A0A077ZET6_TRITR Loading...

DNA-directed DNA polymerase

AlphaFold DB , UniProt , Accession A0A077ZET6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 582 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
1M45.5Very low79.6Confident243 Ų243100.2 Ų100.2100%1.19748%0.481SS*.  0133.20-73.7176.1-171.500107.1Y3M1-Y3 PolarHBondContact O-N 2.6Å
2A60.7Low80.7Confident91 Ų9193.5 Ų93.575%0.75245%0.452SS*.  trans-60.5131.2175.500000109.1Q4A2-Q4 PolarHBondContact O-N 2.93Å
3Y74.1Confident81.6Confident152 Ų15290.8 Ų90.860%0.59644%0.438SS*.  trans-54.9124.9174.5-177.2-95.9000109.2M1 D222M1-Y3 PolarHBondContact O-N 2.6Å; Y3-D222 PolarHBondContact OH-OD1 2.99Å; Y3-D222 PolarHBondContact OH-OD2 2.91Å
4Q79.2Confident82.6Confident110 Ų11091.9 Ų91.951%0.51444%0.436SS..  trans-111122.8174.5-68.1-171.1-2.400108A2 V9A2-Q4 PolarHBondContact O-N 2.93Å; Q4-V9 HydrophobicContact CB-CG2 3.57Å
5A86.8Confident83.4Confident22 Ų2285.9 Ų85.918%0.18241%0.407CS..  trans-55.3141.2177.700000111.4Y7 R8 V9 D222A5-Y7 VanDerWaalsContact C-N 3.26Å; A5-Y7 HydrophobicContact CB-CD1 3.66Å; A5-Y7 HydrophobicContact CB-CE1 3.39Å; A5-Y7 PolarHBondContact O-N 3.19Å; A5-Y7 VanDerWaalsContact O-N 3.15Å; A5-R8 WeakPolarHBondContact O-CB 3.39Å; A5-R8 PolarHBondContact O-N 3.05Å; A5-V9 PolarHBondContact O-N 2.92Å; A5-D222 WeakPolarHBondContact CA-OD2 3.43Å; A5-D222 WeakPolarHBondContact CB-OD2 3.27Å
6L86.9Confident83.9Confident22 Ų2286.2 Ų86.212%0.11541%0.412CS..Hα-helixtrans-53.1-40.5-175.3-76.9177.9000113.7R8 V9 W10 I190 L221 D222 I225L6-R8 PolarHBondContact O-N 2.6Å; L6-R8 VanDerWaalsContact O-N 3.13Å; L6-V9 PolarHBondContact O-N 3.35Å; L6-W10 WeakPolarHBondContact O-CB 3.3Å; L6-W10 PolarHBondContact O-N 2.91Å; L6-I190 HydrophobicContact CD2-CG2 4.31Å; L6-L221 HydrophobicContact CD1-CD2 4.15Å; L6-L221 HydrophobicContact CD1-CG 4.19Å; L6-D222 HydrophobicContact CB-CB 4.4Å; L6-D222 HydrophobicContact CD1-CB 4.28Å; L6-D222 HydrophobicContact CG-CB 4.41Å; L6-D222 WeakPolarHBondContact CG-OD1 3.39Å; L6-D222 PolarHBondContact N-OD1 3.49Å; L6-I225 HydrophobicContact CD1-CD1 3.46Å; L6-I225 VanDerWaalsContact CD1-CD1 3.46Å
7Y85.9Confident84.4Confident99 Ų9983.9 Ų83.939%0.38840%0.403SS..Hα-helixtrans-63.4-20.5-179.876.3-94.7000113.6A5 R215A5-Y7 VanDerWaalsContact C-N 3.26Å; A5-Y7 HydrophobicContact CB-CD1 3.66Å; A5-Y7 HydrophobicContact CB-CE1 3.39Å; A5-Y7 PolarHBondContact O-N 3.19Å; A5-Y7 VanDerWaalsContact O-N 3.15Å; Y7-R215 HydrophobicContact CD2-CG 4.34Å; Y7-R215 HydrophobicContact CG-CG 4.4Å
8R87Confident84.9Confident173 Ų17380.1 Ų80.165%0.65339%0.385SS*.Hα-helixtrans-85.8-45.2176.1-172.1176-178.1169.51.2111A5 L6A5-R8 WeakPolarHBondContact O-CB 3.39Å; A5-R8 PolarHBondContact O-N 3.05Å; L6-R8 PolarHBondContact O-N 2.6Å; L6-R8 VanDerWaalsContact O-N 3.13Å
9V87.8Confident85.3Confident75 Ų7577.5 Ų77.546%0.45537%0.374SS..Hα-helixtrans-65.4-46.5179.2179.70000110.8Q4 A5 L6 R11Q4-V9 HydrophobicContact CB-CG2 3.57Å; A5-V9 PolarHBondContact O-N 2.92Å; L6-V9 PolarHBondContact O-N 3.35Å; V9-R11 VanDerWaalsContact C-N 3.3Å; V9-R11 PolarHBondContact O-N 3.17Å
10W90.2Very high85.6Confident59 Ų5974.6 Ų74.622%0.22337%0.366CS..THydrogen-bonded Turntrans-92.216.8-175.4-68.799.6000114.1L6 S12 Y189 I190 Q193 L218L6-W10 WeakPolarHBondContact O-CB 3.3Å; L6-W10 PolarHBondContact O-N 2.91Å; W10-S12 PolarHBondContact O-N 2.97Å; W10-Y189 HydrophobicContact CH2-CE1 4.42Å; W10-Y189 HydrophobicContact CZ3-CD1 4.45Å; W10-Y189 AromaticContact CZ3-CE1 3.83Å; W10-Y189 HydrophobicContact CZ3-CE1 3.83Å; W10-I190 HydrophobicContact CB-CD1 3.88Å; W10-I190 HydrophobicContact CB-CG1 4.41Å; W10-I190 HydrophobicContact CD2-CB 4.41Å; W10-I190 HydrophobicContact CD2-CD1 4.12Å; W10-I190 HydrophobicContact CD2-CG1 3.65Å; W10-I190 HydrophobicContact CD2-CG2 4.14Å; W10-I190 HydrophobicContact CE3-CD1 4.47Å; W10-I190 HydrophobicContact CE3-CG1 3.85Å; W10-I190 HydrophobicContact CG-CD1 3.85Å; W10-I190 HydrophobicContact CG-CG1 3.9Å; W10-I190 HydrophobicContact CG-CG2 4.15Å; W10-I190 HydrophobicContact CZ2-CG1 4.46Å; W10-I190 HydrophobicContact CZ2-CG2 4.23Å; W10-I190 HydrophobicContact CZ3-CG1 4.36Å; W10-Q193 HydrophobicContact CH2-CB 3.52Å; W10-Q193 HydrophobicContact CH2-CG 3.79Å; W10-Q193 HydrophobicContact CZ2-CB 3.83Å; W10-L218 HydrophobicContact CB-CD1 4.31Å
11R91.3Very high86Confident56 Ų5671.4 Ų71.421%0.21135%0.35CS..  trans-60.7123.9174.1-170.6175.5-175126-9.8108.9V9 Q13 T52 S53V9-R11 VanDerWaalsContact C-N 3.3Å; V9-R11 PolarHBondContact O-N 3.17Å; R11-Q13 WeakPolarHBondContact O-CG 3.43Å; R11-Q13 PolarHBondContact O-N 3.41Å; R11-Q13 PolarHBondContact O-NE2 3.26Å; R11-T52 VanDerWaalsContact NH2-CB 3.31Å; R11-T52 VanDerWaalsContact NH2-CG2 3.35Å; R11-T52 PolarHBondContact NH2-O 3.34Å; R11-S53 PolarHBondContact NE-OG 3.27Å
12S93.2Very high88.2Confident20 Ų2066 Ų6614%0.1432%0.322CS..  trans-46.8128.5179.7-55.50000111.9W10 D17W10-S12 PolarHBondContact O-N 2.97Å; S12-D17 PolarHBondContact OG-O 3.19Å
13Q92.5Very high89.8Confident58 Ų5865.2 Ų65.227%0.27132%0.316SS..  trans-107.4-15.8-178.6-60-59.7-37.900112.3R11 D17 N74R11-Q13 WeakPolarHBondContact O-CG 3.43Å; R11-Q13 PolarHBondContact O-N 3.41Å; R11-Q13 PolarHBondContact O-NE2 3.26Å; Q13-D17 PolarHBondContact N-OD2 2.79Å; Q13-D17 VanDerWaalsContact N-OD2 3.08Å; Q13-N74 PolarHBondContact O-ND2 3.43Å; Q13-N74 PolarHBondContact O-OD1 3.03Å
14R94.8Very high90.8Very high107 Ų10758.8 Ų58.840%0.40429%0.292SS..SBendtrans-126.7160.4176.4-65.5178.458.8157.4-6.9110.6D16 D17 I57 E71 N74R14-D16 IonicContact CZ-OD2 2.78Å; R14-D16 IonicContact NE-OD2 2.74Å; R14-D16 IonicContact NH2-OD2 3.56Å; R14-D16 PolarHBondContact NH2-OD2 3.1Å; R14-D16 PolarHBondContact O-N 3.35Å; R14-D17 PolarHBondContact N-OD2 3.48Å; R14-D17 WeakPolarHBondContact O-CB 3.39Å; R14-D17 PolarHBondContact O-N 2.75Å; R14-D17 VanDerWaalsContact O-N 3.14Å; R14-I57 VanDerWaalsContact O-CD1 3.24Å; R14-I57 WeakPolarHBondContact O-CD1 3.31Å; R14-E71 WeakPolarHBondContact CA-OE2 3.29Å; R14-E71 WeakPolarHBondContact CB-OE2 3.47Å; R14-N74 VanDerWaalsContact CG-ND2 3.34Å; R14-N74 WeakPolarHBondContact CG-ND2 3.43Å
15F94.3Very high91.5Very high1 Ų154.3 Ų54.30%0.00427%0.272CS..G310 helixtrans-66.8-32.8174.4-67.5-74000110.8D17 L18 T25 L28 K29 I32 I57 F58 A61 G70 E71F15-D17 PolarHBondContact O-N 3.4Å; F15-L18 HydrophobicContact CD1-CD1 3.91Å; F15-L18 WeakPolarHBondContact O-CB 3.43Å; F15-L18 PolarHBondContact O-N 2.94Å; F15-T25 HydrophobicContact CB-CG2 3.99Å; F15-T25 HydrophobicContact CD1-CG2 4.28Å; F15-T25 WeakPolarHBondContact O-CG2 3.22Å; F15-L28 HydrophobicContact CD1-CD1 4.41Å; F15-L28 HydrophobicContact CE1-CB 3.92Å; F15-L28 HydrophobicContact CE1-CD1 3.61Å; F15-L28 HydrophobicContact CE1-CG 4.42Å; F15-L28 HydrophobicContact CZ-CB 3.89Å; F15-L28 HydrophobicContact CZ-CD1 4.23Å; F15-K29 HydrophobicContact CB-CD 4.13Å; F15-K29 HydrophobicContact CB-CG 4.29Å; F15-K29 HydrophobicContact CD2-CD 4.43Å; F15-K29 HydrophobicContact CD2-CG 3.75Å; F15-K29 HydrophobicContact CE2-CG 4.36Å; F15-K29 HydrophobicContact CG-CG 4.22Å; F15-I32 HydrophobicContact CE2-CD1 3.74Å; F15-I32 HydrophobicContact CZ-CD1 4.06Å; F15-I57 HydrophobicContact CB-CG2 4.39Å; F15-I57 HydrophobicContact CD1-CB 4.36Å; F15-I57 HydrophobicContact CD1-CG2 3.7Å; F15-I57 HydrophobicContact CD2-CG2 3.59Å; F15-I57 HydrophobicContact CE1-CB 4.23Å; F15-I57 HydrophobicContact CE1-CG2 3.8Å; F15-I57 HydrophobicContact CE2-CG2 3.71Å; F15-I57 HydrophobicContact CG-CG2 3.6Å; F15-I57 HydrophobicContact CZ-CB 4.46Å; F15-I57 HydrophobicContact CZ-CG2 3.82Å; F15-F58 HydrophobicContact CE1-CB 4.38Å; F15-F58 HydrophobicContact CZ-CB 3.93Å; F15-F58 HydrophobicContact CZ-CD2 4.21Å; F15-A61 HydrophobicContact CE2-CB 3.99Å; F15-G70 WeakPolarHBondContact CE2-O 3.36Å; F15-E71 VanDerWaalsContact CB-OE1 3.29Å; F15-E71 WeakPolarHBondContact CB-OE1 3.27Å; F15-E71 PolarHBondContact N-OE1 2.87Å; F15-E71 PolarHBondContact N-OE2 3.03Å
16D92.8Very high91.9Very high91 Ų9159.8 Ų59.849%0.48729%0.291SS..G310 helixtrans-60-22.6173.5-59.3-34.2000113.1R14 L18 K29 E71R14-D16 IonicContact CZ-OD2 2.78Å; R14-D16 IonicContact NE-OD2 2.74Å; R14-D16 IonicContact NH2-OD2 3.56Å; R14-D16 PolarHBondContact NH2-OD2 3.1Å; R14-D16 PolarHBondContact O-N 3.35Å; D16-L18 VanDerWaalsContact C-N 3.33Å; D16-K29 IonicContact OD1-NZ 2.79Å; D16-K29 PolarHBondContact OD1-NZ 3.41Å; D16-K29 IonicContact OD2-NZ 3.99Å; D16-E71 VanDerWaalsContact CG-OE1 3.23Å; D16-E71 PolarHBondContact N-OE1 3.25Å
17D92.2Very high92.3Very high48 Ų4861.7 Ų61.726%0.25730%0.304SS..G310 helixtrans-84.1-5.1176.2-59.2-38.2000113.2S12 Q13 R14 F15 V19S12-D17 PolarHBondContact OG-O 3.19Å; Q13-D17 PolarHBondContact N-OD2 2.79Å; Q13-D17 VanDerWaalsContact N-OD2 3.08Å; R14-D17 PolarHBondContact N-OD2 3.48Å; R14-D17 WeakPolarHBondContact O-CB 3.39Å; R14-D17 PolarHBondContact O-N 2.75Å; R14-D17 VanDerWaalsContact O-N 3.14Å; F15-D17 PolarHBondContact O-N 3.4Å; D17-V19 PolarHBondContact O-N 3.42Å
18L93.1Very high92.7Very high14 Ų1457 Ų577%0.07329%0.286CS..  trans-83.7111.9-180-71169.4000110.3F15 D16 T25 A54 I57F15-L18 HydrophobicContact CD1-CD1 3.91Å; F15-L18 WeakPolarHBondContact O-CB 3.43Å; F15-L18 PolarHBondContact O-N 2.94Å; D16-L18 VanDerWaalsContact C-N 3.33Å; L18-T25 HydrophobicContact CB-CG2 3.92Å; L18-T25 HydrophobicContact CD1-CG2 3.81Å; L18-T25 HydrophobicContact CG-CG2 4.49Å; L18-A54 HydrophobicContact CD1-CB 3.75Å; L18-I57 HydrophobicContact CD1-CD1 3.9Å; L18-I57 HydrophobicContact CD2-CD1 4.1Å; L18-I57 HydrophobicContact CG-CD1 3.87Å
19V92.8Very high93.1Very high31 Ų3150.2 Ų50.219%0.18826%0.261CS..THydrogen-bonded Turntrans-77.6127.2-175.1-173.60000111.2D17 Q21 I178 A182 R186D17-V19 PolarHBondContact O-N 3.42Å; V19-Q21 PolarHBondContact O-N 2.88Å; V19-I178 HydrophobicContact CB-CG2 4.35Å; V19-I178 HydrophobicContact CG1-CG2 3.69Å; V19-A182 HydrophobicContact CG1-CB 3.61Å; V19-R186 HydrophobicContact CG2-CB 4.03Å; V19-R186 HydrophobicContact CG2-CG 3.88Å
20G90.6Very high93.5Very high20 Ų2049.4 Ų49.421%0.20625%0.254CS..THydrogen-bonded Turntrans73.718171.100000115.8E22G20-E22 WeakPolarHBondContact CA-OE1 3.47Å; G20-E22 PolarHBondContact N-OE1 3.15Å
21Q93.7Very high93.6Very high7 Ų747.2 Ų47.23%0.03325%0.249CC..  trans-123.732.9-177.9-52.1-58.8-28.900112.9V19 A23 I24 T25 F175 K176V19-Q21 PolarHBondContact O-N 2.88Å; Q21-A23 VanDerWaalsContact C-N 3.3Å; Q21-A23 PolarHBondContact O-N 3.25Å; Q21-I24 HydrophobicContact CB-CB 4.49Å; Q21-I24 PolarHBondContact O-N 2.85Å; Q21-T25 HydrophobicContact CB-CG2 4.47Å; Q21-T25 WeakPolarHBondContact O-CG2 3.18Å; Q21-T25 PolarHBondContact O-N 3.19Å; Q21-T25 PolarHBondContact O-OG1 2.8Å; Q21-F175 HydrophobicContact CG-CD1 3.91Å; Q21-F175 HydrophobicContact CG-CE1 4.33Å; Q21-K176 PolarHBondContact NE2-O 2.94Å; Q21-K176 VanDerWaalsContact OE1-N 3.16Å
22E93.1Very high93.7Very high129 Ų12945.6 Ų45.660%0.60324%0.244SC*.Hα-helixtrans-58.5-37.2-168.3-58.476.6-16700113.3G20 T25 K26G20-E22 WeakPolarHBondContact CA-OE1 3.47Å; G20-E22 PolarHBondContact N-OE1 3.15Å; E22-T25 VanDerWaalsContact CA-OG1 3.29Å; E22-T25 WeakPolarHBondContact CA-OG1 3Å; E22-T25 PolarHBondContact O-OG1 2.84Å; E22-K26 VanDerWaalsContact O-CB 3.23Å; E22-K26 WeakPolarHBondContact O-CB 3.3Å; E22-K26 PolarHBondContact O-N 2.93Å
23A93.5Very high93.7Very high76 Ų7649.1 Ų49.163%0.62826%0.258SS*.Hα-helixtrans-68.1-39.3178.400000112.2Q21 T27Q21-A23 VanDerWaalsContact C-N 3.3Å; Q21-A23 PolarHBondContact O-N 3.25Å; A23-T27 WeakPolarHBondContact O-CB 3.07Å; A23-T27 PolarHBondContact O-N 2.84Å; A23-T27 PolarHBondContact O-OG1 3.14Å
24I94.8Very high93.7Very high17 Ų1751.5 Ų51.59%0.08727%0.269CS..Hα-helixtrans-71.2-48179.2-63176.1000109.3Q21 K26 T27 L28 F173 F175Q21-I24 HydrophobicContact CB-CB 4.49Å; Q21-I24 PolarHBondContact O-N 2.85Å; I24-K26 PolarHBondContact O-N 3.48Å; I24-T27 PolarHBondContact O-N 2.89Å; I24-T27 VanDerWaalsContact O-N 3.14Å; I24-L28 HydrophobicContact CG2-CD1 3.89Å; I24-L28 HydrophobicContact CG2-CG 4.34Å; I24-L28 WeakPolarHBondContact O-CG 3.24Å; I24-L28 PolarHBondContact O-N 3.44Å; I24-F173 HydrophobicContact CB-CD1 4.38Å; I24-F173 HydrophobicContact CG1-CD1 4.28Å; I24-F173 HydrophobicContact CG2-CB 4.33Å; I24-F173 HydrophobicContact CG2-CD1 3.76Å; I24-F173 HydrophobicContact CG2-CE1 4.47Å; I24-F173 HydrophobicContact CG2-CG 4.32Å; I24-F175 HydrophobicContact CD1-CB 4.44Å; I24-F175 HydrophobicContact CD1-CD1 4.2Å; I24-F175 HydrophobicContact CD1-CD2 3.89Å; I24-F175 HydrophobicContact CD1-CE1 4.41Å; I24-F175 HydrophobicContact CD1-CE2 4.1Å; I24-F175 HydrophobicContact CD1-CG 3.93Å; I24-F175 HydrophobicContact CD1-CZ 4.35Å; I24-F175 HydrophobicContact CG2-CE2 4.3Å; I24-F175 HydrophobicContact CG2-CZ 4Å
25T94.6Very high93.4Very high16 Ų1653.5 Ų53.510%0.09828%0.283CS..Hα-helixtrans-58.8-46.7179.555.90000111.3F15 L18 Q21 E22 T27 L28 K29F15-T25 HydrophobicContact CB-CG2 3.99Å; F15-T25 HydrophobicContact CD1-CG2 4.28Å; F15-T25 WeakPolarHBondContact O-CG2 3.22Å; L18-T25 HydrophobicContact CB-CG2 3.92Å; L18-T25 HydrophobicContact CD1-CG2 3.81Å; L18-T25 HydrophobicContact CG-CG2 4.49Å; Q21-T25 HydrophobicContact CB-CG2 4.47Å; Q21-T25 WeakPolarHBondContact O-CG2 3.18Å; Q21-T25 PolarHBondContact O-N 3.19Å; Q21-T25 PolarHBondContact O-OG1 2.8Å; E22-T25 VanDerWaalsContact CA-OG1 3.29Å; E22-T25 WeakPolarHBondContact CA-OG1 3Å; E22-T25 PolarHBondContact O-OG1 2.84Å; T25-T27 VanDerWaalsContact C-N 3.32Å; T25-T27 PolarHBondContact O-N 3.19Å; T25-L28 PolarHBondContact O-N 3.44Å; T25-K29 WeakPolarHBondContact O-CB 3.47Å; T25-K29 VanDerWaalsContact O-CG 3.31Å; T25-K29 WeakPolarHBondContact O-CG 3.27Å; T25-K29 PolarHBondContact O-N 2.97Å
26K94.8Very high93.3Very high137 Ų13760.5 Ų60.560%0.59631%0.314SS*.Hα-helixtrans-58.7-42.7175.7-174.9174.2-177.4175.70112.3E22 I24 N30E22-K26 VanDerWaalsContact O-CB 3.23Å; E22-K26 WeakPolarHBondContact O-CB 3.3Å; E22-K26 PolarHBondContact O-N 2.93Å; I24-K26 PolarHBondContact O-N 3.48Å; K26-N30 WeakPolarHBondContact O-CB 3.35Å; K26-N30 PolarHBondContact O-N 3.35Å; K26-N30 PolarHBondContact O-ND2 3.04Å; K26-N30 PolarHBondContact O-OD1 2.88Å
27T94.6Very high93.1Very high62 Ų6257.9 Ų57.938%0.3830%0.301SS..Hα-helixtrans-66.4-43.2-180-56.30000111.6A23 I24 T25 N30 A31 F173A23-T27 WeakPolarHBondContact O-CB 3.07Å; A23-T27 PolarHBondContact O-N 2.84Å; A23-T27 PolarHBondContact O-OG1 3.14Å; I24-T27 PolarHBondContact O-N 2.89Å; I24-T27 VanDerWaalsContact O-N 3.14Å; T25-T27 VanDerWaalsContact C-N 3.32Å; T25-T27 PolarHBondContact O-N 3.19Å; T27-N30 PolarHBondContact O-N 2.96Å; T27-A31 WeakPolarHBondContact O-CB 3.47Å; T27-A31 PolarHBondContact O-N 3.39Å; T27-F173 HydrophobicContact CG2-CE1 3.67Å; T27-F173 HydrophobicContact CG2-CZ 3.96Å
28L95.6Very high93.1Very high0 Ų057 Ų570%030%0.298CS..Hα-helixtrans-65.8-46.3177.1-67.5175.2000111.5F15 I24 T25 N30 A31 I32 Y41 F43 F58 F173F15-L28 HydrophobicContact CD1-CD1 4.41Å; F15-L28 HydrophobicContact CE1-CB 3.92Å; F15-L28 HydrophobicContact CE1-CD1 3.61Å; F15-L28 HydrophobicContact CE1-CG 4.42Å; F15-L28 HydrophobicContact CZ-CB 3.89Å; F15-L28 HydrophobicContact CZ-CD1 4.23Å; I24-L28 HydrophobicContact CG2-CD1 3.89Å; I24-L28 HydrophobicContact CG2-CG 4.34Å; I24-L28 WeakPolarHBondContact O-CG 3.24Å; I24-L28 PolarHBondContact O-N 3.44Å; T25-L28 PolarHBondContact O-N 3.44Å; L28-N30 VanDerWaalsContact C-N 3.33Å; L28-N30 PolarHBondContact O-N 3Å; L28-A31 PolarHBondContact O-N 2.87Å; L28-I32 WeakPolarHBondContact O-CD1 3.45Å; L28-I32 VanDerWaalsContact O-CG1 3.27Å; L28-I32 WeakPolarHBondContact O-CG1 3.36Å; L28-I32 PolarHBondContact O-N 3.45Å; L28-Y41 HydrophobicContact CD2-CD1 4.34Å; L28-Y41 HydrophobicContact CD2-CE1 4.1Å; L28-F43 HydrophobicContact CD1-CE1 4.5Å; L28-F43 HydrophobicContact CD1-CZ 3.95Å; L28-F43 HydrophobicContact CD2-CE1 4.42Å; L28-F43 HydrophobicContact CD2-CZ 4.26Å; L28-F58 HydrophobicContact CB-CD2 4.48Å; L28-F58 HydrophobicContact CD2-CD2 4.05Å; L28-F58 HydrophobicContact CD2-CE2 4.22Å; L28-F173 HydrophobicContact CD2-CE1 4.2Å; L28-F173 HydrophobicContact CD2-CE2 4.12Å; L28-F173 HydrophobicContact CD2-CZ 3.83Å; L28-F173 HydrophobicContact CG-CE1 4.38Å; L28-F173 HydrophobicContact CG-CZ 4.48Å
29K95.7Very high93.1Very high31 Ų3159.2 Ų59.214%0.13531%0.308CS..Hα-helixtrans-55.7-47.8174.7-72.6173.376.5147.90111.2F15 D16 T25 A31 I32 Q33 D69 E71F15-K29 HydrophobicContact CB-CD 4.13Å; F15-K29 HydrophobicContact CB-CG 4.29Å; F15-K29 HydrophobicContact CD2-CD 4.43Å; F15-K29 HydrophobicContact CD2-CG 3.75Å; F15-K29 HydrophobicContact CE2-CG 4.36Å; F15-K29 HydrophobicContact CG-CG 4.22Å; D16-K29 IonicContact OD1-NZ 2.79Å; D16-K29 PolarHBondContact OD1-NZ 3.41Å; D16-K29 IonicContact OD2-NZ 3.99Å; T25-K29 WeakPolarHBondContact O-CB 3.47Å; T25-K29 VanDerWaalsContact O-CG 3.31Å; T25-K29 WeakPolarHBondContact O-CG 3.27Å; T25-K29 PolarHBondContact O-N 2.97Å; K29-A31 PolarHBondContact O-N 3.4Å; K29-I32 PolarHBondContact O-N 3.22Å; K29-Q33 VanDerWaalsContact O-CG 3.3Å; K29-Q33 WeakPolarHBondContact O-CG 3.48Å; K29-Q33 PolarHBondContact O-N 3.45Å; K29-D69 VanDerWaalsContact CE-O 3.24Å; K29-D69 WeakPolarHBondContact CE-O 3.35Å; K29-E71 WeakPolarHBondContact CD-OE1 3.4Å; K29-E71 VanDerWaalsContact CE-OE1 3.32Å; K29-E71 WeakPolarHBondContact CE-OE1 3.36Å; K29-E71 IonicContact NZ-OE1 3.25Å; K29-E71 PolarHBondContact NZ-OE1 3.45Å
30N94.6Very high93.3Very high57 Ų5757.8 Ų57.831%0.30530%0.299SS..Hα-helixtrans-63-41178.2-71.5-13.9000112.7K26 T27 L28 I32 Q33 Q34K26-N30 WeakPolarHBondContact O-CB 3.35Å; K26-N30 PolarHBondContact O-N 3.35Å; K26-N30 PolarHBondContact O-ND2 3.04Å; K26-N30 PolarHBondContact O-OD1 2.88Å; T27-N30 PolarHBondContact O-N 2.96Å; L28-N30 VanDerWaalsContact C-N 3.33Å; L28-N30 PolarHBondContact O-N 3Å; N30-I32 VanDerWaalsContact C-N 3.3Å; N30-I32 PolarHBondContact O-N 3.17Å; N30-Q33 PolarHBondContact O-N 2.9Å; N30-Q34 WeakPolarHBondContact O-CB 3.43Å; N30-Q34 VanDerWaalsContact O-CG 3.29Å; N30-Q34 WeakPolarHBondContact O-CG 3.3Å; N30-Q34 PolarHBondContact O-N 2.97Å
31A93.7Very high93.6Very high14 Ų1456.8 Ų56.812%0.11629%0.29CS..Hα-helixtrans-62.2-39.4177.900000111.7T27 L28 K29 Q35 K36T27-A31 WeakPolarHBondContact O-CB 3.47Å; T27-A31 PolarHBondContact O-N 3.39Å; L28-A31 PolarHBondContact O-N 2.87Å; K29-A31 PolarHBondContact O-N 3.4Å; A31-Q35 PolarHBondContact O-N 3.4Å; A31-K36 PolarHBondContact O-N 2.91Å
32I93.7Very high93.8Very high21 Ų2156.5 Ų56.511%0.10829%0.288CS..Hα-helixtrans-67.4-50.5176.5-62.7161.3000110.5F15 L28 K29 N30 Q34 Q35 F58 A61 I62F15-I32 HydrophobicContact CE2-CD1 3.74Å; F15-I32 HydrophobicContact CZ-CD1 4.06Å; L28-I32 WeakPolarHBondContact O-CD1 3.45Å; L28-I32 VanDerWaalsContact O-CG1 3.27Å; L28-I32 WeakPolarHBondContact O-CG1 3.36Å; L28-I32 PolarHBondContact O-N 3.45Å; K29-I32 PolarHBondContact O-N 3.22Å; N30-I32 VanDerWaalsContact C-N 3.3Å; N30-I32 PolarHBondContact O-N 3.17Å; I32-Q34 VanDerWaalsContact C-N 3.31Å; I32-Q34 PolarHBondContact O-N 2.74Å; I32-Q35 PolarHBondContact O-N 3.4Å; I32-Q35 VanDerWaalsContact O-N 3.09Å; I32-F58 HydrophobicContact CD1-CD2 3.88Å; I32-F58 HydrophobicContact CD1-CE2 4.08Å; I32-F58 HydrophobicContact CG1-CD2 4.25Å; I32-F58 HydrophobicContact CG1-CE2 3.92Å; I32-A61 HydrophobicContact CD1-CB 3.62Å; I32-I62 HydrophobicContact CD1-CG2 4.33Å; I32-I62 HydrophobicContact CG1-CG2 3.85Å
33Q93.1Very high94Very high94 Ų9450.3 Ų50.344%0.43926%0.259SS..Hα-helixtrans-58.4-42.1179.6-72176.91100112.4K29 N30 Q35 D69K29-Q33 VanDerWaalsContact O-CG 3.3Å; K29-Q33 WeakPolarHBondContact O-CG 3.48Å; K29-Q33 PolarHBondContact O-N 3.45Å; N30-Q33 PolarHBondContact O-N 2.9Å; Q33-Q35 VanDerWaalsContact C-N 3.26Å; Q33-Q35 PolarHBondContact O-N 3.25Å; Q33-D69 PolarHBondContact NE2-O 3.25Å
34Q92.8Very high94.1Very high109 Ų10946.9 Ų46.951%0.50923%0.23SC..THydrogen-bonded Turntrans-82.8-1.1-179-64.3179.42500113.4N30 I32 K36N30-Q34 WeakPolarHBondContact O-CB 3.43Å; N30-Q34 VanDerWaalsContact O-CG 3.29Å; N30-Q34 WeakPolarHBondContact O-CG 3.3Å; N30-Q34 PolarHBondContact O-N 2.97Å; I32-Q34 VanDerWaalsContact C-N 3.31Å; I32-Q34 PolarHBondContact O-N 2.74Å; Q34-K36 HydrophobicContact CB-CB 4.42Å; Q34-K36 HydrophobicContact CB-CD 4.2Å; Q34-K36 HydrophobicContact CB-CG 4.16Å; Q34-K36 PolarHBondContact O-N 3.14Å
35Q88.4Confident94.1Very high149 Ų14946.5 Ų46.570%0.69623%0.231SC*.THydrogen-bonded Turntrans52.834.4-173.3-55.8-177.71.800112.9A31 I32 Q33A31-Q35 PolarHBondContact O-N 3.4Å; I32-Q35 PolarHBondContact O-N 3.4Å; I32-Q35 VanDerWaalsContact O-N 3.09Å; Q33-Q35 VanDerWaalsContact C-N 3.26Å; Q33-Q35 PolarHBondContact O-N 3.25Å
36K90.9Very high94Very high148 Ų14847.8 Ų47.864%0.64324%0.24SC*.  trans-107.646.9178.4-70.6-179.6-177170.10110.6A31 Q34A31-K36 PolarHBondContact O-N 2.91Å; Q34-K36 HydrophobicContact CB-CB 4.42Å; Q34-K36 HydrophobicContact CB-CD 4.2Å; Q34-K36 HydrophobicContact CB-CG 4.16Å; Q34-K36 PolarHBondContact O-N 3.14Å
37T89.7Confident93.9Very high35 Ų3548.3 Ų48.322%0.21524%0.238CC..  trans-75.4138.4176.648.10000110.6Y41 F58 I62T37-Y41 VanDerWaalsContact CA-OH 3.26Å; T37-Y41 WeakPolarHBondContact CA-OH 3.37Å; T37-F58 HydrophobicContact CG2-CE2 4.33Å; T37-F58 HydrophobicContact CG2-CZ 4.04Å; T37-I62 HydrophobicContact CG2-CG2 4.14Å
38S92.1Very high93.7Very high29 Ų2945.9 Ų45.920%0.20323%0.225CC..  trans-78.2159.5172.5-176.10000110.5A40 Y41S38-A40 VanDerWaalsContact C-N 3.27Å; S38-A40 PolarHBondContact OG-N 3.26Å; S38-A40 PolarHBondContact OG-O 3.1Å; S38-Y41 PolarHBondContact N-OH 2.94Å; S38-Y41 VanDerWaalsContact O-CE2 3.27Å; S38-Y41 WeakPolarHBondContact O-CE2 3.32Å
39H92.7Very high93.7Very high62 Ų6246 Ų4629%0.28723%0.226SC..SBendtrans-71.7-23170.759.6-82.5000112.3P146 I151 F152 R169H39-P146 HydrophobicContact CB-CB 3.51Å; H39-P146 HydrophobicContact CB-CG 3.8Å; H39-I151 WeakPolarHBondContact O-CA 3.17Å; H39-F152 PolarHBondContact O-N 3.5Å; H39-R169 PolarHBondContact NE2-O 3.24Å
40A95.9Very high93.6Very high0 Ų045.3 Ų45.30%023%0.227CC..EExtended strand (participates in β ladder)trans-147.3138.8-178.600000113.7S38 L143 F152 T170 Q171S38-A40 VanDerWaalsContact C-N 3.27Å; S38-A40 PolarHBondContact OG-N 3.26Å; S38-A40 PolarHBondContact OG-O 3.1Å; A40-L143 HydrophobicContact CB-CD2 3.58Å; A40-F152 CarbonylContact C-O 3.52Å; A40-F152 WeakPolarHBondContact CA-O 3.38Å; A40-F152 HydrophobicContact CB-CB 4.23Å; A40-T170 HydrophobicContact CB-CG2 3.95Å; A40-Q171 PolarHBondContact O-N 2.95Å
41Y97.6Very high93.6Very high0 Ų043 Ų430%021%0.214CC..EExtended strand (participates in β ladder)trans-125.6137.3-179-67.8-89.4000110.2L28 T37 S38 F43 F58 I151 F152 L154 Q171 F173L28-Y41 HydrophobicContact CD2-CD1 4.34Å; L28-Y41 HydrophobicContact CD2-CE1 4.1Å; T37-Y41 VanDerWaalsContact CA-OH 3.26Å; T37-Y41 WeakPolarHBondContact CA-OH 3.37Å; S38-Y41 PolarHBondContact N-OH 2.94Å; S38-Y41 VanDerWaalsContact O-CE2 3.27Å; S38-Y41 WeakPolarHBondContact O-CE2 3.32Å; Y41-F43 HydrophobicContact CD1-CE1 4.22Å; Y41-F43 HydrophobicContact CG-CE1 4.39Å; Y41-F58 AromaticContact CD2-CE1 4Å; Y41-F58 HydrophobicContact CD2-CE1 4Å; Y41-F58 HydrophobicContact CD2-CZ 4.15Å; Y41-F58 HydrophobicContact CE1-CZ 4.4Å; Y41-F58 AromaticContact CE2-CE1 3.68Å; Y41-F58 HydrophobicContact CE2-CE1 3.68Å; Y41-F58 HydrophobicContact CE2-CE2 4.37Å; Y41-F58 AromaticContact CE2-CZ 3.42Å; Y41-F58 HydrophobicContact CE2-CZ 3.42Å; Y41-F58 VanDerWaalsContact CE2-CZ 3.42Å; Y41-F58 AromaticContact CZ-CZ 3.57Å; Y41-I151 HydrophobicContact CD2-CG2 3.89Å; Y41-I151 HydrophobicContact CE2-CG2 3.95Å; Y41-F152 PolarHBondContact N-O 3.47Å; Y41-L154 PolarHBondContact O-N 3.29Å; Y41-Q171 WeakPolarHBondContact CA-O 3.44Å; Y41-Q171 HydrophobicContact CD1-CB 4.18Å; Y41-Q171 HydrophobicContact CE1-CB 4.39Å; Y41-Q171 VanDerWaalsContact CE1-OE1 3.28Å; Y41-F173 HydrophobicContact CD1-CD2 4.11Å; Y41-F173 AromaticContact CD1-CE2 3.54Å; Y41-F173 HydrophobicContact CD1-CE2 3.54Å; Y41-F173 HydrophobicContact CD1-CZ 4.47Å; Y41-F173 AromaticContact CE1-CE2 3.85Å; Y41-F173 HydrophobicContact CE1-CE2 3.85Å; Y41-F173 HydrophobicContact CE1-CZ 4.41Å
42L97.3Very high93.6Very high0 Ų042.6 Ų42.60%021%0.21CC..EExtended strand (participates in β ladder)trans-117.3107.2173.1174.763.4000109.9T44 L154 T156 I162 I167 T170 Q171 R172 F173L42-T44 HydrophobicContact CG-CG2 4.49Å; L42-L154 CarbonylContact C-O 3.57Å; L42-L154 WeakPolarHBondContact CA-O 3.36Å; L42-L154 HydrophobicContact CD1-CB 3.98Å; L42-T156 HydrophobicContact CD1-CG2 4.05Å; L42-I162 HydrophobicContact CD1-CD1 3.69Å; L42-I162 HydrophobicContact CD2-CD1 4.41Å; L42-I167 HydrophobicContact CD2-CG1 4.03Å; L42-I167 HydrophobicContact CD2-CG2 4.47Å; L42-T170 HydrophobicContact CB-CG2 4.27Å; L42-T170 WeakPolarHBondContact CB-OG1 3.34Å; L42-Q171 PolarHBondContact N-O 3.13Å; L42-R172 HydrophobicContact CD2-CG 4.46Å; L42-R172 CarbonylContact O-C 3.6Å; L42-R172 WeakPolarHBondContact O-CA 3.24Å; L42-F173 PolarHBondContact O-N 3.32Å
43F98Very high93.6Very high0 Ų042.3 Ų42.30%021%0.21CC..EExtended strand (participates in β ladder)trans-93.6112.2175.6-65.7-4.5000109.1L28 Y41 K51 A54 A55 V153 L154 A155 T156 F173 F175L28-F43 HydrophobicContact CD1-CE1 4.5Å; L28-F43 HydrophobicContact CD1-CZ 3.95Å; L28-F43 HydrophobicContact CD2-CE1 4.42Å; L28-F43 HydrophobicContact CD2-CZ 4.26Å; Y41-F43 HydrophobicContact CD1-CE1 4.22Å; Y41-F43 HydrophobicContact CG-CE1 4.39Å; F43-K51 HydrophobicContact CB-CB 4.26Å; F43-A54 HydrophobicContact CD2-CB 4.42Å; F43-A54 HydrophobicContact CE2-CB 4.09Å; F43-A55 HydrophobicContact CD2-CB 4.14Å; F43-A55 HydrophobicContact CE2-CB 4.05Å; F43-V153 HydrophobicContact CD2-CG1 3.7Å; F43-V153 HydrophobicContact CE2-CG1 3.58Å; F43-V153 HydrophobicContact CG-CG1 4.24Å; F43-V153 HydrophobicContact CZ-CG1 4.01Å; F43-L154 PolarHBondContact N-O 3.2Å; F43-A155 HydrophobicContact CB-CB 4.5Å; F43-A155 CarbonylContact O-C 3.59Å; F43-A155 VanDerWaalsContact O-CA 3.28Å; F43-A155 WeakPolarHBondContact O-CA 3.37Å; F43-T156 PolarHBondContact O-N 3.3Å; F43-F173 HydrophobicContact CD1-CB 3.85Å; F43-F173 HydrophobicContact CD1-CD2 4.03Å; F43-F173 HydrophobicContact CD1-CG 4.24Å; F43-F173 HydrophobicContact CE1-CB 4.19Å; F43-F173 AromaticContact CE1-CD2 3.71Å; F43-F173 HydrophobicContact CE1-CD2 3.71Å; F43-F173 HydrophobicContact CE1-CE2 4.42Å; F43-F173 HydrophobicContact CE1-CG 4.09Å; F43-F175 HydrophobicContact CB-CD2 4.22Å; F43-F175 HydrophobicContact CB-CE2 3.65Å; F43-F175 HydrophobicContact CB-CZ 4.48Å; F43-F175 HydrophobicContact CD1-CE2 4.02Å; F43-F175 HydrophobicContact CD2-CE2 4.05Å; F43-F175 HydrophobicContact CD2-CZ 4.13Å; F43-F175 AromaticContact CG-CE2 3.64Å; F43-F175 HydrophobicContact CG-CE2 3.64Å; F43-F175 HydrophobicContact CG-CZ 4.19Å
44T96.5Very high93.8Very high3 Ų337.9 Ų37.92%0.01819%0.189CC..EExtended strand (participates in β ladder)trans-124.2147.2-175.1160.10000110.2L42 T156 P159 R172 F173 D174 F175L42-T44 HydrophobicContact CG-CG2 4.49Å; T44-T156 WeakPolarHBondContact CA-O 3.42Å; T44-P159 WeakPolarHBondContact OG1-CB 3.47Å; T44-P159 WeakPolarHBondContact OG1-CG 3.38Å; T44-R172 HydrophobicContact CG2-CG 3.76Å; T44-F173 WeakPolarHBondContact CG2-O 3.33Å; T44-F173 PolarHBondContact N-O 3.49Å; T44-D174 WeakPolarHBondContact CG2-OD1 3.44Å; T44-D174 CarbonylContact O-C 3.55Å; T44-D174 WeakPolarHBondContact O-CA 3.27Å; T44-F175 PolarHBondContact O-N 3.45Å
45G94Very high94Very high10 Ų1032.7 Ų32.710%0.10317%0.165CC..  trans151.1175.5175.600000112.4K51 T156 T157G45-K51 PolarHBondContact O-NZ 3.01Å; G45-T156 PolarHBondContact N-O 2.96Å; G45-T157 WeakPolarHBondContact O-CA 3.41Å
46P92.6Very high94.3Very high43 Ų4327.9 Ų27.928%0.27914%0.142SC..SBendtrans-54.9160.6-178.4-25.334.9000113.2T49 K51 F175 R177P46-T49 HydrophobicContact CB-CG2 3.99Å; P46-T49 HydrophobicContact CG-CG2 4.38Å; P46-T49 PolarHBondContact O-OG1 3.41Å; P46-K51 PolarHBondContact O-NZ 2.72Å; P46-F175 WeakPolarHBondContact CD-O 3.32Å; P46-R177 HydrophobicContact CB-CG 4.37Å; P46-R177 HydrophobicContact CG-CG 3.82Å
47R91.5Very high94.5Very high148 Ų14820.9 Ų20.956%0.55811%0.112SC*.THydrogen-bonded Turntrans-60148.5173.9178.9177.2145.2165.9-3.3110.2T49 T157 D216R47-T49 VanDerWaalsContact C-N 3.27Å; R47-T49 PolarHBondContact O-N 3.1Å; R47-T157 HydrophobicContact CB-CG2 4.17Å; R47-D216 IonicContact CZ-OD1 3.92Å; R47-D216 IonicContact NE-OD1 3.26Å; R47-D216 PolarHBondContact NE-OD1 3.02Å; R47-D216 VanDerWaalsContact NE-OD1 3.16Å; R47-D216 IonicContact NE-OD2 3.94Å; R47-D216 IonicContact NH2-OD1 3.75Å; R47-D216 PolarHBondContact NH2-OD1 3.26Å
48G92.2Very high94.9Very high10 Ų1019.2 Ų19.210%0.10310%0.101CC..THydrogen-bonded Turntrans76.5-117300000116.6G50 M214 R215G48-G50 VanDerWaalsContact C-N 3.28Å; G48-G50 PolarHBondContact O-N 3.38Å; G48-M214 PolarHBondContact O-N 3.36Å; G48-R215 PolarHBondContact O-N 3.19Å
49T93.9Very high95.1Very high4 Ų417.9 Ų17.93%0.0259%0.092CC..SBendtrans-79.9-1-178.357.20000115.2P46 R47 F175 K176P46-T49 HydrophobicContact CB-CG2 3.99Å; P46-T49 HydrophobicContact CG-CG2 4.38Å; P46-T49 PolarHBondContact O-OG1 3.41Å; R47-T49 VanDerWaalsContact C-N 3.27Å; R47-T49 PolarHBondContact O-N 3.1Å; T49-F175 WeakPolarHBondContact OG1-CB 3.37Å; T49-K176 VanDerWaalsContact CG2-O 3.26Å; T49-K176 WeakPolarHBondContact CG2-O 3.33Å
50G93.9Very high95.2Very high15 Ų1515.1 Ų15.116%0.1558%0.079CC..SBendtrans1018.617500000116.5G48 T52 S53 A54G48-G50 VanDerWaalsContact C-N 3.28Å; G48-G50 PolarHBondContact O-N 3.38Å; G50-T52 PolarHBondContact O-N 2.99Å; G50-S53 CarbonylContact O-C 3.42Å; G50-S53 WeakPolarHBondContact O-CB 3.42Å; G50-S53 PolarHBondContact O-N 2.89Å; G50-A54 WeakPolarHBondContact O-CB 3.14Å; G50-A54 PolarHBondContact O-N 2.79Å
51K95.4Very high95.2Very high9 Ų915.2 Ų15.24%0.0398%0.08CC..Hα-helixtrans-47.6-60.6179.6-56.9-174.1-62.4-830114F43 G45 P46 S53 A54 A55 A155 T156 T157 F175F43-K51 HydrophobicContact CB-CB 4.26Å; G45-K51 PolarHBondContact O-NZ 3.01Å; P46-K51 PolarHBondContact O-NZ 2.72Å; K51-S53 PolarHBondContact O-N 3.27Å; K51-A54 PolarHBondContact O-N 3.28Å; K51-A55 PolarHBondContact O-N 3.35Å; K51-A155 HydrophobicContact CB-CB 4.27Å; K51-T156 WeakPolarHBondContact CD-O 3.43Å; K51-T156 WeakPolarHBondContact CE-O 3Å; K51-T157 VanDerWaalsContact NZ-CG2 3.33Å; K51-F175 HydrophobicContact CG-CB 4.23Å; K51-F175 HydrophobicContact CG-CD1 4.35Å; K51-F175 HydrophobicContact CG-CD2 3.95Å; K51-F175 HydrophobicContact CG-CE2 4.45Å; K51-F175 HydrophobicContact CG-CG 3.91Å
52T93.5Very high95.1Very high6 Ų616 Ų164%0.0378%0.084CC..Hα-helixtrans-66.3-26.9-179.9-30.50000112R11 G50 K56 E92 D126R11-T52 VanDerWaalsContact NH2-CB 3.31Å; R11-T52 VanDerWaalsContact NH2-CG2 3.35Å; R11-T52 PolarHBondContact NH2-O 3.34Å; G50-T52 PolarHBondContact O-N 2.99Å; T52-K56 WeakPolarHBondContact O-CG 3.22Å; T52-K56 PolarHBondContact O-N 3.11Å; T52-E92 WeakPolarHBondContact CG2-OE1 3.33Å; T52-D126 HydrophobicContact CG2-CB 4.46Å; T52-D126 VanDerWaalsContact CG2-OD2 3.24Å; T52-D126 WeakPolarHBondContact CG2-OD2 3.41Å; T52-D126 PolarHBondContact OG1-OD1 3.3Å; T52-D126 PolarHBondContact OG1-OD2 3.11Å
53S94.4Very high95Very high15 Ų1516.4 Ų16.411%0.1059%0.086CC..Hα-helixtrans-71.9-46.9174.8-59.10000110.8R11 G50 K51 A55 K56 I57R11-S53 PolarHBondContact NE-OG 3.27Å; G50-S53 CarbonylContact O-C 3.42Å; G50-S53 WeakPolarHBondContact O-CB 3.42Å; G50-S53 PolarHBondContact O-N 2.89Å; K51-S53 PolarHBondContact O-N 3.27Å; S53-A55 VanDerWaalsContact C-N 3.27Å; S53-A55 PolarHBondContact O-N 3.42Å; S53-K56 PolarHBondContact O-N 3.13Å; S53-K56 VanDerWaalsContact O-N 3.16Å; S53-I57 WeakPolarHBondContact O-CD1 3.49Å; S53-I57 VanDerWaalsContact O-CG1 3.29Å; S53-I57 WeakPolarHBondContact O-CG1 3.39Å; S53-I57 PolarHBondContact O-N 2.74Å
54A96.6Very high94.9Very high0 Ų016.9 Ų16.90%09%0.09CC..Hα-helixtrans-59.8-37.4174.900000111.8L18 F43 G50 K51 I57 F58 F175L18-A54 HydrophobicContact CD1-CB 3.75Å; F43-A54 HydrophobicContact CD2-CB 4.42Å; F43-A54 HydrophobicContact CE2-CB 4.09Å; G50-A54 WeakPolarHBondContact O-CB 3.14Å; G50-A54 PolarHBondContact O-N 2.79Å; K51-A54 PolarHBondContact O-N 3.28Å; A54-I57 PolarHBondContact O-N 2.76Å; A54-F58 WeakPolarHBondContact O-CB 3.44Å; A54-F58 PolarHBondContact O-N 2.87Å; A54-F175 HydrophobicContact CB-CE1 3.79Å; A54-F175 HydrophobicContact CB-CZ 3.57Å
55A96.3Very high94.7Very high0 Ų021.4 Ų21.40%012%0.119CC..Hα-helixtrans-60.3-45.6174.700000112.2F43 K51 S53 F58 A59 I124 V153F43-A55 HydrophobicContact CD2-CB 4.14Å; F43-A55 HydrophobicContact CE2-CB 4.05Å; K51-A55 PolarHBondContact O-N 3.35Å; S53-A55 VanDerWaalsContact C-N 3.27Å; S53-A55 PolarHBondContact O-N 3.42Å; A55-F58 PolarHBondContact O-N 3.01Å; A55-A59 WeakPolarHBondContact O-CB 3.34Å; A55-A59 PolarHBondContact O-N 3.3Å; A55-I124 HydrophobicContact CB-CD1 4.05Å; A55-I124 HydrophobicContact CB-CG1 4.25Å; A55-I124 HydrophobicContact CB-CG2 3.82Å; A55-V153 HydrophobicContact CB-CB 4.3Å; A55-V153 HydrophobicContact CB-CG1 3.52Å
56K95.1Very high94.7Very high48 Ų4825.5 Ų25.521%0.20914%0.138CC..Hα-helixtrans-67.2-43.4176.5-70.7-172.9179.8-164.50112.4T52 S53 F58 A59 K60 E92 I124T52-K56 WeakPolarHBondContact O-CG 3.22Å; T52-K56 PolarHBondContact O-N 3.11Å; S53-K56 PolarHBondContact O-N 3.13Å; S53-K56 VanDerWaalsContact O-N 3.16Å; K56-F58 VanDerWaalsContact C-N 3.29Å; K56-F58 PolarHBondContact O-N 3.11Å; K56-A59 PolarHBondContact O-N 2.81Å; K56-K60 WeakPolarHBondContact O-CG 3.46Å; K56-K60 PolarHBondContact O-N 3.05Å; K56-E92 WeakPolarHBondContact CE-OE1 3.45Å; K56-E92 WeakPolarHBondContact CE-OE2 3.41Å; K56-E92 IonicContact NZ-OE1 3.67Å; K56-E92 PolarHBondContact NZ-OE1 3.34Å; K56-E92 IonicContact NZ-OE2 3.51Å; K56-E92 PolarHBondContact NZ-OE2 3Å; K56-I124 HydrophobicContact CG-CD1 3.97Å
57I96.2Very high94.6Very high2 Ų225.5 Ų25.51%0.0114%0.139CC..Hα-helixtrans-60.9-43.6176.5-65.2159000110R14 F15 L18 S53 A54 K60 A61 P72R14-I57 VanDerWaalsContact O-CD1 3.24Å; R14-I57 WeakPolarHBondContact O-CD1 3.31Å; F15-I57 HydrophobicContact CB-CG2 4.39Å; F15-I57 HydrophobicContact CD1-CB 4.36Å; F15-I57 HydrophobicContact CD1-CG2 3.7Å; F15-I57 HydrophobicContact CD2-CG2 3.59Å; F15-I57 HydrophobicContact CE1-CB 4.23Å; F15-I57 HydrophobicContact CE1-CG2 3.8Å; F15-I57 HydrophobicContact CE2-CG2 3.71Å; F15-I57 HydrophobicContact CG-CG2 3.6Å; F15-I57 HydrophobicContact CZ-CB 4.46Å; F15-I57 HydrophobicContact CZ-CG2 3.82Å; L18-I57 HydrophobicContact CD1-CD1 3.9Å; L18-I57 HydrophobicContact CD2-CD1 4.1Å; L18-I57 HydrophobicContact CG-CD1 3.87Å; S53-I57 WeakPolarHBondContact O-CD1 3.49Å; S53-I57 VanDerWaalsContact O-CG1 3.29Å; S53-I57 WeakPolarHBondContact O-CG1 3.39Å; S53-I57 PolarHBondContact O-N 2.74Å; A54-I57 PolarHBondContact O-N 2.76Å; I57-K60 WeakPolarHBondContact O-CB 3.28Å; I57-K60 PolarHBondContact O-N 3.43Å; I57-A61 WeakPolarHBondContact O-CB 3.44Å; I57-A61 PolarHBondContact O-N 3.03Å; I57-P72 HydrophobicContact CG2-CG 4.27Å
58F96.8Very high94.6Very high0 Ų023 Ų230%014%0.141CC..Hα-helixtrans-59.8-49.5175.6-179.7-100.7000111.5F15 L28 I32 T37 Y41 A54 A55 K56 K60 A61 I62 I151 V153F15-F58 HydrophobicContact CE1-CB 4.38Å; F15-F58 HydrophobicContact CZ-CB 3.93Å; F15-F58 HydrophobicContact CZ-CD2 4.21Å; L28-F58 HydrophobicContact CB-CD2 4.48Å; L28-F58 HydrophobicContact CD2-CD2 4.05Å; L28-F58 HydrophobicContact CD2-CE2 4.22Å; I32-F58 HydrophobicContact CD1-CD2 3.88Å; I32-F58 HydrophobicContact CD1-CE2 4.08Å; I32-F58 HydrophobicContact CG1-CD2 4.25Å; I32-F58 HydrophobicContact CG1-CE2 3.92Å; T37-F58 HydrophobicContact CG2-CE2 4.33Å; T37-F58 HydrophobicContact CG2-CZ 4.04Å; Y41-F58 AromaticContact CD2-CE1 4Å; Y41-F58 HydrophobicContact CD2-CE1 4Å; Y41-F58 HydrophobicContact CD2-CZ 4.15Å; Y41-F58 HydrophobicContact CE1-CZ 4.4Å; Y41-F58 AromaticContact CE2-CE1 3.68Å; Y41-F58 HydrophobicContact CE2-CE1 3.68Å; Y41-F58 HydrophobicContact CE2-CE2 4.37Å; Y41-F58 AromaticContact CE2-CZ 3.42Å; Y41-F58 HydrophobicContact CE2-CZ 3.42Å; Y41-F58 VanDerWaalsContact CE2-CZ 3.42Å; Y41-F58 AromaticContact CZ-CZ 3.57Å; A54-F58 WeakPolarHBondContact O-CB 3.44Å; A54-F58 PolarHBondContact O-N 2.87Å; A55-F58 PolarHBondContact O-N 3.01Å; K56-F58 VanDerWaalsContact C-N 3.29Å; K56-F58 PolarHBondContact O-N 3.11Å; F58-K60 VanDerWaalsContact C-N 3.29Å; F58-K60 PolarHBondContact O-N 3.06Å; F58-A61 PolarHBondContact O-N 2.76Å; F58-A61 VanDerWaalsContact O-N 3.12Å; F58-I62 HydrophobicContact CD1-CD1 4.34Å; F58-I62 HydrophobicContact CD2-CG2 4.36Å; F58-I62 HydrophobicContact CE1-CD1 3.99Å; F58-I62 HydrophobicContact CE1-CG2 4.16Å; F58-I62 HydrophobicContact CE2-CG2 3.9Å; F58-I62 HydrophobicContact CZ-CG2 3.79Å; F58-I62 WeakPolarHBondContact O-CG1 3.35Å; F58-I62 PolarHBondContact O-N 3.24Å; F58-I151 HydrophobicContact CE1-CG2 4.06Å; F58-V153 HydrophobicContact CD1-CG2 4.07Å; F58-V153 HydrophobicContact CE1-CG2 4.4Å
59A96.1Very high94.5Very high0 Ų027.9 Ų27.90%016%0.164CC..Hα-helixtrans-57.3-40.1176.400000112.8A55 K56 I62 N63 V90 V122 I124A55-A59 WeakPolarHBondContact O-CB 3.34Å; A55-A59 PolarHBondContact O-N 3.3Å; K56-A59 PolarHBondContact O-N 2.81Å; A59-I62 WeakPolarHBondContact O-CG1 3.33Å; A59-N63 WeakPolarHBondContact O-CB 3.36Å; A59-N63 PolarHBondContact O-N 3.37Å; A59-N63 PolarHBondContact O-ND2 3.46Å; A59-V90 HydrophobicContact CB-CG1 3.91Å; A59-V90 HydrophobicContact CB-CG2 4.29Å; A59-V122 HydrophobicContact CB-CB 4.22Å; A59-V122 HydrophobicContact CB-CG1 3.91Å; A59-V122 HydrophobicContact CB-CG2 4.21Å; A59-I124 HydrophobicContact CB-CD1 4.33Å
60K95.8Very high94.4Very high4 Ų427.8 Ų27.82%0.01716%0.164CC..Hα-helixtrans-64.1-49.3173.2-70.9173.7168.3-162.90111.8K56 I57 F58 I62 N63 C64 P72 N74 I82 T83K56-K60 WeakPolarHBondContact O-CG 3.46Å; K56-K60 PolarHBondContact O-N 3.05Å; I57-K60 WeakPolarHBondContact O-CB 3.28Å; I57-K60 PolarHBondContact O-N 3.43Å; F58-K60 VanDerWaalsContact C-N 3.29Å; F58-K60 PolarHBondContact O-N 3.06Å; K60-I62 PolarHBondContact O-N 3.42Å; K60-N63 PolarHBondContact O-N 2.97Å; K60-C64 WeakPolarHBondContact O-CA 3.27Å; K60-C64 WeakPolarHBondContact O-CB 3.42Å; K60-C64 PolarHBondContact O-N 3.44Å; K60-P72 HydrophobicContact CB-CB 3.64Å; K60-P72 HydrophobicContact CB-CG 4.08Å; K60-P72 HydrophobicContact CD-CB 4.49Å; K60-P72 HydrophobicContact CD-CG 4.45Å; K60-N74 PolarHBondContact NZ-OD1 3.45Å; K60-I82 HydrophobicContact CD-CG2 4.47Å; K60-I82 HydrophobicContact CG-CB 3.88Å; K60-I82 HydrophobicContact CG-CD1 4.12Å; K60-I82 HydrophobicContact CG-CG2 3.55Å; K60-T83 WeakPolarHBondContact CE-OG1 3.45Å; K60-T83 PolarHBondContact NZ-OG1 3.04Å
61A95.8Very high94.4Very high2 Ų227.4 Ų27.42%0.01716%0.158CC..Hα-helixtrans-64.8-40.4-172.500000112.3F15 I32 I57 F58 N63 G70 P72F15-A61 HydrophobicContact CE2-CB 3.99Å; I32-A61 HydrophobicContact CD1-CB 3.62Å; I57-A61 WeakPolarHBondContact O-CB 3.44Å; I57-A61 PolarHBondContact O-N 3.03Å; F58-A61 PolarHBondContact O-N 2.76Å; F58-A61 VanDerWaalsContact O-N 3.12Å; A61-N63 VanDerWaalsContact C-N 3.33Å; A61-N63 PolarHBondContact O-N 3.35Å; A61-G70 WeakPolarHBondContact CB-O 3.32Å; A61-P72 HydrophobicContact CB-CB 4.45Å
62I95.1Very high94.4Very high16 Ų1627.1 Ų27.18%0.08216%0.157CC..Hα-helixtrans-70.1-2817861.5176.8000113.8I32 T37 F58 A59 K60 Y120 V122 I151I32-I62 HydrophobicContact CD1-CG2 4.33Å; I32-I62 HydrophobicContact CG1-CG2 3.85Å; T37-I62 HydrophobicContact CG2-CG2 4.14Å; F58-I62 HydrophobicContact CD1-CD1 4.34Å; F58-I62 HydrophobicContact CD2-CG2 4.36Å; F58-I62 HydrophobicContact CE1-CD1 3.99Å; F58-I62 HydrophobicContact CE1-CG2 4.16Å; F58-I62 HydrophobicContact CE2-CG2 3.9Å; F58-I62 HydrophobicContact CZ-CG2 3.79Å; F58-I62 WeakPolarHBondContact O-CG1 3.35Å; F58-I62 PolarHBondContact O-N 3.24Å; A59-I62 WeakPolarHBondContact O-CG1 3.33Å; K60-I62 PolarHBondContact O-N 3.42Å; I62-Y120 HydrophobicContact CB-CD2 4.12Å; I62-Y120 HydrophobicContact CB-CE2 4.49Å; I62-Y120 HydrophobicContact CD1-CD2 4.28Å; I62-Y120 HydrophobicContact CD1-CG 4.47Å; I62-Y120 HydrophobicContact CG1-CD2 4.36Å; I62-V122 HydrophobicContact CD1-CG2 3.53Å; I62-V122 HydrophobicContact CG1-CG2 4.42Å; I62-I151 HydrophobicContact CD1-CD1 3.75Å
63N95.4Very high94.5Very high9 Ų928.6 Ų28.65%0.04817%0.167CC..Hα-helixtrans-99-9.6-178.5-75-31.9000113A59 K60 A61 P65 M78 I82 A118 K119 Y120A59-N63 WeakPolarHBondContact O-CB 3.36Å; A59-N63 PolarHBondContact O-N 3.37Å; A59-N63 PolarHBondContact O-ND2 3.46Å; K60-N63 PolarHBondContact O-N 2.97Å; A61-N63 VanDerWaalsContact C-N 3.33Å; A61-N63 PolarHBondContact O-N 3.35Å; N63-P65 WeakPolarHBondContact O-CD 3.41Å; N63-M78 HydrophobicContact CB-CG 3.82Å; N63-M78 HydrophobicContact CB-SD 4.04Å; N63-M78 WeakPolarHBondContact O-CG 3.36Å; N63-I82 HydrophobicContact CB-CD1 4.38Å; N63-A118 HydrophobicContact CB-CB 4.34Å; N63-K119 PolarHBondContact OD1-N 3.32Å; N63-Y120 PolarHBondContact ND2-O 3.38Å; N63-Y120 PolarHBondContact OD1-N 3.32Å; N63-Y120 PolarHBondContact OD1-O 3.45Å
64C95.5Very high94.4Very high11 Ų1129.8 Ų29.87%0.07417%0.172CC..  trans-73.4119-178.4178.10000110.8K60 N66 S67 C73 C79K60-C64 WeakPolarHBondContact O-CA 3.27Å; K60-C64 WeakPolarHBondContact O-CB 3.42Å; K60-C64 PolarHBondContact O-N 3.44Å; C64-N66 PolarHBondContact O-N 2.98Å; C64-N66 VanDerWaalsContact SG-C 3.51Å; C64-N66 PolarHBondContact SG-N 3.38Å; C64-N66 VanDerWaalsContact SG-N 3.43Å; C64-S67 PolarHBondContact O-N 3.5Å; C64-S67 PolarHBondContact SG-N 3Å; C64-C73 PolarHBondContact SG-N 3.48Å; C64-C73 PolarHBondContact SG-SG 3.39Å; C64-C79 VanDerWaalsContact SG-SG 3.65Å
65P92.5Very high94.3Very high98 Ų9836.7 Ų36.764%0.63621%0.205SC*.THydrogen-bonded Turntrans-65.5-25.8176.326-34.8000112.8N63 C76N63-P65 WeakPolarHBondContact O-CD 3.41Å; P65-C76 HydrophobicContact CG-CB 4.45Å
66N93.3Very high94.2Very high96 Ų9637.5 Ų37.551%0.51321%0.21SC..THydrogen-bonded Turntrans-105.332.5-178.3-55-24.9000111.4C64 V68 C73C64-N66 PolarHBondContact O-N 2.98Å; C64-N66 VanDerWaalsContact SG-C 3.51Å; C64-N66 PolarHBondContact SG-N 3.38Å; C64-N66 VanDerWaalsContact SG-N 3.43Å; N66-V68 PolarHBondContact O-N 2.95Å; N66-C73 HydrophobicContact CB-CB 4.02Å
67S90.3Very high94.2Very high42 Ų4243.3 Ų43.329%0.29424%0.238SC..  trans-67.7129.6179-175.90000110.2C64 E71C64-S67 PolarHBondContact O-N 3.5Å; C64-S67 PolarHBondContact SG-N 3Å; S67-E71 VanDerWaalsContact CA-O 3.27Å; S67-E71 WeakPolarHBondContact CA-O 3.4Å; S67-E71 WeakPolarHBondContact CB-O 3.22Å; S67-E71 PolarHBondContact OG-O 3.18Å
68V91.8Very high94.1Very high97 Ų9744.3 Ų44.359%0.58824%0.243SC*.BIsolated β-bridgetrans-121.3129.2177-178.60000107.6N66 G70 E71N66-V68 PolarHBondContact O-N 2.95Å; V68-G70 PolarHBondContact O-N 3.47Å; V68-E71 PolarHBondContact N-O 3.35Å; V68-E71 WeakPolarHBondContact O-CB 3.47Å; V68-E71 PolarHBondContact O-N 3.45Å
69D91.2Very high94Very high111 Ų11144.3 Ų44.359%0.59424%0.243SC*.THydrogen-bonded Turntrans51.830.1-178-60.8-30.9000114.8K29 Q33 E71K29-D69 VanDerWaalsContact CE-O 3.24Å; K29-D69 WeakPolarHBondContact CE-O 3.35Å; Q33-D69 PolarHBondContact NE2-O 3.25Å; D69-E71 PolarHBondContact O-N 3.08Å
70G90.6Very high93.9Very high2 Ų251.5 Ų51.52%0.02127%0.27CS..THydrogen-bonded Turntrans75.19.3-17800000114.1F15 A61 V68F15-G70 WeakPolarHBondContact CE2-O 3.36Å; A61-G70 WeakPolarHBondContact CB-O 3.32Å; V68-G70 PolarHBondContact O-N 3.47Å
71E94.7Very high93.8Very high7 Ų752.3 Ų52.33%0.03328%0.276CS..BIsolated β-bridgetrans-91.5148.7170.7-68.7-68.9168.200111.3R14 F15 D16 K29 S67 V68 D69R14-E71 WeakPolarHBondContact CA-OE2 3.29Å; R14-E71 WeakPolarHBondContact CB-OE2 3.47Å; F15-E71 VanDerWaalsContact CB-OE1 3.29Å; F15-E71 WeakPolarHBondContact CB-OE1 3.27Å; F15-E71 PolarHBondContact N-OE1 2.87Å; F15-E71 PolarHBondContact N-OE2 3.03Å; D16-E71 VanDerWaalsContact CG-OE1 3.23Å; D16-E71 PolarHBondContact N-OE1 3.25Å; K29-E71 WeakPolarHBondContact CD-OE1 3.4Å; K29-E71 VanDerWaalsContact CE-OE1 3.32Å; K29-E71 WeakPolarHBondContact CE-OE1 3.36Å; K29-E71 IonicContact NZ-OE1 3.25Å; K29-E71 PolarHBondContact NZ-OE1 3.45Å; S67-E71 VanDerWaalsContact CA-O 3.27Å; S67-E71 WeakPolarHBondContact CA-O 3.4Å; S67-E71 WeakPolarHBondContact CB-O 3.22Å; S67-E71 PolarHBondContact OG-O 3.18Å; V68-E71 PolarHBondContact N-O 3.35Å; V68-E71 WeakPolarHBondContact O-CB 3.47Å; V68-E71 PolarHBondContact O-N 3.45Å; D69-E71 PolarHBondContact O-N 3.08Å
72P95.3Very high93.7Very high3 Ų352.5 Ų52.52%0.01928%0.277CS..  trans-76.5143.5167.532-30.2000110.8I57 K60 A61 N74I57-P72 HydrophobicContact CG2-CG 4.27Å; K60-P72 HydrophobicContact CB-CB 3.64Å; K60-P72 HydrophobicContact CB-CG 4.08Å; K60-P72 HydrophobicContact CD-CB 4.49Å; K60-P72 HydrophobicContact CD-CG 4.45Å; A61-P72 HydrophobicContact CB-CB 4.45Å; P72-N74 VanDerWaalsContact C-N 3.28Å; P72-N74 PolarHBondContact O-N 2.96Å
73C95.2Very high93.5Very high37 Ų3754.6 Ų54.625%0.2529%0.291CS..  trans-71.1-21.5177.571.70000113.6C64 N66 E75 C76C64-C73 PolarHBondContact SG-N 3.48Å; C64-C73 PolarHBondContact SG-SG 3.39Å; N66-C73 HydrophobicContact CB-CB 4.02Å; C73-E75 PolarHBondContact O-N 3.36Å; C73-E75 PolarHBondContact SG-N 2.64Å; C73-C76 PolarHBondContact SG-N 2.63Å; C73-C76 PolarHBondContact SG-SG 2.99Å
74N93Very high93.3Very high40 Ų4058.6 Ų58.621%0.21431%0.312CS..SBendtrans59.40.4-174.4-68.9-50.9000116.6Q13 R14 K60 P72Q13-N74 PolarHBondContact O-ND2 3.43Å; Q13-N74 PolarHBondContact O-OD1 3.03Å; R14-N74 VanDerWaalsContact CG-ND2 3.34Å; R14-N74 WeakPolarHBondContact CG-ND2 3.43Å; K60-N74 PolarHBondContact NZ-OD1 3.45Å; P72-N74 VanDerWaalsContact C-N 3.28Å; P72-N74 PolarHBondContact O-N 2.96Å
75E94.2Very high93Very high145 Ų14561.1 Ų61.168%0.67834%0.34SS*.  trans-106.1-27.9-178.4-68.2174.2-174.700113.7C73 R80C73-E75 PolarHBondContact O-N 3.36Å; C73-E75 PolarHBondContact SG-N 2.64Å; E75-R80 VanDerWaalsContact O-CZ 3.25Å; E75-R80 PolarHBondContact O-NE 2.99Å; E75-R80 PolarHBondContact O-NH2 2.97Å
76C94.5Very high93Very high17 Ų1765.4 Ų65.412%0.11534%0.343CS..SBendtrans-72.1158.5179.673.30000112.1P65 C73 M78 C79 R80P65-C76 HydrophobicContact CG-CB 4.45Å; C73-C76 PolarHBondContact SG-N 2.63Å; C73-C76 PolarHBondContact SG-SG 2.99Å; C76-M78 VanDerWaalsContact C-N 3.26Å; C76-M78 PolarHBondContact O-N 3.37Å; C76-C79 PolarHBondContact O-N 2.89Å; C76-C79 VanDerWaalsContact O-N 3.08Å; C76-C79 PolarHBondContact SG-N 3.14Å; C76-C79 VanDerWaalsContact SG-N 3.37Å; C76-C79 PolarHBondContact SG-SG 2.9Å; C76-R80 WeakPolarHBondContact O-CG 3.45Å; C76-R80 PolarHBondContact O-N 2.8Å
77E94.2Very high93Very high170 Ų17061.8 Ų61.879%0.79432%0.324SS*.Hα-helixtrans-56.8-38.6179.7-173.6174.7-172.400112.6R80 S81E77-R80 PolarHBondContact O-N 3.42Å; E77-S81 VanDerWaalsContact O-CB 3.28Å; E77-S81 WeakPolarHBondContact O-CB 3.4Å; E77-S81 PolarHBondContact O-N 2.84Å; E77-S81 PolarHBondContact O-OG 3.45Å
78M94.3Very high93.1Very high23 Ų2366.4 Ų66.411%0.11334%0.34CS..Hα-helixtrans-61-46.2175.1-176.159.562.800112.2N63 C76 S81 I82 Q87 A118N63-M78 HydrophobicContact CB-CG 3.82Å; N63-M78 HydrophobicContact CB-SD 4.04Å; N63-M78 WeakPolarHBondContact O-CG 3.36Å; C76-M78 VanDerWaalsContact C-N 3.26Å; C76-M78 PolarHBondContact O-N 3.37Å; M78-S81 WeakPolarHBondContact CA-OG 3.49Å; M78-S81 PolarHBondContact O-OG 3.3Å; M78-I82 HydrophobicContact CG-CD1 3.99Å; M78-I82 WeakPolarHBondContact O-CD1 3.45Å; M78-I82 WeakPolarHBondContact O-CG1 3.28Å; M78-I82 PolarHBondContact O-N 3.33Å; M78-I82 VanDerWaalsContact O-N 3.13Å; M78-I82 HydrophobicContact SD-CD1 3.88Å; M78-I82 HydrophobicContact SD-CG1 4.32Å; M78-Q87 VanDerWaalsContact CE-NE2 3.26Å; M78-Q87 HydrophobicContact SD-CG 3.97Å; M78-Q87 PolarHBondContact SD-NE2 3.37Å; M78-A118 HydrophobicContact CE-CB 3.76Å; M78-A118 HydrophobicContact SD-CB 4.11Å
79C94.8Very high93.2Very high0 Ų061.9 Ų61.90%031%0.313CS..Hα-helixtrans-67.7-40.7178.5-70.70000111.8C64 C76 T83C64-C79 VanDerWaalsContact SG-SG 3.65Å; C76-C79 PolarHBondContact O-N 2.89Å; C76-C79 VanDerWaalsContact O-N 3.08Å; C76-C79 PolarHBondContact SG-N 3.14Å; C76-C79 VanDerWaalsContact SG-N 3.37Å; C76-C79 PolarHBondContact SG-SG 2.9Å; C79-T83 PolarHBondContact O-N 3.47Å; C79-T83 PolarHBondContact O-OG1 3.38Å
80R93.9Very high93.4Very high151 Ų15157.5 Ų57.557%0.5729%0.29SS*.Hα-helixtrans-65-47.8178.4-69.1-179.3-177.6176.35111.6E75 C76 E77 I82 T83 D84E75-R80 VanDerWaalsContact O-CZ 3.25Å; E75-R80 PolarHBondContact O-NE 2.99Å; E75-R80 PolarHBondContact O-NH2 2.97Å; C76-R80 WeakPolarHBondContact O-CG 3.45Å; C76-R80 PolarHBondContact O-N 2.8Å; E77-R80 PolarHBondContact O-N 3.42Å; R80-I82 VanDerWaalsContact C-N 3.33Å; R80-I82 PolarHBondContact O-N 3.42Å; R80-T83 WeakPolarHBondContact O-CB 3.45Å; R80-T83 PolarHBondContact O-N 3.32Å; R80-T83 VanDerWaalsContact O-N 3.07Å; R80-D84 PolarHBondContact O-N 3.08Å
81S94.1Very high93.5Very high22 Ų2259.4 Ų59.415%0.15430%0.3CS..Hα-helixtrans-60.6-38.717855.60000112.8E77 M78 G85 R86 Q87E77-S81 VanDerWaalsContact O-CB 3.28Å; E77-S81 WeakPolarHBondContact O-CB 3.4Å; E77-S81 PolarHBondContact O-N 2.84Å; E77-S81 PolarHBondContact O-OG 3.45Å; M78-S81 WeakPolarHBondContact CA-OG 3.49Å; M78-S81 PolarHBondContact O-OG 3.3Å; S81-G85 PolarHBondContact O-N 2.81Å; S81-G85 VanDerWaalsContact O-N 3.12Å; S81-R86 PolarHBondContact O-N 2.94Å; S81-Q87 PolarHBondContact O-N 3.48Å
82I93.7Very high93.5Very high6 Ų663.4 Ų63.43%0.03132%0.318CS..Hα-helixtrans-68.5-38.7173.4-63.9166.8000111.4K60 N63 M78 R80 D84 G85 Q87 V90K60-I82 HydrophobicContact CD-CG2 4.47Å; K60-I82 HydrophobicContact CG-CB 3.88Å; K60-I82 HydrophobicContact CG-CD1 4.12Å; K60-I82 HydrophobicContact CG-CG2 3.55Å; N63-I82 HydrophobicContact CB-CD1 4.38Å; M78-I82 HydrophobicContact CG-CD1 3.99Å; M78-I82 WeakPolarHBondContact O-CD1 3.45Å; M78-I82 WeakPolarHBondContact O-CG1 3.28Å; M78-I82 PolarHBondContact O-N 3.33Å; M78-I82 VanDerWaalsContact O-N 3.13Å; M78-I82 HydrophobicContact SD-CD1 3.88Å; M78-I82 HydrophobicContact SD-CG1 4.32Å; R80-I82 VanDerWaalsContact C-N 3.33Å; R80-I82 PolarHBondContact O-N 3.42Å; I82-D84 VanDerWaalsContact C-N 3.32Å; I82-D84 PolarHBondContact O-N 3.43Å; I82-G85 PolarHBondContact O-N 2.8Å; I82-Q87 HydrophobicContact CG1-CB 3.69Å; I82-Q87 HydrophobicContact CG1-CG 3.8Å; I82-V90 HydrophobicContact CD1-CG2 3.8Å; I82-V90 HydrophobicContact CG1-CB 4.25Å; I82-V90 HydrophobicContact CG1-CG2 3.78Å; I82-V90 HydrophobicContact CG2-CG1 4.2Å
83T91.9Very high93.3Very high60 Ų6064 Ų6437%0.36832%0.321SS..Hα-helixtrans-61.1-44.1176.5-50.90000111.3K60 C79 R80 G85K60-T83 WeakPolarHBondContact CE-OG1 3.45Å; K60-T83 PolarHBondContact NZ-OG1 3.04Å; C79-T83 PolarHBondContact O-N 3.47Å; C79-T83 PolarHBondContact O-OG1 3.38Å; R80-T83 WeakPolarHBondContact O-CB 3.45Å; R80-T83 PolarHBondContact O-N 3.32Å; R80-T83 VanDerWaalsContact O-N 3.07Å; T83-G85 PolarHBondContact O-N 2.81Å
84D90Very high93.3Very high92 Ų9265.2 Ų65.249%0.49233%0.325SS..THydrogen-bonded Turntrans-78.3-7.3-178.7-69.9-6.2000112.9R80 I82 R86R80-D84 PolarHBondContact O-N 3.08Å; I82-D84 VanDerWaalsContact C-N 3.32Å; I82-D84 PolarHBondContact O-N 3.43Å; D84-R86 VanDerWaalsContact C-N 3.29Å; D84-R86 HydrophobicContact CB-CG 4.15Å; D84-R86 PolarHBondContact O-N 2.96Å; D84-R86 IonicContact OD2-CZ 2.73Å; D84-R86 IonicContact OD2-NH1 3.98Å; D84-R86 PolarHBondContact OD2-NH1 3.42Å
85G90.5Very high93.2Very high64 Ų6463.3 Ų63.366%0.6632%0.315SS*.THydrogen-bonded Turntrans7022.6-177.400000114.1S81 I82 T83S81-G85 PolarHBondContact O-N 2.81Å; S81-G85 VanDerWaalsContact O-N 3.12Å; I82-G85 PolarHBondContact O-N 2.8Å; T83-G85 PolarHBondContact O-N 2.81Å
86R92.1Very high92.9Very high188 Ų18858.6 Ų58.671%0.70930%0.301SS*.  trans-97.6-10.4-180-61.5-170-170106.66.8113.8S81 D84 E88S81-R86 PolarHBondContact O-N 2.94Å; D84-R86 VanDerWaalsContact C-N 3.29Å; D84-R86 HydrophobicContact CB-CG 4.15Å; D84-R86 PolarHBondContact O-N 2.96Å; D84-R86 IonicContact OD2-CZ 2.73Å; D84-R86 IonicContact OD2-NH1 3.98Å; D84-R86 PolarHBondContact OD2-NH1 3.42Å; R86-E88 PolarHBondContact O-N 3.29Å
87Q93.4Very high92.6Very high21 Ų2162.1 Ų62.110%0.09833%0.325CS..  trans-74113.3-177.9178.749.9-87.600110.9M78 S81 I82 D89 V90 T117M78-Q87 VanDerWaalsContact CE-NE2 3.26Å; M78-Q87 HydrophobicContact SD-CG 3.97Å; M78-Q87 PolarHBondContact SD-NE2 3.37Å; S81-Q87 PolarHBondContact O-N 3.48Å; I82-Q87 HydrophobicContact CG1-CB 3.69Å; I82-Q87 HydrophobicContact CG1-CG 3.8Å; Q87-D89 HydrophobicContact CG-CB 4.32Å; Q87-D89 PolarHBondContact O-N 2.98Å; Q87-D89 VanDerWaalsContact OE1-N 3.1Å; Q87-V90 HydrophobicContact CB-CB 4.46Å; Q87-V90 HydrophobicContact CG-CB 4.25Å; Q87-V90 HydrophobicContact CG-CG2 4Å; Q87-V90 PolarHBondContact O-N 2.98Å; Q87-V90 VanDerWaalsContact O-N 3.1Å; Q87-V90 VanDerWaalsContact O-O 3.09Å; Q87-T117 PolarHBondContact NE2-OG1 3.34Å; Q87-T117 VanDerWaalsContact NE2-OG1 3.12Å; Q87-T117 PolarHBondContact OE1-OG1 2.99Å
88E92.3Very high92.2Very high139 Ų13956.9 Ų56.965%0.6530%0.303SS*.THydrogen-bonded Turntrans-62.2-29.4-179.6-60.9-178.3174.300113.4R86 V90 I91R86-E88 PolarHBondContact O-N 3.29Å; E88-V90 VanDerWaalsContact C-N 3.28Å; E88-V90 PolarHBondContact O-N 3.46Å; E88-I91 WeakPolarHBondContact O-CG1 3.43Å
89D94.2Very high91.8Very high1 Ų159.7 Ų59.71%0.00532%0.318CS..THydrogen-bonded Turntrans-80.9-5.3178.2-68.8-44.9000113.6Q87 P115 T116 T117 A118 K121 V122Q87-D89 HydrophobicContact CG-CB 4.32Å; Q87-D89 PolarHBondContact O-N 2.98Å; Q87-D89 VanDerWaalsContact OE1-N 3.1Å; D89-P115 VanDerWaalsContact OD1-CA 3.22Å; D89-P115 WeakPolarHBondContact OD1-CA 3.49Å; D89-P115 WeakPolarHBondContact OD1-CB 3.15Å; D89-T116 VanDerWaalsContact CG-N 3.33Å; D89-T116 PolarHBondContact OD1-N 3.17Å; D89-T116 PolarHBondContact OD2-N 3.33Å; D89-T117 PolarHBondContact OD2-N 2.93Å; D89-T117 PolarHBondContact OD2-OG1 2.75Å; D89-A118 HydrophobicContact CB-CB 3.5Å; D89-A118 WeakPolarHBondContact OD2-CB 3.13Å; D89-A118 PolarHBondContact OD2-N 3.3Å; D89-K121 CarbonylContact O-C 3.57Å; D89-K121 WeakPolarHBondContact O-CA 3.41Å; D89-V122 PolarHBondContact O-N 2.97Å
90V94.6Very high91.4Very high20 Ų2060.6 Ų60.612%0.12133%0.327CS..EExtended strand (participates in β ladder)trans-122.199.3175.6-179.20000109.1A59 I82 Q87 E88 V122 I124A59-V90 HydrophobicContact CB-CG1 3.91Å; A59-V90 HydrophobicContact CB-CG2 4.29Å; I82-V90 HydrophobicContact CD1-CG2 3.8Å; I82-V90 HydrophobicContact CG1-CB 4.25Å; I82-V90 HydrophobicContact CG1-CG2 3.78Å; I82-V90 HydrophobicContact CG2-CG1 4.2Å; Q87-V90 HydrophobicContact CB-CB 4.46Å; Q87-V90 HydrophobicContact CG-CB 4.25Å; Q87-V90 HydrophobicContact CG-CG2 4Å; Q87-V90 PolarHBondContact O-N 2.98Å; Q87-V90 VanDerWaalsContact O-N 3.1Å; Q87-V90 VanDerWaalsContact O-O 3.09Å; E88-V90 VanDerWaalsContact C-N 3.28Å; E88-V90 PolarHBondContact O-N 3.46Å; V90-V122 WeakPolarHBondContact CA-O 3.48Å; V90-V122 HydrophobicContact CG1-CB 4.47Å; V90-V122 HydrophobicContact CG2-CB 4.25Å; V90-V122 HydrophobicContact CG2-CG2 4.34Å; V90-I124 HydrophobicContact CG1-CD1 4.22Å
91I93.2Very high91.1Very high42 Ų4255.3 Ų55.322%0.21531%0.312CS..EExtended strand (participates in β ladder)trans-103.9117.6-172.1-59.7161.4000108.6E88 I93 V122 Y123 I124E88-I91 WeakPolarHBondContact O-CG1 3.43Å; I91-I93 HydrophobicContact CG2-CD1 3.72Å; I91-I93 HydrophobicContact CG2-CG1 3.94Å; I91-V122 PolarHBondContact N-O 3.29Å; I91-Y123 HydrophobicContact CB-CD1 3.99Å; I91-Y123 HydrophobicContact CB-CE1 4.2Å; I91-Y123 HydrophobicContact CD1-CD1 4.08Å; I91-Y123 HydrophobicContact CD1-CE1 3.41Å; I91-Y123 VanDerWaalsContact CD1-CE1 3.41Å; I91-Y123 HydrophobicContact CG1-CE1 4.37Å; I91-Y123 HydrophobicContact CG2-CD1 4.32Å; I91-Y123 HydrophobicContact CG2-CE1 4.49Å; I91-I124 PolarHBondContact O-N 3.21Å
92E94Very high90.8Very high90 Ų9059.8 Ų59.842%0.42133%0.33SS..EExtended strand (participates in β ladder)trans-100.1121.6173.7-175.4178.1-157.300109.6T52 K56 I124T52-E92 WeakPolarHBondContact CG2-OE1 3.33Å; K56-E92 WeakPolarHBondContact CE-OE1 3.45Å; K56-E92 WeakPolarHBondContact CE-OE2 3.41Å; K56-E92 IonicContact NZ-OE1 3.67Å; K56-E92 PolarHBondContact NZ-OE1 3.34Å; K56-E92 IonicContact NZ-OE2 3.51Å; K56-E92 PolarHBondContact NZ-OE2 3Å; E92-I124 CarbonylContact C-O 3.55Å; E92-I124 WeakPolarHBondContact CA-O 3.47Å; E92-I124 HydrophobicContact CG-CG2 4.49Å
93I91.6Very high90.6Very high16 Ų1663.3 Ų63.38%0.08235%0.347CS..EExtended strand (participates in β ladder)trans-120.3127.2179-62.7130.2000108.3I91 N98 I107 Y123 I124 I125 D126I91-I93 HydrophobicContact CG2-CD1 3.72Å; I91-I93 HydrophobicContact CG2-CG1 3.94Å; I93-N98 HydrophobicContact CG2-CB 3.75Å; I93-I107 HydrophobicContact CD1-CD1 3.3Å; I93-I107 HydrophobicContact CD1-CG1 3.91Å; I93-I107 HydrophobicContact CG1-CD1 4.07Å; I93-Y123 HydrophobicContact CD1-CD1 4.24Å; I93-I124 PolarHBondContact N-O 3.31Å; I93-I125 HydrophobicContact CD1-CG1 4.43Å; I93-I125 CarbonylContact O-C 3.59Å; I93-I125 WeakPolarHBondContact O-CA 3.4Å; I93-D126 PolarHBondContact O-N 3.3Å
94D93.7Very high90.4Very high63 Ų6360.6 Ų60.634%0.33733%0.33SS..EExtended strand (participates in β ladder)trans-86.8111.3165.9172.323.4000109.1A96 S97 N98D94-A96 PolarHBondContact O-N 3.46Å; D94-A96 WeakPolarHBondContact OD1-CB 3.39Å; D94-A96 PolarHBondContact OD1-N 3.02Å; D94-S97 PolarHBondContact O-N 2.74Å; D94-S97 VanDerWaalsContact O-N 3.15Å; D94-S97 PolarHBondContact OD2-OG 3.45Å; D94-N98 PolarHBondContact O-N 2.92Å; D94-N98 PolarHBondContact O-ND2 2.95Å
95A91.6Very high90.3Very high0 Ų061.3 Ų61.30%033%0.326CS..THydrogen-bonded Turntrans-67.7-18-179.700000112.9S97 N99 I125 D126 E127 M130 L131A95-S97 VanDerWaalsContact C-N 3.3Å; A95-N99 WeakPolarHBondContact O-CA 3.27Å; A95-N99 VanDerWaalsContact O-CB 3.32Å; A95-N99 WeakPolarHBondContact O-CB 3.44Å; A95-N99 PolarHBondContact O-N 3.48Å; A95-I125 HydrophobicContact CB-CG2 4Å; A95-D126 WeakPolarHBondContact CB-O 3.48Å; A95-D126 PolarHBondContact N-O 2.89Å; A95-E127 WeakPolarHBondContact CB-O 3.49Å; A95-M130 HydrophobicContact CB-CB 4.39Å; A95-L131 HydrophobicContact CB-CD2 3.65Å; A95-L131 HydrophobicContact CB-CG 3.85Å
96A88.5Confident90.2Very high46 Ų4663.3 Ų63.338%0.3832%0.316SS..THydrogen-bonded Turntrans-68.2-34172.700000111.7D94 M130D94-A96 PolarHBondContact O-N 3.46Å; D94-A96 WeakPolarHBondContact OD1-CB 3.39Å; D94-A96 PolarHBondContact OD1-N 3.02Å; A96-M130 HydrophobicContact CB-CB 4.42Å; A96-M130 HydrophobicContact CB-CE 4.49Å; A96-M130 HydrophobicContact CB-CG 4.26Å
97S87.2Confident90Very high90 Ų9055 Ų5563%0.62929%0.286SS*.THydrogen-bonded Turntrans-92.6-24.5179.7-56.30000113D94 A95D94-S97 PolarHBondContact O-N 2.74Å; D94-S97 VanDerWaalsContact O-N 3.15Å; D94-S97 PolarHBondContact OD2-OG 3.45Å; A95-S97 VanDerWaalsContact C-N 3.3Å
98N86.9Confident89.6Confident60 Ų6057 Ų5732%0.32129%0.293SS..  trans-124.855.9-175.5-56-88.1000110.8I93 D94 G100 E103I93-N98 HydrophobicContact CG2-CB 3.75Å; D94-N98 PolarHBondContact O-N 2.92Å; D94-N98 PolarHBondContact O-ND2 2.95Å; N98-G100 VanDerWaalsContact C-N 3.34Å; N98-E103 HydrophobicContact CB-CB 4.45Å; N98-E103 HydrophobicContact CB-CG 4.31Å
99N85.3Confident89.4Confident83 Ų8353.7 Ų53.744%0.44428%0.279SS..  trans-83.9-6.6-174.463.14000114.7A95 M130 S132A95-N99 WeakPolarHBondContact O-CA 3.27Å; A95-N99 VanDerWaalsContact O-CB 3.32Å; A95-N99 WeakPolarHBondContact O-CB 3.44Å; A95-N99 PolarHBondContact O-N 3.48Å; N99-M130 VanDerWaalsContact CB-O 3.31Å; N99-M130 WeakPolarHBondContact CB-O 3.48Å; N99-S132 VanDerWaalsContact O-CB 3.3Å; N99-S132 WeakPolarHBondContact O-CB 3.37Å; N99-S132 PolarHBondContact O-N 3.46Å; N99-S132 VanDerWaalsContact O-N 3.09Å; N99-S132 PolarHBondContact O-OG 3.37Å
100G85.5Confident89.1Confident18 Ų1859.5 Ų59.519%0.18630%0.301CS..SBendtrans-73.5161.6-174.600000113.8N98 E103N98-G100 VanDerWaalsContact C-N 3.34Å; G100-E103 WeakPolarHBondContact CA-OE2 3.46Å; G100-E103 PolarHBondContact N-OE2 3.36Å
101V87.9Confident88.7Confident41 Ų4158.6 Ų58.625%0.24830%0.295CS..Hα-helixtrans-74.9-34.2-179.1-171.40000111I104 R105 A138V101-I104 PolarHBondContact O-N 3.42Å; V101-R105 HydrophobicContact CG1-CG 4.39Å; V101-R105 VanDerWaalsContact O-CG 3.31Å; V101-R105 WeakPolarHBondContact O-CG 3.49Å; V101-R105 PolarHBondContact O-N 3.49Å; V101-A138 HydrophobicContact CG1-CB 4.32Å
102E89.3Confident88.4Confident115 Ų11560.7 Ų60.754%0.53731%0.307SS..Hα-helixtrans-67.4-40.4-176.7-67.3-53.7135.200111.8I104 R105 F106E102-I104 VanDerWaalsContact C-N 3.35Å; E102-I104 PolarHBondContact O-N 3.21Å; E102-R105 WeakPolarHBondContact O-CB 3.31Å; E102-R105 PolarHBondContact O-N 3.01Å; E102-R105 IonicContact OE1-CZ 2.98Å; E102-R105 IonicContact OE1-NE 3.78Å; E102-R105 IonicContact OE1-NH1 3.37Å; E102-R105 PolarHBondContact OE1-NH1 3.11Å; E102-R105 IonicContact OE2-NH1 2.81Å; E102-F106 PolarHBondContact O-N 3.01Å
103E88Confident88.2Confident81 Ų8164.2 Ų64.238%0.37932%0.318SS..Hα-helixtrans-61.2-44.2176.5-6576.4-169.800111.2N98 G100 F106 I107N98-E103 HydrophobicContact CB-CB 4.45Å; N98-E103 HydrophobicContact CB-CG 4.31Å; G100-E103 WeakPolarHBondContact CA-OE2 3.46Å; G100-E103 PolarHBondContact N-OE2 3.36Å; E103-F106 WeakPolarHBondContact O-CB 3.4Å; E103-F106 PolarHBondContact O-N 3Å; E103-I107 WeakPolarHBondContact O-CD1 3.47Å; E103-I107 WeakPolarHBondContact O-CG1 3.37Å; E103-I107 PolarHBondContact O-N 3.05Å
104I89.3Confident88.1Confident2 Ų266.9 Ų66.91%0.0134%0.342CS..Hα-helixtrans-68.9-35.2176.6-62.6-51.2000112V101 E102 F106 I107 R108 L131 A135 A138 L139V101-I104 PolarHBondContact O-N 3.42Å; E102-I104 VanDerWaalsContact C-N 3.35Å; E102-I104 PolarHBondContact O-N 3.21Å; I104-F106 VanDerWaalsContact C-N 3.34Å; I104-I107 HydrophobicContact CD1-CD1 3.77Å; I104-I107 PolarHBondContact O-N 3.4Å; I104-R108 PolarHBondContact O-N 3.2Å; I104-L131 HydrophobicContact CD1-CD1 4.26Å; I104-L131 HydrophobicContact CD1-CD2 4.03Å; I104-L131 HydrophobicContact CG1-CD1 4.45Å; I104-L131 HydrophobicContact CG1-CD2 4.16Å; I104-A135 HydrophobicContact CB-CB 4.39Å; I104-A135 HydrophobicContact CG1-CB 3.76Å; I104-A138 HydrophobicContact CB-CB 4.37Å; I104-A138 HydrophobicContact CG2-CB 3.79Å; I104-L139 HydrophobicContact CG2-CB 3.98Å
105R87.5Confident88Confident107 Ų10765.3 Ų65.340%0.40434%0.336SS..Hα-helixtrans-61.7-44.6173.5-76.8171.6177-176-3.5111.1V101 E102 I107 R108 D109 A138V101-R105 HydrophobicContact CG1-CG 4.39Å; V101-R105 VanDerWaalsContact O-CG 3.31Å; V101-R105 WeakPolarHBondContact O-CG 3.49Å; V101-R105 PolarHBondContact O-N 3.49Å; E102-R105 WeakPolarHBondContact O-CB 3.31Å; E102-R105 PolarHBondContact O-N 3.01Å; E102-R105 IonicContact OE1-CZ 2.98Å; E102-R105 IonicContact OE1-NE 3.78Å; E102-R105 IonicContact OE1-NH1 3.37Å; E102-R105 PolarHBondContact OE1-NH1 3.11Å; E102-R105 IonicContact OE2-NH1 2.81Å; R105-I107 VanDerWaalsContact C-N 3.32Å; R105-I107 PolarHBondContact O-N 3.11Å; R105-R108 WeakPolarHBondContact O-CB 3.48Å; R105-R108 PolarHBondContact O-N 2.8Å; R105-D109 PolarHBondContact O-N 3.35Å; R105-A138 HydrophobicContact CG-CB 4.32Å
106F87.5Confident87.9Confident107 Ų10770.1 Ų70.147%0.46937%0.365SS..Hα-helixtrans-61.1-40.8175.8-176.1-110.1000112.6E102 E103 I104 D109 R110E102-F106 PolarHBondContact O-N 3.01Å; E103-F106 WeakPolarHBondContact O-CB 3.4Å; E103-F106 PolarHBondContact O-N 3Å; I104-F106 VanDerWaalsContact C-N 3.34Å; F106-D109 PolarHBondContact O-N 3.26Å; F106-R110 WeakPolarHBondContact O-CB 3.46Å; F106-R110 WeakPolarHBondContact O-CG 3.49Å; F106-R110 PolarHBondContact O-N 2.61Å
107I87.4Confident87.9Confident13 Ų1372.5 Ų72.57%0.06738%0.375CS..Hα-helixtrans-61-47.5173.6-73.6155.4000111.2I93 E103 I104 R105 D109 R110 A111 Y123 F152I93-I107 HydrophobicContact CD1-CD1 3.3Å; I93-I107 HydrophobicContact CD1-CG1 3.91Å; I93-I107 HydrophobicContact CG1-CD1 4.07Å; E103-I107 WeakPolarHBondContact O-CD1 3.47Å; E103-I107 WeakPolarHBondContact O-CG1 3.37Å; E103-I107 PolarHBondContact O-N 3.05Å; I104-I107 HydrophobicContact CD1-CD1 3.77Å; I104-I107 PolarHBondContact O-N 3.4Å; R105-I107 VanDerWaalsContact C-N 3.32Å; R105-I107 PolarHBondContact O-N 3.11Å; I107-D109 VanDerWaalsContact C-N 3.34Å; I107-D109 PolarHBondContact O-N 3.33Å; I107-R110 PolarHBondContact O-N 3.18Å; I107-A111 WeakPolarHBondContact O-CB 3.1Å; I107-A111 PolarHBondContact O-N 3.36Å; I107-Y123 HydrophobicContact CB-CE1 4.32Å; I107-Y123 HydrophobicContact CG1-CE1 4.33Å; I107-Y123 HydrophobicContact CG2-CD1 3.63Å; I107-Y123 HydrophobicContact CG2-CE1 3.56Å; I107-Y123 HydrophobicContact CG2-CG 4.21Å; I107-Y123 PolarHBondContact O-OH 2.7Å; I107-F152 HydrophobicContact CG2-CE1 4.21Å
108R86.3Confident88.1Confident63 Ų6368.9 Ų68.924%0.23835%0.35CS..Hα-helixtrans-58.2-47.4176.6172.9-165.576.7-1650.8111.2I104 R105 R110 A111 T142I104-R108 PolarHBondContact O-N 3.2Å; R105-R108 WeakPolarHBondContact O-CB 3.48Å; R105-R108 PolarHBondContact O-N 2.8Å; R108-R110 VanDerWaalsContact C-N 3.32Å; R108-R110 PolarHBondContact O-N 2.98Å; R108-A111 WeakPolarHBondContact O-CB 3.4Å; R108-A111 PolarHBondContact O-N 2.83Å; R108-A111 VanDerWaalsContact O-N 3.12Å; R108-T142 VanDerWaalsContact CG-OG1 3.3Å; R108-T142 WeakPolarHBondContact CG-OG1 3.28Å
109D87.6Confident88.3Confident69 Ų6971.8 Ų71.837%0.36936%0.36SS..Hα-helixtrans-66.7-40.1-176.2-62.3-14.3000110R105 F106 I107 A111 N112 Y113R105-D109 PolarHBondContact O-N 3.35Å; F106-D109 PolarHBondContact O-N 3.26Å; I107-D109 VanDerWaalsContact C-N 3.34Å; I107-D109 PolarHBondContact O-N 3.33Å; D109-A111 VanDerWaalsContact C-N 3.3Å; D109-A111 PolarHBondContact O-N 3.38Å; D109-N112 WeakPolarHBondContact O-CB 3.34Å; D109-N112 PolarHBondContact O-N 3.04Å; D109-Y113 WeakPolarHBondContact O-CD2 3.26Å; D109-Y113 WeakPolarHBondContact O-CE2 3.26Å
110R87.6Confident88.8Confident124 Ų12469.8 Ų69.847%0.46835%0.347SS..Hα-helixtrans-66-26.6172.2-77-175.8165.7-166.5-1.7114.3F106 I107 R108 N112 Y113 K121F106-R110 WeakPolarHBondContact O-CB 3.46Å; F106-R110 WeakPolarHBondContact O-CG 3.49Å; F106-R110 PolarHBondContact O-N 2.61Å; I107-R110 PolarHBondContact O-N 3.18Å; R108-R110 VanDerWaalsContact C-N 3.32Å; R108-R110 PolarHBondContact O-N 2.98Å; R110-N112 PolarHBondContact O-N 2.83Å; R110-Y113 PolarHBondContact O-N 3.43Å; R110-K121 PolarHBondContact O-NZ 3.4Å
111A87.2Confident89.2Confident0 Ų069.9 Ų69.90%034%0.342CS..Hα-helixtrans-70-20.2177.800000112.1I107 R108 D109 Y113 Y123 T142 H149 V150I107-A111 WeakPolarHBondContact O-CB 3.1Å; I107-A111 PolarHBondContact O-N 3.36Å; R108-A111 WeakPolarHBondContact O-CB 3.4Å; R108-A111 PolarHBondContact O-N 2.83Å; R108-A111 VanDerWaalsContact O-N 3.12Å; D109-A111 VanDerWaalsContact C-N 3.3Å; D109-A111 PolarHBondContact O-N 3.38Å; A111-Y113 VanDerWaalsContact C-N 3.25Å; A111-Y113 PolarHBondContact O-N 3.12Å; A111-Y123 HydrophobicContact CB-CE2 3.93Å; A111-Y123 PolarHBondContact N-OH 3.49Å; A111-T142 HydrophobicContact CB-CG2 4.21Å; A111-H149 PolarHBondContact O-NE2 2.89Å; A111-V150 HydrophobicContact CB-CG1 4.27Å; A111-V150 HydrophobicContact CB-CG2 4.18Å; A111-V150 VanDerWaalsContact O-CG2 3.25Å; A111-V150 WeakPolarHBondContact O-CG2 3.39Å
112N86.8Confident89.6Confident87 Ų8767.9 Ų67.947%0.46533%0.33SS..THydrogen-bonded Turntrans-70.6-20.6176-68.6-46.7000113.7D109 R110 K147D109-N112 WeakPolarHBondContact O-CB 3.34Å; D109-N112 PolarHBondContact O-N 3.04Å; R110-N112 PolarHBondContact O-N 2.83Å; N112-K147 WeakPolarHBondContact OD1-CE 3.5Å
113Y89.2Confident89.9Confident164 Ų16462.5 Ų62.564%0.64331%0.305SS*.SBendtrans-86.8147179.2-58.8-86.3000111.3D109 R110 A111 H149D109-Y113 WeakPolarHBondContact O-CD2 3.26Å; D109-Y113 WeakPolarHBondContact O-CE2 3.26Å; R110-Y113 PolarHBondContact O-N 3.43Å; A111-Y113 VanDerWaalsContact C-N 3.25Å; A111-Y113 PolarHBondContact O-N 3.12Å; Y113-H149 PolarHBondContact O-CD2 3.08Å; Y113-H149 PolarHBondContact O-NE2 3.36Å
114A90Very high90.3Very high72 Ų7258.7 Ų58.760%0.59529%0.287SS*.PPolyproline II helixtrans-61.8156.1174.500000111.5
115P91.6Very high90.6Very high30 Ų3058.6 Ų58.620%0.19529%0.286CS..PPolyproline II helixtrans-65.1150.2173.6-11.727.5000111.1D89 A118 K121 H149D89-P115 VanDerWaalsContact OD1-CA 3.22Å; D89-P115 WeakPolarHBondContact OD1-CA 3.49Å; D89-P115 WeakPolarHBondContact OD1-CB 3.15Å; P115-A118 VanDerWaalsContact CB-O 3.31Å; P115-A118 WeakPolarHBondContact CB-O 3.25Å; P115-K121 HydrophobicContact CB-CB 4.37Å; P115-K121 HydrophobicContact CG-CB 4.15Å; P115-H149 HydrophobicContact CG-CB 3.99Å
116T89.3Confident90.9Very high100 Ų10054.5 Ų54.561%0.61327%0.273SS*.SBendtrans-76.5-49.3-177.9-520000111.8D89D89-T116 VanDerWaalsContact CG-N 3.33Å; D89-T116 PolarHBondContact OD1-N 3.17Å; D89-T116 PolarHBondContact OD2-N 3.33Å
117T88.4Confident91.3Very high96 Ų9651.5 Ų51.559%0.58926%0.26SS*.SBendtrans-132.4-27.6-174.561.30000113.2Q87 D89Q87-T117 PolarHBondContact NE2-OG1 3.34Å; Q87-T117 VanDerWaalsContact NE2-OG1 3.12Å; Q87-T117 PolarHBondContact OE1-OG1 2.99Å; D89-T117 PolarHBondContact OD2-N 2.93Å; D89-T117 PolarHBondContact OD2-OG1 2.75Å
118A90.9Very high91.6Very high14 Ų1450.9 Ų50.912%0.11626%0.257CS..SBendtrans-81.5163.9-178.200000112.5N63 M78 D89 P115 Y120N63-A118 HydrophobicContact CB-CB 4.34Å; M78-A118 HydrophobicContact CE-CB 3.76Å; M78-A118 HydrophobicContact SD-CB 4.11Å; D89-A118 HydrophobicContact CB-CB 3.5Å; D89-A118 WeakPolarHBondContact OD2-CB 3.13Å; D89-A118 PolarHBondContact OD2-N 3.3Å; P115-A118 VanDerWaalsContact CB-O 3.31Å; P115-A118 WeakPolarHBondContact CB-O 3.25Å; A118-Y120 WeakPolarHBondContact CB-O 3.4Å
119K91.9Very high92Very high122 Ų12248.9 Ų48.953%0.5325%0.25SS..SBendtrans-72.4-38.5171.9-176.11771761790111.3N63N63-K119 PolarHBondContact OD1-N 3.32Å
120Y94.9Very high92.3Very high40 Ų4049.7 Ų49.716%0.15725%0.253CS..SBendtrans-127.5141.2179.3-62-78.5000110.7I62 N63 A118 H149 I151I62-Y120 HydrophobicContact CB-CD2 4.12Å; I62-Y120 HydrophobicContact CB-CE2 4.49Å; I62-Y120 HydrophobicContact CD1-CD2 4.28Å; I62-Y120 HydrophobicContact CD1-CG 4.47Å; I62-Y120 HydrophobicContact CG1-CD2 4.36Å; N63-Y120 PolarHBondContact ND2-O 3.38Å; N63-Y120 PolarHBondContact OD1-N 3.32Å; N63-Y120 PolarHBondContact OD1-O 3.45Å; A118-Y120 WeakPolarHBondContact CB-O 3.4Å; Y120-H149 CarbonylContact C-O 3.4Å; Y120-H149 WeakPolarHBondContact CA-O 3.46Å; Y120-I151 HydrophobicContact CD1-CD1 3.76Å; Y120-I151 HydrophobicContact CD1-CG1 4.19Å; Y120-I151 HydrophobicContact CD2-CD1 4.29Å; Y120-I151 HydrophobicContact CE1-CD1 4.22Å; Y120-I151 HydrophobicContact CG-CD1 3.81Å; Y120-I151 HydrophobicContact CG-CG1 4.49Å
121K95.1Very high92.6Very high20 Ų2044.2 Ų44.29%0.08723%0.233CC..EExtended strand (participates in β ladder)trans-87.4117167.7-165.3171.9-164.7168.40109.1D89 R110 P115 Y123 H149 V150 I151D89-K121 CarbonylContact O-C 3.57Å; D89-K121 WeakPolarHBondContact O-CA 3.41Å; R110-K121 PolarHBondContact O-NZ 3.4Å; P115-K121 HydrophobicContact CB-CB 4.37Å; P115-K121 HydrophobicContact CG-CB 4.15Å; K121-Y123 HydrophobicContact CD-CE2 4.1Å; K121-Y123 VanDerWaalsContact CE-OH 3.26Å; K121-Y123 WeakPolarHBondContact CE-OH 3.44Å; K121-Y123 HydrophobicContact CG-CE2 3.98Å; K121-H149 PolarHBondContact N-O 2.91Å; K121-V150 WeakPolarHBondContact O-CA 3.5Å; K121-I151 PolarHBondContact O-N 3.17Å
122V95.8Very high92.8Very high0 Ų046.2 Ų46.20%025%0.247CC..EExtended strand (participates in β ladder)trans-112123.6-171.2-169.50000110.1A59 I62 D89 V90 I91 I124 I151 V153A59-V122 HydrophobicContact CB-CB 4.22Å; A59-V122 HydrophobicContact CB-CG1 3.91Å; A59-V122 HydrophobicContact CB-CG2 4.21Å; I62-V122 HydrophobicContact CD1-CG2 3.53Å; I62-V122 HydrophobicContact CG1-CG2 4.42Å; D89-V122 PolarHBondContact O-N 2.97Å; V90-V122 WeakPolarHBondContact CA-O 3.48Å; V90-V122 HydrophobicContact CG1-CB 4.47Å; V90-V122 HydrophobicContact CG2-CB 4.25Å; V90-V122 HydrophobicContact CG2-CG2 4.34Å; I91-V122 PolarHBondContact N-O 3.29Å; V122-I124 HydrophobicContact CG1-CG1 4.2Å; V122-I151 WeakPolarHBondContact CA-O 3.23Å; V122-V153 HydrophobicContact CG1-CG2 4.19Å
123Y95.3Very high93Very high1 Ų147.7 Ų47.70%0.00426%0.259CS..EExtended strand (participates in β ladder)trans-106.1111.7173.7-68.8-84.4000109.6I91 I93 I107 A111 K121 V150 I151 F152 V153I91-Y123 HydrophobicContact CB-CD1 3.99Å; I91-Y123 HydrophobicContact CB-CE1 4.2Å; I91-Y123 HydrophobicContact CD1-CD1 4.08Å; I91-Y123 HydrophobicContact CD1-CE1 3.41Å; I91-Y123 VanDerWaalsContact CD1-CE1 3.41Å; I91-Y123 HydrophobicContact CG1-CE1 4.37Å; I91-Y123 HydrophobicContact CG2-CD1 4.32Å; I91-Y123 HydrophobicContact CG2-CE1 4.49Å; I93-Y123 HydrophobicContact CD1-CD1 4.24Å; I107-Y123 HydrophobicContact CB-CE1 4.32Å; I107-Y123 HydrophobicContact CG1-CE1 4.33Å; I107-Y123 HydrophobicContact CG2-CD1 3.63Å; I107-Y123 HydrophobicContact CG2-CE1 3.56Å; I107-Y123 HydrophobicContact CG2-CG 4.21Å; I107-Y123 PolarHBondContact O-OH 2.7Å; A111-Y123 HydrophobicContact CB-CE2 3.93Å; A111-Y123 PolarHBondContact N-OH 3.49Å; K121-Y123 HydrophobicContact CD-CE2 4.1Å; K121-Y123 VanDerWaalsContact CE-OH 3.26Å; K121-Y123 WeakPolarHBondContact CE-OH 3.44Å; K121-Y123 HydrophobicContact CG-CE2 3.98Å; Y123-V150 HydrophobicContact CD2-CG1 3.95Å; Y123-V150 HydrophobicContact CE2-CG1 4.02Å; Y123-I151 PolarHBondContact N-O 3.31Å; Y123-F152 HydrophobicContact CD2-CD1 4.38Å; Y123-F152 AromaticContact CD2-CE1 3.84Å; Y123-F152 HydrophobicContact CD2-CE1 3.84Å; Y123-F152 AromaticContact CD2-CZ 4Å; Y123-F152 HydrophobicContact CD2-CZ 4Å; Y123-F152 HydrophobicContact CG-CD1 4.23Å; Y123-F152 AromaticContact CG-CE1 3.81Å; Y123-F152 HydrophobicContact CG-CE1 3.81Å; Y123-F152 HydrophobicContact CG-CZ 4.42Å; Y123-V153 PolarHBondContact O-N 3.2Å
124I96.5Very high93.1Very high1 Ų141 Ų411%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-98111.1174-56.6174.8000107.5A55 K56 A59 V90 I91 E92 I93 V122 V153A55-I124 HydrophobicContact CB-CD1 4.05Å; A55-I124 HydrophobicContact CB-CG1 4.25Å; A55-I124 HydrophobicContact CB-CG2 3.82Å; K56-I124 HydrophobicContact CG-CD1 3.97Å; A59-I124 HydrophobicContact CB-CD1 4.33Å; V90-I124 HydrophobicContact CG1-CD1 4.22Å; I91-I124 PolarHBondContact O-N 3.21Å; E92-I124 CarbonylContact C-O 3.55Å; E92-I124 WeakPolarHBondContact CA-O 3.47Å; E92-I124 HydrophobicContact CG-CG2 4.49Å; I93-I124 PolarHBondContact N-O 3.31Å; V122-I124 HydrophobicContact CG1-CG1 4.2Å; I124-V153 CarbonylContact C-O 3.31Å; I124-V153 WeakPolarHBondContact CA-O 3.39Å; I124-V153 HydrophobicContact CG1-CB 4.38Å
125I95.2Very high93.2Very high0 Ų037.6 Ų37.60%021%0.212CC..EExtended strand (participates in β ladder)trans-107.8102.3177.8-53.1179.9000107.8I93 A95 V128 L139 F152 V153 L154 A155I93-I125 HydrophobicContact CD1-CG1 4.43Å; I93-I125 CarbonylContact O-C 3.59Å; I93-I125 WeakPolarHBondContact O-CA 3.4Å; A95-I125 HydrophobicContact CB-CG2 4Å; I125-V128 HydrophobicContact CG2-CB 4.1Å; I125-V128 HydrophobicContact CG2-CG2 4.03Å; I125-L139 HydrophobicContact CD1-CD1 4.43Å; I125-L139 HydrophobicContact CD1-CD2 4.28Å; I125-F152 HydrophobicContact CD1-CD1 4.38Å; I125-V153 PolarHBondContact N-O 3.4Å; I125-L154 HydrophobicContact CB-CD2 3.94Å; I125-L154 HydrophobicContact CD1-CD2 3.82Å; I125-L154 HydrophobicContact CG1-CD2 4.11Å; I125-A155 PolarHBondContact O-N 3.44Å
126D95.2Very high93.2Very high22 Ų2236.7 Ų36.712%0.11821%0.205CC..EExtended strand (participates in β ladder)trans-82.6149.3177.4-152.4-0.3000111.2T52 I93 A95 V128 A155T52-D126 HydrophobicContact CG2-CB 4.46Å; T52-D126 VanDerWaalsContact CG2-OD2 3.24Å; T52-D126 WeakPolarHBondContact CG2-OD2 3.41Å; T52-D126 PolarHBondContact OG1-OD1 3.3Å; T52-D126 PolarHBondContact OG1-OD2 3.11Å; I93-D126 PolarHBondContact O-N 3.3Å; A95-D126 WeakPolarHBondContact CB-O 3.48Å; A95-D126 PolarHBondContact N-O 2.89Å; D126-V128 VanDerWaalsContact C-N 3.25Å; D126-V128 PolarHBondContact O-N 3.37Å; D126-A155 WeakPolarHBondContact OD1-CB 3.39Å
127E94.9Very high93.3Very high43 Ų4336.8 Ų36.820%0.20120%0.202CC..THydrogen-bonded Turntrans44.944.7-173-56-61.4-179.300114.4A95 H129 M130 A155 T157A95-E127 WeakPolarHBondContact CB-O 3.49Å; E127-H129 PolarHBondContact O-N 3.13Å; E127-H129 IonicContact OE2-CE1 3.4Å; E127-H129 PolarHBondContact OE2-CE1 3.06Å; E127-H129 IonicContact OE2-ND1 3.29Å; E127-H129 PolarHBondContact OE2-ND1 2.85Å; E127-M130 HydrophobicContact CB-CG 4.17Å; E127-M130 VanDerWaalsContact O-CB 3.31Å; E127-M130 WeakPolarHBondContact O-CB 3.42Å; E127-M130 WeakPolarHBondContact O-CG 3.26Å; E127-M130 PolarHBondContact O-N 2.99Å; E127-A155 WeakPolarHBondContact CA-O 3.49Å; E127-A155 PolarHBondContact N-O 3.22Å; E127-T157 WeakPolarHBondContact OE1-CG2 3.38Å; E127-T157 PolarHBondContact OE2-N 2.96Å; E127-T157 PolarHBondContact OE2-OG1 3.1Å
128V95Very high93.3Very high0 Ų032.6 Ų32.60%018%0.177CC..G310 helixtrans-52.8-23.9-174.371.10000114.3I125 D126 M130 L131 F136 L154 A155 I162I125-V128 HydrophobicContact CG2-CB 4.1Å; I125-V128 HydrophobicContact CG2-CG2 4.03Å; D126-V128 VanDerWaalsContact C-N 3.25Å; D126-V128 PolarHBondContact O-N 3.37Å; V128-M130 PolarHBondContact O-N 3.37Å; V128-M130 VanDerWaalsContact O-N 3.16Å; V128-L131 HydrophobicContact CG2-CD1 3.68Å; V128-L131 HydrophobicContact CG2-CG 4.24Å; V128-L131 WeakPolarHBondContact O-CB 3.41Å; V128-L131 WeakPolarHBondContact O-CG 3.42Å; V128-L131 PolarHBondContact O-N 3.32Å; V128-L131 VanDerWaalsContact O-N 3.1Å; V128-F136 HydrophobicContact CG2-CE1 4.02Å; V128-F136 HydrophobicContact CG2-CZ 4.4Å; V128-F136 WeakPolarHBondContact O-CZ 3.43Å; V128-L154 HydrophobicContact CB-CB 4.39Å; V128-L154 HydrophobicContact CG1-CB 4.13Å; V128-L154 HydrophobicContact CG2-CB 4.46Å; V128-L154 HydrophobicContact CG2-CD1 4.45Å; V128-L154 HydrophobicContact CG2-CD2 4.25Å; V128-A155 PolarHBondContact N-O 3.39Å; V128-I162 HydrophobicContact CG1-CD1 3.46Å; V128-I162 VanDerWaalsContact CG1-CD1 3.46Å; V128-I162 HydrophobicContact CG1-CG1 4.2Å
129H94Very high93.3Very high22 Ų2232 Ų3210%0.10217%0.172CC..G310 helixtrans-64-14.6175.569.5-90.4000113.8E127 L131 T156 T157 E158 K161 I162E127-H129 PolarHBondContact O-N 3.13Å; E127-H129 IonicContact OE2-CE1 3.4Å; E127-H129 PolarHBondContact OE2-CE1 3.06Å; E127-H129 IonicContact OE2-ND1 3.29Å; E127-H129 PolarHBondContact OE2-ND1 2.85Å; H129-L131 VanDerWaalsContact C-N 3.35Å; H129-T156 PolarHBondContact ND1-OG1 3.36Å; H129-T157 PolarHBondContact CE1-OG1 3.07Å; H129-E158 HydrophobicContact CB-CB 4.47Å; H129-E158 IonicContact CD2-OE2 3.12Å; H129-E158 PolarHBondContact CD2-OE2 2.91Å; H129-E158 VanDerWaalsContact CD2-OE2 3.26Å; H129-E158 IonicContact NE2-OE2 2.63Å; H129-E158 PolarHBondContact NE2-OE2 3.46Å; H129-K161 HydrophobicContact CB-CB 3.93Å; H129-I162 HydrophobicContact CB-CG1 4.29Å
130M93.7Very high93.3Very high85 Ų8527.3 Ų27.342%0.41915%0.153SC..G310 helixtrans-83.2-8.5175.5-64.1-63.1-70.100113.3A95 A96 N99 E127 V128A95-M130 HydrophobicContact CB-CB 4.39Å; A96-M130 HydrophobicContact CB-CB 4.42Å; A96-M130 HydrophobicContact CB-CE 4.49Å; A96-M130 HydrophobicContact CB-CG 4.26Å; N99-M130 VanDerWaalsContact CB-O 3.31Å; N99-M130 WeakPolarHBondContact CB-O 3.48Å; E127-M130 HydrophobicContact CB-CG 4.17Å; E127-M130 VanDerWaalsContact O-CB 3.31Å; E127-M130 WeakPolarHBondContact O-CB 3.42Å; E127-M130 WeakPolarHBondContact O-CG 3.26Å; E127-M130 PolarHBondContact O-N 2.99Å; V128-M130 PolarHBondContact O-N 3.37Å; V128-M130 VanDerWaalsContact O-N 3.16Å
131L93.1Very high92.8Very high10 Ų1031.9 Ų31.95%0.05217%0.173CC..SBendtrans-62.8141.6174.9-70.3-176.4000111.3A95 I104 V128 H129 A135 F136A95-L131 HydrophobicContact CB-CD2 3.65Å; A95-L131 HydrophobicContact CB-CG 3.85Å; I104-L131 HydrophobicContact CD1-CD1 4.26Å; I104-L131 HydrophobicContact CD1-CD2 4.03Å; I104-L131 HydrophobicContact CG1-CD1 4.45Å; I104-L131 HydrophobicContact CG1-CD2 4.16Å; V128-L131 HydrophobicContact CG2-CD1 3.68Å; V128-L131 HydrophobicContact CG2-CG 4.24Å; V128-L131 WeakPolarHBondContact O-CB 3.41Å; V128-L131 WeakPolarHBondContact O-CG 3.42Å; V128-L131 PolarHBondContact O-N 3.32Å; V128-L131 VanDerWaalsContact O-N 3.1Å; H129-L131 VanDerWaalsContact C-N 3.35Å; L131-A135 HydrophobicContact CB-CB 4.06Å; L131-A135 HydrophobicContact CD2-CB 4.22Å; L131-F136 HydrophobicContact CB-CD2 4Å; L131-F136 HydrophobicContact CB-CE2 3.8Å; L131-F136 HydrophobicContact CB-CG 4.48Å; L131-F136 HydrophobicContact CB-CZ 4.11Å; L131-F136 HydrophobicContact CD1-CE1 4.48Å; L131-F136 WeakPolarHBondContact O-CE2 3.43Å
132S92.4Very high92.4Very high42 Ų4231.6 Ų31.629%0.29417%0.173SC..  trans-62.8158.4170.764.70000111.6N99 G134 A135 F136N99-S132 VanDerWaalsContact O-CB 3.3Å; N99-S132 WeakPolarHBondContact O-CB 3.37Å; N99-S132 PolarHBondContact O-N 3.46Å; N99-S132 VanDerWaalsContact O-N 3.09Å; N99-S132 PolarHBondContact O-OG 3.37Å; S132-G134 PolarHBondContact O-N 2.87Å; S132-A135 WeakPolarHBondContact O-CB 3.31Å; S132-A135 PolarHBondContact O-N 2.87Å; S132-A135 VanDerWaalsContact OG-CB 3.26Å; S132-A135 WeakPolarHBondContact OG-CB 3.36Å; S132-A135 PolarHBondContact OG-N 3.17Å; S132-F136 WeakPolarHBondContact O-CD2 3.37Å; S132-F136 PolarHBondContact O-N 3.01Å
133T90.8Very high92.2Very high117 Ų11731.7 Ų31.772%0.71817%0.174SC*.Hα-helixtrans-58.6-37.6176.450.90000112.3F136 N137T133-F136 PolarHBondContact O-N 3.48Å; T133-N137 PolarHBondContact O-N 3.1Å; T133-N137 VanDerWaalsContact O-N 3.16Å; T133-N137 PolarHBondContact O-ND2 3.29Å
134G91.2Very high91.9Very high25 Ų2536.4 Ų36.426%0.25820%0.196SC..Hα-helixtrans-64.2-39.717400000112.7S132 N137 A138S132-G134 PolarHBondContact O-N 2.87Å; G134-N137 PolarHBondContact O-N 3.46Å; G134-A138 PolarHBondContact O-N 2.93Å
135A92.1Very high91.5Very high0 Ų043.8 Ų43.80%023%0.23CC..Hα-helixtrans-65.4-42.7177.200000111.5I104 L131 S132 N137 A138 L139I104-A135 HydrophobicContact CB-CB 4.39Å; I104-A135 HydrophobicContact CG1-CB 3.76Å; L131-A135 HydrophobicContact CB-CB 4.06Å; L131-A135 HydrophobicContact CD2-CB 4.22Å; S132-A135 WeakPolarHBondContact O-CB 3.31Å; S132-A135 PolarHBondContact O-N 2.87Å; S132-A135 VanDerWaalsContact OG-CB 3.26Å; S132-A135 WeakPolarHBondContact OG-CB 3.36Å; S132-A135 PolarHBondContact OG-N 3.17Å; A135-N137 VanDerWaalsContact C-N 3.33Å; A135-N137 PolarHBondContact O-N 2.83Å; A135-A138 PolarHBondContact O-N 3.3Å; A135-L139 PolarHBondContact O-N 3.27Å
136F92.7Very high91.1Very high10 Ų1046.1 Ų46.14%0.04425%0.246CC..Hα-helixtrans-57.5-44.3172-84.2-65.3000112.5V128 L131 S132 T133 A138 L139 L140 I162 P163 I166V128-F136 HydrophobicContact CG2-CE1 4.02Å; V128-F136 HydrophobicContact CG2-CZ 4.4Å; V128-F136 WeakPolarHBondContact O-CZ 3.43Å; L131-F136 HydrophobicContact CB-CD2 4Å; L131-F136 HydrophobicContact CB-CE2 3.8Å; L131-F136 HydrophobicContact CB-CG 4.48Å; L131-F136 HydrophobicContact CB-CZ 4.11Å; L131-F136 HydrophobicContact CD1-CE1 4.48Å; L131-F136 WeakPolarHBondContact O-CE2 3.43Å; S132-F136 WeakPolarHBondContact O-CD2 3.37Å; S132-F136 PolarHBondContact O-N 3.01Å; T133-F136 PolarHBondContact O-N 3.48Å; F136-A138 VanDerWaalsContact C-N 3.32Å; F136-A138 PolarHBondContact O-N 3.25Å; F136-L139 PolarHBondContact O-N 3.46Å; F136-L140 WeakPolarHBondContact O-CG 3.31Å; F136-L140 PolarHBondContact O-N 3.11Å; F136-I162 HydrophobicContact CE1-CG2 4.25Å; F136-P163 HydrophobicContact CB-CG 4.42Å; F136-P163 HydrophobicContact CD1-CG 4.28Å; F136-P163 HydrophobicContact CD2-CG 4.31Å; F136-P163 HydrophobicContact CG-CG 4.1Å; F136-I166 HydrophobicContact CD1-CD1 4.22Å; F136-I166 HydrophobicContact CD1-CG1 3.91Å; F136-I166 HydrophobicContact CE1-CG1 4.41Å
137N90.1Very high90.8Very high102 Ų10249.4 Ų49.455%0.54526%0.259SS..Hα-helixtrans-66.1-34.5178.6-69.8-26.4000112.9T133 G134 A135T133-N137 PolarHBondContact O-N 3.1Å; T133-N137 VanDerWaalsContact O-N 3.16Å; T133-N137 PolarHBondContact O-ND2 3.29Å; G134-N137 PolarHBondContact O-N 3.46Å; A135-N137 VanDerWaalsContact C-N 3.33Å; A135-N137 PolarHBondContact O-N 2.83Å
138A89.5Confident90.6Very high9 Ų956.4 Ų56.47%0.07429%0.291CS..Hα-helixtrans-66.1-39.9174.100000111.6V101 I104 R105 G134 A135 F136V101-A138 HydrophobicContact CG1-CB 4.32Å; I104-A138 HydrophobicContact CB-CB 4.37Å; I104-A138 HydrophobicContact CG2-CB 3.79Å; R105-A138 HydrophobicContact CG-CB 4.32Å; G134-A138 PolarHBondContact O-N 2.93Å; A135-A138 PolarHBondContact O-N 3.3Å; F136-A138 VanDerWaalsContact C-N 3.32Å; F136-A138 PolarHBondContact O-N 3.25Å
139L90.8Very high90.4Very high1 Ų158.4 Ų58.41%0.00530%0.301CS..Hα-helixtrans-69.3-33.5177.7-171.763.6000112.8I104 I125 A135 F136 K141 T142 L143 F152 L154I104-L139 HydrophobicContact CG2-CB 3.98Å; I125-L139 HydrophobicContact CD1-CD1 4.43Å; I125-L139 HydrophobicContact CD1-CD2 4.28Å; A135-L139 PolarHBondContact O-N 3.27Å; F136-L139 PolarHBondContact O-N 3.46Å; L139-K141 VanDerWaalsContact C-N 3.27Å; L139-K141 PolarHBondContact O-N 3.12Å; L139-T142 PolarHBondContact O-N 3.47Å; L139-T142 VanDerWaalsContact O-N 3.13Å; L139-L143 HydrophobicContact CD2-CD1 4.13Å; L139-L143 HydrophobicContact CG-CD1 3.88Å; L139-L143 HydrophobicContact CG-CG 4.16Å; L139-L143 PolarHBondContact O-N 2.91Å; L139-L143 VanDerWaalsContact O-N 3.12Å; L139-F152 HydrophobicContact CD1-CD1 4.12Å; L139-F152 HydrophobicContact CD1-CE1 3.74Å; L139-F152 HydrophobicContact CD1-CZ 4.14Å; L139-L154 HydrophobicContact CD2-CD2 4.26Å
140L91Very high90.4Very high23 Ų2357.6 Ų57.612%0.1230%0.297CS..Hα-helixtrans-53.7-42.3-178.8-83.6172.8000112.7F136 T142 L143 E144 I166F136-L140 WeakPolarHBondContact O-CG 3.31Å; F136-L140 PolarHBondContact O-N 3.11Å; L140-T142 VanDerWaalsContact C-N 3.31Å; L140-T142 PolarHBondContact O-N 2.96Å; L140-L143 PolarHBondContact O-N 2.82Å; L140-E144 WeakPolarHBondContact O-CB 3.29Å; L140-E144 WeakPolarHBondContact O-CG 3.45Å; L140-E144 PolarHBondContact O-N 3.4Å; L140-I166 HydrophobicContact CD2-CD1 3.42Å; L140-I166 VanDerWaalsContact CD2-CD1 3.42Å; L140-I166 HydrophobicContact CD2-CG1 3.99Å; L140-I166 HydrophobicContact CG-CD1 3.75Å; L140-I166 HydrophobicContact CG-CG1 4.48Å
141K85.1Confident90.5Very high137 Ų13753.7 Ų53.760%0.59628%0.278SS*.Hα-helixtrans-58.8-43.2-179.8-67-171.7177.7-172.10112L139 E144 E145L139-K141 VanDerWaalsContact C-N 3.27Å; L139-K141 PolarHBondContact O-N 3.12Å; K141-E144 PolarHBondContact O-N 2.89Å; K141-E145 PolarHBondContact O-N 2.8Å; K141-E145 VanDerWaalsContact O-N 3.1Å
142T87.1Confident90.7Very high13 Ų1353.3 Ų53.38%0.0828%0.276CS..Hα-helixtrans-71.9-31.9179.6-32.90000112.6R108 A111 L139 L140 E145 P146 F152R108-T142 VanDerWaalsContact CG-OG1 3.3Å; R108-T142 WeakPolarHBondContact CG-OG1 3.28Å; A111-T142 HydrophobicContact CB-CG2 4.21Å; L139-T142 PolarHBondContact O-N 3.47Å; L139-T142 VanDerWaalsContact O-N 3.13Å; L140-T142 VanDerWaalsContact C-N 3.31Å; L140-T142 PolarHBondContact O-N 2.96Å; T142-E145 CarbonylContact O-C 3.59Å; T142-P146 WeakPolarHBondContact O-CA 3.46Å; T142-F152 HydrophobicContact CG2-CE2 3.69Å; T142-F152 HydrophobicContact CG2-CZ 3.83Å
143L90.3Very high90.9Very high3 Ų351.3 Ų51.32%0.01626%0.262CS..Hα-helixtrans-76.3-27.1176-68175.1000112.4A40 L139 L140 F152 I166A40-L143 HydrophobicContact CB-CD2 3.58Å; L139-L143 HydrophobicContact CD2-CD1 4.13Å; L139-L143 HydrophobicContact CG-CD1 3.88Å; L139-L143 HydrophobicContact CG-CG 4.16Å; L139-L143 PolarHBondContact O-N 2.91Å; L139-L143 VanDerWaalsContact O-N 3.12Å; L140-L143 PolarHBondContact O-N 2.82Å; L143-F152 HydrophobicContact CD2-CB 4.15Å; L143-F152 HydrophobicContact CD2-CD2 3.85Å; L143-F152 HydrophobicContact CD2-CG 4.09Å; L143-I166 HydrophobicContact CD1-CD1 3.57Å; L143-I166 HydrophobicContact CD1-CG2 4.2Å
144E89.3Confident91.2Very high99 Ų9945.7 Ų45.746%0.46323%0.228SC..Hα-helixtrans-75.7-39.4174.5-80.7174.5176.300112.4L140 K141 P146 R169L140-E144 WeakPolarHBondContact O-CB 3.29Å; L140-E144 WeakPolarHBondContact O-CG 3.45Å; L140-E144 PolarHBondContact O-N 3.4Å; K141-E144 PolarHBondContact O-N 2.89Å; E144-P146 VanDerWaalsContact O-CD 3.32Å; E144-P146 WeakPolarHBondContact O-CD 3.45Å; E144-R169 IonicContact OE1-CZ 2.72Å; E144-R169 IonicContact OE1-NE 3.86Å; E144-R169 IonicContact OE1-NH1 3.85Å; E144-R169 IonicContact OE1-NH2 3.04Å; E144-R169 PolarHBondContact OE1-NH2 3.29Å
145E88.3Confident91.5Very high157 Ų15744.5 Ų44.573%0.73422%0.215SC*.SBendtrans-12266.1-179.2-63.6-179.3-177.100111K141 T142K141-E145 PolarHBondContact O-N 2.8Å; K141-E145 VanDerWaalsContact O-N 3.1Å; T142-E145 CarbonylContact O-C 3.59Å
146P86Confident91.7Very high49 Ų4944.5 Ų44.532%0.31822%0.215SC..  trans-68.9140.4-175.929.8-35.8000111.3H39 T142 E144H39-P146 HydrophobicContact CB-CB 3.51Å; H39-P146 HydrophobicContact CB-CG 3.8Å; T142-P146 WeakPolarHBondContact O-CA 3.46Å; E144-P146 VanDerWaalsContact O-CD 3.32Å; E144-P146 WeakPolarHBondContact O-CD 3.45Å
147K90.6Very high91.8Very high91 Ų9146 Ų4640%0.39623%0.225SC..  trans-77.8144.2167.2-55-58-176.4-172.70109.5N112 H149 V150N112-K147 WeakPolarHBondContact OD1-CE 3.5Å; K147-H149 PolarHBondContact O-N 2.93Å; K147-H149 VanDerWaalsContact O-N 3.14Å; K147-V150 HydrophobicContact CB-CB 4.37Å; K147-V150 HydrophobicContact CB-CG2 3.94Å; K147-V150 PolarHBondContact O-N 3.35Å
148E89Confident91.9Very high189 Ų18944 Ų4488%0.88321%0.212SC*.THydrogen-bonded Turntrans-59-29.5-176.8-64.5-173.2164.400113.4
149H92.1Very high92.1Very high43 Ų4345 Ų4520%0.19922%0.218CC..THydrogen-bonded Turntrans-89.71.3-179.763.9-87000114.2A111 Y113 P115 Y120 K121 K147A111-H149 PolarHBondContact O-NE2 2.89Å; Y113-H149 PolarHBondContact O-CD2 3.08Å; Y113-H149 PolarHBondContact O-NE2 3.36Å; P115-H149 HydrophobicContact CG-CB 3.99Å; Y120-H149 CarbonylContact C-O 3.4Å; Y120-H149 WeakPolarHBondContact CA-O 3.46Å; K121-H149 PolarHBondContact N-O 2.91Å; K147-H149 PolarHBondContact O-N 2.93Å; K147-H149 VanDerWaalsContact O-N 3.14Å
150V94.1Very high92.2Very high4 Ų451.8 Ų51.82%0.02425%0.25CC..EExtended strand (participates in β ladder)trans-111.1131-176.3178.90000110.9A111 K121 Y123 K147 F152A111-V150 HydrophobicContact CB-CG1 4.27Å; A111-V150 HydrophobicContact CB-CG2 4.18Å; A111-V150 VanDerWaalsContact O-CG2 3.25Å; A111-V150 WeakPolarHBondContact O-CG2 3.39Å; K121-V150 WeakPolarHBondContact O-CA 3.5Å; Y123-V150 HydrophobicContact CD2-CG1 3.95Å; Y123-V150 HydrophobicContact CE2-CG1 4.02Å; K147-V150 HydrophobicContact CB-CB 4.37Å; K147-V150 HydrophobicContact CB-CG2 3.94Å; K147-V150 PolarHBondContact O-N 3.35Å; V150-F152 HydrophobicContact CG1-CD2 4.05Å; V150-F152 HydrophobicContact CG1-CE2 3.53Å; V150-F152 HydrophobicContact CG1-CZ 4.06Å
151I95.4Very high92.3Very high3 Ų355.8 Ų55.82%0.01527%0.266CS..EExtended strand (participates in β ladder)trans-127.7127.3175-60.1176000110.4H39 Y41 F58 I62 Y120 K121 V122 Y123 V153H39-I151 WeakPolarHBondContact O-CA 3.17Å; Y41-I151 HydrophobicContact CD2-CG2 3.89Å; Y41-I151 HydrophobicContact CE2-CG2 3.95Å; F58-I151 HydrophobicContact CE1-CG2 4.06Å; I62-I151 HydrophobicContact CD1-CD1 3.75Å; Y120-I151 HydrophobicContact CD1-CD1 3.76Å; Y120-I151 HydrophobicContact CD1-CG1 4.19Å; Y120-I151 HydrophobicContact CD2-CD1 4.29Å; Y120-I151 HydrophobicContact CE1-CD1 4.22Å; Y120-I151 HydrophobicContact CG-CD1 3.81Å; Y120-I151 HydrophobicContact CG-CG1 4.49Å; K121-I151 PolarHBondContact O-N 3.17Å; V122-I151 WeakPolarHBondContact CA-O 3.23Å; Y123-I151 PolarHBondContact N-O 3.31Å; I151-V153 HydrophobicContact CG2-CG2 4.47Å
152F96Very high92.7Very high2 Ų249.7 Ų49.71%0.00924%0.24CC..EExtended strand (participates in β ladder)trans-98133.2172.8-72.2-84000111.3H39 A40 Y41 I107 Y123 I125 L139 T142 L143 V150 L154H39-F152 PolarHBondContact O-N 3.5Å; A40-F152 CarbonylContact C-O 3.52Å; A40-F152 WeakPolarHBondContact CA-O 3.38Å; A40-F152 HydrophobicContact CB-CB 4.23Å; Y41-F152 PolarHBondContact N-O 3.47Å; I107-F152 HydrophobicContact CG2-CE1 4.21Å; Y123-F152 HydrophobicContact CD2-CD1 4.38Å; Y123-F152 AromaticContact CD2-CE1 3.84Å; Y123-F152 HydrophobicContact CD2-CE1 3.84Å; Y123-F152 AromaticContact CD2-CZ 4Å; Y123-F152 HydrophobicContact CD2-CZ 4Å; Y123-F152 HydrophobicContact CG-CD1 4.23Å; Y123-F152 AromaticContact CG-CE1 3.81Å; Y123-F152 HydrophobicContact CG-CE1 3.81Å; Y123-F152 HydrophobicContact CG-CZ 4.42Å; I125-F152 HydrophobicContact CD1-CD1 4.38Å; L139-F152 HydrophobicContact CD1-CD1 4.12Å; L139-F152 HydrophobicContact CD1-CE1 3.74Å; L139-F152 HydrophobicContact CD1-CZ 4.14Å; T142-F152 HydrophobicContact CG2-CE2 3.69Å; T142-F152 HydrophobicContact CG2-CZ 3.83Å; L143-F152 HydrophobicContact CD2-CB 4.15Å; L143-F152 HydrophobicContact CD2-CD2 3.85Å; L143-F152 HydrophobicContact CD2-CG 4.09Å; V150-F152 HydrophobicContact CG1-CD2 4.05Å; V150-F152 HydrophobicContact CG1-CE2 3.53Å; V150-F152 HydrophobicContact CG1-CZ 4.06Å; F152-L154 HydrophobicContact CB-CD2 4.43Å
153V97.3Very high93Very high0 Ų051.3 Ų51.30%025%0.251CS..EExtended strand (participates in β ladder)trans-122.4103.5170.3-172.30000108.3F43 A55 F58 V122 Y123 I124 I125 I151F43-V153 HydrophobicContact CD2-CG1 3.7Å; F43-V153 HydrophobicContact CE2-CG1 3.58Å; F43-V153 HydrophobicContact CG-CG1 4.24Å; F43-V153 HydrophobicContact CZ-CG1 4.01Å; A55-V153 HydrophobicContact CB-CB 4.3Å; A55-V153 HydrophobicContact CB-CG1 3.52Å; F58-V153 HydrophobicContact CD1-CG2 4.07Å; F58-V153 HydrophobicContact CE1-CG2 4.4Å; V122-V153 HydrophobicContact CG1-CG2 4.19Å; Y123-V153 PolarHBondContact O-N 3.2Å; I124-V153 CarbonylContact C-O 3.31Å; I124-V153 WeakPolarHBondContact CA-O 3.39Å; I124-V153 HydrophobicContact CG1-CB 4.38Å; I125-V153 PolarHBondContact N-O 3.4Å; I151-V153 HydrophobicContact CG2-CG2 4.47Å
154L97.1Very high93.2Very high0 Ų054.9 Ų54.90%028%0.281CS..EExtended strand (participates in β ladder)trans-93.8125.8-179.9-49.2-176.3000108.7Y41 L42 F43 I125 V128 L139 F152 I166 T170Y41-L154 PolarHBondContact O-N 3.29Å; L42-L154 CarbonylContact C-O 3.57Å; L42-L154 WeakPolarHBondContact CA-O 3.36Å; L42-L154 HydrophobicContact CD1-CB 3.98Å; F43-L154 PolarHBondContact N-O 3.2Å; I125-L154 HydrophobicContact CB-CD2 3.94Å; I125-L154 HydrophobicContact CD1-CD2 3.82Å; I125-L154 HydrophobicContact CG1-CD2 4.11Å; V128-L154 HydrophobicContact CB-CB 4.39Å; V128-L154 HydrophobicContact CG1-CB 4.13Å; V128-L154 HydrophobicContact CG2-CB 4.46Å; V128-L154 HydrophobicContact CG2-CD1 4.45Å; V128-L154 HydrophobicContact CG2-CD2 4.25Å; L139-L154 HydrophobicContact CD2-CD2 4.26Å; F152-L154 HydrophobicContact CB-CD2 4.43Å; L154-I166 HydrophobicContact CD1-CG2 3.79Å; L154-T170 HydrophobicContact CD1-CG2 4.05Å
155A97.3Very high93.3Very high0 Ų053.3 Ų53.30%028%0.278CS..EExtended strand (participates in β ladder)trans-112.8138.5175.100000111F43 K51 I125 D126 E127 V128F43-A155 HydrophobicContact CB-CB 4.5Å; F43-A155 CarbonylContact O-C 3.59Å; F43-A155 VanDerWaalsContact O-CA 3.28Å; F43-A155 WeakPolarHBondContact O-CA 3.37Å; K51-A155 HydrophobicContact CB-CB 4.27Å; I125-A155 PolarHBondContact O-N 3.44Å; D126-A155 WeakPolarHBondContact OD1-CB 3.39Å; E127-A155 WeakPolarHBondContact CA-O 3.49Å; E127-A155 PolarHBondContact N-O 3.22Å; V128-A155 PolarHBondContact N-O 3.39Å
156T96.1Very high93.6Very high0 Ų045.8 Ų45.80%024%0.243CC..EExtended strand (participates in β ladder)trans-148146.2178.4-1690000112.9L42 F43 T44 G45 K51 H129 E158 P159 I162L42-T156 HydrophobicContact CD1-CG2 4.05Å; F43-T156 PolarHBondContact O-N 3.3Å; T44-T156 WeakPolarHBondContact CA-O 3.42Å; G45-T156 PolarHBondContact N-O 2.96Å; K51-T156 WeakPolarHBondContact CD-O 3.43Å; K51-T156 WeakPolarHBondContact CE-O 3Å; H129-T156 PolarHBondContact ND1-OG1 3.36Å; T156-E158 PolarHBondContact OG1-N 3.24Å; T156-E158 PolarHBondContact OG1-O 2.92Å; T156-P159 HydrophobicContact CG2-CB 4.3Å; T156-I162 HydrophobicContact CG2-CD1 3.58Å
157T94.6Very high94Very high42 Ų4245.6 Ų45.626%0.25824%0.238SC..SBendtrans-88-20.7163.848.90000113.3G45 R47 K51 E127 H129 P159G45-T157 WeakPolarHBondContact O-CA 3.41Å; R47-T157 HydrophobicContact CB-CG2 4.17Å; K51-T157 VanDerWaalsContact NZ-CG2 3.33Å; E127-T157 WeakPolarHBondContact OE1-CG2 3.38Å; E127-T157 PolarHBondContact OE2-N 2.96Å; E127-T157 PolarHBondContact OE2-OG1 3.1Å; H129-T157 PolarHBondContact CE1-OG1 3.07Å; T157-P159 WeakPolarHBondContact O-CD 3.29Å
158E94Very high94.1Very high58 Ų5845.4 Ų45.427%0.27125%0.249SC..  trans-125.480.3-173.6-65.9-173.412300111.5H129 T156 H160 K161H129-E158 HydrophobicContact CB-CB 4.47Å; H129-E158 IonicContact CD2-OE2 3.12Å; H129-E158 PolarHBondContact CD2-OE2 2.91Å; H129-E158 VanDerWaalsContact CD2-OE2 3.26Å; H129-E158 IonicContact NE2-OE2 2.63Å; H129-E158 PolarHBondContact NE2-OE2 3.46Å; T156-E158 PolarHBondContact OG1-N 3.24Å; T156-E158 PolarHBondContact OG1-O 2.92Å; E158-H160 PolarHBondContact O-N 2.91Å; E158-H160 IonicContact OE1-CE1 3.4Å; E158-K161 HydrophobicContact CB-CD 4.28Å; E158-K161 HydrophobicContact CB-CG 4.39Å; E158-K161 PolarHBondContact O-N 2.96Å; E158-K161 IonicContact OE1-NZ 3.63Å; E158-K161 PolarHBondContact OE1-NZ 2.79Å; E158-K161 VanDerWaalsContact OE2-CD 3.26Å; E158-K161 WeakPolarHBondContact OE2-CD 3.34Å; E158-K161 WeakPolarHBondContact OE2-CE 3.4Å; E158-K161 IonicContact OE2-NZ 2.98Å; E158-K161 PolarHBondContact OE2-NZ 3.13Å
159P92.9Very high94.3Very high30 Ų3040 Ų4020%0.19522%0.22CC..G310 helixtrans-64.6-24.3-176.525.6-35.6000113.6T44 T156 T157 K161 I162T44-P159 WeakPolarHBondContact OG1-CB 3.47Å; T44-P159 WeakPolarHBondContact OG1-CG 3.38Å; T156-P159 HydrophobicContact CG2-CB 4.3Å; T157-P159 WeakPolarHBondContact O-CD 3.29Å; P159-K161 VanDerWaalsContact C-N 3.26Å; P159-K161 PolarHBondContact O-N 3.44Å; P159-I162 PolarHBondContact O-N 3.27Å
160H92.9Very high94.4Very high144 Ų14438.8 Ų38.867%0.66722%0.216SC*.G310 helixtrans-72.1-17.9-178.165.5-86.4000113.6E158E158-H160 PolarHBondContact O-N 2.91Å; E158-H160 IonicContact OE1-CE1 3.4Å
161K92.8Very high94.4Very high107 Ų10742.1 Ų42.147%0.46523%0.231SC..G310 helixtrans-84.3-11.9174.3-71.8-173.6-177.31700112.9H129 E158 P159H129-K161 HydrophobicContact CB-CB 3.93Å; E158-K161 HydrophobicContact CB-CD 4.28Å; E158-K161 HydrophobicContact CB-CG 4.39Å; E158-K161 PolarHBondContact O-N 2.96Å; E158-K161 IonicContact OE1-NZ 3.63Å; E158-K161 PolarHBondContact OE1-NZ 2.79Å; E158-K161 VanDerWaalsContact OE2-CD 3.26Å; E158-K161 WeakPolarHBondContact OE2-CD 3.34Å; E158-K161 WeakPolarHBondContact OE2-CE 3.4Å; E158-K161 IonicContact OE2-NZ 2.98Å; E158-K161 PolarHBondContact OE2-NZ 3.13Å; P159-K161 VanDerWaalsContact C-N 3.26Å; P159-K161 PolarHBondContact O-N 3.44Å
162I93.5Very high94.4Very high9 Ų947.5 Ų47.55%0.04625%0.251CS..SBendtrans-83.2132.1179.9-58.6-178.6000109.4L42 V128 H129 F136 T156 P159 A164 I166 I167L42-I162 HydrophobicContact CD1-CD1 3.69Å; L42-I162 HydrophobicContact CD2-CD1 4.41Å; V128-I162 HydrophobicContact CG1-CD1 3.46Å; V128-I162 VanDerWaalsContact CG1-CD1 3.46Å; V128-I162 HydrophobicContact CG1-CG1 4.2Å; H129-I162 HydrophobicContact CB-CG1 4.29Å; F136-I162 HydrophobicContact CE1-CG2 4.25Å; T156-I162 HydrophobicContact CG2-CD1 3.58Å; P159-I162 PolarHBondContact O-N 3.27Å; I162-A164 PolarHBondContact O-N 3.24Å; I162-I166 HydrophobicContact CG2-CB 3.87Å; I162-I166 HydrophobicContact CG2-CG2 3.92Å; I162-I167 HydrophobicContact CB-CD1 4.3Å; I162-I167 HydrophobicContact CB-CG1 4.27Å; I162-I167 HydrophobicContact CG2-CD1 4.42Å; I162-I167 HydrophobicContact CG2-CG1 3.87Å
163P93.8Very high94.5Very high47 Ų4748.1 Ų48.131%0.30525%0.254SS..  trans-56136.8174.8-25.334.5000112.5F136 T165 I166 I167F136-P163 HydrophobicContact CB-CG 4.42Å; F136-P163 HydrophobicContact CD1-CG 4.28Å; F136-P163 HydrophobicContact CD2-CG 4.31Å; F136-P163 HydrophobicContact CG-CG 4.1Å; P163-T165 PolarHBondContact O-N 3.27Å; P163-T165 VanDerWaalsContact O-N 3.07Å; P163-I166 HydrophobicContact CB-CG1 4.39Å; P163-I166 PolarHBondContact O-N 3.49Å; P163-I167 PolarHBondContact O-N 2.95Å
164A93.5Very high94.4Very high78 Ų7851.9 Ų51.965%0.64527%0.274SS*.Hα-helixtrans-56.9-27.8178.200000113.1I162 I166 I167 S168I162-A164 PolarHBondContact O-N 3.24Å; A164-I166 VanDerWaalsContact C-N 3.32Å; A164-I166 PolarHBondContact O-N 3.27Å; A164-I167 PolarHBondContact O-N 3.23Å; A164-S168 WeakPolarHBondContact O-CB 3.47Å; A164-S168 PolarHBondContact O-N 3.45Å; A164-S168 PolarHBondContact O-OG 3.18Å
165T92.9Very high94.4Very high66 Ų6652.1 Ų52.141%0.40528%0.275SS..Hα-helixtrans-65.4-29.4176.450.40000113.9P163 S168 R169P163-T165 PolarHBondContact O-N 3.27Å; P163-T165 VanDerWaalsContact O-N 3.07Å; T165-S168 PolarHBondContact O-OG 3Å; T165-S168 VanDerWaalsContact O-OG 3.14Å; T165-R169 PolarHBondContact O-NH1 3.32Å
166I93.3Very high94.2Very high0 Ų059.6 Ų59.60%031%0.308CS..Hα-helixtrans-78.2-49.5172.3-62.6-75.4000108.8F136 L140 L143 L154 I162 P163 A164 S168 R169 T170F136-I166 HydrophobicContact CD1-CD1 4.22Å; F136-I166 HydrophobicContact CD1-CG1 3.91Å; F136-I166 HydrophobicContact CE1-CG1 4.41Å; L140-I166 HydrophobicContact CD2-CD1 3.42Å; L140-I166 VanDerWaalsContact CD2-CD1 3.42Å; L140-I166 HydrophobicContact CD2-CG1 3.99Å; L140-I166 HydrophobicContact CG-CD1 3.75Å; L140-I166 HydrophobicContact CG-CG1 4.48Å; L143-I166 HydrophobicContact CD1-CD1 3.57Å; L143-I166 HydrophobicContact CD1-CG2 4.2Å; L154-I166 HydrophobicContact CD1-CG2 3.79Å; I162-I166 HydrophobicContact CG2-CB 3.87Å; I162-I166 HydrophobicContact CG2-CG2 3.92Å; P163-I166 HydrophobicContact CB-CG1 4.39Å; P163-I166 PolarHBondContact O-N 3.49Å; A164-I166 VanDerWaalsContact C-N 3.32Å; A164-I166 PolarHBondContact O-N 3.27Å; I166-S168 PolarHBondContact O-N 2.96Å; I166-R169 PolarHBondContact O-N 3.27Å; I166-T170 HydrophobicContact CG2-CG2 4.24Å; I166-T170 WeakPolarHBondContact O-CG2 3.27Å; I166-T170 PolarHBondContact O-N 3.47Å
167I94Very high94.1Very high44 Ų4466.7 Ų66.723%0.22633%0.334CS..Hα-helixtrans-55-43-177.2-60.6176.4000110.6L42 I162 P163 A164 R169 T170L42-I167 HydrophobicContact CD2-CG1 4.03Å; L42-I167 HydrophobicContact CD2-CG2 4.47Å; I162-I167 HydrophobicContact CB-CD1 4.3Å; I162-I167 HydrophobicContact CB-CG1 4.27Å; I162-I167 HydrophobicContact CG2-CD1 4.42Å; I162-I167 HydrophobicContact CG2-CG1 3.87Å; P163-I167 PolarHBondContact O-N 2.95Å; A164-I167 PolarHBondContact O-N 3.23Å; I167-R169 PolarHBondContact O-N 3.44Å; I167-R169 VanDerWaalsContact O-N 3.15Å; I167-T170 PolarHBondContact O-N 3.34Å; I167-T170 VanDerWaalsContact O-N 3.14Å; I167-T170 PolarHBondContact O-OG1 3.25Å
168S93.4Very high94Very high87 Ų8765.1 Ų65.161%0.60832%0.324SS*.THydrogen-bonded Turntrans-63.5-18-179.667.60000114.8A164 T165 I166A164-S168 WeakPolarHBondContact O-CB 3.47Å; A164-S168 PolarHBondContact O-N 3.45Å; A164-S168 PolarHBondContact O-OG 3.18Å; T165-S168 PolarHBondContact O-OG 3Å; T165-S168 VanDerWaalsContact O-OG 3.14Å; I166-S168 PolarHBondContact O-N 2.96Å
169R93.4Very high93.9Very high77 Ų7767.2 Ų67.229%0.29134%0.337SS..THydrogen-bonded Turntrans-104-1.1-180-68.7174.6173.486.4-7.4113.1H39 E144 T165 I166 I167H39-R169 PolarHBondContact NE2-O 3.24Å; E144-R169 IonicContact OE1-CZ 2.72Å; E144-R169 IonicContact OE1-NE 3.86Å; E144-R169 IonicContact OE1-NH1 3.85Å; E144-R169 IonicContact OE1-NH2 3.04Å; E144-R169 PolarHBondContact OE1-NH2 3.29Å; T165-R169 PolarHBondContact O-NH1 3.32Å; I166-R169 PolarHBondContact O-N 3.27Å; I167-R169 PolarHBondContact O-N 3.44Å; I167-R169 VanDerWaalsContact O-N 3.15Å
170T94.3Very high93.8Very high16 Ų1668.5 Ų68.510%0.09835%0.345CS..SBendtrans-111.8146-17959.50000111.1A40 L42 L154 I166 I167 R172A40-T170 HydrophobicContact CB-CG2 3.95Å; L42-T170 HydrophobicContact CB-CG2 4.27Å; L42-T170 WeakPolarHBondContact CB-OG1 3.34Å; L154-T170 HydrophobicContact CD1-CG2 4.05Å; I166-T170 HydrophobicContact CG2-CG2 4.24Å; I166-T170 WeakPolarHBondContact O-CG2 3.27Å; I166-T170 PolarHBondContact O-N 3.47Å; I167-T170 PolarHBondContact O-N 3.34Å; I167-T170 VanDerWaalsContact O-N 3.14Å; I167-T170 PolarHBondContact O-OG1 3.25Å; T170-R172 PolarHBondContact O-N 3.1Å
171Q95.1Very high93.7Very high74 Ų7467.1 Ų67.135%0.34634%0.339SS..EExtended strand (participates in β ladder)trans-78.9109.9164.4-166.41786.900109.1A40 Y41 L42 F173A40-Q171 PolarHBondContact O-N 2.95Å; Y41-Q171 WeakPolarHBondContact CA-O 3.44Å; Y41-Q171 HydrophobicContact CD1-CB 4.18Å; Y41-Q171 HydrophobicContact CE1-CB 4.39Å; Y41-Q171 VanDerWaalsContact CE1-OE1 3.28Å; L42-Q171 PolarHBondContact N-O 3.13Å; Q171-F173 HydrophobicContact CB-CE2 4.08Å; Q171-F173 HydrophobicContact CG-CD2 4.39Å; Q171-F173 HydrophobicContact CG-CE2 3.55Å; Q171-F173 HydrophobicContact CG-CZ 4.06Å; Q171-F173 WeakPolarHBondContact O-CD2 3.35Å
172R95.4Very high93.7Very high116 Ų11663.7 Ų63.744%0.43833%0.33SS..EExtended strand (participates in β ladder)trans-82.5133-176.5-179179167.9166.80.1112.2L42 T44 T170 D174L42-R172 HydrophobicContact CD2-CG 4.46Å; L42-R172 CarbonylContact O-C 3.6Å; L42-R172 WeakPolarHBondContact O-CA 3.24Å; T44-R172 HydrophobicContact CG2-CG 3.76Å; T170-R172 PolarHBondContact O-N 3.1Å; R172-D174 IonicContact CZ-OD1 3.09Å; R172-D174 VanDerWaalsContact CZ-OD1 3.25Å; R172-D174 IonicContact CZ-OD2 3.4Å; R172-D174 IonicContact NE-OD1 3.77Å; R172-D174 PolarHBondContact NE-OD1 3.32Å; R172-D174 IonicContact NE-OD2 3.61Å; R172-D174 PolarHBondContact NE-OD2 2.99Å; R172-D174 VanDerWaalsContact NE-OD2 3.12Å; R172-D174 IonicContact NH2-OD1 2.65Å; R172-D174 PolarHBondContact NH2-OD1 3.37Å; R172-D174 IonicContact NH2-OD2 3.71Å
173F96.8Very high93.7Very high16 Ų1663.2 Ų63.27%0.0733%0.328CS..EExtended strand (participates in β ladder)trans-126.1116.9172.8-69.3-92.1000110.3I24 T27 L28 Y41 L42 F43 T44 Q171 F175I24-F173 HydrophobicContact CB-CD1 4.38Å; I24-F173 HydrophobicContact CG1-CD1 4.28Å; I24-F173 HydrophobicContact CG2-CB 4.33Å; I24-F173 HydrophobicContact CG2-CD1 3.76Å; I24-F173 HydrophobicContact CG2-CE1 4.47Å; I24-F173 HydrophobicContact CG2-CG 4.32Å; T27-F173 HydrophobicContact CG2-CE1 3.67Å; T27-F173 HydrophobicContact CG2-CZ 3.96Å; L28-F173 HydrophobicContact CD2-CE1 4.2Å; L28-F173 HydrophobicContact CD2-CE2 4.12Å; L28-F173 HydrophobicContact CD2-CZ 3.83Å; L28-F173 HydrophobicContact CG-CE1 4.38Å; L28-F173 HydrophobicContact CG-CZ 4.48Å; Y41-F173 HydrophobicContact CD1-CD2 4.11Å; Y41-F173 AromaticContact CD1-CE2 3.54Å; Y41-F173 HydrophobicContact CD1-CE2 3.54Å; Y41-F173 HydrophobicContact CD1-CZ 4.47Å; Y41-F173 AromaticContact CE1-CE2 3.85Å; Y41-F173 HydrophobicContact CE1-CE2 3.85Å; Y41-F173 HydrophobicContact CE1-CZ 4.41Å; L42-F173 PolarHBondContact O-N 3.32Å; F43-F173 HydrophobicContact CD1-CB 3.85Å; F43-F173 HydrophobicContact CD1-CD2 4.03Å; F43-F173 HydrophobicContact CD1-CG 4.24Å; F43-F173 HydrophobicContact CE1-CB 4.19Å; F43-F173 AromaticContact CE1-CD2 3.71Å; F43-F173 HydrophobicContact CE1-CD2 3.71Å; F43-F173 HydrophobicContact CE1-CE2 4.42Å; F43-F173 HydrophobicContact CE1-CG 4.09Å; T44-F173 WeakPolarHBondContact CG2-O 3.33Å; T44-F173 PolarHBondContact N-O 3.49Å; Q171-F173 HydrophobicContact CB-CE2 4.08Å; Q171-F173 HydrophobicContact CG-CD2 4.39Å; Q171-F173 HydrophobicContact CG-CE2 3.55Å; Q171-F173 HydrophobicContact CG-CZ 4.06Å; Q171-F173 WeakPolarHBondContact O-CD2 3.35Å; F173-F175 HydrophobicContact CB-CE2 4.22Å
174D96.1Very high93.7Very high79 Ų7961.7 Ų61.742%0.42232%0.317SS..EExtended strand (participates in β ladder)trans-94.699.5-179.2-69.1-58.9000111.5T44 R172 K176T44-D174 WeakPolarHBondContact CG2-OD1 3.44Å; T44-D174 CarbonylContact O-C 3.55Å; T44-D174 WeakPolarHBondContact O-CA 3.27Å; R172-D174 IonicContact CZ-OD1 3.09Å; R172-D174 VanDerWaalsContact CZ-OD1 3.25Å; R172-D174 IonicContact CZ-OD2 3.4Å; R172-D174 IonicContact NE-OD1 3.77Å; R172-D174 PolarHBondContact NE-OD1 3.32Å; R172-D174 IonicContact NE-OD2 3.61Å; R172-D174 PolarHBondContact NE-OD2 2.99Å; R172-D174 VanDerWaalsContact NE-OD2 3.12Å; R172-D174 IonicContact NH2-OD1 2.65Å; R172-D174 PolarHBondContact NH2-OD1 3.37Å; R172-D174 IonicContact NH2-OD2 3.71Å; D174-K176 PolarHBondContact O-N 3.17Å
175F96.1Very high93.7Very high5 Ų560.1 Ų60.12%0.02231%0.308CS..PPolyproline II helixtrans-69.6124.3174.1-72.6-108.3000110.2Q21 I24 F43 T44 P46 T49 K51 A54 F173Q21-F175 HydrophobicContact CG-CD1 3.91Å; Q21-F175 HydrophobicContact CG-CE1 4.33Å; I24-F175 HydrophobicContact CD1-CB 4.44Å; I24-F175 HydrophobicContact CD1-CD1 4.2Å; I24-F175 HydrophobicContact CD1-CD2 3.89Å; I24-F175 HydrophobicContact CD1-CE1 4.41Å; I24-F175 HydrophobicContact CD1-CE2 4.1Å; I24-F175 HydrophobicContact CD1-CG 3.93Å; I24-F175 HydrophobicContact CD1-CZ 4.35Å; I24-F175 HydrophobicContact CG2-CE2 4.3Å; I24-F175 HydrophobicContact CG2-CZ 4Å; F43-F175 HydrophobicContact CB-CD2 4.22Å; F43-F175 HydrophobicContact CB-CE2 3.65Å; F43-F175 HydrophobicContact CB-CZ 4.48Å; F43-F175 HydrophobicContact CD1-CE2 4.02Å; F43-F175 HydrophobicContact CD2-CE2 4.05Å; F43-F175 HydrophobicContact CD2-CZ 4.13Å; F43-F175 AromaticContact CG-CE2 3.64Å; F43-F175 HydrophobicContact CG-CE2 3.64Å; F43-F175 HydrophobicContact CG-CZ 4.19Å; T44-F175 PolarHBondContact O-N 3.45Å; P46-F175 WeakPolarHBondContact CD-O 3.32Å; T49-F175 WeakPolarHBondContact OG1-CB 3.37Å; K51-F175 HydrophobicContact CG-CB 4.23Å; K51-F175 HydrophobicContact CG-CD1 4.35Å; K51-F175 HydrophobicContact CG-CD2 3.95Å; K51-F175 HydrophobicContact CG-CE2 4.45Å; K51-F175 HydrophobicContact CG-CG 3.91Å; A54-F175 HydrophobicContact CB-CE1 3.79Å; A54-F175 HydrophobicContact CB-CZ 3.57Å; F173-F175 HydrophobicContact CB-CE2 4.22Å
176K93.4Very high93.8Very high157 Ų15758.8 Ų58.868%0.68330%0.295SS*.PPolyproline II helixtrans-87.9160.4-178.6-63.3-179.4-177.6177.50111Q21 T49 D174Q21-K176 PolarHBondContact NE2-O 2.94Å; Q21-K176 VanDerWaalsContact OE1-N 3.16Å; T49-K176 VanDerWaalsContact CG2-O 3.26Å; T49-K176 WeakPolarHBondContact CG2-O 3.33Å; D174-K176 PolarHBondContact O-N 3.17Å
177R93.9Very high93.8Very high148 Ų14858.8 Ų58.856%0.55830%0.295SS*.PPolyproline II helixtrans-59.8137.7166.2-69.3-171.6-175.9-1107.7108.7P46 E211P46-R177 HydrophobicContact CB-CG 4.37Å; P46-R177 HydrophobicContact CG-CG 3.82Å; R177-E211 WeakPolarHBondContact CD-O 3.46Å; R177-E211 PolarHBondContact NH1-O 3.42Å; R177-E211 IonicContact NH1-OE2 2.74Å
178I93.5Very high93.9Very high9 Ų957.2 Ų57.25%0.04629%0.289CS..PPolyproline II helixtrans-76.8136.7-179.4-56.8169.8000108.2V19 A182 I183 G212 M214V19-I178 HydrophobicContact CB-CG2 4.35Å; V19-I178 HydrophobicContact CG1-CG2 3.69Å; I178-A182 HydrophobicContact CG2-CB 3.91Å; I178-I183 HydrophobicContact CB-CD1 4.19Å; I178-I183 HydrophobicContact CB-CG1 3.99Å; I178-I183 HydrophobicContact CG2-CD1 4.37Å; I178-I183 HydrophobicContact CG2-CG1 3.63Å; I178-G212 PolarHBondContact N-O 3.42Å; I178-G212 WeakPolarHBondContact O-CA 3.46Å; I178-M214 HydrophobicContact CD1-CB 3.65Å
179D91.1Very high93.9Very high102 Ų10257.8 Ų57.855%0.54528%0.279SS..PPolyproline II helixtrans-62.8145.2177.5-173.174.5000111.3Q181 A182 I183D179-Q181 VanDerWaalsContact C-N 3.26Å; D179-Q181 PolarHBondContact O-N 2.93Å; D179-Q181 WeakPolarHBondContact OD2-CB 3.46Å; D179-Q181 PolarHBondContact OD2-N 2.85Å; D179-A182 HydrophobicContact CB-CB 4.31Å; D179-A182 WeakPolarHBondContact O-CB 3.49Å; D179-A182 PolarHBondContact O-N 3.43Å; D179-I183 PolarHBondContact O-N 3.5Å
180V90.3Very high93.9Very high58 Ų5854.2 Ų54.235%0.35227%0.265SS..Hα-helixtrans-57.2-41.8-177.5177.70000111A182 I183 I184 A207V180-A182 VanDerWaalsContact C-N 3.31Å; V180-A182 PolarHBondContact O-N 2.69Å; V180-I183 PolarHBondContact O-N 3.49Å; V180-I184 HydrophobicContact CG1-CD1 3.93Å; V180-I184 HydrophobicContact CG1-CG1 4.48Å; V180-I184 VanDerWaalsContact O-CG1 3.31Å; V180-I184 WeakPolarHBondContact O-CG1 3.33Å; V180-I184 PolarHBondContact O-N 2.9Å; V180-A207 HydrophobicContact CG1-CB 3.84Å
181Q91.5Very high93.8Very high115 Ų11553.4 Ų53.454%0.53726%0.26SS..Hα-helixtrans-66.4-36179.4-64.2-60.2-2800111.9D179 I184 G185D179-Q181 VanDerWaalsContact C-N 3.26Å; D179-Q181 PolarHBondContact O-N 2.93Å; D179-Q181 WeakPolarHBondContact OD2-CB 3.46Å; D179-Q181 PolarHBondContact OD2-N 2.85Å; Q181-I184 PolarHBondContact O-N 3.3Å; Q181-G185 PolarHBondContact O-N 3.33Å
182A92.6Very high93.7Very high34 Ų3455 Ų5528%0.28127%0.267SS..Hα-helixtrans-68.7-36.4177.100000111.9V19 I178 D179 V180 R186V19-A182 HydrophobicContact CG1-CB 3.61Å; I178-A182 HydrophobicContact CG2-CB 3.91Å; D179-A182 HydrophobicContact CB-CB 4.31Å; D179-A182 WeakPolarHBondContact O-CB 3.49Å; D179-A182 PolarHBondContact O-N 3.43Å; V180-A182 VanDerWaalsContact C-N 3.31Å; V180-A182 PolarHBondContact O-N 2.69Å; A182-R186 WeakPolarHBondContact O-CB 3.3Å; A182-R186 PolarHBondContact O-N 3.28Å; A182-R186 VanDerWaalsContact O-N 3.11Å
183I93.4Very high93.6Very high0 Ų054.8 Ų54.80%027%0.272CS..Hα-helixtrans-65-48.1172.3-63.1177000110.5I178 D179 V180 G185 R186 M187 A207 M214 A217I178-I183 HydrophobicContact CB-CD1 4.19Å; I178-I183 HydrophobicContact CB-CG1 3.99Å; I178-I183 HydrophobicContact CG2-CD1 4.37Å; I178-I183 HydrophobicContact CG2-CG1 3.63Å; D179-I183 PolarHBondContact O-N 3.5Å; V180-I183 PolarHBondContact O-N 3.49Å; I183-G185 PolarHBondContact O-N 3.4Å; I183-R186 PolarHBondContact O-N 3.47Å; I183-M187 HydrophobicContact CG2-CE 3.86Å; I183-M187 HydrophobicContact CG2-CG 4.35Å; I183-M187 HydrophobicContact CG2-SD 4.29Å; I183-M187 WeakPolarHBondContact O-CG 3.39Å; I183-M187 PolarHBondContact O-N 2.87Å; I183-A207 HydrophobicContact CB-CB 4.04Å; I183-A207 HydrophobicContact CG2-CB 3.78Å; I183-M214 HydrophobicContact CG1-SD 4.35Å; I183-M214 HydrophobicContact CG2-CE 4.45Å; I183-M214 HydrophobicContact CG2-SD 4.2Å; I183-A217 HydrophobicContact CG2-CB 3.55Å
184I93.8Very high93.1Very high15 Ų1556.4 Ų56.48%0.07729%0.285CS..Hα-helixtrans-56.2-52.1178.2-67.4166.2000110.1V180 Q181 R186 M187 A188 L203 A207V180-I184 HydrophobicContact CG1-CD1 3.93Å; V180-I184 HydrophobicContact CG1-CG1 4.48Å; V180-I184 VanDerWaalsContact O-CG1 3.31Å; V180-I184 WeakPolarHBondContact O-CG1 3.33Å; V180-I184 PolarHBondContact O-N 2.9Å; Q181-I184 PolarHBondContact O-N 3.3Å; I184-R186 VanDerWaalsContact C-N 3.26Å; I184-R186 PolarHBondContact O-N 2.99Å; I184-M187 PolarHBondContact O-N 2.78Å; I184-M187 VanDerWaalsContact O-N 3.12Å; I184-A188 WeakPolarHBondContact O-CB 3.46Å; I184-A188 PolarHBondContact O-N 3.18Å; I184-L203 HydrophobicContact CG1-CB 4.47Å; I184-L203 HydrophobicContact CG2-CB 4.15Å; I184-L203 HydrophobicContact CG2-CD1 4.35Å; I184-A207 HydrophobicContact CD1-CB 4.39Å; I184-A207 HydrophobicContact CG1-CB 3.68Å
185G93.7Very high92.8Very high44 Ų4459.6 Ų59.645%0.45430%0.302SS..Hα-helixtrans-58.6-37.4179.700000112.9Q181 I183 Y189Q181-G185 PolarHBondContact O-N 3.33Å; I183-G185 PolarHBondContact O-N 3.4Å; G185-Y189 WeakPolarHBondContact O-CB 3.35Å; G185-Y189 PolarHBondContact O-N 3.41Å; G185-Y189 VanDerWaalsContact O-N 3.08Å
186R93.9Very high92.4Very high38 Ų3862.5 Ų62.514%0.14332%0.316CS..Hα-helixtrans-70.4-40.3175.9-175.859.9175.8-171.1-1.7112.7V19 A182 I183 I184 I190 M214V19-R186 HydrophobicContact CG2-CB 4.03Å; V19-R186 HydrophobicContact CG2-CG 3.88Å; A182-R186 WeakPolarHBondContact O-CB 3.3Å; A182-R186 PolarHBondContact O-N 3.28Å; A182-R186 VanDerWaalsContact O-N 3.11Å; I183-R186 PolarHBondContact O-N 3.47Å; I184-R186 VanDerWaalsContact C-N 3.26Å; I184-R186 PolarHBondContact O-N 2.99Å; R186-I190 HydrophobicContact CG-CD1 4.14Å; R186-I190 WeakPolarHBondContact O-CG1 3.44Å; R186-I190 PolarHBondContact O-N 3.46Å; R186-I190 VanDerWaalsContact O-N 3.1Å; R186-M214 HydrophobicContact CB-CE 3.83Å; R186-M214 HydrophobicContact CB-SD 4.03Å; R186-M214 HydrophobicContact CG-CE 3.52Å; R186-M214 HydrophobicContact CG-SD 3.92Å
187M94.5Very high92.4Very high0 Ų058.3 Ų58.30%031%0.305CS..Hα-helixtrans-66-44176.6-68.6-167.2-65.700111.4I183 I184 Y189 I190 L191 L203 I206 A207 M214 A217 L218 L221I183-M187 HydrophobicContact CG2-CE 3.86Å; I183-M187 HydrophobicContact CG2-CG 4.35Å; I183-M187 HydrophobicContact CG2-SD 4.29Å; I183-M187 WeakPolarHBondContact O-CG 3.39Å; I183-M187 PolarHBondContact O-N 2.87Å; I184-M187 PolarHBondContact O-N 2.78Å; I184-M187 VanDerWaalsContact O-N 3.12Å; M187-Y189 VanDerWaalsContact C-N 3.34Å; M187-Y189 PolarHBondContact O-N 3.18Å; M187-I190 PolarHBondContact O-N 2.95Å; M187-I190 VanDerWaalsContact O-N 3.13Å; M187-L191 WeakPolarHBondContact O-CG 3.33Å; M187-L191 PolarHBondContact O-N 2.91Å; M187-L203 HydrophobicContact CB-CD1 4.38Å; M187-L203 HydrophobicContact CB-CD2 4.16Å; M187-L203 HydrophobicContact CE-CB 4Å; M187-L203 HydrophobicContact CE-CD2 4.28Å; M187-L203 VanDerWaalsContact CE-O 3.23Å; M187-L203 WeakPolarHBondContact CE-O 3.09Å; M187-I206 HydrophobicContact CE-CB 4.04Å; M187-I206 HydrophobicContact CE-CG2 3.91Å; M187-I206 HydrophobicContact SD-CB 4.3Å; M187-I206 HydrophobicContact SD-CG2 3.6Å; M187-A207 HydrophobicContact CE-CB 3.94Å; M187-M214 HydrophobicContact CG-CE 3.94Å; M187-A217 HydrophobicContact SD-CB 4.17Å; M187-L218 HydrophobicContact CG-CD2 4.49Å; M187-L221 HydrophobicContact CB-CD2 4.05Å; M187-L221 HydrophobicContact CG-CD2 4.01Å; M187-L221 HydrophobicContact SD-CB 4.26Å; M187-L221 HydrophobicContact SD-CD2 4.17Å
188A94.9Very high92.4Very high12 Ų1254.3 Ų54.310%0.09929%0.29CS..Hα-helixtrans-54.7-49.9174.300000111.2I184 I190 L191 E192 Y198 L203I184-A188 WeakPolarHBondContact O-CB 3.46Å; I184-A188 PolarHBondContact O-N 3.18Å; A188-I190 VanDerWaalsContact C-N 3.32Å; A188-I190 PolarHBondContact O-N 2.88Å; A188-L191 PolarHBondContact O-N 2.86Å; A188-E192 WeakPolarHBondContact O-CB 3.45Å; A188-E192 VanDerWaalsContact O-CG 3.27Å; A188-E192 WeakPolarHBondContact O-CG 3.45Å; A188-E192 PolarHBondContact O-N 3.05Å; A188-Y198 HydrophobicContact CB-CE2 4.46Å; A188-Y198 WeakPolarHBondContact CB-OH 3.4Å; A188-L203 HydrophobicContact CB-CD1 4.03Å
189Y94.2Very high92.3Very high99 Ų9956.8 Ų56.839%0.38830%0.301SS..Hα-helixtrans-55.5-45175.2174.7-101.1000112.6W10 G185 M187 Q193W10-Y189 HydrophobicContact CH2-CE1 4.42Å; W10-Y189 HydrophobicContact CZ3-CD1 4.45Å; W10-Y189 AromaticContact CZ3-CE1 3.83Å; W10-Y189 HydrophobicContact CZ3-CE1 3.83Å; G185-Y189 WeakPolarHBondContact O-CB 3.35Å; G185-Y189 PolarHBondContact O-N 3.41Å; G185-Y189 VanDerWaalsContact O-N 3.08Å; M187-Y189 VanDerWaalsContact C-N 3.34Å; M187-Y189 PolarHBondContact O-N 3.18Å; Y189-Q193 HydrophobicContact CD2-CG 4.46Å; Y189-Q193 HydrophobicContact CE1-CG 4.16Å; Y189-Q193 HydrophobicContact CE2-CG 4.07Å; Y189-Q193 VanDerWaalsContact O-CG 3.25Å; Y189-Q193 WeakPolarHBondContact O-CG 3.21Å; Y189-Q193 PolarHBondContact O-N 3.12Å
190I92.8Very high92.3Very high1 Ų158.8 Ų58.81%0.00531%0.307CS..Hα-helixtrans-64.5-43.4179.7-72.5167.5000111.4L6 W10 R186 M187 A188 Q193 S194 L218L6-I190 HydrophobicContact CD2-CG2 4.31Å; W10-I190 HydrophobicContact CB-CD1 3.88Å; W10-I190 HydrophobicContact CB-CG1 4.41Å; W10-I190 HydrophobicContact CD2-CB 4.41Å; W10-I190 HydrophobicContact CD2-CD1 4.12Å; W10-I190 HydrophobicContact CD2-CG1 3.65Å; W10-I190 HydrophobicContact CD2-CG2 4.14Å; W10-I190 HydrophobicContact CE3-CD1 4.47Å; W10-I190 HydrophobicContact CE3-CG1 3.85Å; W10-I190 HydrophobicContact CG-CD1 3.85Å; W10-I190 HydrophobicContact CG-CG1 3.9Å; W10-I190 HydrophobicContact CG-CG2 4.15Å; W10-I190 HydrophobicContact CZ2-CG1 4.46Å; W10-I190 HydrophobicContact CZ2-CG2 4.23Å; W10-I190 HydrophobicContact CZ3-CG1 4.36Å; R186-I190 HydrophobicContact CG-CD1 4.14Å; R186-I190 WeakPolarHBondContact O-CG1 3.44Å; R186-I190 PolarHBondContact O-N 3.46Å; R186-I190 VanDerWaalsContact O-N 3.1Å; M187-I190 PolarHBondContact O-N 2.95Å; M187-I190 VanDerWaalsContact O-N 3.13Å; A188-I190 VanDerWaalsContact C-N 3.32Å; A188-I190 PolarHBondContact O-N 2.88Å; I190-Q193 PolarHBondContact O-N 3.12Å; I190-S194 PolarHBondContact O-N 2.81Å; I190-S194 PolarHBondContact O-OG 3.46Å; I190-L218 HydrophobicContact CD1-CD1 4.26Å; I190-L218 HydrophobicContact CD1-CD2 3.46Å; I190-L218 VanDerWaalsContact CD1-CD2 3.46Å
191L93.1Very high92.1Very high0 Ų061.1 Ų61.10%031%0.314CS..Hα-helixtrans-66.1-42.4-179.6-70.3169.6000111.8M187 A188 Q193 S194 N195 Q196 Y198 L203 L221 I225 I232M187-L191 WeakPolarHBondContact O-CG 3.33Å; M187-L191 PolarHBondContact O-N 2.91Å; A188-L191 PolarHBondContact O-N 2.86Å; L191-Q193 PolarHBondContact O-N 3.11Å; L191-S194 WeakPolarHBondContact CA-OG 3.17Å; L191-S194 CarbonylContact O-C 3.54Å; L191-S194 PolarHBondContact O-N 3.05Å; L191-S194 VanDerWaalsContact O-N 3.09Å; L191-S194 PolarHBondContact O-OG 2.9Å; L191-N195 PolarHBondContact O-N 3.4Å; L191-Q196 HydrophobicContact CD2-CB 3.86Å; L191-Q196 PolarHBondContact O-N 3.47Å; L191-Y198 HydrophobicContact CB-CD1 3.68Å; L191-Y198 HydrophobicContact CB-CE1 3.92Å; L191-Y198 HydrophobicContact CD1-CD1 3.64Å; L191-Y198 HydrophobicContact CD1-CD2 4.38Å; L191-Y198 HydrophobicContact CD1-CE1 4.29Å; L191-Y198 HydrophobicContact CD1-CG 3.7Å; L191-Y198 HydrophobicContact CG-CD1 4.3Å; L191-L203 HydrophobicContact CD1-CD1 4.31Å; L191-L203 HydrophobicContact CD1-CD2 3.61Å; L191-L221 HydrophobicContact CD1-CD1 4.08Å; L191-L221 HydrophobicContact CD1-CD2 4.49Å; L191-L221 HydrophobicContact CD2-CD1 4.22Å; L191-L221 HydrophobicContact CD2-CD2 4.29Å; L191-L221 HydrophobicContact CG-CD1 4.48Å; L191-L221 HydrophobicContact CG-CD2 4.25Å; L191-I225 HydrophobicContact CD2-CD1 3.94Å; L191-I225 HydrophobicContact CD2-CG1 4.32Å; L191-I232 HydrophobicContact CD1-CD1 4.02Å; L191-I232 HydrophobicContact CD2-CD1 3.53Å; L191-I232 HydrophobicContact CG-CD1 4.45Å
192E93.5Very high92Very high106 Ų10655.6 Ų55.650%0.49529%0.289SS..Hα-helixtrans-59.5-44.6173.9-73.6166.9-164.800111.7A188 S194 N195 Y198A188-E192 WeakPolarHBondContact O-CB 3.45Å; A188-E192 VanDerWaalsContact O-CG 3.27Å; A188-E192 WeakPolarHBondContact O-CG 3.45Å; A188-E192 PolarHBondContact O-N 3.05Å; E192-S194 PolarHBondContact O-N 3.4Å; E192-N195 PolarHBondContact O-N 3.13Å; E192-Y198 HydrophobicContact CG-CE1 4.32Å; E192-Y198 PolarHBondContact OE1-OH 3.03Å
193Q91.7Very high92Very high113 Ų11354 Ų5453%0.52828%0.275SS..Hα-helixtrans-65.6-27.6175.8-67.2-60-52.500112.9W10 Y189 I190 L191W10-Q193 HydrophobicContact CH2-CB 3.52Å; W10-Q193 HydrophobicContact CH2-CG 3.79Å; W10-Q193 HydrophobicContact CZ2-CB 3.83Å; Y189-Q193 HydrophobicContact CD2-CG 4.46Å; Y189-Q193 HydrophobicContact CE1-CG 4.16Å; Y189-Q193 HydrophobicContact CE2-CG 4.07Å; Y189-Q193 VanDerWaalsContact O-CG 3.25Å; Y189-Q193 WeakPolarHBondContact O-CG 3.21Å; Y189-Q193 PolarHBondContact O-N 3.12Å; I190-Q193 PolarHBondContact O-N 3.12Å; L191-Q193 PolarHBondContact O-N 3.11Å
194S87.2Confident91.7Very high49 Ų4955 Ų5534%0.34328%0.282SS..THydrogen-bonded Turntrans-900.2176.268.20000114.6I190 L191 E192 Q196I190-S194 PolarHBondContact O-N 2.81Å; I190-S194 PolarHBondContact O-OG 3.46Å; L191-S194 WeakPolarHBondContact CA-OG 3.17Å; L191-S194 CarbonylContact O-C 3.54Å; L191-S194 PolarHBondContact O-N 3.05Å; L191-S194 VanDerWaalsContact O-N 3.09Å; L191-S194 PolarHBondContact O-OG 2.9Å; E192-S194 PolarHBondContact O-N 3.4Å; S194-Q196 PolarHBondContact O-N 3.24Å; S194-Q196 WeakPolarHBondContact OG-CG 3.44Å
195N89.1Confident91.4Very high147 Ų14755.7 Ų55.779%0.78629%0.287SS*.THydrogen-bonded Turntrans52.337.2-172.8-69.3-38.4000114L191 E192L191-N195 PolarHBondContact O-N 3.4Å; E192-N195 PolarHBondContact O-N 3.13Å
196Q89.1Confident91.3Very high66 Ų6653.6 Ų53.631%0.30827%0.265SS..  trans-97.5119.7177.3-73.7-65.6-23.500110.1L191 S194L191-Q196 HydrophobicContact CD2-CB 3.86Å; L191-Q196 PolarHBondContact O-N 3.47Å; S194-Q196 PolarHBondContact O-N 3.24Å; S194-Q196 WeakPolarHBondContact OG-CG 3.44Å
197P93.3Very high91.2Very high69 Ų6951.8 Ų51.845%0.44826%0.258SS..  trans-73.2143.5177.130.1-31.9000110.8E230 K231 I232P197-E230 VanDerWaalsContact CD-O 3.24Å; P197-E230 WeakPolarHBondContact CD-O 3.47Å; P197-E230 WeakPolarHBondContact CG-O 3.29Å; P197-K231 HydrophobicContact CB-CB 4.38Å; P197-K231 HydrophobicContact CB-CG 4.06Å; P197-K231 HydrophobicContact CG-CB 4.02Å; P197-K231 HydrophobicContact CG-CG 4.25Å; P197-K231 WeakPolarHBondContact O-CA 3.18Å; P197-K231 WeakPolarHBondContact O-CG 3.35Å; P197-I232 PolarHBondContact O-N 2.89Å
198Y93.6Very high90.7Very high64 Ų6457.1 Ų57.125%0.25128%0.279SS..BIsolated β-bridgetrans-146.1162.4-174.464-91.2000112.5A188 L191 E192 L203 I232A188-Y198 HydrophobicContact CB-CE2 4.46Å; A188-Y198 WeakPolarHBondContact CB-OH 3.4Å; L191-Y198 HydrophobicContact CB-CD1 3.68Å; L191-Y198 HydrophobicContact CB-CE1 3.92Å; L191-Y198 HydrophobicContact CD1-CD1 3.64Å; L191-Y198 HydrophobicContact CD1-CD2 4.38Å; L191-Y198 HydrophobicContact CD1-CE1 4.29Å; L191-Y198 HydrophobicContact CD1-CG 3.7Å; L191-Y198 HydrophobicContact CG-CD1 4.3Å; E192-Y198 HydrophobicContact CG-CE1 4.32Å; E192-Y198 PolarHBondContact OE1-OH 3.03Å; Y198-L203 HydrophobicContact CD2-CD1 3.59Å; Y198-L203 HydrophobicContact CD2-CD2 4.49Å; Y198-L203 HydrophobicContact CD2-CG 3.91Å; Y198-L203 HydrophobicContact CE2-CD1 3.49Å; Y198-L203 VanDerWaalsContact CE2-CD1 3.49Å; Y198-L203 HydrophobicContact CE2-CG 4.29Å; Y198-L203 HydrophobicContact CG-CD1 4.42Å; Y198-I232 CarbonylContact C-O 3.55Å
199E91.9Very high90.3Very high60 Ų6057.3 Ų57.328%0.2828%0.281SS..  trans-99.3133.1168.1-64.3-177.9170.600110.6Q201 A202 L203 K231 I232 T233 L234E199-Q201 PolarHBondContact O-N 3.44Å; E199-A202 HydrophobicContact CB-CB 4.26Å; E199-A202 VanDerWaalsContact O-CB 3.28Å; E199-A202 WeakPolarHBondContact O-CB 3.49Å; E199-A202 PolarHBondContact O-N 2.64Å; E199-L203 PolarHBondContact O-N 3.01Å; E199-K231 VanDerWaalsContact CG-NZ 3.25Å; E199-K231 IonicContact OE1-NZ 3.16Å; E199-K231 PolarHBondContact OE1-NZ 3.17Å; E199-I232 PolarHBondContact N-O 3.43Å; E199-T233 WeakPolarHBondContact OE2-CA 3.13Å; E199-L234 PolarHBondContact OE2-N 2.98Å
200E89.4Confident90.1Very high145 Ų14553 Ų5368%0.67827%0.265SS*.Hα-helixtrans-60.7-33.1-178.5-169.8179.2179.200112.4A202 L203 S204E200-A202 VanDerWaalsContact C-N 3.34Å; E200-A202 PolarHBondContact O-N 3.45Å; E200-L203 PolarHBondContact O-N 2.95Å; E200-S204 PolarHBondContact O-N 3.2Å; E200-S204 PolarHBondContact O-OG 3.39Å
201Q86.2Confident89.8Confident106 Ų10657.9 Ų57.950%0.49529%0.288SS..Hα-helixtrans-66.3-35.7176.2-64.7-178.6-1.500112E199 L203 S204 V205 L234E199-Q201 PolarHBondContact O-N 3.44Å; Q201-L203 VanDerWaalsContact C-N 3.34Å; Q201-L203 PolarHBondContact O-N 3.47Å; Q201-S204 WeakPolarHBondContact O-CB 3.31Å; Q201-S204 PolarHBondContact O-N 3.34Å; Q201-V205 PolarHBondContact O-N 3.13Å; Q201-V205 VanDerWaalsContact O-N 3.12Å; Q201-L234 HydrophobicContact CB-CD1 4.12Å
202A90Very high89.6Confident0 Ų058.1 Ų58.10%029%0.291CS..Hα-helixtrans-61-43.8176.200000111.1E199 E200 S204 V205 I206 I232 T233 A237E199-A202 HydrophobicContact CB-CB 4.26Å; E199-A202 VanDerWaalsContact O-CB 3.28Å; E199-A202 WeakPolarHBondContact O-CB 3.49Å; E199-A202 PolarHBondContact O-N 2.64Å; E200-A202 VanDerWaalsContact C-N 3.34Å; E200-A202 PolarHBondContact O-N 3.45Å; A202-S204 VanDerWaalsContact C-N 3.29Å; A202-S204 PolarHBondContact O-N 3.06Å; A202-V205 PolarHBondContact O-N 3.26Å; A202-I206 WeakPolarHBondContact O-CG1 3.48Å; A202-I206 PolarHBondContact O-N 3.19Å; A202-I232 HydrophobicContact CB-CG2 4.12Å; A202-T233 WeakPolarHBondContact CB-O 3.49Å; A202-A237 HydrophobicContact CB-CB 3.87Å
203L92.2Very high89.5Confident1 Ų153.2 Ų53.21%0.00527%0.268CS..Hα-helixtrans-63.5-36.4176.7-58.4-170.2000112.4I184 M187 A188 L191 Y198 E199 E200 Q201 V205 I206 A207 L221I184-L203 HydrophobicContact CG1-CB 4.47Å; I184-L203 HydrophobicContact CG2-CB 4.15Å; I184-L203 HydrophobicContact CG2-CD1 4.35Å; M187-L203 HydrophobicContact CB-CD1 4.38Å; M187-L203 HydrophobicContact CB-CD2 4.16Å; M187-L203 HydrophobicContact CE-CB 4Å; M187-L203 HydrophobicContact CE-CD2 4.28Å; M187-L203 VanDerWaalsContact CE-O 3.23Å; M187-L203 WeakPolarHBondContact CE-O 3.09Å; A188-L203 HydrophobicContact CB-CD1 4.03Å; L191-L203 HydrophobicContact CD1-CD1 4.31Å; L191-L203 HydrophobicContact CD1-CD2 3.61Å; Y198-L203 HydrophobicContact CD2-CD1 3.59Å; Y198-L203 HydrophobicContact CD2-CD2 4.49Å; Y198-L203 HydrophobicContact CD2-CG 3.91Å; Y198-L203 HydrophobicContact CE2-CD1 3.49Å; Y198-L203 VanDerWaalsContact CE2-CD1 3.49Å; Y198-L203 HydrophobicContact CE2-CG 4.29Å; Y198-L203 HydrophobicContact CG-CD1 4.42Å; E199-L203 PolarHBondContact O-N 3.01Å; E200-L203 PolarHBondContact O-N 2.95Å; Q201-L203 VanDerWaalsContact C-N 3.34Å; Q201-L203 PolarHBondContact O-N 3.47Å; L203-V205 VanDerWaalsContact C-N 3.35Å; L203-I206 PolarHBondContact O-N 3.44Å; L203-A207 VanDerWaalsContact O-CB 3.25Å; L203-A207 WeakPolarHBondContact O-CB 3.36Å; L203-A207 PolarHBondContact O-N 3.41Å; L203-L221 HydrophobicContact CD2-CD1 4.18Å
204S88.4Confident89.7Confident21 Ų2148.9 Ų48.915%0.14725%0.248CC..Hα-helixtrans-64.6-39.7177.7-63.20000112.2E200 Q201 A202 R208E200-S204 PolarHBondContact O-N 3.2Å; E200-S204 PolarHBondContact O-OG 3.39Å; Q201-S204 WeakPolarHBondContact O-CB 3.31Å; Q201-S204 PolarHBondContact O-N 3.34Å; A202-S204 VanDerWaalsContact C-N 3.29Å; A202-S204 PolarHBondContact O-N 3.06Å; S204-R208 WeakPolarHBondContact O-CB 3.35Å; S204-R208 PolarHBondContact O-N 3.13Å; S204-R208 VanDerWaalsContact O-N 3.14Å
205V86.4Confident90Very high28 Ų2850.5 Ų50.517%0.1725%0.247CC..Hα-helixtrans-64.1-49.5174.4172.60000110.5Q201 A202 L203 A207 R208 A209 L234 A237 L238 T241Q201-V205 PolarHBondContact O-N 3.13Å; Q201-V205 VanDerWaalsContact O-N 3.12Å; A202-V205 PolarHBondContact O-N 3.26Å; L203-V205 VanDerWaalsContact C-N 3.35Å; V205-A207 PolarHBondContact O-N 3.45Å; V205-R208 PolarHBondContact O-N 3.03Å; V205-A209 WeakPolarHBondContact O-CB 3.45Å; V205-A209 PolarHBondContact O-N 3.06Å; V205-L234 HydrophobicContact CG2-CD1 3.59Å; V205-A237 HydrophobicContact CB-CB 4.33Å; V205-A237 HydrophobicContact CG1-CB 4.32Å; V205-L238 HydrophobicContact CG1-CD2 3.86Å; V205-L238 HydrophobicContact CG1-CG 4.48Å; V205-L238 HydrophobicContact CG2-CD2 4.14Å; V205-T241 HydrophobicContact CG1-CG2 4.33Å
206I91.4Very high90.1Very high0 Ų045.1 Ų45.10%022%0.218CC..Hα-helixtrans-60.7-45.6179.7-65.2171.3000111.2M187 A202 L203 R208 A209 A210 I220 L221 A224 A237M187-I206 HydrophobicContact CE-CB 4.04Å; M187-I206 HydrophobicContact CE-CG2 3.91Å; M187-I206 HydrophobicContact SD-CB 4.3Å; M187-I206 HydrophobicContact SD-CG2 3.6Å; A202-I206 WeakPolarHBondContact O-CG1 3.48Å; A202-I206 PolarHBondContact O-N 3.19Å; L203-I206 PolarHBondContact O-N 3.44Å; I206-R208 VanDerWaalsContact C-N 3.31Å; I206-R208 PolarHBondContact O-N 2.87Å; I206-A209 PolarHBondContact O-N 2.99Å; I206-A210 WeakPolarHBondContact O-CB 3.44Å; I206-A210 PolarHBondContact O-N 3.4Å; I206-I220 HydrophobicContact CB-CG2 4.24Å; I206-I220 HydrophobicContact CD1-CG2 4.48Å; I206-I220 HydrophobicContact CG1-CG2 3.87Å; I206-I220 HydrophobicContact CG2-CB 3.93Å; I206-I220 HydrophobicContact CG2-CG2 3.72Å; I206-L221 HydrophobicContact CD1-CD1 3.97Å; I206-A224 HydrophobicContact CD1-CB 4.05Å; I206-A237 HydrophobicContact CD1-CB 4.21Å; I206-A237 HydrophobicContact CG1-CB 4Å
207A91.3Very high90.4Very high0 Ų042 Ų420%020%0.204CC..Hα-helixtrans-62.3-37.8-18000000112.5V180 I183 I184 M187 L203 V205V180-A207 HydrophobicContact CG1-CB 3.84Å; I183-A207 HydrophobicContact CB-CB 4.04Å; I183-A207 HydrophobicContact CG2-CB 3.78Å; I184-A207 HydrophobicContact CD1-CB 4.39Å; I184-A207 HydrophobicContact CG1-CB 3.68Å; M187-A207 HydrophobicContact CE-CB 3.94Å; L203-A207 VanDerWaalsContact O-CB 3.25Å; L203-A207 WeakPolarHBondContact O-CB 3.36Å; L203-A207 PolarHBondContact O-N 3.41Å; V205-A207 PolarHBondContact O-N 3.45Å
208R85.7Confident90.4Very high112 Ų11239.1 Ų39.142%0.42318%0.184SC..Hα-helixtrans-68.7-43.9174.6-172.7179.5-56.8-176.74.7111.4S204 V205 I206 A210 E211S204-R208 WeakPolarHBondContact O-CB 3.35Å; S204-R208 PolarHBondContact O-N 3.13Å; S204-R208 VanDerWaalsContact O-N 3.14Å; V205-R208 PolarHBondContact O-N 3.03Å; I206-R208 VanDerWaalsContact C-N 3.31Å; I206-R208 PolarHBondContact O-N 2.87Å; R208-A210 PolarHBondContact O-N 3.41Å; R208-E211 PolarHBondContact O-N 2.97Å; R208-E211 VanDerWaalsContact O-N 3.15Å
209A86.1Confident90.4Very high17 Ų1737.7 Ų37.714%0.1418%0.184CC..Hα-helixtrans-62.6-30179.100000112.8V205 I206 E211 I220 T241V205-A209 WeakPolarHBondContact O-CB 3.45Å; V205-A209 PolarHBondContact O-N 3.06Å; I206-A209 PolarHBondContact O-N 2.99Å; A209-E211 VanDerWaalsContact C-N 3.27Å; A209-E211 PolarHBondContact O-N 3.33Å; A209-I220 HydrophobicContact CB-CD1 4.07Å; A209-T241 HydrophobicContact CB-CG2 3.59Å
210A89.1Confident90.4Very high8 Ų836.2 Ų36.27%0.06618%0.177CC..THydrogen-bonded Turntrans-75.5-7.8177.500000115.2I206 R208 G212 G213 A217I206-A210 WeakPolarHBondContact O-CB 3.44Å; I206-A210 PolarHBondContact O-N 3.4Å; R208-A210 PolarHBondContact O-N 3.41Å; A210-G212 PolarHBondContact O-N 2.91Å; A210-G213 PolarHBondContact O-N 3.5Å; A210-A217 HydrophobicContact CB-CB 3.54Å
211E86.9Confident90.6Very high103 Ų10329.3 Ų29.348%0.48115%0.145SC..THydrogen-bonded Turntrans48.833.9177.5-57.7-172.5177.300115.5R177 R208 A209 R280R177-E211 WeakPolarHBondContact CD-O 3.46Å; R177-E211 PolarHBondContact NH1-O 3.42Å; R177-E211 IonicContact NH1-OE2 2.74Å; R208-E211 PolarHBondContact O-N 2.97Å; R208-E211 VanDerWaalsContact O-N 3.15Å; A209-E211 VanDerWaalsContact C-N 3.27Å; A209-E211 PolarHBondContact O-N 3.33Å; E211-R280 IonicContact OE1-NH1 2.64Å
212G88.7Confident90.9Very high6 Ų625.2 Ų25.26%0.06213%0.127CC..THydrogen-bonded Turntrans88.28.2179.500000115.5I178 A210I178-G212 PolarHBondContact N-O 3.42Å; I178-G212 WeakPolarHBondContact O-CA 3.46Å; A210-G212 PolarHBondContact O-N 2.91Å
213G92.3Very high91Very high2 Ų230.4 Ų30.42%0.02115%0.151CC..  trans-99.1113.7172.200000112.4A210 R215 D216 A217A210-G213 PolarHBondContact O-N 3.5Å; G213-R215 VanDerWaalsContact C-N 3.32Å; G213-R215 PolarHBondContact O-N 3.44Å; G213-D216 PolarHBondContact O-N 3.15Å; G213-A217 PolarHBondContact O-N 2.96Å
214M94.8Very high91Very high23 Ų2330.3 Ų30.311%0.11315%0.151CC..Hα-helixtrans-65.1-35.5179.7-167.470.7-141.400112.5G48 I178 I183 R186 M187 D216 A217 L218G48-M214 PolarHBondContact O-N 3.36Å; I178-M214 HydrophobicContact CD1-CB 3.65Å; I183-M214 HydrophobicContact CG1-SD 4.35Å; I183-M214 HydrophobicContact CG2-CE 4.45Å; I183-M214 HydrophobicContact CG2-SD 4.2Å; R186-M214 HydrophobicContact CB-CE 3.83Å; R186-M214 HydrophobicContact CB-SD 4.03Å; R186-M214 HydrophobicContact CG-CE 3.52Å; R186-M214 HydrophobicContact CG-SD 3.92Å; M187-M214 HydrophobicContact CG-CE 3.94Å; M214-D216 VanDerWaalsContact C-N 3.32Å; M214-D216 PolarHBondContact O-N 2.95Å; M214-A217 PolarHBondContact O-N 3.32Å; M214-L218 HydrophobicContact CE-CD1 4.19Å; M214-L218 HydrophobicContact CE-CD2 3.51Å; M214-L218 HydrophobicContact CE-CG 3.63Å; M214-L218 HydrophobicContact CG-CD1 4.42Å; M214-L218 HydrophobicContact CG-CG 4.46Å; M214-L218 WeakPolarHBondContact O-CG 3.44Å; M214-L218 PolarHBondContact O-N 3.38Å
215R93.1Very high91.1Very high82 Ų8231 Ų3131%0.30915%0.152SC..Hα-helixtrans-58.8-47.5176.3-176.1-177.2-66.71741110.7Y7 G48 G213 L218 S219Y7-R215 HydrophobicContact CD2-CG 4.34Å; Y7-R215 HydrophobicContact CG-CG 4.4Å; G48-R215 PolarHBondContact O-N 3.19Å; G213-R215 VanDerWaalsContact C-N 3.32Å; G213-R215 PolarHBondContact O-N 3.44Å; R215-L218 PolarHBondContact O-N 2.88Å; R215-S219 PolarHBondContact O-N 3.21Å; R215-S219 PolarHBondContact O-OG 3.48Å
216D92.5Very high91.2Very high35 Ų3533.7 Ų33.719%0.18717%0.172CC..Hα-helixtrans-70.8-37.7-177.2-53.1-59.8000110.3R47 G213 M214 L218 S219 I220R47-D216 IonicContact CZ-OD1 3.92Å; R47-D216 IonicContact NE-OD1 3.26Å; R47-D216 PolarHBondContact NE-OD1 3.02Å; R47-D216 VanDerWaalsContact NE-OD1 3.16Å; R47-D216 IonicContact NE-OD2 3.94Å; R47-D216 IonicContact NH2-OD1 3.75Å; R47-D216 PolarHBondContact NH2-OD1 3.26Å; G213-D216 PolarHBondContact O-N 3.15Å; M214-D216 VanDerWaalsContact C-N 3.32Å; M214-D216 PolarHBondContact O-N 2.95Å; D216-L218 PolarHBondContact O-N 3.29Å; D216-S219 PolarHBondContact O-N 3.34Å; D216-I220 VanDerWaalsContact O-CG1 3.28Å; D216-I220 WeakPolarHBondContact O-CG1 3.18Å; D216-I220 PolarHBondContact O-N 3.36Å
217A94.4Very high91.1Very high0 Ų039.3 Ų39.30%020%0.197CC..Hα-helixtrans-57.5-46.5171.600000112.7I183 M187 A210 G213 M214 I220 L221I183-A217 HydrophobicContact CG2-CB 3.55Å; M187-A217 HydrophobicContact SD-CB 4.17Å; A210-A217 HydrophobicContact CB-CB 3.54Å; G213-A217 PolarHBondContact O-N 2.96Å; M214-A217 PolarHBondContact O-N 3.32Å; A217-I220 PolarHBondContact O-N 3.41Å; A217-L221 VanDerWaalsContact O-CB 3.31Å; A217-L221 WeakPolarHBondContact O-CB 3.1Å; A217-L221 PolarHBondContact O-N 3.5Å
218L94.5Very high90.8Very high8 Ų839.8 Ų39.84%0.04220%0.201CC..Hα-helixtrans-68.5-34.5177.6-67.6-179000112.7W10 M187 I190 M214 R215 D216 L221 D222W10-L218 HydrophobicContact CB-CD1 4.31Å; M187-L218 HydrophobicContact CG-CD2 4.49Å; I190-L218 HydrophobicContact CD1-CD1 4.26Å; I190-L218 HydrophobicContact CD1-CD2 3.46Å; I190-L218 VanDerWaalsContact CD1-CD2 3.46Å; M214-L218 HydrophobicContact CE-CD1 4.19Å; M214-L218 HydrophobicContact CE-CD2 3.51Å; M214-L218 HydrophobicContact CE-CG 3.63Å; M214-L218 HydrophobicContact CG-CD1 4.42Å; M214-L218 HydrophobicContact CG-CG 4.46Å; M214-L218 WeakPolarHBondContact O-CG 3.44Å; M214-L218 PolarHBondContact O-N 3.38Å; R215-L218 PolarHBondContact O-N 2.88Å; D216-L218 PolarHBondContact O-N 3.29Å; L218-L221 HydrophobicContact CD2-CD2 4.26Å; L218-L221 PolarHBondContact O-N 3.19Å; L218-D222 VanDerWaalsContact O-CB 3.29Å; L218-D222 WeakPolarHBondContact O-CB 3.44Å; L218-D222 PolarHBondContact O-N 3.01Å
219S93.3Very high90.5Very high34 Ų3442.4 Ų42.424%0.23822%0.223CC..Hα-helixtrans-65.4-42.5174.4-71.30000112.1R215 D216 D222 Q223R215-S219 PolarHBondContact O-N 3.21Å; R215-S219 PolarHBondContact O-OG 3.48Å; D216-S219 PolarHBondContact O-N 3.34Å; S219-D222 WeakPolarHBondContact O-CB 3.24Å; S219-D222 PolarHBondContact O-N 3.5Å; S219-Q223 WeakPolarHBondContact O-CG 3.35Å; S219-Q223 PolarHBondContact O-N 3.13Å
220I92Very high90.4Very high29 Ų2949.2 Ų49.215%0.14925%0.252CS..Hα-helixtrans-66.6-41.5175.2-64.6165.6000110I206 A209 D216 A217 D222 Q223 A224 V240 T241I206-I220 HydrophobicContact CB-CG2 4.24Å; I206-I220 HydrophobicContact CD1-CG2 4.48Å; I206-I220 HydrophobicContact CG1-CG2 3.87Å; I206-I220 HydrophobicContact CG2-CB 3.93Å; I206-I220 HydrophobicContact CG2-CG2 3.72Å; A209-I220 HydrophobicContact CB-CD1 4.07Å; D216-I220 VanDerWaalsContact O-CG1 3.28Å; D216-I220 WeakPolarHBondContact O-CG1 3.18Å; D216-I220 PolarHBondContact O-N 3.36Å; A217-I220 PolarHBondContact O-N 3.41Å; I220-D222 VanDerWaalsContact C-N 3.34Å; I220-D222 PolarHBondContact O-N 3.01Å; I220-Q223 WeakPolarHBondContact O-CB 3.16Å; I220-Q223 PolarHBondContact O-N 3.31Å; I220-A224 WeakPolarHBondContact O-CB 3.38Å; I220-A224 PolarHBondContact O-N 3.44Å; I220-V240 HydrophobicContact CG2-CG1 4.16Å; I220-T241 HydrophobicContact CG2-CG2 3.52Å
221L94.1Very high90.4Very high0 Ų053 Ų530%027%0.267CS..Hα-helixtrans-61.3-41.7176.5-176.665000112.4L6 M187 L191 L203 I206 A217 L218 Q223 A224 I225 I232L6-L221 HydrophobicContact CD1-CD2 4.15Å; L6-L221 HydrophobicContact CD1-CG 4.19Å; M187-L221 HydrophobicContact CB-CD2 4.05Å; M187-L221 HydrophobicContact CG-CD2 4.01Å; M187-L221 HydrophobicContact SD-CB 4.26Å; M187-L221 HydrophobicContact SD-CD2 4.17Å; L191-L221 HydrophobicContact CD1-CD1 4.08Å; L191-L221 HydrophobicContact CD1-CD2 4.49Å; L191-L221 HydrophobicContact CD2-CD1 4.22Å; L191-L221 HydrophobicContact CD2-CD2 4.29Å; L191-L221 HydrophobicContact CG-CD1 4.48Å; L191-L221 HydrophobicContact CG-CD2 4.25Å; L203-L221 HydrophobicContact CD2-CD1 4.18Å; I206-L221 HydrophobicContact CD1-CD1 3.97Å; A217-L221 VanDerWaalsContact O-CB 3.31Å; A217-L221 WeakPolarHBondContact O-CB 3.1Å; A217-L221 PolarHBondContact O-N 3.5Å; L218-L221 HydrophobicContact CD2-CD2 4.26Å; L218-L221 PolarHBondContact O-N 3.19Å; L221-Q223 VanDerWaalsContact C-N 3.29Å; L221-Q223 PolarHBondContact O-N 2.71Å; L221-A224 PolarHBondContact O-N 3.36Å; L221-I225 HydrophobicContact CG-CD1 4.07Å; L221-I225 WeakPolarHBondContact O-CG1 3.29Å; L221-I225 PolarHBondContact O-N 3.37Å; L221-I232 HydrophobicContact CD1-CD1 3.83Å
222D92.3Very high90.7Very high20 Ų2048.1 Ų48.111%0.10724%0.244CC..Hα-helixtrans-59.3-41.2176.2-158.445.4000111.6Y3 A5 L6 L218 S219 I220 S226Y3-D222 PolarHBondContact OH-OD1 2.99Å; Y3-D222 PolarHBondContact OH-OD2 2.91Å; A5-D222 WeakPolarHBondContact CA-OD2 3.43Å; A5-D222 WeakPolarHBondContact CB-OD2 3.27Å; L6-D222 HydrophobicContact CB-CB 4.4Å; L6-D222 HydrophobicContact CD1-CB 4.28Å; L6-D222 HydrophobicContact CG-CB 4.41Å; L6-D222 WeakPolarHBondContact CG-OD1 3.39Å; L6-D222 PolarHBondContact N-OD1 3.49Å; L218-D222 VanDerWaalsContact O-CB 3.29Å; L218-D222 WeakPolarHBondContact O-CB 3.44Å; L218-D222 PolarHBondContact O-N 3.01Å; S219-D222 WeakPolarHBondContact O-CB 3.24Å; S219-D222 PolarHBondContact O-N 3.5Å; I220-D222 VanDerWaalsContact C-N 3.34Å; I220-D222 PolarHBondContact O-N 3.01Å; D222-S226 WeakPolarHBondContact O-CB 3.37Å; D222-S226 PolarHBondContact O-N 2.72Å; D222-S226 VanDerWaalsContact O-N 3.1Å; D222-S226 PolarHBondContact O-OG 2.91Å
223Q91.1Very high90.8Very high109 Ų10949.5 Ų49.551%0.50925%0.251SS..Hα-helixtrans-68.3-42.4174-69174.113.100111.8S219 I220 L221 I225 S226 F227 V240S219-Q223 WeakPolarHBondContact O-CG 3.35Å; S219-Q223 PolarHBondContact O-N 3.13Å; I220-Q223 WeakPolarHBondContact O-CB 3.16Å; I220-Q223 PolarHBondContact O-N 3.31Å; L221-Q223 VanDerWaalsContact C-N 3.29Å; L221-Q223 PolarHBondContact O-N 2.71Å; Q223-I225 VanDerWaalsContact C-N 3.35Å; Q223-I225 PolarHBondContact O-N 3.17Å; Q223-S226 PolarHBondContact O-N 2.72Å; Q223-F227 WeakPolarHBondContact O-CB 3.26Å; Q223-F227 PolarHBondContact O-N 3.07Å; Q223-V240 HydrophobicContact CB-CG1 3.52Å
224A91.7Very high90.5Very high0 Ų051.7 Ų51.70%026%0.262CS..Hα-helixtrans-61.4-41.7176.800000111.9I206 I220 L221 S226 F227 S228 I232I206-A224 HydrophobicContact CD1-CB 4.05Å; I220-A224 WeakPolarHBondContact O-CB 3.38Å; I220-A224 PolarHBondContact O-N 3.44Å; L221-A224 PolarHBondContact O-N 3.36Å; A224-S226 VanDerWaalsContact C-N 3.34Å; A224-F227 PolarHBondContact O-N 3.07Å; A224-S228 VanDerWaalsContact O-CB 3.3Å; A224-S228 WeakPolarHBondContact O-CB 3.36Å; A224-S228 PolarHBondContact O-N 3.44Å; A224-S228 PolarHBondContact O-OG 3.44Å; A224-I232 HydrophobicContact CB-CG2 4.18Å
225I91Very high90.1Very high34 Ų3458 Ų5817%0.17429%0.292CS..Hα-helixtrans-61.9-43.8173.9-69.7160.4000110.8L6 L191 L221 Q223 F227 S228 I232L6-I225 HydrophobicContact CD1-CD1 3.46Å; L6-I225 VanDerWaalsContact CD1-CD1 3.46Å; L191-I225 HydrophobicContact CD2-CD1 3.94Å; L191-I225 HydrophobicContact CD2-CG1 4.32Å; L221-I225 HydrophobicContact CG-CD1 4.07Å; L221-I225 WeakPolarHBondContact O-CG1 3.29Å; L221-I225 PolarHBondContact O-N 3.37Å; Q223-I225 VanDerWaalsContact C-N 3.35Å; Q223-I225 PolarHBondContact O-N 3.17Å; I225-F227 VanDerWaalsContact C-N 3.28Å; I225-F227 PolarHBondContact O-N 3.21Å; I225-S228 WeakPolarHBondContact CA-OG 3.39Å; I225-S228 PolarHBondContact O-N 3.46Å; I225-S228 VanDerWaalsContact O-O 3.13Å; I225-S228 PolarHBondContact O-OG 3.15Å; I225-I232 HydrophobicContact CD1-CD1 4.37Å; I225-I232 HydrophobicContact CG1-CD1 3.51Å; I225-I232 HydrophobicContact CG1-CG1 4.18Å
226S89Confident89.9Confident85 Ų8555.2 Ų55.259%0.59428%0.283SS*.Hα-helixtrans-68.7-27.9-179.8-590000113D222 Q223 A224D222-S226 WeakPolarHBondContact O-CB 3.37Å; D222-S226 PolarHBondContact O-N 2.72Å; D222-S226 VanDerWaalsContact O-N 3.1Å; D222-S226 PolarHBondContact O-OG 2.91Å; Q223-S226 PolarHBondContact O-N 2.72Å; A224-S226 VanDerWaalsContact C-N 3.34Å
227F88.6Confident89.7Confident118 Ų11853.6 Ų53.652%0.51827%0.274SS..Hα-helixtrans-83.1-37.6177.9-173.5-96.1000111.9Q223 A224 I225 D236 A239 V240Q223-F227 WeakPolarHBondContact O-CB 3.26Å; Q223-F227 PolarHBondContact O-N 3.07Å; A224-F227 PolarHBondContact O-N 3.07Å; I225-F227 VanDerWaalsContact C-N 3.28Å; I225-F227 PolarHBondContact O-N 3.21Å; F227-D236 HydrophobicContact CD1-CB 3.89Å; F227-D236 WeakPolarHBondContact CD1-OD1 3.27Å; F227-D236 HydrophobicContact CE1-CB 4.4Å; F227-D236 WeakPolarHBondContact CE1-OD1 3.33Å; F227-A239 HydrophobicContact CE1-CB 4.01Å; F227-A239 HydrophobicContact CZ-CB 4.09Å; F227-V240 HydrophobicContact CB-CG2 3.83Å; F227-V240 HydrophobicContact CD1-CG2 4.38Å; F227-V240 HydrophobicContact CG-CG2 4.01Å
228S86.4Confident89.2Confident11 Ų1154.3 Ų54.38%0.07728%0.278CS..  trans-71.8146.2178.268.30000111.9A224 I225 K231A224-S228 VanDerWaalsContact O-CB 3.3Å; A224-S228 WeakPolarHBondContact O-CB 3.36Å; A224-S228 PolarHBondContact O-N 3.44Å; A224-S228 PolarHBondContact O-OG 3.44Å; I225-S228 WeakPolarHBondContact CA-OG 3.39Å; I225-S228 PolarHBondContact O-N 3.46Å; I225-S228 VanDerWaalsContact O-O 3.13Å; I225-S228 PolarHBondContact O-OG 3.15Å; S228-K231 WeakPolarHBondContact CB-O 3.43Å
229N79.2Confident88.7Confident167 Ų16756.3 Ų56.389%0.89330%0.295SS*.SBendtrans-77.7-52.4177.3-73.3-29.8000112.6
230E82.4Confident88.4Confident159 Ų15956.3 Ų56.374%0.74329%0.294SS*.SBendtrans-139.2-31.1-174.6-67.8-174.7168.900113P197P197-E230 VanDerWaalsContact CD-O 3.24Å; P197-E230 WeakPolarHBondContact CD-O 3.47Å; P197-E230 WeakPolarHBondContact CG-O 3.29Å
231K91Very high88Confident88 Ų8856 Ų5638%0.38329%0.293SS..SBendtrans-132.3133.2-178.5-176.6-170-177.3-152.80109.2P197 E199 S228 T233P197-K231 HydrophobicContact CB-CB 4.38Å; P197-K231 HydrophobicContact CB-CG 4.06Å; P197-K231 HydrophobicContact CG-CB 4.02Å; P197-K231 HydrophobicContact CG-CG 4.25Å; P197-K231 WeakPolarHBondContact O-CA 3.18Å; P197-K231 WeakPolarHBondContact O-CG 3.35Å; E199-K231 VanDerWaalsContact CG-NZ 3.25Å; E199-K231 IonicContact OE1-NZ 3.16Å; E199-K231 PolarHBondContact OE1-NZ 3.17Å; S228-K231 WeakPolarHBondContact CB-O 3.43Å; K231-T233 PolarHBondContact O-N 3.49Å
232I91.5Very high87.1Confident0 Ų057 Ų570%030%0.303CS..BIsolated β-bridgetrans-74.3109.5174.6-52.6173.2000108.6L191 P197 Y198 E199 A202 L221 A224 I225L191-I232 HydrophobicContact CD1-CD1 4.02Å; L191-I232 HydrophobicContact CD2-CD1 3.53Å; L191-I232 HydrophobicContact CG-CD1 4.45Å; P197-I232 PolarHBondContact O-N 2.89Å; Y198-I232 CarbonylContact C-O 3.55Å; E199-I232 PolarHBondContact N-O 3.43Å; A202-I232 HydrophobicContact CB-CG2 4.12Å; L221-I232 HydrophobicContact CD1-CD1 3.83Å; A224-I232 HydrophobicContact CB-CG2 4.18Å; I225-I232 HydrophobicContact CD1-CD1 4.37Å; I225-I232 HydrophobicContact CG1-CD1 3.51Å; I225-I232 HydrophobicContact CG1-CG1 4.18Å
233T91Very high86.2Confident35 Ų3556.5 Ų56.522%0.21530%0.302CS..  trans-95.8165.4179.468.50000112.2E199 A202 K231 E235 D236 A237E199-T233 WeakPolarHBondContact OE2-CA 3.13Å; A202-T233 WeakPolarHBondContact CB-O 3.49Å; K231-T233 PolarHBondContact O-N 3.49Å; T233-E235 VanDerWaalsContact C-N 3.27Å; T233-E235 PolarHBondContact O-N 3.33Å; T233-D236 WeakPolarHBondContact CB-OD2 3.34Å; T233-D236 PolarHBondContact N-OD2 2.89Å; T233-D236 PolarHBondContact O-N 3.45Å; T233-D236 PolarHBondContact OG1-N 2.99Å; T233-D236 PolarHBondContact OG1-OD2 2.79Å; T233-A237 PolarHBondContact O-N 3.49Å
234L87.4Confident85.3Confident48 Ų4851.7 Ų51.725%0.25128%0.28SS..Hα-helixtrans-57.6-40.8171.3177.262.6000112E199 Q201 V205 D236 A237 L238E199-L234 PolarHBondContact OE2-N 2.98Å; Q201-L234 HydrophobicContact CB-CD1 4.12Å; V205-L234 HydrophobicContact CG2-CD1 3.59Å; L234-D236 PolarHBondContact O-N 3.41Å; L234-A237 PolarHBondContact O-N 3.01Å; L234-L238 HydrophobicContact CD1-CD1 4.16Å; L234-L238 HydrophobicContact CD1-CG 4.22Å; L234-L238 HydrophobicContact CG-CD1 3.95Å; L234-L238 HydrophobicContact CG-CG 4.43Å; L234-L238 WeakPolarHBondContact O-CG 3.17Å; L234-L238 PolarHBondContact O-N 3.46Å
235E85.9Confident84.5Confident157 Ų15754 Ų5473%0.73429%0.294SS*.Hα-helixtrans-62-43.5179.7-66.7179.4-174.600111.2T233 A237 L238 A239T233-E235 VanDerWaalsContact C-N 3.27Å; T233-E235 PolarHBondContact O-N 3.33Å; E235-A237 PolarHBondContact O-N 3.38Å; E235-L238 PolarHBondContact O-N 3.25Å; E235-A239 WeakPolarHBondContact O-CB 3.19Å; E235-A239 PolarHBondContact O-N 3.39Å
236D88.9Confident83.6Confident23 Ų2354.1 Ų54.112%0.12330%0.296CS..Hα-helixtrans-60.1-45.4176.1-58.8-40.5000111.5F227 T233 L234 L238 A239 V240F227-D236 HydrophobicContact CD1-CB 3.89Å; F227-D236 WeakPolarHBondContact CD1-OD1 3.27Å; F227-D236 HydrophobicContact CE1-CB 4.4Å; F227-D236 WeakPolarHBondContact CE1-OD1 3.33Å; T233-D236 WeakPolarHBondContact CB-OD2 3.34Å; T233-D236 PolarHBondContact N-OD2 2.89Å; T233-D236 PolarHBondContact O-N 3.45Å; T233-D236 PolarHBondContact OG1-N 2.99Å; T233-D236 PolarHBondContact OG1-OD2 2.79Å; L234-D236 PolarHBondContact O-N 3.41Å; D236-L238 VanDerWaalsContact C-N 3.35Å; D236-L238 PolarHBondContact O-N 3.18Å; D236-A239 PolarHBondContact O-N 2.89Å; D236-V240 WeakPolarHBondContact O-CB 3.35Å; D236-V240 WeakPolarHBondContact O-CG2 3.47Å; D236-V240 PolarHBondContact O-N 3.01Å
237A87.7Confident83Confident0 Ų056.6 Ų56.60%030%0.298CS..Hα-helixtrans-64.2-38.9178.600000112.3A202 V205 I206 T233 L234 E235 T241A202-A237 HydrophobicContact CB-CB 3.87Å; V205-A237 HydrophobicContact CB-CB 4.33Å; V205-A237 HydrophobicContact CG1-CB 4.32Å; I206-A237 HydrophobicContact CD1-CB 4.21Å; I206-A237 HydrophobicContact CG1-CB 4Å; T233-A237 PolarHBondContact O-N 3.49Å; L234-A237 PolarHBondContact O-N 3.01Å; E235-A237 PolarHBondContact O-N 3.38Å; A237-T241 VanDerWaalsContact O-CB 3.31Å; A237-T241 WeakPolarHBondContact O-CB 3.35Å; A237-T241 VanDerWaalsContact O-CG2 3.23Å; A237-T241 WeakPolarHBondContact O-CG2 3.32Å; A237-T241 PolarHBondContact O-N 2.98Å; A237-T241 PolarHBondContact O-OG1 3.09Å
238L83.9Confident82.6Confident16 Ų1652.7 Ų52.78%0.08428%0.282CS..Hα-helixtrans-70-39.3176.6-70.5172.4000112.1V205 L234 E235 D236 G242 S243 T245 K276V205-L238 HydrophobicContact CG1-CD2 3.86Å; V205-L238 HydrophobicContact CG1-CG 4.48Å; V205-L238 HydrophobicContact CG2-CD2 4.14Å; L234-L238 HydrophobicContact CD1-CD1 4.16Å; L234-L238 HydrophobicContact CD1-CG 4.22Å; L234-L238 HydrophobicContact CG-CD1 3.95Å; L234-L238 HydrophobicContact CG-CG 4.43Å; L234-L238 WeakPolarHBondContact O-CG 3.17Å; L234-L238 PolarHBondContact O-N 3.46Å; E235-L238 PolarHBondContact O-N 3.25Å; D236-L238 VanDerWaalsContact C-N 3.35Å; D236-L238 PolarHBondContact O-N 3.18Å; L238-G242 PolarHBondContact O-N 3.23Å; L238-G242 VanDerWaalsContact O-N 3.12Å; L238-S243 PolarHBondContact O-N 2.99Å; L238-T245 HydrophobicContact CD1-CG2 3.54Å; L238-K276 PolarHBondContact O-NZ 3.1Å
239A84.4Confident82.4Confident50 Ų5053.2 Ų53.241%0.41328%0.283SS..Hα-helixtrans-61.8-51.2174.900000110.9F227 E235 D236 G242F227-A239 HydrophobicContact CE1-CB 4.01Å; F227-A239 HydrophobicContact CZ-CB 4.09Å; E235-A239 WeakPolarHBondContact O-CB 3.19Å; E235-A239 PolarHBondContact O-N 3.39Å; D236-A239 PolarHBondContact O-N 2.89Å; A239-G242 PolarHBondContact O-N 2.74Å
240V86.5Confident82.6Confident34 Ų3445.7 Ų45.721%0.20624%0.243CC..Hα-helixtrans-67.8-41.4-177.81700000112.8I220 Q223 F227 D236 G242I220-V240 HydrophobicContact CG2-CG1 4.16Å; Q223-V240 HydrophobicContact CB-CG1 3.52Å; F227-V240 HydrophobicContact CB-CG2 3.83Å; F227-V240 HydrophobicContact CD1-CG2 4.38Å; F227-V240 HydrophobicContact CG-CG2 4.01Å; D236-V240 WeakPolarHBondContact O-CB 3.35Å; D236-V240 WeakPolarHBondContact O-CG2 3.47Å; D236-V240 PolarHBondContact O-N 3.01Å; V240-G242 PolarHBondContact O-N 2.91Å
241T83.4Confident82.7Confident21 Ų2141.3 Ų41.313%0.12923%0.23CC..Hα-helixtrans-76.3-11.8179.157.90000113.3V205 A209 I220 A237 S243V205-T241 HydrophobicContact CG1-CG2 4.33Å; A209-T241 HydrophobicContact CB-CG2 3.59Å; I220-T241 HydrophobicContact CG2-CG2 3.52Å; A237-T241 VanDerWaalsContact O-CB 3.31Å; A237-T241 WeakPolarHBondContact O-CB 3.35Å; A237-T241 VanDerWaalsContact O-CG2 3.23Å; A237-T241 WeakPolarHBondContact O-CG2 3.32Å; A237-T241 PolarHBondContact O-N 2.98Å; A237-T241 PolarHBondContact O-OG1 3.09Å; T241-S243 WeakPolarHBondContact CB-OG 3.16Å; T241-S243 PolarHBondContact O-N 2.87Å; T241-S243 WeakPolarHBondContact OG1-CB 3.05Å; T241-S243 PolarHBondContact OG1-N 3.01Å; T241-S243 PolarHBondContact OG1-OG 2.98Å
242G76.5Confident82.6Confident21 Ų2137.2 Ų37.222%0.21621%0.212CC..THydrogen-bonded Turntrans62.615.3-169.300000113.2L238 A239 V240 K276L238-G242 PolarHBondContact O-N 3.23Å; L238-G242 VanDerWaalsContact O-N 3.12Å; A239-G242 PolarHBondContact O-N 2.74Å; V240-G242 PolarHBondContact O-N 2.91Å; G242-K276 WeakPolarHBondContact O-CD 3.31Å
243S72.7Confident82.4Confident11 Ų1137.2 Ų37.28%0.07721%0.212CC..PPolyproline II helixtrans-78.3155.3179.4-49.40000110.4L238 T241 K276L238-S243 PolarHBondContact O-N 2.99Å; T241-S243 WeakPolarHBondContact CB-OG 3.16Å; T241-S243 PolarHBondContact O-N 2.87Å; T241-S243 WeakPolarHBondContact OG1-CB 3.05Å; T241-S243 PolarHBondContact OG1-N 3.01Å; T241-S243 PolarHBondContact OG1-OG 2.98Å; S243-K276 PolarHBondContact O-NZ 3.28Å
244L71.6Confident82.2Confident8 Ų836 Ų364%0.04221%0.207CC..PPolyproline II helixtrans-82.8149.1177.6-58.2160.5000111.2M248 M249 I271 K276 L281 D284L244-M248 HydrophobicContact CD2-SD 4.4Å; L244-M249 HydrophobicContact CB-CE 4.5Å; L244-M249 HydrophobicContact CB-CG 3.76Å; L244-M249 HydrophobicContact CB-SD 4.24Å; L244-M249 HydrophobicContact CD1-CG 3.73Å; L244-M249 HydrophobicContact CD1-SD 4.28Å; L244-M249 HydrophobicContact CG-CG 4.41Å; L244-I271 HydrophobicContact CD2-CB 4.42Å; L244-I271 HydrophobicContact CD2-CD1 4.11Å; L244-I271 HydrophobicContact CD2-CG1 4.13Å; L244-I271 HydrophobicContact CD2-CG2 3.39Å; L244-K276 HydrophobicContact CD2-CG 4.47Å; L244-L281 HydrophobicContact CD1-CD1 3.2Å; L244-L281 HydrophobicContact CD1-CG 4.46Å; L244-L281 HydrophobicContact CD2-CD1 4.11Å; L244-L281 HydrophobicContact CG-CD1 4.18Å; L244-D284 HydrophobicContact CD1-CB 4.09Å
245T74.4Confident82.1Confident49 Ų4934.3 Ų34.330%0.30120%0.2SC..PPolyproline II helixtrans-65.3150.4163.662.50000109.2L238 E247 M248 M249L238-T245 HydrophobicContact CD1-CG2 3.54Å; T245-E247 PolarHBondContact O-N 2.73Å; T245-M248 PolarHBondContact O-N 2.73Å; T245-M248 WeakPolarHBondContact OG1-CB 3.45Å; T245-M248 WeakPolarHBondContact OG1-CG 3.5Å; T245-M248 PolarHBondContact OG1-N 3.1Å; T245-M248 VanDerWaalsContact OG1-N 3.09Å; T245-M249 PolarHBondContact O-N 3.21Å
246T72.8Confident82.2Confident35 Ų3526.9 Ų26.922%0.21517%0.165CC..Hα-helixtrans-57.5-36.4172.8-45.60000111M248 M249 D250 Y288 T310T246-M248 PolarHBondContact O-N 3.29Å; T246-M249 PolarHBondContact O-N 2.98Å; T246-D250 WeakPolarHBondContact O-CB 3.27Å; T246-D250 PolarHBondContact O-N 3.38Å; T246-Y288 HydrophobicContact CG2-CE2 4.37Å; T246-T310 HydrophobicContact CG2-CG2 3.8Å
247E77.3Confident82Confident138 Ų13827.8 Ų27.865%0.64517%0.17SC*.Hα-helixtrans-64.3-38.9178.8-61.9179178.300113.1T245 D250 S251T245-E247 PolarHBondContact O-N 2.73Å; E247-D250 PolarHBondContact O-N 3.12Å; E247-S251 VanDerWaalsContact O-CB 3.3Å; E247-S251 WeakPolarHBondContact O-CB 3.42Å; E247-S251 PolarHBondContact O-N 3.47Å; E247-S251 PolarHBondContact O-OG 3.47Å
248M79.5Confident81.9Confident35 Ų3535.1 Ų35.117%0.17220%0.204CC..Hα-helixtrans-66-42.7173.8-79178.2145.800111.6L244 T245 T246 S251 F252 I271 E274L244-M248 HydrophobicContact CD2-SD 4.4Å; T245-M248 PolarHBondContact O-N 2.73Å; T245-M248 WeakPolarHBondContact OG1-CB 3.45Å; T245-M248 WeakPolarHBondContact OG1-CG 3.5Å; T245-M248 PolarHBondContact OG1-N 3.1Å; T245-M248 VanDerWaalsContact OG1-N 3.09Å; T246-M248 PolarHBondContact O-N 3.29Å; M248-S251 PolarHBondContact O-N 2.92Å; M248-F252 WeakPolarHBondContact O-CB 3.44Å; M248-F252 PolarHBondContact O-N 3.45Å; M248-I271 HydrophobicContact CB-CD1 4.38Å; M248-I271 HydrophobicContact CE-CG1 4.03Å; M248-I271 HydrophobicContact SD-CG1 4.08Å; M248-E274 VanDerWaalsContact CE-CD 3.45Å; M248-E274 WeakPolarHBondContact CE-OE1 3.44Å; M248-E274 WeakPolarHBondContact CE-OE2 3.39Å
249M82.6Confident81.9Confident22 Ų2239.7 Ų39.711%0.10823%0.225CC..Hα-helixtrans-64.7-43.4175.6-68.6-175.1-72.700111.5L244 T245 T246 S251 F252 I253 D284 Y288L244-M249 HydrophobicContact CB-CE 4.5Å; L244-M249 HydrophobicContact CB-CG 3.76Å; L244-M249 HydrophobicContact CB-SD 4.24Å; L244-M249 HydrophobicContact CD1-CG 3.73Å; L244-M249 HydrophobicContact CD1-SD 4.28Å; L244-M249 HydrophobicContact CG-CG 4.41Å; T245-M249 PolarHBondContact O-N 3.21Å; T246-M249 PolarHBondContact O-N 2.98Å; M249-S251 VanDerWaalsContact C-N 3.32Å; M249-S251 PolarHBondContact O-N 3.39Å; M249-F252 PolarHBondContact O-N 3.29Å; M249-I253 WeakPolarHBondContact O-CB 3.44Å; M249-I253 VanDerWaalsContact O-CG1 3.27Å; M249-I253 WeakPolarHBondContact O-CG1 3.37Å; M249-I253 PolarHBondContact O-N 2.89Å; M249-D284 HydrophobicContact SD-CB 4.26Å; M249-Y288 HydrophobicContact CB-CD2 3.9Å; M249-Y288 HydrophobicContact CB-CE2 3.96Å; M249-Y288 HydrophobicContact CB-CG 4.32Å; M249-Y288 HydrophobicContact CE-CD2 4.06Å; M249-Y288 HydrophobicContact CG-CD2 4.49Å; M249-Y288 HydrophobicContact SD-CD2 3.85Å; M249-Y288 HydrophobicContact SD-CG 4.24Å
250D83.3Confident82.1Confident10 Ų1040.6 Ų40.65%0.05322%0.223CC..Hα-helixtrans-59.5-44.1175.9-68.3-13.4000110.6T246 E247 G254 Y288 T310 T312 L316T246-D250 WeakPolarHBondContact O-CB 3.27Å; T246-D250 PolarHBondContact O-N 3.38Å; E247-D250 PolarHBondContact O-N 3.12Å; D250-G254 WeakPolarHBondContact O-CA 3.39Å; D250-G254 PolarHBondContact O-N 3.46Å; D250-Y288 WeakPolarHBondContact OD1-CE2 3.26Å; D250-Y288 VanDerWaalsContact OD1-CZ 3.26Å; D250-Y288 PolarHBondContact OD1-OH 3.3Å; D250-T310 PolarHBondContact OD2-OG1 3.14Å; D250-T312 WeakPolarHBondContact OD2-CB 3.44Å; D250-T312 PolarHBondContact OD2-OG1 3.19Å; D250-L316 HydrophobicContact CB-CD1 4.2Å
251S85Confident82.2Confident67 Ų6741.2 Ų41.247%0.46923%0.227SC..Hα-helixtrans-67.2-44.9178.9-59.40000112E247 M248 M249 G254 A255E247-S251 VanDerWaalsContact O-CB 3.3Å; E247-S251 WeakPolarHBondContact O-CB 3.42Å; E247-S251 PolarHBondContact O-N 3.47Å; E247-S251 PolarHBondContact O-OG 3.47Å; M248-S251 PolarHBondContact O-N 2.92Å; M249-S251 VanDerWaalsContact C-N 3.32Å; M249-S251 PolarHBondContact O-N 3.39Å; S251-G254 PolarHBondContact O-N 3.2Å; S251-A255 WeakPolarHBondContact O-CB 3.5Å; S251-A255 PolarHBondContact O-N 2.94Å
252F88.1Confident82.5Confident1 Ų144 Ų440%0.00425%0.247CC..Hα-helixtrans-65-48.4178.9-179.1-96.1000112M248 M249 G254 A255 C256 V267 L268 L285 T353 L356M248-F252 WeakPolarHBondContact O-CB 3.44Å; M248-F252 PolarHBondContact O-N 3.45Å; M249-F252 PolarHBondContact O-N 3.29Å; F252-G254 VanDerWaalsContact C-N 3.35Å; F252-A255 PolarHBondContact O-N 2.94Å; F252-C256 PolarHBondContact O-N 3.4Å; F252-C256 PolarHBondContact O-SG 2.84Å; F252-V267 HydrophobicContact CB-CG1 3.88Å; F252-V267 HydrophobicContact CD2-CB 4.47Å; F252-V267 HydrophobicContact CD2-CG1 4.13Å; F252-L268 HydrophobicContact CE2-CB 4.11Å; F252-L285 HydrophobicContact CD1-CD1 3.97Å; F252-L285 HydrophobicContact CD1-CD2 3.53Å; F252-L285 HydrophobicContact CD1-CG 4.42Å; F252-L285 HydrophobicContact CE1-CD1 3.56Å; F252-L285 HydrophobicContact CE1-CD2 3.96Å; F252-L285 HydrophobicContact CE1-CG 4.43Å; F252-L285 HydrophobicContact CG-CD2 4.44Å; F252-L285 HydrophobicContact CZ-CD1 4.24Å; F252-T353 HydrophobicContact CE2-CG2 3.75Å; F252-T353 HydrophobicContact CZ-CG2 3.83Å; F252-T353 WeakPolarHBondContact CZ-OG1 2.99Å; F252-L356 HydrophobicContact CE1-CD1 4.36Å
253I86.7Confident83Confident1 Ų143.6 Ų43.61%0.00524%0.242CC..Hα-helixtrans-67.1-39177.8-64.9-68.8000110.4M249 C256 L257 L285 Y288 L292 L316 M328M249-I253 WeakPolarHBondContact O-CB 3.44Å; M249-I253 VanDerWaalsContact O-CG1 3.27Å; M249-I253 WeakPolarHBondContact O-CG1 3.37Å; M249-I253 PolarHBondContact O-N 2.89Å; I253-C256 WeakPolarHBondContact O-CB 3.37Å; I253-C256 PolarHBondContact O-N 2.94Å; I253-L257 HydrophobicContact CG2-CD1 3.86Å; I253-L257 HydrophobicContact CG2-CG 4.39Å; I253-L257 VanDerWaalsContact O-CG 3.27Å; I253-L257 WeakPolarHBondContact O-CG 3.48Å; I253-L257 PolarHBondContact O-N 3.49Å; I253-L285 HydrophobicContact CD1-CD2 4.09Å; I253-L285 HydrophobicContact CG1-CD2 4.26Å; I253-Y288 HydrophobicContact CB-CE1 4.24Å; I253-Y288 HydrophobicContact CG1-CD1 3.89Å; I253-Y288 HydrophobicContact CG1-CE1 3.85Å; I253-Y288 HydrophobicContact CG2-CE1 4.32Å; I253-L292 HydrophobicContact CG2-CD1 4.31Å; I253-L316 HydrophobicContact CG2-CD1 4.5Å; I253-M328 HydrophobicContact CD1-CE 3.52Å; I253-M328 HydrophobicContact CG2-CE 4.28Å
254G86.8Confident83.8Confident10 Ų1043 Ų4310%0.10324%0.239CC..Hα-helixtrans-57.4-48.9173.200000112.5D250 S251 F252 C256 L257 Q258D250-G254 WeakPolarHBondContact O-CA 3.39Å; D250-G254 PolarHBondContact O-N 3.46Å; S251-G254 PolarHBondContact O-N 3.2Å; F252-G254 VanDerWaalsContact C-N 3.35Å; G254-C256 VanDerWaalsContact C-N 3.35Å; G254-C256 PolarHBondContact O-N 3.34Å; G254-L257 PolarHBondContact O-N 2.47Å; G254-Q258 WeakPolarHBondContact O-CG 3.23Å; G254-Q258 PolarHBondContact O-N 3.36Å
255A87Confident84.7Confident11 Ų1145.2 Ų45.29%0.09125%0.25CC..Hα-helixtrans-61-42.5175.600000111.8S251 F252 L257 Q258 Q259 D260 A264S251-A255 WeakPolarHBondContact O-CB 3.5Å; S251-A255 PolarHBondContact O-N 2.94Å; F252-A255 PolarHBondContact O-N 2.94Å; A255-L257 VanDerWaalsContact C-N 3.29Å; A255-L257 PolarHBondContact O-N 2.64Å; A255-Q258 PolarHBondContact O-N 2.84Å; A255-Q259 PolarHBondContact O-N 3.37Å; A255-D260 PolarHBondContact O-N 3.29Å; A255-A264 HydrophobicContact CB-CB 3.9Å
256C87.3Confident85.5Confident1 Ų148.6 Ų48.61%0.00726%0.262CS..Hα-helixtrans-60.5-36.2175.2-69.60000113.1F252 I253 G254 M328 V357F252-C256 PolarHBondContact O-N 3.4Å; F252-C256 PolarHBondContact O-SG 2.84Å; I253-C256 WeakPolarHBondContact O-CB 3.37Å; I253-C256 PolarHBondContact O-N 2.94Å; G254-C256 VanDerWaalsContact C-N 3.35Å; G254-C256 PolarHBondContact O-N 3.34Å; C256-M328 HydrophobicContact CB-CE 4.49Å; C256-V357 HydrophobicContact CB-CG2 4.43Å
257L85.3Confident86.3Confident43 Ų4348.5 Ų48.523%0.22526%0.262CS..Hα-helixtrans-79.5-33179.7-69.9168.1000112.8I253 G254 A255 Q259 L316 T320 R324 M328I253-L257 HydrophobicContact CG2-CD1 3.86Å; I253-L257 HydrophobicContact CG2-CG 4.39Å; I253-L257 VanDerWaalsContact O-CG 3.27Å; I253-L257 WeakPolarHBondContact O-CG 3.48Å; I253-L257 PolarHBondContact O-N 3.49Å; G254-L257 PolarHBondContact O-N 2.47Å; A255-L257 VanDerWaalsContact C-N 3.29Å; A255-L257 PolarHBondContact O-N 2.64Å; L257-Q259 PolarHBondContact O-N 3.18Å; L257-L316 HydrophobicContact CD1-CD2 3.69Å; L257-T320 HydrophobicContact CD1-CG2 4.39Å; L257-T320 WeakPolarHBondContact CD1-OG1 3.21Å; L257-T320 HydrophobicContact CD2-CG2 3.64Å; L257-R324 HydrophobicContact CD2-CG 4.09Å; L257-M328 HydrophobicContact CD2-SD 4.35Å
258Q85.5Confident86.9Confident154 Ų15442 Ų4272%0.7223%0.232SC*.THydrogen-bonded Turntrans-73.6-1.7175-70.1177.113.800113.5G254 A255 D260G254-Q258 WeakPolarHBondContact O-CG 3.23Å; G254-Q258 PolarHBondContact O-N 3.36Å; A255-Q258 PolarHBondContact O-N 2.84Å; Q258-D260 PolarHBondContact O-N 3.48Å
259Q84.2Confident87.4Confident111 Ų11147 Ų4752%0.51925%0.254SS..THydrogen-bonded Turntrans63.123.8-176.5-57.3-178.12.200113.5A255 L257 V261 V357A255-Q259 PolarHBondContact O-N 3.37Å; L257-Q259 PolarHBondContact O-N 3.18Å; Q259-V261 PolarHBondContact O-N 3.16Å; Q259-V357 VanDerWaalsContact CA-CG1 3.47Å; Q259-V357 HydrophobicContact CB-CG1 4.37Å
260D87.6Confident87.7Confident70 Ų7050.6 Ų50.637%0.37427%0.274SS..  trans-89.396.7177.3-176.36.1000110.4A255 Q258 S262 G263 A264A255-D260 PolarHBondContact O-N 3.29Å; Q258-D260 PolarHBondContact O-N 3.48Å; D260-S262 PolarHBondContact OD1-N 3.28Å; D260-G263 VanDerWaalsContact CG-N 3.34Å; D260-G263 PolarHBondContact OD1-N 2.55Å; D260-G263 WeakPolarHBondContact OD2-CA 3.5Å; D260-G263 PolarHBondContact OD2-N 2.84Å; D260-A264 VanDerWaalsContact O-CB 3.25Å; D260-A264 WeakPolarHBondContact O-CB 3.36Å; D260-A264 PolarHBondContact O-N 3.12Å; D260-A264 VanDerWaalsContact O-N 3.08Å
261V87.9Confident87.8Confident47 Ų4750.1 Ų50.129%0.28527%0.272SS..Hα-helixtrans-66.9-42.7-179.6-178.80000110.7Q259 A264 L265 V354 V357Q259-V261 PolarHBondContact O-N 3.16Å; V261-A264 PolarHBondContact O-N 3.17Å; V261-L265 HydrophobicContact CG1-CD1 3.97Å; V261-L265 HydrophobicContact CG1-CG 4.47Å; V261-L265 WeakPolarHBondContact O-CB 3.24Å; V261-L265 WeakPolarHBondContact O-CG 3.34Å; V261-L265 PolarHBondContact O-N 2.98Å; V261-V354 HydrophobicContact CG1-CG2 4.2Å; V261-V357 HydrophobicContact CB-CG1 4.32Å; V261-V357 HydrophobicContact CG2-CB 4.03Å; V261-V357 HydrophobicContact CG2-CG1 3.49Å; V261-V357 VanDerWaalsContact CG2-CG1 3.49Å
262S89.8Confident87.8Confident79 Ų7948.4 Ų48.455%0.55226%0.257SS*.Hα-helixtrans-67.1-50.1-177.1-60.60000110.2D260 A264 L265 E266D260-S262 PolarHBondContact OD1-N 3.28Å; S262-A264 VanDerWaalsContact C-N 3.32Å; S262-A264 PolarHBondContact O-N 3.4Å; S262-L265 PolarHBondContact O-N 3.48Å; S262-E266 WeakPolarHBondContact O-CG 3.3Å; S262-E266 PolarHBondContact O-N 3.01Å
263G88.8Confident87.7Confident12 Ų1252.3 Ų52.312%0.12429%0.29CS..Hα-helixtrans-60.3-39.5176.900000112.9D260 E266 V267D260-G263 VanDerWaalsContact CG-N 3.34Å; D260-G263 PolarHBondContact OD1-N 2.55Å; D260-G263 WeakPolarHBondContact OD2-CA 3.5Å; D260-G263 PolarHBondContact OD2-N 2.84Å; G263-E266 PolarHBondContact O-N 2.79Å; G263-V267 VanDerWaalsContact O-CG2 3.26Å; G263-V267 WeakPolarHBondContact O-CG2 3.32Å; G263-V267 PolarHBondContact O-N 3.18Å
264A89.3Confident87.4Confident0 Ų057.9 Ų57.90%032%0.316CS..Hα-helixtrans-66.5-37.6177.100000112.8A255 D260 V261 S262 L268 T353 V357A255-A264 HydrophobicContact CB-CB 3.9Å; D260-A264 VanDerWaalsContact O-CB 3.25Å; D260-A264 WeakPolarHBondContact O-CB 3.36Å; D260-A264 PolarHBondContact O-N 3.12Å; D260-A264 VanDerWaalsContact O-N 3.08Å; V261-A264 PolarHBondContact O-N 3.17Å; S262-A264 VanDerWaalsContact C-N 3.32Å; S262-A264 PolarHBondContact O-N 3.4Å; A264-L268 WeakPolarHBondContact O-CB 3.34Å; A264-L268 PolarHBondContact O-N 3.33Å; A264-T353 HydrophobicContact CB-CG2 3.64Å; A264-V357 HydrophobicContact CB-CG2 3.81Å
265L90.3Very high86.9Confident53 Ų5360.3 Ų60.328%0.27734%0.341SS..Hα-helixtrans-72.9-38176-72.8175.1000112.3V261 S262 L268 E269 E350 T353 V354V261-L265 HydrophobicContact CG1-CD1 3.97Å; V261-L265 HydrophobicContact CG1-CG 4.47Å; V261-L265 WeakPolarHBondContact O-CB 3.24Å; V261-L265 WeakPolarHBondContact O-CG 3.34Å; V261-L265 PolarHBondContact O-N 2.98Å; S262-L265 PolarHBondContact O-N 3.48Å; L265-L268 HydrophobicContact CD2-CD2 4.32Å; L265-L268 WeakPolarHBondContact O-CB 3.35Å; L265-L268 PolarHBondContact O-N 3.38Å; L265-E269 WeakPolarHBondContact O-CB 3.32Å; L265-E269 PolarHBondContact O-N 2.98Å; L265-E350 HydrophobicContact CD2-CB 4.29Å; L265-E350 HydrophobicContact CD2-CG 4.43Å; L265-T353 HydrophobicContact CD2-CG2 4.06Å; L265-T353 HydrophobicContact CG-CG2 4.46Å; L265-V354 HydrophobicContact CD1-CG2 4.33Å; L265-V354 HydrophobicContact CD2-CG2 4.5Å
266E91.4Very high86.6Confident120 Ų12060.9 Ų60.956%0.56134%0.341SS*.Hα-helixtrans-62.9-43.9174.2-75176.8-168.200111.4S262 G263 L268 E269 N270S262-E266 WeakPolarHBondContact O-CG 3.3Å; S262-E266 PolarHBondContact O-N 3.01Å; G263-E266 PolarHBondContact O-N 2.79Å; E266-L268 VanDerWaalsContact C-N 3.31Å; E266-L268 PolarHBondContact O-N 3.3Å; E266-E269 PolarHBondContact O-N 2.86Å; E266-N270 VanDerWaalsContact O-CG 3.28Å; E266-N270 PolarHBondContact O-N 3.26Å; E266-N270 PolarHBondContact O-ND2 2.8Å; E266-N270 VanDerWaalsContact O-ND2 3.11Å
267V89.1Confident86.3Confident34 Ų3467.4 Ų67.421%0.20637%0.371CS..Hα-helixtrans-61.7-42.5174.2172.90000110.6F252 G263 N270 I271F252-V267 HydrophobicContact CB-CG1 3.88Å; F252-V267 HydrophobicContact CD2-CB 4.47Å; F252-V267 HydrophobicContact CD2-CG1 4.13Å; G263-V267 VanDerWaalsContact O-CG2 3.26Å; G263-V267 WeakPolarHBondContact O-CG2 3.32Å; G263-V267 PolarHBondContact O-N 3.18Å; V267-N270 PolarHBondContact O-N 3.28Å; V267-I271 HydrophobicContact CG1-CD1 3.78Å; V267-I271 HydrophobicContact CG1-CG1 4.48Å; V267-I271 WeakPolarHBondContact O-CD1 3.38Å; V267-I271 WeakPolarHBondContact O-CG1 3.43Å; V267-I271 PolarHBondContact O-N 3.37Å
268L90Very high86.3Confident2 Ų265.6 Ų65.61%0.0136%0.363CS..Hα-helixtrans-60.7-45.6175.3175.362.7000111.9F252 A264 L265 E266 I271 L272 L281 L349 E350F252-L268 HydrophobicContact CE2-CB 4.11Å; A264-L268 WeakPolarHBondContact O-CB 3.34Å; A264-L268 PolarHBondContact O-N 3.33Å; L265-L268 HydrophobicContact CD2-CD2 4.32Å; L265-L268 WeakPolarHBondContact O-CB 3.35Å; L265-L268 PolarHBondContact O-N 3.38Å; E266-L268 VanDerWaalsContact C-N 3.31Å; E266-L268 PolarHBondContact O-N 3.3Å; L268-I271 PolarHBondContact O-N 3.12Å; L268-L272 HydrophobicContact CD1-CD1 3.97Å; L268-L272 HydrophobicContact CD1-CG 4.07Å; L268-L272 HydrophobicContact CG-CD1 3.95Å; L268-L272 HydrophobicContact CG-CG 4.43Å; L268-L272 VanDerWaalsContact O-CG 3.31Å; L268-L272 WeakPolarHBondContact O-CG 3.45Å; L268-L272 PolarHBondContact O-N 2.68Å; L268-L281 HydrophobicContact CD1-CD2 3.56Å; L268-L349 HydrophobicContact CD1-CD2 3.56Å; L268-L349 HydrophobicContact CD1-CG 3.89Å; L268-L349 HydrophobicContact CD2-CG 4.22Å; L268-E350 HydrophobicContact CD2-CB 4.4Å; L268-E350 HydrophobicContact CD2-CG 3.85Å
269E89.8Confident86.4Confident138 Ų13864 Ų6465%0.64535%0.35SS*.Hα-helixtrans-61.9-44.5179.4-174.3175-176.800111.2L265 E266 I271 L272 A273L265-E269 WeakPolarHBondContact O-CB 3.32Å; L265-E269 PolarHBondContact O-N 2.98Å; E266-E269 PolarHBondContact O-N 2.86Å; E269-I271 VanDerWaalsContact C-N 3.35Å; E269-I271 PolarHBondContact O-N 2.93Å; E269-L272 PolarHBondContact O-N 3.45Å; E269-A273 VanDerWaalsContact O-CB 3.28Å; E269-A273 WeakPolarHBondContact O-CB 3.34Å; E269-A273 PolarHBondContact O-N 3.5Å
270N87.7Confident86.2Confident98 Ų9860.9 Ų60.952%0.52433%0.333SS..Hα-helixtrans-60-44.6175.8-70.9-34.3000111.8E266 V267 L272 A273 E274E266-N270 VanDerWaalsContact O-CG 3.28Å; E266-N270 PolarHBondContact O-N 3.26Å; E266-N270 PolarHBondContact O-ND2 2.8Å; E266-N270 VanDerWaalsContact O-ND2 3.11Å; V267-N270 PolarHBondContact O-N 3.28Å; N270-L272 PolarHBondContact O-N 3.25Å; N270-A273 PolarHBondContact O-N 2.76Å; N270-E274 PolarHBondContact O-N 3.44Å; N270-E274 VanDerWaalsContact O-N 3.13Å
271I85.7Confident86.2Confident1 Ų157.7 Ų57.71%0.00532%0.316CS..Hα-helixtrans-61.8-43.7176.9-70.1166.3000111.2L244 M248 V267 L268 E269 E274 K276 L281L244-I271 HydrophobicContact CD2-CB 4.42Å; L244-I271 HydrophobicContact CD2-CD1 4.11Å; L244-I271 HydrophobicContact CD2-CG1 4.13Å; L244-I271 HydrophobicContact CD2-CG2 3.39Å; M248-I271 HydrophobicContact CB-CD1 4.38Å; M248-I271 HydrophobicContact CE-CG1 4.03Å; M248-I271 HydrophobicContact SD-CG1 4.08Å; V267-I271 HydrophobicContact CG1-CD1 3.78Å; V267-I271 HydrophobicContact CG1-CG1 4.48Å; V267-I271 WeakPolarHBondContact O-CD1 3.38Å; V267-I271 WeakPolarHBondContact O-CG1 3.43Å; V267-I271 PolarHBondContact O-N 3.37Å; L268-I271 PolarHBondContact O-N 3.12Å; E269-I271 VanDerWaalsContact C-N 3.35Å; E269-I271 PolarHBondContact O-N 2.93Å; I271-E274 PolarHBondContact O-N 3.37Å; I271-K276 HydrophobicContact CG2-CB 3.86Å; I271-K276 HydrophobicContact CG2-CG 4.02Å; I271-K276 WeakPolarHBondContact O-CB 3.16Å; I271-K276 VanDerWaalsContact O-CG 3.31Å; I271-K276 WeakPolarHBondContact O-CG 3.37Å; I271-L281 HydrophobicContact CG2-CD1 4.31Å; I271-L281 HydrophobicContact CG2-CD2 3.76Å
272L86Confident86.2Confident30 Ų3055.4 Ų55.416%0.15730%0.303CS..Hα-helixtrans-69-34.5178.3-68.9174000111.9L268 E269 N270 E274 G275 A278 L281 N346L268-L272 HydrophobicContact CD1-CD1 3.97Å; L268-L272 HydrophobicContact CD1-CG 4.07Å; L268-L272 HydrophobicContact CG-CD1 3.95Å; L268-L272 HydrophobicContact CG-CG 4.43Å; L268-L272 VanDerWaalsContact O-CG 3.31Å; L268-L272 WeakPolarHBondContact O-CG 3.45Å; L268-L272 PolarHBondContact O-N 2.68Å; E269-L272 PolarHBondContact O-N 3.45Å; N270-L272 PolarHBondContact O-N 3.25Å; L272-E274 VanDerWaalsContact C-N 3.28Å; L272-E274 PolarHBondContact O-N 3.28Å; L272-G275 PolarHBondContact O-N 2.87Å; L272-A278 HydrophobicContact CD2-CB 4.43Å; L272-L281 HydrophobicContact CD2-CD2 4.48Å; L272-N346 HydrophobicContact CD1-CB 4.16Å
273A85.2Confident86Confident84 Ų8454.7 Ų54.769%0.69429%0.291SS*.Hα-helixtrans-66.4-28.9176.800000112.7E269 N270 G275E269-A273 VanDerWaalsContact O-CB 3.28Å; E269-A273 WeakPolarHBondContact O-CB 3.34Å; E269-A273 PolarHBondContact O-N 3.5Å; N270-A273 PolarHBondContact O-N 2.76Å; A273-G275 PolarHBondContact O-N 3.41Å
274E81.1Confident85.8Confident117 Ų11755 Ų5555%0.54729%0.289SS..THydrogen-bonded Turntrans-71.41.2170.4-71.1-178.8-168.500113.7M248 N270 I271 L272 K276M248-E274 VanDerWaalsContact CE-CD 3.45Å; M248-E274 WeakPolarHBondContact CE-OE1 3.44Å; M248-E274 WeakPolarHBondContact CE-OE2 3.39Å; N270-E274 PolarHBondContact O-N 3.44Å; N270-E274 VanDerWaalsContact O-N 3.13Å; I271-E274 PolarHBondContact O-N 3.37Å; L272-E274 VanDerWaalsContact C-N 3.28Å; L272-E274 PolarHBondContact O-N 3.28Å; E274-K276 HydrophobicContact CB-CG 4.31Å
275G76.1Confident85.7Confident61 Ų6155 Ų5563%0.62929%0.29SS*.THydrogen-bonded Turntrans82.813.1177.800000114.2L272 A273L272-G275 PolarHBondContact O-N 2.87Å; A273-G275 PolarHBondContact O-N 3.41Å
276K79.8Confident85.6Confident24 Ų2454.3 Ų54.310%0.10429%0.286CS..  trans-70.8134.7177.6-55.7-75.9174.71740110.1L238 G242 S243 L244 I271 E274L238-K276 PolarHBondContact O-NZ 3.1Å; G242-K276 WeakPolarHBondContact O-CD 3.31Å; S243-K276 PolarHBondContact O-NZ 3.28Å; L244-K276 HydrophobicContact CD2-CG 4.47Å; I271-K276 HydrophobicContact CG2-CB 3.86Å; I271-K276 HydrophobicContact CG2-CG 4.02Å; I271-K276 WeakPolarHBondContact O-CB 3.16Å; I271-K276 VanDerWaalsContact O-CG 3.31Å; I271-K276 WeakPolarHBondContact O-CG 3.37Å; E274-K276 HydrophobicContact CB-CG 4.31Å
277E82.5Confident85.3Confident137 Ų13751.8 Ų51.864%0.6428%0.276SS*.  trans-78.3132.3-178.4-65-169.8173.100112.3R279 R280 L281E277-R279 PolarHBondContact O-N 3.28Å; E277-R279 VanDerWaalsContact O-N 3.11Å; E277-R280 HydrophobicContact CB-CB 4.41Å; E277-R280 PolarHBondContact O-N 3.29Å; E277-L281 PolarHBondContact O-N 3.06Å
278A85.6Confident85.1Confident5 Ų550.6 Ų50.64%0.04127%0.268CS..Hα-helixtrans-55.5-32.5179.100000114L272 T282 A345 L349L272-A278 HydrophobicContact CD2-CB 4.43Å; A278-T282 PolarHBondContact O-N 3.38Å; A278-T282 PolarHBondContact O-OG1 2.69Å; A278-A345 HydrophobicContact CB-CB 3.82Å; A278-L349 HydrophobicContact CB-CD2 3.86Å
279R85.7Confident85Confident120 Ų12050.5 Ų50.545%0.45327%0.267SS..Hα-helixtrans-62.8-49.2175-78.3178.5-178.3-1801.6111.5E277 T282 E283 I339 R340E277-R279 PolarHBondContact O-N 3.28Å; E277-R279 VanDerWaalsContact O-N 3.11Å; R279-T282 PolarHBondContact O-N 2.85Å; R279-E283 PolarHBondContact O-N 3.36Å; R279-I339 HydrophobicContact CB-CG2 4.5Å; R279-I339 HydrophobicContact CG-CG2 3.31Å; R279-I339 PolarHBondContact NH2-O 3.23Å; R279-I339 VanDerWaalsContact NH2-O 3.12Å; R279-R340 PolarHBondContact NH2-O 3.44Å
280R81.4Confident84.9Confident46 Ų4648 Ų4817%0.17425%0.252CS..Hα-helixtrans-66.7-42.7-178.9-171.558174-174.6-1.7111.5E211 E277 T282 E283 D284E211-R280 IonicContact OE1-NH1 2.64Å; E277-R280 HydrophobicContact CB-CB 4.41Å; E277-R280 PolarHBondContact O-N 3.29Å; R280-T282 VanDerWaalsContact C-N 3.32Å; R280-T282 PolarHBondContact O-N 3.29Å; R280-E283 IonicContact NH1-OE2 3.65Å; R280-E283 PolarHBondContact NH1-OE2 3.09Å; R280-E283 WeakPolarHBondContact O-CB 3.33Å; R280-E283 PolarHBondContact O-N 2.74Å; R280-E283 VanDerWaalsContact O-N 3.15Å; R280-D284 IonicContact NE-OD1 3.52Å; R280-D284 PolarHBondContact O-N 3Å
281L86.9Confident84.7Confident3 Ų343.6 Ų43.62%0.01623%0.228CC..Hα-helixtrans-56.6-44.1174.3173.953.4000112L244 L268 I271 L272 E277 E283 D284 L285 L349L244-L281 HydrophobicContact CD1-CD1 3.2Å; L244-L281 HydrophobicContact CD1-CG 4.46Å; L244-L281 HydrophobicContact CD2-CD1 4.11Å; L244-L281 HydrophobicContact CG-CD1 4.18Å; L268-L281 HydrophobicContact CD1-CD2 3.56Å; I271-L281 HydrophobicContact CG2-CD1 4.31Å; I271-L281 HydrophobicContact CG2-CD2 3.76Å; L272-L281 HydrophobicContact CD2-CD2 4.48Å; E277-L281 PolarHBondContact O-N 3.06Å; L281-E283 PolarHBondContact O-N 2.85Å; L281-D284 PolarHBondContact O-N 3.26Å; L281-L285 HydrophobicContact CD1-CD1 3.74Å; L281-L285 HydrophobicContact CD1-CG 3.96Å; L281-L285 HydrophobicContact CG-CD1 4.13Å; L281-L285 WeakPolarHBondContact O-CB 3.36Å; L281-L285 WeakPolarHBondContact O-CG 3.44Å; L281-L285 PolarHBondContact O-N 2.86Å; L281-L349 HydrophobicContact CB-CD2 4.37Å; L281-L349 HydrophobicContact CD2-CD2 3.4Å; L281-L349 VanDerWaalsContact CD2-CD2 3.4Å; L281-L349 HydrophobicContact CG-CD2 3.83Å
282T88.8Confident84.7Confident0 Ų043.5 Ų43.50%023%0.228CC..Hα-helixtrans-64-39.9177.2-52.60000112.1A278 R279 R280 L286 L332 Q336 I339A278-T282 PolarHBondContact O-N 3.38Å; A278-T282 PolarHBondContact O-OG1 2.69Å; R279-T282 PolarHBondContact O-N 2.85Å; R280-T282 VanDerWaalsContact C-N 3.32Å; R280-T282 PolarHBondContact O-N 3.29Å; T282-L286 WeakPolarHBondContact O-CB 3.12Å; T282-L286 PolarHBondContact O-N 3.31Å; T282-L286 VanDerWaalsContact O-N 3.07Å; T282-L332 HydrophobicContact CG2-CD2 4.34Å; T282-L332 WeakPolarHBondContact CG2-O 2.87Å; T282-Q336 HydrophobicContact CG2-CB 3.9Å; T282-Q336 HydrophobicContact CG2-CG 4.48Å; T282-I339 WeakPolarHBondContact OG1-CD1 3.38Å
283E85Confident84.7Confident63 Ų6343.1 Ų43.129%0.29423%0.226SC..Hα-helixtrans-64.8-48.3176.2-76.7169.8-173.800112.3R279 R280 L281 L285 L286 L287R279-E283 PolarHBondContact O-N 3.36Å; R280-E283 IonicContact NH1-OE2 3.65Å; R280-E283 PolarHBondContact NH1-OE2 3.09Å; R280-E283 WeakPolarHBondContact O-CB 3.33Å; R280-E283 PolarHBondContact O-N 2.74Å; R280-E283 VanDerWaalsContact O-N 3.15Å; L281-E283 PolarHBondContact O-N 2.85Å; E283-L285 PolarHBondContact O-N 3.39Å; E283-L286 PolarHBondContact O-N 2.97Å; E283-L287 WeakPolarHBondContact O-CG 3.33Å; E283-L287 PolarHBondContact O-N 3.49Å
284D84.1Confident84.7Confident18 Ų1841.7 Ų41.710%0.09621%0.206CC..Hα-helixtrans-61.9-44.1179.7-74.3-13.9000110.8L244 M249 R280 L281 L286 L287 Y288L244-D284 HydrophobicContact CD1-CB 4.09Å; M249-D284 HydrophobicContact SD-CB 4.26Å; R280-D284 IonicContact NE-OD1 3.52Å; R280-D284 PolarHBondContact O-N 3Å; L281-D284 PolarHBondContact O-N 3.26Å; D284-L286 VanDerWaalsContact C-N 3.35Å; D284-L286 PolarHBondContact O-N 3.46Å; D284-L287 PolarHBondContact O-N 3.36Å; D284-Y288 VanDerWaalsContact O-CB 3.23Å; D284-Y288 WeakPolarHBondContact O-CB 3.06Å; D284-Y288 PolarHBondContact O-N 3.15Å
285L87.9Confident84.8Confident1 Ų138.8 Ų38.81%0.00519%0.19CC..Hα-helixtrans-62.7-38.9175.5-70.8172.1000112.5F252 I253 L281 E283 Y288 C289 L332F252-L285 HydrophobicContact CD1-CD1 3.97Å; F252-L285 HydrophobicContact CD1-CD2 3.53Å; F252-L285 HydrophobicContact CD1-CG 4.42Å; F252-L285 HydrophobicContact CE1-CD1 3.56Å; F252-L285 HydrophobicContact CE1-CD2 3.96Å; F252-L285 HydrophobicContact CE1-CG 4.43Å; F252-L285 HydrophobicContact CG-CD2 4.44Å; F252-L285 HydrophobicContact CZ-CD1 4.24Å; I253-L285 HydrophobicContact CD1-CD2 4.09Å; I253-L285 HydrophobicContact CG1-CD2 4.26Å; L281-L285 HydrophobicContact CD1-CD1 3.74Å; L281-L285 HydrophobicContact CD1-CG 3.96Å; L281-L285 HydrophobicContact CG-CD1 4.13Å; L281-L285 WeakPolarHBondContact O-CB 3.36Å; L281-L285 WeakPolarHBondContact O-CG 3.44Å; L281-L285 PolarHBondContact O-N 2.86Å; E283-L285 PolarHBondContact O-N 3.39Å; L285-Y288 PolarHBondContact O-N 2.98Å; L285-C289 WeakPolarHBondContact O-CB 3.3Å; L285-C289 PolarHBondContact O-N 3.15Å; L285-C289 PolarHBondContact O-SG 3.16Å; L285-L332 HydrophobicContact CB-CD1 3.94Å; L285-L332 HydrophobicContact CB-CD2 4.1Å; L285-L332 HydrophobicContact CD1-CD2 4.25Å
286L88.9Confident85.1Confident39 Ų3938.4 Ų38.420%0.20417%0.172CC..Hα-helixtrans-67.2-43.7177.8-172.2150.5000111.1T282 E283 D284 Y288 C289 R290 L332T282-L286 WeakPolarHBondContact O-CB 3.12Å; T282-L286 PolarHBondContact O-N 3.31Å; T282-L286 VanDerWaalsContact O-N 3.07Å; E283-L286 PolarHBondContact O-N 2.97Å; D284-L286 VanDerWaalsContact C-N 3.35Å; D284-L286 PolarHBondContact O-N 3.46Å; L286-Y288 VanDerWaalsContact C-N 3.33Å; L286-C289 PolarHBondContact O-N 2.99Å; L286-R290 WeakPolarHBondContact O-CB 3.32Å; L286-R290 PolarHBondContact O-N 2.98Å; L286-L332 HydrophobicContact CB-CB 4.42Å; L286-L332 HydrophobicContact CD1-CB 4.37Å
287L83.9Confident85.2Confident66 Ų6643.7 Ų43.735%0.34620%0.197SC..Hα-helixtrans-63.1-40.9174.8-71.6174.4000111.7E283 D284 R290 D291E283-L287 WeakPolarHBondContact O-CG 3.33Å; E283-L287 PolarHBondContact O-N 3.49Å; D284-L287 PolarHBondContact O-N 3.36Å; L287-R290 WeakPolarHBondContact O-CB 3.31Å; L287-R290 PolarHBondContact O-N 2.93Å; L287-D291 WeakPolarHBondContact O-CB 3.26Å; L287-D291 PolarHBondContact O-N 3.44Å
288Y85.8Confident85.2Confident10 Ų1038.7 Ų38.74%0.03918%0.18CC..Hα-helixtrans-64.4-47177.1-175.1-84.3000111.6T246 M249 D250 I253 D284 L285 L286 R290 D291 L292 F313 L316T246-Y288 HydrophobicContact CG2-CE2 4.37Å; M249-Y288 HydrophobicContact CB-CD2 3.9Å; M249-Y288 HydrophobicContact CB-CE2 3.96Å; M249-Y288 HydrophobicContact CB-CG 4.32Å; M249-Y288 HydrophobicContact CE-CD2 4.06Å; M249-Y288 HydrophobicContact CG-CD2 4.49Å; M249-Y288 HydrophobicContact SD-CD2 3.85Å; M249-Y288 HydrophobicContact SD-CG 4.24Å; D250-Y288 WeakPolarHBondContact OD1-CE2 3.26Å; D250-Y288 VanDerWaalsContact OD1-CZ 3.26Å; D250-Y288 PolarHBondContact OD1-OH 3.3Å; I253-Y288 HydrophobicContact CB-CE1 4.24Å; I253-Y288 HydrophobicContact CG1-CD1 3.89Å; I253-Y288 HydrophobicContact CG1-CE1 3.85Å; I253-Y288 HydrophobicContact CG2-CE1 4.32Å; D284-Y288 VanDerWaalsContact O-CB 3.23Å; D284-Y288 WeakPolarHBondContact O-CB 3.06Å; D284-Y288 PolarHBondContact O-N 3.15Å; L285-Y288 PolarHBondContact O-N 2.98Å; L286-Y288 VanDerWaalsContact C-N 3.33Å; Y288-R290 VanDerWaalsContact C-N 3.31Å; Y288-R290 PolarHBondContact O-N 3.21Å; Y288-D291 PolarHBondContact O-N 2.99Å; Y288-D291 VanDerWaalsContact O-N 3.1Å; Y288-L292 HydrophobicContact CD1-CD1 4.01Å; Y288-L292 HydrophobicContact CD1-CG 4.25Å; Y288-L292 HydrophobicContact CE1-CD1 3.57Å; Y288-L292 HydrophobicContact CE1-CD2 4.3Å; Y288-L292 HydrophobicContact CE1-CG 3.88Å; Y288-L292 PolarHBondContact O-N 3.26Å; Y288-F313 HydrophobicContact CD2-CD2 4.31Å; Y288-F313 HydrophobicContact CD2-CE2 4.23Å; Y288-F313 HydrophobicContact CE1-CD2 4.36Å; Y288-F313 HydrophobicContact CE1-CE2 4.43Å; Y288-F313 AromaticContact CE2-CD2 3.5Å; Y288-F313 HydrophobicContact CE2-CD2 3.5Å; Y288-F313 VanDerWaalsContact CE2-CD2 3.5Å; Y288-F313 AromaticContact CE2-CE2 3.85Å; Y288-F313 HydrophobicContact CE2-CE2 3.85Å; Y288-F313 AromaticContact CZ-CD2 3.49Å; Y288-F313 VanDerWaalsContact CZ-CD2 3.49Å; Y288-F313 AromaticContact CZ-CE2 3.92Å; Y288-F313 WeakPolarHBondContact OH-CD2 3.46Å; Y288-L316 WeakPolarHBondContact OH-CD1 3.11Å
289C87Confident84.6Confident0 Ų041 Ų410%019%0.194CC..Hα-helixtrans-61.1-39.2175.1-68.70000112.3L285 L286 D291 L292 L293 I329L285-C289 WeakPolarHBondContact O-CB 3.3Å; L285-C289 PolarHBondContact O-N 3.15Å; L285-C289 PolarHBondContact O-SG 3.16Å; L286-C289 PolarHBondContact O-N 2.99Å; C289-D291 VanDerWaalsContact C-N 3.35Å; C289-L292 PolarHBondContact O-N 2.99Å; C289-L293 PolarHBondContact O-N 2.81Å; C289-L293 VanDerWaalsContact O-N 3.12Å; C289-I329 HydrophobicContact CB-CD1 4.35Å; C289-I329 HydrophobicContact CB-CG1 3.73Å
290R87.2Confident84Confident84 Ų8443.2 Ų43.232%0.31721%0.207SC..Hα-helixtrans-60.8-45.4172.8-177.4-152.874.1-164.2-0.4110.9L286 L287 Y288 L293 I294L286-R290 WeakPolarHBondContact O-CB 3.32Å; L286-R290 PolarHBondContact O-N 2.98Å; L287-R290 WeakPolarHBondContact O-CB 3.31Å; L287-R290 PolarHBondContact O-N 2.93Å; Y288-R290 VanDerWaalsContact C-N 3.31Å; Y288-R290 PolarHBondContact O-N 3.21Å; R290-L293 WeakPolarHBondContact O-CB 3.31Å; R290-L293 PolarHBondContact O-N 3.27Å; R290-I294 HydrophobicContact CG-CD1 3.77Å; R290-I294 HydrophobicContact CG-CG1 4.34Å; R290-I294 WeakPolarHBondContact O-CG1 3.47Å; R290-I294 PolarHBondContact O-N 3.19Å
291D84.5Confident83.5Confident6 Ų646.6 Ų46.63%0.03223%0.228CC..Hα-helixtrans-65.9-38.2-178.8-75.8-0.2000111.5L287 Y288 C289 L293 I294 Y295 L302 Y308 F313L287-D291 WeakPolarHBondContact O-CB 3.26Å; L287-D291 PolarHBondContact O-N 3.44Å; Y288-D291 PolarHBondContact O-N 2.99Å; Y288-D291 VanDerWaalsContact O-N 3.1Å; C289-D291 VanDerWaalsContact C-N 3.35Å; D291-L293 VanDerWaalsContact C-N 3.34Å; D291-L293 PolarHBondContact O-N 3.3Å; D291-I294 PolarHBondContact O-N 2.87Å; D291-Y295 WeakPolarHBondContact O-CB 3.1Å; D291-Y295 PolarHBondContact O-N 3.47Å; D291-L302 HydrophobicContact CB-CD1 4.44Å; D291-L302 HydrophobicContact CB-CD2 4.28Å; D291-L302 WeakPolarHBondContact O-CD1 3.31Å; D291-Y308 HydrophobicContact CB-CE2 4.46Å; D291-Y308 WeakPolarHBondContact OD2-CE2 3.45Å; D291-Y308 PolarHBondContact OD2-OH 3.14Å; D291-F313 HydrophobicContact CB-CE2 4.26Å; D291-F313 HydrophobicContact CB-CZ 3.91Å
292L85.4Confident82.5Confident0 Ų046.5 Ų46.50%023%0.227CC..Hα-helixtrans-57.7-46.5170.6-71.9176.9000111.6I253 Y288 C289 Y295 Q296 F313 L316 A317 L325I253-L292 HydrophobicContact CG2-CD1 4.31Å; Y288-L292 HydrophobicContact CD1-CD1 4.01Å; Y288-L292 HydrophobicContact CD1-CG 4.25Å; Y288-L292 HydrophobicContact CE1-CD1 3.57Å; Y288-L292 HydrophobicContact CE1-CD2 4.3Å; Y288-L292 HydrophobicContact CE1-CG 3.88Å; Y288-L292 PolarHBondContact O-N 3.26Å; C289-L292 PolarHBondContact O-N 2.99Å; L292-Y295 PolarHBondContact O-N 3.46Å; L292-Q296 WeakPolarHBondContact O-CG 3.44Å; L292-Q296 PolarHBondContact O-N 2.88Å; L292-Q296 VanDerWaalsContact O-N 3.1Å; L292-F313 HydrophobicContact CD2-CD1 4.18Å; L292-F313 HydrophobicContact CD2-CD2 3.74Å; L292-F313 HydrophobicContact CD2-CE1 3.99Å; L292-F313 HydrophobicContact CD2-CE2 3.52Å; L292-F313 HydrophobicContact CD2-CG 4.06Å; L292-F313 HydrophobicContact CD2-CZ 3.66Å; L292-F313 HydrophobicContact CG-CD2 4.43Å; L292-F313 HydrophobicContact CG-CE2 3.85Å; L292-F313 HydrophobicContact CG-CZ 4.08Å; L292-L316 HydrophobicContact CD2-CB 4.12Å; L292-A317 HydrophobicContact CD2-CB 3.79Å; L292-L325 HydrophobicContact CB-CD1 4.03Å; L292-L325 HydrophobicContact CB-CD2 4.13Å; L292-L325 HydrophobicContact CD1-CD2 3.98Å
293L86Confident81.2Confident22 Ų2252.2 Ų52.212%0.11525%0.254CS..Hα-helixtrans-64.5-42.5179.6-172.274.1000111.9C289 R290 D291 Y295 Q296 Q297 L325 Y326 I329C289-L293 PolarHBondContact O-N 2.81Å; C289-L293 VanDerWaalsContact O-N 3.12Å; R290-L293 WeakPolarHBondContact O-CB 3.31Å; R290-L293 PolarHBondContact O-N 3.27Å; D291-L293 VanDerWaalsContact C-N 3.34Å; D291-L293 PolarHBondContact O-N 3.3Å; L293-Y295 VanDerWaalsContact C-N 3.33Å; L293-Q296 PolarHBondContact O-N 3.5Å; L293-Q297 WeakPolarHBondContact O-CG 3.28Å; L293-Q297 PolarHBondContact O-N 3.25Å; L293-L325 HydrophobicContact CB-CD1 4.03Å; L293-L325 HydrophobicContact CD1-CB 4.14Å; L293-L325 HydrophobicContact CD1-CD1 4.01Å; L293-Y326 HydrophobicContact CD1-CE2 4.25Å; L293-Y326 HydrophobicContact CD2-CD1 4.33Å; L293-Y326 HydrophobicContact CD2-CE1 3.74Å; L293-I329 HydrophobicContact CD2-CD1 4.28Å
294I84.5Confident79.8Confident53 Ų5353.4 Ų53.427%0.27227%0.269SS..Hα-helixtrans-66-38.8176.7-67.8171.9000110.3R290 D291 Q296 Q297 A298 L301 L302R290-I294 HydrophobicContact CG-CD1 3.77Å; R290-I294 HydrophobicContact CG-CG1 4.34Å; R290-I294 WeakPolarHBondContact O-CG1 3.47Å; R290-I294 PolarHBondContact O-N 3.19Å; D291-I294 PolarHBondContact O-N 2.87Å; I294-Q296 VanDerWaalsContact C-N 3.32Å; I294-Q296 PolarHBondContact O-N 3.19Å; I294-Q297 PolarHBondContact O-N 3.43Å; I294-A298 CarbonylContact O-C 3.59Å; I294-A298 VanDerWaalsContact O-C 3.31Å; I294-A298 WeakPolarHBondContact O-CA 3.47Å; I294-A298 PolarHBondContact O-N 3.18Å; I294-L301 HydrophobicContact CG2-CB 4.21Å; I294-L301 HydrophobicContact CG2-CD1 4.46Å; I294-L302 HydrophobicContact CB-CD1 4.03Å; I294-L302 HydrophobicContact CG2-CD1 3.87Å; I294-L302 HydrophobicContact CG2-CG 3.99Å
295Y84.1Confident78.5Confident56 Ų5658.8 Ų58.822%0.2229%0.288CS..Hα-helixtrans-63-38.8178.2-170.7-99.9000112.1D291 L292 L293 Q297 P299 L302 L309 F313 K314 A317D291-Y295 WeakPolarHBondContact O-CB 3.1Å; D291-Y295 PolarHBondContact O-N 3.47Å; L292-Y295 PolarHBondContact O-N 3.46Å; L293-Y295 VanDerWaalsContact C-N 3.33Å; Y295-Q297 PolarHBondContact O-N 3.19Å; Y295-P299 HydrophobicContact CD2-CB 4.18Å; Y295-P299 HydrophobicContact CE2-CB 4.05Å; Y295-P299 WeakPolarHBondContact O-CD 3.33Å; Y295-L302 HydrophobicContact CD2-CB 4.47Å; Y295-L302 HydrophobicContact CD2-CD1 4.14Å; Y295-L302 HydrophobicContact CG-CD1 4.38Å; Y295-L309 HydrophobicContact CD2-CD2 4.1Å; Y295-L309 HydrophobicContact CE2-CD1 4.38Å; Y295-L309 HydrophobicContact CE2-CD2 4.22Å; Y295-F313 HydrophobicContact CD2-CE1 4.33Å; Y295-F313 HydrophobicContact CG-CE1 4.02Å; Y295-K314 HydrophobicContact CE1-CB 4.49Å; Y295-K314 HydrophobicContact CE1-CG 4.3Å; Y295-A317 HydrophobicContact CD1-CB 3.53Å; Y295-A317 HydrophobicContact CE1-CB 4.23Å; Y295-A317 HydrophobicContact CG-CB 4.38Å
296Q82.7Confident76.8Confident53 Ų5361.3 Ų61.325%0.24831%0.309CS..Hα-helixtrans-62.7-39.9175.1-72178-5.300113L292 L293 I294 A317 T320 S322L292-Q296 WeakPolarHBondContact O-CG 3.44Å; L292-Q296 PolarHBondContact O-N 2.88Å; L292-Q296 VanDerWaalsContact O-N 3.1Å; L293-Q296 PolarHBondContact O-N 3.5Å; I294-Q296 VanDerWaalsContact C-N 3.32Å; I294-Q296 PolarHBondContact O-N 3.19Å; Q296-A317 HydrophobicContact CG-CB 4.42Å; Q296-A317 VanDerWaalsContact CG-O 3.27Å; Q296-A317 WeakPolarHBondContact CG-O 3.38Å; Q296-A317 PolarHBondContact NE2-O 2.97Å; Q296-T320 PolarHBondContact NE2-O 2.8Å; Q296-S322 PolarHBondContact OE1-OG 3.21Å
297Q82.5Confident75.2Confident136 Ų13662.6 Ų62.664%0.63633%0.326SS*.Hα-helixtrans-92.6-34.1-172.3-64.1-66.4-23.900113.3L293 I294 Y295L293-Q297 WeakPolarHBondContact O-CG 3.28Å; L293-Q297 PolarHBondContact O-N 3.25Å; I294-Q297 PolarHBondContact O-N 3.43Å; Y295-Q297 PolarHBondContact O-N 3.19Å
298A80.6Confident73.9Confident32 Ų3260.5 Ų60.526%0.26431%0.313SS..  trans-151.971-172.100000111.1I294 K300 L301I294-A298 CarbonylContact O-C 3.59Å; I294-A298 VanDerWaalsContact O-C 3.31Å; I294-A298 WeakPolarHBondContact O-CA 3.47Å; I294-A298 PolarHBondContact O-N 3.18Å; A298-K300 PolarHBondContact O-N 3.45Å; A298-K300 VanDerWaalsContact O-N 3.14Å; A298-L301 HydrophobicContact CB-CB 4.46Å; A298-L301 HydrophobicContact CB-CD1 3.66Å; A298-L301 HydrophobicContact CB-CG 3.89Å; A298-L301 WeakPolarHBondContact O-CB 3.23Å; A298-L301 PolarHBondContact O-N 3.21Å
299P74.1Confident72.7Confident53 Ų5361.7 Ų61.734%0.34432%0.32SS..Hα-helixtrans-56.9-34.9-175.620.4-31.8000112.9Y295 L301 L302 E303Y295-P299 HydrophobicContact CD2-CB 4.18Å; Y295-P299 HydrophobicContact CE2-CB 4.05Å; Y295-P299 WeakPolarHBondContact O-CD 3.33Å; P299-L301 PolarHBondContact O-N 2.69Å; P299-L301 VanDerWaalsContact O-N 3.15Å; P299-L302 PolarHBondContact O-N 3.24Å; P299-E303 PolarHBondContact O-N 2.92Å
300K73.5Confident71.8Confident167 Ų16763.5 Ų63.573%0.72633%0.331SS*.Hα-helixtrans-58.3-26.7176.8-66.6-173.5178-177.30114.2A298 L302A298-K300 PolarHBondContact O-N 3.45Å; A298-K300 VanDerWaalsContact O-N 3.14Å; K300-L302 VanDerWaalsContact C-N 3.3Å
301L69.4Low71.1Confident116 Ų11665.3 Ų65.361%0.60734%0.343SS*.Hα-helixtrans-71.1-29.1178.5-67-179000112I294 A298 P299 S304I294-L301 HydrophobicContact CG2-CB 4.21Å; I294-L301 HydrophobicContact CG2-CD1 4.46Å; A298-L301 HydrophobicContact CB-CB 4.46Å; A298-L301 HydrophobicContact CB-CD1 3.66Å; A298-L301 HydrophobicContact CB-CG 3.89Å; A298-L301 WeakPolarHBondContact O-CB 3.23Å; A298-L301 PolarHBondContact O-N 3.21Å; P299-L301 PolarHBondContact O-N 2.69Å; P299-L301 VanDerWaalsContact O-N 3.15Å; L301-S304 PolarHBondContact O-OG 2.96Å; L301-S304 VanDerWaalsContact O-OG 3.07Å
302L67.2Low70.7Confident2 Ų268 Ų681%0.0136%0.36CS..Hα-helixtrans-92.7-17.8-180-74.6163.6000113.4D291 I294 Y295 P299 K300 S304 R305 A306 Y308D291-L302 HydrophobicContact CB-CD1 4.44Å; D291-L302 HydrophobicContact CB-CD2 4.28Å; D291-L302 WeakPolarHBondContact O-CD1 3.31Å; I294-L302 HydrophobicContact CB-CD1 4.03Å; I294-L302 HydrophobicContact CG2-CD1 3.87Å; I294-L302 HydrophobicContact CG2-CG 3.99Å; Y295-L302 HydrophobicContact CD2-CB 4.47Å; Y295-L302 HydrophobicContact CD2-CD1 4.14Å; Y295-L302 HydrophobicContact CG-CD1 4.38Å; P299-L302 PolarHBondContact O-N 3.24Å; K300-L302 VanDerWaalsContact C-N 3.3Å; L302-S304 PolarHBondContact O-N 3.39Å; L302-R305 CarbonylContact O-C 3.47Å; L302-R305 WeakPolarHBondContact O-CA 3.35Å; L302-R305 PolarHBondContact O-N 3.45Å; L302-A306 PolarHBondContact O-N 2.87Å; L302-Y308 WeakPolarHBondContact CD2-OH 3.41Å
303E60.4Low70.4Confident119 Ų11968 Ų6856%0.55636%0.36SS*.Hα-helixtrans-56.3-32.9172.3-73.8172.3-172.200112.1P299 R305 A306P299-E303 PolarHBondContact O-N 2.92Å; E303-R305 PolarHBondContact O-N 3.39Å; E303-A306 WeakPolarHBondContact O-CB 3.48Å; E303-A306 PolarHBondContact O-N 2.87Å
304S55.6Low70.1Confident88 Ų8870.4 Ų70.462%0.61537%0.37SS*.THydrogen-bonded Turntrans-70.2-15.7173.768.60000114.3L301 L302L301-S304 PolarHBondContact O-OG 2.96Å; L301-S304 VanDerWaalsContact O-OG 3.07Å; L302-S304 PolarHBondContact O-N 3.39Å
305R57.7Low70.1Confident131 Ų13174 Ų7449%0.49439%0.385SS..THydrogen-bonded Turntrans-110.513-179.8-61.8-173.3174.2177-0.7112.1L302 E303 A307 Y308L302-R305 CarbonylContact O-C 3.47Å; L302-R305 WeakPolarHBondContact O-CA 3.35Å; L302-R305 PolarHBondContact O-N 3.45Å; E303-R305 PolarHBondContact O-N 3.39Å; R305-A307 PolarHBondContact O-N 3.5Å; R305-Y308 HydrophobicContact CB-CE1 3.79Å; R305-Y308 WeakPolarHBondContact O-CD1 3.5Å; R305-Y308 WeakPolarHBondContact O-CE1 3.36Å
306A52.2Low69.9Low54 Ų5472.3 Ų72.345%0.44638%0.38SS..G310 helixtrans-57.4-0.4-159.500000119.6L302 E303 Y308 L309L302-A306 PolarHBondContact O-N 2.87Å; E303-A306 WeakPolarHBondContact O-CB 3.48Å; E303-A306 PolarHBondContact O-N 2.87Å; A306-Y308 PolarHBondContact O-N 3.32Å; A306-L309 HydrophobicContact CB-CD1 4.18Å; A306-L309 PolarHBondContact O-N 3.45Å
307A54.5Low69.8Low67 Ų6770 Ų7055%0.55437%0.37SS*.G310 helixtrans-64.5-10.8-176.300000114.8R305R305-A307 PolarHBondContact O-N 3.5Å
308Y57.3Low69.8Low21 Ų2167 Ų678%0.08238%0.375CS..G310 helixtrans-124.510-17558.7-85.4000114.9D291 L302 R305 A306 T310D291-Y308 HydrophobicContact CB-CE2 4.46Å; D291-Y308 WeakPolarHBondContact OD2-CE2 3.45Å; D291-Y308 PolarHBondContact OD2-OH 3.14Å; L302-Y308 WeakPolarHBondContact CD2-OH 3.41Å; R305-Y308 HydrophobicContact CB-CE1 3.79Å; R305-Y308 WeakPolarHBondContact O-CD1 3.5Å; R305-Y308 WeakPolarHBondContact O-CE1 3.36Å; A306-Y308 PolarHBondContact O-N 3.32Å; Y308-T310 VanDerWaalsContact C-N 3.31Å; Y308-T310 PolarHBondContact O-N 3.43Å
309L61.5Low69.9Low35 Ų3569.5 Ų69.518%0.18339%0.391CS..  trans-8079.5178.6-66.3170.8000110.3Y295 A306 F313Y295-L309 HydrophobicContact CD2-CD2 4.1Å; Y295-L309 HydrophobicContact CE2-CD1 4.38Å; Y295-L309 HydrophobicContact CE2-CD2 4.22Å; A306-L309 HydrophobicContact CB-CD1 4.18Å; A306-L309 PolarHBondContact O-N 3.45Å; L309-F313 HydrophobicContact CD2-CD1 3.49Å; L309-F313 VanDerWaalsContact CD2-CD1 3.49Å; L309-F313 HydrophobicContact CD2-CE1 3.44Å; L309-F313 VanDerWaalsContact CD2-CE1 3.44Å; L309-F313 HydrophobicContact CD2-CG 4.37Å; L309-F313 HydrophobicContact CD2-CZ 4.28Å
310T67.6Low70.4Confident38 Ų3867.3 Ų67.323%0.23338%0.376CS..  trans-62.6154.9170.450.80000110.6T246 D250 Y308 T312 F313 K314T246-T310 HydrophobicContact CG2-CG2 3.8Å; D250-T310 PolarHBondContact OD2-OG1 3.14Å; Y308-T310 VanDerWaalsContact C-N 3.31Å; Y308-T310 PolarHBondContact O-N 3.43Å; T310-T312 VanDerWaalsContact CB-OG1 3.24Å; T310-T312 WeakPolarHBondContact CB-OG1 3.49Å; T310-T312 PolarHBondContact O-N 2.98Å; T310-T312 PolarHBondContact OG1-OG1 3.24Å; T310-F313 WeakPolarHBondContact O-CB 3.3Å; T310-F313 PolarHBondContact O-N 3.05Å; T310-F313 VanDerWaalsContact O-N 3.12Å; T310-F313 VanDerWaalsContact OG1-CB 3.3Å; T310-F313 WeakPolarHBondContact OG1-CB 3.45Å; T310-F313 PolarHBondContact OG1-N 3.07Å; T310-F313 VanDerWaalsContact OG1-N 3.16Å; T310-K314 PolarHBondContact O-N 3Å
311E72Confident71Confident122 Ų12263.4 Ų63.457%0.5737%0.368SS*.Hα-helixtrans-61.5-34.1174.3-75.1-60130.900111.3K314 Q315E311-K314 PolarHBondContact O-N 3.46Å; E311-K314 IonicContact OE1-NZ 3.34Å; E311-K314 PolarHBondContact OE1-NZ 3.32Å; E311-Q315 VanDerWaalsContact O-CG 3.32Å; E311-Q315 WeakPolarHBondContact O-CG 3.34Å; E311-Q315 PolarHBondContact O-N 3.29Å
312T76.2Confident71.8Confident63 Ų6359.5 Ų59.539%0.38735%0.35SS..Hα-helixtrans-59.2-45.5169.936.20000112.1D250 T310 K314 Q315 L316D250-T312 WeakPolarHBondContact OD2-CB 3.44Å; D250-T312 PolarHBondContact OD2-OG1 3.19Å; T310-T312 VanDerWaalsContact CB-OG1 3.24Å; T310-T312 WeakPolarHBondContact CB-OG1 3.49Å; T310-T312 PolarHBondContact O-N 2.98Å; T310-T312 PolarHBondContact OG1-OG1 3.24Å; T312-K314 VanDerWaalsContact C-N 3.32Å; T312-K314 PolarHBondContact O-N 3.22Å; T312-Q315 WeakPolarHBondContact O-CB 3.47Å; T312-Q315 PolarHBondContact O-N 3.23Å; T312-Q315 VanDerWaalsContact O-N 3.17Å; T312-L316 WeakPolarHBondContact O-CB 3.45Å; T312-L316 VanDerWaalsContact O-CG 3.29Å; T312-L316 WeakPolarHBondContact O-CG 3.38Å; T312-L316 PolarHBondContact O-N 3.16Å
313F79.9Confident72.7Confident0 Ų065.4 Ų65.40%038%0.382CS..Hα-helixtrans-56.9-44.8174.4-177.8-84.3000112Y288 D291 L292 Y295 L309 T310 Q315 L316 A317Y288-F313 HydrophobicContact CD2-CD2 4.31Å; Y288-F313 HydrophobicContact CD2-CE2 4.23Å; Y288-F313 HydrophobicContact CE1-CD2 4.36Å; Y288-F313 HydrophobicContact CE1-CE2 4.43Å; Y288-F313 AromaticContact CE2-CD2 3.5Å; Y288-F313 HydrophobicContact CE2-CD2 3.5Å; Y288-F313 VanDerWaalsContact CE2-CD2 3.5Å; Y288-F313 AromaticContact CE2-CE2 3.85Å; Y288-F313 HydrophobicContact CE2-CE2 3.85Å; Y288-F313 AromaticContact CZ-CD2 3.49Å; Y288-F313 VanDerWaalsContact CZ-CD2 3.49Å; Y288-F313 AromaticContact CZ-CE2 3.92Å; Y288-F313 WeakPolarHBondContact OH-CD2 3.46Å; D291-F313 HydrophobicContact CB-CE2 4.26Å; D291-F313 HydrophobicContact CB-CZ 3.91Å; L292-F313 HydrophobicContact CD2-CD1 4.18Å; L292-F313 HydrophobicContact CD2-CD2 3.74Å; L292-F313 HydrophobicContact CD2-CE1 3.99Å; L292-F313 HydrophobicContact CD2-CE2 3.52Å; L292-F313 HydrophobicContact CD2-CG 4.06Å; L292-F313 HydrophobicContact CD2-CZ 3.66Å; L292-F313 HydrophobicContact CG-CD2 4.43Å; L292-F313 HydrophobicContact CG-CE2 3.85Å; L292-F313 HydrophobicContact CG-CZ 4.08Å; Y295-F313 HydrophobicContact CD2-CE1 4.33Å; Y295-F313 HydrophobicContact CG-CE1 4.02Å; L309-F313 HydrophobicContact CD2-CD1 3.49Å; L309-F313 VanDerWaalsContact CD2-CD1 3.49Å; L309-F313 HydrophobicContact CD2-CE1 3.44Å; L309-F313 VanDerWaalsContact CD2-CE1 3.44Å; L309-F313 HydrophobicContact CD2-CG 4.37Å; L309-F313 HydrophobicContact CD2-CZ 4.28Å; T310-F313 WeakPolarHBondContact O-CB 3.3Å; T310-F313 PolarHBondContact O-N 3.05Å; T310-F313 VanDerWaalsContact O-N 3.12Å; T310-F313 VanDerWaalsContact OG1-CB 3.3Å; T310-F313 WeakPolarHBondContact OG1-CB 3.45Å; T310-F313 PolarHBondContact OG1-N 3.07Å; T310-F313 VanDerWaalsContact OG1-N 3.16Å; F313-Q315 VanDerWaalsContact C-N 3.35Å; F313-Q315 PolarHBondContact O-N 3.15Å; F313-L316 PolarHBondContact O-N 3.4Å; F313-A317 WeakPolarHBondContact O-CB 3.4Å; F313-A317 PolarHBondContact O-N 3.1Å
314K79.7Confident74Confident73 Ų7361.7 Ų61.732%0.31736%0.363SS..Hα-helixtrans-64-40.1177.7-62.6179.4-169.2161.90111.8Y295 T310 E311 T312 A317 G318Y295-K314 HydrophobicContact CE1-CB 4.49Å; Y295-K314 HydrophobicContact CE1-CG 4.3Å; T310-K314 PolarHBondContact O-N 3Å; E311-K314 PolarHBondContact O-N 3.46Å; E311-K314 IonicContact OE1-NZ 3.34Å; E311-K314 PolarHBondContact OE1-NZ 3.32Å; T312-K314 VanDerWaalsContact C-N 3.32Å; T312-K314 PolarHBondContact O-N 3.22Å; K314-A317 PolarHBondContact O-N 3.16Å; K314-G318 PolarHBondContact O-N 3.04Å
315Q82.9Confident75.5Confident128 Ų12857.5 Ų57.560%0.59833%0.334SS*.Hα-helixtrans-65.5-43.6175.9-71.9174.56.500111.9E311 T312 F313 A317 G318 S319E311-Q315 VanDerWaalsContact O-CG 3.32Å; E311-Q315 WeakPolarHBondContact O-CG 3.34Å; E311-Q315 PolarHBondContact O-N 3.29Å; T312-Q315 WeakPolarHBondContact O-CB 3.47Å; T312-Q315 PolarHBondContact O-N 3.23Å; T312-Q315 VanDerWaalsContact O-N 3.17Å; F313-Q315 VanDerWaalsContact C-N 3.35Å; F313-Q315 PolarHBondContact O-N 3.15Å; Q315-A317 VanDerWaalsContact C-N 3.34Å; Q315-A317 PolarHBondContact O-N 3.41Å; Q315-G318 PolarHBondContact O-N 3.4Å; Q315-S319 WeakPolarHBondContact O-CB 3.41Å; Q315-S319 PolarHBondContact O-N 2.88Å; Q315-S319 PolarHBondContact O-OG 3.21Å
316L81Confident77Confident21 Ų2157.4 Ų57.411%0.1133%0.334CS..Hα-helixtrans-62.4-43.2176.1-71170000110.7D250 I253 L257 Y288 L292 T312 F313 G318 S319 T320D250-L316 HydrophobicContact CB-CD1 4.2Å; I253-L316 HydrophobicContact CG2-CD1 4.5Å; L257-L316 HydrophobicContact CD1-CD2 3.69Å; Y288-L316 WeakPolarHBondContact OH-CD1 3.11Å; L292-L316 HydrophobicContact CD2-CB 4.12Å; T312-L316 WeakPolarHBondContact O-CB 3.45Å; T312-L316 VanDerWaalsContact O-CG 3.29Å; T312-L316 WeakPolarHBondContact O-CG 3.38Å; T312-L316 PolarHBondContact O-N 3.16Å; F313-L316 PolarHBondContact O-N 3.4Å; L316-G318 VanDerWaalsContact C-N 3.32Å; L316-G318 PolarHBondContact O-N 3.25Å; L316-S319 PolarHBondContact O-N 3.47Å; L316-S319 PolarHBondContact O-OG 3.03Å; L316-T320 VanDerWaalsContact O-CB 3.26Å; L316-T320 WeakPolarHBondContact O-CB 3.39Å; L316-T320 PolarHBondContact O-N 3.24Å; L316-T320 PolarHBondContact O-OG1 2.71Å
317A80.9Confident78.8Confident4 Ų456.8 Ų56.83%0.03333%0.325CS..Hα-helixtrans-64.9-34.6175.500000112.5L292 Y295 Q296 F313 K314 Q315L292-A317 HydrophobicContact CD2-CB 3.79Å; Y295-A317 HydrophobicContact CD1-CB 3.53Å; Y295-A317 HydrophobicContact CE1-CB 4.23Å; Y295-A317 HydrophobicContact CG-CB 4.38Å; Q296-A317 HydrophobicContact CG-CB 4.42Å; Q296-A317 VanDerWaalsContact CG-O 3.27Å; Q296-A317 WeakPolarHBondContact CG-O 3.38Å; Q296-A317 PolarHBondContact NE2-O 2.97Å; F313-A317 WeakPolarHBondContact O-CB 3.4Å; F313-A317 PolarHBondContact O-N 3.1Å; K314-A317 PolarHBondContact O-N 3.16Å; Q315-A317 VanDerWaalsContact C-N 3.34Å; Q315-A317 PolarHBondContact O-N 3.41Å
318G81.3Confident80.5Confident72 Ų7253.7 Ų53.774%0.74230%0.299SS*.Hα-helixtrans-76-33.7177.100000114.5K314 Q315 L316K314-G318 PolarHBondContact O-N 3.04Å; Q315-G318 PolarHBondContact O-N 3.4Å; L316-G318 VanDerWaalsContact C-N 3.32Å; L316-G318 PolarHBondContact O-N 3.25Å
319S83.3Confident82.1Confident85 Ų8554.6 Ų54.659%0.59431%0.305SS*.Hα-helixtrans-90.1-20.9-17454.50000114.3Q315 L316Q315-S319 WeakPolarHBondContact O-CB 3.41Å; Q315-S319 PolarHBondContact O-N 2.88Å; Q315-S319 PolarHBondContact O-OG 3.21Å; L316-S319 PolarHBondContact O-N 3.47Å; L316-S319 PolarHBondContact O-OG 3.03Å
320T83.6Confident83.6Confident7 Ų759.2 Ų59.24%0.04332%0.323CS..SBendtrans-90.9124.5-175.4-52.10000111.9L257 Q296 L316 R324 L325L257-T320 HydrophobicContact CD1-CG2 4.39Å; L257-T320 WeakPolarHBondContact CD1-OG1 3.21Å; L257-T320 HydrophobicContact CD2-CG2 3.64Å; Q296-T320 PolarHBondContact NE2-O 2.8Å; L316-T320 VanDerWaalsContact O-CB 3.26Å; L316-T320 WeakPolarHBondContact O-CB 3.39Å; L316-T320 PolarHBondContact O-N 3.24Å; L316-T320 PolarHBondContact O-OG1 2.71Å; T320-R324 HydrophobicContact CG2-CB 4.07Å; T320-R324 HydrophobicContact CG2-CG 4.26Å; T320-L325 HydrophobicContact CG2-CD2 3.76Å; T320-L325 HydrophobicContact CG2-CG 3.81Å
321P85.9Confident84.8Confident86 Ų8657.8 Ų57.856%0.55831%0.314SS*.  trans-63.2140171.8-21.833.4000112D323 R324 L325P321-D323 PolarHBondContact O-N 3.38Å; P321-R324 WeakPolarHBondContact O-CB 3.38Å; P321-R324 PolarHBondContact O-N 2.73Å; P321-L325 PolarHBondContact O-N 3.23Å
322S86.8Confident85.8Confident33 Ų3352 Ų5223%0.23129%0.287CS..Hα-helixtrans-57.9-34179.6-51.60000112.8Q296 R324 L325 Y326Q296-S322 PolarHBondContact OE1-OG 3.21Å; S322-R324 VanDerWaalsContact C-N 3.27Å; S322-R324 PolarHBondContact O-N 2.95Å; S322-L325 WeakPolarHBondContact O-CB 3.37Å; S322-L325 PolarHBondContact O-N 2.95Å; S322-L325 VanDerWaalsContact O-N 3.13Å; S322-Y326 WeakPolarHBondContact O-CD2 3.31Å; S322-Y326 PolarHBondContact O-N 2.96Å
323D86.9Confident86.5Confident127 Ų12751.2 Ų51.268%0.67929%0.285SS*.Hα-helixtrans-59.2-37174.7-68-16.9000112.5P321 Y326 V327P321-D323 PolarHBondContact O-N 3.38Å; D323-Y326 PolarHBondContact O-N 2.84Å; D323-V327 WeakPolarHBondContact O-CG2 3.34Å; D323-V327 PolarHBondContact O-N 3.22Å
324R86.7Confident87.2Confident41 Ų4155.3 Ų55.316%0.15530%0.303CS..Hα-helixtrans-67.8-41.8176.1-171.362.9166.9173-4.7110.6L257 T320 P321 S322 Y326 V327 M328 L356 V357 T358L257-R324 HydrophobicContact CD2-CG 4.09Å; T320-R324 HydrophobicContact CG2-CB 4.07Å; T320-R324 HydrophobicContact CG2-CG 4.26Å; P321-R324 WeakPolarHBondContact O-CB 3.38Å; P321-R324 PolarHBondContact O-N 2.73Å; S322-R324 VanDerWaalsContact C-N 3.27Å; S322-R324 PolarHBondContact O-N 2.95Å; R324-Y326 PolarHBondContact O-N 3.42Å; R324-V327 PolarHBondContact O-N 3.2Å; R324-M328 HydrophobicContact CG-SD 4.32Å; R324-M328 VanDerWaalsContact O-CG 3.29Å; R324-M328 WeakPolarHBondContact O-CG 3.49Å; R324-M328 PolarHBondContact O-N 2.94Å; R324-L356 PolarHBondContact NH2-O 2.98Å; R324-V357 PolarHBondContact NH2-O 2.88Å; R324-T358 PolarHBondContact NH1-O 3.12Å
325L87.3Confident87.7Confident0 Ų051.9 Ų51.90%029%0.289CS..Hα-helixtrans-61.6-41.7175.7-65176.4000112L292 L293 T320 P321 S322 V327 M328 I329L292-L325 HydrophobicContact CB-CD1 4.03Å; L292-L325 HydrophobicContact CB-CD2 4.13Å; L292-L325 HydrophobicContact CD1-CD2 3.98Å; L293-L325 HydrophobicContact CB-CD1 4.03Å; L293-L325 HydrophobicContact CD1-CB 4.14Å; L293-L325 HydrophobicContact CD1-CD1 4.01Å; T320-L325 HydrophobicContact CG2-CD2 3.76Å; T320-L325 HydrophobicContact CG2-CG 3.81Å; P321-L325 PolarHBondContact O-N 3.23Å; S322-L325 WeakPolarHBondContact O-CB 3.37Å; S322-L325 PolarHBondContact O-N 2.95Å; S322-L325 VanDerWaalsContact O-N 3.13Å; L325-V327 VanDerWaalsContact C-N 3.34Å; L325-V327 PolarHBondContact O-N 2.93Å; L325-M328 HydrophobicContact CD2-SD 4.47Å; L325-M328 PolarHBondContact O-N 3.01Å; L325-I329 VanDerWaalsContact O-CG1 3.29Å; L325-I329 WeakPolarHBondContact O-CG1 3.14Å; L325-I329 PolarHBondContact O-N 3.02Å
326Y89.5Confident88.1Confident129 Ų12948.7 Ų48.751%0.50627%0.274SS..Hα-helixtrans-59.9-42.5175-74.2-62.9000112.4L293 S322 D323 R324 I329 K330L293-Y326 HydrophobicContact CD1-CE2 4.25Å; L293-Y326 HydrophobicContact CD2-CD1 4.33Å; L293-Y326 HydrophobicContact CD2-CE1 3.74Å; S322-Y326 WeakPolarHBondContact O-CD2 3.31Å; S322-Y326 PolarHBondContact O-N 2.96Å; D323-Y326 PolarHBondContact O-N 2.84Å; R324-Y326 PolarHBondContact O-N 3.42Å; Y326-I329 PolarHBondContact O-N 2.96Å; Y326-K330 WeakPolarHBondContact O-CB 3.2Å; Y326-K330 PolarHBondContact O-N 3.38Å
327V90Very high88.6Confident41 Ų4151.8 Ų51.825%0.24829%0.291CS..Hα-helixtrans-64-43.4176.1173.10000111.1D323 R324 L325 K330 I331 Q360D323-V327 WeakPolarHBondContact O-CG2 3.34Å; D323-V327 PolarHBondContact O-N 3.22Å; R324-V327 PolarHBondContact O-N 3.2Å; L325-V327 VanDerWaalsContact C-N 3.34Å; L325-V327 PolarHBondContact O-N 2.93Å; V327-K330 PolarHBondContact O-N 2.81Å; V327-I331 HydrophobicContact CG1-CD1 3.79Å; V327-I331 HydrophobicContact CG1-CG1 4.49Å; V327-I331 WeakPolarHBondContact O-CG1 3.45Å; V327-I331 PolarHBondContact O-N 2.97Å; V327-Q360 HydrophobicContact CG1-CG 4.31Å
328M90.4Very high89.1Confident2 Ų255.7 Ų55.71%0.0131%0.308CS..Hα-helixtrans-61.7-47177.9-67.1174.974.900111.7I253 C256 L257 R324 L325 K330 I331 L332 L356I253-M328 HydrophobicContact CD1-CE 3.52Å; I253-M328 HydrophobicContact CG2-CE 4.28Å; C256-M328 HydrophobicContact CB-CE 4.49Å; L257-M328 HydrophobicContact CD2-SD 4.35Å; R324-M328 HydrophobicContact CG-SD 4.32Å; R324-M328 VanDerWaalsContact O-CG 3.29Å; R324-M328 WeakPolarHBondContact O-CG 3.49Å; R324-M328 PolarHBondContact O-N 2.94Å; L325-M328 HydrophobicContact CD2-SD 4.47Å; L325-M328 PolarHBondContact O-N 3.01Å; M328-K330 VanDerWaalsContact C-N 3.29Å; M328-K330 PolarHBondContact O-N 3.01Å; M328-I331 PolarHBondContact O-N 2.98Å; M328-L332 WeakPolarHBondContact O-CB 3.39Å; M328-L332 WeakPolarHBondContact O-CG 3.25Å; M328-L332 PolarHBondContact O-N 2.86Å; M328-L356 HydrophobicContact CB-CD2 3.75Å; M328-L356 HydrophobicContact CE-CD2 4.41Å; M328-L356 HydrophobicContact CG-CD2 3.75Å
329I91.5Very high89.5Confident40 Ų4052.4 Ų52.421%0.20527%0.274CS..Hα-helixtrans-59.3-41.5176.6-68.8167.1000110.9C289 L293 L325 Y326 S333C289-I329 HydrophobicContact CB-CD1 4.35Å; C289-I329 HydrophobicContact CB-CG1 3.73Å; L293-I329 HydrophobicContact CD2-CD1 4.28Å; L325-I329 VanDerWaalsContact O-CG1 3.29Å; L325-I329 WeakPolarHBondContact O-CG1 3.14Å; L325-I329 PolarHBondContact O-N 3.02Å; Y326-I329 PolarHBondContact O-N 2.96Å; I329-S333 VanDerWaalsContact O-CB 3.24Å; I329-S333 WeakPolarHBondContact O-CB 3.23Å; I329-S333 PolarHBondContact O-N 3.47Å
330K92.8Very high89.6Confident131 Ų13156.7 Ų56.757%0.5728%0.277SS*.Hα-helixtrans-62-49.3177.3-177179.4174.5-176.60111.7Y326 V327 M328 L332 S333 E334Y326-K330 WeakPolarHBondContact O-CB 3.2Å; Y326-K330 PolarHBondContact O-N 3.38Å; V327-K330 PolarHBondContact O-N 2.81Å; M328-K330 VanDerWaalsContact C-N 3.29Å; M328-K330 PolarHBondContact O-N 3.01Å; K330-L332 PolarHBondContact O-N 2.8Å; K330-S333 PolarHBondContact O-N 3.42Å; K330-E334 WeakPolarHBondContact CE-OE1 3.37Å; K330-E334 WeakPolarHBondContact O-CG 3.42Å; K330-E334 PolarHBondContact O-N 2.92Å
331I92Very high89.6Confident8 Ų865.1 Ų65.14%0.04131%0.313CS..Hα-helixtrans-61.4-45.9179.4-67.2164.2000110.6V327 M328 S333 E334 T335 A352 K355 L356V327-I331 HydrophobicContact CG1-CD1 3.79Å; V327-I331 HydrophobicContact CG1-CG1 4.49Å; V327-I331 WeakPolarHBondContact O-CG1 3.45Å; V327-I331 PolarHBondContact O-N 2.97Å; M328-I331 PolarHBondContact O-N 2.98Å; I331-S333 PolarHBondContact O-N 3.39Å; I331-E334 PolarHBondContact O-N 3.41Å; I331-T335 WeakPolarHBondContact O-CB 3.47Å; I331-T335 PolarHBondContact O-N 3.14Å; I331-T335 PolarHBondContact O-OG1 3.4Å; I331-A352 HydrophobicContact CG2-CB 4.31Å; I331-K355 HydrophobicContact CD1-CB 4.16Å; I331-K355 HydrophobicContact CG2-CB 3.99Å; I331-K355 HydrophobicContact CG2-CD 4.33Å; I331-L356 HydrophobicContact CB-CD2 4.01Å; I331-L356 HydrophobicContact CD1-CD2 4.15Å; I331-L356 HydrophobicContact CG2-CD2 4.04Å; I331-L356 HydrophobicContact CG2-CG 4.07Å
332L92.6Very high89.6Confident1 Ų162.2 Ų62.21%0.00529%0.294CS..Hα-helixtrans-63.4-41178.4-71.6169.3000111.8T282 L285 L286 M328 K330 T335 Q336 L356T282-L332 HydrophobicContact CG2-CD2 4.34Å; T282-L332 WeakPolarHBondContact CG2-O 2.87Å; L285-L332 HydrophobicContact CB-CD1 3.94Å; L285-L332 HydrophobicContact CB-CD2 4.1Å; L285-L332 HydrophobicContact CD1-CD2 4.25Å; L286-L332 HydrophobicContact CB-CB 4.42Å; L286-L332 HydrophobicContact CD1-CB 4.37Å; M328-L332 WeakPolarHBondContact O-CB 3.39Å; M328-L332 WeakPolarHBondContact O-CG 3.25Å; M328-L332 PolarHBondContact O-N 2.86Å; K330-L332 PolarHBondContact O-N 2.8Å; L332-T335 PolarHBondContact O-N 2.86Å; L332-Q336 WeakPolarHBondContact O-CB 3.47Å; L332-Q336 PolarHBondContact O-N 3.28Å; L332-L356 HydrophobicContact CD2-CD1 3.99Å; L332-L356 HydrophobicContact CG-CD1 4.35Å; L332-L356 HydrophobicContact CG-CD2 4.4Å
333S92.6Very high89.5Confident47 Ų4768.4 Ų68.433%0.32932%0.324SS..Hα-helixtrans-67.6-40177.9-174.60000112.9I329 K330 I331 Q336 N337I329-S333 VanDerWaalsContact O-CB 3.24Å; I329-S333 WeakPolarHBondContact O-CB 3.23Å; I329-S333 PolarHBondContact O-N 3.47Å; K330-S333 PolarHBondContact O-N 3.42Å; I331-S333 PolarHBondContact O-N 3.39Å; S333-Q336 PolarHBondContact O-N 3Å; S333-N337 PolarHBondContact O-N 3.07Å; S333-N337 PolarHBondContact O-ND2 3.22Å
334E92.6Very high89.6Confident85 Ų8568.6 Ų68.640%0.39732%0.321SS..Hα-helixtrans-62-47.1172.6-73.8173.1-175.200110.5K330 I331 Q336 N337 E338K330-E334 WeakPolarHBondContact CE-OE1 3.37Å; K330-E334 WeakPolarHBondContact O-CG 3.42Å; K330-E334 PolarHBondContact O-N 2.92Å; I331-E334 PolarHBondContact O-N 3.41Å; E334-Q336 PolarHBondContact O-N 3.38Å; E334-N337 PolarHBondContact O-N 3.12Å; E334-E338 WeakPolarHBondContact O-CG 3.36Å; E334-E338 PolarHBondContact O-N 3.18Å; E334-E338 VanDerWaalsContact O-N 3.1Å
335T92Very high89.7Confident1 Ų167.6 Ų67.61%0.00632%0.321CS..Hα-helixtrans-61.8-41.4179.1-53.70000111.7I331 L332 N337 E338 I339 A352I331-T335 WeakPolarHBondContact O-CB 3.47Å; I331-T335 PolarHBondContact O-N 3.14Å; I331-T335 PolarHBondContact O-OG1 3.4Å; L332-T335 PolarHBondContact O-N 2.86Å; T335-N337 VanDerWaalsContact C-N 3.27Å; T335-N337 PolarHBondContact O-N 3.26Å; T335-E338 PolarHBondContact O-N 3.21Å; T335-E338 VanDerWaalsContact O-N 3.13Å; T335-I339 HydrophobicContact CG2-CD1 3.7Å; T335-I339 HydrophobicContact CG2-CG1 4.14Å; T335-I339 WeakPolarHBondContact O-CB 3.38Å; T335-I339 WeakPolarHBondContact O-CG1 3.47Å; T335-I339 PolarHBondContact O-N 3.23Å; T335-A352 HydrophobicContact CG2-CB 3.66Å; T335-A352 VanDerWaalsContact OG1-CB 3.27Å; T335-A352 WeakPolarHBondContact OG1-CB 3.31Å
336Q91.5Very high89.8Confident62 Ų6271.1 Ų71.129%0.2934%0.34SS..Hα-helixtrans-57.9-40.4176.8-169.7-174.330.900111.8T282 L332 S333 E334 R340T282-Q336 HydrophobicContact CG2-CB 3.9Å; T282-Q336 HydrophobicContact CG2-CG 4.48Å; L332-Q336 WeakPolarHBondContact O-CB 3.47Å; L332-Q336 PolarHBondContact O-N 3.28Å; S333-Q336 PolarHBondContact O-N 3Å; E334-Q336 PolarHBondContact O-N 3.38Å; Q336-R340 PolarHBondContact O-N 2.99Å
337N90.9Very high89.8Confident86 Ų8668.5 Ų68.546%0.4634%0.337SS..Hα-helixtrans-69.6-38.6176.9-72.9-53.2000112.2S333 E334 T335 R340 F341S333-N337 PolarHBondContact O-N 3.07Å; S333-N337 PolarHBondContact O-ND2 3.22Å; E334-N337 PolarHBondContact O-N 3.12Å; T335-N337 VanDerWaalsContact C-N 3.27Å; T335-N337 PolarHBondContact O-N 3.26Å; N337-R340 WeakPolarHBondContact O-CB 3.44Å; N337-R340 PolarHBondContact O-N 2.94Å; N337-F341 WeakPolarHBondContact O-CD2 3.48Å
338E90.3Very high89.9Confident86 Ų8669.5 Ų69.540%0.40234%0.337SS..Hα-helixtrans-68-41.2177.9-68179.3158.100112.1E334 T335 R340 F341 Y348E334-E338 WeakPolarHBondContact O-CG 3.36Å; E334-E338 PolarHBondContact O-N 3.18Å; E334-E338 VanDerWaalsContact O-N 3.1Å; T335-E338 PolarHBondContact O-N 3.21Å; T335-E338 VanDerWaalsContact O-N 3.13Å; E338-R340 PolarHBondContact O-N 3.38Å; E338-F341 PolarHBondContact O-N 3.45Å; E338-Y348 HydrophobicContact CB-CD1 3.63Å; E338-Y348 HydrophobicContact CB-CE1 3.75Å; E338-Y348 HydrophobicContact CB-CG 4.48Å; E338-Y348 HydrophobicContact CG-CD1 4.4Å; E338-Y348 HydrophobicContact CG-CE1 4.29Å; E338-Y348 VanDerWaalsContact OE2-CD1 3.31Å; E338-Y348 WeakPolarHBondContact OE2-CD1 3.28Å
339I90.6Very high89.9Confident3 Ų369.5 Ų69.52%0.01534%0.337CS..Hα-helixtrans-62.2-23.9177.7-72.5174.8000112.1R279 T282 T335 F341 A345R279-I339 HydrophobicContact CB-CG2 4.5Å; R279-I339 HydrophobicContact CG-CG2 3.31Å; R279-I339 PolarHBondContact NH2-O 3.23Å; R279-I339 VanDerWaalsContact NH2-O 3.12Å; T282-I339 WeakPolarHBondContact OG1-CD1 3.38Å; T335-I339 HydrophobicContact CG2-CD1 3.7Å; T335-I339 HydrophobicContact CG2-CG1 4.14Å; T335-I339 WeakPolarHBondContact O-CB 3.38Å; T335-I339 WeakPolarHBondContact O-CG1 3.47Å; T335-I339 PolarHBondContact O-N 3.23Å; I339-F341 VanDerWaalsContact C-N 3.26Å; I339-F341 PolarHBondContact O-N 3.39Å; I339-A345 HydrophobicContact CG1-CB 4.41Å; I339-A345 HydrophobicContact CG2-CB 3.71Å
340R84.7Confident89.8Confident175 Ų17571.7 Ų71.766%0.6635%0.346SS*.THydrogen-bonded Turntrans-66.3-26.8-177-142.2175.8-174.1-174.71.3113.5R279 Q336 N337 E338R279-R340 PolarHBondContact NH2-O 3.44Å; Q336-R340 PolarHBondContact O-N 2.99Å; N337-R340 WeakPolarHBondContact O-CB 3.44Å; N337-R340 PolarHBondContact O-N 2.94Å; E338-R340 PolarHBondContact O-N 3.38Å
341F83.3Confident89.7Confident183 Ų18368.2 Ų68.280%0.80334%0.336SS*.THydrogen-bonded Turntrans-118.412.1-172.8-55.6-74.7000114.2N337 E338 I339N337-F341 WeakPolarHBondContact O-CD2 3.48Å; E338-F341 PolarHBondContact O-N 3.45Å; I339-F341 VanDerWaalsContact C-N 3.26Å; I339-F341 PolarHBondContact O-N 3.39Å
342T86.9Confident89.7Confident25 Ų2567.9 Ų67.915%0.15333%0.334CS..  trans-116152-178.2-173.30000111.7H344 Y348T342-H344 PolarHBondContact OG1-N 2.89Å; T342-H344 VanDerWaalsContact OG1-N 3.11Å; T342-Y348 HydrophobicContact CG2-CD2 3.74Å; T342-Y348 HydrophobicContact CG2-CE2 3.85Å; T342-Y348 WeakPolarHBondContact OG1-CE2 3.32Å
343N85.3Confident89.6Confident163 Ų16367.8 Ų67.887%0.87233%0.334SS*.SBendtrans-89.7-9.3169.3-64.8-17.2000112.4
344H88Confident89.5Confident132 Ų13267.9 Ų67.961%0.61133%0.333SS*.  trans-11661.1-177.7-60.7-67000110.8T342 N346 V347 Y348T342-H344 PolarHBondContact OG1-N 2.89Å; T342-H344 VanDerWaalsContact OG1-N 3.11Å; H344-N346 VanDerWaalsContact C-N 3.28Å; H344-N346 PolarHBondContact O-N 3.43Å; H344-V347 HydrophobicContact CB-CB 4.48Å; H344-V347 HydrophobicContact CB-CG2 4.15Å; H344-V347 PolarHBondContact O-N 3.44Å; H344-Y348 WeakPolarHBondContact O-CD2 3.29Å
345A89Confident89.4Confident20 Ų2067.8 Ų67.817%0.16533%0.331CS..Hα-helixtrans-58.6-38.1-175.900000113.1A278 I339 V347 Y348 L349A278-A345 HydrophobicContact CB-CB 3.82Å; I339-A345 HydrophobicContact CG1-CB 4.41Å; I339-A345 HydrophobicContact CG2-CB 3.71Å; A345-V347 VanDerWaalsContact C-N 3.34Å; A345-V347 PolarHBondContact O-N 3.04Å; A345-Y348 PolarHBondContact O-N 3.45Å; A345-L349 PolarHBondContact O-N 3.44Å; A345-L349 VanDerWaalsContact O-N 3.13Å
346N89.3Confident89.2Confident74 Ų7467.9 Ų67.940%0.39633%0.331SS..Hα-helixtrans-60.7-41.3-177.9-61.76.8000112.1L272 H344 Y348 L349 E350L272-N346 HydrophobicContact CD1-CB 4.16Å; H344-N346 VanDerWaalsContact C-N 3.28Å; H344-N346 PolarHBondContact O-N 3.43Å; N346-Y348 VanDerWaalsContact C-N 3.33Å; N346-Y348 PolarHBondContact O-N 2.9Å; N346-L349 CarbonylContact O-C 3.58Å; N346-L349 WeakPolarHBondContact O-CA 3.47Å; N346-L349 WeakPolarHBondContact O-CB 3.5Å; N346-L349 PolarHBondContact O-N 2.88Å; N346-E350 WeakPolarHBondContact O-CG 3.32Å; N346-E350 PolarHBondContact O-N 2.79Å
347V89.9Confident89Confident74 Ų7465 Ų6545%0.44832%0.318SS..Hα-helixtrans-61.8-41.4178.81790000111.4H344 A345 L349 E350 V351H344-V347 HydrophobicContact CB-CB 4.48Å; H344-V347 HydrophobicContact CB-CG2 4.15Å; H344-V347 PolarHBondContact O-N 3.44Å; A345-V347 VanDerWaalsContact C-N 3.34Å; A345-V347 PolarHBondContact O-N 3.04Å; V347-L349 VanDerWaalsContact C-N 3.27Å; V347-L349 PolarHBondContact O-N 3.23Å; V347-E350 PolarHBondContact O-N 3.48Å; V347-V351 VanDerWaalsContact O-CG2 3.27Å; V347-V351 WeakPolarHBondContact O-CG2 3.24Å; V347-V351 PolarHBondContact O-N 3Å
348Y91Very high88.5Confident61 Ų6164.2 Ų64.224%0.23932%0.316CS..Hα-helixtrans-65.5-36.3176.8-79-93.1000111.4E338 T342 H344 A345 N346 A352E338-Y348 HydrophobicContact CB-CD1 3.63Å; E338-Y348 HydrophobicContact CB-CE1 3.75Å; E338-Y348 HydrophobicContact CB-CG 4.48Å; E338-Y348 HydrophobicContact CG-CD1 4.4Å; E338-Y348 HydrophobicContact CG-CE1 4.29Å; E338-Y348 VanDerWaalsContact OE2-CD1 3.31Å; E338-Y348 WeakPolarHBondContact OE2-CD1 3.28Å; T342-Y348 HydrophobicContact CG2-CD2 3.74Å; T342-Y348 HydrophobicContact CG2-CE2 3.85Å; T342-Y348 WeakPolarHBondContact OG1-CE2 3.32Å; H344-Y348 WeakPolarHBondContact O-CD2 3.29Å; A345-Y348 PolarHBondContact O-N 3.45Å; N346-Y348 VanDerWaalsContact C-N 3.33Å; N346-Y348 PolarHBondContact O-N 2.9Å; Y348-A352 WeakPolarHBondContact O-CB 3.49Å; Y348-A352 PolarHBondContact O-N 3.39Å
349L90.6Very high87.3Confident2 Ų262.7 Ų62.71%0.0131%0.314CS..Hα-helixtrans-70.3-42.2177.6-171.159.2000112.3L268 A278 L281 A345 N346 V347 V351 A352 T353L268-L349 HydrophobicContact CD1-CD2 3.56Å; L268-L349 HydrophobicContact CD1-CG 3.89Å; L268-L349 HydrophobicContact CD2-CG 4.22Å; A278-L349 HydrophobicContact CB-CD2 3.86Å; L281-L349 HydrophobicContact CB-CD2 4.37Å; L281-L349 HydrophobicContact CD2-CD2 3.4Å; L281-L349 VanDerWaalsContact CD2-CD2 3.4Å; L281-L349 HydrophobicContact CG-CD2 3.83Å; A345-L349 PolarHBondContact O-N 3.44Å; A345-L349 VanDerWaalsContact O-N 3.13Å; N346-L349 CarbonylContact O-C 3.58Å; N346-L349 WeakPolarHBondContact O-CA 3.47Å; N346-L349 WeakPolarHBondContact O-CB 3.5Å; N346-L349 PolarHBondContact O-N 2.88Å; V347-L349 VanDerWaalsContact C-N 3.27Å; V347-L349 PolarHBondContact O-N 3.23Å; L349-V351 VanDerWaalsContact C-N 3.34Å; L349-V351 PolarHBondContact O-N 2.88Å; L349-A352 CarbonylContact O-C 3.56Å; L349-A352 WeakPolarHBondContact O-CA 3.09Å; L349-A352 WeakPolarHBondContact O-CB 3.47Å; L349-A352 PolarHBondContact O-N 3.05Å; L349-A352 VanDerWaalsContact O-N 3.12Å; L349-T353 PolarHBondContact O-N 3.22Å; L349-T353 PolarHBondContact O-OG1 2.93Å
350E90.2Very high85.7Confident86 Ų8668.8 Ų68.840%0.40234%0.342SS..Hα-helixtrans-57.5-46.6172.2-71.2162.9-160.300111.3L265 L268 N346 V347 A352 T353 V354L265-E350 HydrophobicContact CD2-CB 4.29Å; L265-E350 HydrophobicContact CD2-CG 4.43Å; L268-E350 HydrophobicContact CD2-CB 4.4Å; L268-E350 HydrophobicContact CD2-CG 3.85Å; N346-E350 WeakPolarHBondContact O-CG 3.32Å; N346-E350 PolarHBondContact O-N 2.79Å; V347-E350 PolarHBondContact O-N 3.48Å; E350-A352 VanDerWaalsContact C-N 3.3Å; E350-A352 PolarHBondContact O-N 2.55Å; E350-T353 WeakPolarHBondContact O-CB 3.49Å; E350-T353 PolarHBondContact O-N 3.1Å; E350-V354 WeakPolarHBondContact O-CG2 3.38Å; E350-V354 PolarHBondContact O-N 3.01Å
351V91Very high83.6Confident58 Ų5866.2 Ų66.235%0.35235%0.346SS..Hα-helixtrans-62.4-39.2175.51720000111.1V347 L349 V354 K355V347-V351 VanDerWaalsContact O-CG2 3.27Å; V347-V351 WeakPolarHBondContact O-CG2 3.24Å; V347-V351 PolarHBondContact O-N 3Å; L349-V351 VanDerWaalsContact C-N 3.34Å; L349-V351 PolarHBondContact O-N 2.88Å; V351-V354 PolarHBondContact O-N 3.01Å; V351-K355 HydrophobicContact CG1-CD 4.37Å; V351-K355 WeakPolarHBondContact O-CG 3.48Å; V351-K355 PolarHBondContact O-N 3.4Å
352A91.3Very high81.2Confident1 Ų163 Ų631%0.00835%0.347CS..Hα-helixtrans-64.5-43175.600000111.6I331 T335 Y348 L349 E350 V354 K355 L356I331-A352 HydrophobicContact CG2-CB 4.31Å; T335-A352 HydrophobicContact CG2-CB 3.66Å; T335-A352 VanDerWaalsContact OG1-CB 3.27Å; T335-A352 WeakPolarHBondContact OG1-CB 3.31Å; Y348-A352 WeakPolarHBondContact O-CB 3.49Å; Y348-A352 PolarHBondContact O-N 3.39Å; L349-A352 CarbonylContact O-C 3.56Å; L349-A352 WeakPolarHBondContact O-CA 3.09Å; L349-A352 WeakPolarHBondContact O-CB 3.47Å; L349-A352 PolarHBondContact O-N 3.05Å; L349-A352 VanDerWaalsContact O-N 3.12Å; E350-A352 VanDerWaalsContact C-N 3.3Å; E350-A352 PolarHBondContact O-N 2.55Å; A352-V354 VanDerWaalsContact C-N 3.35Å; A352-V354 PolarHBondContact O-N 2.84Å; A352-K355 CarbonylContact O-C 3.58Å; A352-K355 WeakPolarHBondContact O-CA 3.41Å; A352-K355 WeakPolarHBondContact O-CB 3.28Å; A352-K355 PolarHBondContact O-N 2.97Å; A352-K355 VanDerWaalsContact O-N 3.11Å; A352-L356 WeakPolarHBondContact O-CB 3.26Å; A352-L356 VanDerWaalsContact O-CG 3.24Å; A352-L356 WeakPolarHBondContact O-CG 3.42Å; A352-L356 PolarHBondContact O-N 3.46Å
353T91Very high78.6Confident0 Ų066.5 Ų66.50%038%0.378CS..Hα-helixtrans-56.6-48174.3-57.80000111F252 A264 L265 L349 E350 K355 L356 V357F252-T353 HydrophobicContact CE2-CG2 3.75Å; F252-T353 HydrophobicContact CZ-CG2 3.83Å; F252-T353 WeakPolarHBondContact CZ-OG1 2.99Å; A264-T353 HydrophobicContact CB-CG2 3.64Å; L265-T353 HydrophobicContact CD2-CG2 4.06Å; L265-T353 HydrophobicContact CG-CG2 4.46Å; L349-T353 PolarHBondContact O-N 3.22Å; L349-T353 PolarHBondContact O-OG1 2.93Å; E350-T353 WeakPolarHBondContact O-CB 3.49Å; E350-T353 PolarHBondContact O-N 3.1Å; T353-K355 VanDerWaalsContact C-N 3.31Å; T353-K355 PolarHBondContact O-N 3.34Å; T353-L356 WeakPolarHBondContact O-CB 3.33Å; T353-L356 PolarHBondContact O-N 3.28Å; T353-L356 VanDerWaalsContact O-N 3.11Å; T353-V357 HydrophobicContact CG2-CG2 4.41Å; T353-V357 WeakPolarHBondContact O-CG2 3.45Å; T353-V357 PolarHBondContact O-N 2.75Å
354V90.3Very high75.9Confident49 Ų4965.2 Ų65.230%0.29737%0.371SS..Hα-helixtrans-60.6-40.9176.1177.40000111.6V261 L265 E350 V351 A352 T358V261-V354 HydrophobicContact CG1-CG2 4.2Å; L265-V354 HydrophobicContact CD1-CG2 4.33Å; L265-V354 HydrophobicContact CD2-CG2 4.5Å; E350-V354 WeakPolarHBondContact O-CG2 3.38Å; E350-V354 PolarHBondContact O-N 3.01Å; V351-V354 PolarHBondContact O-N 3.01Å; A352-V354 VanDerWaalsContact C-N 3.35Å; A352-V354 PolarHBondContact O-N 2.84Å; V354-T358 PolarHBondContact O-N 3.14Å; V354-T358 VanDerWaalsContact O-N 3.11Å; V354-T358 PolarHBondContact O-OG1 3.07Å
355K89.4Confident73.1Confident82 Ų8266.7 Ų66.736%0.35738%0.382SS..Hα-helixtrans-64.9-37.1175.1-73.6174.4179.21770112.5I331 V351 A352 T353I331-K355 HydrophobicContact CD1-CB 4.16Å; I331-K355 HydrophobicContact CG2-CB 3.99Å; I331-K355 HydrophobicContact CG2-CD 4.33Å; V351-K355 HydrophobicContact CG1-CD 4.37Å; V351-K355 WeakPolarHBondContact O-CG 3.48Å; V351-K355 PolarHBondContact O-N 3.4Å; A352-K355 CarbonylContact O-C 3.58Å; A352-K355 WeakPolarHBondContact O-CA 3.41Å; A352-K355 WeakPolarHBondContact O-CB 3.28Å; A352-K355 PolarHBondContact O-N 2.97Å; A352-K355 VanDerWaalsContact O-N 3.11Å; T353-K355 VanDerWaalsContact C-N 3.31Å; T353-K355 PolarHBondContact O-N 3.34Å
356L88.9Confident70.3Confident3 Ų369.9 Ų69.92%0.01641%0.408CS..Hα-helixtrans-68.8-40.3179.2-72.1168.7000111.5F252 R324 M328 I331 L332 A352 T353F252-L356 HydrophobicContact CE1-CD1 4.36Å; R324-L356 PolarHBondContact NH2-O 2.98Å; M328-L356 HydrophobicContact CB-CD2 3.75Å; M328-L356 HydrophobicContact CE-CD2 4.41Å; M328-L356 HydrophobicContact CG-CD2 3.75Å; I331-L356 HydrophobicContact CB-CD2 4.01Å; I331-L356 HydrophobicContact CD1-CD2 4.15Å; I331-L356 HydrophobicContact CG2-CD2 4.04Å; I331-L356 HydrophobicContact CG2-CG 4.07Å; L332-L356 HydrophobicContact CD2-CD1 3.99Å; L332-L356 HydrophobicContact CG-CD1 4.35Å; L332-L356 HydrophobicContact CG-CD2 4.4Å; A352-L356 WeakPolarHBondContact O-CB 3.26Å; A352-L356 VanDerWaalsContact O-CG 3.24Å; A352-L356 WeakPolarHBondContact O-CG 3.42Å; A352-L356 PolarHBondContact O-N 3.46Å; T353-L356 WeakPolarHBondContact O-CB 3.33Å; T353-L356 PolarHBondContact O-N 3.28Å; T353-L356 VanDerWaalsContact O-N 3.11Å
357V88Confident67.5Low1 Ų173.5 Ų73.51%0.00643%0.426CS..Hα-helixtrans-70.2-39.8179.3-176.10000110.7C256 Q259 V261 A264 R324 T353 P359C256-V357 HydrophobicContact CB-CG2 4.43Å; Q259-V357 VanDerWaalsContact CA-CG1 3.47Å; Q259-V357 HydrophobicContact CB-CG1 4.37Å; V261-V357 HydrophobicContact CB-CG1 4.32Å; V261-V357 HydrophobicContact CG2-CB 4.03Å; V261-V357 HydrophobicContact CG2-CG1 3.49Å; V261-V357 VanDerWaalsContact CG2-CG1 3.49Å; A264-V357 HydrophobicContact CB-CG2 3.81Å; R324-V357 PolarHBondContact NH2-O 2.88Å; T353-V357 HydrophobicContact CG2-CG2 4.41Å; T353-V357 WeakPolarHBondContact O-CG2 3.45Å; T353-V357 PolarHBondContact O-N 2.75Å; V357-P359 WeakPolarHBondContact O-CD 3.46Å
358T79.5Confident64.7Low70 Ų7073.2 Ų73.243%0.42944%0.438SS..SBendtrans-63.8124.5-176.4-53.80000111.3R324 V354 Q360R324-T358 PolarHBondContact NH1-O 3.12Å; V354-T358 PolarHBondContact O-N 3.14Å; V354-T358 VanDerWaalsContact O-N 3.11Å; V354-T358 PolarHBondContact O-OG1 3.07Å; T358-Q360 PolarHBondContact O-N 3.25Å
359P64.6Low61.9Low54 Ų5477.5 Ų77.535%0.35147%0.465SS..  trans-65.9118.317223.6-29.5000109.3V357 T361V357-P359 WeakPolarHBondContact O-CD 3.46Å; P359-T361 PolarHBondContact O-N 2.98Å
360Q58.4Low59.1Low131 Ų13181.9 Ų81.961%0.61250%0.496SS*.  trans-7385.6168.7-67.3-152.5-2.400108V327 T358 S362V327-Q360 HydrophobicContact CG1-CG 4.31Å; T358-Q360 PolarHBondContact O-N 3.25Å; Q360-S362 PolarHBondContact O-N 3.24Å
361T40.3Very low56.6Low122 Ų12282.8 Ų82.875%0.74851%0.512SS*.  trans-58.7120162.6-39.40000106.7P359 A363P359-T361 PolarHBondContact O-N 2.98Å; T361-A363 PolarHBondContact O-N 2.74Å
362S33.3Very low53.8Low115 Ų11585 Ų8580%0.80453%0.529SS*.  trans-32.991177-52.30000112.9Q360 N364Q360-S362 PolarHBondContact O-N 3.24Å; S362-N364 VanDerWaalsContact C-N 3.26Å; S362-N364 PolarHBondContact O-N 2.92Å
363A31.1Very low51Low98 Ų9892.9 Ų92.981%0.8157%0.572SS**  trans-81.483.8168.200000107.3T361T361-A363 PolarHBondContact O-N 2.74Å
364N28.4Very low48.1Very low136 Ų136101.7 Ų101.773%0.72761%0.613SS**  trans42.288.4151.5-71.4-16.1000117.1S362 A366S362-N364 VanDerWaalsContact C-N 3.26Å; S362-N364 PolarHBondContact O-N 2.92Å; N364-A366 HydrophobicContact CB-CB 4.13Å; N364-A366 PolarHBondContact O-N 2.9Å; N364-A366 VanDerWaalsContact O-N 3.13Å
365I30.6Very low45.5Very low163 Ų163107.2 Ų107.284%0.83664%0.639SS**  trans-74.380133.1-57.4176.1000105.4I367I365-I367 HydrophobicContact CG2-CD1 4.01Å; I365-I367 HydrophobicContact CG2-CG1 4.11Å; I365-I367 PolarHBondContact O-N 2.75Å; I365-I367 VanDerWaalsContact O-N 3.11Å
366A28.9Very low42.6Very low87 Ų87107.8 Ų107.872%0.71966%0.659SS**  trans-75.295173.900000108.7N364N364-A366 HydrophobicContact CB-CB 4.13Å; N364-A366 PolarHBondContact O-N 2.9Å; N364-A366 VanDerWaalsContact O-N 3.13Å
367I31.7Very low40Very low151 Ų151114.4 Ų114.477%0.77470%0.699SS**  trans-114.5113160.3-61.1171.9000106.1I365I365-I367 HydrophobicContact CG2-CD1 4.01Å; I365-I367 HydrophobicContact CG2-CG1 4.11Å; I365-I367 PolarHBondContact O-N 2.75Å; I365-I367 VanDerWaalsContact O-N 3.11Å
368G30.2Very low37.3Very low68 Ų68118.7 Ų118.770%0.70173%0.734SS**SBendtrans89.1112.215600000117.6
369D32.1Very low35.3Very low151 Ų151121.2 Ų121.281%0.80776%0.755SS**  trans69104.7142-82.6-41.4000121.9
370S32.3Very low33.8Very low93 Ų93123.5 Ų123.565%0.6578%0.778SS**  75.3121.4113.9-590000120.4
371S36.8Very low32.8Very low106 Ų106122.8 Ų122.874%0.74178%0.783SS**  trans78.5100.6143.739.50000120.9
372S32.3Very low32.8Very low103 Ų103123.6 Ų123.672%0.7278%0.778SS**  50.1110.9125.861.50000120.4
373N33Very low33.5Very low168 Ų168123.5 Ų123.590%0.89878%0.775SS**  -173.9137.6108.4-112.4-14.3000113.2
374Q30.3Very low34.3Very low184 Ų184122.2 Ų122.286%0.8676%0.764SS**  trans-79.3139.7172.8-64.6170.8-7.400110.9
375I35.8Very low35.2Very low166 Ų166120.9 Ų120.985%0.85176%0.757SS**  trans-147.9124.5139-57.7-173.7000108.5
376A28.7Very low36.1Very low94 Ų94119.1 Ų119.178%0.77775%0.746SS**  trans-92.8144.7173.400000111
377V35Very low37.7Very low142 Ų142117.8 Ų117.886%0.86173%0.734SS**  trans-142.5127.2154.8-166.50000109.1
378A31Very low39.3Very low90 Ų90117.5 Ų117.574%0.74473%0.73SS**  trans-86.8148.6-179.300000112.1
379S36.6Very low40.8Very low124 Ų124120.9 Ų120.987%0.86773%0.725SS**  trans-148.4128156.6-62.50000109.5
380A33.7Very low42.6Very low101 Ų101117.5 Ų117.584%0.83571%0.711SS**  trans-88.6140.5-172.100000112.8
381T36.6Very low44.7Very low117 Ų117115.7 Ų115.772%0.71870%0.701SS**  trans-150.1119.5160.1-17.90000110.8
382Q41Very low46.4Very low138 Ų138115.6 Ų115.665%0.64569%0.692SS**  trans50.5113.9158-67.5178.1-8.100120.4A384Q382-A384 PolarHBondContact O-N 2.82Å
383P47.5Very low48.4Very low114 Ų114116.2 Ų116.274%0.7468%0.682SS**Hα-helixtrans-77.5-7.7179.9-10.626.7000116
384A47.9Very low50.5Low70 Ų70112 Ų11258%0.57966%0.662SS**Hα-helixtrans-81.7-47.4-17000000113Q382 Q386 A387Q382-A384 PolarHBondContact O-N 2.82Å; A384-Q386 VanDerWaalsContact C-N 3.29Å; A384-Q386 PolarHBondContact O-N 3.31Å; A384-A387 WeakPolarHBondContact O-CB 3.42Å; A384-A387 PolarHBondContact O-N 3.19Å; A384-A387 VanDerWaalsContact O-N 3.17Å
385D48Very low52.6Low109 Ų109108.9 Ų108.958%0.58365%0.647SS**Hα-helixtrans-72.7-24.8178.3-63.2-16.2000112.4A387 E388 F389D385-A387 PolarHBondContact O-N 3.42Å; D385-E388 PolarHBondContact O-N 2.91Å; D385-F389 VanDerWaalsContact O-CB 3.32Å; D385-F389 WeakPolarHBondContact O-CB 3.31Å; D385-F389 PolarHBondContact O-N 3.18Å
386Q48.7Very low54.5Low126 Ų126104.7 Ų104.759%0.58963%0.626SS**Hα-helixtrans-64.3-28.9172.4-78.1-174.4-5.800112.1A384 T390A384-Q386 VanDerWaalsContact C-N 3.29Å; A384-Q386 PolarHBondContact O-N 3.31Å; Q386-T390 VanDerWaalsContact O-CB 3.27Å; Q386-T390 WeakPolarHBondContact O-CB 3.46Å; Q386-T390 VanDerWaalsContact O-CG2 3.3Å; Q386-T390 WeakPolarHBondContact O-CG2 3.47Å; Q386-T390 PolarHBondContact O-N 2.89Å; Q386-T390 PolarHBondContact O-OG1 2.85Å
387A63.2Low56.8Low58 Ų58105 Ų10548%0.47961%0.611SS.*Hα-helixtrans-72.5-42.9178.500000111.9A384 D385 T390 A391A384-A387 WeakPolarHBondContact O-CB 3.42Å; A384-A387 PolarHBondContact O-N 3.19Å; A384-A387 VanDerWaalsContact O-N 3.17Å; D385-A387 PolarHBondContact O-N 3.42Å; A387-T390 WeakPolarHBondContact CA-OG1 3.36Å; A387-T390 PolarHBondContact O-OG1 3.36Å; A387-T390 VanDerWaalsContact O-OG1 3.05Å; A387-A391 WeakPolarHBondContact O-CB 3.43Å; A387-A391 PolarHBondContact O-N 3.01Å
388E64.7Low58.7Low146 Ų146104.1 Ų104.168%0.68260%0.598SS**Hα-helixtrans-70-41.1175.6-72.2-173.2167.100111.7D385 T390 A391 L392D385-E388 PolarHBondContact O-N 2.91Å; E388-T390 VanDerWaalsContact C-N 3.34Å; E388-T390 PolarHBondContact O-N 2.91Å; E388-A391 PolarHBondContact O-N 3.29Å; E388-L392 PolarHBondContact O-N 3.44Å
389F61.8Low60.8Low138 Ų138104.5 Ų104.561%0.60559%0.587SS**Hα-helixtrans-65.5-37.7176.1-164.8-97000112.2D385 K393D385-F389 VanDerWaalsContact O-CB 3.32Å; D385-F389 WeakPolarHBondContact O-CB 3.31Å; D385-F389 PolarHBondContact O-N 3.18Å; F389-K393 HydrophobicContact CE1-CD 4.45Å; F389-K393 WeakPolarHBondContact O-CB 3.4Å; F389-K393 PolarHBondContact O-N 2.98Å
390T69.9Low62.5Low81 Ų81103.6 Ų103.650%0.49757%0.569SS.*Hα-helixtrans-69.4-37.2172.7460000111.8Q386 A387 E388 K393 T394Q386-T390 VanDerWaalsContact O-CB 3.27Å; Q386-T390 WeakPolarHBondContact O-CB 3.46Å; Q386-T390 VanDerWaalsContact O-CG2 3.3Å; Q386-T390 WeakPolarHBondContact O-CG2 3.47Å; Q386-T390 PolarHBondContact O-N 2.89Å; Q386-T390 PolarHBondContact O-OG1 2.85Å; A387-T390 WeakPolarHBondContact CA-OG1 3.36Å; A387-T390 PolarHBondContact O-OG1 3.36Å; A387-T390 VanDerWaalsContact O-OG1 3.05Å; E388-T390 VanDerWaalsContact C-N 3.34Å; E388-T390 PolarHBondContact O-N 2.91Å; T390-K393 PolarHBondContact O-N 3.32Å; T390-T394 WeakPolarHBondContact O-CB 3.24Å; T390-T394 PolarHBondContact O-N 2.91Å; T390-T394 PolarHBondContact O-OG1 3.03Å
391A77.5Confident64.4Low55 Ų55105.5 Ų105.546%0.45556%0.558SS.*Hα-helixtrans-61.9-49.3174.300000111.9A387 E388 K393 T394 Q395A387-A391 WeakPolarHBondContact O-CB 3.43Å; A387-A391 PolarHBondContact O-N 3.01Å; E388-A391 PolarHBondContact O-N 3.29Å; A391-K393 PolarHBondContact O-N 3.27Å; A391-T394 WeakPolarHBondContact O-CB 3.44Å; A391-T394 PolarHBondContact O-N 3.06Å; A391-T394 VanDerWaalsContact O-N 3.14Å; A391-Q395 PolarHBondContact O-N 3.37Å
392L70.6Confident66.2Low104 Ų104104.8 Ų104.855%0.54555%0.547SS..Hα-helixtrans-62.6-42.6178.6-132.588000111.8E388 T394 Q395 I396E388-L392 PolarHBondContact O-N 3.44Å; L392-T394 VanDerWaalsContact C-N 3.28Å; L392-T394 PolarHBondContact O-N 3.04Å; L392-Q395 PolarHBondContact O-N 2.82Å; L392-I396 WeakPolarHBondContact O-CG1 3.36Å; L392-I396 PolarHBondContact O-N 2.85Å
393K76.2Confident67.8Low116 Ų116101.7 Ų101.750%0.50454%0.537SS..Hα-helixtrans-64-34.9176.5-165175.1-173.7176.90111.8F389 T390 A391 Q397F389-K393 HydrophobicContact CE1-CD 4.45Å; F389-K393 WeakPolarHBondContact O-CB 3.4Å; F389-K393 PolarHBondContact O-N 2.98Å; T390-K393 PolarHBondContact O-N 3.32Å; A391-K393 PolarHBondContact O-N 3.27Å; K393-Q397 WeakPolarHBondContact O-CB 3.41Å; K393-Q397 VanDerWaalsContact O-CG 3.27Å; K393-Q397 WeakPolarHBondContact O-CG 2.92Å; K393-Q397 PolarHBondContact O-N 3.5Å
394T75.1Confident68.9Low80 Ų80100.7 Ų100.749%0.49152%0.522SS..Hα-helixtrans-67.9-41.5174.9-49.70000110.6T390 A391 L392 Q397 Q398T390-T394 WeakPolarHBondContact O-CB 3.24Å; T390-T394 PolarHBondContact O-N 2.91Å; T390-T394 PolarHBondContact O-OG1 3.03Å; A391-T394 WeakPolarHBondContact O-CB 3.44Å; A391-T394 PolarHBondContact O-N 3.06Å; A391-T394 VanDerWaalsContact O-N 3.14Å; L392-T394 VanDerWaalsContact C-N 3.28Å; L392-T394 PolarHBondContact O-N 3.04Å; T394-Q397 PolarHBondContact O-N 2.69Å; T394-Q398 WeakPolarHBondContact O-CB 3.1Å; T394-Q398 PolarHBondContact O-N 3.43Å
395Q74.6Confident69.8Low118 Ų118103.7 Ų103.755%0.55153%0.525SS*.Hα-helixtrans-69-40.9179.7-147.8163.18.100112.2A391 L392 Q398 L399A391-Q395 PolarHBondContact O-N 3.37Å; L392-Q395 PolarHBondContact O-N 2.82Å; Q395-Q398 PolarHBondContact O-N 3.44Å; Q395-L399 WeakPolarHBondContact O-CG 3.38Å; Q395-L399 PolarHBondContact O-N 2.95Å
396I76.5Confident70.5Confident77 Ų77105.1 Ų105.140%0.39553%0.531SS..Hα-helixtrans-63.5-41.6172.8-69.4170.9000111L392 Q398 L399 Q400L392-I396 WeakPolarHBondContact O-CG1 3.36Å; L392-I396 PolarHBondContact O-N 2.85Å; I396-Q398 VanDerWaalsContact C-N 3.28Å; I396-Q398 PolarHBondContact O-N 2.97Å; I396-L399 PolarHBondContact O-N 3.2Å; I396-Q400 HydrophobicContact CG2-CG 4.46Å; I396-Q400 WeakPolarHBondContact O-CB 3.39Å; I396-Q400 WeakPolarHBondContact O-CG 3.42Å; I396-Q400 PolarHBondContact O-N 3.47Å
397Q76.2Confident71.1Confident101 Ų101106.3 Ų106.347%0.47254%0.535SS..Hα-helixtrans-65.6-32.8175.1-78-178.7-0.600112.4K393 T394 K401K393-Q397 WeakPolarHBondContact O-CB 3.41Å; K393-Q397 VanDerWaalsContact O-CG 3.27Å; K393-Q397 WeakPolarHBondContact O-CG 2.92Å; K393-Q397 PolarHBondContact O-N 3.5Å; T394-Q397 PolarHBondContact O-N 2.69Å; Q397-K401 WeakPolarHBondContact O-CB 3.47Å; Q397-K401 WeakPolarHBondContact O-CG 3.45Å; Q397-K401 PolarHBondContact O-N 3.36Å
398Q75.9Confident70.6Confident123 Ų123110.4 Ų110.458%0.57554%0.542SS*.Hα-helixtrans-71.9-44.8177.8-155.9165.85.800111.1T394 Q395 I396 K401 E402T394-Q398 WeakPolarHBondContact O-CB 3.1Å; T394-Q398 PolarHBondContact O-N 3.43Å; Q395-Q398 PolarHBondContact O-N 3.44Å; I396-Q398 VanDerWaalsContact C-N 3.28Å; I396-Q398 PolarHBondContact O-N 2.97Å; Q398-K401 CarbonylContact O-C 3.54Å; Q398-K401 WeakPolarHBondContact O-CB 3.4Å; Q398-K401 PolarHBondContact O-N 3.49Å; Q398-K401 VanDerWaalsContact O-N 3.15Å; Q398-E402 PolarHBondContact O-N 3.24Å
399L74.4Confident69.3Low99 Ų99111.4 Ų111.452%0.51855%0.546SS..Hα-helixtrans-63.5-41.6172.8-74.1166.5000112Q395 I396 K401 E402 V403Q395-L399 WeakPolarHBondContact O-CG 3.38Å; Q395-L399 PolarHBondContact O-N 2.95Å; I396-L399 PolarHBondContact O-N 3.2Å; L399-K401 VanDerWaalsContact C-N 3.29Å; L399-K401 PolarHBondContact O-N 2.63Å; L399-E402 PolarHBondContact O-N 3.3Å; L399-V403 WeakPolarHBondContact O-CB 3.38Å; L399-V403 VanDerWaalsContact O-CG2 3.3Å; L399-V403 WeakPolarHBondContact O-CG2 3.38Å; L399-V403 PolarHBondContact O-N 3.13Å
400Q73.7Confident68.1Low105 Ų105109.8 Ų109.849%0.49155%0.549SS..Hα-helixtrans-62.8-37173-79.5-176.2-15.100111.9I396 Q404I396-Q400 HydrophobicContact CG2-CG 4.46Å; I396-Q400 WeakPolarHBondContact O-CB 3.39Å; I396-Q400 WeakPolarHBondContact O-CG 3.42Å; I396-Q400 PolarHBondContact O-N 3.47Å; Q400-Q404 VanDerWaalsContact O-CB 3.22Å; Q400-Q404 WeakPolarHBondContact O-CB 3.42Å; Q400-Q404 VanDerWaalsContact O-CG 3.24Å; Q400-Q404 WeakPolarHBondContact O-CG 3.42Å; Q400-Q404 PolarHBondContact O-N 2.93Å
401K73.5Confident66.5Low140 Ų140112.7 Ų112.761%0.60957%0.568SS**Hα-helixtrans-68.2-39.5173.7-83.6178.4178.7176.50111.9Q397 Q398 L399 Q404 Q405Q397-K401 WeakPolarHBondContact O-CB 3.47Å; Q397-K401 WeakPolarHBondContact O-CG 3.45Å; Q397-K401 PolarHBondContact O-N 3.36Å; Q398-K401 CarbonylContact O-C 3.54Å; Q398-K401 WeakPolarHBondContact O-CB 3.4Å; Q398-K401 PolarHBondContact O-N 3.49Å; Q398-K401 VanDerWaalsContact O-N 3.15Å; L399-K401 VanDerWaalsContact C-N 3.29Å; L399-K401 PolarHBondContact O-N 2.63Å; K401-Q404 CarbonylContact O-C 3.53Å; K401-Q404 PolarHBondContact O-N 3.34Å; K401-Q405 VanDerWaalsContact O-CB 3.3Å; K401-Q405 WeakPolarHBondContact O-CB 3.42Å; K401-Q405 VanDerWaalsContact O-CG 3.27Å; K401-Q405 WeakPolarHBondContact O-CG 3.34Å; K401-Q405 PolarHBondContact O-N 2.85Å
402E73.8Confident64.5Low103 Ų103115 Ų11548%0.48158%0.576SS.*Hα-helixtrans-66.2-45.6175-84.2-177.7160.400111.9Q398 L399 Q404 Q405 L406Q398-E402 PolarHBondContact O-N 3.24Å; L399-E402 PolarHBondContact O-N 3.3Å; E402-Q404 VanDerWaalsContact C-N 3.29Å; E402-Q404 PolarHBondContact O-N 2.91Å; E402-Q405 PolarHBondContact O-N 3.44Å; E402-Q405 VanDerWaalsContact O-N 3.1Å; E402-L406 WeakPolarHBondContact O-CB 3.46Å; E402-L406 WeakPolarHBondContact O-CG 3.4Å; E402-L406 PolarHBondContact O-N 3.04Å
403V74.1Confident62.8Low72 Ų72118.2 Ų118.244%0.43659%0.588SS.*Hα-helixtrans-64-37.1175.4174.70000110.8L399 K407L399-V403 WeakPolarHBondContact O-CB 3.38Å; L399-V403 VanDerWaalsContact O-CG2 3.3Å; L399-V403 WeakPolarHBondContact O-CG2 3.38Å; L399-V403 PolarHBondContact O-N 3.13Å; V403-K407 HydrophobicContact CG1-CD 4.5Å; V403-K407 WeakPolarHBondContact O-CB 3.42Å; V403-K407 WeakPolarHBondContact O-CG 3.3Å; V403-K407 PolarHBondContact O-N 3.48Å
404Q70.6Confident60.7Low93 Ų93120.8 Ų120.844%0.43560%0.599SS.*Hα-helixtrans-70.5-33.7172.1-77.8-171.526.600112.9Q400 K401 E402 K407 K408Q400-Q404 VanDerWaalsContact O-CB 3.22Å; Q400-Q404 WeakPolarHBondContact O-CB 3.42Å; Q400-Q404 VanDerWaalsContact O-CG 3.24Å; Q400-Q404 WeakPolarHBondContact O-CG 3.42Å; Q400-Q404 PolarHBondContact O-N 2.93Å; K401-Q404 CarbonylContact O-C 3.53Å; K401-Q404 PolarHBondContact O-N 3.34Å; E402-Q404 VanDerWaalsContact C-N 3.29Å; E402-Q404 PolarHBondContact O-N 2.91Å; Q404-K407 CarbonylContact O-C 3.53Å; Q404-K407 PolarHBondContact O-N 3.15Å; Q404-K408 WeakPolarHBondContact O-CA 3.34Å; Q404-K408 WeakPolarHBondContact O-CB 3.36Å; Q404-K408 WeakPolarHBondContact O-CG 3.39Å; Q404-K408 PolarHBondContact O-N 3.42Å; Q404-K408 VanDerWaalsContact OE1-NZ 3.17Å
405Q66.7Low58.8Low134 Ų134124.1 Ų124.163%0.62661%0.609SS**Hα-helixtrans-70.9-38.1175.6-81.6177.6-10.500111.3K401 E402 K407 K408 Q409K401-Q405 VanDerWaalsContact O-CB 3.3Å; K401-Q405 WeakPolarHBondContact O-CB 3.42Å; K401-Q405 VanDerWaalsContact O-CG 3.27Å; K401-Q405 WeakPolarHBondContact O-CG 3.34Å; K401-Q405 PolarHBondContact O-N 2.85Å; E402-Q405 PolarHBondContact O-N 3.44Å; E402-Q405 VanDerWaalsContact O-N 3.1Å; Q405-K407 VanDerWaalsContact C-N 3.3Å; Q405-K407 PolarHBondContact O-N 3.24Å; Q405-K408 CarbonylContact O-C 3.6Å; Q405-K408 PolarHBondContact O-N 2.82Å; Q405-Q409 PolarHBondContact O-N 2.96Å
406L62.7Low56.9Low138 Ų138125.9 Ų125.972%0.72362%0.617SS**Hα-helixtrans-64.9-34.2170.7-72.9160.9000111.6E402E402-L406 WeakPolarHBondContact O-CB 3.46Å; E402-L406 WeakPolarHBondContact O-CG 3.4Å; E402-L406 PolarHBondContact O-N 3.04Å
407K60.7Low54.7Low152 Ų152132.4 Ų132.466%0.66164%0.637SS**Hα-helixtrans-81.3-16.2172.2-75.3-177.2177.5-1790114.5V403 Q404 Q405V403-K407 HydrophobicContact CG1-CD 4.5Å; V403-K407 WeakPolarHBondContact O-CB 3.42Å; V403-K407 WeakPolarHBondContact O-CG 3.3Å; V403-K407 PolarHBondContact O-N 3.48Å; Q404-K407 CarbonylContact O-C 3.53Å; Q404-K407 PolarHBondContact O-N 3.15Å; Q405-K407 VanDerWaalsContact C-N 3.3Å; Q405-K407 PolarHBondContact O-N 3.24Å
408K54.2Low52.7Low144 Ų144136.7 Ų136.763%0.62665%0.654SS**Hα-helixtrans-111.66.9-176.3-73.6174.6175.91680113.6Q404 Q405 P410Q404-K408 WeakPolarHBondContact O-CA 3.34Å; Q404-K408 WeakPolarHBondContact O-CB 3.36Å; Q404-K408 WeakPolarHBondContact O-CG 3.39Å; Q404-K408 PolarHBondContact O-N 3.42Å; Q404-K408 VanDerWaalsContact OE1-NZ 3.17Å; Q405-K408 CarbonylContact O-C 3.6Å; Q405-K408 PolarHBondContact O-N 2.82Å; K408-P410 WeakPolarHBondContact O-CD 3.45Å; K408-P410 WeakPolarHBondContact O-CG 3.35Å
409Q36Very low50.9Low167 Ų167137.2 Ų137.278%0.7867%0.666SS**  trans-65.8109.9154.8-106.1-176.31.900107.6Q405Q405-Q409 PolarHBondContact O-N 2.96Å
410P38.1Very low49Very low103 Ų103136.9 Ų136.967%0.66968%0.678SS**  trans-101.3113.5-178.925-4.5000108K408 V412K408-P410 WeakPolarHBondContact O-CD 3.45Å; K408-P410 WeakPolarHBondContact O-CG 3.35Å; P410-V412 PolarHBondContact O-N 2.65Å
411T36.1Very low47.3Very low143 Ų143137.3 Ų137.388%0.87769%0.689SS**  trans-75.391.3132.926.90000106.5
412V35.6Very low45.5Very low104 Ų104140.3 Ų140.363%0.6370%0.702SS**  23.4121.6123.5-173.50000113P410P410-V412 PolarHBondContact O-N 2.65Å
413E34.7Very low43.7Very low170 Ų170145.1 Ų145.179%0.79472%0.722SS**  cis-164.2153.614.7-120.6161.9167.300108.1
414K32.7Very low42Very low171 Ų171148.6 Ų148.674%0.74374%0.743SS**  trans-14.1148144-76.3165.8152.6-137.30115.2
415E34.1Very low40.9Very low150 Ų150148.5 Ų148.570%0.70176%0.758SS**  cis-173.417041.8-133.9149.3-142.800110.4
416E34.2Very low40Very low154 Ų154146 Ų14672%0.7276%0.756SS**  trans-51.8150.4-173.3-64.6171.3122.800119.2
417R31.9Very low39.9Very low214 Ų214145.4 Ų145.481%0.80876%0.758SS**  trans53.2106.6138.1-69.5175.3170-179.6-2.2117.8
418K33.5Very low40.2Very low191 Ų191139.3 Ų139.383%0.8373%0.731SS**  169.7140.5108.2-91.2161.9-175.9178.30111.2
419T37.3Very low40.9Very low135 Ų135143.6 Ų143.683%0.82874%0.743SS**  trans62.5120.1150.952.20000119.2
420A34.7Very low42.7Very low92 Ų92137.2 Ų137.276%0.7672%0.716SS**  trans-52172.9161.800000113.3
421P38.6Very low44.5Very low113 Ų113134.5 Ų134.573%0.73470%0.698SS**  cis-130.2165.4-36.432.8-16.6000111.8
422K36.1Very low46.5Very low203 Ų203130.5 Ų130.588%0.88367%0.673SS**  trans176.4121.7142.6-98.7158.8-173.6-176.70112
423K36Very low48.6Very low205 Ų205133.7 Ų133.789%0.89168%0.681SS**  trans28.2101.5157.4-59.8-174.6178.3-173.20117.3A425K423-A425 PolarHBondContact O-N 3.15Å
424T37.5Very low50.8Low145 Ų145130.4 Ų130.489%0.8966%0.662SS**PPolyproline II helixtrans-60123.5163.738.70000110.6
425A46.7Very low53Low91 Ų91122.3 Ų122.375%0.75263%0.626SS**PPolyproline II helixtrans-69.5138.9169.700000110.4K423K423-A425 PolarHBondContact O-N 3.15Å
426S49.3Very low55.3Low82 Ų82117.4 Ų117.457%0.57360%0.602SS**PPolyproline II helixtrans-52.7134170.9148.20000111.1E489S426-E489 WeakPolarHBondContact CA-OE1 3.34Å; S426-E489 VanDerWaalsContact CB-OE1 3.26Å; S426-E489 WeakPolarHBondContact CB-OE1 3.24Å; S426-E489 VanDerWaalsContact CB-OE2 3.26Å; S426-E489 WeakPolarHBondContact CB-OE2 3.2Å; S426-E489 VanDerWaalsContact OG-CD 3.23Å; S426-E489 PolarHBondContact OG-OE1 3.19Å; S426-E489 PolarHBondContact OG-OE2 3.3Å
427T59.9Low57.6Low125 Ų125114.5 Ų114.577%0.76759%0.588SS**  trans-98.5-8.4-178.4-3.20000113R429 E489T427-R429 PolarHBondContact O-N 3.21Å; T427-E489 PolarHBondContact N-OE1 2.96Å
428Y67Low59.9Low24 Ų24104.3 Ų104.39%0.09455%0.55CS.*  trans-78.9116.5179.6-170.1-121.2000111.9V430 E489 C492 Q493 D496 F522 T524Y428-V430 HydrophobicContact CD1-CG2 3.99Å; Y428-V430 HydrophobicContact CE1-CG2 4.29Å; Y428-V430 PolarHBondContact O-N 3.41Å; Y428-E489 WeakPolarHBondContact CB-OE1 3.43Å; Y428-E489 PolarHBondContact N-OE1 2.88Å; Y428-C492 VanDerWaalsContact CE1-SG 3.5Å; Y428-Q493 HydrophobicContact CD2-CB 4.49Å; Y428-Q493 HydrophobicContact CD2-CG 3.33Å; Y428-Q493 HydrophobicContact CE2-CG 3.97Å; Y428-Q493 HydrophobicContact CG-CG 3.91Å; Y428-D496 HydrophobicContact CE2-CB 4.32Å; Y428-D496 WeakPolarHBondContact CE2-OD2 3.41Å; Y428-D496 VanDerWaalsContact OH-CG 3.22Å; Y428-D496 PolarHBondContact OH-OD2 2.94Å; Y428-F522 PolarHBondContact OH-O 2.88Å; Y428-T524 HydrophobicContact CD1-CG2 4.49Å
429R68.2Low62.1Low234 Ų23496.5 Ų96.588%0.88352%0.517SS*.  trans-81.1103.9170.7-80.4-175.2174.8174.9-1.1109.5T427T427-R429 PolarHBondContact O-N 3.21Å
430V74.4Confident64.1Low33 Ų3392.6 Ų92.620%0.250%0.495CS..  trans-66.2124.6176.1-172.30000110.1Y428 T432 I523 L531Y428-V430 HydrophobicContact CD1-CG2 3.99Å; Y428-V430 HydrophobicContact CE1-CG2 4.29Å; Y428-V430 PolarHBondContact O-N 3.41Å; V430-T432 PolarHBondContact O-N 3.37Å; V430-T432 PolarHBondContact O-OG1 3.19Å; V430-I523 HydrophobicContact CG1-CB 4.13Å; V430-I523 HydrophobicContact CG1-CG2 3.66Å; V430-L531 HydrophobicContact CG1-CD1 3.79Å
431P76.6Confident66.4Low46 Ų4691.3 Ų91.330%0.29947%0.473SS..  trans-73.586-177.128.2-33.9000111.7E433 R434 V435 V521P431-E433 PolarHBondContact O-N 3.14Å; P431-R434 PolarHBondContact O-N 3.21Å; P431-V435 WeakPolarHBondContact O-CG2 3.34Å; P431-V435 PolarHBondContact O-N 2.8Å; P431-V521 HydrophobicContact CG-CG1 4.1Å
432T77.7Confident68.5Low59 Ų5987.7 Ų87.736%0.36245%0.453SS..Hα-helixtrans-62.2-41-170.2-32.90000113.4V430 R434 V435 Y436 L531V430-T432 PolarHBondContact O-N 3.37Å; V430-T432 PolarHBondContact O-OG1 3.19Å; T432-R434 PolarHBondContact O-N 2.96Å; T432-V435 PolarHBondContact O-N 3.48Å; T432-Y436 HydrophobicContact CG2-CD2 4.32Å; T432-Y436 HydrophobicContact CG2-CE1 4.32Å; T432-Y436 HydrophobicContact CG2-CE2 3.61Å; T432-Y436 PolarHBondContact O-N 3.12Å; T432-Y436 VanDerWaalsContact O-N 3.1Å; T432-L531 HydrophobicContact CG2-CD2 3.58Å
433E80.1Confident70.7Confident171 Ų17181.1 Ų81.180%0.79943%0.43SS*.Hα-helixtrans-63-44-178.2-68.3-175.916800112.4P431 V435 Y436 Q437P431-E433 PolarHBondContact O-N 3.14Å; E433-V435 VanDerWaalsContact C-N 3.33Å; E433-V435 PolarHBondContact O-N 3.13Å; E433-Y436 PolarHBondContact O-N 2.8Å; E433-Q437 PolarHBondContact O-N 3.34Å
434R79.7Confident72.8Confident101 Ų10179.3 Ų79.338%0.38142%0.422SS..Hα-helixtrans-66.6-36177.8-73.5-169.4166.8-160.9-14.3112.2P431 T432 Y436 Q437 V438 E519 V521P431-R434 PolarHBondContact O-N 3.21Å; T432-R434 PolarHBondContact O-N 2.96Å; R434-Y436 VanDerWaalsContact C-N 3.34Å; R434-Y436 PolarHBondContact O-N 3.47Å; R434-Q437 PolarHBondContact O-N 3.12Å; R434-V438 WeakPolarHBondContact O-CG2 3.41Å; R434-V438 PolarHBondContact O-N 2.97Å; R434-E519 IonicContact CZ-OE1 3.2Å; R434-E519 IonicContact CZ-OE2 3.99Å; R434-E519 IonicContact NH1-OE1 2.74Å; R434-E519 PolarHBondContact NH1-OE1 3.34Å; R434-E519 IonicContact NH2-OE1 2.9Å; R434-E519 PolarHBondContact NH2-OE1 2.87Å; R434-E519 IonicContact NH2-OE2 3.62Å; R434-V521 HydrophobicContact CB-CG1 4.28Å; R434-V521 HydrophobicContact CB-CG2 3.91Å
435V79.9Confident74.9Confident0 Ų078.4 Ų78.40%041%0.412CS..Hα-helixtrans-61.4-43.2174.3171.80000111P431 T432 E433 Q437 V438 L439 L483 V521 I523 W528 L531P431-V435 WeakPolarHBondContact O-CG2 3.34Å; P431-V435 PolarHBondContact O-N 2.8Å; T432-V435 PolarHBondContact O-N 3.48Å; E433-V435 VanDerWaalsContact C-N 3.33Å; E433-V435 PolarHBondContact O-N 3.13Å; V435-Q437 VanDerWaalsContact C-N 3.34Å; V435-V438 PolarHBondContact O-N 3.28Å; V435-L439 HydrophobicContact CG1-CD1 4.13Å; V435-L439 WeakPolarHBondContact O-CG 3.33Å; V435-L439 PolarHBondContact O-N 3.31Å; V435-L483 HydrophobicContact CB-CD1 3.99Å; V435-L483 HydrophobicContact CG1-CD1 3.56Å; V435-L483 HydrophobicContact CG2-CD1 3.75Å; V435-V521 HydrophobicContact CG2-CG1 3.81Å; V435-I523 HydrophobicContact CG2-CG2 3.63Å; V435-W528 HydrophobicContact CG1-CZ3 4.47Å; V435-L531 HydrophobicContact CG1-CB 4.31Å; V435-L531 HydrophobicContact CG1-CD1 4.32Å; V435-L531 HydrophobicContact CG2-CD1 4.45Å
436Y83Confident76.6Confident47 Ų4776.8 Ų76.818%0.18439%0.389CS..Hα-helixtrans-66.5-35.6176.3-64.2-27.2000112.8T432 E433 R434 L439 S440 A534 F535T432-Y436 HydrophobicContact CG2-CD2 4.32Å; T432-Y436 HydrophobicContact CG2-CE1 4.32Å; T432-Y436 HydrophobicContact CG2-CE2 3.61Å; T432-Y436 PolarHBondContact O-N 3.12Å; T432-Y436 VanDerWaalsContact O-N 3.1Å; E433-Y436 PolarHBondContact O-N 2.8Å; R434-Y436 VanDerWaalsContact C-N 3.34Å; R434-Y436 PolarHBondContact O-N 3.47Å; Y436-L439 HydrophobicContact CD1-CD1 4.37Å; Y436-L439 PolarHBondContact O-N 3.4Å; Y436-S440 WeakPolarHBondContact O-CB 3.37Å; Y436-S440 PolarHBondContact O-N 3.44Å; Y436-A534 VanDerWaalsContact OH-CB 3.22Å; Y436-A534 WeakPolarHBondContact OH-CB 3.26Å; Y436-F535 HydrophobicContact CD1-CB 3.75Å; Y436-F535 AromaticContact CD1-CD2 3.46Å; Y436-F535 HydrophobicContact CD1-CD2 3.46Å; Y436-F535 VanDerWaalsContact CD1-CD2 3.46Å; Y436-F535 HydrophobicContact CD1-CE2 4.46Å; Y436-F535 HydrophobicContact CD1-CG 4.02Å; Y436-F535 HydrophobicContact CE1-CB 3.71Å; Y436-F535 HydrophobicContact CE1-CD2 4.2Å; Y436-F535 HydrophobicContact CE1-CG 4.45Å; Y436-F535 AromaticContact CG-CD2 3.84Å; Y436-F535 HydrophobicContact CG-CD2 3.84Å; Y436-F535 WeakPolarHBondContact O-CE2 3.28Å
437Q81.5Confident78.3Confident94 Ų9474.6 Ų74.644%0.43937%0.371SS..Hα-helixtrans-62.2-47173.1-164.6178.8-4.700111.3E433 R434 V435 L439 S440 E441 L481E433-Q437 PolarHBondContact O-N 3.34Å; R434-Q437 PolarHBondContact O-N 3.12Å; V435-Q437 VanDerWaalsContact C-N 3.34Å; Q437-L439 VanDerWaalsContact C-N 3.32Å; Q437-L439 PolarHBondContact O-N 3.47Å; Q437-S440 PolarHBondContact O-N 3.5Å; Q437-S440 VanDerWaalsContact O-N 3.1Å; Q437-S440 PolarHBondContact O-OG 3.4Å; Q437-E441 PolarHBondContact O-N 2.79Å; Q437-L481 HydrophobicContact CB-CD1 4.06Å; Q437-L481 HydrophobicContact CG-CD1 3.6Å
438V79.9Confident79.5Confident0 Ų072.7 Ų72.70%036%0.355CS..Hα-helixtrans-57.7-47.2175.4-173.20000110.5R434 V435 S440 E441 A442 A476 L481 L483 V521R434-V438 WeakPolarHBondContact O-CG2 3.41Å; R434-V438 PolarHBondContact O-N 2.97Å; V435-V438 PolarHBondContact O-N 3.28Å; V438-S440 PolarHBondContact O-N 2.91Å; V438-E441 PolarHBondContact O-N 3.39Å; V438-A442 WeakPolarHBondContact O-CA 3.29Å; V438-A442 WeakPolarHBondContact O-CB 3.47Å; V438-A442 PolarHBondContact O-N 3.35Å; V438-A476 HydrophobicContact CG1-CB 4.03Å; V438-L481 HydrophobicContact CB-CB 4.32Å; V438-L481 HydrophobicContact CG1-CB 4.38Å; V438-L481 HydrophobicContact CG2-CB 3.67Å; V438-L481 HydrophobicContact CG2-CD1 4.44Å; V438-L481 HydrophobicContact CG2-CD2 4.37Å; V438-L481 HydrophobicContact CG2-CG 4.4Å; V438-L483 HydrophobicContact CB-CB 4.43Å; V438-L483 HydrophobicContact CG1-CB 3.94Å; V438-L483 HydrophobicContact CG2-CB 4.39Å; V438-V521 HydrophobicContact CG2-CB 4.38Å; V438-V521 HydrophobicContact CG2-CG2 3.88Å
439L79.9Confident80.4Confident26 Ų2673.3 Ų73.314%0.13636%0.363CS..Hα-helixtrans-63-27.3-180-77.1171.2000113.5V435 Y436 Q437 W528 F535V435-L439 HydrophobicContact CG1-CD1 4.13Å; V435-L439 WeakPolarHBondContact O-CG 3.33Å; V435-L439 PolarHBondContact O-N 3.31Å; Y436-L439 HydrophobicContact CD1-CD1 4.37Å; Y436-L439 PolarHBondContact O-N 3.4Å; Q437-L439 VanDerWaalsContact C-N 3.32Å; Q437-L439 PolarHBondContact O-N 3.47Å; L439-W528 HydrophobicContact CD1-CZ3 4.41Å; L439-W528 HydrophobicContact CD2-CH2 3.68Å; L439-W528 HydrophobicContact CD2-CZ3 4.26Å; L439-W528 HydrophobicContact CG-CH2 4.42Å; L439-F535 HydrophobicContact CB-CD1 3.87Å; L439-F535 HydrophobicContact CB-CD2 4.15Å; L439-F535 HydrophobicContact CB-CE1 3.73Å; L439-F535 HydrophobicContact CB-CE2 4Å; L439-F535 HydrophobicContact CB-CG 4.07Å; L439-F535 HydrophobicContact CB-CZ 3.79Å; L439-F535 HydrophobicContact CD1-CB 3.75Å; L439-F535 HydrophobicContact CD1-CD1 4Å; L439-F535 HydrophobicContact CD1-CD2 4.25Å; L439-F535 HydrophobicContact CD1-CG 3.74Å; L439-F535 HydrophobicContact CG-CD1 4.47Å
440S79.7Confident81.1Confident53 Ų5362.2 Ų62.237%0.37132%0.321SS..Hα-helixtrans-78.4-27.4179.275.90000114.1Y436 Q437 V438Y436-S440 WeakPolarHBondContact O-CB 3.37Å; Y436-S440 PolarHBondContact O-N 3.44Å; Q437-S440 PolarHBondContact O-N 3.5Å; Q437-S440 VanDerWaalsContact O-N 3.1Å; Q437-S440 PolarHBondContact O-OG 3.4Å; V438-S440 PolarHBondContact O-N 2.91Å
441E82.8Confident81.7Confident65 Ų6565.7 Ų65.730%0.30433%0.334SS..Hα-helixtrans-106.9-10.4-178.4-66.2172.2-168.700112.7Q437 V438 T443 P479Q437-E441 PolarHBondContact O-N 2.79Å; V438-E441 PolarHBondContact O-N 3.39Å; E441-T443 PolarHBondContact O-N 3.42Å; E441-P479 WeakPolarHBondContact O-CD 3.48Å
442A81.9Confident82.2Confident37 Ų3769.5 Ų69.531%0.30635%0.351SS..  trans-62.5132.8-177.700000111.5V438 A476 A477V438-A442 WeakPolarHBondContact O-CA 3.29Å; V438-A442 WeakPolarHBondContact O-CB 3.47Å; V438-A442 PolarHBondContact O-N 3.35Å; A442-A476 HydrophobicContact CB-CB 4.14Å; A442-A477 VanDerWaalsContact CA-O 3.28Å; A442-A477 WeakPolarHBondContact CA-O 3.25Å
443T82.6Confident82.6Confident66 Ų6668 Ų6841%0.40534%0.342SS..  trans-126.9144.7176.141.50000109.7E441 D445 H446 L447 A477E441-T443 PolarHBondContact O-N 3.42Å; T443-D445 PolarHBondContact O-N 3.37Å; T443-H446 PolarHBondContact O-N 3.29Å; T443-H446 PolarHBondContact OG1-ND1 2.91Å; T443-L447 PolarHBondContact O-N 3.06Å; T443-A477 PolarHBondContact N-O 3.11Å; T443-A477 VanDerWaalsContact N-O 3.08Å
444K80.6Confident83Confident167 Ų16760.8 Ų60.873%0.72631%0.308SS*.Hα-helixtrans-59.2-34.8-177.2-165.6177.3179.6178.30111.8L447 L448K444-L447 PolarHBondContact O-N 3.21Å; K444-L448 HydrophobicContact CG-CD1 4.04Å; K444-L448 WeakPolarHBondContact O-CB 3.44Å; K444-L448 WeakPolarHBondContact O-CG 3.49Å; K444-L448 PolarHBondContact O-N 2.88Å
445D81.3Confident83.3Confident126 Ų12662 Ų6267%0.67432%0.318SS*.Hα-helixtrans-64.5-41.8179.2-62.2-27.1000112.5T443 L448 S449T443-D445 PolarHBondContact O-N 3.37Å; D445-L448 PolarHBondContact O-N 2.94Å; D445-S449 WeakPolarHBondContact O-CB 3.42Å; D445-S449 PolarHBondContact O-N 2.82Å; D445-S449 PolarHBondContact O-OG 3.16Å
446H83.2Confident83.6Confident56 Ų5666.2 Ų66.226%0.25934%0.34SS..Hα-helixtrans-68.4-36.6175.7-75.387.3000111.9T443 S449 V450 A477 Y516T443-H446 PolarHBondContact O-N 3.29Å; T443-H446 PolarHBondContact OG1-ND1 2.91Å; H446-S449 WeakPolarHBondContact CA-OG 3.41Å; H446-S449 PolarHBondContact O-OG 3.36Å; H446-V450 WeakPolarHBondContact O-CB 3.34Å; H446-V450 VanDerWaalsContact O-CG2 3.23Å; H446-V450 WeakPolarHBondContact O-CG2 3.45Å; H446-V450 PolarHBondContact O-N 2.8Å; H446-V450 VanDerWaalsContact O-N 3.1Å; H446-A477 HydrophobicContact CB-CB 4.03Å; H446-A477 WeakPolarHBondContact CB-O 3.42Å; H446-Y516 AromaticContact CD2-CE2 3.72Å
447L85.2Confident83.8Confident37 Ų3764 Ų6419%0.19433%0.332CS..Hα-helixtrans-67.1-40.6176.4-174.864000111.6T443 K444 K451 P474 A477T443-L447 PolarHBondContact O-N 3.06Å; K444-L447 PolarHBondContact O-N 3.21Å; L447-K451 HydrophobicContact CG-CD 4.38Å; L447-K451 WeakPolarHBondContact O-CB 3.36Å; L447-K451 WeakPolarHBondContact O-CG 3.43Å; L447-K451 PolarHBondContact O-N 2.87Å; L447-P474 HydrophobicContact CD1-CB 4.46Å; L447-A477 HydrophobicContact CB-CB 4.49Å; L447-A477 HydrophobicContact CD1-CB 4.47Å
448L85.1Confident84.1Confident84 Ų8460.2 Ų60.244%0.4431%0.314SS..Hα-helixtrans-66.5-43.7176.9-79.1161.4000111.8K444 D445 V450 K451 N452K444-L448 HydrophobicContact CG-CD1 4.04Å; K444-L448 WeakPolarHBondContact O-CB 3.44Å; K444-L448 WeakPolarHBondContact O-CG 3.49Å; K444-L448 PolarHBondContact O-N 2.88Å; D445-L448 PolarHBondContact O-N 2.94Å; L448-V450 VanDerWaalsContact C-N 3.32Å; L448-V450 PolarHBondContact O-N 3.27Å; L448-K451 PolarHBondContact O-N 3.12Å; L448-N452 WeakPolarHBondContact O-CB 3.47Å; L448-N452 PolarHBondContact O-N 3.36Å; L448-N452 PolarHBondContact O-ND2 3.23Å; L448-N452 PolarHBondContact O-OD1 3.45Å
449S84.1Confident84.4Confident38 Ų3865.6 Ų65.627%0.26634%0.341SS..Hα-helixtrans-61.6-41.5177.966.20000111.9D445 H446 V453D445-S449 WeakPolarHBondContact O-CB 3.42Å; D445-S449 PolarHBondContact O-N 2.82Å; D445-S449 PolarHBondContact O-OG 3.16Å; H446-S449 WeakPolarHBondContact CA-OG 3.41Å; H446-S449 PolarHBondContact O-OG 3.36Å; S449-V453 WeakPolarHBondContact O-CG2 3.33Å; S449-V453 PolarHBondContact O-N 2.87Å
450V84.6Confident84.8Confident1 Ų167.1 Ų67.11%0.00636%0.357CS..Hα-helixtrans-67.8-45.3175.9167.70000111.8H446 L448 N452 V453 W454 P474 A477 M482 I513 Y516H446-V450 WeakPolarHBondContact O-CB 3.34Å; H446-V450 VanDerWaalsContact O-CG2 3.23Å; H446-V450 WeakPolarHBondContact O-CG2 3.45Å; H446-V450 PolarHBondContact O-N 2.8Å; H446-V450 VanDerWaalsContact O-N 3.1Å; L448-V450 VanDerWaalsContact C-N 3.32Å; L448-V450 PolarHBondContact O-N 3.27Å; V450-N452 VanDerWaalsContact C-N 3.3Å; V450-N452 PolarHBondContact O-N 2.84Å; V450-V453 CarbonylContact O-C 3.56Å; V450-V453 PolarHBondContact O-N 3.11Å; V450-V453 VanDerWaalsContact O-N 3.15Å; V450-W454 HydrophobicContact CG1-CE3 4.26Å; V450-W454 PolarHBondContact O-N 3.08Å; V450-P474 HydrophobicContact CG1-CB 3.98Å; V450-P474 HydrophobicContact CG1-CG 4.18Å; V450-A477 HydrophobicContact CG2-CB 4.17Å; V450-M482 HydrophobicContact CB-CE 4.5Å; V450-M482 HydrophobicContact CG1-CE 3.22Å; V450-M482 HydrophobicContact CG1-SD 3.76Å; V450-M482 HydrophobicContact CG2-SD 4.12Å; V450-I513 HydrophobicContact CG2-CD1 4.12Å; V450-Y516 HydrophobicContact CG2-CE1 3.69Å
451K86.7Confident85.1Confident106 Ų10665 Ų6546%0.46134%0.342SS..Hα-helixtrans-61.6-38.8179.5-82.6-173175.2-168.90112.3L447 L448 V453 W454 P474L447-K451 HydrophobicContact CG-CD 4.38Å; L447-K451 WeakPolarHBondContact O-CB 3.36Å; L447-K451 WeakPolarHBondContact O-CG 3.43Å; L447-K451 PolarHBondContact O-N 2.87Å; L448-K451 PolarHBondContact O-N 3.12Å; K451-V453 PolarHBondContact O-N 3.21Å; K451-W454 PolarHBondContact O-N 2.92Å; K451-P474 WeakPolarHBondContact CE-O 3.34Å; K451-P474 HydrophobicContact CG-CG 3.93Å
452N86.8Confident85.3Confident125 Ų12564.9 Ų64.967%0.66835%0.346SS*.Hα-helixtrans-64.4-25.9178.1-72.3-10.7000113.2L448 V450L448-N452 WeakPolarHBondContact O-CB 3.47Å; L448-N452 PolarHBondContact O-N 3.36Å; L448-N452 PolarHBondContact O-ND2 3.23Å; L448-N452 PolarHBondContact O-OD1 3.45Å; V450-N452 VanDerWaalsContact C-N 3.3Å; V450-N452 PolarHBondContact O-N 2.84Å
453V87.2Confident85.4Confident27 Ų2768 Ų6816%0.16436%0.362CS..Hα-helixtrans-105.4-5.7-175.3176.60000111.7S449 V450 K451 E455 D456 L457 M512 I513S449-V453 WeakPolarHBondContact O-CG2 3.33Å; S449-V453 PolarHBondContact O-N 2.87Å; V450-V453 CarbonylContact O-C 3.56Å; V450-V453 PolarHBondContact O-N 3.11Å; V450-V453 VanDerWaalsContact O-N 3.15Å; K451-V453 PolarHBondContact O-N 3.21Å; V453-E455 PolarHBondContact O-N 3.4Å; V453-D456 PolarHBondContact O-N 3.1Å; V453-L457 WeakPolarHBondContact O-CB 3.36Å; V453-L457 PolarHBondContact O-N 3.44Å; V453-M512 HydrophobicContact CG1-CB 3.44Å; V453-M512 VanDerWaalsContact CG1-CB 3.44Å; V453-M512 HydrophobicContact CG1-CG 3.85Å; V453-M512 HydrophobicContact CG1-SD 3.18Å; V453-M512 WeakPolarHBondContact CG1-SD 3.25Å; V453-I513 HydrophobicContact CG2-CG1 4.44Å
454W86.8Confident85.5Confident20 Ų2069.9 Ų69.98%0.07637%0.373CS..Hα-helixtrans-61.5-43.7-171.2-170.4-109.9000113.2V450 K451 L457 L458 L469 S472 P474 M482 I484 M505V450-W454 HydrophobicContact CG1-CE3 4.26Å; V450-W454 PolarHBondContact O-N 3.08Å; K451-W454 PolarHBondContact O-N 2.92Å; W454-L457 HydrophobicContact CE3-CD1 4.13Å; W454-L457 HydrophobicContact CZ3-CD1 4.14Å; W454-L457 WeakPolarHBondContact O-CB 3.27Å; W454-L457 PolarHBondContact O-N 3.15Å; W454-L458 VanDerWaalsContact O-CG 3.31Å; W454-L458 WeakPolarHBondContact O-CG 3.48Å; W454-L458 PolarHBondContact O-N 3.39Å; W454-L469 HydrophobicContact CH2-CD2 4.49Å; W454-S472 PolarHBondContact NE1-O 3.46Å; W454-P474 HydrophobicContact CD2-CG 4Å; W454-P474 HydrophobicContact CE3-CB 4.48Å; W454-P474 HydrophobicContact CE3-CG 4.16Å; W454-P474 HydrophobicContact CG-CG 4.26Å; W454-M482 HydrophobicContact CE3-CE 4.02Å; W454-M482 HydrophobicContact CH2-CE 4.2Å; W454-M482 HydrophobicContact CZ3-CE 3.45Å; W454-M482 VanDerWaalsContact CZ3-CE 3.45Å; W454-I484 HydrophobicContact CH2-CD1 3.72Å; W454-I484 HydrophobicContact CH2-CG1 3.88Å; W454-I484 HydrophobicContact CH2-CG2 4.21Å; W454-I484 HydrophobicContact CZ2-CG2 4.34Å; W454-I484 HydrophobicContact CZ3-CD1 4.23Å; W454-I484 HydrophobicContact CZ3-CG1 4.42Å; W454-M505 HydrophobicContact CH2-CE 3.83Å; W454-M505 HydrophobicContact CZ3-CE 3.99Å
455E86.4Confident85.8Confident128 Ų12862.5 Ų62.560%0.59834%0.341SS*.Hα-helixtrans-63.4-42.3176.4-75.7-69.7164.700111.9V453 L457 L458 M459V453-E455 PolarHBondContact O-N 3.4Å; E455-L457 VanDerWaalsContact C-N 3.34Å; E455-L457 PolarHBondContact O-N 2.88Å; E455-L458 PolarHBondContact O-N 3.34Å; E455-M459 WeakPolarHBondContact O-CG 3.34Å; E455-M459 PolarHBondContact O-N 3.13Å
456D87.3Confident86.1Confident88 Ų8861.3 Ų61.347%0.47133%0.327SS..Hα-helixtrans-65.3-39.1177-68.1-32000111.7V453 M459 A460 M512V453-D456 PolarHBondContact O-N 3.1Å; D456-M459 PolarHBondContact O-N 3.05Å; D456-A460 PolarHBondContact O-N 3.49Å; D456-M512 HydrophobicContact CB-CE 4.07Å; D456-M512 HydrophobicContact CB-SD 4.28Å
457L86.5Confident86.1Confident1 Ų161.9 Ų61.91%0.00534%0.342CS..Hα-helixtrans-60.1-49.1173.5-174.6168.7000110.7V453 W454 E455 M459 A460 L461 M505 T508 L509 M512V453-L457 WeakPolarHBondContact O-CB 3.36Å; V453-L457 PolarHBondContact O-N 3.44Å; W454-L457 HydrophobicContact CE3-CD1 4.13Å; W454-L457 HydrophobicContact CZ3-CD1 4.14Å; W454-L457 WeakPolarHBondContact O-CB 3.27Å; W454-L457 PolarHBondContact O-N 3.15Å; E455-L457 VanDerWaalsContact C-N 3.34Å; E455-L457 PolarHBondContact O-N 2.88Å; L457-M459 VanDerWaalsContact C-N 3.27Å; L457-M459 PolarHBondContact O-N 3.47Å; L457-A460 PolarHBondContact O-N 3.25Å; L457-L461 HydrophobicContact CD2-CD1 3.63Å; L457-L461 HydrophobicContact CD2-CG 4.2Å; L457-L461 WeakPolarHBondContact O-CG 3.49Å; L457-L461 PolarHBondContact O-N 3.12Å; L457-M505 HydrophobicContact CD2-CE 4.38Å; L457-M505 HydrophobicContact CD2-CG 4.43Å; L457-T508 HydrophobicContact CB-CG2 4.37Å; L457-T508 HydrophobicContact CG-CG2 4.03Å; L457-L509 HydrophobicContact CD1-CD1 3.67Å; L457-L509 HydrophobicContact CD1-CD2 3.75Å; L457-L509 HydrophobicContact CD1-CG 3.42Å; L457-L509 VanDerWaalsContact CD1-CG 3.42Å; L457-M512 HydrophobicContact CB-SD 4.24Å
458L87.7Confident86Confident13 Ų1362.4 Ų62.47%0.06834%0.344CS..Hα-helixtrans-58.6-41.4177.5-70.3176.2000111.1W454 E455 L461 R466 L469W454-L458 VanDerWaalsContact O-CG 3.31Å; W454-L458 WeakPolarHBondContact O-CG 3.48Å; W454-L458 PolarHBondContact O-N 3.39Å; E455-L458 PolarHBondContact O-N 3.34Å; L458-L461 PolarHBondContact O-N 2.92Å; L458-R466 HydrophobicContact CB-CG 4.41Å; L458-R466 WeakPolarHBondContact O-CD 3.32Å; L458-R466 WeakPolarHBondContact O-CG 3.32Å; L458-L469 HydrophobicContact CD2-CB 3.34Å; L458-L469 HydrophobicContact CD2-CD1 4.25Å; L458-L469 HydrophobicContact CD2-CG 4.44Å
459M86.7Confident86Confident113 Ų11358.4 Ų58.456%0.55732%0.323SS*.Hα-helixtrans-68.2-31.3179-75.1-165.1-80.700114E455 D456 L457 L461E455-M459 WeakPolarHBondContact O-CG 3.34Å; E455-M459 PolarHBondContact O-N 3.13Å; D456-M459 PolarHBondContact O-N 3.05Å; L457-M459 VanDerWaalsContact C-N 3.27Å; L457-M459 PolarHBondContact O-N 3.47Å; M459-L461 VanDerWaalsContact C-N 3.34Å
460A87.1Confident86Confident59 Ų5964.9 Ų64.949%0.48835%0.346SS..Hα-helixtrans-76.9-17.4178.100000113.9D456 L457 T508 M512D456-A460 PolarHBondContact O-N 3.49Å; L457-A460 PolarHBondContact O-N 3.25Å; A460-T508 HydrophobicContact CB-CG2 3.7Å; A460-M512 HydrophobicContact CB-CE 3.97Å
461L86.4Confident85.9Confident8 Ų866.3 Ų66.34%0.04236%0.358CS..SBendtrans-79.5150.8179.8-71.1174.3000112.9L457 L458 M459 Q465 R466 L469 N504 M505L457-L461 HydrophobicContact CD2-CD1 3.63Å; L457-L461 HydrophobicContact CD2-CG 4.2Å; L457-L461 WeakPolarHBondContact O-CG 3.49Å; L457-L461 PolarHBondContact O-N 3.12Å; L458-L461 PolarHBondContact O-N 2.92Å; M459-L461 VanDerWaalsContact C-N 3.34Å; L461-Q465 HydrophobicContact CB-CB 4.31Å; L461-R466 HydrophobicContact CB-CB 4.44Å; L461-L469 HydrophobicContact CD1-CD1 3.27Å; L461-N504 HydrophobicContact CD2-CB 3.74Å; L461-M505 HydrophobicContact CD1-CG 4.12Å
462P86.2Confident85.9Confident62 Ų6261.6 Ų61.640%0.40334%0.338SS..  trans-51.7147.5170.4-2532.8000112.4T464 Q465 R466P462-T464 PolarHBondContact O-N 3.21Å; P462-Q465 PolarHBondContact O-N 3.04Å; P462-R466 PolarHBondContact O-N 3Å
463V85.2Confident86Confident103 Ų10359.4 Ų59.462%0.62432%0.324SS*.Hα-helixtrans-52.7-38.6-172.3-1790000113.1A467V463-A467 WeakPolarHBondContact O-CB 3.4Å; V463-A467 PolarHBondContact O-N 3.18Å
464T84.6Confident86Confident105 Ų10558.4 Ų58.464%0.64432%0.318SS*.Hα-helixtrans-66.1-45.2178.2490000112.4P462 A467 M468P462-T464 PolarHBondContact O-N 3.21Å; T464-A467 PolarHBondContact O-N 3.24Å; T464-M468 WeakPolarHBondContact O-CG 3.43Å; T464-M468 PolarHBondContact O-N 2.84Å
465Q86.4Confident86Confident12 Ų1259.2 Ų59.26%0.05632%0.323CS..Hα-helixtrans-70.9-41.8179.5-67-177.2-3.200111.3L461 P462 A467 M468 L469 L501 N504L461-Q465 HydrophobicContact CB-CB 4.31Å; P462-Q465 PolarHBondContact O-N 3.04Å; Q465-A467 VanDerWaalsContact C-N 3.32Å; Q465-A467 PolarHBondContact O-N 3.33Å; Q465-M468 WeakPolarHBondContact O-CB 3.27Å; Q465-M468 PolarHBondContact O-N 3.09Å; Q465-M468 VanDerWaalsContact O-N 3.13Å; Q465-L469 PolarHBondContact O-N 3.43Å; Q465-L501 HydrophobicContact CB-CD1 3.57Å; Q465-L501 HydrophobicContact CG-CD1 3.73Å; Q465-N504 PolarHBondContact NE2-ND2 3.34Å; Q465-N504 VanDerWaalsContact NE2-ND2 3.17Å; Q465-N504 PolarHBondContact OE1-ND2 3.03Å
466R87.2Confident86Confident101 Ų10153.5 Ų53.538%0.38130%0.298SS..Hα-helixtrans-57.7-43.7172.7-177.9175.268-176.2-1.2111.8L458 L461 P462 M468 L469 K470L458-R466 HydrophobicContact CB-CG 4.41Å; L458-R466 WeakPolarHBondContact O-CD 3.32Å; L458-R466 WeakPolarHBondContact O-CG 3.32Å; L461-R466 HydrophobicContact CB-CB 4.44Å; P462-R466 PolarHBondContact O-N 3Å; R466-M468 VanDerWaalsContact C-N 3.28Å; R466-M468 PolarHBondContact O-N 3.33Å; R466-L469 PolarHBondContact O-N 3.26Å; R466-K470 WeakPolarHBondContact O-CB 3.48Å; R466-K470 PolarHBondContact O-N 3.31Å
467A83.6Confident85.9Confident69 Ų6949.3 Ų49.357%0.5728%0.275SS*.Hα-helixtrans-63-34.3177.400000112.6V463 T464 Q465V463-A467 WeakPolarHBondContact O-CB 3.4Å; V463-A467 PolarHBondContact O-N 3.18Å; T464-A467 PolarHBondContact O-N 3.24Å; Q465-A467 VanDerWaalsContact C-N 3.32Å; Q465-A467 PolarHBondContact O-N 3.33Å
468M83.5Confident85.7Confident47 Ų4749.2 Ų49.223%0.23228%0.275CS..Hα-helixtrans-70.2-41.7176-70.5179.567.200112.5T464 Q465 R466 V491 R494 A495T464-M468 WeakPolarHBondContact O-CG 3.43Å; T464-M468 PolarHBondContact O-N 2.84Å; Q465-M468 WeakPolarHBondContact O-CB 3.27Å; Q465-M468 PolarHBondContact O-N 3.09Å; Q465-M468 VanDerWaalsContact O-N 3.13Å; R466-M468 VanDerWaalsContact C-N 3.28Å; R466-M468 PolarHBondContact O-N 3.33Å; M468-V491 HydrophobicContact CB-CG1 4.17Å; M468-V491 HydrophobicContact CE-CG1 4.5Å; M468-V491 WeakPolarHBondContact O-CG1 3.44Å; M468-R494 HydrophobicContact CE-CB 3.36Å; M468-A495 HydrophobicContact CE-CB 4.46Å
469L85.9Confident85.4Confident0 Ų051.3 Ų51.30%029%0.289CS..Hα-helixtrans-82.1-12.2-178.5-71.3161.9000114W454 L458 L461 Q465 R466 A471 S472 F486 L501 M505W454-L469 HydrophobicContact CH2-CD2 4.49Å; L458-L469 HydrophobicContact CD2-CB 3.34Å; L458-L469 HydrophobicContact CD2-CD1 4.25Å; L458-L469 HydrophobicContact CD2-CG 4.44Å; L461-L469 HydrophobicContact CD1-CD1 3.27Å; Q465-L469 PolarHBondContact O-N 3.43Å; R466-L469 PolarHBondContact O-N 3.26Å; L469-A471 PolarHBondContact O-N 2.93Å; L469-S472 WeakPolarHBondContact CA-OG 3.42Å; L469-S472 WeakPolarHBondContact O-CB 3.29Å; L469-S472 PolarHBondContact O-N 2.95Å; L469-S472 PolarHBondContact O-OG 3.47Å; L469-F486 HydrophobicContact CD2-CE1 4.09Å; L469-F486 HydrophobicContact CD2-CZ 3.79Å; L469-L501 HydrophobicContact CD1-CD1 3.9Å; L469-L501 HydrophobicContact CG-CD1 4.43Å; L469-M505 HydrophobicContact CD1-CE 4.17Å; L469-M505 HydrophobicContact CD1-CG 4.14Å; L469-M505 HydrophobicContact CD1-SD 3.66Å; L469-M505 HydrophobicContact CD2-CE 4.15Å; L469-M505 HydrophobicContact CD2-SD 3.95Å; L469-M505 HydrophobicContact CG-SD 4.43Å
470K83.2Confident85.2Confident175 Ų17551.2 Ų51.276%0.76129%0.291SS*.THydrogen-bonded Turntrans-59.8-29.5-179.6-164.2177.2-178.6-175.50113.4R466 S472R466-K470 WeakPolarHBondContact O-CB 3.48Å; R466-K470 PolarHBondContact O-N 3.31Å; K470-S472 VanDerWaalsContact C-N 3.34Å
471A83.3Confident85.1Confident31 Ų3148.7 Ų48.726%0.25627%0.269SS..THydrogen-bonded Turntrans-100.641.8174.200000111.5L469 D487 Y488L469-A471 PolarHBondContact O-N 2.93Å; A471-D487 HydrophobicContact CB-CB 4.49Å; A471-D487 PolarHBondContact O-N 2.96Å; A471-D487 VanDerWaalsContact O-N 3.13Å; A471-Y488 HydrophobicContact CB-CD2 4.42Å; A471-Y488 HydrophobicContact CB-CE2 4.44Å
472S86.4Confident85.1Confident6 Ų648.3 Ų48.34%0.04227%0.267CS..EExtended strand (participates in β ladder)trans-141.6149.1178.878.10000112.3W454 L469 K470 A485 F486W454-S472 PolarHBondContact NE1-O 3.46Å; L469-S472 WeakPolarHBondContact CA-OG 3.42Å; L469-S472 WeakPolarHBondContact O-CB 3.29Å; L469-S472 PolarHBondContact O-N 2.95Å; L469-S472 PolarHBondContact O-OG 3.47Å; K470-S472 VanDerWaalsContact C-N 3.34Å; S472-A485 CarbonylContact C-O 3.51Å; S472-A485 WeakPolarHBondContact CA-O 3.35Å; S472-A485 WeakPolarHBondContact CB-O 3.44Å; S472-F486 VanDerWaalsContact CB-CD1 3.48Å
473E87.5Confident85.3Confident80 Ų8045.4 Ų45.437%0.37425%0.248SC..EExtended strand (participates in β ladder)trans-135.7140.4-179.1-71.7174.7-157.900111.1M475 A485 R525E473-M475 HydrophobicContact CB-CE 3.6Å; E473-M475 PolarHBondContact O-N 2.96Å; E473-M475 WeakPolarHBondContact OE2-CE 3.44Å; E473-A485 PolarHBondContact N-O 2.88Å; E473-A485 PolarHBondContact O-N 2.83Å; E473-R525 VanDerWaalsContact CD-NH2 3.26Å; E473-R525 IonicContact OE1-CZ 2.63Å; E473-R525 IonicContact OE1-NH1 3.98Å; E473-R525 IonicContact OE1-NH2 3.86Å; E473-R525 PolarHBondContact OE1-NH2 3.44Å; E473-R525 IonicContact OE2-CZ 3.82Å; E473-R525 IonicContact OE2-NH2 3.64Å; E473-R525 PolarHBondContact OE2-NH2 3.46Å
474P87.9Confident85.5Confident5 Ų540.5 Ų40.53%0.03222%0.219CC..EExtended strand (participates in β ladder)trans-74.5120173.232.2-35000110.3L447 V450 K451 W454 M482L447-P474 HydrophobicContact CD1-CB 4.46Å; V450-P474 HydrophobicContact CG1-CB 3.98Å; V450-P474 HydrophobicContact CG1-CG 4.18Å; K451-P474 WeakPolarHBondContact CE-O 3.34Å; K451-P474 HydrophobicContact CG-CG 3.93Å; W454-P474 HydrophobicContact CD2-CG 4Å; W454-P474 HydrophobicContact CE3-CB 4.48Å; W454-P474 HydrophobicContact CE3-CG 4.16Å; W454-P474 HydrophobicContact CG-CG 4.26Å; P474-M482 HydrophobicContact CB-CE 3.48Å; P474-M482 VanDerWaalsContact CB-CE 3.48Å
475M86.8Confident85.7Confident38 Ų3835.6 Ų35.619%0.18719%0.189CC..EExtended strand (participates in β ladder)trans-99.9-33.3-176.5-67.5-69.39600113.1E473 L483 A485 W528E473-M475 HydrophobicContact CB-CE 3.6Å; E473-M475 PolarHBondContact O-N 2.96Å; E473-M475 WeakPolarHBondContact OE2-CE 3.44Å; M475-L483 HydrophobicContact CB-CD2 3.66Å; M475-L483 HydrophobicContact CG-CD2 4.3Å; M475-L483 PolarHBondContact N-O 3.31Å; M475-A485 HydrophobicContact CG-CB 3.6Å; M475-W528 HydrophobicContact CB-CD2 4.45Å; M475-W528 HydrophobicContact CB-CH2 4.28Å; M475-W528 HydrophobicContact CB-CZ2 3.96Å
476A85.9Confident85.8Confident7 Ų735.1 Ų35.16%0.05819%0.187CC..EExtended strand (participates in β ladder)trans-148.4144.5176.200000110.3V438 A442 L483 W528V438-A476 HydrophobicContact CG1-CB 4.03Å; A442-A476 HydrophobicContact CB-CB 4.14Å; A476-L483 HydrophobicContact CB-CB 4.28Å; A476-L483 PolarHBondContact N-O 2.92Å; A476-L483 PolarHBondContact O-N 3.16Å; A476-W528 HydrophobicContact CB-CH2 4.36Å
477A85.7Confident85.7Confident0 Ų033.8 Ų33.80%019%0.187CC..EExtended strand (participates in β ladder)trans-141.3130.517600000109.4A442 T443 H446 L447 V450 M482A442-A477 VanDerWaalsContact CA-O 3.28Å; A442-A477 WeakPolarHBondContact CA-O 3.25Å; T443-A477 PolarHBondContact N-O 3.11Å; T443-A477 VanDerWaalsContact N-O 3.08Å; H446-A477 HydrophobicContact CB-CB 4.03Å; H446-A477 WeakPolarHBondContact CB-O 3.42Å; L447-A477 HydrophobicContact CB-CB 4.49Å; L447-A477 HydrophobicContact CD1-CB 4.47Å; V450-A477 HydrophobicContact CG2-CB 4.17Å; A477-M482 HydrophobicContact CB-CG 4.28Å
478G83.5Confident85.7Confident0 Ų037.8 Ų37.80%019%0.189CC..  trans-117.3-177.9169.500000110.3D480 L481 Y516G478-D480 PolarHBondContact O-N 2.85Å; G478-L481 PolarHBondContact N-O 3.1Å; G478-Y516 VanDerWaalsContact O-CE2 3.27Å; G478-Y516 WeakPolarHBondContact O-CE2 3.33Å; G478-Y516 PolarHBondContact O-OH 3.3Å
479P80.2Confident85.6Confident57 Ų5738.2 Ų38.237%0.3719%0.19SC..SBendtrans-61-39.1-178.321.7-31.4000113.7E441 Y516E441-P479 WeakPolarHBondContact O-CD 3.48Å; P479-Y516 VanDerWaalsContact O-CE2 3.28Å; P479-Y516 WeakPolarHBondContact O-CE2 3.35Å
480D83.4Confident85.4Confident110 Ų11043.6 Ų43.659%0.58822%0.218SC*.SBendtrans-110.8-16.3-175.2-64.8-29.1000113.6G478 P518 E519G478-D480 PolarHBondContact O-N 2.85Å; D480-P518 CarbonylContact O-C 3.48Å; D480-P518 VanDerWaalsContact O-CA 3.31Å; D480-P518 WeakPolarHBondContact O-CA 3.21Å; D480-E519 PolarHBondContact O-N 2.98Å
481L85.2Confident85.4Confident7 Ų736.9 Ų36.94%0.03719%0.191CC..EExtended strand (participates in β ladder)trans-135.3139.8-170.1-76.6157.6000111.6Q437 V438 G478 E519 V521Q437-L481 HydrophobicContact CB-CD1 4.06Å; Q437-L481 HydrophobicContact CG-CD1 3.6Å; V438-L481 HydrophobicContact CB-CB 4.32Å; V438-L481 HydrophobicContact CG1-CB 4.38Å; V438-L481 HydrophobicContact CG2-CB 3.67Å; V438-L481 HydrophobicContact CG2-CD1 4.44Å; V438-L481 HydrophobicContact CG2-CD2 4.37Å; V438-L481 HydrophobicContact CG2-CG 4.4Å; G478-L481 PolarHBondContact N-O 3.1Å; L481-E519 WeakPolarHBondContact CA-O 3.44Å; L481-E519 HydrophobicContact CD2-CB 3.95Å; L481-V521 HydrophobicContact CD2-CG2 4.2Å
482M86.4Confident85.4Confident0 Ų035.4 Ų35.40%018%0.179CC..EExtended strand (participates in β ladder)trans-134.9135.4179.5-179.8177.5163.800111.3V450 W454 P474 A477 I484 L509 P518 E519 F520 V521V450-M482 HydrophobicContact CB-CE 4.5Å; V450-M482 HydrophobicContact CG1-CE 3.22Å; V450-M482 HydrophobicContact CG1-SD 3.76Å; V450-M482 HydrophobicContact CG2-SD 4.12Å; W454-M482 HydrophobicContact CE3-CE 4.02Å; W454-M482 HydrophobicContact CH2-CE 4.2Å; W454-M482 HydrophobicContact CZ3-CE 3.45Å; W454-M482 VanDerWaalsContact CZ3-CE 3.45Å; P474-M482 HydrophobicContact CB-CE 3.48Å; P474-M482 VanDerWaalsContact CB-CE 3.48Å; A477-M482 HydrophobicContact CB-CG 4.28Å; M482-I484 HydrophobicContact CE-CD1 4.01Å; M482-I484 HydrophobicContact CE-CG1 3.74Å; M482-L509 HydrophobicContact SD-CD1 4.31Å; M482-P518 HydrophobicContact CB-CB 3.8Å; M482-P518 HydrophobicContact CB-CG 4.02Å; M482-P518 HydrophobicContact SD-CG 4.35Å; M482-E519 PolarHBondContact N-O 3.03Å; M482-F520 HydrophobicContact CB-CD1 4.1Å; M482-F520 HydrophobicContact CB-CE1 4.39Å; M482-F520 HydrophobicContact CG-CD1 4.34Å; M482-F520 CarbonylContact O-C 3.53Å; M482-F520 WeakPolarHBondContact O-CA 3.44Å; M482-F520 HydrophobicContact SD-CD1 4.18Å; M482-F520 HydrophobicContact SD-CE1 3.84Å; M482-V521 PolarHBondContact O-N 2.95Å
483L88.7Confident85.3Confident0 Ų038.6 Ų38.60%019%0.193CC..EExtended strand (participates in β ladder)trans-112123.7-176.8-173.5152.4000111.2V435 V438 M475 A476 V521 I523 W528V435-L483 HydrophobicContact CB-CD1 3.99Å; V435-L483 HydrophobicContact CG1-CD1 3.56Å; V435-L483 HydrophobicContact CG2-CD1 3.75Å; V438-L483 HydrophobicContact CB-CB 4.43Å; V438-L483 HydrophobicContact CG1-CB 3.94Å; V438-L483 HydrophobicContact CG2-CB 4.39Å; M475-L483 HydrophobicContact CB-CD2 3.66Å; M475-L483 HydrophobicContact CG-CD2 4.3Å; M475-L483 PolarHBondContact N-O 3.31Å; A476-L483 HydrophobicContact CB-CB 4.28Å; A476-L483 PolarHBondContact N-O 2.92Å; A476-L483 PolarHBondContact O-N 3.16Å; L483-V521 WeakPolarHBondContact CA-O 3.36Å; L483-I523 HydrophobicContact CD1-CD1 4.42Å; L483-I523 HydrophobicContact CD1-CG2 4.39Å; L483-I523 HydrophobicContact CD2-CD1 3.66Å; L483-I523 HydrophobicContact CD2-CG1 3.87Å; L483-I523 HydrophobicContact CG-CD1 4.42Å; L483-I523 HydrophobicContact CG-CG1 4.43Å; L483-W528 HydrophobicContact CD1-CZ3 3.98Å; L483-W528 HydrophobicContact CD2-CE3 4.14Å; L483-W528 HydrophobicContact CD2-CH2 4.41Å; L483-W528 HydrophobicContact CD2-CZ3 3.88Å
484I89.3Confident85.1Confident0 Ų042.5 Ų42.50%020%0.204CC..EExtended strand (participates in β ladder)trans-119.9128.3-178.3-61.3155.7000108.8W454 M482 F486 M505 F520 V521 F522 I523W454-I484 HydrophobicContact CH2-CD1 3.72Å; W454-I484 HydrophobicContact CH2-CG1 3.88Å; W454-I484 HydrophobicContact CH2-CG2 4.21Å; W454-I484 HydrophobicContact CZ2-CG2 4.34Å; W454-I484 HydrophobicContact CZ3-CD1 4.23Å; W454-I484 HydrophobicContact CZ3-CG1 4.42Å; M482-I484 HydrophobicContact CE-CD1 4.01Å; M482-I484 HydrophobicContact CE-CG1 3.74Å; I484-F486 HydrophobicContact CG2-CE2 4.02Å; I484-F486 HydrophobicContact CG2-CZ 4.32Å; I484-M505 HydrophobicContact CD1-CE 3.59Å; I484-F520 HydrophobicContact CD1-CD1 3.75Å; I484-F520 HydrophobicContact CD1-CE1 4.4Å; I484-F520 HydrophobicContact CD1-CG 4.37Å; I484-V521 PolarHBondContact N-O 2.79Å; I484-F522 HydrophobicContact CB-CD1 4.09Å; I484-F522 HydrophobicContact CB-CE1 4.45Å; I484-F522 HydrophobicContact CD1-CD1 4.29Å; I484-F522 HydrophobicContact CD1-CE1 3.83Å; I484-F522 WeakPolarHBondContact O-CA 3.39Å; I484-I523 PolarHBondContact O-N 3.28Å
485A89.8Confident84.9Confident3 Ų342.2 Ų42.23%0.02520%0.203CC..EExtended strand (participates in β ladder)trans-101.2133177.600000110.9S472 E473 M475 I523S472-A485 CarbonylContact C-O 3.51Å; S472-A485 WeakPolarHBondContact CA-O 3.35Å; S472-A485 WeakPolarHBondContact CB-O 3.44Å; E473-A485 PolarHBondContact N-O 2.88Å; E473-A485 PolarHBondContact O-N 2.83Å; M475-A485 HydrophobicContact CG-CB 3.6Å; A485-I523 CarbonylContact C-O 3.57Å; A485-I523 VanDerWaalsContact CA-O 3.31Å; A485-I523 WeakPolarHBondContact CA-O 3.45Å; A485-I523 HydrophobicContact CB-CD1 4.46Å; A485-I523 HydrophobicContact CB-CG1 3.98Å
486F88.3Confident84.8Confident1 Ų142.8 Ų42.80%0.00421%0.207CC..EExtended strand (participates in β ladder)trans-105.8146174.9-69.2-95.6000111.6L469 S472 I484 Y488 V491 C492 A495 F522 I523 T524 R525L469-F486 HydrophobicContact CD2-CE1 4.09Å; L469-F486 HydrophobicContact CD2-CZ 3.79Å; S472-F486 VanDerWaalsContact CB-CD1 3.48Å; I484-F486 HydrophobicContact CG2-CE2 4.02Å; I484-F486 HydrophobicContact CG2-CZ 4.32Å; F486-Y488 VanDerWaalsContact C-N 3.32Å; F486-V491 HydrophobicContact CD1-CB 4.29Å; F486-V491 HydrophobicContact CD1-CG1 3.71Å; F486-V491 HydrophobicContact CE1-CG1 3.92Å; F486-C492 HydrophobicContact CB-CB 4.05Å; F486-C492 HydrophobicContact CD2-CB 4.09Å; F486-C492 HydrophobicContact CG-CB 4.23Å; F486-A495 HydrophobicContact CE1-CB 4.15Å; F486-A495 HydrophobicContact CE2-CB 3.97Å; F486-A495 HydrophobicContact CZ-CB 3.53Å; F486-F522 HydrophobicContact CD2-CB 4.35Å; F486-F522 HydrophobicContact CE2-CB 3.96Å; F486-F522 AromaticContact CE2-CD1 3.49Å; F486-F522 HydrophobicContact CE2-CD1 3.49Å; F486-F522 VanDerWaalsContact CE2-CD1 3.49Å; F486-F522 HydrophobicContact CE2-CE1 4.18Å; F486-F522 AromaticContact CE2-CG 3.93Å; F486-F522 HydrophobicContact CE2-CG 3.93Å; F486-F522 HydrophobicContact CZ-CD1 4.14Å; F486-F522 HydrophobicContact CZ-CE1 4.4Å; F486-I523 PolarHBondContact N-O 2.99Å; F486-T524 WeakPolarHBondContact O-CA 3.33Å; F486-R525 PolarHBondContact O-N 3.3Å
487D84.7Confident84.7Confident73 Ų7346.8 Ų46.839%0.3923%0.234SC..SBendtrans-71-27.1175.1-68.7-30.6000112.8A471 R525A471-D487 HydrophobicContact CB-CB 4.49Å; A471-D487 PolarHBondContact O-N 2.96Å; A471-D487 VanDerWaalsContact O-N 3.13Å; D487-R525 WeakPolarHBondContact OD1-CD 3.22Å; D487-R525 IonicContact OD1-CZ 3.9Å; D487-R525 IonicContact OD1-NE 3.01Å; D487-R525 IonicContact OD1-NH1 3.95Å; D487-R525 PolarHBondContact OD1-NH1 3.44Å; D487-R525 IonicContact OD2-NH1 2.91Å
488Y83.6Confident84.6Confident154 Ų15448.4 Ų48.460%0.60425%0.246SC*.  trans-123.1128.3-175-57.9-80.6000112.8A471 F486 I490 V491 C492A471-Y488 HydrophobicContact CB-CD2 4.42Å; A471-Y488 HydrophobicContact CB-CE2 4.44Å; F486-Y488 VanDerWaalsContact C-N 3.32Å; Y488-I490 VanDerWaalsContact C-N 3.33Å; Y488-I490 PolarHBondContact O-N 3.4Å; Y488-V491 PolarHBondContact O-N 3.14Å; Y488-V491 VanDerWaalsContact O-N 3.12Å; Y488-C492 PolarHBondContact O-N 3.42Å
489E82Confident84.7Confident55 Ų5554.5 Ų54.526%0.25728%0.278SS..Hα-helixtrans-58.7-38.5-178.8-172-180-178.200113.4S426 T427 Y428 V491 C492 Q493 T524S426-E489 WeakPolarHBondContact CA-OE1 3.34Å; S426-E489 VanDerWaalsContact CB-OE1 3.26Å; S426-E489 WeakPolarHBondContact CB-OE1 3.24Å; S426-E489 VanDerWaalsContact CB-OE2 3.26Å; S426-E489 WeakPolarHBondContact CB-OE2 3.2Å; S426-E489 VanDerWaalsContact OG-CD 3.23Å; S426-E489 PolarHBondContact OG-OE1 3.19Å; S426-E489 PolarHBondContact OG-OE2 3.3Å; T427-E489 PolarHBondContact N-OE1 2.96Å; Y428-E489 WeakPolarHBondContact CB-OE1 3.43Å; Y428-E489 PolarHBondContact N-OE1 2.88Å; E489-V491 VanDerWaalsContact C-N 3.3Å; E489-V491 PolarHBondContact O-N 2.93Å; E489-C492 WeakPolarHBondContact O-CB 3.46Å; E489-C492 PolarHBondContact O-N 3.04Å; E489-Q493 PolarHBondContact O-N 3.18Å; E489-T524 HydrophobicContact CB-CG2 4.1Å; E489-T524 HydrophobicContact CG-CG2 4.22Å
490I81.1Confident85Confident114 Ų11458.1 Ų58.159%0.58529%0.29SS*.Hα-helixtrans-63.8-38179-61.9169.9000111Y488 R494Y488-I490 VanDerWaalsContact C-N 3.33Å; Y488-I490 PolarHBondContact O-N 3.4Å; I490-R494 WeakPolarHBondContact O-CG 3.07Å; I490-R494 PolarHBondContact O-N 2.9Å; I490-R494 VanDerWaalsContact O-N 3.1Å
491V83.9Confident85.1Confident34 Ų3452.9 Ų52.921%0.20626%0.262CS..Hα-helixtrans-72.9-41.4178.9-174.60000109.8M468 F486 Y488 E489 Q493 R494 A495M468-V491 HydrophobicContact CB-CG1 4.17Å; M468-V491 HydrophobicContact CE-CG1 4.5Å; M468-V491 WeakPolarHBondContact O-CG1 3.44Å; F486-V491 HydrophobicContact CD1-CB 4.29Å; F486-V491 HydrophobicContact CD1-CG1 3.71Å; F486-V491 HydrophobicContact CE1-CG1 3.92Å; Y488-V491 PolarHBondContact O-N 3.14Å; Y488-V491 VanDerWaalsContact O-N 3.12Å; E489-V491 VanDerWaalsContact C-N 3.3Å; E489-V491 PolarHBondContact O-N 2.93Å; V491-Q493 PolarHBondContact O-N 3.39Å; V491-R494 PolarHBondContact O-N 3.37Å; V491-A495 WeakPolarHBondContact O-CB 3.34Å; V491-A495 PolarHBondContact O-N 2.82Å
492C83.9Confident85.1Confident0 Ų054.4 Ų54.40%027%0.267CS..Hα-helixtrans-55.8-48.3172.8-168.10000111.6Y428 F486 Y488 E489 R494 A495 D496 T524Y428-C492 VanDerWaalsContact CE1-SG 3.5Å; F486-C492 HydrophobicContact CB-CB 4.05Å; F486-C492 HydrophobicContact CD2-CB 4.09Å; F486-C492 HydrophobicContact CG-CB 4.23Å; Y488-C492 PolarHBondContact O-N 3.42Å; E489-C492 WeakPolarHBondContact O-CB 3.46Å; E489-C492 PolarHBondContact O-N 3.04Å; C492-R494 PolarHBondContact O-N 3.26Å; C492-A495 PolarHBondContact O-N 3.39Å; C492-D496 VanDerWaalsContact O-CB 3.29Å; C492-D496 WeakPolarHBondContact O-CB 3.45Å; C492-D496 PolarHBondContact O-N 3.49Å; C492-T524 HydrophobicContact CB-CG2 4.26Å
493Q83.7Confident85.1Confident73 Ų7359.2 Ų59.234%0.34129%0.293SS..Hα-helixtrans-60.5-45.2177.4-82.5-178.5-3.200112.6Y428 E489 V491 D496 S497Y428-Q493 HydrophobicContact CD2-CB 4.49Å; Y428-Q493 HydrophobicContact CD2-CG 3.33Å; Y428-Q493 HydrophobicContact CE2-CG 3.97Å; Y428-Q493 HydrophobicContact CG-CG 3.91Å; E489-Q493 PolarHBondContact O-N 3.18Å; V491-Q493 PolarHBondContact O-N 3.39Å; Q493-D496 PolarHBondContact O-N 2.88Å; Q493-S497 WeakPolarHBondContact O-CB 3.44Å; Q493-S497 PolarHBondContact O-N 3.3Å; Q493-S497 PolarHBondContact O-OG 2.92Å
494R83.7Confident85Confident161 Ų16161.1 Ų61.161%0.60830%0.303SS*.Hα-helixtrans-65.7-42.5178.7-75.1-177.1-178.6170.31.4112M468 I490 V491 C492 D496 S497 S498M468-R494 HydrophobicContact CE-CB 3.36Å; I490-R494 WeakPolarHBondContact O-CG 3.07Å; I490-R494 PolarHBondContact O-N 2.9Å; I490-R494 VanDerWaalsContact O-N 3.1Å; V491-R494 PolarHBondContact O-N 3.37Å; C492-R494 PolarHBondContact O-N 3.26Å; R494-D496 VanDerWaalsContact C-N 3.31Å; R494-S497 WeakPolarHBondContact CA-OG 3.44Å; R494-S497 PolarHBondContact O-N 3.44Å; R494-S497 PolarHBondContact O-OG 3.46Å; R494-S498 WeakPolarHBondContact O-CB 3.26Å; R494-S498 PolarHBondContact O-N 2.84Å
495A83.5Confident84.9Confident0 Ų061.1 Ų61.10%030%0.303CS..Hα-helixtrans-62.3-40.9176.200000111.2M468 F486 V491 C492 S498 L501 F522M468-A495 HydrophobicContact CE-CB 4.46Å; F486-A495 HydrophobicContact CE1-CB 4.15Å; F486-A495 HydrophobicContact CE2-CB 3.97Å; F486-A495 HydrophobicContact CZ-CB 3.53Å; V491-A495 WeakPolarHBondContact O-CB 3.34Å; V491-A495 PolarHBondContact O-N 2.82Å; C492-A495 PolarHBondContact O-N 3.39Å; A495-S498 PolarHBondContact O-N 2.83Å; A495-L501 HydrophobicContact CB-CD2 3.71Å; A495-F522 HydrophobicContact CB-CD2 4.47Å; A495-F522 HydrophobicContact CB-CE2 4.44Å; A495-F522 WeakPolarHBondContact O-CE2 3.46Å
496D84.6Confident84.7Confident50 Ų5063.6 Ų63.627%0.26731%0.314SS..Hα-helixtrans-64.9-39.4177.5-163.423.5000112.8Y428 C492 Q493 R494 S498 R502 F522Y428-D496 HydrophobicContact CE2-CB 4.32Å; Y428-D496 WeakPolarHBondContact CE2-OD2 3.41Å; Y428-D496 VanDerWaalsContact OH-CG 3.22Å; Y428-D496 PolarHBondContact OH-OD2 2.94Å; C492-D496 VanDerWaalsContact O-CB 3.29Å; C492-D496 WeakPolarHBondContact O-CB 3.45Å; C492-D496 PolarHBondContact O-N 3.49Å; Q493-D496 PolarHBondContact O-N 2.88Å; R494-D496 VanDerWaalsContact C-N 3.31Å; D496-S498 VanDerWaalsContact C-N 3.33Å; D496-S498 PolarHBondContact O-N 3.41Å; D496-R502 PolarHBondContact O-NE 2.96Å; D496-R502 IonicContact OD1-CZ 2.75Å; D496-R502 IonicContact OD1-NH2 2.88Å; D496-R502 PolarHBondContact OD1-NH2 2.79Å; D496-F522 HydrophobicContact CB-CD2 3.99Å
497S83Confident84.6Confident91 Ų9167.4 Ų67.464%0.63633%0.334SS*.THydrogen-bonded Turntrans-78.2-8177.6650000115.4Q493 R494Q493-S497 WeakPolarHBondContact O-CB 3.44Å; Q493-S497 PolarHBondContact O-N 3.3Å; Q493-S497 PolarHBondContact O-OG 2.92Å; R494-S497 WeakPolarHBondContact CA-OG 3.44Å; R494-S497 PolarHBondContact O-N 3.44Å; R494-S497 PolarHBondContact O-OG 3.46Å
498S85.3Confident84.6Confident34 Ų3464.5 Ų64.524%0.23832%0.319CS..  trans-10098-173.9-1740000111.5R494 A495 D496 E500 L501 R502R494-S498 WeakPolarHBondContact O-CB 3.26Å; R494-S498 PolarHBondContact O-N 2.84Å; A495-S498 PolarHBondContact O-N 2.83Å; D496-S498 VanDerWaalsContact C-N 3.33Å; D496-S498 PolarHBondContact O-N 3.41Å; S498-E500 VanDerWaalsContact C-N 3.27Å; S498-E500 PolarHBondContact O-N 2.93Å; S498-L501 PolarHBondContact O-N 3.44Å; S498-L501 WeakPolarHBondContact OG-CB 3.27Å; S498-L501 PolarHBondContact OG-N 3.01Å; S498-R502 PolarHBondContact O-N 3.14Å
499D84.3Confident84.7Confident128 Ų12857.2 Ų57.268%0.68429%0.291SS*.Hα-helixtrans-63.4-34.6174.7-67.7-34.1000112.2L501 R502 L503D499-L501 VanDerWaalsContact C-N 3.35Å; D499-L501 PolarHBondContact O-N 3.19Å; D499-R502 PolarHBondContact O-N 2.98Å; D499-L503 WeakPolarHBondContact O-CB 3.32Å; D499-L503 PolarHBondContact O-N 3.29Å
500E85.8Confident84.9Confident132 Ų13256.6 Ų56.662%0.61729%0.292SS*.Hα-helixtrans-63-40.3177.7-167.6-175.6178.200112S498 L503 N504S498-E500 VanDerWaalsContact C-N 3.27Å; S498-E500 PolarHBondContact O-N 2.93Å; E500-L503 PolarHBondContact O-N 3.28Å; E500-N504 WeakPolarHBondContact O-CB 3.23Å; E500-N504 PolarHBondContact O-N 3.3Å
501L85.6Confident85Confident1 Ų158.2 Ų58.21%0.00530%0.299CS..Hα-helixtrans-62.6-48.2175.2-177.971.4000110.7Q465 L469 A495 S498 D499 L503 N504 M505Q465-L501 HydrophobicContact CB-CD1 3.57Å; Q465-L501 HydrophobicContact CG-CD1 3.73Å; L469-L501 HydrophobicContact CD1-CD1 3.9Å; L469-L501 HydrophobicContact CG-CD1 4.43Å; A495-L501 HydrophobicContact CB-CD2 3.71Å; S498-L501 PolarHBondContact O-N 3.44Å; S498-L501 WeakPolarHBondContact OG-CB 3.27Å; S498-L501 PolarHBondContact OG-N 3.01Å; D499-L501 VanDerWaalsContact C-N 3.35Å; D499-L501 PolarHBondContact O-N 3.19Å; L501-L503 VanDerWaalsContact C-N 3.32Å; L501-L503 PolarHBondContact O-N 3.49Å; L501-N504 PolarHBondContact O-N 3.47Å; L501-M505 HydrophobicContact CD1-SD 4.45Å; L501-M505 HydrophobicContact CG-SD 4.14Å; L501-M505 WeakPolarHBondContact O-CB 3.38Å; L501-M505 VanDerWaalsContact O-CG 3.29Å; L501-M505 WeakPolarHBondContact O-CG 3.31Å; L501-M505 PolarHBondContact O-N 3.1Å
502R86.4Confident84.9Confident39 Ų3960 Ų6015%0.14731%0.306CS..Hα-helixtrans-58-45.7179-69.5171.2173.8-94.6-0.5111D496 S498 D499 M505 Q506 F520 F522D496-R502 PolarHBondContact O-NE 2.96Å; D496-R502 IonicContact OD1-CZ 2.75Å; D496-R502 IonicContact OD1-NH2 2.88Å; D496-R502 PolarHBondContact OD1-NH2 2.79Å; S498-R502 PolarHBondContact O-N 3.14Å; D499-R502 PolarHBondContact O-N 2.98Å; R502-M505 PolarHBondContact O-N 2.7Å; R502-Q506 PolarHBondContact O-N 2.72Å; R502-F520 HydrophobicContact CB-CD2 4.46Å; R502-F520 PolarHBondContact NH1-O 3.08Å; R502-F520 WeakPolarHBondContact O-CE2 3.37Å; R502-F522 HydrophobicContact CG-CE2 4.11Å; R502-F522 HydrophobicContact CG-CZ 4.26Å
503L86.4Confident84.7Confident101 Ų10161.6 Ų61.653%0.52931%0.314SS..Hα-helixtrans-65.7-44.4-179.6-154.6100.3000112D499 E500 L501 Q506 N507D499-L503 WeakPolarHBondContact O-CB 3.32Å; D499-L503 PolarHBondContact O-N 3.29Å; E500-L503 PolarHBondContact O-N 3.28Å; L501-L503 VanDerWaalsContact C-N 3.32Å; L501-L503 PolarHBondContact O-N 3.49Å; L503-Q506 PolarHBondContact O-N 3.41Å; L503-N507 WeakPolarHBondContact O-CB 3.46Å; L503-N507 VanDerWaalsContact O-CG 3.28Å; L503-N507 PolarHBondContact O-N 2.91Å; L503-N507 PolarHBondContact O-ND2 3.07Å
504N86.5Confident84.4Confident40 Ų4068.2 Ų68.221%0.21434%0.342CS..Hα-helixtrans-64.5-41.1178.1-76.7-11.7000111.8L461 Q465 E500 L501 N507 T508L461-N504 HydrophobicContact CD2-CB 3.74Å; Q465-N504 PolarHBondContact NE2-ND2 3.34Å; Q465-N504 VanDerWaalsContact NE2-ND2 3.17Å; Q465-N504 PolarHBondContact OE1-ND2 3.03Å; E500-N504 WeakPolarHBondContact O-CB 3.23Å; E500-N504 PolarHBondContact O-N 3.3Å; L501-N504 PolarHBondContact O-N 3.47Å; N504-N507 PolarHBondContact O-N 2.99Å; N504-T508 WeakPolarHBondContact O-CB 3.42Å; N504-T508 PolarHBondContact O-N 3.38Å; N504-T508 PolarHBondContact O-OG1 3.13Å
505M86.4Confident83.8Confident0 Ų064 Ų640%035%0.349CS..Hα-helixtrans-63.6-42.8175.5-72.1-176.471.100112W454 L457 L461 L469 I484 L501 R502 T508 L509 F520W454-M505 HydrophobicContact CH2-CE 3.83Å; W454-M505 HydrophobicContact CZ3-CE 3.99Å; L457-M505 HydrophobicContact CD2-CE 4.38Å; L457-M505 HydrophobicContact CD2-CG 4.43Å; L461-M505 HydrophobicContact CD1-CG 4.12Å; L469-M505 HydrophobicContact CD1-CE 4.17Å; L469-M505 HydrophobicContact CD1-CG 4.14Å; L469-M505 HydrophobicContact CD1-SD 3.66Å; L469-M505 HydrophobicContact CD2-CE 4.15Å; L469-M505 HydrophobicContact CD2-SD 3.95Å; L469-M505 HydrophobicContact CG-SD 4.43Å; I484-M505 HydrophobicContact CD1-CE 3.59Å; L501-M505 HydrophobicContact CD1-SD 4.45Å; L501-M505 HydrophobicContact CG-SD 4.14Å; L501-M505 WeakPolarHBondContact O-CB 3.38Å; L501-M505 VanDerWaalsContact O-CG 3.29Å; L501-M505 WeakPolarHBondContact O-CG 3.31Å; L501-M505 PolarHBondContact O-N 3.1Å; R502-M505 PolarHBondContact O-N 2.7Å; M505-T508 PolarHBondContact O-N 2.65Å; M505-L509 WeakPolarHBondContact O-CB 3.31Å; M505-L509 PolarHBondContact O-N 3.45Å; M505-F520 HydrophobicContact CB-CD2 4.31Å; M505-F520 HydrophobicContact CB-CE1 4.48Å; M505-F520 HydrophobicContact CB-CE2 3.41Å; M505-F520 VanDerWaalsContact CB-CE2 3.41Å; M505-F520 HydrophobicContact CB-CZ 3.55Å; M505-F520 HydrophobicContact CE-CD1 4.33Å; M505-F520 HydrophobicContact CE-CE1 4.06Å; M505-F520 HydrophobicContact CE-CZ 4.21Å
506Q86.9Confident83.9Confident55 Ų5564.6 Ų64.626%0.25735%0.351SS..Hα-helixtrans-60.5-47.4175.2-87.6170.6-7.200111.9R502 L503 T508 L509 S510 P518 F520R502-Q506 PolarHBondContact O-N 2.72Å; L503-Q506 PolarHBondContact O-N 3.41Å; Q506-T508 PolarHBondContact O-N 2.98Å; Q506-L509 PolarHBondContact O-N 3.09Å; Q506-S510 WeakPolarHBondContact O-CB 3.48Å; Q506-S510 PolarHBondContact O-N 3.06Å; Q506-P518 WeakPolarHBondContact CG-O 3.36Å; Q506-P518 PolarHBondContact NE2-O 3.02Å; Q506-F520 HydrophobicContact CB-CE2 4.49Å; Q506-F520 HydrophobicContact CG-CE2 3.71Å; Q506-F520 HydrophobicContact CG-CZ 4.19Å
507N85.9Confident83.8Confident81 Ų8166.3 Ų66.343%0.43336%0.363SS..Hα-helixtrans-61.3-46.6179.1-71.9-25.6000111.2L503 N504 S510 M511L503-N507 WeakPolarHBondContact O-CB 3.46Å; L503-N507 VanDerWaalsContact O-CG 3.28Å; L503-N507 PolarHBondContact O-N 2.91Å; L503-N507 PolarHBondContact O-ND2 3.07Å; N504-N507 PolarHBondContact O-N 2.99Å; N507-S510 PolarHBondContact O-N 3.2Å; N507-S510 PolarHBondContact O-OG 3.31Å; N507-M511 WeakPolarHBondContact O-CG 3.43Å; N507-M511 PolarHBondContact O-N 3.27Å
508T85.2Confident83.8Confident12 Ų1262 Ų627%0.07433%0.333CS..Hα-helixtrans-64.3-43.8179.3-57.60000112L457 A460 N504 M505 Q506 S510 M511 M512L457-T508 HydrophobicContact CB-CG2 4.37Å; L457-T508 HydrophobicContact CG-CG2 4.03Å; A460-T508 HydrophobicContact CB-CG2 3.7Å; N504-T508 WeakPolarHBondContact O-CB 3.42Å; N504-T508 PolarHBondContact O-N 3.38Å; N504-T508 PolarHBondContact O-OG1 3.13Å; M505-T508 PolarHBondContact O-N 2.65Å; Q506-T508 PolarHBondContact O-N 2.98Å; T508-S510 PolarHBondContact O-N 3.4Å; T508-M511 PolarHBondContact O-N 2.77Å; T508-M512 HydrophobicContact CG2-CE 3.41Å; T508-M512 VanDerWaalsContact CG2-CE 3.41Å; T508-M512 HydrophobicContact CG2-SD 3.92Å; T508-M512 WeakPolarHBondContact O-CG 3.29Å; T508-M512 PolarHBondContact O-N 3.03Å
509L85.5Confident83.8Confident1 Ų164 Ų641%0.00534%0.338CS..Hα-helixtrans-63.8-40.4176.2-86.5158.9000112.4L457 M482 M505 Q506 M511 M512 I513 Y516 P518 F520L457-L509 HydrophobicContact CD1-CD1 3.67Å; L457-L509 HydrophobicContact CD1-CD2 3.75Å; L457-L509 HydrophobicContact CD1-CG 3.42Å; L457-L509 VanDerWaalsContact CD1-CG 3.42Å; M482-L509 HydrophobicContact SD-CD1 4.31Å; M505-L509 WeakPolarHBondContact O-CB 3.31Å; M505-L509 PolarHBondContact O-N 3.45Å; Q506-L509 PolarHBondContact O-N 3.09Å; L509-M511 PolarHBondContact O-N 3.14Å; L509-M512 PolarHBondContact O-N 2.89Å; L509-M512 VanDerWaalsContact O-N 3.13Å; L509-I513 HydrophobicContact CD2-CD1 4.04Å; L509-I513 PolarHBondContact O-N 2.97Å; L509-Y516 HydrophobicContact CD2-CD1 4.41Å; L509-P518 HydrophobicContact CD1-CG 4.27Å; L509-F520 HydrophobicContact CD1-CE1 3.63Å; L509-F520 HydrophobicContact CD1-CZ 3.57Å
510S85Confident84Confident41 Ų4157.9 Ų57.929%0.28731%0.306SS..Hα-helixtrans-63-29.7178.778.50000113.1Q506 N507 T508 Y516Q506-S510 WeakPolarHBondContact O-CB 3.48Å; Q506-S510 PolarHBondContact O-N 3.06Å; N507-S510 PolarHBondContact O-N 3.2Å; N507-S510 PolarHBondContact O-OG 3.31Å; T508-S510 PolarHBondContact O-N 3.4Å; S510-Y516 WeakPolarHBondContact CA-O 3.46Å; S510-Y516 PolarHBondContact N-O 3.5Å
511M83.4Confident84Confident148 Ų14851.8 Ų51.873%0.72928%0.278SS*.Hα-helixtrans-76.2-32.9176.6-71-172.8-72.700112.1N507 T508 L509N507-M511 WeakPolarHBondContact O-CG 3.43Å; N507-M511 PolarHBondContact O-N 3.27Å; T508-M511 PolarHBondContact O-N 2.77Å; L509-M511 PolarHBondContact O-N 3.14Å
512M82.7Confident84.1Confident73 Ų7351.8 Ų51.836%0.3628%0.278SS..Hα-helixtrans-92.6-37.8-175.5-61.2169.3177.800112.7V453 D456 L457 A460 T508 L509V453-M512 HydrophobicContact CG1-CB 3.44Å; V453-M512 VanDerWaalsContact CG1-CB 3.44Å; V453-M512 HydrophobicContact CG1-CG 3.85Å; V453-M512 HydrophobicContact CG1-SD 3.18Å; V453-M512 WeakPolarHBondContact CG1-SD 3.25Å; D456-M512 HydrophobicContact CB-CE 4.07Å; D456-M512 HydrophobicContact CB-SD 4.28Å; L457-M512 HydrophobicContact CB-SD 4.24Å; A460-M512 HydrophobicContact CB-CE 3.97Å; T508-M512 HydrophobicContact CG2-CE 3.41Å; T508-M512 VanDerWaalsContact CG2-CE 3.41Å; T508-M512 HydrophobicContact CG2-SD 3.92Å; T508-M512 WeakPolarHBondContact O-CG 3.29Å; T508-M512 PolarHBondContact O-N 3.03Å; L509-M512 PolarHBondContact O-N 2.89Å; L509-M512 VanDerWaalsContact O-N 3.13Å
513I79.8Confident84.2Confident33 Ų3349.9 Ų49.917%0.16927%0.271CS..THydrogen-bonded Turntrans-114.3106.6176.1-54.2176.5000107.3V450 V453 L509 G515 Y516V450-I513 HydrophobicContact CG2-CD1 4.12Å; V453-I513 HydrophobicContact CG2-CG1 4.44Å; L509-I513 HydrophobicContact CD2-CD1 4.04Å; L509-I513 PolarHBondContact O-N 2.97Å; I513-G515 PolarHBondContact O-N 3.47Å; I513-Y516 HydrophobicContact CB-CD1 4.23Å; I513-Y516 HydrophobicContact CB-CG 4.4Å; I513-Y516 HydrophobicContact CD1-CD1 3.96Å; I513-Y516 HydrophobicContact CD1-CE1 4.43Å; I513-Y516 VanDerWaalsContact CG2-CB 3.48Å; I513-Y516 HydrophobicContact CG2-CD1 4.23Å; I513-Y516 HydrophobicContact CG2-CG 4.04Å; I513-Y516 PolarHBondContact O-N 3.37Å
514K75.8Confident84.2Confident211 Ų21146 Ų4692%0.91725%0.251SS*.THydrogen-bonded Turntrans-54.1111.5-171.2-129.9179.4-174.1178.60111.6Y516K514-Y516 VanDerWaalsContact C-N 3.35Å
515G72.7Confident84.1Confident73 Ų7349.3 Ų49.375%0.75326%0.26SS*.THydrogen-bonded Turntrans77.712.8175.900000115.4I513I513-G515 PolarHBondContact O-N 3.47Å
516Y84.2Confident83.9Confident13 Ų1357.5 Ų57.55%0.05130%0.299CS..  trans-98.1113.1178.7-176.1-116.2000111H446 V450 G478 P479 L509 S510 I513 K514 P518H446-Y516 AromaticContact CD2-CE2 3.72Å; V450-Y516 HydrophobicContact CG2-CE1 3.69Å; G478-Y516 VanDerWaalsContact O-CE2 3.27Å; G478-Y516 WeakPolarHBondContact O-CE2 3.33Å; G478-Y516 PolarHBondContact O-OH 3.3Å; P479-Y516 VanDerWaalsContact O-CE2 3.28Å; P479-Y516 WeakPolarHBondContact O-CE2 3.35Å; L509-Y516 HydrophobicContact CD2-CD1 4.41Å; S510-Y516 WeakPolarHBondContact CA-O 3.46Å; S510-Y516 PolarHBondContact N-O 3.5Å; I513-Y516 HydrophobicContact CB-CD1 4.23Å; I513-Y516 HydrophobicContact CB-CG 4.4Å; I513-Y516 HydrophobicContact CD1-CD1 3.96Å; I513-Y516 HydrophobicContact CD1-CE1 4.43Å; I513-Y516 VanDerWaalsContact CG2-CB 3.48Å; I513-Y516 HydrophobicContact CG2-CD1 4.23Å; I513-Y516 HydrophobicContact CG2-CG 4.04Å; I513-Y516 PolarHBondContact O-N 3.37Å; K514-Y516 VanDerWaalsContact C-N 3.35Å; Y516-P518 HydrophobicContact CD1-CG 4.09Å; Y516-P518 HydrophobicContact CE1-CB 4.19Å; Y516-P518 HydrophobicContact CE1-CG 3.48Å; Y516-P518 VanDerWaalsContact CE1-CG 3.48Å; Y516-P518 HydrophobicContact CE2-CB 4.18Å; Y516-P518 HydrophobicContact CE2-CG 4.31Å
517T82.3Confident83.6Confident85 Ų8555.7 Ų55.752%0.52129%0.292SS..  trans-132.571.9-178.851.40000110.4
518P83.9Confident83.5Confident0 Ų053.5 Ų53.50%028%0.278CS..PPolyproline II helixtrans-71.9153.4-175.931.9-37.8000111.9D480 M482 Q506 L509 Y516 F520D480-P518 CarbonylContact O-C 3.48Å; D480-P518 VanDerWaalsContact O-CA 3.31Å; D480-P518 WeakPolarHBondContact O-CA 3.21Å; M482-P518 HydrophobicContact CB-CB 3.8Å; M482-P518 HydrophobicContact CB-CG 4.02Å; M482-P518 HydrophobicContact SD-CG 4.35Å; Q506-P518 WeakPolarHBondContact CG-O 3.36Å; Q506-P518 PolarHBondContact NE2-O 3.02Å; L509-P518 HydrophobicContact CD1-CG 4.27Å; Y516-P518 HydrophobicContact CD1-CG 4.09Å; Y516-P518 HydrophobicContact CE1-CB 4.19Å; Y516-P518 HydrophobicContact CE1-CG 3.48Å; Y516-P518 VanDerWaalsContact CE1-CG 3.48Å; Y516-P518 HydrophobicContact CE2-CB 4.18Å; Y516-P518 HydrophobicContact CE2-CG 4.31Å; P518-F520 HydrophobicContact CG-CE1 3.88Å; P518-F520 HydrophobicContact CG-CZ 4.2Å
519E85.2Confident83.3Confident76 Ų7656.4 Ų56.436%0.35530%0.297SS..EExtended strand (participates in β ladder)trans-83.5131.2163.8-160.8-173.5174.600109.2R434 D480 L481 M482R434-E519 IonicContact CZ-OE1 3.2Å; R434-E519 IonicContact CZ-OE2 3.99Å; R434-E519 IonicContact NH1-OE1 2.74Å; R434-E519 PolarHBondContact NH1-OE1 3.34Å; R434-E519 IonicContact NH2-OE1 2.9Å; R434-E519 PolarHBondContact NH2-OE1 2.87Å; R434-E519 IonicContact NH2-OE2 3.62Å; D480-E519 PolarHBondContact O-N 2.98Å; L481-E519 WeakPolarHBondContact CA-O 3.44Å; L481-E519 HydrophobicContact CD2-CB 3.95Å; M482-E519 PolarHBondContact N-O 3.03Å
520F87.8Confident83.1Confident1 Ų165.9 Ų65.90%0.00433%0.333CS..EExtended strand (participates in β ladder)trans-89.7136-175.7-54.5-70000112.6M482 I484 R502 M505 Q506 L509 P518 F522M482-F520 HydrophobicContact CB-CD1 4.1Å; M482-F520 HydrophobicContact CB-CE1 4.39Å; M482-F520 HydrophobicContact CG-CD1 4.34Å; M482-F520 CarbonylContact O-C 3.53Å; M482-F520 WeakPolarHBondContact O-CA 3.44Å; M482-F520 HydrophobicContact SD-CD1 4.18Å; M482-F520 HydrophobicContact SD-CE1 3.84Å; I484-F520 HydrophobicContact CD1-CD1 3.75Å; I484-F520 HydrophobicContact CD1-CE1 4.4Å; I484-F520 HydrophobicContact CD1-CG 4.37Å; R502-F520 HydrophobicContact CB-CD2 4.46Å; R502-F520 PolarHBondContact NH1-O 3.08Å; R502-F520 WeakPolarHBondContact O-CE2 3.37Å; M505-F520 HydrophobicContact CB-CD2 4.31Å; M505-F520 HydrophobicContact CB-CE1 4.48Å; M505-F520 HydrophobicContact CB-CE2 3.41Å; M505-F520 VanDerWaalsContact CB-CE2 3.41Å; M505-F520 HydrophobicContact CB-CZ 3.55Å; M505-F520 HydrophobicContact CE-CD1 4.33Å; M505-F520 HydrophobicContact CE-CE1 4.06Å; M505-F520 HydrophobicContact CE-CZ 4.21Å; Q506-F520 HydrophobicContact CB-CE2 4.49Å; Q506-F520 HydrophobicContact CG-CE2 3.71Å; Q506-F520 HydrophobicContact CG-CZ 4.19Å; L509-F520 HydrophobicContact CD1-CE1 3.63Å; L509-F520 HydrophobicContact CD1-CZ 3.57Å; P518-F520 HydrophobicContact CG-CE1 3.88Å; P518-F520 HydrophobicContact CG-CZ 4.2Å; F520-F522 HydrophobicContact CB-CE1 3.83Å; F520-F522 HydrophobicContact CB-CE2 4.32Å; F520-F522 HydrophobicContact CB-CZ 3.71Å; F520-F522 HydrophobicContact CG-CZ 4.41Å
521V86.4Confident82.9Confident3 Ų364.8 Ų64.82%0.01832%0.324CS..EExtended strand (participates in β ladder)trans-117121.1171.2-175.20000108.5P431 R434 V435 V438 L481 M482 L483 I484 I523P431-V521 HydrophobicContact CG-CG1 4.1Å; R434-V521 HydrophobicContact CB-CG1 4.28Å; R434-V521 HydrophobicContact CB-CG2 3.91Å; V435-V521 HydrophobicContact CG2-CG1 3.81Å; V438-V521 HydrophobicContact CG2-CB 4.38Å; V438-V521 HydrophobicContact CG2-CG2 3.88Å; L481-V521 HydrophobicContact CD2-CG2 4.2Å; M482-V521 PolarHBondContact O-N 2.95Å; L483-V521 WeakPolarHBondContact CA-O 3.36Å; I484-V521 PolarHBondContact N-O 2.79Å; V521-I523 HydrophobicContact CG1-CG2 4.5Å
522F88.8Confident82.7Confident1 Ų161.5 Ų61.50%0.00430%0.303CS..EExtended strand (participates in β ladder)trans-102.6132.9-177.9-53.3-59.5000110.6Y428 I484 F486 A495 D496 R502 F520Y428-F522 PolarHBondContact OH-O 2.88Å; I484-F522 HydrophobicContact CB-CD1 4.09Å; I484-F522 HydrophobicContact CB-CE1 4.45Å; I484-F522 HydrophobicContact CD1-CD1 4.29Å; I484-F522 HydrophobicContact CD1-CE1 3.83Å; I484-F522 WeakPolarHBondContact O-CA 3.39Å; F486-F522 HydrophobicContact CD2-CB 4.35Å; F486-F522 HydrophobicContact CE2-CB 3.96Å; F486-F522 AromaticContact CE2-CD1 3.49Å; F486-F522 HydrophobicContact CE2-CD1 3.49Å; F486-F522 VanDerWaalsContact CE2-CD1 3.49Å; F486-F522 HydrophobicContact CE2-CE1 4.18Å; F486-F522 AromaticContact CE2-CG 3.93Å; F486-F522 HydrophobicContact CE2-CG 3.93Å; F486-F522 HydrophobicContact CZ-CD1 4.14Å; F486-F522 HydrophobicContact CZ-CE1 4.4Å; A495-F522 HydrophobicContact CB-CD2 4.47Å; A495-F522 HydrophobicContact CB-CE2 4.44Å; A495-F522 WeakPolarHBondContact O-CE2 3.46Å; D496-F522 HydrophobicContact CB-CD2 3.99Å; R502-F522 HydrophobicContact CG-CE2 4.11Å; R502-F522 HydrophobicContact CG-CZ 4.26Å; F520-F522 HydrophobicContact CB-CE1 3.83Å; F520-F522 HydrophobicContact CB-CE2 4.32Å; F520-F522 HydrophobicContact CB-CZ 3.71Å; F520-F522 HydrophobicContact CG-CZ 4.41Å
523I86.9Confident82.4Confident0 Ų064.7 Ų64.70%032%0.317CS..EExtended strand (participates in β ladder)trans-133.8164.7176.269.2164.2000110.8V430 V435 L483 I484 A485 F486 V521 W528 L531V430-I523 HydrophobicContact CG1-CB 4.13Å; V430-I523 HydrophobicContact CG1-CG2 3.66Å; V435-I523 HydrophobicContact CG2-CG2 3.63Å; L483-I523 HydrophobicContact CD1-CD1 4.42Å; L483-I523 HydrophobicContact CD1-CG2 4.39Å; L483-I523 HydrophobicContact CD2-CD1 3.66Å; L483-I523 HydrophobicContact CD2-CG1 3.87Å; L483-I523 HydrophobicContact CG-CD1 4.42Å; L483-I523 HydrophobicContact CG-CG1 4.43Å; I484-I523 PolarHBondContact O-N 3.28Å; A485-I523 CarbonylContact C-O 3.57Å; A485-I523 VanDerWaalsContact CA-O 3.31Å; A485-I523 WeakPolarHBondContact CA-O 3.45Å; A485-I523 HydrophobicContact CB-CD1 4.46Å; A485-I523 HydrophobicContact CB-CG1 3.98Å; F486-I523 PolarHBondContact N-O 2.99Å; V521-I523 HydrophobicContact CG1-CG2 4.5Å; I523-W528 HydrophobicContact CD1-CB 3.77Å; I523-W528 HydrophobicContact CD1-CD2 4.15Å; I523-W528 HydrophobicContact CD1-CE3 3.54Å; I523-W528 HydrophobicContact CD1-CG 4.29Å; I523-W528 HydrophobicContact CD1-CZ3 4.4Å; I523-L531 HydrophobicContact CD1-CD1 4.37Å; I523-L531 HydrophobicContact CG2-CD1 4.47Å
524T86.9Confident82.4Confident20 Ų2064.5 Ų64.512%0.12332%0.321CS..EExtended strand (participates in β ladder)trans-85.7144.3168.961.90000110.3Y428 F486 E489 C492 E526 S527 W528Y428-T524 HydrophobicContact CD1-CG2 4.49Å; F486-T524 WeakPolarHBondContact O-CA 3.33Å; E489-T524 HydrophobicContact CB-CG2 4.1Å; E489-T524 HydrophobicContact CG-CG2 4.22Å; C492-T524 HydrophobicContact CB-CG2 4.26Å; T524-E526 PolarHBondContact O-N 2.86Å; T524-S527 PolarHBondContact N-OG 3.46Å; T524-S527 PolarHBondContact O-N 3.29Å; T524-S527 PolarHBondContact O-OG 3.33Å; T524-S527 WeakPolarHBondContact OG1-CB 3.42Å; T524-S527 PolarHBondContact OG1-OG 3.29Å; T524-W528 PolarHBondContact O-N 3.12Å
525R84.2Confident82.5Confident108 Ų10855 Ų5541%0.40828%0.279SS..THydrogen-bonded Turntrans-58.2-33.4179.5-161.3173.5-164.2161.811.2112.6E473 F486 D487 S527 W528 P529E473-R525 VanDerWaalsContact CD-NH2 3.26Å; E473-R525 IonicContact OE1-CZ 2.63Å; E473-R525 IonicContact OE1-NH1 3.98Å; E473-R525 IonicContact OE1-NH2 3.86Å; E473-R525 PolarHBondContact OE1-NH2 3.44Å; E473-R525 IonicContact OE2-CZ 3.82Å; E473-R525 IonicContact OE2-NH2 3.64Å; E473-R525 PolarHBondContact OE2-NH2 3.46Å; F486-R525 PolarHBondContact O-N 3.3Å; D487-R525 WeakPolarHBondContact OD1-CD 3.22Å; D487-R525 IonicContact OD1-CZ 3.9Å; D487-R525 IonicContact OD1-NE 3.01Å; D487-R525 IonicContact OD1-NH1 3.95Å; D487-R525 PolarHBondContact OD1-NH1 3.44Å; D487-R525 IonicContact OD2-NH1 2.91Å; R525-S527 VanDerWaalsContact C-N 3.3Å; R525-S527 PolarHBondContact O-N 3.03Å; R525-W528 PolarHBondContact O-N 2.87Å; R525-P529 WeakPolarHBondContact O-CD 3.4Å
526E82.1Confident82.8Confident172 Ų17254.4 Ų54.480%0.80426%0.261SS*.THydrogen-bonded Turntrans-64.2-31.4174.9-64.2-170.6167.900113.6T524T524-E526 PolarHBondContact O-N 2.86Å
527S81.2Confident82.3Confident18 Ų1857.6 Ų57.613%0.12629%0.285CS..THydrogen-bonded Turntrans-79.4-23.3-17970.50000113T524 R525 R530 L531T524-S527 PolarHBondContact N-OG 3.46Å; T524-S527 PolarHBondContact O-N 3.29Å; T524-S527 PolarHBondContact O-OG 3.33Å; T524-S527 WeakPolarHBondContact OG1-CB 3.42Å; T524-S527 PolarHBondContact OG1-OG 3.29Å; R525-S527 VanDerWaalsContact C-N 3.3Å; R525-S527 PolarHBondContact O-N 3.03Å; S527-R530 PolarHBondContact O-N 2.83Å; S527-L531 WeakPolarHBondContact O-CG 3.1Å; S527-L531 PolarHBondContact O-N 3.24Å; S527-L531 VanDerWaalsContact O-N 3.08Å
528W82.9Confident81.8Confident34 Ų3459.9 Ų59.913%0.12929%0.29CS..Hα-helixtrans-58.2-49.1-172.3175.8-124.1000114.8V435 L439 M475 A476 L483 I523 T524 R525 R530 L531 R532V435-W528 HydrophobicContact CG1-CZ3 4.47Å; L439-W528 HydrophobicContact CD1-CZ3 4.41Å; L439-W528 HydrophobicContact CD2-CH2 3.68Å; L439-W528 HydrophobicContact CD2-CZ3 4.26Å; L439-W528 HydrophobicContact CG-CH2 4.42Å; M475-W528 HydrophobicContact CB-CD2 4.45Å; M475-W528 HydrophobicContact CB-CH2 4.28Å; M475-W528 HydrophobicContact CB-CZ2 3.96Å; A476-W528 HydrophobicContact CB-CH2 4.36Å; L483-W528 HydrophobicContact CD1-CZ3 3.98Å; L483-W528 HydrophobicContact CD2-CE3 4.14Å; L483-W528 HydrophobicContact CD2-CH2 4.41Å; L483-W528 HydrophobicContact CD2-CZ3 3.88Å; I523-W528 HydrophobicContact CD1-CB 3.77Å; I523-W528 HydrophobicContact CD1-CD2 4.15Å; I523-W528 HydrophobicContact CD1-CE3 3.54Å; I523-W528 HydrophobicContact CD1-CG 4.29Å; I523-W528 HydrophobicContact CD1-CZ3 4.4Å; T524-W528 PolarHBondContact O-N 3.12Å; R525-W528 PolarHBondContact O-N 2.87Å; W528-R530 VanDerWaalsContact C-N 3.28Å; W528-R530 PolarHBondContact O-N 3.45Å; W528-L531 PolarHBondContact O-N 3.04Å; W528-R532 WeakPolarHBondContact O-CB 3.4Å; W528-R532 PolarHBondContact O-N 2.85Å
529P81Confident81Confident73 Ų7364.7 Ų64.747%0.47431%0.312SS..Hα-helixtrans-61-39.7-178.3-21.833.1000112.2R525 Q533R525-P529 WeakPolarHBondContact O-CD 3.4Å; P529-Q533 WeakPolarHBondContact O-CB 3.49Å; P529-Q533 WeakPolarHBondContact O-CG 3.34Å; P529-Q533 PolarHBondContact O-N 2.79Å
530R82.7Confident79.3Confident200 Ų20069.1 Ų69.176%0.75533%0.333SS*.Hα-helixtrans-67-43179.5-66.4-177.1179.3167.12.7111.7S527 W528 A534S527-R530 PolarHBondContact O-N 2.83Å; W528-R530 VanDerWaalsContact C-N 3.28Å; W528-R530 PolarHBondContact O-N 3.45Å; R530-A534 VanDerWaalsContact O-CB 3.32Å; R530-A534 WeakPolarHBondContact O-CB 3.44Å; R530-A534 PolarHBondContact O-N 2.86Å
531L80.7Confident77.3Confident18 Ų1877 Ų779%0.09438%0.375CS..Hα-helixtrans-66.6-42.9178.8-69.3168.9000111.6V430 T432 V435 I523 S527 W528 A534 F535V430-L531 HydrophobicContact CG1-CD1 3.79Å; T432-L531 HydrophobicContact CG2-CD2 3.58Å; V435-L531 HydrophobicContact CG1-CB 4.31Å; V435-L531 HydrophobicContact CG1-CD1 4.32Å; V435-L531 HydrophobicContact CG2-CD1 4.45Å; I523-L531 HydrophobicContact CD1-CD1 4.37Å; I523-L531 HydrophobicContact CG2-CD1 4.47Å; S527-L531 WeakPolarHBondContact O-CG 3.1Å; S527-L531 PolarHBondContact O-N 3.24Å; S527-L531 VanDerWaalsContact O-N 3.08Å; W528-L531 PolarHBondContact O-N 3.04Å; L531-A534 PolarHBondContact O-N 3.4Å; L531-F535 PolarHBondContact O-N 3.47Å
532R78.3Confident75.2Confident80 Ų8085.7 Ų85.730%0.30241%0.407SS..Hα-helixtrans-64.7-45.2177.7-171.3-180178.1-166.50.8111.8W528 A534 F535 V536 A545W528-R532 WeakPolarHBondContact O-CB 3.4Å; W528-R532 PolarHBondContact O-N 2.85Å; R532-A534 PolarHBondContact O-N 3.14Å; R532-F535 PolarHBondContact O-N 3.47Å; R532-V536 VanDerWaalsContact O-CG2 3.22Å; R532-V536 WeakPolarHBondContact O-CG2 3.48Å; R532-V536 PolarHBondContact O-N 3.04Å; R532-A545 PolarHBondContact NH2-O 3.3Å; R532-A545 VanDerWaalsContact NH2-O 3.12Å
533Q77.6Confident72.6Confident139 Ų13992 Ų9265%0.6545%0.448SS*.Hα-helixtrans-61.7-42.8175.7-79179.5-15.300111.9P529 F535 V536 S537P529-Q533 WeakPolarHBondContact O-CB 3.49Å; P529-Q533 WeakPolarHBondContact O-CG 3.34Å; P529-Q533 PolarHBondContact O-N 2.79Å; Q533-F535 PolarHBondContact O-N 3.39Å; Q533-V536 PolarHBondContact O-N 3.07Å; Q533-S537 WeakPolarHBondContact O-CB 3.43Å; Q533-S537 PolarHBondContact O-N 3.43Å; Q533-S537 PolarHBondContact O-OG 2.96Å
534A78.8Confident70.4Confident30 Ų3094.5 Ų94.525%0.24846%0.464CS..Hα-helixtrans-61.7-41.8176.600000112.2Y436 R530 L531 R532 S537 Q538Y436-A534 VanDerWaalsContact OH-CB 3.22Å; Y436-A534 WeakPolarHBondContact OH-CB 3.26Å; R530-A534 VanDerWaalsContact O-CB 3.32Å; R530-A534 WeakPolarHBondContact O-CB 3.44Å; R530-A534 PolarHBondContact O-N 2.86Å; L531-A534 PolarHBondContact O-N 3.4Å; R532-A534 PolarHBondContact O-N 3.14Å; A534-S537 PolarHBondContact O-N 2.83Å; A534-S537 PolarHBondContact O-OG 2.78Å; A534-Q538 PolarHBondContact O-N 2.83Å
535F78.9Confident67.9Low10 Ų1097.7 Ų97.74%0.04449%0.492CS..Hα-helixtrans-63-48176.2-175.8-103.2000112.4Y436 L439 L531 R532 Q533 S537 Q538 H539 V544Y436-F535 HydrophobicContact CD1-CB 3.75Å; Y436-F535 AromaticContact CD1-CD2 3.46Å; Y436-F535 HydrophobicContact CD1-CD2 3.46Å; Y436-F535 VanDerWaalsContact CD1-CD2 3.46Å; Y436-F535 HydrophobicContact CD1-CE2 4.46Å; Y436-F535 HydrophobicContact CD1-CG 4.02Å; Y436-F535 HydrophobicContact CE1-CB 3.71Å; Y436-F535 HydrophobicContact CE1-CD2 4.2Å; Y436-F535 HydrophobicContact CE1-CG 4.45Å; Y436-F535 AromaticContact CG-CD2 3.84Å; Y436-F535 HydrophobicContact CG-CD2 3.84Å; Y436-F535 WeakPolarHBondContact O-CE2 3.28Å; L439-F535 HydrophobicContact CB-CD1 3.87Å; L439-F535 HydrophobicContact CB-CD2 4.15Å; L439-F535 HydrophobicContact CB-CE1 3.73Å; L439-F535 HydrophobicContact CB-CE2 4Å; L439-F535 HydrophobicContact CB-CG 4.07Å; L439-F535 HydrophobicContact CB-CZ 3.79Å; L439-F535 HydrophobicContact CD1-CB 3.75Å; L439-F535 HydrophobicContact CD1-CD1 4Å; L439-F535 HydrophobicContact CD1-CD2 4.25Å; L439-F535 HydrophobicContact CD1-CG 3.74Å; L439-F535 HydrophobicContact CG-CD1 4.47Å; L531-F535 PolarHBondContact O-N 3.47Å; R532-F535 PolarHBondContact O-N 3.47Å; Q533-F535 PolarHBondContact O-N 3.39Å; F535-S537 VanDerWaalsContact C-N 3.27Å; F535-S537 PolarHBondContact O-N 3.12Å; F535-Q538 PolarHBondContact O-N 3.38Å; F535-H539 AromaticContact CD2-CD2 3.71Å; F535-H539 AromaticContact CE2-CD2 3.33Å; F535-H539 WeakPolarHBondContact CE2-CD2 3.29Å; F535-H539 AromaticContact CE2-NE2 3.91Å; F535-H539 HydrophobicContact CZ-CB 4.44Å; F535-H539 AromaticContact CZ-CD2 3.78Å; F535-H539 PolarHBondContact O-N 3.08Å; F535-V544 HydrophobicContact CE1-CG2 4.14Å
536V78.5Confident65.4Low61 Ų6196.1 Ų96.137%0.3750%0.502SS..Hα-helixtrans-61.8-37.7179.5176.20000110.7R532 Q533 Q538R532-V536 VanDerWaalsContact O-CG2 3.22Å; R532-V536 WeakPolarHBondContact O-CG2 3.48Å; R532-V536 PolarHBondContact O-N 3.04Å; Q533-V536 PolarHBondContact O-N 3.07Å; V536-Q538 VanDerWaalsContact C-N 3.34Å; V536-Q538 PolarHBondContact O-N 2.97Å
537S74.2Confident62.9Low81 Ų8196 Ų9657%0.56650%0.501SS*.Hα-helixtrans-67.7-29.2177.972.40000114.2Q533 A534 F535Q533-S537 WeakPolarHBondContact O-CB 3.43Å; Q533-S537 PolarHBondContact O-N 3.43Å; Q533-S537 PolarHBondContact O-OG 2.96Å; A534-S537 PolarHBondContact O-N 2.83Å; A534-S537 PolarHBondContact O-OG 2.78Å; F535-S537 VanDerWaalsContact C-N 3.27Å; F535-S537 PolarHBondContact O-N 3.12Å
538Q71.5Confident60.4Low132 Ų132100.7 Ų100.762%0.61753%0.53SS*.Hα-helixtrans-88.8-33.3178.9-72.5-176.50.200112.9A534 F535 V536A534-Q538 PolarHBondContact O-N 2.83Å; F535-Q538 PolarHBondContact O-N 3.38Å; V536-Q538 VanDerWaalsContact C-N 3.34Å; V536-Q538 PolarHBondContact O-N 2.97Å
539H66.2Low57.8Low102 Ų102106.9 Ų106.947%0.47257%0.565SS.*  trans-107.165-179.3-74.9-71.5000111.2F535 D541F535-H539 AromaticContact CD2-CD2 3.71Å; F535-H539 AromaticContact CE2-CD2 3.33Å; F535-H539 WeakPolarHBondContact CE2-CD2 3.29Å; F535-H539 AromaticContact CE2-NE2 3.91Å; F535-H539 HydrophobicContact CZ-CB 4.44Å; F535-H539 AromaticContact CZ-CD2 3.78Å; F535-H539 PolarHBondContact O-N 3.08Å; H539-D541 PolarHBondContact O-N 3.37Å; H539-D541 VanDerWaalsContact O-N 3.14Å
540H49.5Very low55.2Low168 Ų168111.1 Ų111.178%0.77858%0.579SS**THydrogen-bonded Turntrans-70.4-3.1-178.8-138.7-63.4000114.4
541D45.5Very low52.6Low168 Ų168107.6 Ų107.690%0.89858%0.58SS**THydrogen-bonded Turntrans-107.66.1-173-95.5-20.2000115.5H539H539-D541 PolarHBondContact O-N 3.37Å; H539-D541 VanDerWaalsContact O-N 3.14Å
542R42.1Very low50.1Low184 Ų184114.1 Ų114.169%0.69462%0.615SS**SBendtrans-125.1135.7170-88.8-176.6175.6-179.4-0.4111V544R542-V544 VanDerWaalsContact C-N 3.27Å; R542-V544 PolarHBondContact O-N 3Å
543P35.9Very low47.7Very low133 Ų133117.5 Ų117.586%0.86464%0.639SS**  trans-71.388.1175.930-31.1000108.5A545P543-A545 PolarHBondContact O-N 3.26Å
544V40.1Very low45.5Very low54 Ų54118.9 Ų118.933%0.32765%0.645SS.*  trans-71.7118.1156.2-179.70000104.9F535 R542 A546F535-V544 HydrophobicContact CE1-CG2 4.14Å; R542-V544 VanDerWaalsContact C-N 3.27Å; R542-V544 PolarHBondContact O-N 3Å; V544-A546 PolarHBondContact O-N 2.92Å
545A34.1Very low43Very low87 Ų87125.6 Ų125.672%0.71968%0.675SS**  trans-53.8103.9173.900000108.8R532 P543R532-A545 PolarHBondContact NH2-O 3.3Å; R532-A545 VanDerWaalsContact NH2-O 3.12Å; P543-A545 PolarHBondContact O-N 3.26Å
546A31.6Very low40.8Very low74 Ų74131.1 Ų131.161%0.61271%0.71SS**  trans-89.7103.7179.200000107.4V544V544-A546 PolarHBondContact O-N 2.92Å
547E29.8Very low38.5Very low169 Ų169135.7 Ų135.779%0.7973%0.732SS**  trans-85.4102150.3-81.5176.1-179.600106.5N549E547-N549 PolarHBondContact O-N 3.21Å
548T28.4Very low36.5Very low118 Ų118139 Ų13972%0.72474%0.741SS**  trans-66106.9159.438.70000108.2E550T548-E550 VanDerWaalsContact C-N 3.33Å; T548-E550 PolarHBondContact O-N 3.19Å
549N27.8Very low34.7Very low163 Ų163138.4 Ų138.487%0.87275%0.749SS**  trans-89.681.3156.5-89.6-2.7000107.6E547E547-N549 PolarHBondContact O-N 3.21Å
550E27.4Very low33.2Very low162 Ų162140.9 Ų140.976%0.75776%0.761SS**  trans-130.9155.2154-76.9-170.7167.500106.9T548T548-E550 VanDerWaalsContact C-N 3.33Å; T548-E550 PolarHBondContact O-N 3.19Å
551T28.7Very low32.8Very low126 Ų126141.9 Ų141.977%0.77377%0.766SS**  trans80.3108.5173.968.60000116.7D553T551-D553 PolarHBondContact O-N 3.09Å
552D26.7Very low32.6Very low156 Ų156139.3 Ų139.383%0.83476%0.756SS**  trans-13.9114.7132.8-76.7-38000111.4
553D29.1Very low33.3Very low150 Ų150135.4 Ų135.480%0.80275%0.749SS**  trans-174.3138.9143-90.5-28000110T551T551-D553 PolarHBondContact O-N 3.09Å
554E30.5Very low34.8Very low168 Ų168136.2 Ų136.279%0.78574%0.741SS**  trans21.6119.9158.4-68.2-179.5144.700120.2T556E554-T556 PolarHBondContact O-N 3.44Å
555I26.5Very low36.3Very low171 Ų171138.5 Ų138.588%0.87776%0.755SS**  trans-57.3103.3162.9-59.6163.5000109.1
556T32.3Very low38Very low127 Ų127136.2 Ų136.278%0.77973%0.732SS**  trans-105.4119.7161.541.10000110.2E554E554-T556 PolarHBondContact O-N 3.44Å
557L31.7Very low39.9Very low157 Ų157139.2 Ų139.282%0.82273%0.734SS**PPolyproline II helixtrans-57.3136.8179.2-70.4122.8000112.4
558I30.7Very low42Very low151 Ų151137.2 Ų137.277%0.77472%0.724SS**PPolyproline II helixtrans-66.2134.3162.9-58169000107.1E560I558-E560 PolarHBondContact O-N 3.45Å
559P33.6Very low44.2Very low119 Ų119133 Ų13377%0.77370%0.701SS**PPolyproline II helixtrans-63120174.7-14.928000109.5E561P559-E561 PolarHBondContact O-N 3.28Å
560E35.5Very low46.4Very low154 Ų154131 Ų13172%0.7268%0.684SS**PPolyproline II helixtrans-55.3128.7172.7-71.1172.4166.100110.1I558 T562I558-E560 PolarHBondContact O-N 3.45Å; E560-T562 PolarHBondContact O-N 3.46Å
561E40.3Very low48.9Very low189 Ų189127.8 Ų127.888%0.88368%0.68SS**  trans-54.9112.9158.8-76.7-175.7156.300107.3P559 N563P559-E561 PolarHBondContact O-N 3.28Å; E561-N563 PolarHBondContact O-N 2.94Å
562T41.9Very low51.3Low114 Ų114128 Ų12870%0.69968%0.676SS**  trans-52.5102.1-179.640.10000109.9E560 E564E560-T562 PolarHBondContact O-N 3.46Å; T562-E564 PolarHBondContact O-N 3.06Å
563N56.6Low53.8Low102 Ų102126.8 Ų126.855%0.54566%0.664SS.*  trans-71.497.8176.3-154.5-15000107.1E561 V565 V566 E567E561-N563 PolarHBondContact O-N 2.94Å; N563-V565 PolarHBondContact O-N 3.43Å; N563-V566 HydrophobicContact CB-CB 4.27Å; N563-V566 HydrophobicContact CB-CG2 3.84Å; N563-V566 WeakPolarHBondContact O-CB 3.3Å; N563-V566 PolarHBondContact O-N 2.94Å; N563-E567 PolarHBondContact O-N 2.86Å
564E67.2Low56.1Low150 Ų150121.5 Ų121.570%0.70164%0.644SS**Hα-helixtrans-49.2-29.1-178.7-76-174.8150.200112.6T562 E567 Q568T562-E564 PolarHBondContact O-N 3.06Å; E564-E567 PolarHBondContact O-N 3.42Å; E564-Q568 WeakPolarHBondContact O-CG 3.33Å; E564-Q568 PolarHBondContact O-N 2.78Å
565V71.6Confident58.1Low101 Ų101122 Ų12261%0.61265%0.652SS**Hα-helixtrans-65.8-37176.9-175.30000112N563 A569N563-V565 PolarHBondContact O-N 3.43Å; V565-A569 WeakPolarHBondContact O-CB 3.24Å; V565-A569 PolarHBondContact O-N 3.32Å
566V69.7Low60.4Low39 Ų39121.2 Ų121.224%0.23665%0.649CS.*Hα-helixtrans-73.3-37.4179.51770000111N563 A569 K570 I579N563-V566 HydrophobicContact CB-CB 4.27Å; N563-V566 HydrophobicContact CB-CG2 3.84Å; N563-V566 WeakPolarHBondContact O-CB 3.3Å; N563-V566 PolarHBondContact O-N 2.94Å; V566-A569 PolarHBondContact O-N 2.89Å; V566-K570 WeakPolarHBondContact O-CB 3.32Å; V566-K570 WeakPolarHBondContact O-CG 3.42Å; V566-K570 PolarHBondContact O-N 3.33Å; V566-I579 HydrophobicContact CG1-CD1 3.37Å; V566-I579 HydrophobicContact CG1-CG1 4.2Å
567E71.5Confident62.2Low138 Ų138117.4 Ų117.465%0.64563%0.625SS**Hα-helixtrans-66.4-42.9172.5-77.7-151.814800112.1N563 E564 A569 K570 S571N563-E567 PolarHBondContact O-N 2.86Å; E564-E567 PolarHBondContact O-N 3.42Å; E567-A569 VanDerWaalsContact C-N 3.34Å; E567-A569 PolarHBondContact O-N 3.28Å; E567-K570 PolarHBondContact O-N 3.47Å; E567-S571 PolarHBondContact O-N 3.45Å
568Q75Confident64Low126 Ų126116.2 Ų116.259%0.58963%0.625SS**Hα-helixtrans-62.3-41.5175.1-76-176.72.500111.8E564 S571 L572E564-Q568 WeakPolarHBondContact O-CG 3.33Å; E564-Q568 PolarHBondContact O-N 2.78Å; Q568-S571 PolarHBondContact O-N 3.46Å; Q568-S571 PolarHBondContact O-OG 2.74Å; Q568-L572 PolarHBondContact O-N 2.74Å; Q568-L572 VanDerWaalsContact O-N 3.11Å
569A73.8Confident66Low29 Ų29112.8 Ų112.824%0.2461%0.607CS.*Hα-helixtrans-62.4-44.8175.600000111.8V565 V566 E567 S571 L572 F573V565-A569 WeakPolarHBondContact O-CB 3.24Å; V565-A569 PolarHBondContact O-N 3.32Å; V566-A569 PolarHBondContact O-N 2.89Å; E567-A569 VanDerWaalsContact C-N 3.34Å; E567-A569 PolarHBondContact O-N 3.28Å; A569-S571 VanDerWaalsContact C-N 3.32Å; A569-S571 PolarHBondContact O-N 3.43Å; A569-L572 PolarHBondContact O-N 3.48Å; A569-F573 WeakPolarHBondContact O-CD2 3.27Å; A569-F573 PolarHBondContact O-N 3.35Å
570K74.3Confident67.8Low121 Ų121115.9 Ų115.953%0.52661%0.609SS.*Hα-helixtrans-62-36.6174.5-79.6179.4177170.20112.5V566 E567 G574V566-K570 WeakPolarHBondContact O-CB 3.32Å; V566-K570 WeakPolarHBondContact O-CG 3.42Å; V566-K570 PolarHBondContact O-N 3.33Å; E567-K570 PolarHBondContact O-N 3.47Å; K570-G574 WeakPolarHBondContact O-CA 3.37Å; K570-G574 PolarHBondContact O-N 3.49Å; K570-G574 VanDerWaalsContact O-N 3.09Å
571S79.1Confident69.2Low96 Ų96115 Ų11567%0.67161%0.609SS**Hα-helixtrans-69.2-31.9177.283.70000113.7E567 Q568 A569E567-S571 PolarHBondContact O-N 3.45Å; Q568-S571 PolarHBondContact O-N 3.46Å; Q568-S571 PolarHBondContact O-OG 2.74Å; A569-S571 VanDerWaalsContact C-N 3.32Å; A569-S571 PolarHBondContact O-N 3.43Å
572L79.6Confident69.9Low130 Ų130117.3 Ų117.368%0.68163%0.627SS**Hα-helixtrans-86.3-37.9-175.1-78.5167000112.4Q568 A569Q568-L572 PolarHBondContact O-N 2.74Å; Q568-L572 VanDerWaalsContact O-N 3.11Å; A569-L572 PolarHBondContact O-N 3.48Å
573F79Confident71.3Confident131 Ų131117.5 Ų117.558%0.57562%0.624SS**Hα-helixtrans-115.1-3.5-169-60.1-76.5000114A569 L576 V577A569-F573 WeakPolarHBondContact O-CD2 3.27Å; A569-F573 PolarHBondContact O-N 3.35Å; F573-L576 WeakPolarHBondContact O-CB 3.33Å; F573-L576 PolarHBondContact O-N 3.36Å; F573-V577 HydrophobicContact CB-CG2 3.56Å; F573-V577 HydrophobicContact CG-CG2 4.5Å
574G77.6Confident72.1Confident38 Ų38118.3 Ų118.339%0.39263%0.628SS.*G310 helixtrans53.9-139.2178.100000112.6K570 L576 V577K570-G574 WeakPolarHBondContact O-CA 3.37Å; K570-G574 PolarHBondContact O-N 3.49Å; K570-G574 VanDerWaalsContact O-N 3.09Å; G574-L576 PolarHBondContact O-N 2.96Å; G574-V577 PolarHBondContact O-N 3.35Å
575D72.3Confident72.3Confident180 Ų180116.5 Ų116.596%0.96362%0.624SS**G310 helixtrans-67.61.1-175.7-58.5-20.2000114.6
576L74.4Confident72.4Confident153 Ų153117.4 Ų117.480%0.80162%0.624SS**G310 helixtrans-84.7-6.9177.6-70.6160.2000113.7F573 G574 T578F573-L576 WeakPolarHBondContact O-CB 3.33Å; F573-L576 PolarHBondContact O-N 3.36Å; G574-L576 PolarHBondContact O-N 2.96Å; L576-T578 PolarHBondContact O-N 3.42Å
577V71.5Confident72.6Confident47 Ų47122.3 Ų122.329%0.28565%0.648SS.*  trans-83.8113.8-178-173.50000110.7F573 G574 I579F573-V577 HydrophobicContact CB-CG2 3.56Å; F573-V577 HydrophobicContact CG-CG2 4.5Å; G574-V577 PolarHBondContact O-N 3.35Å; V577-I579 HydrophobicContact CG1-CG1 4.06Å
578T69Low72.6Confident132 Ų132121.3 Ų121.381%0.8165%0.649SS**  trans-97.7110.1166.6-25.70000108.6L576L576-T578 PolarHBondContact O-N 3.42Å
579I71.3Confident72.5Confident80 Ų80120.9 Ų120.941%0.4165%0.653SS.*  trans-83.8125173.6-56.7162.5000106.8V566 V577V566-I579 HydrophobicContact CG1-CD1 3.37Å; V566-I579 HydrophobicContact CG1-CG1 4.2Å; V577-I579 HydrophobicContact CG1-CG1 4.06Å
580K72.1Confident72.4Confident184 Ų184128 Ų12880%0.869%0.685SS**  trans-104.6124.1166.6-78.8-174.7174.1-176.60107
581D65.8Low72.2Confident136 Ų136128.6 Ų128.673%0.72770%0.698SS**  trans-73.4122.2165.8-57.1-37.5000107.3
582D54.5Low71.6Confident236 Ų236131.5 Ų131.5100%1.26270%0.7SS**  trans-76.30171.5-99.3-8.5000111.4

Retrieved 582 of 582 residues in 448.6 ms (Link to these results)

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