A0A077ZAG6_TRITR Loading...

Molybdenum cofactor sulfurase

AlphaFold DB , UniProt , Accession A0A077ZAG6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 675 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
1M38.8Very low82.7Confident226 Ų22658.4 Ų58.4100%1.11331%0.308SS*.  0144.70-70.3-169.8-161.300107.6
2P52.5Low83.5Confident79 Ų7957.3 Ų57.351%0.51331%0.306SS..  trans-57.3141.7176.923.3-30.7000110F4P2-F4 HydrophobicContact CB-CD1 4.36Å; P2-F4 HydrophobicContact CB-CE1 4.18Å; P2-F4 HydrophobicContact CB-CZ 4.33Å; P2-F4 PolarHBondContact O-N 3.19Å
3L74.5Confident84.3Confident164 Ų16453.5 Ų53.586%0.85929%0.286SS*.SBendtrans-74.15.5178.4-86.9146.7000112.9
4F87.9Confident84.9Confident73 Ų7353.4 Ų53.432%0.3228%0.283SS..SBendtrans-147159.5-172.959.4-89.7000110.4P2 Y6 D347 Q349P2-F4 HydrophobicContact CB-CD1 4.36Å; P2-F4 HydrophobicContact CB-CE1 4.18Å; P2-F4 HydrophobicContact CB-CZ 4.33Å; P2-F4 PolarHBondContact O-N 3.19Å; F4-Y6 HydrophobicContact CE2-CD2 4.17Å; F4-Y6 HydrophobicContact CE2-CG 4.38Å; F4-D347 CarbonylContact C-O 3.52Å; F4-D347 VanDerWaalsContact CA-O 3.26Å; F4-D347 WeakPolarHBondContact CA-O 3.47Å; F4-D347 HydrophobicContact CB-CB 4.08Å; F4-D347 VanDerWaalsContact CB-O 3.24Å; F4-D347 WeakPolarHBondContact CB-O 3.4Å; F4-Q349 HydrophobicContact CD2-CG 3.8Å; F4-Q349 HydrophobicContact CE2-CG 4.42Å; F4-Q349 HydrophobicContact CG-CG 4.4Å
5T94.7Very high85.5Confident2 Ų258.1 Ų58.11%0.01230%0.296CS..EExtended strand (participates in β ladder)trans-97.6120.4171-82.70000109.3L7 D347 Q349 D404 R407T5-L7 HydrophobicContact CG2-CD1 4Å; T5-L7 HydrophobicContact CG2-CD2 4.05Å; T5-L7 HydrophobicContact CG2-CG 3.8Å; T5-D347 PolarHBondContact N-O 3.21Å; T5-Q349 PolarHBondContact O-N 2.88Å; T5-D404 HydrophobicContact CG2-CB 3.8Å; T5-D404 PolarHBondContact OG1-OD1 3.44Å; T5-R407 WeakPolarHBondContact OG1-CD 3.27Å
6Y96Very high85.9Confident35 Ų3556.8 Ų56.814%0.13729%0.292CS..EExtended strand (participates in β ladder)trans-99.6120.6-177.5-170.4-107000111.8F4 D8 H9 T12 E14 Q349F4-Y6 HydrophobicContact CE2-CD2 4.17Å; F4-Y6 HydrophobicContact CE2-CG 4.38Å; Y6-D8 HydrophobicContact CE2-CB 4.16Å; Y6-D8 PolarHBondContact OH-O 2.85Å; Y6-H9 AromaticContact CD1-CD2 3.74Å; Y6-H9 AromaticContact CD1-CE1 3.71Å; Y6-H9 AromaticContact CD1-NE2 3.48Å; Y6-H9 WeakPolarHBondContact CD1-NE2 3.4Å; Y6-H9 PolarHBondContact O-CD2 2.86Å; Y6-H9 PolarHBondContact O-NE2 2.66Å; Y6-T12 WeakPolarHBondContact CE1-O 3.17Å; Y6-T12 WeakPolarHBondContact OH-CG2 3.42Å; Y6-T12 PolarHBondContact OH-O 3.15Å; Y6-E14 HydrophobicContact CD1-CG 3.7Å; Y6-E14 HydrophobicContact CE1-CG 4.05Å; Y6-E14 HydrophobicContact CG-CG 4.16Å; Y6-Q349 HydrophobicContact CD2-CB 3.82Å; Y6-Q349 HydrophobicContact CD2-CG 4.38Å; Y6-Q349 HydrophobicContact CE2-CB 4.37Å
7L96.9Very high86.3Confident0 Ų061 Ų610%032%0.315CS..  trans-128.222.5-175.7-58.7173.9000112.9T5 I348 Q349 I394 S395 F396 D404 F408T5-L7 HydrophobicContact CG2-CD1 4Å; T5-L7 HydrophobicContact CG2-CD2 4.05Å; T5-L7 HydrophobicContact CG2-CG 3.8Å; L7-I348 HydrophobicContact CD1-CG2 3.82Å; L7-Q349 CarbonylContact C-O 3.56Å; L7-Q349 WeakPolarHBondContact CA-O 2.98Å; L7-Q349 WeakPolarHBondContact CB-O 3.12Å; L7-Q349 PolarHBondContact N-O 3.37Å; L7-I394 HydrophobicContact CB-CB 4.01Å; L7-I394 HydrophobicContact CB-CG2 3.97Å; L7-I394 HydrophobicContact CD1-CB 4.27Å; L7-I394 HydrophobicContact CD1-CG2 3.77Å; L7-I394 HydrophobicContact CG-CG2 4.48Å; L7-I394 CarbonylContact O-C 3.54Å; L7-I394 WeakPolarHBondContact O-CA 3.25Å; L7-S395 CarbonylContact C-O 3.46Å; L7-S395 WeakPolarHBondContact CA-O 3.37Å; L7-S395 PolarHBondContact O-N 3.37Å; L7-S395 PolarHBondContact O-OG 2.95Å; L7-F396 HydrophobicContact CD2-CD1 3.89Å; L7-F396 HydrophobicContact CD2-CE1 3.41Å; L7-F396 VanDerWaalsContact CD2-CE1 3.41Å; L7-F396 HydrophobicContact CD2-CZ 3.98Å; L7-D404 HydrophobicContact CD2-CB 4.32Å; L7-F408 HydrophobicContact CD1-CB 3.88Å; L7-F408 HydrophobicContact CD1-CD2 3.78Å; L7-F408 HydrophobicContact CD1-CG 3.97Å
8D94.9Very high86.6Confident16 Ų1663.9 Ų63.99%0.08633%0.327CS..BIsolated β-bridgetrans-111.232.2176.5-164.624.5000114.1Y6 A10 A11 T12 R351 R393 S395Y6-D8 HydrophobicContact CE2-CB 4.16Å; Y6-D8 PolarHBondContact OH-O 2.85Å; D8-A10 PolarHBondContact O-N 2.66Å; D8-A10 VanDerWaalsContact O-N 3.11Å; D8-A11 VanDerWaalsContact CG-CB 3.5Å; D8-A11 PolarHBondContact O-N 3.02Å; D8-A11 WeakPolarHBondContact OD1-CB 3.24Å; D8-A11 VanDerWaalsContact OD2-CB 3.24Å; D8-A11 WeakPolarHBondContact OD2-CB 3.41Å; D8-T12 PolarHBondContact O-N 3.01Å; D8-T12 VanDerWaalsContact O-O 3.08Å; D8-R351 VanDerWaalsContact CG-CD 3.46Å; D8-R351 WeakPolarHBondContact OD1-CB 3.1Å; D8-R351 VanDerWaalsContact OD1-CD 3.26Å; D8-R351 WeakPolarHBondContact OD1-CD 3.42Å; D8-R351 WeakPolarHBondContact OD2-CD 3.34Å; D8-R351 IonicContact OD2-NE 3.54Å; D8-R351 IonicContact OD2-NH1 2.93Å; D8-R351 PolarHBondContact OD2-NH1 2.96Å; D8-R393 IonicContact OD1-CZ 2.76Å; D8-R393 IonicContact OD1-NE 3.65Å; D8-R393 IonicContact OD1-NH2 3.77Å; D8-R393 PolarHBondContact OD1-NH2 2.86Å; D8-S395 VanDerWaalsContact C-OG 3.24Å; D8-S395 WeakPolarHBondContact CA-OG 3.27Å
9H94.9Very high87Confident11 Ų1160.7 Ų60.75%0.05131%0.311CS..THydrogen-bonded Turntrans-56.1-25.1178.9-71.7-84.7000115.7Y6 A11 T12 T13 S395 F396 G397 T399 S400Y6-H9 AromaticContact CD1-CD2 3.74Å; Y6-H9 AromaticContact CD1-CE1 3.71Å; Y6-H9 AromaticContact CD1-NE2 3.48Å; Y6-H9 WeakPolarHBondContact CD1-NE2 3.4Å; Y6-H9 PolarHBondContact O-CD2 2.86Å; Y6-H9 PolarHBondContact O-NE2 2.66Å; H9-A11 VanDerWaalsContact C-N 3.35Å; H9-T12 VanDerWaalsContact CA-O 3.29Å; H9-T12 WeakPolarHBondContact CA-O 3.22Å; H9-T12 CarbonylContact O-C 3.43Å; H9-T13 PolarHBondContact ND1-OG1 2.84Å; H9-S395 PolarHBondContact CD2-O 2.84Å; H9-S395 PolarHBondContact N-OG 3.31Å; H9-F396 VanDerWaalsContact CB-C 3.5Å; H9-G397 PolarHBondContact CD2-N 2.97Å; H9-G397 VanDerWaalsContact CD2-N 3.34Å; H9-G397 WeakPolarHBondContact ND1-CA 3.4Å; H9-T399 PolarHBondContact CE1-OG1 3.25Å; H9-T399 VanDerWaalsContact CE1-OG1 3.26Å; H9-S400 PolarHBondContact CD2-OG 3.13Å; H9-S400 PolarHBondContact NE2-OG 2.83Å
10A90.3Very high87.5Confident15 Ų1560.2 Ų60.212%0.12431%0.308CS..THydrogen-bonded Turntrans-71.8-27.9176.100000112.9D8 K199 S395D8-A10 PolarHBondContact O-N 2.66Å; D8-A10 VanDerWaalsContact O-N 3.11Å; A10-K199 PolarHBondContact O-NZ 2.69Å; A10-S395 PolarHBondContact N-OG 2.89Å
11A88.7Confident87.9Confident21 Ų2162.4 Ų62.417%0.17432%0.317CS..THydrogen-bonded Turntrans-79.7-55.2172.700000110.8D8 H9 Y198 K199D8-A11 VanDerWaalsContact CG-CB 3.5Å; D8-A11 PolarHBondContact O-N 3.02Å; D8-A11 WeakPolarHBondContact OD1-CB 3.24Å; D8-A11 VanDerWaalsContact OD2-CB 3.24Å; D8-A11 WeakPolarHBondContact OD2-CB 3.41Å; H9-A11 VanDerWaalsContact C-N 3.35Å; A11-Y198 VanDerWaalsContact O-CE2 3.23Å; A11-Y198 WeakPolarHBondContact O-CE2 3.26Å; A11-Y198 PolarHBondContact O-OH 2.76Å; A11-K199 WeakPolarHBondContact O-CE 3.35Å
12T91.4Very high90.6Very high46 Ų4653.4 Ų53.428%0.28228%0.278SS..  trans-149.7138.2175.9-1700000108.8Y6 D8 H9 Y198Y6-T12 WeakPolarHBondContact CE1-O 3.17Å; Y6-T12 WeakPolarHBondContact OH-CG2 3.42Å; Y6-T12 PolarHBondContact OH-O 3.15Å; D8-T12 PolarHBondContact O-N 3.01Å; D8-T12 VanDerWaalsContact O-O 3.08Å; H9-T12 VanDerWaalsContact CA-O 3.29Å; H9-T12 WeakPolarHBondContact CA-O 3.22Å; H9-T12 CarbonylContact O-C 3.43Å; T12-Y198 WeakPolarHBondContact OG1-CD2 3.41Å
13T93.7Very high92.8Very high7 Ų750.7 Ų50.74%0.04326%0.259CS..PPolyproline II helixtrans-90.6161.6170.3-166.80000110.1H9 Y198 K199 G202 W398H9-T13 PolarHBondContact ND1-OG1 2.84Å; T13-Y198 WeakPolarHBondContact CG2-O 3.17Å; T13-K199 WeakPolarHBondContact CG2-O 3.43Å; T13-G202 WeakPolarHBondContact O-CA 3.49Å; T13-W398 VanDerWaalsContact OG1-CD1 3.31Å
14E93.3Very high93.8Very high52 Ų5247 Ų4724%0.24324%0.24CC..PPolyproline II helixtrans-76.8148.8172.4-62.2176.8113.300111Y6 W398 T399Y6-E14 HydrophobicContact CD1-CG 3.7Å; Y6-E14 HydrophobicContact CE1-CG 4.05Å; Y6-E14 HydrophobicContact CG-CG 4.16Å; E14-W398 PolarHBondContact O-NE1 2.97Å; E14-T399 PolarHBondContact OE2-OG1 3.11Å
15Y93.8Very high94.2Very high125 Ų12547.8 Ų47.849%0.4925%0.247SC..PPolyproline II helixtrans-88.9166.9166.456.5-101.9000110.2Q19 I20 F203Y15-Q19 VanDerWaalsContact CB-OE1 3.26Å; Y15-I20 HydrophobicContact CD2-CD1 3.81Å; Y15-I20 HydrophobicContact CD2-CG1 3.47Å; Y15-I20 VanDerWaalsContact CD2-CG1 3.47Å; Y15-I20 HydrophobicContact CE2-CD1 4.09Å; Y15-I20 HydrophobicContact CE2-CG1 3.63Å; Y15-I20 HydrophobicContact CG-CD1 4.12Å; Y15-I20 HydrophobicContact CG-CG1 4.27Å; Y15-F203 HydrophobicContact CD1-CB 3.98Å; Y15-F203 HydrophobicContact CG-CB 3.93Å
16T91.9Very high94.2Very high37 Ų3748.4 Ų48.423%0.22725%0.25CC..PPolyproline II helixtrans-101.4149.3173.464.50000111.2E18 Q19 I20 W398 T399T16-E18 PolarHBondContact O-N 2.83Å; T16-Q19 WeakPolarHBondContact O-CB 3.42Å; T16-Q19 PolarHBondContact O-N 2.94Å; T16-Q19 WeakPolarHBondContact OG1-CB 3.44Å; T16-Q19 PolarHBondContact OG1-N 2.79Å; T16-I20 PolarHBondContact O-N 2.99Å; T16-W398 HydrophobicContact CG2-CH2 3.65Å; T16-W398 HydrophobicContact CG2-CZ2 3.77Å; T16-W398 HydrophobicContact CG2-CZ3 4.38Å; T16-T399 HydrophobicContact CG2-CG2 4.17Å
17D92.1Very high94.2Very high128 Ų12848.5 Ų48.568%0.68425%0.253SS*.Hα-helixtrans-56.7-37.1173.5-68.6-26.3000111.4Q19 I20 Q21D17-Q19 VanDerWaalsContact C-N 3.32Å; D17-Q19 PolarHBondContact O-N 3.3Å; D17-I20 PolarHBondContact O-N 3.29Å; D17-Q21 WeakPolarHBondContact O-CG 2.89Å; D17-Q21 PolarHBondContact O-N 2.89Å
18E92.9Very high94Very high114 Ų11452 Ų5253%0.53328%0.275SS..Hα-helixtrans-58.8-42.6176.2-174.1176.2-173.500111.9T16 I20 Q21 A22 K270T16-E18 PolarHBondContact O-N 2.83Å; E18-I20 VanDerWaalsContact C-N 3.34Å; E18-I20 PolarHBondContact O-N 2.88Å; E18-Q21 PolarHBondContact O-N 2.91Å; E18-A22 VanDerWaalsContact O-CB 3.3Å; E18-A22 WeakPolarHBondContact O-CB 3.23Å; E18-A22 PolarHBondContact O-N 3.27Å; E18-K270 IonicContact OE1-NZ 2.87Å; E18-K270 PolarHBondContact OE1-NZ 3.03Å; E18-K270 IonicContact OE2-NZ 3.93Å; E18-K270 PolarHBondContact OE2-NZ 3.06Å
19Q94.4Very high93.9Very high3 Ų358 Ų581%0.01431%0.305CS..Hα-helixtrans-61.3-43.5177.2-173.1-172.316.800111.6Y15 T16 D17 F23 F201 F203 H263Y15-Q19 VanDerWaalsContact CB-OE1 3.26Å; T16-Q19 WeakPolarHBondContact O-CB 3.42Å; T16-Q19 PolarHBondContact O-N 2.94Å; T16-Q19 WeakPolarHBondContact OG1-CB 3.44Å; T16-Q19 PolarHBondContact OG1-N 2.79Å; D17-Q19 VanDerWaalsContact C-N 3.32Å; D17-Q19 PolarHBondContact O-N 3.3Å; Q19-F23 PolarHBondContact O-N 2.95Å; Q19-F201 PolarHBondContact OE1-O 3.17Å; Q19-F201 VanDerWaalsContact OE1-O 3.1Å; Q19-F203 HydrophobicContact CG-CD1 4.39Å; Q19-F203 PolarHBondContact NE2-O 3.36Å; Q19-H263 HydrophobicContact CG-CB 3.98Å
20I95.9Very high93.8Very high50 Ų5059.3 Ų59.326%0.25631%0.313SS..Hα-helixtrans-67.1-45.2179.9-59.3-55.7000110.9Y15 T16 D17 E18 A22 F23 L24 F203Y15-I20 HydrophobicContact CD2-CD1 3.81Å; Y15-I20 HydrophobicContact CD2-CG1 3.47Å; Y15-I20 VanDerWaalsContact CD2-CG1 3.47Å; Y15-I20 HydrophobicContact CE2-CD1 4.09Å; Y15-I20 HydrophobicContact CE2-CG1 3.63Å; Y15-I20 HydrophobicContact CG-CD1 4.12Å; Y15-I20 HydrophobicContact CG-CG1 4.27Å; T16-I20 PolarHBondContact O-N 2.99Å; D17-I20 PolarHBondContact O-N 3.29Å; E18-I20 VanDerWaalsContact C-N 3.34Å; E18-I20 PolarHBondContact O-N 2.88Å; I20-A22 VanDerWaalsContact C-N 3.35Å; I20-A22 PolarHBondContact O-N 2.85Å; I20-F23 PolarHBondContact O-N 3.06Å; I20-L24 WeakPolarHBondContact O-CB 3.36Å; I20-L24 PolarHBondContact O-N 2.85Å; I20-F203 HydrophobicContact CD1-CB 3.96Å; I20-F203 HydrophobicContact CD1-CD1 3.75Å; I20-F203 HydrophobicContact CD1-CD2 3.69Å; I20-F203 HydrophobicContact CD1-CE1 4.15Å; I20-F203 HydrophobicContact CD1-CE2 4.12Å; I20-F203 HydrophobicContact CD1-CG 3.51Å; I20-F203 HydrophobicContact CD1-CZ 4.34Å
21Q96.8Very high93.8Very high107 Ų10766.3 Ų66.350%0.534%0.336SS..Hα-helixtrans-63.4-41.1177.8-67.7-59.8-2500111.7D17 E18 F23 L24 N25D17-Q21 WeakPolarHBondContact O-CG 2.89Å; D17-Q21 PolarHBondContact O-N 2.89Å; E18-Q21 PolarHBondContact O-N 2.91Å; Q21-F23 PolarHBondContact O-N 3.25Å; Q21-L24 PolarHBondContact O-N 2.63Å; Q21-N25 WeakPolarHBondContact O-CB 3.32Å; Q21-N25 PolarHBondContact O-N 3.24Å; Q21-N25 PolarHBondContact O-ND2 2.78Å
22A96Very high94Very high36 Ų3666.3 Ų66.330%0.29833%0.332SS..Hα-helixtrans-62.2-42.3176.300000112E18 I20 N25 D26 H263E18-A22 VanDerWaalsContact O-CB 3.3Å; E18-A22 WeakPolarHBondContact O-CB 3.23Å; E18-A22 PolarHBondContact O-N 3.27Å; I20-A22 VanDerWaalsContact C-N 3.35Å; I20-A22 PolarHBondContact O-N 2.85Å; A22-N25 PolarHBondContact O-N 3.41Å; A22-D26 PolarHBondContact O-N 3.18Å; A22-H263 WeakPolarHBondContact CB-ND1 2.86Å; A22-H263 PolarHBondContact O-CE1 3.16Å
23F96.7Very high93.9Very high23 Ų2364.9 Ų64.910%0.10133%0.326CS..Hα-helixtrans-67.4-41.7176.3178.6-122.6000112.7Q19 I20 Q21 N25 D26 L27 F203 A260 H263Q19-F23 PolarHBondContact O-N 2.95Å; I20-F23 PolarHBondContact O-N 3.06Å; Q21-F23 PolarHBondContact O-N 3.25Å; F23-N25 VanDerWaalsContact C-N 3.32Å; F23-N25 PolarHBondContact O-N 3.28Å; F23-D26 WeakPolarHBondContact O-CB 3.26Å; F23-D26 PolarHBondContact O-N 2.94Å; F23-L27 HydrophobicContact CD1-CD1 4.2Å; F23-L27 HydrophobicContact CD2-CG 4.24Å; F23-L27 HydrophobicContact CE1-CD1 3.55Å; F23-L27 HydrophobicContact CE1-CG 4.17Å; F23-L27 HydrophobicContact CE2-CD1 4.03Å; F23-L27 HydrophobicContact CE2-CD2 3.9Å; F23-L27 HydrophobicContact CE2-CG 3.75Å; F23-L27 HydrophobicContact CZ-CD1 3.46Å; F23-L27 VanDerWaalsContact CZ-CD1 3.46Å; F23-L27 HydrophobicContact CZ-CD2 3.95Å; F23-L27 HydrophobicContact CZ-CG 3.73Å; F23-L27 PolarHBondContact O-N 2.83Å; F23-F203 HydrophobicContact CB-CE1 4.19Å; F23-F203 AromaticContact CD1-CE1 3.56Å; F23-F203 HydrophobicContact CD1-CE1 3.56Å; F23-F203 AromaticContact CD1-CZ 3.47Å; F23-F203 HydrophobicContact CD1-CZ 3.47Å; F23-F203 VanDerWaalsContact CD1-CZ 3.47Å; F23-F203 HydrophobicContact CE1-CE1 4.1Å; F23-F203 AromaticContact CE1-CZ 3.65Å; F23-F203 HydrophobicContact CE1-CZ 3.65Å; F23-F203 AromaticContact CG-CE1 3.93Å; F23-F203 HydrophobicContact CG-CE1 3.93Å; F23-F203 HydrophobicContact CG-CZ 4.29Å; F23-A260 HydrophobicContact CD1-CB 4.39Å; F23-A260 HydrophobicContact CD2-CB 3.76Å; F23-A260 HydrophobicContact CE1-CB 4.24Å; F23-A260 HydrophobicContact CE2-CB 3.59Å; F23-A260 HydrophobicContact CG-CB 4.15Å; F23-A260 HydrophobicContact CZ-CB 3.83Å; F23-H263 AromaticContact CD2-CD2 3.83Å
24L96.3Very high93.7Very high87 Ų8767.2 Ų67.246%0.45534%0.339SS..Hα-helixtrans-60.9-43.2175.4-178.563.1000111.4I20 Q21 D26 L27 T28I20-L24 WeakPolarHBondContact O-CB 3.36Å; I20-L24 PolarHBondContact O-N 2.85Å; Q21-L24 PolarHBondContact O-N 2.63Å; L24-D26 VanDerWaalsContact C-N 3.32Å; L24-D26 PolarHBondContact O-N 2.96Å; L24-L27 PolarHBondContact O-N 3.23Å; L24-T28 HydrophobicContact CD1-CG2 4.39Å; L24-T28 WeakPolarHBondContact O-CB 3.48Å; L24-T28 VanDerWaalsContact O-CG2 3.31Å; L24-T28 WeakPolarHBondContact O-CG2 3.41Å; L24-T28 PolarHBondContact O-N 2.84Å; L24-T28 PolarHBondContact O-OG1 2.85Å
25N96.6Very high93.4Very high88 Ų8865.6 Ų65.647%0.47133%0.333SS..Hα-helixtrans-61.8-40.8174.6-71.4-21.3000111.5Q21 A22 F23 T28 L29Q21-N25 WeakPolarHBondContact O-CB 3.32Å; Q21-N25 PolarHBondContact O-N 3.24Å; Q21-N25 PolarHBondContact O-ND2 2.78Å; A22-N25 PolarHBondContact O-N 3.41Å; F23-N25 VanDerWaalsContact C-N 3.32Å; F23-N25 PolarHBondContact O-N 3.28Å; N25-T28 VanDerWaalsContact CA-OG1 3.31Å; N25-T28 WeakPolarHBondContact CA-OG1 3.5Å; N25-T28 PolarHBondContact O-N 2.82Å; N25-T28 PolarHBondContact O-OG1 3.24Å; N25-L29 WeakPolarHBondContact O-CB 3.34Å; N25-L29 VanDerWaalsContact O-CG 3.26Å; N25-L29 WeakPolarHBondContact O-CG 3.35Å; N25-L29 PolarHBondContact O-N 3.07Å
26D95.5Very high92.8Very high15 Ų1564.2 Ų64.28%0.0833%0.331CS..Hα-helixtrans-63.2-45176.1-163.96.1000111.8A22 F23 L24 T28 L29 N30 H263A22-D26 PolarHBondContact O-N 3.18Å; F23-D26 WeakPolarHBondContact O-CB 3.26Å; F23-D26 PolarHBondContact O-N 2.94Å; L24-D26 VanDerWaalsContact C-N 3.32Å; L24-D26 PolarHBondContact O-N 2.96Å; D26-T28 PolarHBondContact O-N 2.9Å; D26-L29 PolarHBondContact O-N 3.36Å; D26-N30 WeakPolarHBondContact O-CA 3.48Å; D26-N30 VanDerWaalsContact O-CB 3.25Å; D26-N30 WeakPolarHBondContact O-CB 3.34Å; D26-N30 PolarHBondContact O-N 3.5Å; D26-N30 PolarHBondContact O-ND2 2.82Å; D26-N30 PolarHBondContact OD1-ND2 2.89Å; D26-H263 IonicContact OD2-CE1 2.89Å; D26-H263 IonicContact OD2-NE2 3.94Å; D26-H263 PolarHBondContact OD2-NE2 2.71Å
27L94.4Very high92.4Very high37 Ų3764.5 Ų64.519%0.19433%0.334CS..Hα-helixtrans-67.5-33.2177.8-72.1-175.7000113.7F23 L24 N30 R31 F32 Q256F23-L27 HydrophobicContact CD1-CD1 4.2Å; F23-L27 HydrophobicContact CD2-CG 4.24Å; F23-L27 HydrophobicContact CE1-CD1 3.55Å; F23-L27 HydrophobicContact CE1-CG 4.17Å; F23-L27 HydrophobicContact CE2-CD1 4.03Å; F23-L27 HydrophobicContact CE2-CD2 3.9Å; F23-L27 HydrophobicContact CE2-CG 3.75Å; F23-L27 HydrophobicContact CZ-CD1 3.46Å; F23-L27 VanDerWaalsContact CZ-CD1 3.46Å; F23-L27 HydrophobicContact CZ-CD2 3.95Å; F23-L27 HydrophobicContact CZ-CG 3.73Å; F23-L27 PolarHBondContact O-N 2.83Å; L24-L27 PolarHBondContact O-N 3.23Å; L27-N30 CarbonylContact O-C 3.58Å; L27-R31 PolarHBondContact O-NH1 3.31Å; L27-F32 HydrophobicContact CD2-CD2 3.8Å; L27-F32 HydrophobicContact CD2-CE2 3.92Å; L27-Q256 HydrophobicContact CD2-CG 4.42Å
28T93.1Very high92.2Very high75 Ų7565.7 Ų65.746%0.4634%0.34SS..Hα-helixtrans-73.4-39.4178.548.90000111.5L24 N25 D26L24-T28 HydrophobicContact CD1-CG2 4.39Å; L24-T28 WeakPolarHBondContact O-CB 3.48Å; L24-T28 VanDerWaalsContact O-CG2 3.31Å; L24-T28 WeakPolarHBondContact O-CG2 3.41Å; L24-T28 PolarHBondContact O-N 2.84Å; L24-T28 PolarHBondContact O-OG1 2.85Å; N25-T28 VanDerWaalsContact CA-OG1 3.31Å; N25-T28 WeakPolarHBondContact CA-OG1 3.5Å; N25-T28 PolarHBondContact O-N 2.82Å; N25-T28 PolarHBondContact O-OG1 3.24Å; D26-T28 PolarHBondContact O-N 2.9Å
29L94.3Very high92.1Very high140 Ų14064.4 Ų64.473%0.73334%0.336SS*.Hα-helixtrans-76.3-33.7176.1-66.3173.1000112.7N25 D26N25-L29 WeakPolarHBondContact O-CB 3.34Å; N25-L29 VanDerWaalsContact O-CG 3.26Å; N25-L29 WeakPolarHBondContact O-CG 3.35Å; N25-L29 PolarHBondContact O-N 3.07Å; D26-L29 PolarHBondContact O-N 3.36Å
30N92.2Very high92Very high40 Ų4068.3 Ų68.321%0.21436%0.364CS..  trans-120.3113.3-175.3-59.7-65.2000111.6D26 L27 F32 L44D26-N30 WeakPolarHBondContact O-CA 3.48Å; D26-N30 VanDerWaalsContact O-CB 3.25Å; D26-N30 WeakPolarHBondContact O-CB 3.34Å; D26-N30 PolarHBondContact O-N 3.5Å; D26-N30 PolarHBondContact O-ND2 2.82Å; D26-N30 PolarHBondContact OD1-ND2 2.89Å; L27-N30 CarbonylContact O-C 3.58Å; N30-F32 HydrophobicContact CB-CD2 4.49Å; N30-F32 HydrophobicContact CB-CE1 3.89Å; N30-F32 HydrophobicContact CB-CE2 3.75Å; N30-F32 HydrophobicContact CB-CZ 3.4Å; N30-F32 VanDerWaalsContact CB-CZ 3.4Å; N30-F32 WeakPolarHBondContact O-CD2 3.29Å; N30-F32 WeakPolarHBondContact O-CE2 3.28Å; N30-F32 PolarHBondContact O-N 3.2Å; N30-L44 HydrophobicContact CB-CD2 4.44Å
31R89.9Confident91.8Very high161 Ų16171.9 Ų71.961%0.60837%0.374SS*.  trans-85.6106.4168.3-62.7-57.9-171.8-140.84.3110.1L27 R41L27-R31 PolarHBondContact O-NH1 3.31Å; R31-R41 WeakPolarHBondContact O-CD 3.31Å
32F92.3Very high91.6Very high22 Ų2266.8 Ų66.810%0.09635%0.351CS..  trans-82.5139178.3-59.4-69.9000111.6L27 N30 L44 T45 R48 Y255 I259L27-F32 HydrophobicContact CD2-CD2 3.8Å; L27-F32 HydrophobicContact CD2-CE2 3.92Å; N30-F32 HydrophobicContact CB-CD2 4.49Å; N30-F32 HydrophobicContact CB-CE1 3.89Å; N30-F32 HydrophobicContact CB-CE2 3.75Å; N30-F32 HydrophobicContact CB-CZ 3.4Å; N30-F32 VanDerWaalsContact CB-CZ 3.4Å; N30-F32 WeakPolarHBondContact O-CD2 3.29Å; N30-F32 WeakPolarHBondContact O-CE2 3.28Å; N30-F32 PolarHBondContact O-N 3.2Å; F32-L44 HydrophobicContact CD1-CD2 4.24Å; F32-L44 HydrophobicContact CD1-CG 4.27Å; F32-L44 HydrophobicContact CE1-CD2 4.03Å; F32-L44 HydrophobicContact CE1-CG 4.07Å; F32-T45 HydrophobicContact CB-CG2 4.47Å; F32-T45 WeakPolarHBondContact CB-OG1 3.38Å; F32-R48 HydrophobicContact CE1-CG 3.97Å; F32-Y255 HydrophobicContact CB-CD2 4.07Å; F32-Y255 HydrophobicContact CB-CE2 3.84Å; F32-I259 HydrophobicContact CB-CD1 4.26Å; F32-I259 HydrophobicContact CD1-CD1 3.49Å; F32-I259 VanDerWaalsContact CD1-CD1 3.49Å; F32-I259 HydrophobicContact CD2-CD1 3.72Å; F32-I259 HydrophobicContact CE1-CD1 3.65Å; F32-I259 HydrophobicContact CE2-CD1 3.86Å; F32-I259 HydrophobicContact CE2-CG2 4.03Å; F32-I259 HydrophobicContact CG-CD1 3.53Å; F32-I259 HydrophobicContact CZ-CD1 3.83Å; F32-I259 HydrophobicContact CZ-CG2 3.96Å
33G90.5Very high91.4Very high15 Ų1569.7 Ų69.716%0.15536%0.361CS..  trans-111.4176.6176.900000111.5R41 T45G33-R41 PolarHBondContact N-O 3.3Å; G33-T45 PolarHBondContact N-OG1 3.47Å; G33-T45 VanDerWaalsContact N-OG1 3.09Å; G33-T45 VanDerWaalsContact O-CB 3.27Å; G33-T45 WeakPolarHBondContact O-CB 2.96Å; G33-T45 WeakPolarHBondContact O-CG2 3.48Å; G33-T45 PolarHBondContact O-OG1 3.35Å
34N89.6Confident91.2Very high56 Ų5670.9 Ų70.930%0.29937%0.368SS..  trans-59.8127.1176-174.2-44.5000110.1H36 S37 G42 T252N34-H36 PolarHBondContact O-N 3.18Å; N34-H36 VanDerWaalsContact O-N 3.09Å; N34-H36 WeakPolarHBondContact OD1-CB 3.48Å; N34-H36 PolarHBondContact OD1-CD2 2.78Å; N34-H36 VanDerWaalsContact OD1-CD2 3.3Å; N34-H36 PolarHBondContact OD1-N 2.93Å; N34-S37 VanDerWaalsContact O-CB 3.29Å; N34-S37 WeakPolarHBondContact O-CB 3.48Å; N34-S37 PolarHBondContact O-N 3.11Å; N34-S37 PolarHBondContact O-OG 2.03Å; N34-G42 WeakPolarHBondContact O-CA 3.29Å; N34-T252 PolarHBondContact ND2-OG1 2.88Å
35P85.9Confident91.1Very high19 Ų1966.7 Ų66.712%0.12335%0.346CS..THydrogen-bonded Turntrans-62.3-17.5-176.424.8-35.3000114.3S37 T45 T252 Y255P35-S37 VanDerWaalsContact C-N 3.31Å; P35-T45 HydrophobicContact CB-CG2 4.11Å; P35-T45 HydrophobicContact CG-CG2 4.49Å; P35-T252 HydrophobicContact CG-CG2 4.44Å; P35-Y255 HydrophobicContact CG-CD1 4.3Å
36H81.7Confident90.9Very high96 Ų9664.6 Ų64.644%0.44434%0.338SS..THydrogen-bonded Turntrans-84-5.2174.7-56.7-62.9000113.5N34N34-H36 PolarHBondContact O-N 3.18Å; N34-H36 VanDerWaalsContact O-N 3.09Å; N34-H36 WeakPolarHBondContact OD1-CB 3.48Å; N34-H36 PolarHBondContact OD1-CD2 2.78Å; N34-H36 VanDerWaalsContact OD1-CD2 3.3Å; N34-H36 PolarHBondContact OD1-N 2.93Å
37S84.2Confident90.7Very high42 Ų4266.4 Ų66.429%0.29435%0.352SS..  trans-83133.8177.2-60.80000111.3N34 P35 N39 G42N34-S37 VanDerWaalsContact O-CB 3.29Å; N34-S37 WeakPolarHBondContact O-CB 3.48Å; N34-S37 PolarHBondContact O-N 3.11Å; N34-S37 PolarHBondContact O-OG 2.03Å; P35-S37 VanDerWaalsContact C-N 3.31Å; S37-N39 WeakPolarHBondContact CB-ND2 3.43Å; S37-N39 PolarHBondContact O-N 2.98Å; S37-G42 CarbonylContact O-C 3.47Å; S37-G42 WeakPolarHBondContact O-CA 3.26Å
38L87.9Confident90.8Very high154 Ų15467.7 Ų67.781%0.80635%0.354SS*.  trans-78.5-1.9178-59.8178000113.9L43L38-L43 WeakPolarHBondContact O-CD1 3.28Å
39N90.6Very high90.9Very high86 Ų8664.3 Ų64.346%0.4633%0.333SS..SBendtrans-71.8163.7174.567.653.2000111.4S37 R41 G42 L43S37-N39 WeakPolarHBondContact CB-ND2 3.43Å; S37-N39 PolarHBondContact O-N 2.98Å; N39-R41 PolarHBondContact O-N 2.94Å; N39-R41 VanDerWaalsContact O-N 3.07Å; N39-R41 PolarHBondContact OD1-N 2.73Å; N39-R41 VanDerWaalsContact OD1-N 3.11Å; N39-G42 PolarHBondContact O-N 3.43Å; N39-G42 VanDerWaalsContact O-N 3.08Å; N39-G42 PolarHBondContact OD1-N 2.72Å; N39-L43 WeakPolarHBondContact O-CG 2.88Å; N39-L43 PolarHBondContact O-N 3.34Å
40S91.5Very high90.8Very high86 Ų8661.5 Ų61.560%0.60132%0.319SS*.Hα-helixtrans-54.9-31.9-175.758.10000114.3L44S40-L44 WeakPolarHBondContact O-CB 3.39Å; S40-L44 PolarHBondContact O-N 3.25Å
41R92.7Very high90.9Very high124 Ų12464.4 Ų64.447%0.46833%0.332SS..Hα-helixtrans-78.4-38.3179.7-52.7-51.1-173.9172.6-2.5112.2R31 G33 N39 T45R31-R41 WeakPolarHBondContact O-CD 3.31Å; G33-R41 PolarHBondContact N-O 3.3Å; N39-R41 PolarHBondContact O-N 2.94Å; N39-R41 VanDerWaalsContact O-N 3.07Å; N39-R41 PolarHBondContact OD1-N 2.73Å; N39-R41 VanDerWaalsContact OD1-N 3.11Å; R41-T45 WeakPolarHBondContact O-CB 3.24Å; R41-T45 PolarHBondContact O-N 3.16Å; R41-T45 PolarHBondContact O-OG1 3Å
42G91.7Very high91.3Very high0 Ų057.1 Ų57.10%031%0.305CS..Hα-helixtrans-65.3-44.6172.200000111.9N34 S37 N39 L44 T45 S46N34-G42 WeakPolarHBondContact O-CA 3.29Å; S37-G42 CarbonylContact O-C 3.47Å; S37-G42 WeakPolarHBondContact O-CA 3.26Å; N39-G42 PolarHBondContact O-N 3.43Å; N39-G42 VanDerWaalsContact O-N 3.08Å; N39-G42 PolarHBondContact OD1-N 2.72Å; G42-L44 PolarHBondContact O-N 3.46Å; G42-T45 WeakPolarHBondContact O-CB 3.35Å; G42-T45 PolarHBondContact O-N 2.98Å; G42-T45 VanDerWaalsContact O-N 3.1Å; G42-S46 PolarHBondContact O-N 2.88Å
43L91.2Very high91.5Very high97 Ų9757.6 Ų57.651%0.50831%0.306SS..Hα-helixtrans-61.8-43.6175.1-67.6176.8000112.7L38 N39 T45 S46 S47L38-L43 WeakPolarHBondContact O-CD1 3.28Å; N39-L43 WeakPolarHBondContact O-CG 2.88Å; N39-L43 PolarHBondContact O-N 3.34Å; L43-T45 VanDerWaalsContact C-N 3.26Å; L43-T45 PolarHBondContact O-N 3.21Å; L43-S46 PolarHBondContact O-N 3.4Å; L43-S47 WeakPolarHBondContact O-CB 3.38Å; L43-S47 PolarHBondContact O-N 2.81Å
44L93.7Very high91.8Very high48 Ų4860.3 Ų60.325%0.25131%0.314SS..Hα-helixtrans-56.8-44.4172.5174.962.3000110.8N30 F32 S40 G42 S47 R48N30-L44 HydrophobicContact CB-CD2 4.44Å; F32-L44 HydrophobicContact CD1-CD2 4.24Å; F32-L44 HydrophobicContact CD1-CG 4.27Å; F32-L44 HydrophobicContact CE1-CD2 4.03Å; F32-L44 HydrophobicContact CE1-CG 4.07Å; S40-L44 WeakPolarHBondContact O-CB 3.39Å; S40-L44 PolarHBondContact O-N 3.25Å; G42-L44 PolarHBondContact O-N 3.46Å; L44-S47 PolarHBondContact O-N 2.74Å; L44-R48 HydrophobicContact CD1-CG 4.36Å; L44-R48 WeakPolarHBondContact O-CG 3.46Å; L44-R48 PolarHBondContact O-N 3.02Å
45T94.6Very high92.1Very high0 Ų059.9 Ų59.90%031%0.31CS..Hα-helixtrans-65.8-47.4-179.1-53.40000111.3F32 G33 P35 R41 G42 L43 S47 R48 V49 Y255 I259F32-T45 HydrophobicContact CB-CG2 4.47Å; F32-T45 WeakPolarHBondContact CB-OG1 3.38Å; G33-T45 PolarHBondContact N-OG1 3.47Å; G33-T45 VanDerWaalsContact N-OG1 3.09Å; G33-T45 VanDerWaalsContact O-CB 3.27Å; G33-T45 WeakPolarHBondContact O-CB 2.96Å; G33-T45 WeakPolarHBondContact O-CG2 3.48Å; G33-T45 PolarHBondContact O-OG1 3.35Å; P35-T45 HydrophobicContact CB-CG2 4.11Å; P35-T45 HydrophobicContact CG-CG2 4.49Å; R41-T45 WeakPolarHBondContact O-CB 3.24Å; R41-T45 PolarHBondContact O-N 3.16Å; R41-T45 PolarHBondContact O-OG1 3Å; G42-T45 WeakPolarHBondContact O-CB 3.35Å; G42-T45 PolarHBondContact O-N 2.98Å; G42-T45 VanDerWaalsContact O-N 3.1Å; L43-T45 VanDerWaalsContact C-N 3.26Å; L43-T45 PolarHBondContact O-N 3.21Å; T45-S47 VanDerWaalsContact C-N 3.31Å; T45-S47 PolarHBondContact O-N 3.19Å; T45-R48 PolarHBondContact O-N 2.97Å; T45-R48 VanDerWaalsContact O-N 3.16Å; T45-V49 WeakPolarHBondContact O-CG2 3.37Å; T45-V49 PolarHBondContact O-N 2.7Å; T45-Y255 HydrophobicContact CG2-CD1 4.36Å; T45-Y255 HydrophobicContact CG2-CD2 3.47Å; T45-Y255 VanDerWaalsContact CG2-CD2 3.47Å; T45-Y255 HydrophobicContact CG2-CE2 4.26Å; T45-Y255 HydrophobicContact CG2-CG 3.54Å; T45-I259 HydrophobicContact CG2-CD1 4.43Å
46S90.9Very high92.7Very high44 Ų4459 Ų5931%0.30830%0.304SS..Hα-helixtrans-56.7-46.2174.7-1680000111.2G42 L43 R48 V49 D50G42-S46 PolarHBondContact O-N 2.88Å; L43-S46 PolarHBondContact O-N 3.4Å; S46-R48 VanDerWaalsContact C-N 3.33Å; S46-R48 PolarHBondContact O-N 2.77Å; S46-V49 PolarHBondContact O-N 2.68Å; S46-D50 PolarHBondContact O-N 2.84Å
47S92.9Very high93.4Very high53 Ų5354.7 Ų54.737%0.37128%0.284SS..Hα-helixtrans-60.4-40.1177.5177.20000112.7L43 L44 T45 D50 Q51L43-S47 WeakPolarHBondContact O-CB 3.38Å; L43-S47 PolarHBondContact O-N 2.81Å; L44-S47 PolarHBondContact O-N 2.74Å; T45-S47 VanDerWaalsContact C-N 3.31Å; T45-S47 PolarHBondContact O-N 3.19Å; S47-D50 PolarHBondContact O-N 3.41Å; S47-Q51 WeakPolarHBondContact O-CB 3.34Å; S47-Q51 VanDerWaalsContact O-CG 3.24Å; S47-Q51 WeakPolarHBondContact O-CG 3.32Å; S47-Q51 PolarHBondContact O-N 2.81Å; S47-Q51 PolarHBondContact OG-NE2 2.91Å
48R95.4Very high94Very high63 Ų6357.5 Ų57.524%0.23830%0.296CS..Hα-helixtrans-67.6-39.7176.9-69.6-62.9-167.2171.18.5112.2F32 L44 T45 S46 D50 Q51 M52 I259F32-R48 HydrophobicContact CE1-CG 3.97Å; L44-R48 HydrophobicContact CD1-CG 4.36Å; L44-R48 WeakPolarHBondContact O-CG 3.46Å; L44-R48 PolarHBondContact O-N 3.02Å; T45-R48 PolarHBondContact O-N 2.97Å; T45-R48 VanDerWaalsContact O-N 3.16Å; S46-R48 VanDerWaalsContact C-N 3.33Å; S46-R48 PolarHBondContact O-N 2.77Å; R48-D50 VanDerWaalsContact C-N 3.34Å; R48-Q51 PolarHBondContact O-N 2.85Å; R48-M52 WeakPolarHBondContact O-CB 3.44Å; R48-M52 PolarHBondContact O-N 2.83Å; R48-I259 HydrophobicContact CB-CD1 4.28Å; R48-I259 HydrophobicContact CB-CG1 3.84Å; R48-I259 HydrophobicContact CG-CG1 4.45Å
49V94.5Very high94.4Very high4 Ų451.4 Ų51.42%0.02426%0.263CS..Hα-helixtrans-61.4-44.6175.6173.20000110.2T45 S46 M52 R53 F71 L253 V258T45-V49 WeakPolarHBondContact O-CG2 3.37Å; T45-V49 PolarHBondContact O-N 2.7Å; S46-V49 PolarHBondContact O-N 2.68Å; V49-M52 WeakPolarHBondContact O-CB 3.36Å; V49-M52 PolarHBondContact O-N 2.7Å; V49-R53 PolarHBondContact O-N 3.1Å; V49-F71 HydrophobicContact CG1-CD2 4.46Å; V49-F71 HydrophobicContact CG1-CE2 3.81Å; V49-L253 HydrophobicContact CG1-CD1 3.97Å; V49-V258 HydrophobicContact CB-CG1 4.38Å; V49-V258 HydrophobicContact CG1-CG1 4.31Å; V49-V258 HydrophobicContact CG2-CB 4.39Å; V49-V258 HydrophobicContact CG2-CG1 4.09Å
50D92.5Very high94.6Very high81 Ų8147.4 Ų47.443%0.43324%0.242SC..Hα-helixtrans-68.4-40.6179.1-68.2-29.2000112.8S46 S47 R48 M52 R53 Q54S46-D50 PolarHBondContact O-N 2.84Å; S47-D50 PolarHBondContact O-N 3.41Å; R48-D50 VanDerWaalsContact C-N 3.34Å; D50-M52 PolarHBondContact O-N 2.86Å; D50-R53 PolarHBondContact O-N 3.21Å; D50-R53 IonicContact OD1-NH1 2.98Å; D50-R53 PolarHBondContact OD1-NH1 3.33Å; D50-Q54 PolarHBondContact O-N 3.05Å
51Q95.6Very high94.8Very high102 Ų10245.3 Ų45.348%0.47723%0.233SC..Hα-helixtrans-57.4-40.6170.4-75.3170.321.900111.3S47 R48 Q54 K55S47-Q51 WeakPolarHBondContact O-CB 3.34Å; S47-Q51 VanDerWaalsContact O-CG 3.24Å; S47-Q51 WeakPolarHBondContact O-CG 3.32Å; S47-Q51 PolarHBondContact O-N 2.81Å; S47-Q51 PolarHBondContact OG-NE2 2.91Å; R48-Q51 PolarHBondContact O-N 2.85Å; Q51-Q54 PolarHBondContact O-N 2.9Å; Q51-K55 PolarHBondContact O-N 2.94Å
52M97.4Very high95Very high8 Ų839.7 Ų39.74%0.03921%0.213CC..Hα-helixtrans-67-41179.4-163.872.2-86.300112R48 V49 D50 Q54 K55 I56 F71 V258 L261 K262 F265R48-M52 WeakPolarHBondContact O-CB 3.44Å; R48-M52 PolarHBondContact O-N 2.83Å; V49-M52 WeakPolarHBondContact O-CB 3.36Å; V49-M52 PolarHBondContact O-N 2.7Å; D50-M52 PolarHBondContact O-N 2.86Å; M52-Q54 VanDerWaalsContact C-N 3.31Å; M52-Q54 PolarHBondContact O-N 3.01Å; M52-K55 HydrophobicContact CE-CB 3.42Å; M52-K55 VanDerWaalsContact CE-CB 3.42Å; M52-K55 HydrophobicContact CE-CD 3.72Å; M52-K55 HydrophobicContact CE-CG 3.49Å; M52-K55 VanDerWaalsContact CE-CG 3.49Å; M52-K55 PolarHBondContact O-N 2.91Å; M52-I56 HydrophobicContact CG-CD1 4.22Å; M52-I56 WeakPolarHBondContact O-CG1 3.48Å; M52-I56 PolarHBondContact O-N 2.9Å; M52-F71 HydrophobicContact CB-CZ 4.46Å; M52-F71 HydrophobicContact CG-CZ 4.43Å; M52-V258 HydrophobicContact CB-CG1 3.78Å; M52-V258 HydrophobicContact CG-CG1 3.85Å; M52-V258 WeakPolarHBondContact CG-O 3.43Å; M52-L261 HydrophobicContact CG-CB 4.09Å; M52-L261 HydrophobicContact CG-CD1 4.09Å; M52-L261 HydrophobicContact SD-CB 3.5Å; M52-L261 VanDerWaalsContact SD-CB 3.5Å; M52-K262 HydrophobicContact SD-CB 4.11Å; M52-K262 PolarHBondContact SD-N 3.38Å; M52-F265 HydrophobicContact CE-CD2 3.67Å; M52-F265 HydrophobicContact CE-CE2 3.96Å; M52-F265 HydrophobicContact SD-CD2 4.5Å
53R95.9Very high95.2Very high31 Ų3142.5 Ų42.512%0.11723%0.23CC..Hα-helixtrans-57-46.1172.3-69.5-173.7177.9107.13.6111.3V49 D50 K55 I56 L57 V69 F71 E249V49-R53 PolarHBondContact O-N 3.1Å; D50-R53 PolarHBondContact O-N 3.21Å; D50-R53 IonicContact OD1-NH1 2.98Å; D50-R53 PolarHBondContact OD1-NH1 3.33Å; R53-K55 VanDerWaalsContact C-N 3.35Å; R53-K55 PolarHBondContact O-N 2.84Å; R53-I56 PolarHBondContact O-N 2.86Å; R53-L57 VanDerWaalsContact O-CG 3.3Å; R53-L57 WeakPolarHBondContact O-CG 3.48Å; R53-L57 PolarHBondContact O-N 2.68Å; R53-V69 HydrophobicContact CB-CB 4.43Å; R53-V69 HydrophobicContact CG-CB 4.18Å; R53-V69 HydrophobicContact CG-CG1 4.49Å; R53-V69 PolarHBondContact NE-O 3.22Å; R53-F71 HydrophobicContact CG-CE2 3.64Å; R53-F71 HydrophobicContact CG-CZ 3.84Å; R53-E249 IonicContact CZ-OE1 2.68Å; R53-E249 IonicContact CZ-OE2 2.68Å; R53-E249 IonicContact NE-OE1 3.83Å; R53-E249 IonicContact NH2-OE1 3.66Å; R53-E249 PolarHBondContact NH2-OE1 3.32Å; R53-E249 IonicContact NH2-OE2 3.54Å; R53-E249 PolarHBondContact NH2-OE2 3.4Å
54Q96.7Very high95.3Very high73 Ų7340.7 Ų40.734%0.34123%0.226SC..Hα-helixtrans-64.1-40.8179.1-169.55848.600112.1D50 Q51 M52 L57 N58D50-Q54 PolarHBondContact O-N 3.05Å; Q51-Q54 PolarHBondContact O-N 2.9Å; M52-Q54 VanDerWaalsContact C-N 3.31Å; M52-Q54 PolarHBondContact O-N 3.01Å; Q54-L57 PolarHBondContact O-N 2.82Å; Q54-N58 PolarHBondContact NE2-OD1 3.04Å; Q54-N58 WeakPolarHBondContact O-CB 3.36Å; Q54-N58 PolarHBondContact O-N 3.35Å; Q54-N58 PolarHBondContact O-OD1 2.81Å
55K97.3Very high95.3Very high47 Ų4745.4 Ų45.420%0.20425%0.246CC..Hα-helixtrans-66.4-36176.8178.4156.1-176.3146.10112.1Q51 M52 R53 H59 F265 D266 E269Q51-K55 PolarHBondContact O-N 2.94Å; M52-K55 HydrophobicContact CE-CB 3.42Å; M52-K55 VanDerWaalsContact CE-CB 3.42Å; M52-K55 HydrophobicContact CE-CD 3.72Å; M52-K55 HydrophobicContact CE-CG 3.49Å; M52-K55 VanDerWaalsContact CE-CG 3.49Å; M52-K55 PolarHBondContact O-N 2.91Å; R53-K55 VanDerWaalsContact C-N 3.35Å; R53-K55 PolarHBondContact O-N 2.84Å; K55-H59 VanDerWaalsContact O-CB 3.32Å; K55-H59 WeakPolarHBondContact O-CB 3.08Å; K55-H59 PolarHBondContact O-N 3.26Å; K55-F265 HydrophobicContact CD-CB 4.36Å; K55-D266 IonicContact NZ-OD1 3.37Å; K55-D266 PolarHBondContact NZ-OD1 3.24Å; K55-E269 WeakPolarHBondContact CE-OE1 3.38Å; K55-E269 VanDerWaalsContact NZ-CD 3.29Å; K55-E269 IonicContact NZ-OE1 2.63Å; K55-E269 PolarHBondContact NZ-OE1 2.89Å; K55-E269 IonicContact NZ-OE2 3.57Å; K55-E269 PolarHBondContact NZ-OE2 3.34Å
56I97.7Very high95.3Very high0 Ų048.2 Ų48.20%026%0.259CS..Hα-helixtrans-62.2-48.1171-69.7160.1000110.9M52 R53 N58 H59 F60 V69 F71 F197 L211 L261 F265M52-I56 HydrophobicContact CG-CD1 4.22Å; M52-I56 WeakPolarHBondContact O-CG1 3.48Å; M52-I56 PolarHBondContact O-N 2.9Å; R53-I56 PolarHBondContact O-N 2.86Å; I56-N58 PolarHBondContact O-N 3.43Å; I56-H59 WeakPolarHBondContact O-CB 3.22Å; I56-H59 PolarHBondContact O-N 3Å; I56-F60 HydrophobicContact CG2-CD2 3.98Å; I56-F60 HydrophobicContact CG2-CE2 4.03Å; I56-F60 VanDerWaalsContact O-CD2 3.25Å; I56-F60 WeakPolarHBondContact O-CD2 3.5Å; I56-F60 PolarHBondContact O-N 2.9Å; I56-F60 VanDerWaalsContact O-N 3.13Å; I56-V69 HydrophobicContact CD1-CG1 4.09Å; I56-V69 HydrophobicContact CG2-CG1 4.18Å; I56-V69 HydrophobicContact CG2-CG2 4.07Å; I56-F71 HydrophobicContact CD1-CE1 3.59Å; I56-F71 HydrophobicContact CD1-CZ 3.98Å; I56-F197 HydrophobicContact CD1-CE1 4.25Å; I56-F197 HydrophobicContact CD1-CE2 4.39Å; I56-F197 HydrophobicContact CD1-CZ 3.6Å; I56-F197 HydrophobicContact CG1-CE1 4.15Å; I56-F197 HydrophobicContact CG1-CZ 3.99Å; I56-L211 HydrophobicContact CG2-CD2 4.47Å; I56-L261 HydrophobicContact CD1-CD1 4.36Å; I56-F265 HydrophobicContact CG1-CE2 3.92Å; I56-F265 HydrophobicContact CG1-CZ 3.99Å
57L97Very high95.5Very high5 Ų546.1 Ų46.13%0.02625%0.245CC..Hα-helixtrans-60.5-46178.4-67.9163.5000111.4R53 Q54 H59 F60 G61 T62 V69R53-L57 VanDerWaalsContact O-CG 3.3Å; R53-L57 WeakPolarHBondContact O-CG 3.48Å; R53-L57 PolarHBondContact O-N 2.68Å; Q54-L57 PolarHBondContact O-N 2.82Å; L57-H59 VanDerWaalsContact C-N 3.32Å; L57-H59 PolarHBondContact O-N 3.31Å; L57-F60 CarbonylContact O-C 3.46Å; L57-F60 PolarHBondContact O-N 2.78Å; L57-G61 PolarHBondContact O-N 3.49Å; L57-G61 VanDerWaalsContact O-N 3.16Å; L57-T62 CarbonylContact C-O 3.48Å; L57-T62 HydrophobicContact CB-CG2 4.09Å; L57-T62 HydrophobicContact CD2-CG2 3.57Å; L57-T62 HydrophobicContact CG-CG2 4.46Å; L57-T62 PolarHBondContact O-N 2.69Å; L57-V69 HydrophobicContact CD1-CG2 4.29Å; L57-V69 HydrophobicContact CD2-CG2 3.66Å; L57-V69 HydrophobicContact CG-CG2 3.7Å
58N95.8Very high95.6Very high101 Ų10143.7 Ų43.754%0.5423%0.228SC..Hα-helixtrans-60.7-41.5176.3-68.8-5.7000111.7Q54 I56 F60 G61Q54-N58 PolarHBondContact NE2-OD1 3.04Å; Q54-N58 WeakPolarHBondContact O-CB 3.36Å; Q54-N58 PolarHBondContact O-N 3.35Å; Q54-N58 PolarHBondContact O-OD1 2.81Å; I56-N58 PolarHBondContact O-N 3.43Å; N58-F60 VanDerWaalsContact C-N 3.29Å; N58-F60 PolarHBondContact O-N 2.63Å; N58-G61 PolarHBondContact O-N 2.99Å
59H96.1Very high95.6Very high27 Ų2740.9 Ų40.913%0.12522%0.218CC..Hα-helixtrans-59.7-40178-178.484000112.3K55 I56 L57 G61 Q182 M200 F265K55-H59 VanDerWaalsContact O-CB 3.32Å; K55-H59 WeakPolarHBondContact O-CB 3.08Å; K55-H59 PolarHBondContact O-N 3.26Å; I56-H59 WeakPolarHBondContact O-CB 3.22Å; I56-H59 PolarHBondContact O-N 3Å; L57-H59 VanDerWaalsContact C-N 3.32Å; L57-H59 PolarHBondContact O-N 3.31Å; H59-G61 VanDerWaalsContact C-N 3.26Å; H59-G61 PolarHBondContact O-N 3.49Å; H59-Q182 PolarHBondContact O-NE2 3.41Å; H59-M200 VanDerWaalsContact NE2-CE 3.29Å; H59-M200 WeakPolarHBondContact NE2-CE 3.31Å; H59-F265 HydrophobicContact CB-CD1 4.43Å; H59-F265 HydrophobicContact CB-CE1 3.86Å; H59-F265 AromaticContact CD2-CE1 3.85Å; H59-F265 AromaticContact CE1-CE1 3.96Å; H59-F265 AromaticContact CG-CE1 3.48Å; H59-F265 VanDerWaalsContact CG-CE1 3.48Å; H59-F265 AromaticContact ND1-CD1 3.75Å; H59-F265 AromaticContact ND1-CE1 3.57Å
60F95.8Very high95.7Very high2 Ų240.7 Ų40.71%0.00922%0.217CC..THydrogen-bonded Turntrans-89.720.5174.6-65.1-67.9000113.1I56 L57 N58 T62 A178 F183 S184 L185 I195 L211I56-F60 HydrophobicContact CG2-CD2 3.98Å; I56-F60 HydrophobicContact CG2-CE2 4.03Å; I56-F60 VanDerWaalsContact O-CD2 3.25Å; I56-F60 WeakPolarHBondContact O-CD2 3.5Å; I56-F60 PolarHBondContact O-N 2.9Å; I56-F60 VanDerWaalsContact O-N 3.13Å; L57-F60 CarbonylContact O-C 3.46Å; L57-F60 PolarHBondContact O-N 2.78Å; N58-F60 VanDerWaalsContact C-N 3.29Å; N58-F60 PolarHBondContact O-N 2.63Å; F60-T62 VanDerWaalsContact C-N 3.29Å; F60-T62 PolarHBondContact O-N 3.35Å; F60-A178 HydrophobicContact CE1-CB 4.22Å; F60-A178 HydrophobicContact CZ-CB 4.31Å; F60-F183 HydrophobicContact CD1-CD2 4.23Å; F60-F183 HydrophobicContact CD1-CE1 4.12Å; F60-F183 AromaticContact CD1-CE2 3.57Å; F60-F183 HydrophobicContact CD1-CE2 3.57Å; F60-F183 AromaticContact CD1-CZ 3.51Å; F60-F183 HydrophobicContact CD1-CZ 3.51Å; F60-F183 AromaticContact CE1-CE1 3.83Å; F60-F183 HydrophobicContact CE1-CE1 3.83Å; F60-F183 AromaticContact CE1-CE2 3.96Å; F60-F183 HydrophobicContact CE1-CE2 3.96Å; F60-F183 AromaticContact CE1-CZ 3.38Å; F60-F183 HydrophobicContact CE1-CZ 3.38Å; F60-S184 CarbonylContact O-C 3.5Å; F60-S184 VanDerWaalsContact O-CA 3.31Å; F60-S184 WeakPolarHBondContact O-CA 3.36Å; F60-L185 HydrophobicContact CB-CD1 3.86Å; F60-L185 HydrophobicContact CB-CG 4.16Å; F60-L185 HydrophobicContact CG-CD1 4.39Å; F60-L185 PolarHBondContact O-N 2.73Å; F60-I195 HydrophobicContact CE2-CD1 3.57Å; F60-I195 HydrophobicContact CZ-CD1 3.81Å; F60-I195 HydrophobicContact CZ-CG2 4.07Å; F60-L211 HydrophobicContact CB-CD2 4.47Å; F60-L211 HydrophobicContact CD2-CD2 3.87Å; F60-L211 HydrophobicContact CE2-CD1 4.49Å; F60-L211 HydrophobicContact CG-CD2 4.37Å
61G95.6Very high95.8Very high41 Ų4137.4 Ų37.442%0.42320%0.199SC..THydrogen-bonded Turntrans56.837.8173.300000114.2L57 N58 H59L57-G61 PolarHBondContact O-N 3.49Å; L57-G61 VanDerWaalsContact O-N 3.16Å; N58-G61 PolarHBondContact O-N 2.99Å; H59-G61 VanDerWaalsContact C-N 3.26Å; H59-G61 PolarHBondContact O-N 3.49Å
62T96.3Very high95.8Very high7 Ų733.3 Ų33.34%0.04318%0.181CC..  trans-137179.6-177.6-157.80000112.3L57 F60 Y67 L185L57-T62 CarbonylContact C-O 3.48Å; L57-T62 HydrophobicContact CB-CG2 4.09Å; L57-T62 HydrophobicContact CD2-CG2 3.57Å; L57-T62 HydrophobicContact CG-CG2 4.46Å; L57-T62 PolarHBondContact O-N 2.69Å; F60-T62 VanDerWaalsContact C-N 3.29Å; F60-T62 PolarHBondContact O-N 3.35Å; T62-Y67 HydrophobicContact CG2-CD2 4.11Å; T62-Y67 HydrophobicContact CG2-CG 4.39Å; T62-Y67 WeakPolarHBondContact OG1-CD2 3.06Å; T62-L185 WeakPolarHBondContact CB-O 3.38Å; T62-L185 HydrophobicContact CG2-CB 4.25Å; T62-L185 PolarHBondContact OG1-O 3.41Å
63T95.8Very high95.7Very high58 Ų5835.7 Ų35.736%0.35620%0.198SC..  trans-127.9164.7-177.171.10000111.6E65 H66 Y67T63-E65 PolarHBondContact O-N 2.95Å; T63-E65 WeakPolarHBondContact OG1-CB 3.39Å; T63-E65 PolarHBondContact OG1-N 3.22Å; T63-H66 PolarHBondContact O-N 2.86Å; T63-H66 VanDerWaalsContact O-N 3.1Å; T63-Y67 PolarHBondContact O-N 3.25Å
64S93.2Very high95.7Very high60 Ų6036.5 Ų36.542%0.4221%0.205SC..THydrogen-bonded Turntrans-68.1-11.7175.558.10000112.8R214S64-R214 VanDerWaalsContact O-CZ 3.22Å; S64-R214 PolarHBondContact O-NE 3.08Å; S64-R214 PolarHBondContact O-NH2 3.37Å
65E93.5Very high95.6Very high146 Ų14633.2 Ų33.268%0.68219%0.19SC*.THydrogen-bonded Turntrans-74.6-36.5170.8-172.6-173.7163.900111.4T63 R214T63-E65 PolarHBondContact O-N 2.95Å; T63-E65 WeakPolarHBondContact OG1-CB 3.39Å; T63-E65 PolarHBondContact OG1-N 3.22Å; E65-R214 VanDerWaalsContact O-CD 3.27Å; E65-R214 WeakPolarHBondContact O-CD 3.45Å
66H94.3Very high95.5Very high59 Ų5933.2 Ų33.227%0.27320%0.196SC..THydrogen-bonded Turntrans-93.8-43.7-176-64.5-12.5000112.6T63 R214T63-H66 PolarHBondContact O-N 2.86Å; T63-H66 VanDerWaalsContact O-N 3.1Å; H66-R214 PolarHBondContact O-N 3.37Å
67Y96.1Very high95.3Very high0 Ų034.4 Ų34.40%021%0.205CC..EExtended strand (participates in β ladder)trans-122.1144.8-178.8-76.5-101.1000112.5T62 T63 L185 G186 G189 P190 V193 L211 V212 L213T62-Y67 HydrophobicContact CG2-CD2 4.11Å; T62-Y67 HydrophobicContact CG2-CG 4.39Å; T62-Y67 WeakPolarHBondContact OG1-CD2 3.06Å; T63-Y67 PolarHBondContact O-N 3.25Å; Y67-L185 HydrophobicContact CD2-CB 4.25Å; Y67-L185 HydrophobicContact CE1-CD1 4.32Å; Y67-L185 HydrophobicContact CE2-CB 3.75Å; Y67-G186 WeakPolarHBondContact CE2-O 3.48Å; Y67-G189 WeakPolarHBondContact OH-CA 3.49Å; Y67-P190 WeakPolarHBondContact CE1-O 3.45Å; Y67-P190 PolarHBondContact OH-O 2.99Å; Y67-V193 HydrophobicContact CE1-CG2 4.48Å; Y67-L211 HydrophobicContact CD1-CB 3.89Å; Y67-V212 CarbonylContact C-O 3.6Å; Y67-V212 WeakPolarHBondContact CA-O 3.26Å; Y67-V212 VanDerWaalsContact CD1-C 3.46Å; Y67-L213 HydrophobicContact CD1-CB 4.21Å; Y67-L213 HydrophobicContact CD2-CD1 4.06Å; Y67-L213 HydrophobicContact CE1-CB 3.72Å; Y67-L213 HydrophobicContact CE1-CD1 4.24Å; Y67-L213 HydrophobicContact CE2-CD1 3.49Å; Y67-L213 VanDerWaalsContact CE2-CD1 3.49Å
68A94.9Very high95.3Very high3 Ų334.1 Ų34.13%0.02520%0.204CC..EExtended strand (participates in β ladder)trans-99.2143.6164.500000109.5L211 V212 F244 L245A68-L211 CarbonylContact O-C 3.4Å; A68-L211 VanDerWaalsContact O-CA 3.28Å; A68-L211 WeakPolarHBondContact O-CA 3.38Å; A68-V212 PolarHBondContact N-O 3.44Å; A68-V212 PolarHBondContact O-N 3.09Å; A68-F244 HydrophobicContact CB-CD1 3.77Å; A68-F244 HydrophobicContact CB-CE1 3.82Å; A68-L245 HydrophobicContact CB-CD2 3.97Å
69V96.1Very high95.3Very high3 Ų329.4 Ų29.42%0.01818%0.179CC..EExtended strand (participates in β ladder)trans-109111.9176.3-176.90000109.1R53 I56 L57 A209 L211 L245R53-V69 HydrophobicContact CB-CB 4.43Å; R53-V69 HydrophobicContact CG-CB 4.18Å; R53-V69 HydrophobicContact CG-CG1 4.49Å; R53-V69 PolarHBondContact NE-O 3.22Å; I56-V69 HydrophobicContact CD1-CG1 4.09Å; I56-V69 HydrophobicContact CG2-CG1 4.18Å; I56-V69 HydrophobicContact CG2-CG2 4.07Å; L57-V69 HydrophobicContact CD1-CG2 4.29Å; L57-V69 HydrophobicContact CD2-CG2 3.66Å; L57-V69 HydrophobicContact CG-CG2 3.7Å; V69-A209 HydrophobicContact CG1-CB 4.01Å; V69-L211 HydrophobicContact CG2-CG 4.41Å; V69-L245 WeakPolarHBondContact O-CD2 3.08Å
70V95.3Very high95.2Very high0 Ų033.7 Ų33.70%020%0.197CC..EExtended strand (participates in β ladder)trans-99.2119.3172.5173.60000108T72 A209 L210 F244 L245 F248 E249V70-T72 HydrophobicContact CG1-CG2 4.36Å; V70-A209 CarbonylContact O-C 3.6Å; V70-A209 VanDerWaalsContact O-CA 3.27Å; V70-A209 WeakPolarHBondContact O-CA 3.42Å; V70-L210 HydrophobicContact CB-CB 4.21Å; V70-L210 PolarHBondContact N-O 3.11Å; V70-L210 PolarHBondContact O-N 3.41Å; V70-F244 HydrophobicContact CG2-CE1 4.02Å; V70-L245 HydrophobicContact CG2-CD2 3.86Å; V70-F248 HydrophobicContact CB-CB 4.45Å; V70-F248 HydrophobicContact CG1-CB 3.56Å; V70-F248 HydrophobicContact CG2-CB 4.01Å; V70-F248 HydrophobicContact CG2-CD2 4.44Å; V70-E249 HydrophobicContact CG1-CG 3.95Å
71F95.8Very high95.1Very high12 Ų1234.7 Ų34.75%0.05320%0.202CC..EExtended strand (participates in β ladder)trans-72.5135.4174.5-67.9-71.2000111.1V49 M52 R53 I56 I207 E249 L253 V258 L261V49-F71 HydrophobicContact CG1-CD2 4.46Å; V49-F71 HydrophobicContact CG1-CE2 3.81Å; M52-F71 HydrophobicContact CB-CZ 4.46Å; M52-F71 HydrophobicContact CG-CZ 4.43Å; R53-F71 HydrophobicContact CG-CE2 3.64Å; R53-F71 HydrophobicContact CG-CZ 3.84Å; I56-F71 HydrophobicContact CD1-CE1 3.59Å; I56-F71 HydrophobicContact CD1-CZ 3.98Å; F71-I207 HydrophobicContact CD1-CD1 4.06Å; F71-I207 HydrophobicContact CD1-CG1 4.4Å; F71-E249 WeakPolarHBondContact CD2-OE1 3.42Å; F71-E249 PolarHBondContact N-OE1 2.84Å; F71-L253 HydrophobicContact CB-CD2 3.99Å; F71-L253 HydrophobicContact CD2-CD1 4.03Å; F71-V258 HydrophobicContact CD1-CG2 4.1Å; F71-V258 HydrophobicContact CD2-CG2 4.12Å; F71-V258 HydrophobicContact CE1-CG1 3.88Å; F71-V258 HydrophobicContact CE1-CG2 4.2Å; F71-V258 HydrophobicContact CE2-CG1 3.88Å; F71-V258 HydrophobicContact CE2-CG2 4.22Å; F71-V258 HydrophobicContact CG-CG2 4.06Å; F71-V258 HydrophobicContact CZ-CG1 3.48Å; F71-V258 VanDerWaalsContact CZ-CG1 3.48Å; F71-V258 HydrophobicContact CZ-CG2 4.27Å; F71-L261 HydrophobicContact CE1-CD1 4Å
72T95.3Very high95Very high16 Ų1633 Ų3310%0.09818%0.183CC..EExtended strand (participates in β ladder)trans-130174.5178.866.20000109.6V70 N74 A78 I81 I207 G208 A209 L210V70-T72 HydrophobicContact CG1-CG2 4.36Å; T72-N74 PolarHBondContact OG1-O 3.09Å; T72-A78 HydrophobicContact CG2-CB 3.93Å; T72-I81 HydrophobicContact CG2-CD1 3.76Å; T72-I207 CarbonylContact O-C 3.59Å; T72-I207 WeakPolarHBondContact O-CA 3.44Å; T72-G208 PolarHBondContact N-O 3.4Å; T72-G208 PolarHBondContact O-N 3.12Å; T72-A209 PolarHBondContact OG1-N 2.73Å; T72-L210 HydrophobicContact CG2-CB 4.19Å
73S94.9Very high94.9Very high59 Ų5932.7 Ų32.741%0.41318%0.182SC..SBendtrans-75.8-23.9175.558.70000113.5A77 G206 I207S73-A77 WeakPolarHBondContact OG-CB 3.32Å; S73-G206 WeakPolarHBondContact CA-O 3.27Å; S73-G206 CarbonylContact O-C 3.45Å; S73-G206 WeakPolarHBondContact O-CA 3.34Å; S73-I207 CarbonylContact O-C 3.59Å; S73-I207 WeakPolarHBondContact O-CA 3.29Å; S73-I207 PolarHBondContact O-N 3.19Å
74N95.1Very high94.7Very high48 Ų4834 Ų3426%0.25718%0.184SC..SBendtrans-176.6-177.2175.15250000110.2T72 S76 A77 A78T72-N74 PolarHBondContact OG1-O 3.09Å; N74-S76 PolarHBondContact O-N 2.56Å; N74-S76 WeakPolarHBondContact OD1-CA 3.49Å; N74-S76 VanDerWaalsContact OD1-CB 3.3Å; N74-S76 WeakPolarHBondContact OD1-CB 3.38Å; N74-S76 PolarHBondContact OD1-N 3.04Å; N74-A77 PolarHBondContact O-N 3.35Å; N74-A77 PolarHBondContact OD1-N 2.88Å; N74-A78 PolarHBondContact O-N 3.04Å; N74-A78 VanDerWaalsContact O-N 3.09Å
75C95.1Very high94.6Very high4 Ų431.3 Ų31.33%0.02717%0.165CC..Hα-helixtrans-55.2-44.4173.11790000113.1A77 A78 L79 D173 A175 T194 I195 S196C75-A77 VanDerWaalsContact C-N 3.31Å; C75-A77 PolarHBondContact O-N 2.9Å; C75-A78 WeakPolarHBondContact O-CA 3.4Å; C75-A78 WeakPolarHBondContact O-CB 3.39Å; C75-A78 PolarHBondContact O-N 2.76Å; C75-L79 WeakPolarHBondContact O-CG 3.28Å; C75-L79 PolarHBondContact O-N 3.42Å; C75-D173 PolarHBondContact SG-OD1 2.77Å; C75-A175 HydrophobicContact CB-CB 3.78Å; C75-T194 VanDerWaalsContact SG-CB 3.53Å; C75-T194 PolarHBondContact SG-OG1 3.32Å; C75-I195 PolarHBondContact N-O 3.26Å; C75-S196 VanDerWaalsContact CB-OG 3.32Å; C75-S196 WeakPolarHBondContact CB-OG 3.33Å; C75-S196 PolarHBondContact N-OG 3.44Å
76S95.1Very high94.5Very high47 Ų4726.2 Ų26.233%0.32914%0.141SC..Hα-helixtrans-61-39.3179.6-560000112.3N74 L79 K80 S123N74-S76 PolarHBondContact O-N 2.56Å; N74-S76 WeakPolarHBondContact OD1-CA 3.49Å; N74-S76 VanDerWaalsContact OD1-CB 3.3Å; N74-S76 WeakPolarHBondContact OD1-CB 3.38Å; N74-S76 PolarHBondContact OD1-N 3.04Å; S76-L79 PolarHBondContact O-N 2.76Å; S76-K80 WeakPolarHBondContact O-CB 3.21Å; S76-K80 PolarHBondContact O-N 3.29Å; S76-S123 WeakPolarHBondContact CB-OG 3.37Å; S76-S123 PolarHBondContact OG-OG 2.81Å
77A95Very high94.2Very high24 Ų2425.7 Ų25.720%0.19814%0.14CC..Hα-helixtrans-67.2-36.2173.800000112.5S73 N74 C75 K80 I81S73-A77 WeakPolarHBondContact OG-CB 3.32Å; N74-A77 PolarHBondContact O-N 3.35Å; N74-A77 PolarHBondContact OD1-N 2.88Å; C75-A77 VanDerWaalsContact C-N 3.31Å; C75-A77 PolarHBondContact O-N 2.9Å; A77-K80 PolarHBondContact O-N 2.93Å; A77-I81 WeakPolarHBondContact O-CG1 3.48Å; A77-I81 PolarHBondContact O-N 3.43Å
78A95.9Very high93.7Very high0 Ų026.9 Ų26.90%015%0.145CC..Hα-helixtrans-64.6-46.5173.900000112.1T72 N74 C75 K80 I81 V82 T194 L210T72-A78 HydrophobicContact CG2-CB 3.93Å; N74-A78 PolarHBondContact O-N 3.04Å; N74-A78 VanDerWaalsContact O-N 3.09Å; C75-A78 WeakPolarHBondContact O-CA 3.4Å; C75-A78 WeakPolarHBondContact O-CB 3.39Å; C75-A78 PolarHBondContact O-N 2.76Å; A78-K80 VanDerWaalsContact C-N 3.28Å; A78-K80 PolarHBondContact O-N 2.97Å; A78-I81 PolarHBondContact O-N 3.43Å; A78-V82 PolarHBondContact O-N 3.01Å; A78-V82 VanDerWaalsContact O-N 3.09Å; A78-T194 HydrophobicContact CB-CG2 3.58Å; A78-L210 HydrophobicContact CB-CB 3.78Å
79L95.9Very high92.7Very high2 Ų229.8 Ų29.81%0.0117%0.165CC..Hα-helixtrans-59.5-40.4174.4-70.8169000111.5C75 S76 V82 A83 V124 M127 T194C75-L79 WeakPolarHBondContact O-CG 3.28Å; C75-L79 PolarHBondContact O-N 3.42Å; S76-L79 PolarHBondContact O-N 2.76Å; L79-V82 PolarHBondContact O-N 3.17Å; L79-A83 PolarHBondContact O-N 2.9Å; L79-V124 HydrophobicContact CD1-CG2 3.69Å; L79-V124 HydrophobicContact CD2-CG2 4.15Å; L79-M127 HydrophobicContact CB-SD 4.25Å; L79-M127 HydrophobicContact CD2-SD 3.87Å; L79-T194 HydrophobicContact CD2-CG2 3.86Å; L79-T194 HydrophobicContact CG-CG2 4Å
80K94.4Very high90.9Very high117 Ų11732.1 Ų32.151%0.50918%0.18SC..Hα-helixtrans-61.2-46.5175-176.6178.7175.8-178.80112S76 A77 A78 V82 A83 E84S76-K80 WeakPolarHBondContact O-CB 3.21Å; S76-K80 PolarHBondContact O-N 3.29Å; A77-K80 PolarHBondContact O-N 2.93Å; A78-K80 VanDerWaalsContact C-N 3.28Å; A78-K80 PolarHBondContact O-N 2.97Å; K80-V82 VanDerWaalsContact C-N 3.28Å; K80-V82 PolarHBondContact O-N 2.91Å; K80-A83 PolarHBondContact O-N 3.13Å; K80-A83 VanDerWaalsContact O-N 3.17Å; K80-E84 WeakPolarHBondContact CE-OE1 3.49Å; K80-E84 WeakPolarHBondContact CE-OE2 3.45Å; K80-E84 HydrophobicContact CG-CG 4.25Å; K80-E84 IonicContact NZ-OE1 2.74Å; K80-E84 WeakPolarHBondContact O-CB 3.46Å; K80-E84 PolarHBondContact O-N 2.86Å
81I93.3Very high88.9Confident23 Ų2341.6 Ų41.612%0.11822%0.221CC..Hα-helixtrans-57.2-44.4176.3-73.2171.2000110.9T72 A77 A78 S85 L210 F248T72-I81 HydrophobicContact CG2-CD1 3.76Å; A77-I81 WeakPolarHBondContact O-CG1 3.48Å; A77-I81 PolarHBondContact O-N 3.43Å; A78-I81 PolarHBondContact O-N 3.43Å; I81-S85 WeakPolarHBondContact O-CB 3.41Å; I81-S85 PolarHBondContact O-N 3.03Å; I81-S85 PolarHBondContact O-OG 3.46Å; I81-L210 HydrophobicContact CB-CD2 4.32Å; I81-L210 HydrophobicContact CG2-CD2 3.81Å; I81-F248 HydrophobicContact CG2-CD1 3.61Å; I81-F248 HydrophobicContact CG2-CE1 4.23Å; I81-F248 HydrophobicContact CG2-CG 4.4Å
82V94.5Very high86.5Confident4 Ų446.4 Ų46.42%0.02426%0.256CS..Hα-helixtrans-59.7-53.5175.4176.40000109.5A78 L79 K80 E84 S85 F86 M127 F192 L210A78-V82 PolarHBondContact O-N 3.01Å; A78-V82 VanDerWaalsContact O-N 3.09Å; L79-V82 PolarHBondContact O-N 3.17Å; K80-V82 VanDerWaalsContact C-N 3.28Å; K80-V82 PolarHBondContact O-N 2.91Å; V82-E84 PolarHBondContact O-N 3.06Å; V82-S85 PolarHBondContact O-N 2.78Å; V82-F86 WeakPolarHBondContact O-CB 3.26Å; V82-F86 PolarHBondContact O-N 2.87Å; V82-M127 HydrophobicContact CB-CE 4.23Å; V82-M127 HydrophobicContact CG1-CE 3.86Å; V82-F192 HydrophobicContact CG1-CD2 3.83Å; V82-F192 HydrophobicContact CG1-CE2 4.12Å; V82-F192 HydrophobicContact CG1-CG 4.21Å; V82-F192 HydrophobicContact CG2-CB 4.01Å; V82-F192 HydrophobicContact CG2-CD1 4.26Å; V82-F192 HydrophobicContact CG2-CD2 4.41Å; V82-F192 HydrophobicContact CG2-CG 3.95Å; V82-L210 HydrophobicContact CG2-CD1 3.66Å; V82-L210 HydrophobicContact CG2-CD2 3.93Å; V82-L210 HydrophobicContact CG2-CG 4.48Å
83A93.3Very high84.3Confident2 Ų248.9 Ų48.92%0.01727%0.271CS..Hα-helixtrans-60.2-41.8-176.800000113.9L79 K80 W88 M127 H130L79-A83 PolarHBondContact O-N 2.9Å; K80-A83 PolarHBondContact O-N 3.13Å; K80-A83 VanDerWaalsContact O-N 3.17Å; A83-W88 PolarHBondContact O-NE1 2.94Å; A83-M127 HydrophobicContact CB-CB 3.89Å; A83-M127 HydrophobicContact CB-CE 4.01Å; A83-M127 HydrophobicContact CB-CG 3.86Å; A83-H130 HydrophobicContact CB-CB 4.18Å; A83-H130 WeakPolarHBondContact O-CB 3.26Å
84E91.4Very high82.1Confident86 Ų8649.2 Ų49.240%0.40228%0.284SS..Hα-helixtrans-76.6-29-178.2-74.9-179.3160.100113.5K80 V82 H130K80-E84 WeakPolarHBondContact CE-OE1 3.49Å; K80-E84 WeakPolarHBondContact CE-OE2 3.45Å; K80-E84 HydrophobicContact CG-CG 4.25Å; K80-E84 IonicContact NZ-OE1 2.74Å; K80-E84 WeakPolarHBondContact O-CB 3.46Å; K80-E84 PolarHBondContact O-N 2.86Å; V82-E84 PolarHBondContact O-N 3.06Å; E84-H130 WeakPolarHBondContact CG-CE1 3.29Å; E84-H130 IonicContact OE1-CE1 3.55Å
85S91.4Very high79.8Confident2 Ų253.4 Ų53.41%0.01432%0.317CS..Hα-helixtrans-102.1-15.8-175.2-46.80000112.8I81 V82 N87 L220 Q221I81-S85 WeakPolarHBondContact O-CB 3.41Å; I81-S85 PolarHBondContact O-N 3.03Å; I81-S85 PolarHBondContact O-OG 3.46Å; V82-S85 PolarHBondContact O-N 2.78Å; S85-N87 PolarHBondContact O-N 3.02Å; S85-L220 CarbonylContact O-C 3.54Å; S85-L220 WeakPolarHBondContact O-CA 3.41Å; S85-Q221 CarbonylContact O-C 3.58Å; S85-Q221 PolarHBondContact O-N 2.94Å
86F91.6Very high77.7Confident39 Ų3955.2 Ų55.217%0.17134%0.336CS..BIsolated β-bridgetrans-64.6131.7-178.2-170.5-93.9000110.5V82 W88 Y169 F192 V219 L220V82-F86 WeakPolarHBondContact O-CB 3.26Å; V82-F86 PolarHBondContact O-N 2.87Å; F86-W88 VanDerWaalsContact C-N 3.35Å; F86-W88 HydrophobicContact CB-CZ2 4.3Å; F86-W88 AromaticContact CD1-CD2 3.68Å; F86-W88 HydrophobicContact CD1-CD2 3.68Å; F86-W88 AromaticContact CD1-CE2 3.9Å; F86-W88 AromaticContact CD1-CE3 3.82Å; F86-W88 HydrophobicContact CD1-CE3 3.82Å; F86-W88 HydrophobicContact CD1-CG 4.08Å; F86-W88 HydrophobicContact CD1-CH2 4.4Å; F86-W88 HydrophobicContact CD1-CZ2 4.28Å; F86-W88 HydrophobicContact CD1-CZ3 4.17Å; F86-W88 HydrophobicContact CE1-CD2 4.42Å; F86-W88 HydrophobicContact CE1-CE3 4.15Å; F86-W88 HydrophobicContact CE1-CZ3 4.42Å; F86-W88 PolarHBondContact O-N 2.93Å; F86-W88 PolarHBondContact O-NE1 3.15Å; F86-Y169 AromaticContact CE2-CD2 3.95Å; F86-Y169 HydrophobicContact CE2-CD2 3.95Å; F86-Y169 AromaticContact CE2-CG 3.91Å; F86-Y169 HydrophobicContact CE2-CG 3.91Å; F86-Y169 AromaticContact CZ-CD2 3.69Å; F86-Y169 HydrophobicContact CZ-CD2 3.69Å; F86-Y169 HydrophobicContact CZ-CE2 4.42Å; F86-Y169 HydrophobicContact CZ-CG 4.09Å; F86-F192 AromaticContact CD2-CE2 3.99Å; F86-F192 HydrophobicContact CD2-CE2 3.99Å; F86-F192 HydrophobicContact CD2-CZ 4.15Å; F86-F192 HydrophobicContact CE2-CE2 4.01Å; F86-F192 HydrophobicContact CE2-CZ 4.29Å; F86-V219 CarbonylContact C-O 3.55Å; F86-V219 HydrophobicContact CD2-CB 4.4Å; F86-V219 HydrophobicContact CD2-CG2 3.69Å; F86-V219 HydrophobicContact CE2-CB 4.14Å; F86-V219 HydrophobicContact CE2-CG2 3.47Å; F86-V219 VanDerWaalsContact CE2-CG2 3.47Å; F86-V219 HydrophobicContact CZ-CG2 4.43Å; F86-L220 HydrophobicContact CB-CD2 4.35Å; F86-L220 HydrophobicContact CD2-CD2 4.31Å
87N88.7Confident75.6Confident48 Ų4858 Ų5826%0.25735%0.353SS..  trans-75.490.3174.5-175.55.8000110.1S85 S89 V219S85-N87 PolarHBondContact O-N 3.02Å; N87-S89 PolarHBondContact O-N 3.07Å; N87-S89 WeakPolarHBondContact OD1-CB 3.41Å; N87-S89 PolarHBondContact OD1-N 2.9Å; N87-S89 VanDerWaalsContact OD1-N 3.15Å; N87-S89 PolarHBondContact OD1-OG 2.84Å; N87-V219 PolarHBondContact N-O 3.13Å
88W85.2Confident73.7Confident26 Ų2658.2 Ų58.210%0.09835%0.351CS..  trans-70.4-9.9177.5-63.5103.4000114.2A83 F86 F114 A131 Q134 V136A83-W88 PolarHBondContact O-NE1 2.94Å; F86-W88 VanDerWaalsContact C-N 3.35Å; F86-W88 HydrophobicContact CB-CZ2 4.3Å; F86-W88 AromaticContact CD1-CD2 3.68Å; F86-W88 HydrophobicContact CD1-CD2 3.68Å; F86-W88 AromaticContact CD1-CE2 3.9Å; F86-W88 AromaticContact CD1-CE3 3.82Å; F86-W88 HydrophobicContact CD1-CE3 3.82Å; F86-W88 HydrophobicContact CD1-CG 4.08Å; F86-W88 HydrophobicContact CD1-CH2 4.4Å; F86-W88 HydrophobicContact CD1-CZ2 4.28Å; F86-W88 HydrophobicContact CD1-CZ3 4.17Å; F86-W88 HydrophobicContact CE1-CD2 4.42Å; F86-W88 HydrophobicContact CE1-CE3 4.15Å; F86-W88 HydrophobicContact CE1-CZ3 4.42Å; F86-W88 PolarHBondContact O-N 2.93Å; F86-W88 PolarHBondContact O-NE1 3.15Å; W88-F114 HydrophobicContact CH2-CB 4.16Å; W88-F114 AromaticContact CH2-CD2 3.72Å; W88-F114 HydrophobicContact CH2-CD2 3.72Å; W88-F114 HydrophobicContact CH2-CE2 4.38Å; W88-F114 HydrophobicContact CH2-CG 4.01Å; W88-F114 HydrophobicContact CZ3-CB 3.8Å; W88-F114 HydrophobicContact CZ3-CD2 4.05Å; W88-F114 HydrophobicContact CZ3-CG 4.16Å; W88-A131 HydrophobicContact CD2-CB 4.17Å; W88-A131 HydrophobicContact CE3-CB 3.82Å; W88-A131 HydrophobicContact CH2-CB 3.84Å; W88-A131 HydrophobicContact CZ2-CB 4.17Å; W88-A131 HydrophobicContact CZ3-CB 3.67Å; W88-Q134 HydrophobicContact CB-CB 3.57Å; W88-Q134 HydrophobicContact CB-CG 3.88Å; W88-Q134 HydrophobicContact CG-CB 4.16Å; W88-Q134 HydrophobicContact CG-CG 4.13Å; W88-V136 HydrophobicContact CB-CG2 3.82Å; W88-V136 HydrophobicContact CE3-CB 4.38Å; W88-V136 HydrophobicContact CE3-CG1 4.14Å; W88-V136 HydrophobicContact CE3-CG2 4.18Å; W88-V136 VanDerWaalsContact O-CG2 3.27Å; W88-V136 WeakPolarHBondContact O-CG2 3.49Å
89S73.4Confident72Confident64 Ų6463.9 Ų63.945%0.44838%0.376SS..  trans-61.2129.9-167.4-55.50000113.5N87 K91N87-S89 PolarHBondContact O-N 3.07Å; N87-S89 WeakPolarHBondContact OD1-CB 3.41Å; N87-S89 PolarHBondContact OD1-N 2.9Å; N87-S89 VanDerWaalsContact OD1-N 3.15Å; N87-S89 PolarHBondContact OD1-OG 2.84Å; S89-K91 PolarHBondContact O-N 3.04Å
90P58.8Low70.7Confident52 Ų5270.8 Ų70.834%0.33841%0.413SS..  trans-69.6113.2165-3.919000107.8S92 V93 P112P90-S92 PolarHBondContact O-N 2.84Å; P90-S92 VanDerWaalsContact O-N 3.15Å; P90-V93 HydrophobicContact CB-CB 4.48Å; P90-P112 HydrophobicContact CB-CG 3.63Å; P90-P112 HydrophobicContact CG-CG 3.98Å
91K52.6Low69.8Low198 Ų19867.1 Ų67.186%0.86140%0.399SS*.SBendtrans-68.6-6173.9-83-167.5176.2-1770114S89S89-K91 PolarHBondContact O-N 3.04Å
92S44.8Very low69.3Low113 Ų11369.5 Ų69.579%0.7942%0.415SS*.SBendtrans-171.727.6-175.557.80000117.7P90P90-S92 PolarHBondContact O-N 2.84Å; P90-S92 VanDerWaalsContact O-N 3.15Å
93V49.1Very low68.6Low68 Ų6874.2 Ų74.241%0.41243%0.432SS..  trans-113.4120.2179.9-162.20000110.4P90 E111P90-V93 HydrophobicContact CB-CB 4.48Å; V93-E111 HydrophobicContact CG1-CG 4.49Å
94G49.1Very low67.9Low67 Ų6780.7 Ų80.769%0.69146%0.457SS*.  trans-55.6146.8-177.500000112.1G96G94-G96 PolarHBondContact O-N 3.33Å
95S47.6Very low67.5Low135 Ų13580.5 Ų80.594%0.94446%0.456SS*.SBendtrans-63.176.1176.852.70000111.5
96G51.2Low66.9Low42 Ų4280.4 Ų80.443%0.43346%0.455SS..  trans-105.5160.6163.200000110.2G94 L98G94-G96 PolarHBondContact O-N 3.33Å; G96-L98 PolarHBondContact O-N 2.95Å
97P49.8Very low66.2Low106 Ų10680 Ų8069%0.68846%0.456SS*.  trans-69.195.4-179.828.3-31.4000109.9F99P97-F99 PolarHBondContact O-N 2.97Å
98L55.4Low65.8Low28 Ų2887.3 Ų87.315%0.14748%0.48CS..G310 helixtrans-57.4-6.9178.1-80.4159.6000114.6G96 E111 N135 A137 Y139G96-L98 PolarHBondContact O-N 2.95Å; L98-E111 HydrophobicContact CD2-CB 4.08Å; L98-E111 HydrophobicContact CD2-CG 4.16Å; L98-N135 WeakPolarHBondContact CD1-O 3.48Å; L98-A137 HydrophobicContact CB-CB 4.34Å; L98-Y139 PolarHBondContact O-OH 3.24Å
99F61.1Low65.4Low119 Ų11991.2 Ų91.252%0.52250%0.501SS..G310 helixtrans-91.4-4.6-167-58.1-70.8000115.3P97 F132P97-F99 PolarHBondContact O-N 2.97Å; F99-F132 HydrophobicContact CE1-CD2 4.06Å; F99-F132 AromaticContact CE1-CE2 3.7Å; F99-F132 HydrophobicContact CE1-CE2 3.7Å; F99-F132 HydrophobicContact CZ-CD2 4.25Å; F99-F132 AromaticContact CZ-CE2 3.71Å; F99-F132 HydrophobicContact CZ-CE2 3.71Å
100N68.4Low65.6Low148 Ų14890.3 Ų90.379%0.79150%0.502SS*.G310 helixtrans-97-7.5179-82.72.3000114.5
101N74.6Confident66.5Low40 Ų4089.3 Ų89.321%0.21449%0.492CS..SBendtrans-84.7143178.4-71.2-25.1000110.8Q105 S106 M109 E111 Y139N101-Q105 HydrophobicContact CB-CB 4.06Å; N101-S106 VanDerWaalsContact CB-OG 3.26Å; N101-S106 WeakPolarHBondContact CB-OG 3.21Å; N101-M109 WeakPolarHBondContact ND2-CE 3.42Å; N101-E111 PolarHBondContact ND2-OE1 3.3Å; N101-E111 VanDerWaalsContact ND2-OE1 3.17Å; N101-E111 PolarHBondContact ND2-OE2 2.85Å; N101-Y139 WeakPolarHBondContact O-CE1 3.38Å; N101-Y139 PolarHBondContact O-OH 3.37Å
102T82.4Confident67.9Low73 Ų7381.5 Ų81.545%0.44846%0.462SS..  trans-68.5155.9162.261.40000110.1Y104 Q105 S106T102-Y104 PolarHBondContact O-N 3.02Å; T102-Y104 VanDerWaalsContact O-N 3.13Å; T102-Q105 WeakPolarHBondContact O-CB 3.49Å; T102-Q105 PolarHBondContact O-N 3.05Å; T102-Q105 VanDerWaalsContact OG1-CD 3.23Å; T102-Q105 VanDerWaalsContact OG1-CG 3.24Å; T102-Q105 WeakPolarHBondContact OG1-CG 3.21Å; T102-Q105 PolarHBondContact OG1-N 3.3Å; T102-Q105 PolarHBondContact OG1-OE1 3.26Å; T102-S106 PolarHBondContact O-N 2.79Å; T102-S106 PolarHBondContact O-OG 2.97Å
103W81.2Confident69.9Low103 Ų10377.7 Ų77.739%0.3944%0.435SS..Hα-helixtrans-52.3-40.6178.272.8-94.6000112.5Q105 S106 V107 I115 Y139 V141W103-Q105 PolarHBondContact O-N 2.79Å; W103-S106 PolarHBondContact O-N 3.06Å; W103-V107 HydrophobicContact CE3-CG2 4.21Å; W103-V107 WeakPolarHBondContact O-CB 3.38Å; W103-V107 WeakPolarHBondContact O-CG2 3.46Å; W103-V107 PolarHBondContact O-N 3.11Å; W103-I115 HydrophobicContact CB-CD1 4.41Å; W103-I115 HydrophobicContact CE3-CD1 4.11Å; W103-Y139 HydrophobicContact CB-CD1 3.89Å; W103-Y139 HydrophobicContact CB-CD2 3.68Å; W103-Y139 HydrophobicContact CB-CE2 4.33Å; W103-Y139 HydrophobicContact CB-CG 3.43Å; W103-Y139 VanDerWaalsContact CB-CG 3.43Å; W103-V141 HydrophobicContact CB-CG2 4.46Å; W103-V141 HydrophobicContact CD2-CG2 4.21Å; W103-V141 HydrophobicContact CG-CG2 3.95Å
104Y79.3Confident71.9Confident137 Ų13775.6 Ų75.654%0.53742%0.42SS..Hα-helixtrans-64.5-39.1178.5-178.9-95.6000112.4T102 R108T102-Y104 PolarHBondContact O-N 3.02Å; T102-Y104 VanDerWaalsContact O-N 3.13Å; Y104-R108 VanDerWaalsContact O-CB 3.32Å; Y104-R108 WeakPolarHBondContact O-CB 3.38Å; Y104-R108 PolarHBondContact O-N 3.02Å
105Q81Confident73.7Confident82 Ų8274.5 Ų74.538%0.38340%0.398SS..Hα-helixtrans-65.4-47.2176.9-76.7165.4-34.600111.1N101 T102 W103 V107 R108 M109N101-Q105 HydrophobicContact CB-CB 4.06Å; T102-Q105 WeakPolarHBondContact O-CB 3.49Å; T102-Q105 PolarHBondContact O-N 3.05Å; T102-Q105 VanDerWaalsContact OG1-CD 3.23Å; T102-Q105 VanDerWaalsContact OG1-CG 3.24Å; T102-Q105 WeakPolarHBondContact OG1-CG 3.21Å; T102-Q105 PolarHBondContact OG1-N 3.3Å; T102-Q105 PolarHBondContact OG1-OE1 3.26Å; W103-Q105 PolarHBondContact O-N 2.79Å; Q105-V107 VanDerWaalsContact C-N 3.31Å; Q105-V107 PolarHBondContact O-N 2.86Å; Q105-R108 PolarHBondContact O-N 3.35Å; Q105-M109 HydrophobicContact CB-CE 3.73Å; Q105-M109 WeakPolarHBondContact O-CB 3.37Å; Q105-M109 WeakPolarHBondContact O-CG 3.45Å; Q105-M109 PolarHBondContact O-N 2.74Å
106S80.1Confident75.7Confident0 Ų069.5 Ų69.50%036%0.359CS..Hα-helixtrans-60.9-43.2179.1-46.90000111.2N101 T102 W103 R108 M109 G110 E111 Y139N101-S106 VanDerWaalsContact CB-OG 3.26Å; N101-S106 WeakPolarHBondContact CB-OG 3.21Å; T102-S106 PolarHBondContact O-N 2.79Å; T102-S106 PolarHBondContact O-OG 2.97Å; W103-S106 PolarHBondContact O-N 3.06Å; S106-R108 PolarHBondContact O-N 3.34Å; S106-M109 PolarHBondContact O-N 2.68Å; S106-G110 PolarHBondContact O-N 2.57Å; S106-E111 PolarHBondContact O-N 3.04Å; S106-E111 PolarHBondContact OG-OE2 3.22Å; S106-Y139 PolarHBondContact OG-OH 3.47Å
107V76.6Confident77.1Confident30 Ų3069.2 Ų69.218%0.18235%0.347CS..Hα-helixtrans-59.9-47.5174.51670000111.7W103 Q105 M109 G110 I115 P165 W168W103-V107 HydrophobicContact CE3-CG2 4.21Å; W103-V107 WeakPolarHBondContact O-CB 3.38Å; W103-V107 WeakPolarHBondContact O-CG2 3.46Å; W103-V107 PolarHBondContact O-N 3.11Å; Q105-V107 VanDerWaalsContact C-N 3.31Å; Q105-V107 PolarHBondContact O-N 2.86Å; V107-M109 VanDerWaalsContact C-N 3.29Å; V107-M109 PolarHBondContact O-N 3.49Å; V107-G110 PolarHBondContact O-N 2.94Å; V107-G110 VanDerWaalsContact O-N 3.16Å; V107-I115 HydrophobicContact CG2-CD1 3.67Å; V107-P165 HydrophobicContact CG1-CG 4.15Å; V107-W168 HydrophobicContact CB-CZ2 4.08Å; V107-W168 HydrophobicContact CG1-CZ2 3.6Å; V107-W168 HydrophobicContact CG2-CH2 3.96Å; V107-W168 HydrophobicContact CG2-CZ2 3.28Å
108R79.6Confident78.5Confident202 Ų20266.8 Ų66.876%0.76233%0.326SS*.Hα-helixtrans-65.3-34.2-179.9-172.4180176.2-164.1-0.7112.2Y104 Q105 S106 G110Y104-R108 VanDerWaalsContact O-CB 3.32Å; Y104-R108 WeakPolarHBondContact O-CB 3.38Å; Y104-R108 PolarHBondContact O-N 3.02Å; Q105-R108 PolarHBondContact O-N 3.35Å; S106-R108 PolarHBondContact O-N 3.34Å; R108-G110 VanDerWaalsContact C-N 3.28Å
109M78.3Confident79.6Confident109 Ų10965.7 Ų65.754%0.53732%0.321SS..Hα-helixtrans-81-7.5177.2-69-169.9-101.700113.2N101 Q105 S106 V107 E111N101-M109 WeakPolarHBondContact ND2-CE 3.42Å; Q105-M109 HydrophobicContact CB-CE 3.73Å; Q105-M109 WeakPolarHBondContact O-CB 3.37Å; Q105-M109 WeakPolarHBondContact O-CG 3.45Å; Q105-M109 PolarHBondContact O-N 2.74Å; S106-M109 PolarHBondContact O-N 2.68Å; V107-M109 VanDerWaalsContact C-N 3.29Å; V107-M109 PolarHBondContact O-N 3.49Å; M109-E111 HydrophobicContact CB-CG 3.98Å; M109-E111 PolarHBondContact O-N 3.38Å
110G77Confident80.6Confident45 Ų4561.4 Ų61.446%0.46430%0.303SS..THydrogen-bonded Turntrans69.623.9-176.800000113S106 V107 R108S106-G110 PolarHBondContact O-N 2.57Å; V107-G110 PolarHBondContact O-N 2.94Å; V107-G110 VanDerWaalsContact O-N 3.16Å; R108-G110 VanDerWaalsContact C-N 3.28Å
111E78Confident81.3Confident30 Ų3056 Ų5614%0.1427%0.273CS..  trans-72138.9174.7-66.1178.4165.200110V93 L98 N101 S106 M109 C113V93-E111 HydrophobicContact CG1-CG 4.49Å; L98-E111 HydrophobicContact CD2-CB 4.08Å; L98-E111 HydrophobicContact CD2-CG 4.16Å; N101-E111 PolarHBondContact ND2-OE1 3.3Å; N101-E111 VanDerWaalsContact ND2-OE1 3.17Å; N101-E111 PolarHBondContact ND2-OE2 2.85Å; S106-E111 PolarHBondContact O-N 3.04Å; S106-E111 PolarHBondContact OG-OE2 3.22Å; M109-E111 HydrophobicContact CB-CG 3.98Å; M109-E111 PolarHBondContact O-N 3.38Å; E111-C113 PolarHBondContact O-N 3.23Å
112P82.1Confident81.8Confident34 Ų3456.8 Ų56.822%0.22128%0.279CS..  trans-59.3127.4172.3-21.232.6000110.2P90 V136 A137P90-P112 HydrophobicContact CB-CG 3.63Å; P90-P112 HydrophobicContact CG-CG 3.98Å; P112-V136 HydrophobicContact CB-CG1 4.24Å; P112-V136 HydrophobicContact CB-CG2 4.12Å; P112-A137 PolarHBondContact O-N 3.07Å
113C86.7Confident82.1Confident33 Ų3354.7 Ų54.722%0.22327%0.268CS..EExtended strand (participates in β ladder)trans-142.8149.7176.153.50000111.3E111 I115 A137 Y139E111-C113 PolarHBondContact O-N 3.23Å; C113-I115 HydrophobicContact CB-CG1 4.44Å; C113-A137 CarbonylContact C-O 2.99Å; C113-A137 WeakPolarHBondContact CA-O 3.42Å; C113-A137 HydrophobicContact CB-CB 4.32Å; C113-Y139 HydrophobicContact CB-CD2 3.91Å; C113-Y139 HydrophobicContact CB-CE2 3.78Å
114F90.1Very high82.4Confident24 Ų2450.5 Ų50.511%0.10525%0.254CS..EExtended strand (participates in β ladder)trans-105.6116.1165.8178.9-121.3000108.2W88 Y116 V124 M127 R128 A131 V136 A137 V138 Y139W88-F114 HydrophobicContact CH2-CB 4.16Å; W88-F114 AromaticContact CH2-CD2 3.72Å; W88-F114 HydrophobicContact CH2-CD2 3.72Å; W88-F114 HydrophobicContact CH2-CE2 4.38Å; W88-F114 HydrophobicContact CH2-CG 4.01Å; W88-F114 HydrophobicContact CZ3-CB 3.8Å; W88-F114 HydrophobicContact CZ3-CD2 4.05Å; W88-F114 HydrophobicContact CZ3-CG 4.16Å; F114-Y116 AromaticContact CD1-CD1 3.97Å; F114-Y116 HydrophobicContact CD1-CD1 3.97Å; F114-Y116 AromaticContact CE1-CD1 3.64Å; F114-Y116 HydrophobicContact CE1-CD1 3.64Å; F114-Y116 HydrophobicContact CE1-CE1 4.41Å; F114-Y116 HydrophobicContact CE1-CG 4.14Å; F114-Y116 HydrophobicContact CZ-CD1 4.4Å; F114-V124 HydrophobicContact CZ-CG1 4.44Å; F114-M127 HydrophobicContact CE1-CB 4Å; F114-M127 HydrophobicContact CE2-CB 4.4Å; F114-M127 HydrophobicContact CE2-CE 4.37Å; F114-M127 HydrophobicContact CZ-CB 3.73Å; F114-M127 HydrophobicContact CZ-SD 4.27Å; F114-R128 HydrophobicContact CD1-CB 4.25Å; F114-R128 HydrophobicContact CE1-CB 4.27Å; F114-A131 HydrophobicContact CB-CB 3.73Å; F114-A131 HydrophobicContact CD1-CB 4.43Å; F114-A131 HydrophobicContact CG-CB 4.23Å; F114-V136 HydrophobicContact CB-CG1 4.49Å; F114-A137 PolarHBondContact N-O 3.13Å; F114-V138 HydrophobicContact CB-CG2 4.42Å; F114-V138 HydrophobicContact CD1-CG1 4.37Å; F114-V138 WeakPolarHBondContact O-CA 3.11Å; F114-Y139 PolarHBondContact O-N 3.17Å
115I88.4Confident82.7Confident44 Ų4445.1 Ų45.123%0.22624%0.235CC..EExtended strand (participates in β ladder)trans-112.7128.8-179.2-62.4170.1000107.7W103 V107 C113 Y139 V141 W168W103-I115 HydrophobicContact CB-CD1 4.41Å; W103-I115 HydrophobicContact CE3-CD1 4.11Å; V107-I115 HydrophobicContact CG2-CD1 3.67Å; C113-I115 HydrophobicContact CB-CG1 4.44Å; I115-Y139 WeakPolarHBondContact CA-O 3.46Å; I115-Y139 HydrophobicContact CG1-CD2 4.21Å; I115-V141 HydrophobicContact CG2-CG2 3.54Å; I115-W168 HydrophobicContact CD1-CH2 3.43Å; I115-W168 VanDerWaalsContact CD1-CH2 3.43Å; I115-W168 HydrophobicContact CD1-CZ2 3.97Å; I115-W168 HydrophobicContact CD1-CZ3 4Å
116Y87.9Confident83.1Confident31 Ų3142.7 Ų42.712%0.12223%0.232CC..EExtended strand (participates in β ladder)trans-138.9159175.670.2-82.2000110F114 V125 V138 Y139 A140 V141F114-Y116 AromaticContact CD1-CD1 3.97Å; F114-Y116 HydrophobicContact CD1-CD1 3.97Å; F114-Y116 AromaticContact CE1-CD1 3.64Å; F114-Y116 HydrophobicContact CE1-CD1 3.64Å; F114-Y116 HydrophobicContact CE1-CE1 4.41Å; F114-Y116 HydrophobicContact CE1-CG 4.14Å; F114-Y116 HydrophobicContact CZ-CD1 4.4Å; Y116-V125 HydrophobicContact CD2-CG2 4.35Å; Y116-V125 HydrophobicContact CE2-CB 4.31Å; Y116-V125 HydrophobicContact CE2-CG1 3.74Å; Y116-V125 HydrophobicContact CE2-CG2 4.1Å; Y116-V138 HydrophobicContact CD1-CG1 4.3Å; Y116-V138 HydrophobicContact CE1-CG1 3.62Å; Y116-Y139 WeakPolarHBondContact CD1-O 3.07Å; Y116-Y139 PolarHBondContact N-O 2.93Å; Y116-A140 HydrophobicContact CE1-CB 4.17Å; Y116-A140 HydrophobicContact CE2-CB 3.94Å; Y116-A140 WeakPolarHBondContact O-CA 3.26Å; Y116-V141 PolarHBondContact O-N 2.85Å
117L82Confident83.7Confident35 Ų3543.1 Ų43.118%0.18323%0.234CC..EExtended strand (participates in β ladder)trans-82.3137177.2-58.7171.2000109D119 N120 Y156 W160L117-D119 VanDerWaalsContact CB-OD1 3.29Å; L117-D119 WeakPolarHBondContact CB-OD1 3.43Å; L117-D119 PolarHBondContact O-N 2.64Å; L117-N120 PolarHBondContact N-OD1 3.09Å; L117-N120 WeakPolarHBondContact O-CB 3.41Å; L117-N120 PolarHBondContact O-N 3.24Å; L117-N120 PolarHBondContact O-OD1 2.63Å; L117-Y156 HydrophobicContact CD1-CD2 3.93Å; L117-Y156 HydrophobicContact CD1-CE1 4.17Å; L117-Y156 HydrophobicContact CD1-CE2 3.32Å; L117-Y156 VanDerWaalsContact CD1-CZ 3.45Å; L117-W160 HydrophobicContact CD1-CZ3 4.39Å
118Q78.4Confident84.3Confident55 Ų5546.7 Ų46.726%0.25724%0.244SC..THydrogen-bonded Turntrans-56.2-27.8-176.2-178.1170.1-500113.2V141 G359 L363Q118-V141 PolarHBondContact N-O 3.22Å; Q118-G359 WeakPolarHBondContact O-CA 3.3Å; Q118-L363 HydrophobicContact CB-CD1 4.34Å; Q118-L363 HydrophobicContact CG-CD1 4.06Å
119D77.5Confident84.7Confident6 Ų640.2 Ų40.23%0.03223%0.227CC..THydrogen-bonded Turntrans-90.21.2-179.962.44.9000114.7L117 S148 Y156 N357 A360L117-D119 VanDerWaalsContact CB-OD1 3.29Å; L117-D119 WeakPolarHBondContact CB-OD1 3.43Å; L117-D119 PolarHBondContact O-N 2.64Å; D119-S148 PolarHBondContact OD1-OG 3.12Å; D119-S148 VanDerWaalsContact OD2-CA 3.29Å; D119-S148 WeakPolarHBondContact OD2-CA 3.28Å; D119-S148 WeakPolarHBondContact OD2-CB 3.19Å; D119-S148 PolarHBondContact OD2-N 3.28Å; D119-S148 VanDerWaalsContact OD2-N 3.13Å; D119-S148 PolarHBondContact OD2-OG 3.4Å; D119-Y156 PolarHBondContact OD1-OH 2.85Å; D119-Y156 PolarHBondContact OD2-OH 2.92Å; D119-N357 PolarHBondContact O-ND2 2.05Å; D119-A360 HydrophobicContact CB-CB 3.63Å
120N82.6Confident85.2Confident29 Ų2937.6 Ų37.616%0.15521%0.214CC..SBendtrans-57.8151.8178.4-74148.3000111.9L117 V124 V125L117-N120 PolarHBondContact N-OD1 3.09Å; L117-N120 WeakPolarHBondContact O-CB 3.41Å; L117-N120 PolarHBondContact O-N 3.24Å; L117-N120 PolarHBondContact O-OD1 2.63Å; N120-V124 HydrophobicContact CB-CB 3.82Å; N120-V124 HydrophobicContact CB-CG1 3.87Å; N120-V124 HydrophobicContact CB-CG2 4.32Å; N120-V125 HydrophobicContact CB-CG2 4.49Å; N120-V125 WeakPolarHBondContact O-CG2 3.33Å
121H84.5Confident85.7Confident35 Ų3535.5 Ų35.516%0.16219%0.191CC..  trans-55.5143.7175.4-176.8-101.5000110.7S123 V124 V125 C356H121-S123 PolarHBondContact CE1-OG 3.19Å; H121-S123 VanDerWaalsContact CE1-OG 3.23Å; H121-S123 WeakPolarHBondContact ND1-CB 3.25Å; H121-S123 PolarHBondContact ND1-N 3.32Å; H121-S123 PolarHBondContact ND1-OG 2.84Å; H121-S123 VanDerWaalsContact ND1-OG 3.13Å; H121-S123 PolarHBondContact O-N 3.06Å; H121-V124 WeakPolarHBondContact O-CB 3.31Å; H121-V124 PolarHBondContact O-N 2.59Å; H121-V125 PolarHBondContact O-N 2.92Å; H121-C356 WeakPolarHBondContact NE2-CB 3.39Å
122T84.9Confident86Confident55 Ų5539.8 Ų39.834%0.33721%0.21SC..Hα-helixtrans-49.7-29.6-176.549.80000114.1V125 G126 C356T122-V125 PolarHBondContact O-N 3.44Å; T122-G126 PolarHBondContact O-N 2.69Å; T122-C356 HydrophobicContact CG2-CB 4.46Å; T122-C356 WeakPolarHBondContact CG2-O 3.43Å; T122-C356 PolarHBondContact N-O 2.83Å
123S87.6Confident86.1Confident30 Ų3044.6 Ų44.621%0.2123%0.231CC..Hα-helixtrans-64.6-38.3174.6-53.80000114S76 H121 G126S76-S123 WeakPolarHBondContact CB-OG 3.37Å; S76-S123 PolarHBondContact OG-OG 2.81Å; H121-S123 PolarHBondContact CE1-OG 3.19Å; H121-S123 VanDerWaalsContact CE1-OG 3.23Å; H121-S123 WeakPolarHBondContact ND1-CB 3.25Å; H121-S123 PolarHBondContact ND1-N 3.32Å; H121-S123 PolarHBondContact ND1-OG 2.84Å; H121-S123 VanDerWaalsContact ND1-OG 3.13Å; H121-S123 PolarHBondContact O-N 3.06Å; S123-G126 PolarHBondContact O-N 2.92Å
124V88Confident86Confident15 Ų1547.9 Ų47.99%0.09124%0.243CC..Hα-helixtrans-69.2-45.7174.1177.10000109.5L79 F114 N120 H121 G126 M127 D173L79-V124 HydrophobicContact CD1-CG2 3.69Å; L79-V124 HydrophobicContact CD2-CG2 4.15Å; F114-V124 HydrophobicContact CZ-CG1 4.44Å; N120-V124 HydrophobicContact CB-CB 3.82Å; N120-V124 HydrophobicContact CB-CG1 3.87Å; N120-V124 HydrophobicContact CB-CG2 4.32Å; H121-V124 WeakPolarHBondContact O-CB 3.31Å; H121-V124 PolarHBondContact O-N 2.59Å; V124-G126 PolarHBondContact O-N 3.35Å; V124-M127 VanDerWaalsContact O-CB 3.25Å; V124-M127 WeakPolarHBondContact O-CB 3.46Å; V124-M127 WeakPolarHBondContact O-CG 3.14Å; V124-M127 PolarHBondContact O-N 3.25Å; V124-D173 HydrophobicContact CG2-CB 4.21Å
125V86Confident85.7Confident24 Ų2452.1 Ų52.115%0.14527%0.267CS..Hα-helixtrans-58-35.6176.5-163.10000109.8Y116 N120 H121 T122 M127 R128Y116-V125 HydrophobicContact CD2-CG2 4.35Å; Y116-V125 HydrophobicContact CE2-CB 4.31Å; Y116-V125 HydrophobicContact CE2-CG1 3.74Å; Y116-V125 HydrophobicContact CE2-CG2 4.1Å; N120-V125 HydrophobicContact CB-CG2 4.49Å; N120-V125 WeakPolarHBondContact O-CG2 3.33Å; H121-V125 PolarHBondContact O-N 2.92Å; T122-V125 PolarHBondContact O-N 3.44Å; V125-M127 VanDerWaalsContact C-N 3.27Å; V125-M127 PolarHBondContact O-N 2.85Å; V125-R128 VanDerWaalsContact O-CB 3.26Å; V125-R128 WeakPolarHBondContact O-CB 3.47Å; V125-R128 WeakPolarHBondContact O-CD 3.32Å; V125-R128 WeakPolarHBondContact O-CG 3.36Å; V125-R128 PolarHBondContact O-N 3.29Å; V125-R128 PolarHBondContact O-NH1 2.92Å
126G88.7Confident85.5Confident31 Ų3150.1 Ų50.132%0.3226%0.257SS..Hα-helixtrans-61.5-27.2176.300000114.8T122 S123 V124 R128 V129T122-G126 PolarHBondContact O-N 2.69Å; S123-G126 PolarHBondContact O-N 2.92Å; V124-G126 PolarHBondContact O-N 3.35Å; G126-R128 PolarHBondContact O-N 3.08Å; G126-R128 VanDerWaalsContact O-N 3.13Å; G126-V129 PolarHBondContact O-N 3.12Å
127M92.1Very high85.4Confident9 Ų948.7 Ų48.74%0.04425%0.251CS..THydrogen-bonded Turntrans-60.5-25.1177-55.8178.661.200112.2L79 V82 A83 F114 V124 V125 V129 H130 A131L79-M127 HydrophobicContact CB-SD 4.25Å; L79-M127 HydrophobicContact CD2-SD 3.87Å; V82-M127 HydrophobicContact CB-CE 4.23Å; V82-M127 HydrophobicContact CG1-CE 3.86Å; A83-M127 HydrophobicContact CB-CB 3.89Å; A83-M127 HydrophobicContact CB-CE 4.01Å; A83-M127 HydrophobicContact CB-CG 3.86Å; F114-M127 HydrophobicContact CE1-CB 4Å; F114-M127 HydrophobicContact CE2-CB 4.4Å; F114-M127 HydrophobicContact CE2-CE 4.37Å; F114-M127 HydrophobicContact CZ-CB 3.73Å; F114-M127 HydrophobicContact CZ-SD 4.27Å; V124-M127 VanDerWaalsContact O-CB 3.25Å; V124-M127 WeakPolarHBondContact O-CB 3.46Å; V124-M127 WeakPolarHBondContact O-CG 3.14Å; V124-M127 PolarHBondContact O-N 3.25Å; V125-M127 VanDerWaalsContact C-N 3.27Å; V125-M127 PolarHBondContact O-N 2.85Å; M127-V129 PolarHBondContact O-N 2.79Å; M127-V129 VanDerWaalsContact O-N 3.12Å; M127-H130 PolarHBondContact O-N 2.7Å; M127-A131 PolarHBondContact O-N 3.41Å
128R90.1Very high85.7Confident105 Ų10549 Ų4940%0.39625%0.254SS..Hα-helixtrans-54.2-32.2178.180.9-170.5177.9-89.312.8113.6F114 V125 G126 H130 A131 F132 V138F114-R128 HydrophobicContact CD1-CB 4.25Å; F114-R128 HydrophobicContact CE1-CB 4.27Å; V125-R128 VanDerWaalsContact O-CB 3.26Å; V125-R128 WeakPolarHBondContact O-CB 3.47Å; V125-R128 WeakPolarHBondContact O-CD 3.32Å; V125-R128 WeakPolarHBondContact O-CG 3.36Å; V125-R128 PolarHBondContact O-N 3.29Å; V125-R128 PolarHBondContact O-NH1 2.92Å; G126-R128 PolarHBondContact O-N 3.08Å; G126-R128 VanDerWaalsContact O-N 3.13Å; R128-H130 VanDerWaalsContact C-N 3.34Å; R128-A131 PolarHBondContact O-N 3.03Å; R128-F132 WeakPolarHBondContact O-CB 3.14Å; R128-F132 PolarHBondContact O-N 3.06Å; R128-V138 HydrophobicContact CB-CG1 3.74Å; R128-V138 HydrophobicContact CB-CG2 4.19Å
129V87.5Confident86.2Confident66 Ų6647.7 Ų47.740%0.425%0.247SC..Hα-helixtrans-64.8-41.9-178.9178.10000110.3G126 M127 F132 M133G126-V129 PolarHBondContact O-N 3.12Å; M127-V129 PolarHBondContact O-N 2.79Å; M127-V129 VanDerWaalsContact O-N 3.12Å; V129-F132 PolarHBondContact O-N 3.21Å; V129-M133 HydrophobicContact CG1-CE 3.76Å; V129-M133 HydrophobicContact CG1-CG 4.47Å; V129-M133 HydrophobicContact CG1-SD 4.16Å; V129-M133 WeakPolarHBondContact O-CB 3.26Å; V129-M133 VanDerWaalsContact O-CG 3.24Å; V129-M133 WeakPolarHBondContact O-CG 3.21Å; V129-M133 PolarHBondContact O-N 2.88Å
130H88.7Confident86.5Confident54 Ų5449.8 Ų49.825%0.2527%0.266CS..Hα-helixtrans-68.8-42178.5-67.5-77.5000112A83 E84 M127 R128 M133 Q134A83-H130 HydrophobicContact CB-CB 4.18Å; A83-H130 WeakPolarHBondContact O-CB 3.26Å; E84-H130 WeakPolarHBondContact CG-CE1 3.29Å; E84-H130 IonicContact OE1-CE1 3.55Å; M127-H130 PolarHBondContact O-N 2.7Å; R128-H130 VanDerWaalsContact C-N 3.34Å; H130-M133 PolarHBondContact O-N 2.88Å; H130-Q134 WeakPolarHBondContact O-CG 3.44Å; H130-Q134 PolarHBondContact O-N 2.89Å
131A87.6Confident86.4Confident0 Ų049.4 Ų49.40%026%0.264CS..Hα-helixtrans-60.1-48.9173.600000111.2W88 F114 M127 R128 M133 Q134 N135 V136 V138W88-A131 HydrophobicContact CD2-CB 4.17Å; W88-A131 HydrophobicContact CE3-CB 3.82Å; W88-A131 HydrophobicContact CH2-CB 3.84Å; W88-A131 HydrophobicContact CZ2-CB 4.17Å; W88-A131 HydrophobicContact CZ3-CB 3.67Å; F114-A131 HydrophobicContact CB-CB 3.73Å; F114-A131 HydrophobicContact CD1-CB 4.43Å; F114-A131 HydrophobicContact CG-CB 4.23Å; M127-A131 PolarHBondContact O-N 3.41Å; R128-A131 PolarHBondContact O-N 3.03Å; A131-M133 PolarHBondContact O-N 3.31Å; A131-Q134 CarbonylContact O-C 3.58Å; A131-Q134 PolarHBondContact O-N 3.34Å; A131-N135 PolarHBondContact O-N 3.09Å; A131-V136 HydrophobicContact CB-CB 4.11Å; A131-V136 HydrophobicContact CB-CG1 4.26Å; A131-V136 WeakPolarHBondContact O-CB 3.45Å; A131-V136 PolarHBondContact O-N 3.2Å; A131-V138 HydrophobicContact CB-CG2 4.02Å
132F84.7Confident85.7Confident121 Ų12150.7 Ų50.753%0.53127%0.272SS..Hα-helixtrans-61.4-43.5179.9-175.8-95000112.4F99 R128 V129 Q134 N135 V138F99-F132 HydrophobicContact CE1-CD2 4.06Å; F99-F132 AromaticContact CE1-CE2 3.7Å; F99-F132 HydrophobicContact CE1-CE2 3.7Å; F99-F132 HydrophobicContact CZ-CD2 4.25Å; F99-F132 AromaticContact CZ-CE2 3.71Å; F99-F132 HydrophobicContact CZ-CE2 3.71Å; R128-F132 WeakPolarHBondContact O-CB 3.14Å; R128-F132 PolarHBondContact O-N 3.06Å; V129-F132 PolarHBondContact O-N 3.21Å; F132-Q134 PolarHBondContact O-N 2.8Å; F132-Q134 VanDerWaalsContact O-N 3.13Å; F132-N135 PolarHBondContact O-N 3.19Å; F132-V138 HydrophobicContact CB-CG2 4.47Å
133M84.6Confident84.4Confident134 Ų13452.2 Ų52.266%0.6628%0.276SS*.Hα-helixtrans-60.5-21.7175.6-77.1-179.8174.800113.4V129 H130 A131V129-M133 HydrophobicContact CG1-CE 3.76Å; V129-M133 HydrophobicContact CG1-CG 4.47Å; V129-M133 HydrophobicContact CG1-SD 4.16Å; V129-M133 WeakPolarHBondContact O-CB 3.26Å; V129-M133 VanDerWaalsContact O-CG 3.24Å; V129-M133 WeakPolarHBondContact O-CG 3.21Å; V129-M133 PolarHBondContact O-N 2.88Å; H130-M133 PolarHBondContact O-N 2.88Å; A131-M133 PolarHBondContact O-N 3.31Å
134Q84.7Confident82.6Confident102 Ų10259.4 Ų59.448%0.47730%0.303SS..THydrogen-bonded Turntrans-99.616.1177.4-62.9-69.5-25.100112.5W88 H130 A131 F132 V136W88-Q134 HydrophobicContact CB-CB 3.57Å; W88-Q134 HydrophobicContact CB-CG 3.88Å; W88-Q134 HydrophobicContact CG-CB 4.16Å; W88-Q134 HydrophobicContact CG-CG 4.13Å; H130-Q134 WeakPolarHBondContact O-CG 3.44Å; H130-Q134 PolarHBondContact O-N 2.89Å; A131-Q134 CarbonylContact O-C 3.58Å; A131-Q134 PolarHBondContact O-N 3.34Å; F132-Q134 PolarHBondContact O-N 2.8Å; F132-Q134 VanDerWaalsContact O-N 3.13Å; Q134-V136 VanDerWaalsContact C-N 3.26Å; Q134-V136 HydrophobicContact CB-CG2 4.44Å; Q134-V136 PolarHBondContact O-N 2.76Å
135N82.6Confident80.2Confident114 Ų11461.6 Ų61.661%0.6132%0.323SS*.THydrogen-bonded Turntrans56.536.1-176.7-59.3-59.7000113.5L98 A131 F132L98-N135 WeakPolarHBondContact CD1-O 3.48Å; A131-N135 PolarHBondContact O-N 3.09Å; F132-N135 PolarHBondContact O-N 3.19Å
136V85.8Confident77.9Confident1 Ų162.8 Ų62.81%0.00633%0.328CS..  trans-95.2135.8172.9174.60000109.5W88 P112 F114 A131 Q134W88-V136 HydrophobicContact CB-CG2 3.82Å; W88-V136 HydrophobicContact CE3-CB 4.38Å; W88-V136 HydrophobicContact CE3-CG1 4.14Å; W88-V136 HydrophobicContact CE3-CG2 4.18Å; W88-V136 VanDerWaalsContact O-CG2 3.27Å; W88-V136 WeakPolarHBondContact O-CG2 3.49Å; P112-V136 HydrophobicContact CB-CG1 4.24Å; P112-V136 HydrophobicContact CB-CG2 4.12Å; F114-V136 HydrophobicContact CB-CG1 4.49Å; A131-V136 HydrophobicContact CB-CB 4.11Å; A131-V136 HydrophobicContact CB-CG1 4.26Å; A131-V136 WeakPolarHBondContact O-CB 3.45Å; A131-V136 PolarHBondContact O-N 3.2Å; Q134-V136 VanDerWaalsContact C-N 3.26Å; Q134-V136 HydrophobicContact CB-CG2 4.44Å; Q134-V136 PolarHBondContact O-N 2.76Å
137A85.6Confident75.5Confident1 Ų162.6 Ų62.61%0.00832%0.321CS..EExtended strand (participates in β ladder)trans-65.313617700000110.8L98 P112 C113 F114 Y139L98-A137 HydrophobicContact CB-CB 4.34Å; P112-A137 PolarHBondContact O-N 3.07Å; C113-A137 CarbonylContact C-O 2.99Å; C113-A137 WeakPolarHBondContact CA-O 3.42Å; C113-A137 HydrophobicContact CB-CB 4.32Å; F114-A137 PolarHBondContact N-O 3.13Å; A137-Y139 HydrophobicContact CB-CD2 4.46Å; A137-Y139 HydrophobicContact CB-CE2 3.52Å; A137-Y139 WeakPolarHBondContact CB-OH 3.16Å
138V88.5Confident73Confident41 Ų4162.2 Ų62.225%0.24832%0.319CS..EExtended strand (participates in β ladder)trans-114.8128.1-178.3172.50000109.1F114 Y116 R128 A131 F132F114-V138 HydrophobicContact CB-CG2 4.42Å; F114-V138 HydrophobicContact CD1-CG1 4.37Å; F114-V138 WeakPolarHBondContact O-CA 3.11Å; Y116-V138 HydrophobicContact CD1-CG1 4.3Å; Y116-V138 HydrophobicContact CE1-CG1 3.62Å; R128-V138 HydrophobicContact CB-CG1 3.74Å; R128-V138 HydrophobicContact CB-CG2 4.19Å; A131-V138 HydrophobicContact CB-CG2 4.02Å; F132-V138 HydrophobicContact CB-CG2 4.47Å
139Y87Confident71.4Confident29 Ų2958.5 Ų58.511%0.11431%0.308CS..EExtended strand (participates in β ladder)trans-127.8118.4178.8-58.4-71000111.3L98 N101 W103 S106 C113 F114 I115 Y116 A137L98-Y139 PolarHBondContact O-OH 3.24Å; N101-Y139 WeakPolarHBondContact O-CE1 3.38Å; N101-Y139 PolarHBondContact O-OH 3.37Å; W103-Y139 HydrophobicContact CB-CD1 3.89Å; W103-Y139 HydrophobicContact CB-CD2 3.68Å; W103-Y139 HydrophobicContact CB-CE2 4.33Å; W103-Y139 HydrophobicContact CB-CG 3.43Å; W103-Y139 VanDerWaalsContact CB-CG 3.43Å; S106-Y139 PolarHBondContact OG-OH 3.47Å; C113-Y139 HydrophobicContact CB-CD2 3.91Å; C113-Y139 HydrophobicContact CB-CE2 3.78Å; F114-Y139 PolarHBondContact O-N 3.17Å; I115-Y139 WeakPolarHBondContact CA-O 3.46Å; I115-Y139 HydrophobicContact CG1-CD2 4.21Å; Y116-Y139 WeakPolarHBondContact CD1-O 3.07Å; Y116-Y139 PolarHBondContact N-O 2.93Å; A137-Y139 HydrophobicContact CB-CD2 4.46Å; A137-Y139 HydrophobicContact CB-CE2 3.52Å; A137-Y139 WeakPolarHBondContact CB-OH 3.16Å
140A85.3Confident69.9Low50 Ų5055.9 Ų55.941%0.41329%0.292SS..EExtended strand (participates in β ladder)trans-80.1121.5159.500000107.7Y116Y116-A140 HydrophobicContact CE1-CB 4.17Å; Y116-A140 HydrophobicContact CE2-CB 3.94Å; Y116-A140 WeakPolarHBondContact O-CA 3.26Å
141V79.4Confident69.1Low21 Ų2153.4 Ų53.413%0.12728%0.28CS..EExtended strand (participates in β ladder)trans-102117.7176.4-175.60000107.8W103 I115 Y116 Q118W103-V141 HydrophobicContact CB-CG2 4.46Å; W103-V141 HydrophobicContact CD2-CG2 4.21Å; W103-V141 HydrophobicContact CG-CG2 3.95Å; I115-V141 HydrophobicContact CG2-CG2 3.54Å; Y116-V141 PolarHBondContact O-N 2.85Å; Q118-V141 PolarHBondContact N-O 3.22Å
142D69.5Low68.6Low62 Ų6253.4 Ų53.433%0.33228%0.28SS..  trans-85.9111.6162.1179.911.8000106.8K144D142-K144 HydrophobicContact CB-CG 4.44Å; D142-K144 PolarHBondContact O-N 3.44Å; D142-K144 VanDerWaalsContact O-N 3.1Å; D142-K144 WeakPolarHBondContact OD1-CA 3.41Å; D142-K144 PolarHBondContact OD1-N 3.14Å; D142-K144 VanDerWaalsContact OD2-CG 3.23Å; D142-K144 WeakPolarHBondContact OD2-CG 3.41Å
143E57.5Low68.4Low87 Ų8748 Ų4841%0.40726%0.259SS..  trans-77.719.3173.5-132.8-178179.500111.8A145 L146 W160E143-A145 PolarHBondContact O-N 3.07Å; E143-L146 HydrophobicContact CB-CD1 4.44Å; E143-L146 WeakPolarHBondContact OE2-CD1 3.31Å; E143-W160 VanDerWaalsContact CD-CH2 3.47Å; E143-W160 WeakPolarHBondContact OE1-CH2 3.43Å; E143-W160 WeakPolarHBondContact OE2-CH2 3.41Å; E143-W160 VanDerWaalsContact OE2-CZ3 3.29Å; E143-W160 WeakPolarHBondContact OE2-CZ3 3.2Å
144K50.4Low68.3Low180 Ų18043.7 Ų43.778%0.78324%0.235SC*.SBendtrans48.814.2162.2-92.7-166.6177.6-174.80119.5D142D142-K144 HydrophobicContact CB-CG 4.44Å; D142-K144 PolarHBondContact O-N 3.44Å; D142-K144 VanDerWaalsContact O-N 3.1Å; D142-K144 WeakPolarHBondContact OD1-CA 3.41Å; D142-K144 PolarHBondContact OD1-N 3.14Å; D142-K144 VanDerWaalsContact OD2-CG 3.23Å; D142-K144 WeakPolarHBondContact OD2-CG 3.41Å
145A37.9Very low68.2Low62 Ų6240 Ų4051%0.51222%0.217SC..SBendtrans-16642.3160.500000111.4E143 E309E143-A145 PolarHBondContact O-N 3.07Å; A145-E309 VanDerWaalsContact C-OE1 3.28Å
146L38.8Very low68.1Low49 Ų4936.7 Ų36.726%0.25720%0.196SC..  trans-148.292.2-179.4-47.8172.6000112.5E143 S148 Y156 W160 E309E143-L146 HydrophobicContact CB-CD1 4.44Å; E143-L146 WeakPolarHBondContact OE2-CD1 3.31Å; L146-S148 PolarHBondContact O-N 2.9Å; L146-Y156 HydrophobicContact CD1-CE1 4.45Å; L146-W160 HydrophobicContact CD1-CH2 4.28Å; L146-E309 WeakPolarHBondContact CA-OE1 3.34Å; L146-E309 VanDerWaalsContact CA-OE2 3.31Å; L146-E309 WeakPolarHBondContact CA-OE2 3.42Å; L146-E309 PolarHBondContact N-OE1 3.17Å
147T36.9Very low67.8Low27 Ų2739.3 Ų39.317%0.16621%0.213CC..  trans-58.4120.4160.449.80000109.4C152 R154 E309 A364T147-C152 VanDerWaalsContact C-SG 3.55Å; T147-C152 PolarHBondContact O-SG 2.73Å; T147-R154 VanDerWaalsContact O-CD 3.3Å; T147-R154 WeakPolarHBondContact O-CD 3.27Å; T147-E309 PolarHBondContact N-OE1 3.29Å; T147-E309 VanDerWaalsContact N-OE1 3.11Å; T147-A364 HydrophobicContact CG2-CB 4.42Å
148S40.3Very low67.6Low0 Ų042.6 Ų42.60%023%0.23CC..  trans-135.2159.8-178110.20000117.1D119 L146 Y156D119-S148 PolarHBondContact OD1-OG 3.12Å; D119-S148 VanDerWaalsContact OD2-CA 3.29Å; D119-S148 WeakPolarHBondContact OD2-CA 3.28Å; D119-S148 WeakPolarHBondContact OD2-CB 3.19Å; D119-S148 PolarHBondContact OD2-N 3.28Å; D119-S148 VanDerWaalsContact OD2-N 3.13Å; D119-S148 PolarHBondContact OD2-OG 3.4Å; L146-S148 PolarHBondContact O-N 2.9Å; S148-Y156 WeakPolarHBondContact CB-OH 3.49Å; S148-Y156 WeakPolarHBondContact OG-CE2 3.22Å; S148-Y156 PolarHBondContact OG-OH 2.82Å
149T55.9Low67.1Low27 Ų2747.1 Ų47.117%0.16625%0.247CC..THydrogen-bonded Turntrans36.7131.7158.480.90000119.8F151 R154 Y156 N357T149-F151 PolarHBondContact O-N 2.89Å; T149-R154 WeakPolarHBondContact CG2-O 3.36Å; T149-Y156 HydrophobicContact CG2-CD2 3.59Å; T149-Y156 HydrophobicContact CG2-CE2 3.74Å; T149-Y156 HydrophobicContact CG2-CG 4.44Å; T149-N357 PolarHBondContact O-ND2 3.48Å
150N55.9Low66.7Low12 Ų1249.1 Ų49.16%0.06425%0.254CS..THydrogen-bonded Turntrans57.2-34.2-161.1-76.4-26.1000116.6A176 N357 R393N150-A176 WeakPolarHBondContact OD1-CB 3.2Å; N150-N357 WeakPolarHBondContact CB-OD1 3.4Å; N150-R393 WeakPolarHBondContact O-CD 3.44Å; N150-R393 PolarHBondContact O-NH1 2.89Å
151F71.4Confident66.3Low1 Ų148.1 Ų48.10%0.00424%0.244CC..SBendtrans-72.8-69.2173.9-171.6-91000110.4T149 Y307 A323 F355 N357 A360 C361 A364 A391T149-F151 PolarHBondContact O-N 2.89Å; F151-Y307 HydrophobicContact CE1-CD2 4.03Å; F151-Y307 AromaticContact CE1-CG 3.98Å; F151-Y307 HydrophobicContact CE1-CG 3.98Å; F151-Y307 HydrophobicContact CZ-CD2 4.35Å; F151-A323 HydrophobicContact CD1-CB 4.07Å; F151-A323 HydrophobicContact CE1-CB 3.93Å; F151-A323 WeakPolarHBondContact O-CB 3.3Å; F151-F355 AromaticContact CD2-CD2 3.36Å; F151-F355 HydrophobicContact CD2-CD2 3.36Å; F151-F355 AromaticContact CD2-CE2 3.74Å; F151-F355 HydrophobicContact CD2-CE2 3.74Å; F151-F355 HydrophobicContact CD2-CG 4.47Å; F151-F355 AromaticContact CE2-CD2 3.64Å; F151-F355 HydrophobicContact CE2-CD2 3.64Å; F151-F355 AromaticContact CE2-CE2 3.56Å; F151-F355 HydrophobicContact CE2-CE2 3.56Å; F151-F355 HydrophobicContact CG-CD2 4.08Å; F151-F355 HydrophobicContact CG-CE2 4.42Å; F151-F355 HydrophobicContact CZ-CE2 4.14Å; F151-N357 HydrophobicContact CB-CB 4.23Å; F151-A360 HydrophobicContact CB-CB 3.77Å; F151-A360 HydrophobicContact CD2-CB 4.22Å; F151-A360 HydrophobicContact CG-CB 3.98Å; F151-C361 HydrophobicContact CE2-CB 4.02Å; F151-A364 HydrophobicContact CD1-CB 4.5Å; F151-A364 HydrophobicContact CE1-CB 3.67Å; F151-A364 HydrophobicContact CZ-CB 3.88Å; F151-A391 HydrophobicContact CE2-CB 4.26Å; F151-A391 HydrophobicContact CZ-CB 3.81Å
152C78Confident66Low1 Ų151.1 Ų51.11%0.00727%0.266CS..SBendtrans-103.2-4.8-175.563.50000115.3T147 Y307 Q318 A323T147-C152 VanDerWaalsContact C-SG 3.55Å; T147-C152 PolarHBondContact O-SG 2.73Å; C152-Y307 WeakPolarHBondContact CB-O 3.43Å; C152-Q318 PolarHBondContact O-NE2 3.06Å; C152-A323 HydrophobicContact CB-CB 4.44Å
153G80.1Confident65.8Low8 Ų853.8 Ų53.88%0.08228%0.28CS..  trans85.53.3178.600000117.2Q318 G319G153-Q318 PolarHBondContact O-NE2 2.81Å; G153-G319 PolarHBondContact O-N 3.44Å
154R83.2Confident66Low42 Ų4250.9 Ų50.916%0.15827%0.273CS..BIsolated β-bridgetrans-55153.7174.2-168.8177.6-169139.38.9111.4T147 T149 E309 E317T147-R154 VanDerWaalsContact O-CD 3.3Å; T147-R154 WeakPolarHBondContact O-CD 3.27Å; T149-R154 WeakPolarHBondContact CG2-O 3.36Å; R154-E309 IonicContact CZ-OE2 2.7Å; R154-E309 IonicContact NH1-OE2 3.98Å; R154-E309 PolarHBondContact NH1-OE2 3.27Å; R154-E317 CarbonylContact C-O 3.38Å; R154-E317 WeakPolarHBondContact CA-O 3.35Å; R154-E317 WeakPolarHBondContact CG-O 3.46Å
155R82Confident66.4Low25 Ų2545.5 Ų45.59%0.09426%0.256CS..  trans-115133.2171.9-65.4177.3178.6-174.8-2.9110.2L177 T180 P315 L316 E317R155-L177 HydrophobicContact CG-CD1 4.2Å; R155-T180 PolarHBondContact NH1-O 3.02Å; R155-T180 PolarHBondContact NH2-O 3.35Å; R155-T180 PolarHBondContact NH2-OG1 3.37Å; R155-P315 VanDerWaalsContact CZ-O 3.28Å; R155-P315 PolarHBondContact NH1-O 2.82Å; R155-L316 WeakPolarHBondContact CB-O 3.4Å; R155-E317 PolarHBondContact N-O 3.49Å
156Y80.4Confident67.6Low45 Ų4552.5 Ų52.518%0.17628%0.278CS..  trans-83147.1172.3-71.5-62.4000112L117 D119 L146 S148 T149 L158 W160L117-Y156 HydrophobicContact CD1-CD2 3.93Å; L117-Y156 HydrophobicContact CD1-CE1 4.17Å; L117-Y156 HydrophobicContact CD1-CE2 3.32Å; L117-Y156 VanDerWaalsContact CD1-CZ 3.45Å; D119-Y156 PolarHBondContact OD1-OH 2.85Å; D119-Y156 PolarHBondContact OD2-OH 2.92Å; L146-Y156 HydrophobicContact CD1-CE1 4.45Å; S148-Y156 WeakPolarHBondContact CB-OH 3.49Å; S148-Y156 WeakPolarHBondContact OG-CE2 3.22Å; S148-Y156 PolarHBondContact OG-OH 2.82Å; T149-Y156 HydrophobicContact CG2-CD2 3.59Å; T149-Y156 HydrophobicContact CG2-CE2 3.74Å; T149-Y156 HydrophobicContact CG2-CG 4.44Å; Y156-L158 PolarHBondContact O-N 3.1Å; Y156-W160 HydrophobicContact CD1-CE3 4.09Å; Y156-W160 AromaticContact CD1-CH2 3.36Å; Y156-W160 HydrophobicContact CD1-CH2 3.36Å; Y156-W160 HydrophobicContact CD1-CZ2 4.4Å; Y156-W160 AromaticContact CD1-CZ3 3.21Å; Y156-W160 HydrophobicContact CD1-CZ3 3.21Å; Y156-W160 AromaticContact CE1-CH2 3.68Å; Y156-W160 HydrophobicContact CE1-CH2 3.68Å; Y156-W160 AromaticContact CE1-CZ3 3.56Å; Y156-W160 HydrophobicContact CE1-CZ3 3.56Å; Y156-W160 HydrophobicContact CG-CE3 4.34Å; Y156-W160 HydrophobicContact CG-CH2 4.35Å; Y156-W160 AromaticContact CG-CZ3 3.85Å; Y156-W160 HydrophobicContact CG-CZ3 3.85Å
157P80.6Confident69.1Low56 Ų5660.4 Ų60.436%0.36431%0.305SS..  trans-61.5119.2174.9-20.832.6000111.2K159 W160P157-K159 HydrophobicContact CB-CD 4.33Å; P157-K159 HydrophobicContact CB-CG 3.7Å; P157-K159 PolarHBondContact O-N 3.03Å; P157-W160 HydrophobicContact CB-CG 4.48Å; P157-W160 HydrophobicContact CG-CZ2 4.11Å; P157-W160 WeakPolarHBondContact O-CB 3.47Å; P157-W160 PolarHBondContact O-N 2.86Å
158L79.9Confident71.3Confident69 Ų6963.5 Ų63.536%0.36131%0.313SS..G310 helixtrans-56.1-24.9176.4-73.4175.7000113.4Y156 W160 C161 L172 L177 F183Y156-L158 PolarHBondContact O-N 3.1Å; L158-W160 PolarHBondContact O-N 2.84Å; L158-W160 VanDerWaalsContact O-N 3.09Å; L158-C161 WeakPolarHBondContact O-CB 3.3Å; L158-C161 PolarHBondContact O-N 3.29Å; L158-L172 HydrophobicContact CD2-CD1 4.32Å; L158-L172 HydrophobicContact CD2-CD2 3.81Å; L158-L177 HydrophobicContact CD2-CD2 3.83Å; L158-F183 HydrophobicContact CD1-CB 3.61Å; L158-F183 HydrophobicContact CD1-CG 4.17Å
159K79.5Confident73.7Confident136 Ų13667.8 Ų67.859%0.59133%0.33SS*.G310 helixtrans-56.3-24.2174.264.5176.9180-179.70113P157 C161 S162 L163P157-K159 HydrophobicContact CB-CD 4.33Å; P157-K159 HydrophobicContact CB-CG 3.7Å; P157-K159 PolarHBondContact O-N 3.03Å; K159-C161 PolarHBondContact O-N 3.41Å; K159-S162 WeakPolarHBondContact O-CA 3.38Å; K159-S162 PolarHBondContact O-N 2.92Å; K159-S162 PolarHBondContact O-OG 3.42Å; K159-L163 WeakPolarHBondContact O-CG 3.3Å; K159-L163 PolarHBondContact O-N 3.37Å
160W78.6Confident75.4Confident71 Ų7167.5 Ų67.527%0.26933%0.328SS..G310 helixtrans-61.8-28.8177-68.24.3000112.8L117 E143 L146 Y156 P157 L158 S162 L163L117-W160 HydrophobicContact CD1-CZ3 4.39Å; E143-W160 VanDerWaalsContact CD-CH2 3.47Å; E143-W160 WeakPolarHBondContact OE1-CH2 3.43Å; E143-W160 WeakPolarHBondContact OE2-CH2 3.41Å; E143-W160 VanDerWaalsContact OE2-CZ3 3.29Å; E143-W160 WeakPolarHBondContact OE2-CZ3 3.2Å; L146-W160 HydrophobicContact CD1-CH2 4.28Å; Y156-W160 HydrophobicContact CD1-CE3 4.09Å; Y156-W160 AromaticContact CD1-CH2 3.36Å; Y156-W160 HydrophobicContact CD1-CH2 3.36Å; Y156-W160 HydrophobicContact CD1-CZ2 4.4Å; Y156-W160 AromaticContact CD1-CZ3 3.21Å; Y156-W160 HydrophobicContact CD1-CZ3 3.21Å; Y156-W160 AromaticContact CE1-CH2 3.68Å; Y156-W160 HydrophobicContact CE1-CH2 3.68Å; Y156-W160 AromaticContact CE1-CZ3 3.56Å; Y156-W160 HydrophobicContact CE1-CZ3 3.56Å; Y156-W160 HydrophobicContact CG-CE3 4.34Å; Y156-W160 HydrophobicContact CG-CH2 4.35Å; Y156-W160 AromaticContact CG-CZ3 3.85Å; Y156-W160 HydrophobicContact CG-CZ3 3.85Å; P157-W160 HydrophobicContact CB-CG 4.48Å; P157-W160 HydrophobicContact CG-CZ2 4.11Å; P157-W160 WeakPolarHBondContact O-CB 3.47Å; P157-W160 PolarHBondContact O-N 2.86Å; L158-W160 PolarHBondContact O-N 2.84Å; L158-W160 VanDerWaalsContact O-N 3.09Å; W160-S162 PolarHBondContact O-N 2.78Å; W160-S162 VanDerWaalsContact O-N 3.11Å; W160-L163 VanDerWaalsContact CD1-CD1 3.5Å; W160-L163 HydrophobicContact CG-CD1 4.3Å; W160-L163 PolarHBondContact O-N 3.25Å
161C75.9Confident77.1Confident29 Ų2969.2 Ų69.220%0.19634%0.341CS..G310 helixtrans-63.8-15.6172.8-57.20000112.9L158 K159 T170 P190L158-C161 WeakPolarHBondContact O-CB 3.3Å; L158-C161 PolarHBondContact O-N 3.29Å; K159-C161 PolarHBondContact O-N 3.41Å; C161-T170 WeakPolarHBondContact O-CG2 3.43Å; C161-P190 HydrophobicContact CB-CB 4.19Å; C161-P190 HydrophobicContact CB-CG 3.75Å
162S72.6Confident78.1Confident85 Ų8570.4 Ų70.459%0.59435%0.347SS*.G310 helixtrans-110.9-3.2177.7640000114.5K159 W160 G164K159-S162 WeakPolarHBondContact O-CA 3.38Å; K159-S162 PolarHBondContact O-N 2.92Å; K159-S162 PolarHBondContact O-OG 3.42Å; W160-S162 PolarHBondContact O-N 2.78Å; W160-S162 VanDerWaalsContact O-N 3.11Å; S162-G164 VanDerWaalsContact C-N 3.35Å
163L66.2Low78.8Confident118 Ų11872 Ų7262%0.61836%0.356SS*.  trans-84.3-8.9-178.1-72.3177.5000113.6K159 W160K159-L163 WeakPolarHBondContact O-CG 3.3Å; K159-L163 PolarHBondContact O-N 3.37Å; W160-L163 VanDerWaalsContact CD1-CD1 3.5Å; W160-L163 HydrophobicContact CG-CD1 4.3Å; W160-L163 PolarHBondContact O-N 3.25Å
164G61.3Low79.4Confident26 Ų2671.7 Ų71.727%0.26835%0.352SS..SBendtrans-62.5146.5177.600000111.8S162S162-G164 VanDerWaalsContact C-N 3.35Å
165P59.7Low79.8Confident66 Ų6669.9 Ų69.943%0.42935%0.346SS..  trans-43.8150.2161.3-25.430.7000110.7V107 R167 W168V107-P165 HydrophobicContact CG1-CG 4.15Å; P165-R167 PolarHBondContact O-N 2.69Å; P165-W168 VanDerWaalsContact CD-CE2 3.45Å; P165-W168 HydrophobicContact CG-CG 4.47Å; P165-W168 HydrophobicContact CG-CZ2 4.29Å; P165-W168 PolarHBondContact O-N 3.09Å
166Q62.5Low80.1Confident209 Ų20970.5 Ų70.598%0.97736%0.357SS*.THydrogen-bonded Turntrans-53.2-6.9-177-73.3-162.1-1.200115.9
167R70.1Confident80.6Confident215 Ų21569.4 Ų69.481%0.81135%0.354SS*.THydrogen-bonded Turntrans-102.31179.1-65.2-174.3175.8-176.1-0.5114.9P165P165-R167 PolarHBondContact O-N 2.69Å
168W83.5Confident81.2Confident93 Ų9366.8 Ų66.835%0.35234%0.337SS..  trans-87.6142.3-177-75.136.7000111.4V107 I115 P165V107-W168 HydrophobicContact CB-CZ2 4.08Å; V107-W168 HydrophobicContact CG1-CZ2 3.6Å; V107-W168 HydrophobicContact CG2-CH2 3.96Å; V107-W168 HydrophobicContact CG2-CZ2 3.28Å; I115-W168 HydrophobicContact CD1-CH2 3.43Å; I115-W168 VanDerWaalsContact CD1-CH2 3.43Å; I115-W168 HydrophobicContact CD1-CZ2 3.97Å; I115-W168 HydrophobicContact CD1-CZ3 4Å; P165-W168 VanDerWaalsContact CD-CE2 3.45Å; P165-W168 HydrophobicContact CG-CG 4.47Å; P165-W168 HydrophobicContact CG-CZ2 4.29Å; P165-W168 PolarHBondContact O-N 3.09Å
169Y90.3Very high81.9Confident90 Ų9064.5 Ų64.535%0.35333%0.326SS..  trans-104.4141.2164.4-62.1-86.1000108.8F86 D191 H218 V219F86-Y169 AromaticContact CE2-CD2 3.95Å; F86-Y169 HydrophobicContact CE2-CD2 3.95Å; F86-Y169 AromaticContact CE2-CG 3.91Å; F86-Y169 HydrophobicContact CE2-CG 3.91Å; F86-Y169 AromaticContact CZ-CD2 3.69Å; F86-Y169 HydrophobicContact CZ-CD2 3.69Å; F86-Y169 HydrophobicContact CZ-CE2 4.42Å; F86-Y169 HydrophobicContact CZ-CG 4.09Å; Y169-D191 VanDerWaalsContact CA-OD2 3.26Å; Y169-D191 WeakPolarHBondContact CA-OD2 3.47Å; Y169-D191 HydrophobicContact CD1-CB 4.17Å; Y169-H218 PolarHBondContact OH-NE2 3.03Å; Y169-V219 HydrophobicContact CD1-CG1 4.47Å; Y169-V219 HydrophobicContact CD1-CG2 4.2Å; Y169-V219 HydrophobicContact CE1-CG1 3.67Å; Y169-V219 HydrophobicContact CE1-CG2 4.15Å; Y169-V219 HydrophobicContact CE2-CG1 3.86Å; Y169-V219 WeakPolarHBondContact OH-CG1 3.48Å
170T91Very high82.5Confident20 Ų2058.7 Ų58.712%0.12330%0.302CS..  trans-120.9132-173.754.50000110.8C161 P190 D191 F192C161-T170 WeakPolarHBondContact O-CG2 3.43Å; T170-P190 VanDerWaalsContact OG1-CA 3.28Å; T170-P190 WeakPolarHBondContact OG1-CA 3.4Å; T170-D191 PolarHBondContact N-OD2 3.3Å; T170-D191 WeakPolarHBondContact O-CB 3.44Å; T170-D191 PolarHBondContact O-N 3.48Å; T170-D191 PolarHBondContact OG1-N 3.06Å; T170-D191 PolarHBondContact OG1-OD2 3.08Å; T170-D191 VanDerWaalsContact OG1-OD2 3.05Å; T170-F192 PolarHBondContact O-N 3.04Å
171C93Very high83.1Confident49 Ų4956.4 Ų56.433%0.33130%0.297SS..EExtended strand (participates in β ladder)trans-117.4112176.5-170.80000109F192C171-F192 CarbonylContact C-O 3.5Å; C171-F192 WeakPolarHBondContact CA-O 3.35Å; C171-F192 HydrophobicContact CB-CB 4.18Å; C171-F192 HydrophobicContact CB-CD2 4.19Å
172L92.5Very high83.8Confident25 Ų2559 Ų5913%0.13131%0.306CS..EExtended strand (participates in β ladder)trans-93.2112.7178.7176.463.3000110.2L158 A174 P190 F192 V193 T194L158-L172 HydrophobicContact CD2-CD1 4.32Å; L158-L172 HydrophobicContact CD2-CD2 3.81Å; L172-A174 HydrophobicContact CD2-CB 4.35Å; L172-A174 HydrophobicContact CG-CB 4.21Å; L172-A174 PolarHBondContact O-N 2.96Å; L172-A174 VanDerWaalsContact O-N 3.17Å; L172-P190 HydrophobicContact CB-CB 4.06Å; L172-P190 HydrophobicContact CB-CG 4.08Å; L172-P190 HydrophobicContact CD2-CG 4.07Å; L172-F192 PolarHBondContact N-O 3.3Å; L172-V193 HydrophobicContact CB-CG1 4.43Å; L172-V193 HydrophobicContact CB-CG2 4.35Å; L172-V193 HydrophobicContact CD2-CG1 4.17Å; L172-V193 HydrophobicContact CD2-CG2 4.48Å; L172-V193 HydrophobicContact CG-CG1 4.41Å; L172-V193 WeakPolarHBondContact O-CA 3.22Å; L172-T194 PolarHBondContact O-N 3.09Å; L172-T194 PolarHBondContact O-OG1 2.96Å
173D91.8Very high84.7Confident36 Ų3655.5 Ų55.519%0.19328%0.28CS..EExtended strand (participates in β ladder)trans-75.297162.9-176.5-5.3000109.7C75 V124 A175 T194C75-D173 PolarHBondContact SG-OD1 2.77Å; V124-D173 HydrophobicContact CG2-CB 4.21Å; D173-A175 WeakPolarHBondContact OD1-CB 3.44Å; D173-A175 PolarHBondContact OD1-N 3.34Å; D173-T194 WeakPolarHBondContact CA-OG1 3.42Å
174A93.1Very high86Confident0 Ų054.2 Ų54.20%028%0.281CS..  trans-94.110-179.500000112.9L172 A176 L177 A178 F183 V193 T194 I195L172-A174 HydrophobicContact CD2-CB 4.35Å; L172-A174 HydrophobicContact CG-CB 4.21Å; L172-A174 PolarHBondContact O-N 2.96Å; L172-A174 VanDerWaalsContact O-N 3.17Å; A174-A176 VanDerWaalsContact C-N 3.27Å; A174-A176 PolarHBondContact O-N 3.01Å; A174-L177 HydrophobicContact CB-CB 4.45Å; A174-L177 PolarHBondContact O-N 3.15Å; A174-L177 VanDerWaalsContact O-N 3.11Å; A174-A178 VanDerWaalsContact O-CB 3.31Å; A174-A178 WeakPolarHBondContact O-CB 3.31Å; A174-A178 PolarHBondContact O-N 3.32Å; A174-F183 HydrophobicContact CB-CE1 4.45Å; A174-F183 HydrophobicContact CB-CZ 3.95Å; A174-V193 HydrophobicContact CB-CG1 3.77Å; A174-T194 WeakPolarHBondContact CA-O 3.2Å; A174-T194 PolarHBondContact N-O 2.75Å; A174-I195 HydrophobicContact CB-CG2 3.81Å
175A91.6Very high87.4Confident4 Ų453.3 Ų53.33%0.03327%0.27CS..THydrogen-bonded Turntrans-62.6-33-176.400000113.3C75 D173 K199C75-A175 HydrophobicContact CB-CB 3.78Å; D173-A175 WeakPolarHBondContact OD1-CB 3.44Å; D173-A175 PolarHBondContact OD1-N 3.34Å; A175-K199 HydrophobicContact CB-CD 4.12Å; A175-K199 VanDerWaalsContact O-CD 3.25Å; A175-K199 WeakPolarHBondContact O-CD 3.48Å
176A88.7Confident88.6Confident39 Ų3952.1 Ų52.132%0.32227%0.269SS..THydrogen-bonded Turntrans-87.8-23.5175.200000113.1N150 A174N150-A176 WeakPolarHBondContact OD1-CB 3.2Å; A174-A176 VanDerWaalsContact C-N 3.27Å; A174-A176 PolarHBondContact O-N 3.01Å
177L90.7Very high89.7Confident21 Ų2144.1 Ų44.111%0.1124%0.239CC..THydrogen-bonded Turntrans-87.7-50.8-171.6-174.868.8000111.7R155 L158 A174 P179 T180 C181 F183R155-L177 HydrophobicContact CG-CD1 4.2Å; L158-L177 HydrophobicContact CD2-CD2 3.83Å; A174-L177 HydrophobicContact CB-CB 4.45Å; A174-L177 PolarHBondContact O-N 3.15Å; A174-L177 VanDerWaalsContact O-N 3.11Å; L177-P179 VanDerWaalsContact C-N 3.33Å; L177-T180 PolarHBondContact O-N 3.14Å; L177-T180 VanDerWaalsContact O-N 3.16Å; L177-C181 HydrophobicContact CD1-CB 3.48Å; L177-C181 VanDerWaalsContact CD1-CB 3.48Å; L177-C181 HydrophobicContact CG-CB 3.81Å; L177-C181 VanDerWaalsContact O-CB 3.25Å; L177-C181 WeakPolarHBondContact O-CB 3.34Å; L177-C181 PolarHBondContact O-N 3.49Å; L177-F183 HydrophobicContact CD2-CD1 3.96Å; L177-F183 HydrophobicContact CD2-CE1 3.91Å; L177-F183 HydrophobicContact CG-CD1 4.25Å; L177-F183 HydrophobicContact CG-CE1 4.14Å
178A93Very high90.3Very high2 Ų239.9 Ų39.92%0.01723%0.233CC..THydrogen-bonded Turntrans-55.1-33.9-174.400000115.4F60 A174 T180 F183 I195 M200F60-A178 HydrophobicContact CE1-CB 4.22Å; F60-A178 HydrophobicContact CZ-CB 4.31Å; A174-A178 VanDerWaalsContact O-CB 3.31Å; A174-A178 WeakPolarHBondContact O-CB 3.31Å; A174-A178 PolarHBondContact O-N 3.32Å; A178-T180 PolarHBondContact O-N 3.16Å; A178-F183 HydrophobicContact CB-CE1 4.33Å; A178-I195 HydrophobicContact CB-CG2 4.4Å; A178-M200 HydrophobicContact CB-CE 4.47Å; A178-M200 HydrophobicContact CB-CG 4.19Å; A178-M200 HydrophobicContact CB-SD 3.98Å
179P93.5Very high90.6Very high20 Ų2036.2 Ų36.213%0.1322%0.224CC..THydrogen-bonded Turntrans-65-23.7179.3-26.137.3000115L177 K199 M200 I274L177-P179 VanDerWaalsContact C-N 3.33Å; P179-K199 VanDerWaalsContact CB-O 3.27Å; P179-K199 WeakPolarHBondContact CB-O 3.3Å; P179-K199 HydrophobicContact CG-CB 3.88Å; P179-K199 WeakPolarHBondContact CG-O 3.49Å; P179-M200 HydrophobicContact CG-CG 4.1Å; P179-I274 WeakPolarHBondContact O-CD1 3.34Å
180T93.3Very high90.7Very high15 Ų1532.4 Ų32.49%0.09221%0.21CC..THydrogen-bonded Turntrans-138.42.8-16956.70000113.7R155 L177 A178 G278 V281R155-T180 PolarHBondContact NH1-O 3.02Å; R155-T180 PolarHBondContact NH2-O 3.35Å; R155-T180 PolarHBondContact NH2-OG1 3.37Å; L177-T180 PolarHBondContact O-N 3.14Å; L177-T180 VanDerWaalsContact O-N 3.16Å; A178-T180 PolarHBondContact O-N 3.16Å; T180-G278 WeakPolarHBondContact O-CA 3.45Å; T180-V281 HydrophobicContact CG2-CB 4.09Å; T180-V281 HydrophobicContact CG2-CG1 3.73Å; T180-V281 HydrophobicContact CG2-CG2 4.21Å
181C91.6Very high90.8Very high22 Ų2232.2 Ų32.215%0.14921%0.209CC..  trans-132.2118.2-179.5-170.90000109.9L177 F183L177-C181 HydrophobicContact CD1-CB 3.48Å; L177-C181 VanDerWaalsContact CD1-CB 3.48Å; L177-C181 HydrophobicContact CG-CB 3.81Å; L177-C181 VanDerWaalsContact O-CB 3.25Å; L177-C181 WeakPolarHBondContact O-CB 3.34Å; L177-C181 PolarHBondContact O-N 3.49Å; C181-F183 WeakPolarHBondContact O-CD1 3.26Å
182Q90.9Very high90.9Very high85 Ų8530 Ų3040%0.39719%0.193SC..  trans-80.6123.3172.2-177.566.75400107.9H59 I274 A275H59-Q182 PolarHBondContact O-NE2 3.41Å; Q182-I274 HydrophobicContact CB-CB 4.42Å; Q182-I274 HydrophobicContact CB-CG2 4.17Å; Q182-A275 HydrophobicContact CB-CB 4.15Å
183F91.1Very high91.1Very high11 Ų1128.9 Ų28.95%0.04819%0.187CC..  trans-138.8153.9175.161.9-88.6000110.9F60 L158 A174 L177 A178 C181 L185F60-F183 HydrophobicContact CD1-CD2 4.23Å; F60-F183 HydrophobicContact CD1-CE1 4.12Å; F60-F183 AromaticContact CD1-CE2 3.57Å; F60-F183 HydrophobicContact CD1-CE2 3.57Å; F60-F183 AromaticContact CD1-CZ 3.51Å; F60-F183 HydrophobicContact CD1-CZ 3.51Å; F60-F183 AromaticContact CE1-CE1 3.83Å; F60-F183 HydrophobicContact CE1-CE1 3.83Å; F60-F183 AromaticContact CE1-CE2 3.96Å; F60-F183 HydrophobicContact CE1-CE2 3.96Å; F60-F183 AromaticContact CE1-CZ 3.38Å; F60-F183 HydrophobicContact CE1-CZ 3.38Å; L158-F183 HydrophobicContact CD1-CB 3.61Å; L158-F183 HydrophobicContact CD1-CG 4.17Å; A174-F183 HydrophobicContact CB-CE1 4.45Å; A174-F183 HydrophobicContact CB-CZ 3.95Å; L177-F183 HydrophobicContact CD2-CD1 3.96Å; L177-F183 HydrophobicContact CD2-CE1 3.91Å; L177-F183 HydrophobicContact CG-CD1 4.25Å; L177-F183 HydrophobicContact CG-CE1 4.14Å; A178-F183 HydrophobicContact CB-CE1 4.33Å; C181-F183 WeakPolarHBondContact O-CD1 3.26Å; F183-L185 HydrophobicContact CD2-CD2 4.04Å; F183-L185 HydrophobicContact CD2-CG 4.33Å; F183-L185 HydrophobicContact CE2-CD2 3.95Å; F183-L185 HydrophobicContact CE2-CG 4.2Å
184S92.4Very high91.3Very high91 Ų9127.1 Ų27.164%0.63618%0.178SC*.  trans-114.7137-179.4-58.60000110.8F60F60-S184 CarbonylContact O-C 3.5Å; F60-S184 VanDerWaalsContact O-CA 3.31Å; F60-S184 WeakPolarHBondContact O-CA 3.36Å
185L91.9Very high91.4Very high6 Ų627.2 Ų27.23%0.03118%0.178CC..  trans-101.3102.9-179.7-61.7175.4000110.4F60 T62 Y67 F183 V193 L211F60-L185 HydrophobicContact CB-CD1 3.86Å; F60-L185 HydrophobicContact CB-CG 4.16Å; F60-L185 HydrophobicContact CG-CD1 4.39Å; F60-L185 PolarHBondContact O-N 2.73Å; T62-L185 WeakPolarHBondContact CB-O 3.38Å; T62-L185 HydrophobicContact CG2-CB 4.25Å; T62-L185 PolarHBondContact OG1-O 3.41Å; Y67-L185 HydrophobicContact CD2-CB 4.25Å; Y67-L185 HydrophobicContact CE1-CD1 4.32Å; Y67-L185 HydrophobicContact CE2-CB 3.75Å; F183-L185 HydrophobicContact CD2-CD2 4.04Å; F183-L185 HydrophobicContact CD2-CG 4.33Å; F183-L185 HydrophobicContact CE2-CD2 3.95Å; F183-L185 HydrophobicContact CE2-CG 4.2Å; L185-V193 HydrophobicContact CD1-CG2 4.06Å; L185-V193 HydrophobicContact CD2-CG2 4Å; L185-L211 HydrophobicContact CD1-CD2 3.74Å
186G84.2Confident91.6Very high41 Ų4127.3 Ų27.342%0.42318%0.179SC..  trans-79.6175.7172.900000113.3Y67 N188 G189Y67-G186 WeakPolarHBondContact CE2-O 3.48Å; G186-N188 PolarHBondContact O-N 2.87Å; G186-G189 PolarHBondContact O-N 3.4Å
187A85.1Confident92.1Very high41 Ų4125.4 Ų25.434%0.33916%0.163SC..THydrogen-bonded Turntrans-58.6-14.9175.200000114.7K215A187-K215 VanDerWaalsContact O-CE 3.23Å; A187-K215 WeakPolarHBondContact O-CE 3.3Å; A187-K215 PolarHBondContact O-NZ 3.11Å
188N83.9Confident92.3Very high126 Ų12626.8 Ų26.867%0.67417%0.167SC*.THydrogen-bonded Turntrans-118.623.1176.7-62.7-39.7000112.7G186 K215G186-N188 PolarHBondContact O-N 2.87Å; N188-K215 PolarHBondContact OD1-NZ 3.06Å
189G88.6Confident92.4Very high17 Ų1727.7 Ų27.718%0.17517%0.171CC..SBendtrans-71.6-171.7171.300000113Y67 G186 L213Y67-G189 WeakPolarHBondContact OH-CA 3.49Å; G186-G189 PolarHBondContact O-N 3.4Å; G189-L213 WeakPolarHBondContact O-CD2 3.45Å
190P91.9Very high92.5Very high10 Ų1026.9 Ų26.97%0.06517%0.166CC..  trans-59.7143.3178.3-15.426.2000112.8Y67 C161 T170 L172 F192 V193Y67-P190 WeakPolarHBondContact CE1-O 3.45Å; Y67-P190 PolarHBondContact OH-O 2.99Å; C161-P190 HydrophobicContact CB-CB 4.19Å; C161-P190 HydrophobicContact CB-CG 3.75Å; T170-P190 VanDerWaalsContact OG1-CA 3.28Å; T170-P190 WeakPolarHBondContact OG1-CA 3.4Å; L172-P190 HydrophobicContact CB-CB 4.06Å; L172-P190 HydrophobicContact CB-CG 4.08Å; L172-P190 HydrophobicContact CD2-CG 4.07Å; P190-F192 VanDerWaalsContact C-N 3.26Å; P190-F192 PolarHBondContact O-N 3.04Å; P190-V193 HydrophobicContact CB-CG2 4.03Å; P190-V193 HydrophobicContact CG-CG2 4.15Å
191D93.5Very high92.6Very high16 Ų1626.2 Ų26.29%0.08616%0.161CC..SBendtrans-64.7-35-177.7-57.1-87.2000112.7Y169 T170 L213 S216Y169-D191 VanDerWaalsContact CA-OD2 3.26Å; Y169-D191 WeakPolarHBondContact CA-OD2 3.47Å; Y169-D191 HydrophobicContact CD1-CB 4.17Å; T170-D191 PolarHBondContact N-OD2 3.3Å; T170-D191 WeakPolarHBondContact O-CB 3.44Å; T170-D191 PolarHBondContact O-N 3.48Å; T170-D191 PolarHBondContact OG1-N 3.06Å; T170-D191 PolarHBondContact OG1-OD2 3.08Å; T170-D191 VanDerWaalsContact OG1-OD2 3.05Å; D191-L213 WeakPolarHBondContact O-CB 3.27Å; D191-L213 PolarHBondContact O-N 2.82Å; D191-S216 VanDerWaalsContact OD1-CB 3.22Å; D191-S216 WeakPolarHBondContact OD1-CB 3.44Å; D191-S216 PolarHBondContact OD1-OG 2.79Å
192F95.8Very high92.8Very high3 Ų325.4 Ų25.41%0.01316%0.157CC..EExtended strand (participates in β ladder)trans-133.7133.1179-45.8-62.8000109.7V82 F86 T170 C171 L172 P190 L210 L211 V212 V219 L220V82-F192 HydrophobicContact CG1-CD2 3.83Å; V82-F192 HydrophobicContact CG1-CE2 4.12Å; V82-F192 HydrophobicContact CG1-CG 4.21Å; V82-F192 HydrophobicContact CG2-CB 4.01Å; V82-F192 HydrophobicContact CG2-CD1 4.26Å; V82-F192 HydrophobicContact CG2-CD2 4.41Å; V82-F192 HydrophobicContact CG2-CG 3.95Å; F86-F192 AromaticContact CD2-CE2 3.99Å; F86-F192 HydrophobicContact CD2-CE2 3.99Å; F86-F192 HydrophobicContact CD2-CZ 4.15Å; F86-F192 HydrophobicContact CE2-CE2 4.01Å; F86-F192 HydrophobicContact CE2-CZ 4.29Å; T170-F192 PolarHBondContact O-N 3.04Å; C171-F192 CarbonylContact C-O 3.5Å; C171-F192 WeakPolarHBondContact CA-O 3.35Å; C171-F192 HydrophobicContact CB-CB 4.18Å; C171-F192 HydrophobicContact CB-CD2 4.19Å; L172-F192 PolarHBondContact N-O 3.3Å; P190-F192 VanDerWaalsContact C-N 3.26Å; P190-F192 PolarHBondContact O-N 3.04Å; F192-L210 HydrophobicContact CB-CD1 4Å; F192-L211 CarbonylContact C-O 3.57Å; F192-L211 WeakPolarHBondContact CA-O 3.19Å; F192-V212 HydrophobicContact CD1-CG1 4.06Å; F192-V212 HydrophobicContact CD1-CG2 4.32Å; F192-V212 HydrophobicContact CE1-CG1 3.95Å; F192-V219 HydrophobicContact CZ-CG2 3.69Å; F192-L220 HydrophobicContact CD1-CD1 4.01Å; F192-L220 HydrophobicContact CE1-CD1 3.52Å; F192-L220 HydrophobicContact CE1-CD2 3.78Å; F192-L220 HydrophobicContact CE1-CG 3.61Å; F192-L220 HydrophobicContact CZ-CD1 4.36Å; F192-L220 HydrophobicContact CZ-CD2 3.77Å; F192-L220 HydrophobicContact CZ-CG 3.98Å
193V96Very high93Very high0 Ų023.3 Ų23.30%015%0.146CC..EExtended strand (participates in β ladder)trans-127.1123.7173.2-173.30000109Y67 L172 A174 L185 P190 I195 L210 L211Y67-V193 HydrophobicContact CE1-CG2 4.48Å; L172-V193 HydrophobicContact CB-CG1 4.43Å; L172-V193 HydrophobicContact CB-CG2 4.35Å; L172-V193 HydrophobicContact CD2-CG1 4.17Å; L172-V193 HydrophobicContact CD2-CG2 4.48Å; L172-V193 HydrophobicContact CG-CG1 4.41Å; L172-V193 WeakPolarHBondContact O-CA 3.22Å; A174-V193 HydrophobicContact CB-CG1 3.77Å; L185-V193 HydrophobicContact CD1-CG2 4.06Å; L185-V193 HydrophobicContact CD2-CG2 4Å; P190-V193 HydrophobicContact CB-CG2 4.03Å; P190-V193 HydrophobicContact CG-CG2 4.15Å; V193-I195 HydrophobicContact CG1-CG2 4.39Å; V193-L210 WeakPolarHBondContact O-CA 3.47Å; V193-L211 HydrophobicContact CB-CB 4.17Å; V193-L211 PolarHBondContact N-O 3.11Å; V193-L211 PolarHBondContact O-N 2.91Å
194T96.7Very high93.3Very high0 Ų022.9 Ų22.90%015%0.145CC..EExtended strand (participates in β ladder)trans-110.4131.6-176.161.90000110.9C75 A78 L79 L172 D173 A174 L210C75-T194 VanDerWaalsContact SG-CB 3.53Å; C75-T194 PolarHBondContact SG-OG1 3.32Å; A78-T194 HydrophobicContact CB-CG2 3.58Å; L79-T194 HydrophobicContact CD2-CG2 3.86Å; L79-T194 HydrophobicContact CG-CG2 4Å; L172-T194 PolarHBondContact O-N 3.09Å; L172-T194 PolarHBondContact O-OG1 2.96Å; D173-T194 WeakPolarHBondContact CA-OG1 3.42Å; A174-T194 WeakPolarHBondContact CA-O 3.2Å; A174-T194 PolarHBondContact N-O 2.75Å; T194-L210 HydrophobicContact CG2-CD1 3.88Å
195I95.3Very high93.4Very high1 Ų122.9 Ų22.91%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-137.1154.4-175.260.8175.2000112.9F60 C75 A174 A178 V193 F197 G208 A209 L211F60-I195 HydrophobicContact CE2-CD1 3.57Å; F60-I195 HydrophobicContact CZ-CD1 3.81Å; F60-I195 HydrophobicContact CZ-CG2 4.07Å; C75-I195 PolarHBondContact N-O 3.26Å; A174-I195 HydrophobicContact CB-CG2 3.81Å; A178-I195 HydrophobicContact CB-CG2 4.4Å; V193-I195 HydrophobicContact CG1-CG2 4.39Å; I195-F197 HydrophobicContact CD1-CD1 4.25Å; I195-F197 HydrophobicContact CD1-CE1 3.44Å; I195-F197 VanDerWaalsContact CD1-CE1 3.44Å; I195-F197 HydrophobicContact CD1-CE2 4.4Å; I195-F197 HydrophobicContact CD1-CZ 3.53Å; I195-F197 HydrophobicContact CG1-CE1 4.36Å; I195-F197 HydrophobicContact CG1-CZ 4.23Å; I195-G208 VanDerWaalsContact O-CA 3.23Å; I195-G208 WeakPolarHBondContact O-CA 3.24Å; I195-A209 HydrophobicContact CD1-CB 3.96Å; I195-A209 HydrophobicContact CG1-CB 3.79Å; I195-A209 WeakPolarHBondContact CG1-O 3.41Å; I195-A209 PolarHBondContact N-O 3.08Å; I195-A209 PolarHBondContact O-N 3.2Å; I195-A209 VanDerWaalsContact O-N 3.12Å; I195-L211 HydrophobicContact CD1-CD1 3.9Å; I195-L211 HydrophobicContact CG1-CD1 4.23Å
196S96.1Very high93.5Very high6 Ų624.6 Ų24.64%0.04216%0.16CC..EExtended strand (participates in β ladder)trans-122.9116.5170.3-71.20000109.3C75 Y198 K199C75-S196 VanDerWaalsContact CB-OG 3.32Å; C75-S196 WeakPolarHBondContact CB-OG 3.33Å; C75-S196 PolarHBondContact N-OG 3.44Å; S196-Y198 PolarHBondContact O-N 3.39Å; S196-K199 PolarHBondContact O-N 3.35Å
197F97.5Very high94.1Very high0 Ų022.9 Ų22.90%014%0.141CC..THydrogen-bonded Turntrans-70.9-33.8-174.4-66.4-65.9000113.5I56 I195 K199 M200 F201 I207 G208 A209 L261 F265I56-F197 HydrophobicContact CD1-CE1 4.25Å; I56-F197 HydrophobicContact CD1-CE2 4.39Å; I56-F197 HydrophobicContact CD1-CZ 3.6Å; I56-F197 HydrophobicContact CG1-CE1 4.15Å; I56-F197 HydrophobicContact CG1-CZ 3.99Å; I195-F197 HydrophobicContact CD1-CD1 4.25Å; I195-F197 HydrophobicContact CD1-CE1 3.44Å; I195-F197 VanDerWaalsContact CD1-CE1 3.44Å; I195-F197 HydrophobicContact CD1-CE2 4.4Å; I195-F197 HydrophobicContact CD1-CZ 3.53Å; I195-F197 HydrophobicContact CG1-CE1 4.36Å; I195-F197 HydrophobicContact CG1-CZ 4.23Å; F197-K199 PolarHBondContact O-N 2.89Å; F197-K199 VanDerWaalsContact O-N 3.11Å; F197-M200 HydrophobicContact CD1-SD 4.13Å; F197-M200 WeakPolarHBondContact O-CA 3.41Å; F197-M200 WeakPolarHBondContact O-CB 3.37Å; F197-M200 PolarHBondContact O-N 3.35Å; F197-F201 HydrophobicContact CB-CE1 4.5Å; F197-F201 HydrophobicContact CB-CE2 3.87Å; F197-F201 HydrophobicContact CB-CZ 3.67Å; F197-F201 HydrophobicContact CD1-CE1 4.43Å; F197-F201 HydrophobicContact CD1-CZ 4.12Å; F197-F201 HydrophobicContact CG-CZ 4.22Å; F197-F201 PolarHBondContact O-N 2.89Å; F197-I207 HydrophobicContact CD2-CG1 4.29Å; F197-I207 HydrophobicContact CD2-CG2 4.24Å; F197-I207 PolarHBondContact N-O 3.48Å; F197-G208 VanDerWaalsContact CE2-C 3.46Å; F197-A209 HydrophobicContact CE2-CB 3.96Å; F197-A209 HydrophobicContact CZ-CB 3.89Å; F197-L261 HydrophobicContact CB-CD2 3.42Å; F197-L261 VanDerWaalsContact CB-CD2 3.42Å; F197-L261 HydrophobicContact CD1-CD2 4.08Å; F197-L261 HydrophobicContact CD2-CD1 3.71Å; F197-L261 HydrophobicContact CD2-CD2 3.46Å; F197-L261 VanDerWaalsContact CD2-CD2 3.46Å; F197-L261 HydrophobicContact CD2-CG 4.25Å; F197-L261 HydrophobicContact CE2-CD1 3.57Å; F197-L261 HydrophobicContact CE2-CD2 4.2Å; F197-L261 HydrophobicContact CG-CD1 4.24Å; F197-L261 HydrophobicContact CG-CD2 3.38Å; F197-L261 HydrophobicContact CG-CG 4.45Å; F197-L261 HydrophobicContact CZ-CD1 4.02Å; F197-F265 HydrophobicContact CD1-CE2 4.32Å; F197-F265 HydrophobicContact CD1-CZ 4.18Å; F197-F265 HydrophobicContact CE1-CE2 4.1Å; F197-F265 AromaticContact CE1-CZ 3.85Å; F197-F265 HydrophobicContact CE1-CZ 3.85Å
198Y96.1Very high94.6Very high49 Ų4920.9 Ų20.919%0.19213%0.125CC..Hα-helixtrans-61.5-20.2175.682.5-92.7000113A11 T12 T13 S196 G202 P204 T205A11-Y198 VanDerWaalsContact O-CE2 3.23Å; A11-Y198 WeakPolarHBondContact O-CE2 3.26Å; A11-Y198 PolarHBondContact O-OH 2.76Å; T12-Y198 WeakPolarHBondContact OG1-CD2 3.41Å; T13-Y198 WeakPolarHBondContact CG2-O 3.17Å; S196-Y198 PolarHBondContact O-N 3.39Å; Y198-G202 WeakPolarHBondContact O-CA 3.5Å; Y198-G202 PolarHBondContact O-N 3.38Å; Y198-P204 WeakPolarHBondContact CB-O 3.23Å; Y198-T205 HydrophobicContact CD2-CG2 4.42Å; Y198-T205 HydrophobicContact CG-CG2 4.21Å
199K94.6Very high95.3Very high21 Ų2114.9 Ų14.99%0.0919%0.093CC..Hα-helixtrans-78.4-23.1172.1-65.7-166.6175.4-161.80112.7A10 A11 T13 A175 P179 S196 F197A10-K199 PolarHBondContact O-NZ 2.69Å; A11-K199 WeakPolarHBondContact O-CE 3.35Å; T13-K199 WeakPolarHBondContact CG2-O 3.43Å; A175-K199 HydrophobicContact CB-CD 4.12Å; A175-K199 VanDerWaalsContact O-CD 3.25Å; A175-K199 WeakPolarHBondContact O-CD 3.48Å; P179-K199 VanDerWaalsContact CB-O 3.27Å; P179-K199 WeakPolarHBondContact CB-O 3.3Å; P179-K199 HydrophobicContact CG-CB 3.88Å; P179-K199 WeakPolarHBondContact CG-O 3.49Å; S196-K199 PolarHBondContact O-N 3.35Å; F197-K199 PolarHBondContact O-N 2.89Å; F197-K199 VanDerWaalsContact O-N 3.11Å
200M95.2Very high95.7Very high4 Ų414.1 Ų14.12%0.028%0.084CC..Hα-helixtrans-83.6-40.8179.4-61.5174.464.700112.1H59 A178 P179 F197 F265 I268 I274H59-M200 VanDerWaalsContact NE2-CE 3.29Å; H59-M200 WeakPolarHBondContact NE2-CE 3.31Å; A178-M200 HydrophobicContact CB-CE 4.47Å; A178-M200 HydrophobicContact CB-CG 4.19Å; A178-M200 HydrophobicContact CB-SD 3.98Å; P179-M200 HydrophobicContact CG-CG 4.1Å; F197-M200 HydrophobicContact CD1-SD 4.13Å; F197-M200 WeakPolarHBondContact O-CA 3.41Å; F197-M200 WeakPolarHBondContact O-CB 3.37Å; F197-M200 PolarHBondContact O-N 3.35Å; M200-F265 HydrophobicContact CE-CE1 4.15Å; M200-I268 HydrophobicContact CB-CD1 4.2Å; M200-I268 HydrophobicContact CE-CD1 4.39Å; M200-I274 HydrophobicContact CE-CD1 4.38Å
201F95.6Very high96Very high0 Ų013.6 Ų13.60%08%0.081CC..Hα-helixtrans-147.214.6-173.146.1-118.9000114.7Q19 F197 F203 L261 G264 F265 I268 W398Q19-F201 PolarHBondContact OE1-O 3.17Å; Q19-F201 VanDerWaalsContact OE1-O 3.1Å; F197-F201 HydrophobicContact CB-CE1 4.5Å; F197-F201 HydrophobicContact CB-CE2 3.87Å; F197-F201 HydrophobicContact CB-CZ 3.67Å; F197-F201 HydrophobicContact CD1-CE1 4.43Å; F197-F201 HydrophobicContact CD1-CZ 4.12Å; F197-F201 HydrophobicContact CG-CZ 4.22Å; F197-F201 PolarHBondContact O-N 2.89Å; F201-F203 WeakPolarHBondContact CD2-O 3.43Å; F201-F203 WeakPolarHBondContact CE2-O 3.48Å; F201-F203 PolarHBondContact O-N 2.97Å; F201-L261 HydrophobicContact CE2-CD2 3.99Å; F201-L261 HydrophobicContact CZ-CB 4.44Å; F201-L261 HydrophobicContact CZ-CD2 3.7Å; F201-G264 VanDerWaalsContact CD1-C 3.46Å; F201-F265 HydrophobicContact CE1-CD1 4.44Å; F201-F265 HydrophobicContact CE1-CD2 4.11Å; F201-F265 HydrophobicContact CE1-CE2 4.2Å; F201-F265 HydrophobicContact CE1-CG 4.24Å; F201-F265 HydrophobicContact CE1-CZ 4.4Å; F201-F265 HydrophobicContact CZ-CD2 4.46Å; F201-F265 HydrophobicContact CZ-CE2 4.46Å; F201-I268 HydrophobicContact CB-CD1 4.2Å; F201-I268 HydrophobicContact CB-CG1 4.33Å; F201-I268 HydrophobicContact CD1-CD1 3.59Å; F201-I268 HydrophobicContact CD1-CG1 4.31Å; F201-I268 HydrophobicContact CG-CD1 4.39Å; F201-W398 HydrophobicContact CB-CH2 4.45Å; F201-W398 HydrophobicContact CB-CZ2 4.02Å
202G95.7Very high96.1Very high5 Ų512.9 Ų12.95%0.0528%0.077CC..SBendtrans82.3-42.316700000116.1T13 Y198T13-G202 WeakPolarHBondContact O-CA 3.49Å; Y198-G202 WeakPolarHBondContact O-CA 3.5Å; Y198-G202 PolarHBondContact O-N 3.38Å
203F96.3Very high96.1Very high42 Ų4212.8 Ų12.818%0.1848%0.077CC..  trans-126.9139.5179.4173.3-93.5000112Y15 Q19 I20 F23 F201 A260Y15-F203 HydrophobicContact CD1-CB 3.98Å; Y15-F203 HydrophobicContact CG-CB 3.93Å; Q19-F203 HydrophobicContact CG-CD1 4.39Å; Q19-F203 PolarHBondContact NE2-O 3.36Å; I20-F203 HydrophobicContact CD1-CB 3.96Å; I20-F203 HydrophobicContact CD1-CD1 3.75Å; I20-F203 HydrophobicContact CD1-CD2 3.69Å; I20-F203 HydrophobicContact CD1-CE1 4.15Å; I20-F203 HydrophobicContact CD1-CE2 4.12Å; I20-F203 HydrophobicContact CD1-CG 3.51Å; I20-F203 HydrophobicContact CD1-CZ 4.34Å; F23-F203 HydrophobicContact CB-CE1 4.19Å; F23-F203 AromaticContact CD1-CE1 3.56Å; F23-F203 HydrophobicContact CD1-CE1 3.56Å; F23-F203 AromaticContact CD1-CZ 3.47Å; F23-F203 HydrophobicContact CD1-CZ 3.47Å; F23-F203 VanDerWaalsContact CD1-CZ 3.47Å; F23-F203 HydrophobicContact CE1-CE1 4.1Å; F23-F203 AromaticContact CE1-CZ 3.65Å; F23-F203 HydrophobicContact CE1-CZ 3.65Å; F23-F203 AromaticContact CG-CE1 3.93Å; F23-F203 HydrophobicContact CG-CE1 3.93Å; F23-F203 HydrophobicContact CG-CZ 4.29Å; F201-F203 WeakPolarHBondContact CD2-O 3.43Å; F201-F203 WeakPolarHBondContact CE2-O 3.48Å; F201-F203 PolarHBondContact O-N 2.97Å; F203-A260 HydrophobicContact CD1-CB 4.42Å; F203-A260 HydrophobicContact CE1-CB 3.63Å; F203-A260 HydrophobicContact CZ-CB 4.15Å
204P96.5Very high95.9Very high1 Ų118.1 Ų18.11%0.00610%0.097CC..  cis-87.5153.5-4.234.7-35.8000113Y198 I207 L257 A260 L261Y198-P204 WeakPolarHBondContact CB-O 3.23Å; P204-I207 HydrophobicContact CG-CG2 3.61Å; P204-L257 HydrophobicContact CB-CD2 3.92Å; P204-L257 HydrophobicContact CG-CB 4.13Å; P204-L257 HydrophobicContact CG-CD2 4.38Å; P204-A260 HydrophobicContact CB-CB 4.37Å; P204-A260 HydrophobicContact CG-CB 3.77Å; P204-L261 HydrophobicContact CG-CD2 4.36Å
205T94.4Very high95.7Very high92 Ų9223.6 Ų23.656%0.56412%0.121SC*.SBendtrans-75.2167.3160.858.10000110.3Y198 I207Y198-T205 HydrophobicContact CD2-CG2 4.42Å; Y198-T205 HydrophobicContact CG-CG2 4.21Å; T205-I207 VanDerWaalsContact C-N 3.29Å; T205-I207 PolarHBondContact O-N 3.17Å
206G94.5Very high95.5Very high42 Ų4223.8 Ų23.843%0.43312%0.122SC..SBendtrans76.511.8177.800000115S73S73-G206 WeakPolarHBondContact CA-O 3.27Å; S73-G206 CarbonylContact O-C 3.45Å; S73-G206 WeakPolarHBondContact O-CA 3.34Å
207I96.4Very high95.3Very high4 Ų424.2 Ų24.22%0.02113%0.126CC..  trans-138.6139.1170.3-168.7166.1000112.3F71 T72 S73 F197 P204 T205 L257 V258 L261F71-I207 HydrophobicContact CD1-CD1 4.06Å; F71-I207 HydrophobicContact CD1-CG1 4.4Å; T72-I207 CarbonylContact O-C 3.59Å; T72-I207 WeakPolarHBondContact O-CA 3.44Å; S73-I207 CarbonylContact O-C 3.59Å; S73-I207 WeakPolarHBondContact O-CA 3.29Å; S73-I207 PolarHBondContact O-N 3.19Å; F197-I207 HydrophobicContact CD2-CG1 4.29Å; F197-I207 HydrophobicContact CD2-CG2 4.24Å; F197-I207 PolarHBondContact N-O 3.48Å; P204-I207 HydrophobicContact CG-CG2 3.61Å; T205-I207 VanDerWaalsContact C-N 3.29Å; T205-I207 PolarHBondContact O-N 3.17Å; I207-L257 HydrophobicContact CB-CB 4.15Å; I207-L257 HydrophobicContact CD1-CB 4.01Å; I207-L257 HydrophobicContact CG2-CB 4.18Å; I207-V258 HydrophobicContact CD1-CB 4.13Å; I207-V258 HydrophobicContact CD1-CG2 3.51Å; I207-L261 HydrophobicContact CD1-CD1 3.91Å; I207-L261 HydrophobicContact CD1-CG 4.35Å; I207-L261 HydrophobicContact CG1-CD1 4.44Å; I207-L261 HydrophobicContact CG2-CD2 3.76Å; I207-L261 HydrophobicContact CG2-CG 4.41Å
208G97Very high94.9Very high0 Ų029.8 Ų29.80%015%0.152CC..EExtended strand (participates in β ladder)trans-144.7-167.6173.100000109.9T72 I195 F197T72-G208 PolarHBondContact N-O 3.4Å; T72-G208 PolarHBondContact O-N 3.12Å; I195-G208 VanDerWaalsContact O-CA 3.23Å; I195-G208 WeakPolarHBondContact O-CA 3.24Å; F197-G208 VanDerWaalsContact CE2-C 3.46Å
209A97.2Very high94.6Very high0 Ų028 Ų280%015%0.146CC..EExtended strand (participates in β ladder)trans-147.9153.4172.600000112.6V69 V70 T72 I195 F197 L211V69-A209 HydrophobicContact CG1-CB 4.01Å; V70-A209 CarbonylContact O-C 3.6Å; V70-A209 VanDerWaalsContact O-CA 3.27Å; V70-A209 WeakPolarHBondContact O-CA 3.42Å; T72-A209 PolarHBondContact OG1-N 2.73Å; I195-A209 HydrophobicContact CD1-CB 3.96Å; I195-A209 HydrophobicContact CG1-CB 3.79Å; I195-A209 WeakPolarHBondContact CG1-O 3.41Å; I195-A209 PolarHBondContact N-O 3.08Å; I195-A209 PolarHBondContact O-N 3.2Å; I195-A209 VanDerWaalsContact O-N 3.12Å; F197-A209 HydrophobicContact CE2-CB 3.96Å; F197-A209 HydrophobicContact CZ-CB 3.89Å; A209-L211 HydrophobicContact CB-CD1 4.34Å
210L97.8Very high94.5Very high0 Ų027 Ų270%014%0.142CC..EExtended strand (participates in β ladder)trans-108.4113.2162.2172.662.1000107.6V70 T72 A78 I81 V82 F192 V193 T194 V212V70-L210 HydrophobicContact CB-CB 4.21Å; V70-L210 PolarHBondContact N-O 3.11Å; V70-L210 PolarHBondContact O-N 3.41Å; T72-L210 HydrophobicContact CG2-CB 4.19Å; A78-L210 HydrophobicContact CB-CB 3.78Å; I81-L210 HydrophobicContact CB-CD2 4.32Å; I81-L210 HydrophobicContact CG2-CD2 3.81Å; V82-L210 HydrophobicContact CG2-CD1 3.66Å; V82-L210 HydrophobicContact CG2-CD2 3.93Å; V82-L210 HydrophobicContact CG2-CG 4.48Å; F192-L210 HydrophobicContact CB-CD1 4Å; V193-L210 WeakPolarHBondContact O-CA 3.47Å; T194-L210 HydrophobicContact CG2-CD1 3.88Å; L210-V212 HydrophobicContact CD1-CG2 4.26Å; L210-V212 HydrophobicContact CD2-CG2 3.83Å; L210-V212 HydrophobicContact CG-CG2 3.63Å
211L97.4Very high94Very high0 Ų031.8 Ų31.80%016%0.164CC..EExtended strand (participates in β ladder)trans-87.8125168-63.880000108.1I56 F60 Y67 A68 V69 L185 F192 V193 I195 A209I56-L211 HydrophobicContact CG2-CD2 4.47Å; F60-L211 HydrophobicContact CB-CD2 4.47Å; F60-L211 HydrophobicContact CD2-CD2 3.87Å; F60-L211 HydrophobicContact CE2-CD1 4.49Å; F60-L211 HydrophobicContact CG-CD2 4.37Å; Y67-L211 HydrophobicContact CD1-CB 3.89Å; A68-L211 CarbonylContact O-C 3.4Å; A68-L211 VanDerWaalsContact O-CA 3.28Å; A68-L211 WeakPolarHBondContact O-CA 3.38Å; V69-L211 HydrophobicContact CG2-CG 4.41Å; L185-L211 HydrophobicContact CD1-CD2 3.74Å; F192-L211 CarbonylContact C-O 3.57Å; F192-L211 WeakPolarHBondContact CA-O 3.19Å; V193-L211 HydrophobicContact CB-CB 4.17Å; V193-L211 PolarHBondContact N-O 3.11Å; V193-L211 PolarHBondContact O-N 2.91Å; I195-L211 HydrophobicContact CD1-CD1 3.9Å; I195-L211 HydrophobicContact CG1-CD1 4.23Å; A209-L211 HydrophobicContact CB-CD1 4.34Å
212V96.7Very high93.1Very high0 Ų034.5 Ų34.50%018%0.175CC..EExtended strand (participates in β ladder)trans-115122.8-179.5-175.50000109.7Y67 A68 F192 L210 R214 A217 L220 F244Y67-V212 CarbonylContact C-O 3.6Å; Y67-V212 WeakPolarHBondContact CA-O 3.26Å; Y67-V212 VanDerWaalsContact CD1-C 3.46Å; A68-V212 PolarHBondContact N-O 3.44Å; A68-V212 PolarHBondContact O-N 3.09Å; F192-V212 HydrophobicContact CD1-CG1 4.06Å; F192-V212 HydrophobicContact CD1-CG2 4.32Å; F192-V212 HydrophobicContact CE1-CG1 3.95Å; L210-V212 HydrophobicContact CD1-CG2 4.26Å; L210-V212 HydrophobicContact CD2-CG2 3.83Å; L210-V212 HydrophobicContact CG-CG2 3.63Å; V212-R214 PolarHBondContact O-N 2.61Å; V212-A217 HydrophobicContact CG1-CB 4.37Å; V212-L220 HydrophobicContact CG1-CD1 4.11Å; V212-L220 HydrophobicContact CG2-CD1 4.02Å; V212-F244 HydrophobicContact CB-CE1 3.99Å; V212-F244 HydrophobicContact CB-CZ 3.8Å; V212-F244 HydrophobicContact CG1-CE1 4.33Å; V212-F244 HydrophobicContact CG1-CE2 4.4Å; V212-F244 HydrophobicContact CG1-CZ 3.68Å; V212-F244 HydrophobicContact CG2-CE1 4.07Å; V212-F244 HydrophobicContact CG2-CZ 3.86Å
213L94.7Very high91.6Very high2 Ų239.7 Ų39.71%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-64.6121.3172.5-175.460.4000109.1Y67 G189 D191 K215 S216 A217Y67-L213 HydrophobicContact CD1-CB 4.21Å; Y67-L213 HydrophobicContact CD2-CD1 4.06Å; Y67-L213 HydrophobicContact CE1-CB 3.72Å; Y67-L213 HydrophobicContact CE1-CD1 4.24Å; Y67-L213 HydrophobicContact CE2-CD1 3.49Å; Y67-L213 VanDerWaalsContact CE2-CD1 3.49Å; G189-L213 WeakPolarHBondContact O-CD2 3.45Å; D191-L213 WeakPolarHBondContact O-CB 3.27Å; D191-L213 PolarHBondContact O-N 2.82Å; L213-K215 VanDerWaalsContact C-N 3.31Å; L213-K215 HydrophobicContact CD1-CG 4.43Å; L213-K215 HydrophobicContact CD2-CD 4.26Å; L213-K215 HydrophobicContact CD2-CG 3.94Å; L213-K215 HydrophobicContact CG-CG 3.76Å; L213-K215 PolarHBondContact O-N 3.47Å; L213-S216 CarbonylContact O-C 3.56Å; L213-S216 WeakPolarHBondContact O-CA 3.31Å; L213-S216 PolarHBondContact O-N 3.22Å; L213-A217 PolarHBondContact O-N 2.68Å; L213-A217 VanDerWaalsContact O-N 3.14Å
214R92.9Very high90.2Very high111 Ų11144.6 Ų44.642%0.41923%0.226SC..G310 helixtrans-59.6-38-169.8-74.9-157.8-175.3-96.21.9113.7S64 E65 H66 V212 S216 A217S64-R214 VanDerWaalsContact O-CZ 3.22Å; S64-R214 PolarHBondContact O-NE 3.08Å; S64-R214 PolarHBondContact O-NH2 3.37Å; E65-R214 VanDerWaalsContact O-CD 3.27Å; E65-R214 WeakPolarHBondContact O-CD 3.45Å; H66-R214 PolarHBondContact O-N 3.37Å; V212-R214 PolarHBondContact O-N 2.61Å; R214-S216 PolarHBondContact O-N 3.14Å; R214-S216 VanDerWaalsContact O-N 3.16Å; R214-A217 WeakPolarHBondContact O-CB 3.32Å; R214-A217 PolarHBondContact O-N 3.29Å
215K91.4Very high88.5Confident115 Ų11548.6 Ų48.650%0.524%0.243SC..G310 helixtrans-61.7-22.7176.260169.4-178.8-178.10112.6A187 N188 L213 H218A187-K215 VanDerWaalsContact O-CE 3.23Å; A187-K215 WeakPolarHBondContact O-CE 3.3Å; A187-K215 PolarHBondContact O-NZ 3.11Å; N188-K215 PolarHBondContact OD1-NZ 3.06Å; L213-K215 VanDerWaalsContact C-N 3.31Å; L213-K215 HydrophobicContact CD1-CG 4.43Å; L213-K215 HydrophobicContact CD2-CD 4.26Å; L213-K215 HydrophobicContact CD2-CG 3.94Å; L213-K215 HydrophobicContact CG-CG 3.76Å; L213-K215 PolarHBondContact O-N 3.47Å; K215-H218 PolarHBondContact O-CE1 3.48Å; K215-H218 PolarHBondContact O-ND1 2.82Å
216S92.1Very high86.7Confident5 Ų545.1 Ų45.14%0.03523%0.226CC..G310 helixtrans-102-6.5-177.8-51.40000112.8D191 L213 R214 H218 V219D191-S216 VanDerWaalsContact OD1-CB 3.22Å; D191-S216 WeakPolarHBondContact OD1-CB 3.44Å; D191-S216 PolarHBondContact OD1-OG 2.79Å; L213-S216 CarbonylContact O-C 3.56Å; L213-S216 WeakPolarHBondContact O-CA 3.31Å; L213-S216 PolarHBondContact O-N 3.22Å; R214-S216 PolarHBondContact O-N 3.14Å; R214-S216 VanDerWaalsContact O-N 3.16Å; S216-H218 PolarHBondContact O-N 3.43Å; S216-V219 VanDerWaalsContact O-CG2 3.32Å; S216-V219 WeakPolarHBondContact O-CG2 3.42Å; S216-V219 PolarHBondContact O-N 2.92Å; S216-V219 VanDerWaalsContact O-N 3.14Å
217A91.1Very high84.8Confident15 Ų1545 Ų4512%0.12423%0.225CC..G310 helixtrans-52.5-25.8178.400000115V212 L213 R214 V219 L220 F244V212-A217 HydrophobicContact CG1-CB 4.37Å; L213-A217 PolarHBondContact O-N 2.68Å; L213-A217 VanDerWaalsContact O-N 3.14Å; R214-A217 WeakPolarHBondContact O-CB 3.32Å; R214-A217 PolarHBondContact O-N 3.29Å; A217-V219 VanDerWaalsContact C-N 3.28Å; A217-V219 PolarHBondContact O-N 2.95Å; A217-L220 PolarHBondContact O-N 3.41Å; A217-F244 HydrophobicContact CB-CD2 3.62Å; A217-F244 HydrophobicContact CB-CE2 3.33Å; A217-F244 HydrophobicContact CB-CZ 4.1Å
218H88.9Confident82.6Confident117 Ų11747.2 Ų47.254%0.54225%0.249SC..G310 helixtrans-70.4-19.4-177.365.7-85.2000114Y169 K215 S216Y169-H218 PolarHBondContact OH-NE2 3.03Å; K215-H218 PolarHBondContact O-CE1 3.48Å; K215-H218 PolarHBondContact O-ND1 2.82Å; S216-H218 PolarHBondContact O-N 3.43Å
219V90.6Very high80.3Confident12 Ų1249.5 Ų49.57%0.07326%0.262CS..G310 helixtrans-85.5-13.1177.4-51.70000113.3F86 N87 Y169 F192 S216 A217 Q221F86-V219 CarbonylContact C-O 3.55Å; F86-V219 HydrophobicContact CD2-CB 4.4Å; F86-V219 HydrophobicContact CD2-CG2 3.69Å; F86-V219 HydrophobicContact CE2-CB 4.14Å; F86-V219 HydrophobicContact CE2-CG2 3.47Å; F86-V219 VanDerWaalsContact CE2-CG2 3.47Å; F86-V219 HydrophobicContact CZ-CG2 4.43Å; N87-V219 PolarHBondContact N-O 3.13Å; Y169-V219 HydrophobicContact CD1-CG1 4.47Å; Y169-V219 HydrophobicContact CD1-CG2 4.2Å; Y169-V219 HydrophobicContact CE1-CG1 3.67Å; Y169-V219 HydrophobicContact CE1-CG2 4.15Å; Y169-V219 HydrophobicContact CE2-CG1 3.86Å; Y169-V219 WeakPolarHBondContact OH-CG1 3.48Å; F192-V219 HydrophobicContact CZ-CG2 3.69Å; S216-V219 VanDerWaalsContact O-CG2 3.32Å; S216-V219 WeakPolarHBondContact O-CG2 3.42Å; S216-V219 PolarHBondContact O-N 2.92Å; S216-V219 VanDerWaalsContact O-N 3.14Å; A217-V219 VanDerWaalsContact C-N 3.28Å; A217-V219 PolarHBondContact O-N 2.95Å; V219-Q221 PolarHBondContact O-N 3.47Å
220L91.2Very high77.8Confident1 Ų153 Ų531%0.00529%0.285CS..BIsolated β-bridgetrans-88.499.8172.4-59.7-176.3000109.4S85 F86 F192 V212 A217 F244 F248S85-L220 CarbonylContact O-C 3.54Å; S85-L220 WeakPolarHBondContact O-CA 3.41Å; F86-L220 HydrophobicContact CB-CD2 4.35Å; F86-L220 HydrophobicContact CD2-CD2 4.31Å; F192-L220 HydrophobicContact CD1-CD1 4.01Å; F192-L220 HydrophobicContact CE1-CD1 3.52Å; F192-L220 HydrophobicContact CE1-CD2 3.78Å; F192-L220 HydrophobicContact CE1-CG 3.61Å; F192-L220 HydrophobicContact CZ-CD1 4.36Å; F192-L220 HydrophobicContact CZ-CD2 3.77Å; F192-L220 HydrophobicContact CZ-CG 3.98Å; V212-L220 HydrophobicContact CG1-CD1 4.11Å; V212-L220 HydrophobicContact CG2-CD1 4.02Å; A217-L220 PolarHBondContact O-N 3.41Å; L220-F244 HydrophobicContact CD1-CZ 4.45Å; L220-F248 HydrophobicContact CB-CE1 3.97Å; L220-F248 HydrophobicContact CB-CE2 4.46Å; L220-F248 HydrophobicContact CB-CZ 3.52Å; L220-F248 HydrophobicContact CD1-CZ 4.31Å
221Q84.7Confident75.3Confident104 Ų10463.2 Ų63.249%0.48632%0.324SS..  trans-109.7102.2176.7-60.1-172.44.900109.6S85 V219S85-Q221 CarbonylContact O-C 3.58Å; S85-Q221 PolarHBondContact O-N 2.94Å; V219-Q221 PolarHBondContact O-N 3.47Å
222R77.2Confident72.8Confident56 Ų5669.2 Ų69.221%0.21136%0.356CS..  trans-95.1121.2179.2-162.3169.8174.9-122.2-0.7110.3Y224 R247 F248 D250R222-Y224 VanDerWaalsContact C-N 3.33Å; R222-Y224 PolarHBondContact NH1-O 2.91Å; R222-R247 WeakPolarHBondContact CD-O 3.45Å; R222-R247 PolarHBondContact NH1-O 3.34Å; R222-F248 HydrophobicContact CB-CD1 4.42Å; R222-F248 HydrophobicContact CB-CE1 3.91Å; R222-D250 IonicContact CZ-OD1 2.82Å; R222-D250 IonicContact CZ-OD2 2.61Å; R222-D250 IonicContact NH1-OD1 3.29Å; R222-D250 PolarHBondContact NH1-OD1 2.93Å; R222-D250 IonicContact NH1-OD2 2.68Å; R222-D250 VanDerWaalsContact NH2-CG 3.28Å; R222-D250 IonicContact NH2-OD1 3.35Å; R222-D250 PolarHBondContact NH2-OD1 3.46Å; R222-D250 VanDerWaalsContact NH2-OD1 3.15Å; R222-D250 IonicContact NH2-OD2 2.81Å; R222-D250 PolarHBondContact NH2-OD2 3.44Å
223P65.2Low70.5Confident115 Ų11570.1 Ų70.175%0.74736%0.36SS*.SBendtrans-75.5-24.3-179.128.1-33.2000112.8
224Y66.5Low68.4Low145 Ų14575.5 Ų75.557%0.56939%0.388SS*.  trans-99.7137.2-178.9176.8-92000111.8R222R222-Y224 VanDerWaalsContact C-N 3.33Å; R222-Y224 PolarHBondContact NH1-O 2.91Å
225F61.6Low66.2Low84 Ų8478.6 Ų78.637%0.36841%0.407SS..  trans-140.8134.7172.653.7-89.2000110.7F239F225-F239 HydrophobicContact CE1-CB 3.74Å; F225-F239 HydrophobicContact CE2-CB 4.37Å; F225-F239 HydrophobicContact CZ-CB 3.48Å; F225-F239 VanDerWaalsContact CZ-CB 3.48Å; F225-F239 HydrophobicContact CZ-CD1 4.43Å; F225-F239 AromaticContact CZ-CG 4Å; F225-F239 HydrophobicContact CZ-CG 4Å
226G55Low64.1Low19 Ų1978.5 Ų78.520%0.19641%0.407CS..  trans-144134178.100000113.5G251G226-G251 PolarHBondContact O-N 3.47Å; G226-G251 VanDerWaalsContact O-N 3.11Å
227G54.4Low61.9Low40 Ų4090.2 Ų90.241%0.41245%0.45SS..SBendtrans87.8141.4175.600000115.6T229 K241G227-T229 PolarHBondContact O-N 2.84Å; G227-K241 WeakPolarHBondContact O-CE 3.49Å; G227-K241 PolarHBondContact O-NZ 2.87Å
228G51.7Low59.6Low51 Ų5198 Ų9853%0.52648%0.484SS..  trans70.716.5169.800000117.4P230G228-P230 WeakPolarHBondContact O-CD 3.29Å
229T48.3Very low57.6Low47 Ų4796.4 Ų96.429%0.28848%0.476SS..  trans-76.3119.2-178.2-49.40000111.3G227 E233G227-T229 PolarHBondContact O-N 2.84Å; T229-E233 HydrophobicContact CG2-CB 3.64Å; T229-E233 HydrophobicContact CG2-CG 4.43Å; T229-E233 WeakPolarHBondContact CG2-OE2 3.35Å
230P45Very low55.5Low73 Ų73101.9 Ų101.947%0.47450%0.5SS..  trans-60.7145.1170.8-18.331.2000110.6G228 D232 E233G228-P230 WeakPolarHBondContact O-CD 3.29Å; P230-D232 PolarHBondContact O-N 3.2Å; P230-E233 PolarHBondContact O-N 2.78Å
231R44.7Very low53.5Low215 Ų215102.4 Ų102.481%0.81150%0.502SS*.G310 helixtrans-51.2-33.9-175.6-136.3177.9-171.5-179.11113.2E233 I234R231-E233 PolarHBondContact O-N 2.95Å; R231-I234 WeakPolarHBondContact O-CB 3.37Å; R231-I234 PolarHBondContact O-N 3.1Å; R231-I234 VanDerWaalsContact O-N 3.1Å
232D45.6Very low51.7Low127 Ų127106 Ų10668%0.67951%0.513SS*.G310 helixtrans-67.1-19.5-177.8-56.3-17.9000114.1P230P230-D232 PolarHBondContact O-N 3.2Å
233E48.5Very low51Low19 Ų19110.7 Ų110.79%0.08954%0.535CS..G310 helixtrans-75.4-30.2174.2-74-176.9-170.300111T229 P230 R231 E235 K236 F239 K241T229-E233 HydrophobicContact CG2-CB 3.64Å; T229-E233 HydrophobicContact CG2-CG 4.43Å; T229-E233 WeakPolarHBondContact CG2-OE2 3.35Å; P230-E233 PolarHBondContact O-N 2.78Å; R231-E233 PolarHBondContact O-N 2.95Å; E233-E235 PolarHBondContact O-N 3.16Å; E233-E235 VanDerWaalsContact O-N 3.12Å; E233-K236 PolarHBondContact O-N 2.96Å; E233-F239 WeakPolarHBondContact O-CD1 3.31Å; E233-F239 WeakPolarHBondContact O-CE1 3.5Å; E233-K241 WeakPolarHBondContact OE1-CA 3.48Å; E233-K241 VanDerWaalsContact OE2-CG 3.27Å; E233-K241 WeakPolarHBondContact OE2-CG 3.42Å
234I50.1Low51.3Low114 Ų114106.5 Ų106.559%0.58551%0.505SS*.THydrogen-bonded Turntrans-64.2-18.1-174.6-59.8174.9000113.4R231 F239R231-I234 WeakPolarHBondContact O-CB 3.37Å; R231-I234 PolarHBondContact O-N 3.1Å; R231-I234 VanDerWaalsContact O-N 3.1Å; I234-F239 VanDerWaalsContact C-CE1 3.41Å; I234-F239 VanDerWaalsContact O-CE1 3.23Å; I234-F239 WeakPolarHBondContact O-CE1 3.44Å; I234-F239 WeakPolarHBondContact O-CZ 3.24Å
235E46.9Very low51.6Low177 Ų177101.5 Ų101.583%0.82749%0.488SS*.THydrogen-bonded Turntrans-96.7-8.8-176.8-64.5-174168.200114.9E233E233-E235 PolarHBondContact O-N 3.16Å; E233-E235 VanDerWaalsContact O-N 3.12Å
236K46.1Very low51.8Low113 Ų113100.1 Ų100.149%0.49148%0.484SS..  trans-101.1121.1-173.7-67.9-175.6-176175.50112.9E233 Q238 F239 Y242E233-K236 PolarHBondContact O-N 2.96Å; K236-Q238 CarbonylContact O-C 3.54Å; K236-Q238 PolarHBondContact O-N 3.3Å; K236-F239 VanDerWaalsContact O-CD1 3.32Å; K236-F239 WeakPolarHBondContact O-CD1 3.31Å; K236-F239 WeakPolarHBondContact O-CD2 3.46Å; K236-F239 WeakPolarHBondContact O-CE1 3.26Å; K236-F239 WeakPolarHBondContact O-CE2 3.39Å; K236-F239 VanDerWaalsContact O-CG 3.28Å; K236-F239 WeakPolarHBondContact O-CG 3.48Å; K236-F239 WeakPolarHBondContact O-CZ 3.44Å; K236-Y242 PolarHBondContact NZ-OH 3.01Å
237R46.5Very low52.6Low250 Ų250101.6 Ų101.694%0.94348%0.484SS*.SBendtrans-51.6-16.5178.1-72.4-174.5178.2-178.3-0.3116.2
238Q42.6Very low53.9Low180 Ų18099.9 Ų99.984%0.84147%0.465SS*.SBendtrans-117.498.3168.3-76.9-175.5-18.600109.3K236 Q240K236-Q238 CarbonylContact O-C 3.54Å; K236-Q238 PolarHBondContact O-N 3.3Å; Q238-Q240 PolarHBondContact O-N 3.48Å
239F47.3Very low55.4Low83 Ų8398.1 Ų98.136%0.36444%0.443SS..  trans-90.2100.5-176.3-59-90.1000110.1F225 E233 I234 K236F225-F239 HydrophobicContact CE1-CB 3.74Å; F225-F239 HydrophobicContact CE2-CB 4.37Å; F225-F239 HydrophobicContact CZ-CB 3.48Å; F225-F239 VanDerWaalsContact CZ-CB 3.48Å; F225-F239 HydrophobicContact CZ-CD1 4.43Å; F225-F239 AromaticContact CZ-CG 4Å; F225-F239 HydrophobicContact CZ-CG 4Å; E233-F239 WeakPolarHBondContact O-CD1 3.31Å; E233-F239 WeakPolarHBondContact O-CE1 3.5Å; I234-F239 VanDerWaalsContact C-CE1 3.41Å; I234-F239 VanDerWaalsContact O-CE1 3.23Å; I234-F239 WeakPolarHBondContact O-CE1 3.44Å; I234-F239 WeakPolarHBondContact O-CZ 3.24Å; K236-F239 VanDerWaalsContact O-CD1 3.32Å; K236-F239 WeakPolarHBondContact O-CD1 3.31Å; K236-F239 WeakPolarHBondContact O-CD2 3.46Å; K236-F239 WeakPolarHBondContact O-CE1 3.26Å; K236-F239 WeakPolarHBondContact O-CE2 3.39Å; K236-F239 VanDerWaalsContact O-CG 3.28Å; K236-F239 WeakPolarHBondContact O-CG 3.48Å; K236-F239 WeakPolarHBondContact O-CZ 3.44Å
240Q46.6Very low56.5Low127 Ų12799.6 Ų99.659%0.59345%0.449SS*.  trans-127.9125.4166.8-73-170.8-1.700109.1Q238 Y242Q238-Q240 PolarHBondContact O-N 3.48Å; Q240-Y242 PolarHBondContact O-N 3.43Å
241K48.3Very low58.1Low11 Ų1197.7 Ų97.75%0.04844%0.442CS..  trans-59.6129.5170.4-71.2-174.9-176.8173.30110.1G227 E233 F243 L246 R247G227-K241 WeakPolarHBondContact O-CE 3.49Å; G227-K241 PolarHBondContact O-NZ 2.87Å; E233-K241 WeakPolarHBondContact OE1-CA 3.48Å; E233-K241 VanDerWaalsContact OE2-CG 3.27Å; E233-K241 WeakPolarHBondContact OE2-CG 3.42Å; K241-F243 PolarHBondContact O-N 3.05Å; K241-L246 HydrophobicContact CD-CB 3.46Å; K241-L246 VanDerWaalsContact CD-CB 3.46Å; K241-L246 WeakPolarHBondContact CD-O 3.13Å; K241-L246 PolarHBondContact NZ-O 3.21Å; K241-R247 HydrophobicContact CB-CG 3.83Å
242Y48.5Very low59.9Low180 Ų18090.6 Ų90.671%0.70642%0.423SS*.SBendtrans-62.9-27.3-180-75.2-85.4000113.2K236 Q240K236-Y242 PolarHBondContact NZ-OH 3.01Å; Q240-Y242 PolarHBondContact O-N 3.43Å
243F60.8Low61.9Low154 Ų15485.7 Ų85.768%0.67540%0.397SS*.SBendtrans-95.5112.7177.6-74-82.3000111.6K241 L245 L246K241-F243 PolarHBondContact O-N 3.05Å; F243-L245 PolarHBondContact O-N 3.45Å; F243-L245 VanDerWaalsContact O-N 3.07Å; F243-L246 HydrophobicContact CB-CD1 4.05Å; F243-L246 HydrophobicContact CB-CG 4.25Å; F243-L246 PolarHBondContact O-N 2.93Å; F243-L246 VanDerWaalsContact O-N 3.09Å
244F72.4Confident63.9Low27 Ų2787.5 Ų87.512%0.11842%0.415CS..G310 helixtrans-41.7-47.5-179.3176-91.9000113.7A68 V70 V212 A217 L220 R247 F248A68-F244 HydrophobicContact CB-CD1 3.77Å; A68-F244 HydrophobicContact CB-CE1 3.82Å; V70-F244 HydrophobicContact CG2-CE1 4.02Å; V212-F244 HydrophobicContact CB-CE1 3.99Å; V212-F244 HydrophobicContact CB-CZ 3.8Å; V212-F244 HydrophobicContact CG1-CE1 4.33Å; V212-F244 HydrophobicContact CG1-CE2 4.4Å; V212-F244 HydrophobicContact CG1-CZ 3.68Å; V212-F244 HydrophobicContact CG2-CE1 4.07Å; V212-F244 HydrophobicContact CG2-CZ 3.86Å; A217-F244 HydrophobicContact CB-CD2 3.62Å; A217-F244 HydrophobicContact CB-CE2 3.33Å; A217-F244 HydrophobicContact CB-CZ 4.1Å; L220-F244 HydrophobicContact CD1-CZ 4.45Å; F244-R247 WeakPolarHBondContact O-CB 3.31Å; F244-R247 PolarHBondContact O-N 2.98Å; F244-F248 HydrophobicContact CD1-CD2 4.45Å; F244-F248 AromaticContact CD2-CE2 3.95Å; F244-F248 HydrophobicContact CD2-CE2 3.95Å; F244-F248 HydrophobicContact CE1-CD2 4.03Å; F244-F248 HydrophobicContact CE1-CE2 4.1Å; F244-F248 HydrophobicContact CE2-CD2 4.18Å; F244-F248 AromaticContact CE2-CE2 3.42Å; F244-F248 HydrophobicContact CE2-CE2 3.42Å; F244-F248 VanDerWaalsContact CE2-CE2 3.42Å; F244-F248 HydrophobicContact CE2-CZ 4.22Å; F244-F248 HydrophobicContact CG-CE2 4.44Å; F244-F248 AromaticContact CZ-CD2 3.86Å; F244-F248 HydrophobicContact CZ-CD2 3.86Å; F244-F248 AromaticContact CZ-CE2 3.49Å; F244-F248 HydrophobicContact CZ-CE2 3.49Å; F244-F248 VanDerWaalsContact CZ-CE2 3.49Å; F244-F248 HydrophobicContact CZ-CZ 4.37Å; F244-F248 VanDerWaalsContact O-CD2 3.24Å; F244-F248 WeakPolarHBondContact O-CD2 3.34Å
245L72.6Confident66Low40 Ų4084.4 Ų84.421%0.20940%0.396CS..G310 helixtrans-63-44.2-175.5-65.6174.9000112.9A68 V69 V70 F243 R247 F248 E249A68-L245 HydrophobicContact CB-CD2 3.97Å; V69-L245 WeakPolarHBondContact O-CD2 3.08Å; V70-L245 HydrophobicContact CG2-CD2 3.86Å; F243-L245 PolarHBondContact O-N 3.45Å; F243-L245 VanDerWaalsContact O-N 3.07Å; L245-R247 PolarHBondContact O-N 3.48Å; L245-F248 PolarHBondContact O-N 3.37Å; L245-E249 PolarHBondContact O-N 2.76Å; L245-E249 VanDerWaalsContact O-N 3.08Å
246L65.1Low68.3Low55 Ų5580.3 Ų80.329%0.28838%0.377SS..G310 helixtrans-66.3-13-177.8-65.4176.5000113.1K241 F243K241-L246 HydrophobicContact CD-CB 3.46Å; K241-L246 VanDerWaalsContact CD-CB 3.46Å; K241-L246 WeakPolarHBondContact CD-O 3.13Å; K241-L246 PolarHBondContact NZ-O 3.21Å; F243-L246 HydrophobicContact CB-CD1 4.05Å; F243-L246 HydrophobicContact CB-CG 4.25Å; F243-L246 PolarHBondContact O-N 2.93Å; F243-L246 VanDerWaalsContact O-N 3.09Å
247R72.9Confident70.7Confident50 Ų5077.3 Ų77.319%0.18937%0.367CS..G310 helixtrans-75.9-27173.6-60.8-174.4-54.6178.913.1112.3R222 K241 F244 L245R222-R247 WeakPolarHBondContact CD-O 3.45Å; R222-R247 PolarHBondContact NH1-O 3.34Å; K241-R247 HydrophobicContact CB-CG 3.83Å; F244-R247 WeakPolarHBondContact O-CB 3.31Å; F244-R247 PolarHBondContact O-N 2.98Å; L245-R247 PolarHBondContact O-N 3.48Å
248F82.3Confident73Confident5 Ų565.5 Ų65.52%0.02232%0.322CS..THydrogen-bonded Turntrans-115-13.9-171.9-58.6-76.3000113.9V70 I81 L220 R222 F244 L245V70-F248 HydrophobicContact CB-CB 4.45Å; V70-F248 HydrophobicContact CG1-CB 3.56Å; V70-F248 HydrophobicContact CG2-CB 4.01Å; V70-F248 HydrophobicContact CG2-CD2 4.44Å; I81-F248 HydrophobicContact CG2-CD1 3.61Å; I81-F248 HydrophobicContact CG2-CE1 4.23Å; I81-F248 HydrophobicContact CG2-CG 4.4Å; L220-F248 HydrophobicContact CB-CE1 3.97Å; L220-F248 HydrophobicContact CB-CE2 4.46Å; L220-F248 HydrophobicContact CB-CZ 3.52Å; L220-F248 HydrophobicContact CD1-CZ 4.31Å; R222-F248 HydrophobicContact CB-CD1 4.42Å; R222-F248 HydrophobicContact CB-CE1 3.91Å; F244-F248 HydrophobicContact CD1-CD2 4.45Å; F244-F248 AromaticContact CD2-CE2 3.95Å; F244-F248 HydrophobicContact CD2-CE2 3.95Å; F244-F248 HydrophobicContact CE1-CD2 4.03Å; F244-F248 HydrophobicContact CE1-CE2 4.1Å; F244-F248 HydrophobicContact CE2-CD2 4.18Å; F244-F248 AromaticContact CE2-CE2 3.42Å; F244-F248 HydrophobicContact CE2-CE2 3.42Å; F244-F248 VanDerWaalsContact CE2-CE2 3.42Å; F244-F248 HydrophobicContact CE2-CZ 4.22Å; F244-F248 HydrophobicContact CG-CE2 4.44Å; F244-F248 AromaticContact CZ-CD2 3.86Å; F244-F248 HydrophobicContact CZ-CD2 3.86Å; F244-F248 AromaticContact CZ-CE2 3.49Å; F244-F248 HydrophobicContact CZ-CE2 3.49Å; F244-F248 VanDerWaalsContact CZ-CE2 3.49Å; F244-F248 HydrophobicContact CZ-CZ 4.37Å; F244-F248 VanDerWaalsContact O-CD2 3.24Å; F244-F248 WeakPolarHBondContact O-CD2 3.34Å; L245-F248 PolarHBondContact O-N 3.37Å
249E81.4Confident75.6Confident14 Ų1457.1 Ų57.17%0.06528%0.283CS..SBendtrans-97.897.2172.2-64.2179.2161.600109R53 V70 F71 L245 L253R53-E249 IonicContact CZ-OE1 2.68Å; R53-E249 IonicContact CZ-OE2 2.68Å; R53-E249 IonicContact NE-OE1 3.83Å; R53-E249 IonicContact NH2-OE1 3.66Å; R53-E249 PolarHBondContact NH2-OE1 3.32Å; R53-E249 IonicContact NH2-OE2 3.54Å; R53-E249 PolarHBondContact NH2-OE2 3.4Å; V70-E249 HydrophobicContact CG1-CG 3.95Å; F71-E249 WeakPolarHBondContact CD2-OE1 3.42Å; F71-E249 PolarHBondContact N-OE1 2.84Å; L245-E249 PolarHBondContact O-N 2.76Å; L245-E249 VanDerWaalsContact O-N 3.08Å; E249-L253 HydrophobicContact CB-CD2 3.83Å; E249-L253 HydrophobicContact CG-CD2 3.9Å
250D72.5Confident78Confident78 Ų7853.2 Ų53.242%0.41727%0.266SS..  trans-70.7130.3-179-72.3-41.5000112.1R222R222-D250 IonicContact CZ-OD1 2.82Å; R222-D250 IonicContact CZ-OD2 2.61Å; R222-D250 IonicContact NH1-OD1 3.29Å; R222-D250 PolarHBondContact NH1-OD1 2.93Å; R222-D250 IonicContact NH1-OD2 2.68Å; R222-D250 VanDerWaalsContact NH2-CG 3.28Å; R222-D250 IonicContact NH2-OD1 3.35Å; R222-D250 PolarHBondContact NH2-OD1 3.46Å; R222-D250 VanDerWaalsContact NH2-OD1 3.15Å; R222-D250 IonicContact NH2-OD2 2.81Å; R222-D250 PolarHBondContact NH2-OD2 3.44Å
251G77.9Confident80.4Confident32 Ų3247.1 Ų47.133%0.3324%0.237SC..SBendtrans61.8-145.5172.500000113.5G226G226-G251 PolarHBondContact O-N 3.47Å; G226-G251 VanDerWaalsContact O-N 3.11Å
252T83.6Confident82.7Confident66 Ų6650 Ų5041%0.40525%0.25SC..SBendtrans-84.7124.2175.9-61.40000109.2N34 P35 Y255N34-T252 PolarHBondContact ND2-OG1 2.88Å; P35-T252 HydrophobicContact CG-CG2 4.44Å; T252-Y255 HydrophobicContact CG2-CD1 3.97Å; T252-Y255 HydrophobicContact CG2-CE1 3.98Å
253L86.9Confident85.1Confident25 Ų2542.2 Ų42.213%0.13122%0.22CC..  trans-55151.3173.6-72.6176.1000111.8V49 F71 E249 Y255V49-L253 HydrophobicContact CG1-CD1 3.97Å; F71-L253 HydrophobicContact CB-CD2 3.99Å; F71-L253 HydrophobicContact CD2-CD1 4.03Å; E249-L253 HydrophobicContact CB-CD2 3.83Å; E249-L253 HydrophobicContact CG-CD2 3.9Å; L253-Y255 WeakPolarHBondContact O-CD1 3.2Å; L253-Y255 PolarHBondContact O-N 3.09Å
254A91.3Very high86.8Confident57 Ų5734.9 Ų34.947%0.47119%0.188SC..  trans-70.463.3165.800000110.6Q256 L257 V258A254-Q256 PolarHBondContact O-N 2.91Å; A254-Q256 VanDerWaalsContact O-N 3.14Å; A254-L257 HydrophobicContact CB-CB 4.23Å; A254-L257 HydrophobicContact CB-CD1 3.89Å; A254-L257 HydrophobicContact CB-CG 4.02Å; A254-L257 WeakPolarHBondContact O-CA 3.3Å; A254-L257 WeakPolarHBondContact O-CB 3.44Å; A254-L257 PolarHBondContact O-N 3.41Å; A254-V258 PolarHBondContact O-N 2.93Å; A254-V258 VanDerWaalsContact O-N 3.08Å
255Y93.3Very high88Confident48 Ų4833.6 Ų33.619%0.18818%0.182CC..Hα-helixtrans-60.7-29.5-166.454.9-97.6000113.2F32 P35 T45 T252 L253 V258 I259F32-Y255 HydrophobicContact CB-CD2 4.07Å; F32-Y255 HydrophobicContact CB-CE2 3.84Å; P35-Y255 HydrophobicContact CG-CD1 4.3Å; T45-Y255 HydrophobicContact CG2-CD1 4.36Å; T45-Y255 HydrophobicContact CG2-CD2 3.47Å; T45-Y255 VanDerWaalsContact CG2-CD2 3.47Å; T45-Y255 HydrophobicContact CG2-CE2 4.26Å; T45-Y255 HydrophobicContact CG2-CG 3.54Å; T252-Y255 HydrophobicContact CG2-CD1 3.97Å; T252-Y255 HydrophobicContact CG2-CE1 3.98Å; L253-Y255 WeakPolarHBondContact O-CD1 3.2Å; L253-Y255 PolarHBondContact O-N 3.09Å; Y255-V258 WeakPolarHBondContact O-CB 3.36Å; Y255-V258 PolarHBondContact O-N 2.94Å; Y255-I259 WeakPolarHBondContact O-CB 3.38Å; Y255-I259 VanDerWaalsContact O-CD1 3.31Å; Y255-I259 WeakPolarHBondContact O-CD1 3.47Å; Y255-I259 WeakPolarHBondContact O-CG1 3.13Å; Y255-I259 PolarHBondContact O-N 2.74Å
256Q95Very high89.1Confident91 Ų9134 Ų3443%0.42519%0.185SC..Hα-helixtrans-65.5-39.1172.8-69.8-179.3-1700111.9L27 A254 I259 A260L27-Q256 HydrophobicContact CD2-CG 4.42Å; A254-Q256 PolarHBondContact O-N 2.91Å; A254-Q256 VanDerWaalsContact O-N 3.14Å; Q256-I259 PolarHBondContact O-N 3.08Å; Q256-A260 WeakPolarHBondContact O-CB 3.36Å; Q256-A260 PolarHBondContact O-N 2.88Å
257L96Very high90.6Very high51 Ų5132.1 Ų32.127%0.26718%0.177SC..Hα-helixtrans-68.1-38.1174.4-54.3-173.5000110.7P204 I207 A254 I259 A260 L261P204-L257 HydrophobicContact CB-CD2 3.92Å; P204-L257 HydrophobicContact CG-CB 4.13Å; P204-L257 HydrophobicContact CG-CD2 4.38Å; I207-L257 HydrophobicContact CB-CB 4.15Å; I207-L257 HydrophobicContact CD1-CB 4.01Å; I207-L257 HydrophobicContact CG2-CB 4.18Å; A254-L257 HydrophobicContact CB-CB 4.23Å; A254-L257 HydrophobicContact CB-CD1 3.89Å; A254-L257 HydrophobicContact CB-CG 4.02Å; A254-L257 WeakPolarHBondContact O-CA 3.3Å; A254-L257 WeakPolarHBondContact O-CB 3.44Å; A254-L257 PolarHBondContact O-N 3.41Å; L257-I259 VanDerWaalsContact C-N 3.33Å; L257-I259 PolarHBondContact O-N 3.34Å; L257-A260 WeakPolarHBondContact O-CB 3.47Å; L257-A260 PolarHBondContact O-N 3.14Å; L257-L261 WeakPolarHBondContact O-CG 3.26Å; L257-L261 PolarHBondContact O-N 3.38Å
258V96.3Very high91.6Very high1 Ų129.9 Ų29.91%0.00617%0.169CC..Hα-helixtrans-59.1-45.7172.7179.70000110.5V49 M52 F71 I207 A254 Y255 A260 L261V49-V258 HydrophobicContact CB-CG1 4.38Å; V49-V258 HydrophobicContact CG1-CG1 4.31Å; V49-V258 HydrophobicContact CG2-CB 4.39Å; V49-V258 HydrophobicContact CG2-CG1 4.09Å; M52-V258 HydrophobicContact CB-CG1 3.78Å; M52-V258 HydrophobicContact CG-CG1 3.85Å; M52-V258 WeakPolarHBondContact CG-O 3.43Å; F71-V258 HydrophobicContact CD1-CG2 4.1Å; F71-V258 HydrophobicContact CD2-CG2 4.12Å; F71-V258 HydrophobicContact CE1-CG1 3.88Å; F71-V258 HydrophobicContact CE1-CG2 4.2Å; F71-V258 HydrophobicContact CE2-CG1 3.88Å; F71-V258 HydrophobicContact CE2-CG2 4.22Å; F71-V258 HydrophobicContact CG-CG2 4.06Å; F71-V258 HydrophobicContact CZ-CG1 3.48Å; F71-V258 VanDerWaalsContact CZ-CG1 3.48Å; F71-V258 HydrophobicContact CZ-CG2 4.27Å; I207-V258 HydrophobicContact CD1-CB 4.13Å; I207-V258 HydrophobicContact CD1-CG2 3.51Å; A254-V258 PolarHBondContact O-N 2.93Å; A254-V258 VanDerWaalsContact O-N 3.08Å; Y255-V258 WeakPolarHBondContact O-CB 3.36Å; Y255-V258 PolarHBondContact O-N 2.94Å; V258-A260 VanDerWaalsContact C-N 3.34Å; V258-A260 PolarHBondContact O-N 2.96Å; V258-L261 VanDerWaalsContact O-CB 3.29Å; V258-L261 WeakPolarHBondContact O-CB 3.25Å; V258-L261 PolarHBondContact O-N 3.36Å
259I96Very high92.2Very high5 Ų534.7 Ų34.73%0.02619%0.191CC..Hα-helixtrans-64.9-40178.8-68.7159.1000111F32 T45 R48 Y255 Q256 L257 L261 K262F32-I259 HydrophobicContact CB-CD1 4.26Å; F32-I259 HydrophobicContact CD1-CD1 3.49Å; F32-I259 VanDerWaalsContact CD1-CD1 3.49Å; F32-I259 HydrophobicContact CD2-CD1 3.72Å; F32-I259 HydrophobicContact CE1-CD1 3.65Å; F32-I259 HydrophobicContact CE2-CD1 3.86Å; F32-I259 HydrophobicContact CE2-CG2 4.03Å; F32-I259 HydrophobicContact CG-CD1 3.53Å; F32-I259 HydrophobicContact CZ-CD1 3.83Å; F32-I259 HydrophobicContact CZ-CG2 3.96Å; T45-I259 HydrophobicContact CG2-CD1 4.43Å; R48-I259 HydrophobicContact CB-CD1 4.28Å; R48-I259 HydrophobicContact CB-CG1 3.84Å; R48-I259 HydrophobicContact CG-CG1 4.45Å; Y255-I259 WeakPolarHBondContact O-CB 3.38Å; Y255-I259 VanDerWaalsContact O-CD1 3.31Å; Y255-I259 WeakPolarHBondContact O-CD1 3.47Å; Y255-I259 WeakPolarHBondContact O-CG1 3.13Å; Y255-I259 PolarHBondContact O-N 2.74Å; Q256-I259 PolarHBondContact O-N 3.08Å; L257-I259 VanDerWaalsContact C-N 3.33Å; L257-I259 PolarHBondContact O-N 3.34Å; I259-L261 PolarHBondContact O-N 2.83Å; I259-K262 WeakPolarHBondContact O-CB 3.36Å; I259-K262 PolarHBondContact O-N 3.16Å; I259-K262 VanDerWaalsContact O-N 3.16Å
260A97.2Very high92.9Very high0 Ų040.8 Ų40.80%022%0.217CC..Hα-helixtrans-57.9-30.3177.100000113.4F23 F203 P204 Q256 L257 V258 K262 H263F23-A260 HydrophobicContact CD1-CB 4.39Å; F23-A260 HydrophobicContact CD2-CB 3.76Å; F23-A260 HydrophobicContact CE1-CB 4.24Å; F23-A260 HydrophobicContact CE2-CB 3.59Å; F23-A260 HydrophobicContact CG-CB 4.15Å; F23-A260 HydrophobicContact CZ-CB 3.83Å; F203-A260 HydrophobicContact CD1-CB 4.42Å; F203-A260 HydrophobicContact CE1-CB 3.63Å; F203-A260 HydrophobicContact CZ-CB 4.15Å; P204-A260 HydrophobicContact CB-CB 4.37Å; P204-A260 HydrophobicContact CG-CB 3.77Å; Q256-A260 WeakPolarHBondContact O-CB 3.36Å; Q256-A260 PolarHBondContact O-N 2.88Å; L257-A260 WeakPolarHBondContact O-CB 3.47Å; L257-A260 PolarHBondContact O-N 3.14Å; V258-A260 VanDerWaalsContact C-N 3.34Å; V258-A260 PolarHBondContact O-N 2.96Å; A260-K262 PolarHBondContact O-N 3.02Å; A260-H263 PolarHBondContact O-N 3.08Å; A260-H263 VanDerWaalsContact O-N 3.12Å
261L98Very high93.9Very high0 Ų039 Ų390%021%0.213CC..Hα-helixtrans-56.3-34.3177.6-62.7177.7000112.8M52 I56 F71 F197 F201 P204 I207 L257 V258 I259 H263 G264 F265M52-L261 HydrophobicContact CG-CB 4.09Å; M52-L261 HydrophobicContact CG-CD1 4.09Å; M52-L261 HydrophobicContact SD-CB 3.5Å; M52-L261 VanDerWaalsContact SD-CB 3.5Å; I56-L261 HydrophobicContact CD1-CD1 4.36Å; F71-L261 HydrophobicContact CE1-CD1 4Å; F197-L261 HydrophobicContact CB-CD2 3.42Å; F197-L261 VanDerWaalsContact CB-CD2 3.42Å; F197-L261 HydrophobicContact CD1-CD2 4.08Å; F197-L261 HydrophobicContact CD2-CD1 3.71Å; F197-L261 HydrophobicContact CD2-CD2 3.46Å; F197-L261 VanDerWaalsContact CD2-CD2 3.46Å; F197-L261 HydrophobicContact CD2-CG 4.25Å; F197-L261 HydrophobicContact CE2-CD1 3.57Å; F197-L261 HydrophobicContact CE2-CD2 4.2Å; F197-L261 HydrophobicContact CG-CD1 4.24Å; F197-L261 HydrophobicContact CG-CD2 3.38Å; F197-L261 HydrophobicContact CG-CG 4.45Å; F197-L261 HydrophobicContact CZ-CD1 4.02Å; F201-L261 HydrophobicContact CE2-CD2 3.99Å; F201-L261 HydrophobicContact CZ-CB 4.44Å; F201-L261 HydrophobicContact CZ-CD2 3.7Å; P204-L261 HydrophobicContact CG-CD2 4.36Å; I207-L261 HydrophobicContact CD1-CD1 3.91Å; I207-L261 HydrophobicContact CD1-CG 4.35Å; I207-L261 HydrophobicContact CG1-CD1 4.44Å; I207-L261 HydrophobicContact CG2-CD2 3.76Å; I207-L261 HydrophobicContact CG2-CG 4.41Å; L257-L261 WeakPolarHBondContact O-CG 3.26Å; L257-L261 PolarHBondContact O-N 3.38Å; V258-L261 VanDerWaalsContact O-CB 3.29Å; V258-L261 WeakPolarHBondContact O-CB 3.25Å; V258-L261 PolarHBondContact O-N 3.36Å; I259-L261 PolarHBondContact O-N 2.83Å; L261-H263 PolarHBondContact O-N 3.07Å; L261-G264 PolarHBondContact O-N 2.7Å; L261-F265 HydrophobicContact CB-CD2 4.38Å; L261-F265 HydrophobicContact CB-CE2 4.37Å; L261-F265 VanDerWaalsContact O-CD2 3.28Å; L261-F265 WeakPolarHBondContact O-CD2 3.44Å; L261-F265 PolarHBondContact O-N 3.33Å
262K97.4Very high94.7Very high71 Ų7139.4 Ų39.431%0.30922%0.218SC..Hα-helixtrans-52.2-47.2178.1178.9-168.8168.9-65.70110.6M52 I259 A260 G264 F265 D266M52-K262 HydrophobicContact SD-CB 4.11Å; M52-K262 PolarHBondContact SD-N 3.38Å; I259-K262 WeakPolarHBondContact O-CB 3.36Å; I259-K262 PolarHBondContact O-N 3.16Å; I259-K262 VanDerWaalsContact O-N 3.16Å; A260-K262 PolarHBondContact O-N 3.02Å; K262-G264 VanDerWaalsContact C-N 3.29Å; K262-G264 PolarHBondContact O-N 2.85Å; K262-F265 PolarHBondContact O-N 2.91Å; K262-D266 IonicContact NZ-OD2 2.74Å; K262-D266 PolarHBondContact NZ-OD2 2.93Å; K262-D266 WeakPolarHBondContact O-CB 3.19Å; K262-D266 PolarHBondContact O-N 3.32Å
263H97.2Very high95.2Very high16 Ų1637.1 Ų37.17%0.07421%0.207CC..Hα-helixtrans-67.9-30.2-176.5-56.8-74.1000112Q19 A22 F23 D26 A260 L261 A267Q19-H263 HydrophobicContact CG-CB 3.98Å; A22-H263 WeakPolarHBondContact CB-ND1 2.86Å; A22-H263 PolarHBondContact O-CE1 3.16Å; F23-H263 AromaticContact CD2-CD2 3.83Å; D26-H263 IonicContact OD2-CE1 2.89Å; D26-H263 IonicContact OD2-NE2 3.94Å; D26-H263 PolarHBondContact OD2-NE2 2.71Å; A260-H263 PolarHBondContact O-N 3.08Å; A260-H263 VanDerWaalsContact O-N 3.12Å; L261-H263 PolarHBondContact O-N 3.07Å; H263-A267 WeakPolarHBondContact O-CB 3.47Å; H263-A267 PolarHBondContact O-N 2.96Å; H263-A267 VanDerWaalsContact O-N 3.11Å
264G96.9Very high95.6Very high0 Ų036 Ų360%020%0.201CC..Hα-helixtrans-70.9-44.8172.600000113.3F201 L261 K262 A267 I268F201-G264 VanDerWaalsContact CD1-C 3.46Å; L261-G264 PolarHBondContact O-N 2.7Å; K262-G264 VanDerWaalsContact C-N 3.29Å; K262-G264 PolarHBondContact O-N 2.85Å; G264-A267 PolarHBondContact O-N 3.1Å; G264-I268 PolarHBondContact O-N 3.49Å
265F97.3Very high95.8Very high0 Ų035.9 Ų35.90%020%0.201CC..Hα-helixtrans-63.6-42174.6-79.1-71.6000112.4M52 K55 I56 H59 F197 M200 F201 L261 K262 A267 I268 E269M52-F265 HydrophobicContact CE-CD2 3.67Å; M52-F265 HydrophobicContact CE-CE2 3.96Å; M52-F265 HydrophobicContact SD-CD2 4.5Å; K55-F265 HydrophobicContact CD-CB 4.36Å; I56-F265 HydrophobicContact CG1-CE2 3.92Å; I56-F265 HydrophobicContact CG1-CZ 3.99Å; H59-F265 HydrophobicContact CB-CD1 4.43Å; H59-F265 HydrophobicContact CB-CE1 3.86Å; H59-F265 AromaticContact CD2-CE1 3.85Å; H59-F265 AromaticContact CE1-CE1 3.96Å; H59-F265 AromaticContact CG-CE1 3.48Å; H59-F265 VanDerWaalsContact CG-CE1 3.48Å; H59-F265 AromaticContact ND1-CD1 3.75Å; H59-F265 AromaticContact ND1-CE1 3.57Å; F197-F265 HydrophobicContact CD1-CE2 4.32Å; F197-F265 HydrophobicContact CD1-CZ 4.18Å; F197-F265 HydrophobicContact CE1-CE2 4.1Å; F197-F265 AromaticContact CE1-CZ 3.85Å; F197-F265 HydrophobicContact CE1-CZ 3.85Å; M200-F265 HydrophobicContact CE-CE1 4.15Å; F201-F265 HydrophobicContact CE1-CD1 4.44Å; F201-F265 HydrophobicContact CE1-CD2 4.11Å; F201-F265 HydrophobicContact CE1-CE2 4.2Å; F201-F265 HydrophobicContact CE1-CG 4.24Å; F201-F265 HydrophobicContact CE1-CZ 4.4Å; F201-F265 HydrophobicContact CZ-CD2 4.46Å; F201-F265 HydrophobicContact CZ-CE2 4.46Å; L261-F265 HydrophobicContact CB-CD2 4.38Å; L261-F265 HydrophobicContact CB-CE2 4.37Å; L261-F265 VanDerWaalsContact O-CD2 3.28Å; L261-F265 WeakPolarHBondContact O-CD2 3.44Å; L261-F265 PolarHBondContact O-N 3.33Å; K262-F265 PolarHBondContact O-N 2.91Å; F265-A267 VanDerWaalsContact C-N 3.27Å; F265-A267 PolarHBondContact O-N 2.85Å; F265-I268 PolarHBondContact O-N 3.3Å; F265-E269 WeakPolarHBondContact O-CG 3.29Å; F265-E269 PolarHBondContact O-N 2.88Å
266D96.8Very high95.9Very high49 Ų4941.6 Ų41.626%0.26222%0.222SC..Hα-helixtrans-61.4-38.1176.3-67.2-4000111.1K55 K262 E269 K270K55-D266 IonicContact NZ-OD1 3.37Å; K55-D266 PolarHBondContact NZ-OD1 3.24Å; K262-D266 IonicContact NZ-OD2 2.74Å; K262-D266 PolarHBondContact NZ-OD2 2.93Å; K262-D266 WeakPolarHBondContact O-CB 3.19Å; K262-D266 PolarHBondContact O-N 3.32Å; D266-E269 PolarHBondContact O-N 3.14Å; D266-K270 WeakPolarHBondContact O-CB 3.33Å; D266-K270 PolarHBondContact O-N 3.06Å
267A95.6Very high95.9Very high16 Ų1637.8 Ų37.813%0.13220%0.204CC..Hα-helixtrans-66.9-39.6176.500000112.3H263 G264 F265 K270 A271 W398H263-A267 WeakPolarHBondContact O-CB 3.47Å; H263-A267 PolarHBondContact O-N 2.96Å; H263-A267 VanDerWaalsContact O-N 3.11Å; G264-A267 PolarHBondContact O-N 3.1Å; F265-A267 VanDerWaalsContact C-N 3.27Å; F265-A267 PolarHBondContact O-N 2.85Å; A267-K270 PolarHBondContact O-N 3.34Å; A267-A271 WeakPolarHBondContact O-CB 3.42Å; A267-A271 PolarHBondContact O-N 3.08Å; A267-W398 HydrophobicContact CB-CH2 3.44Å; A267-W398 VanDerWaalsContact CB-CH2 3.44Å; A267-W398 HydrophobicContact CB-CZ3 3.62Å
268I94.7Very high95.8Very high3 Ų335.6 Ų35.62%0.01519%0.194CC..Hα-helixtrans-62.3-45.4171.9-74.4-179.9000111.3M200 F201 G264 F265 K270 A271 G272 G273 I274 I277 W398M200-I268 HydrophobicContact CB-CD1 4.2Å; M200-I268 HydrophobicContact CE-CD1 4.39Å; F201-I268 HydrophobicContact CB-CD1 4.2Å; F201-I268 HydrophobicContact CB-CG1 4.33Å; F201-I268 HydrophobicContact CD1-CD1 3.59Å; F201-I268 HydrophobicContact CD1-CG1 4.31Å; F201-I268 HydrophobicContact CG-CD1 4.39Å; G264-I268 PolarHBondContact O-N 3.49Å; F265-I268 PolarHBondContact O-N 3.3Å; I268-K270 VanDerWaalsContact C-N 3.32Å; I268-K270 PolarHBondContact O-N 2.74Å; I268-A271 PolarHBondContact O-N 2.87Å; I268-G272 PolarHBondContact O-N 2.77Å; I268-G273 WeakPolarHBondContact O-CA 3.27Å; I268-G273 PolarHBondContact O-N 3.18Å; I268-I274 HydrophobicContact CD1-CD1 3.73Å; I268-I274 HydrophobicContact CD1-CG1 4.5Å; I268-I274 HydrophobicContact CG2-CD1 4.01Å; I268-I274 HydrophobicContact CG2-CG1 3.94Å; I268-I277 HydrophobicContact CB-CD1 4.36Å; I268-I277 HydrophobicContact CG1-CD1 4.17Å; I268-I277 HydrophobicContact CG2-CD1 3.99Å; I268-W398 HydrophobicContact CG1-CE3 4.48Å
269E95.3Very high95.8Very high106 Ų10641 Ų4150%0.49522%0.219SC..Hα-helixtrans-59.8-44.7177.4-74.5165.9-166.100110.5K55 F265 D266 A271 G272K55-E269 WeakPolarHBondContact CE-OE1 3.38Å; K55-E269 VanDerWaalsContact NZ-CD 3.29Å; K55-E269 IonicContact NZ-OE1 2.63Å; K55-E269 PolarHBondContact NZ-OE1 2.89Å; K55-E269 IonicContact NZ-OE2 3.57Å; K55-E269 PolarHBondContact NZ-OE2 3.34Å; F265-E269 WeakPolarHBondContact O-CG 3.29Å; F265-E269 PolarHBondContact O-N 2.88Å; D266-E269 PolarHBondContact O-N 3.14Å; E269-A271 VanDerWaalsContact C-N 3.31Å; E269-A271 PolarHBondContact O-N 3.2Å; E269-G272 WeakPolarHBondContact O-CA 3.47Å; E269-G272 PolarHBondContact O-N 3.37Å
270K94.6Very high95.8Very high141 Ų14145 Ų4561%0.61323%0.234SC*.Hα-helixtrans-61.8-35.6175.1-170.9-178179.7-171.60112.7E18 D266 A267 I268 G272E18-K270 IonicContact OE1-NZ 2.87Å; E18-K270 PolarHBondContact OE1-NZ 3.03Å; E18-K270 IonicContact OE2-NZ 3.93Å; E18-K270 PolarHBondContact OE2-NZ 3.06Å; D266-K270 WeakPolarHBondContact O-CB 3.33Å; D266-K270 PolarHBondContact O-N 3.06Å; A267-K270 PolarHBondContact O-N 3.34Å; I268-K270 VanDerWaalsContact C-N 3.32Å; I268-K270 PolarHBondContact O-N 2.74Å; K270-G272 PolarHBondContact O-N 2.98Å
271A93.3Very high95.7Very high40 Ų4045.1 Ų45.133%0.33123%0.234SC..THydrogen-bonded Turntrans-72.5-4173.300000113.6A267 I268 E269 I277 W398A267-A271 WeakPolarHBondContact O-CB 3.42Å; A267-A271 PolarHBondContact O-N 3.08Å; I268-A271 PolarHBondContact O-N 2.87Å; E269-A271 VanDerWaalsContact C-N 3.31Å; E269-A271 PolarHBondContact O-N 3.2Å; A271-I277 HydrophobicContact CB-CD1 4.16Å; A271-I277 HydrophobicContact CB-CG1 4.34Å; A271-W398 HydrophobicContact CB-CE3 4.38Å
272G94.8Very high95.6Very high41 Ų4146 Ų4642%0.42324%0.238SC..THydrogen-bonded Turntrans96.714.2178.900000114.7I268 E269 K270I268-G272 PolarHBondContact O-N 2.77Å; E269-G272 WeakPolarHBondContact O-CA 3.47Å; E269-G272 PolarHBondContact O-N 3.37Å; K270-G272 PolarHBondContact O-N 2.98Å
273G95.7Very high95.6Very high18 Ų1847.5 Ų47.519%0.18625%0.246CC..Hα-helixtrans85.8165175.100000115I268 A275 R276 I277I268-G273 WeakPolarHBondContact O-CA 3.27Å; I268-G273 PolarHBondContact O-N 3.18Å; G273-A275 VanDerWaalsContact C-N 3.27Å; G273-A275 PolarHBondContact O-N 2.9Å; G273-R276 PolarHBondContact O-N 3.3Å; G273-I277 WeakPolarHBondContact O-CG1 3.44Å; G273-I277 PolarHBondContact O-N 3.05Å; G273-I277 VanDerWaalsContact O-N 3.08Å
274I95.2Very high95.6Very high1 Ų146.8 Ų46.81%0.00524%0.243CC..Hα-helixtrans-59.5-34.7-175.7-69.9-66.4000112.6P179 Q182 M200 I268 R276 I277 G278P179-I274 WeakPolarHBondContact O-CD1 3.34Å; Q182-I274 HydrophobicContact CB-CB 4.42Å; Q182-I274 HydrophobicContact CB-CG2 4.17Å; M200-I274 HydrophobicContact CE-CD1 4.38Å; I268-I274 HydrophobicContact CD1-CD1 3.73Å; I268-I274 HydrophobicContact CD1-CG1 4.5Å; I268-I274 HydrophobicContact CG2-CD1 4.01Å; I268-I274 HydrophobicContact CG2-CG1 3.94Å; I274-R276 PolarHBondContact O-N 2.96Å; I274-I277 HydrophobicContact CD1-CD1 4.47Å; I274-I277 PolarHBondContact O-N 3.37Å; I274-G278 PolarHBondContact O-N 2.91Å
275A94.3Very high95.6Very high55 Ų5546.8 Ų46.846%0.45524%0.243SC..Hα-helixtrans-60.8-45.2178.800000111.8Q182 G273 G278 Q279Q182-A275 HydrophobicContact CB-CB 4.15Å; G273-A275 VanDerWaalsContact C-N 3.27Å; G273-A275 PolarHBondContact O-N 2.9Å; A275-G278 PolarHBondContact O-N 3.25Å; A275-Q279 WeakPolarHBondContact O-CG 3.44Å; A275-Q279 PolarHBondContact O-N 3.47Å; A275-Q279 VanDerWaalsContact O-N 3.14Å
276R95.9Very high95.5Very high168 Ų16848.6 Ų48.663%0.63425%0.253SS*.Hα-helixtrans-69.2-43.9177.7-172.5179.2-177.4179.30111.6G273 I274 G278 Q279 R280G273-R276 PolarHBondContact O-N 3.3Å; I274-R276 PolarHBondContact O-N 2.96Å; R276-G278 VanDerWaalsContact C-N 3.31Å; R276-G278 PolarHBondContact O-N 3.43Å; R276-Q279 PolarHBondContact O-N 3.46Å; R276-R280 PolarHBondContact O-N 3.21Å
277I95.6Very high95.5Very high12 Ų1251.2 Ų51.26%0.06226%0.259CS..Hα-helixtrans-56.7-47.8174.7-69168000110.2I268 A271 G273 I274 Q279 R280 V281 W398I268-I277 HydrophobicContact CB-CD1 4.36Å; I268-I277 HydrophobicContact CG1-CD1 4.17Å; I268-I277 HydrophobicContact CG2-CD1 3.99Å; A271-I277 HydrophobicContact CB-CD1 4.16Å; A271-I277 HydrophobicContact CB-CG1 4.34Å; G273-I277 WeakPolarHBondContact O-CG1 3.44Å; G273-I277 PolarHBondContact O-N 3.05Å; G273-I277 VanDerWaalsContact O-N 3.08Å; I274-I277 HydrophobicContact CD1-CD1 4.47Å; I274-I277 PolarHBondContact O-N 3.37Å; I277-Q279 PolarHBondContact O-N 3.42Å; I277-R280 PolarHBondContact O-N 3.48Å; I277-V281 HydrophobicContact CG2-CG2 4.12Å; I277-V281 WeakPolarHBondContact O-CB 3.33Å; I277-V281 VanDerWaalsContact O-CG2 3.32Å; I277-V281 WeakPolarHBondContact O-CG2 3.24Å; I277-V281 PolarHBondContact O-N 3.25Å; I277-W398 HydrophobicContact CD1-CB 4.07Å; I277-W398 HydrophobicContact CG1-CB 4.27Å; I277-W398 HydrophobicContact CG2-CB 3.72Å
278G94.5Very high95.6Very high4 Ų450.5 Ų50.54%0.04125%0.253CS..Hα-helixtrans-58.6-44.3179.400000113.5T180 I274 A275 R276 F282T180-G278 WeakPolarHBondContact O-CA 3.45Å; I274-G278 PolarHBondContact O-N 2.91Å; A275-G278 PolarHBondContact O-N 3.25Å; R276-G278 VanDerWaalsContact C-N 3.31Å; R276-G278 PolarHBondContact O-N 3.43Å; G278-F282 VanDerWaalsContact O-CB 3.3Å; G278-F282 WeakPolarHBondContact O-CB 3.38Å; G278-F282 PolarHBondContact O-N 2.91Å
279Q95.3Very high95.7Very high115 Ų11551.4 Ų51.454%0.53726%0.256SS..Hα-helixtrans-62.2-46174.8-73.4-177.9-2.800111.8A275 R276 I277 F282 Q283A275-Q279 WeakPolarHBondContact O-CG 3.44Å; A275-Q279 PolarHBondContact O-N 3.47Å; A275-Q279 VanDerWaalsContact O-N 3.14Å; R276-Q279 PolarHBondContact O-N 3.46Å; I277-Q279 PolarHBondContact O-N 3.42Å; Q279-F282 PolarHBondContact O-N 2.63Å; Q279-Q283 VanDerWaalsContact O-CG 3.3Å; Q279-Q283 WeakPolarHBondContact O-CG 3.27Å; Q279-Q283 PolarHBondContact O-N 3.14Å
280R96.1Very high95.8Very high90 Ų9049.1 Ų49.134%0.3425%0.247SC..Hα-helixtrans-63.4-47.1179.9179.360.4179.9135.90.2112R276 I277 F282 Q283 L284 E402R276-R280 PolarHBondContact O-N 3.21Å; I277-R280 PolarHBondContact O-N 3.48Å; R280-F282 VanDerWaalsContact C-N 3.32Å; R280-F282 PolarHBondContact O-N 3.28Å; R280-Q283 WeakPolarHBondContact O-CB 2.94Å; R280-Q283 PolarHBondContact O-N 3.41Å; R280-L284 WeakPolarHBondContact O-CG 3.25Å; R280-L284 PolarHBondContact O-N 3.12Å; R280-E402 IonicContact CZ-OE2 2.66Å; R280-E402 IonicContact NH1-OE2 3.13Å; R280-E402 PolarHBondContact NH1-OE2 3.06Å; R280-E402 IonicContact NH2-OE2 3.15Å; R280-E402 PolarHBondContact NH2-OE2 3.22Å
281V95.9Very high95.9Very high1 Ų143 Ų431%0.00622%0.224CC..Hα-helixtrans-61.8-41.6178.1165.30000111.1T180 I277 L284 A285 F396 G397T180-V281 HydrophobicContact CG2-CB 4.09Å; T180-V281 HydrophobicContact CG2-CG1 3.73Å; T180-V281 HydrophobicContact CG2-CG2 4.21Å; I277-V281 HydrophobicContact CG2-CG2 4.12Å; I277-V281 WeakPolarHBondContact O-CB 3.33Å; I277-V281 VanDerWaalsContact O-CG2 3.32Å; I277-V281 WeakPolarHBondContact O-CG2 3.24Å; I277-V281 PolarHBondContact O-N 3.25Å; V281-L284 PolarHBondContact O-N 3.23Å; V281-A285 WeakPolarHBondContact O-CB 3.49Å; V281-A285 PolarHBondContact O-N 2.66Å; V281-F396 HydrophobicContact CG1-CB 4.18Å; V281-F396 VanDerWaalsContact CG1-O 3.31Å; V281-F396 WeakPolarHBondContact CG1-O 3.39Å; V281-G397 WeakPolarHBondContact CG2-O 3.08Å
282F95.4Very high96.1Very high20 Ų2041.1 Ų41.19%0.08821%0.209CC..Hα-helixtrans-62.2-42.6173.8171.2-99.7000112.1G278 Q279 R280 L284 A285 N286 F312 P315 Q318G278-F282 VanDerWaalsContact O-CB 3.3Å; G278-F282 WeakPolarHBondContact O-CB 3.38Å; G278-F282 PolarHBondContact O-N 2.91Å; Q279-F282 PolarHBondContact O-N 2.63Å; R280-F282 VanDerWaalsContact C-N 3.32Å; R280-F282 PolarHBondContact O-N 3.28Å; F282-L284 PolarHBondContact O-N 3.26Å; F282-A285 PolarHBondContact O-N 3.15Å; F282-N286 HydrophobicContact CE1-CB 4.4Å; F282-N286 HydrophobicContact CZ-CB 4.3Å; F282-N286 VanDerWaalsContact O-CB 3.24Å; F282-N286 WeakPolarHBondContact O-CB 3.26Å; F282-N286 PolarHBondContact O-N 2.81Å; F282-F312 HydrophobicContact CD2-CD1 4.24Å; F282-F312 HydrophobicContact CD2-CE1 4.13Å; F282-F312 AromaticContact CE2-CD1 3.73Å; F282-F312 HydrophobicContact CE2-CD1 3.73Å; F282-F312 HydrophobicContact CE2-CE1 4.09Å; F282-F312 HydrophobicContact CZ-CD1 4.46Å; F282-F312 WeakPolarHBondContact CZ-O 3.4Å; F282-P315 HydrophobicContact CB-CB 3.88Å; F282-P315 HydrophobicContact CD1-CB 3.86Å; F282-P315 HydrophobicContact CD1-CG 4.27Å; F282-P315 HydrophobicContact CD2-CB 4.13Å; F282-P315 HydrophobicContact CE1-CB 4.48Å; F282-P315 HydrophobicContact CG-CB 3.66Å; F282-Q318 HydrophobicContact CD2-CB 4.31Å; F282-Q318 WeakPolarHBondContact CD2-O 3.43Å; F282-Q318 HydrophobicContact CE2-CB 4.03Å; F282-Q318 HydrophobicContact CE2-CG 4.41Å
283Q96.7Very high96.2Very high102 Ų10241.9 Ų41.948%0.47720%0.203SC..Hα-helixtrans-60.3-45.1177.3-72.9166.7-7.900112.1Q279 R280 N286 R287Q279-Q283 VanDerWaalsContact O-CG 3.3Å; Q279-Q283 WeakPolarHBondContact O-CG 3.27Å; Q279-Q283 PolarHBondContact O-N 3.14Å; R280-Q283 WeakPolarHBondContact O-CB 2.94Å; R280-Q283 PolarHBondContact O-N 3.41Å; Q283-N286 PolarHBondContact O-N 2.87Å; Q283-R287 PolarHBondContact O-N 2.66Å
284L97.8Very high96.3Very high0 Ų044.9 Ų44.90%022%0.221CC..Hα-helixtrans-60-48.5176.2-68.8173.2000111.4R280 V281 F282 N286 R287 A288 F396 E402 V405R280-L284 WeakPolarHBondContact O-CG 3.25Å; R280-L284 PolarHBondContact O-N 3.12Å; V281-L284 PolarHBondContact O-N 3.23Å; F282-L284 PolarHBondContact O-N 3.26Å; L284-N286 PolarHBondContact O-N 3.04Å; L284-R287 PolarHBondContact O-N 3.1Å; L284-A288 PolarHBondContact O-N 2.86Å; L284-F396 HydrophobicContact CB-CB 4.24Å; L284-F396 HydrophobicContact CB-CD1 4Å; L284-F396 HydrophobicContact CB-CD2 4.25Å; L284-F396 HydrophobicContact CB-CE1 4.44Å; L284-F396 HydrophobicContact CB-CG 3.89Å; L284-F396 HydrophobicContact CD1-CB 4.34Å; L284-F396 HydrophobicContact CD1-CD1 4.31Å; L284-E402 WeakPolarHBondContact CD2-OE2 3.47Å; L284-V405 HydrophobicContact CB-CG2 4.01Å; L284-V405 HydrophobicContact CD2-CG2 3.72Å; L284-V405 HydrophobicContact CG-CG2 4.48Å
285A96.1Very high96.4Very high0 Ų045.8 Ų45.80%023%0.226CC..Hα-helixtrans-65.7-37.7179.200000112.5V281 F282 A288 Y289 F312 V322 F396V281-A285 WeakPolarHBondContact O-CB 3.49Å; V281-A285 PolarHBondContact O-N 2.66Å; F282-A285 PolarHBondContact O-N 3.15Å; A285-A288 PolarHBondContact O-N 2.75Å; A285-Y289 VanDerWaalsContact O-CB 3.29Å; A285-Y289 WeakPolarHBondContact O-CB 3.3Å; A285-Y289 PolarHBondContact O-N 2.92Å; A285-F312 VanDerWaalsContact C-CE1 3.5Å; A285-F312 HydrophobicContact CB-CE1 3.47Å; A285-F312 VanDerWaalsContact CB-CE1 3.47Å; A285-F312 HydrophobicContact CB-CZ 3.6Å; A285-V322 HydrophobicContact CB-CG2 4.32Å; A285-F396 HydrophobicContact CB-CD2 3.78Å; A285-F396 HydrophobicContact CB-CE2 4.18Å
286N96.2Very high96.6Very high38 Ų3848.2 Ų48.220%0.20322%0.223CC..Hα-helixtrans-64.1-42.5174.4170.3-125.8000111.5F282 Q283 L284 Y289 D290 F312 R313F282-N286 HydrophobicContact CE1-CB 4.4Å; F282-N286 HydrophobicContact CZ-CB 4.3Å; F282-N286 VanDerWaalsContact O-CB 3.24Å; F282-N286 WeakPolarHBondContact O-CB 3.26Å; F282-N286 PolarHBondContact O-N 2.81Å; Q283-N286 PolarHBondContact O-N 2.87Å; L284-N286 PolarHBondContact O-N 3.04Å; N286-Y289 WeakPolarHBondContact O-CB 3.36Å; N286-Y289 PolarHBondContact O-N 3.04Å; N286-D290 PolarHBondContact ND2-OD2 3.33Å; N286-D290 PolarHBondContact O-N 3.02Å; N286-F312 HydrophobicContact CB-CD1 3.85Å; N286-F312 HydrophobicContact CB-CE1 4.4Å; N286-F312 PolarHBondContact ND2-O 3.28Å; N286-F312 VanDerWaalsContact ND2-O 3.13Å; N286-R313 PolarHBondContact ND2-NH1 3.28Å
287R97.3Very high96.6Very high105 Ų10540.5 Ų40.540%0.39619%0.194SC..Hα-helixtrans-63.6-43.1175.2-175.3-179.5170.9174.7-7.2111.9Q283 L284 Y289 D290 G291 E402 V405 S406Q283-R287 PolarHBondContact O-N 2.66Å; L284-R287 PolarHBondContact O-N 3.1Å; R287-Y289 VanDerWaalsContact C-N 3.32Å; R287-Y289 PolarHBondContact O-N 2.75Å; R287-D290 PolarHBondContact O-N 2.76Å; R287-G291 PolarHBondContact O-N 3.25Å; R287-E402 WeakPolarHBondContact CD-OE1 3.06Å; R287-E402 IonicContact CZ-OE1 2.88Å; R287-E402 IonicContact NE-OE1 3.2Å; R287-E402 VanDerWaalsContact NH1-CD 3.28Å; R287-E402 IonicContact NH1-OE1 2.87Å; R287-E402 PolarHBondContact NH1-OE1 2.93Å; R287-V405 HydrophobicContact CB-CG1 4.17Å; R287-V405 HydrophobicContact CG-CG1 3.88Å; R287-S406 PolarHBondContact NH2-OG 3.26Å
288A97.6Very high96.6Very high0 Ų045 Ų450%021%0.211CC..Hα-helixtrans-62.1-42175.100000111.6L284 A285 G291 L292 I394 F396 V405L284-A288 PolarHBondContact O-N 2.86Å; A285-A288 PolarHBondContact O-N 2.75Å; A288-G291 PolarHBondContact O-N 3.11Å; A288-L292 WeakPolarHBondContact O-CB 3.33Å; A288-L292 WeakPolarHBondContact O-CG 3.44Å; A288-L292 PolarHBondContact O-N 3.25Å; A288-I394 HydrophobicContact CB-CD1 3.87Å; A288-F396 HydrophobicContact CB-CE2 3.81Å; A288-F396 HydrophobicContact CB-CZ 3.79Å; A288-V405 HydrophobicContact CB-CG1 4.04Å
289Y96.6Very high96.6Very high22 Ų2248.5 Ų48.59%0.08623%0.229CC..Hα-helixtrans-60.4-51.9175.1171-91.9000112.5A285 N286 R287 G291 L292 L293 I306 C308 F312A285-Y289 VanDerWaalsContact O-CB 3.29Å; A285-Y289 WeakPolarHBondContact O-CB 3.3Å; A285-Y289 PolarHBondContact O-N 2.92Å; N286-Y289 WeakPolarHBondContact O-CB 3.36Å; N286-Y289 PolarHBondContact O-N 3.04Å; R287-Y289 VanDerWaalsContact C-N 3.32Å; R287-Y289 PolarHBondContact O-N 2.75Å; Y289-G291 VanDerWaalsContact C-N 3.29Å; Y289-G291 PolarHBondContact O-N 3.25Å; Y289-L292 PolarHBondContact O-N 2.92Å; Y289-L293 HydrophobicContact CD1-CD1 3.96Å; Y289-L293 HydrophobicContact CE1-CD1 3.28Å; Y289-L293 HydrophobicContact CE1-CG 4.22Å; Y289-L293 HydrophobicContact CE2-CD1 4.16Å; Y289-L293 HydrophobicContact CE2-CG 4.46Å; Y289-L293 VanDerWaalsContact CZ-CD1 3.4Å; Y289-L293 WeakPolarHBondContact O-CB 3.33Å; Y289-L293 WeakPolarHBondContact O-CG 3.23Å; Y289-L293 PolarHBondContact O-N 2.7Å; Y289-I306 HydrophobicContact CD2-CD1 3.75Å; Y289-I306 HydrophobicContact CD2-CG2 3.86Å; Y289-I306 HydrophobicContact CE2-CB 4.39Å; Y289-I306 HydrophobicContact CE2-CD1 3.98Å; Y289-I306 HydrophobicContact CE2-CG2 3.89Å; Y289-I306 HydrophobicContact CG-CD1 4.44Å; Y289-C308 HydrophobicContact CE2-CB 4.1Å; Y289-F312 HydrophobicContact CD1-CB 3.5Å; Y289-F312 HydrophobicContact CD1-CD2 4.46Å; Y289-F312 HydrophobicContact CD1-CG 4.12Å; Y289-F312 HydrophobicContact CD2-CB 4.03Å; Y289-F312 AromaticContact CD2-CD2 3.56Å; Y289-F312 HydrophobicContact CD2-CD2 3.56Å; Y289-F312 HydrophobicContact CD2-CE2 4.38Å; Y289-F312 HydrophobicContact CD2-CG 4.05Å; Y289-F312 HydrophobicContact CE1-CB 3.72Å; Y289-F312 HydrophobicContact CE2-CB 4.25Å; Y289-F312 HydrophobicContact CE2-CD2 4.16Å; Y289-F312 HydrophobicContact CG-CB 3.66Å; Y289-F312 AromaticContact CG-CD2 3.74Å; Y289-F312 HydrophobicContact CG-CD2 3.74Å; Y289-F312 AromaticContact CG-CG 3.77Å; Y289-F312 HydrophobicContact CG-CG 3.77Å
290D97Very high96.6Very high58 Ų5845.4 Ų45.431%0.3123%0.228SC..Hα-helixtrans-67.1-33.7-179.6-71.1-37.2000111.2N286 R287 L293 S294 R313N286-D290 PolarHBondContact ND2-OD2 3.33Å; N286-D290 PolarHBondContact O-N 3.02Å; R287-D290 PolarHBondContact O-N 2.76Å; D290-L293 PolarHBondContact O-N 3.5Å; D290-S294 PolarHBondContact O-N 3.36Å; D290-S294 VanDerWaalsContact O-N 3.1Å; D290-R313 IonicContact OD1-CZ 3.25Å; D290-R313 IonicContact OD1-NH1 2.92Å; D290-R313 PolarHBondContact OD1-NH1 2.73Å; D290-R313 IonicContact OD1-NH2 3.99Å; D290-R313 PolarHBondContact OD1-NH2 2.95Å; D290-R313 IonicContact OD2-NH1 3.72Å; D290-R313 PolarHBondContact OD2-NH1 2.93Å
291G97.8Very high96.7Very high13 Ų1342.8 Ų42.813%0.13422%0.223CC..Hα-helixtrans-62-52.3171.700000112.5R287 A288 Y289 L293 S294 L295R287-G291 PolarHBondContact O-N 3.25Å; A288-G291 PolarHBondContact O-N 3.11Å; Y289-G291 VanDerWaalsContact C-N 3.29Å; Y289-G291 PolarHBondContact O-N 3.25Å; G291-L293 VanDerWaalsContact C-N 3.28Å; G291-L293 PolarHBondContact O-N 2.78Å; G291-S294 PolarHBondContact O-N 3.3Å; G291-S294 VanDerWaalsContact O-N 3.07Å; G291-S294 PolarHBondContact O-OG 3.26Å; G291-L295 WeakPolarHBondContact O-CG 3.42Å; G291-L295 PolarHBondContact O-N 3.01Å
292L97.6Very high96.8Very high1 Ų148.6 Ų48.61%0.00525%0.249CC..Hα-helixtrans-59.3-38.7176.2-76.7175000112.4A288 Y289 S294 L295 A304 I306 V322 F324 F408 L409 I412A288-L292 WeakPolarHBondContact O-CB 3.33Å; A288-L292 WeakPolarHBondContact O-CG 3.44Å; A288-L292 PolarHBondContact O-N 3.25Å; Y289-L292 PolarHBondContact O-N 2.92Å; L292-S294 VanDerWaalsContact C-N 3.27Å; L292-S294 PolarHBondContact O-N 2.72Å; L292-L295 HydrophobicContact CD2-CD1 4.37Å; L292-A304 HydrophobicContact CB-CB 4.15Å; L292-A304 HydrophobicContact CD2-CB 4.19Å; L292-I306 HydrophobicContact CB-CD1 3.69Å; L292-I306 HydrophobicContact CB-CG1 4.38Å; L292-I306 HydrophobicContact CD1-CD1 4.4Å; L292-V322 HydrophobicContact CD1-CG1 4.12Å; L292-F324 HydrophobicContact CD1-CD1 3.76Å; L292-F324 HydrophobicContact CD1-CD2 4.38Å; L292-F324 HydrophobicContact CD1-CE1 4.02Å; L292-F324 HydrophobicContact CD1-CG 3.97Å; L292-F324 HydrophobicContact CD1-CZ 4.43Å; L292-F408 HydrophobicContact CD1-CE1 3.96Å; L292-F408 HydrophobicContact CD1-CZ 4.11Å; L292-F408 HydrophobicContact CD2-CE1 3.96Å; L292-F408 HydrophobicContact CD2-CZ 4.03Å; L292-F408 HydrophobicContact CG-CE1 3.96Å; L292-F408 HydrophobicContact CG-CZ 4.35Å; L292-L409 HydrophobicContact CD2-CD2 4.47Å; L292-L409 HydrophobicContact CG-CD2 4.27Å; L292-I412 HydrophobicContact CD2-CG1 4.23Å; L292-I412 HydrophobicContact CD2-CG2 4.22Å
293L95.7Very high96.9Very high57 Ų5747.7 Ų47.730%0.29824%0.244SC..Hα-helixtrans-66.9-25.2176.5-80.6-175.2000114Y289 D290 G291 R296 I306Y289-L293 HydrophobicContact CD1-CD1 3.96Å; Y289-L293 HydrophobicContact CE1-CD1 3.28Å; Y289-L293 HydrophobicContact CE1-CG 4.22Å; Y289-L293 HydrophobicContact CE2-CD1 4.16Å; Y289-L293 HydrophobicContact CE2-CG 4.46Å; Y289-L293 VanDerWaalsContact CZ-CD1 3.4Å; Y289-L293 WeakPolarHBondContact O-CB 3.33Å; Y289-L293 WeakPolarHBondContact O-CG 3.23Å; Y289-L293 PolarHBondContact O-N 2.7Å; D290-L293 PolarHBondContact O-N 3.5Å; G291-L293 VanDerWaalsContact C-N 3.28Å; G291-L293 PolarHBondContact O-N 2.78Å; L293-R296 PolarHBondContact O-NH1 3.5Å; L293-R296 PolarHBondContact O-NH2 3.24Å; L293-I306 HydrophobicContact CD2-CD1 3.81Å; L293-I306 HydrophobicContact CD2-CG1 4.43Å; L293-I306 HydrophobicContact CG-CD1 3.71Å
294S97.1Very high96.9Very high80 Ų8043 Ų4356%0.55922%0.224SC*.Hα-helixtrans-84.8-23.8-177.375.70000112.7D290 G291 L292 R296D290-S294 PolarHBondContact O-N 3.36Å; D290-S294 VanDerWaalsContact O-N 3.1Å; G291-S294 PolarHBondContact O-N 3.3Å; G291-S294 VanDerWaalsContact O-N 3.07Å; G291-S294 PolarHBondContact O-OG 3.26Å; L292-S294 VanDerWaalsContact C-N 3.27Å; L292-S294 PolarHBondContact O-N 2.72Å; S294-R296 PolarHBondContact O-N 3.11Å; S294-R296 PolarHBondContact O-NH1 3Å
295L98.2Very high96.8Very high20 Ų2047.1 Ų47.111%0.10524%0.243CC..  trans-63.1132.9-177.6-64.8176.1000112.7G291 L292 V303 I412 E413 V417G291-L295 WeakPolarHBondContact O-CG 3.42Å; G291-L295 PolarHBondContact O-N 3.01Å; L292-L295 HydrophobicContact CD2-CD1 4.37Å; L295-V303 HydrophobicContact CB-CB 3.84Å; L295-V303 HydrophobicContact CB-CG1 4.37Å; L295-V303 HydrophobicContact CB-CG2 3.93Å; L295-V303 PolarHBondContact O-N 3.39Å; L295-I412 HydrophobicContact CD1-CB 4.13Å; L295-I412 HydrophobicContact CD1-CG2 3.54Å; L295-E413 HydrophobicContact CD2-CB 4.24Å; L295-E413 HydrophobicContact CD2-CG 4.31Å; L295-V417 HydrophobicContact CB-CG2 4.35Å; L295-V417 HydrophobicContact CD1-CG2 4.39Å; L295-V417 HydrophobicContact CD2-CG2 4.29Å
296R97.9Very high96.6Very high107 Ų10748.1 Ų48.140%0.40425%0.248SC..BIsolated β-bridgetrans-134.6141.6179.3-63.8-64.9179.2-81.3-7.1110.8L293 S294 G300 S301 V417L293-R296 PolarHBondContact O-NH1 3.5Å; L293-R296 PolarHBondContact O-NH2 3.24Å; S294-R296 PolarHBondContact O-N 3.11Å; S294-R296 PolarHBondContact O-NH1 3Å; R296-G300 WeakPolarHBondContact CD-O 3.4Å; R296-S301 VanDerWaalsContact CA-O 3.29Å; R296-S301 WeakPolarHBondContact CA-O 3.42Å; R296-S301 WeakPolarHBondContact CD-O 3.43Å; R296-V417 WeakPolarHBondContact O-CG1 3.48Å
297H96.5Very high96.2Very high6 Ų647 Ų473%0.02824%0.241CC..  trans-71169.5165.8-62.1-76.6000110.8N299 G300 S301 L327 F416 E418H297-N299 PolarHBondContact O-N 3.09Å; H297-N299 VanDerWaalsContact O-N 3.08Å; H297-G300 PolarHBondContact O-N 2.93Å; H297-S301 PolarHBondContact CD2-OG 3.38Å; H297-S301 VanDerWaalsContact CD2-OG 3.28Å; H297-S301 PolarHBondContact N-O 3.39Å; H297-L327 PolarHBondContact CE1-O 3.21Å; H297-L327 VanDerWaalsContact CE1-O 3.31Å; H297-L327 PolarHBondContact NE2-O 3.4Å; H297-F416 PolarHBondContact CE1-O 3.05Å; H297-E418 CarbonylContact C-O 3.42Å; H297-E418 WeakPolarHBondContact CA-O 3.29Å; H297-E418 PolarHBondContact ND1-N 2.9Å
298Y94.7Very high95.5Very high105 Ų10543.2 Ų43.241%0.41223%0.23SC..THydrogen-bonded Turntrans-52.6-30.9177.876.7-89.2000114.1G300 E418 K419 A420 P421Y298-G300 VanDerWaalsContact C-N 3.32Å; Y298-E418 HydrophobicContact CD1-CB 4.15Å; Y298-E418 PolarHBondContact N-O 3.01Å; Y298-K419 WeakPolarHBondContact CB-O 3.47Å; Y298-A420 VanDerWaalsContact CD1-C 3.45Å; Y298-A420 WeakPolarHBondContact CD1-O 3.42Å; Y298-P421 HydrophobicContact CD2-CG 4.12Å; Y298-P421 HydrophobicContact CE1-CB 4.44Å; Y298-P421 HydrophobicContact CE1-CG 4.49Å; Y298-P421 HydrophobicContact CE2-CB 4.22Å; Y298-P421 HydrophobicContact CE2-CG 3.55Å
299N95Very high94.3Very high78 Ų7847 Ų4742%0.41725%0.248SC..THydrogen-bonded Turntrans-897.5179.669.2-1000113.6H297 S301 S329H297-N299 PolarHBondContact O-N 3.09Å; H297-N299 VanDerWaalsContact O-N 3.08Å; N299-S301 VanDerWaalsContact C-N 3.27Å; N299-S301 PolarHBondContact O-N 3.31Å; N299-S301 VanDerWaalsContact OD1-CB 3.25Å; N299-S301 WeakPolarHBondContact OD1-CB 3.35Å; N299-S301 PolarHBondContact OD1-N 2.95Å; N299-S301 PolarHBondContact OD1-OG 2.92Å; N299-S329 PolarHBondContact ND2-O 3.12Å
300G96.6Very high93.2Very high50 Ų5046.4 Ų46.452%0.51525%0.247SC..SBendtrans77.93-18000000115R296 H297 Y298R296-G300 WeakPolarHBondContact CD-O 3.4Å; H297-G300 PolarHBondContact O-N 2.93Å; Y298-G300 VanDerWaalsContact C-N 3.32Å
301S97Very high92.5Very high35 Ų3550.7 Ų50.725%0.24526%0.263CS..  trans-71155.9172.365.10000111.7R296 H297 N299 S329R296-S301 VanDerWaalsContact CA-O 3.29Å; R296-S301 WeakPolarHBondContact CA-O 3.42Å; R296-S301 WeakPolarHBondContact CD-O 3.43Å; H297-S301 PolarHBondContact CD2-OG 3.38Å; H297-S301 VanDerWaalsContact CD2-OG 3.28Å; H297-S301 PolarHBondContact N-O 3.39Å; N299-S301 VanDerWaalsContact C-N 3.27Å; N299-S301 PolarHBondContact O-N 3.31Å; N299-S301 VanDerWaalsContact OD1-CB 3.25Å; N299-S301 WeakPolarHBondContact OD1-CB 3.35Å; N299-S301 PolarHBondContact OD1-N 2.95Å; N299-S301 PolarHBondContact OD1-OG 2.92Å; S301-S329 PolarHBondContact OG-O 3.26Å
302K97.6Very high91.9Very high124 Ų12450.1 Ų50.154%0.53926%0.257SS..BIsolated β-bridgetrans-75.6140.8-179.8-65-180-178.81770110.7
303V98Very high91.6Very high0 Ų056.9 Ų56.90%028%0.282CS..SBendtrans-86.5-32.7178.6175.20000111.9L295 L326 L327 I412 V417L295-V303 HydrophobicContact CB-CB 3.84Å; L295-V303 HydrophobicContact CB-CG1 4.37Å; L295-V303 HydrophobicContact CB-CG2 3.93Å; L295-V303 PolarHBondContact O-N 3.39Å; V303-L326 HydrophobicContact CG1-CD2 4.33Å; V303-L326 CarbonylContact O-C 3.53Å; V303-L326 VanDerWaalsContact O-CA 3.29Å; V303-L326 WeakPolarHBondContact O-CA 3.33Å; V303-L327 PolarHBondContact O-N 3.2Å; V303-I412 HydrophobicContact CG1-CG2 4.28Å; V303-V417 HydrophobicContact CB-CG2 4.39Å; V303-V417 HydrophobicContact CG1-CG2 3.91Å; V303-V417 HydrophobicContact CG2-CB 4.47Å; V303-V417 HydrophobicContact CG2-CG1 4.32Å; V303-V417 HydrophobicContact CG2-CG2 3.76Å
304A97.2Very high91.4Very high5 Ų555.5 Ų55.54%0.04128%0.277CS..EExtended strand (participates in β ladder)trans-123.1136.5-176.500000112L292 I306 L326L292-A304 HydrophobicContact CB-CB 4.15Å; L292-A304 HydrophobicContact CD2-CB 4.19Å; A304-I306 HydrophobicContact CB-CG1 4.41Å; A304-L326 HydrophobicContact CB-CD2 3.99Å
305H94.5Very high90.9Very high86 Ų8653.8 Ų53.840%0.39826%0.264SS..EExtended strand (participates in β ladder)trans-103.4110.1163.9-177.1-113.6000108.6Y307 F324 N325 L327 W333H305-Y307 AromaticContact CE1-CD1 3.97Å; H305-Y307 AromaticContact CE1-CE1 3.5Å; H305-Y307 AromaticContact ND1-CE1 3.38Å; H305-Y307 WeakPolarHBondContact ND1-CE1 3.17Å; H305-Y307 AromaticContact ND1-CZ 3.56Å; H305-F324 CarbonylContact O-C 3.58Å; H305-F324 WeakPolarHBondContact O-CA 3.26Å; H305-F324 WeakPolarHBondContact O-CB 3.41Å; H305-N325 PolarHBondContact N-O 3.16Å; H305-N325 PolarHBondContact O-N 2.97Å; H305-L327 HydrophobicContact CB-CD1 4.41Å; H305-W333 HydrophobicContact CB-CH2 3.87Å; H305-W333 HydrophobicContact CB-CZ3 3.8Å; H305-W333 AromaticContact CG-CH2 3.93Å; H305-W333 AromaticContact ND1-CH2 3.78Å
306I92.7Very high90.2Very high21 Ų2159.5 Ų59.511%0.10829%0.294CS..EExtended strand (participates in β ladder)trans-98.2129.4-175.9-51.3179.4000109.7Y289 L292 L293 A304 C308 V322 A323 F324Y289-I306 HydrophobicContact CD2-CD1 3.75Å; Y289-I306 HydrophobicContact CD2-CG2 3.86Å; Y289-I306 HydrophobicContact CE2-CB 4.39Å; Y289-I306 HydrophobicContact CE2-CD1 3.98Å; Y289-I306 HydrophobicContact CE2-CG2 3.89Å; Y289-I306 HydrophobicContact CG-CD1 4.44Å; L292-I306 HydrophobicContact CB-CD1 3.69Å; L292-I306 HydrophobicContact CB-CG1 4.38Å; L292-I306 HydrophobicContact CD1-CD1 4.4Å; L293-I306 HydrophobicContact CD2-CD1 3.81Å; L293-I306 HydrophobicContact CD2-CG1 4.43Å; L293-I306 HydrophobicContact CG-CD1 3.71Å; A304-I306 HydrophobicContact CB-CG1 4.41Å; I306-C308 HydrophobicContact CG2-CB 4.14Å; I306-C308 PolarHBondContact O-N 3.16Å; I306-V322 HydrophobicContact CG2-CG1 3.86Å; I306-A323 WeakPolarHBondContact CG2-O 3.04Å; I306-F324 HydrophobicContact CG1-CB 4.22Å
307Y88.2Confident89.6Confident13 Ų1359.1 Ų59.15%0.05130%0.297CS..  trans-85.686.6175.2-53.9-74.9000109.4F151 C152 H305 A323 N325 A364 L365 A391F151-Y307 HydrophobicContact CE1-CD2 4.03Å; F151-Y307 AromaticContact CE1-CG 3.98Å; F151-Y307 HydrophobicContact CE1-CG 3.98Å; F151-Y307 HydrophobicContact CZ-CD2 4.35Å; C152-Y307 WeakPolarHBondContact CB-O 3.43Å; H305-Y307 AromaticContact CE1-CD1 3.97Å; H305-Y307 AromaticContact CE1-CE1 3.5Å; H305-Y307 AromaticContact ND1-CE1 3.38Å; H305-Y307 WeakPolarHBondContact ND1-CE1 3.17Å; H305-Y307 AromaticContact ND1-CZ 3.56Å; Y307-A323 HydrophobicContact CD2-CB 4.26Å; Y307-A323 PolarHBondContact N-O 3.39Å; Y307-N325 HydrophobicContact CE2-CB 4.33Å; Y307-N325 WeakPolarHBondContact CE2-OD1 3.41Å; Y307-N325 PolarHBondContact OH-OD1 3.34Å; Y307-A364 HydrophobicContact CD1-CB 3.76Å; Y307-A364 HydrophobicContact CE1-CB 4.17Å; Y307-A364 VanDerWaalsContact CE1-O 3.23Å; Y307-A364 WeakPolarHBondContact CE1-O 3.47Å; Y307-A364 HydrophobicContact CG-CB 4.2Å; Y307-L365 HydrophobicContact CE1-CD2 3.87Å; Y307-L365 HydrophobicContact CE2-CD2 4.2Å; Y307-L365 VanDerWaalsContact CZ-CD2 3.46Å; Y307-L365 WeakPolarHBondContact OH-CD2 3.45Å; Y307-A391 HydrophobicContact CD2-CB 4.36Å; Y307-A391 HydrophobicContact CE2-CB 4Å
308C81Confident89.2Confident26 Ų2658.9 Ų58.918%0.17630%0.296CS..  trans-158131177.4-1790000111.6Y289 I306 S310Y289-C308 HydrophobicContact CE2-CB 4.1Å; I306-C308 HydrophobicContact CG2-CB 4.14Å; I306-C308 PolarHBondContact O-N 3.16Å; C308-S310 PolarHBondContact SG-OG 2.97Å
309E72.5Confident89Confident79 Ų7954.1 Ų54.137%0.36928%0.279SS..SBendtrans-104.5-22.8175.7-69.7171.5-157.700114.5A145 L146 T147 R154 K311A145-E309 VanDerWaalsContact C-OE1 3.28Å; L146-E309 WeakPolarHBondContact CA-OE1 3.34Å; L146-E309 VanDerWaalsContact CA-OE2 3.31Å; L146-E309 WeakPolarHBondContact CA-OE2 3.42Å; L146-E309 PolarHBondContact N-OE1 3.17Å; T147-E309 PolarHBondContact N-OE1 3.29Å; T147-E309 VanDerWaalsContact N-OE1 3.11Å; R154-E309 IonicContact CZ-OE2 2.7Å; R154-E309 IonicContact NH1-OE2 3.98Å; R154-E309 PolarHBondContact NH1-OE2 3.27Å; E309-K311 PolarHBondContact O-N 2.9Å
310S75.1Confident88.8Confident11 Ų1150.7 Ų50.78%0.07726%0.262CS..SBendtrans-65.3-3.7-178.368.60000113.1C308 F312 Q318C308-S310 PolarHBondContact SG-OG 2.97Å; S310-F312 PolarHBondContact O-N 3.5Å; S310-F312 PolarHBondContact OG-N 3.32Å; S310-Q318 PolarHBondContact OG-OE1 2.97Å
311K80.5Confident88.7Confident147 Ų14749 Ų4964%0.63924%0.241SC*.THydrogen-bonded Turntrans55.110.3-171.1-57.3179.5-179.9176.90113.6E309 R313E309-K311 PolarHBondContact O-N 2.9Å; K311-R313 VanDerWaalsContact C-N 3.33Å; K311-R313 HydrophobicContact CB-CG 4.17Å; K311-R313 WeakPolarHBondContact O-CG 3.12Å; K311-R313 VanDerWaalsContact O-CZ 3.31Å; K311-R313 PolarHBondContact O-N 3.29Å; K311-R313 PolarHBondContact O-NE 3.22Å; K311-R313 PolarHBondContact O-NH1 3.47Å
312F86.5Confident88.5Confident1 Ų147.3 Ų47.30%0.00423%0.23CC..THydrogen-bonded Turntrans57.438.6177.5-121.8-74.5000114F282 A285 N286 Y289 S310 Q318 T321 V322F282-F312 HydrophobicContact CD2-CD1 4.24Å; F282-F312 HydrophobicContact CD2-CE1 4.13Å; F282-F312 AromaticContact CE2-CD1 3.73Å; F282-F312 HydrophobicContact CE2-CD1 3.73Å; F282-F312 HydrophobicContact CE2-CE1 4.09Å; F282-F312 HydrophobicContact CZ-CD1 4.46Å; F282-F312 WeakPolarHBondContact CZ-O 3.4Å; A285-F312 VanDerWaalsContact C-CE1 3.5Å; A285-F312 HydrophobicContact CB-CE1 3.47Å; A285-F312 VanDerWaalsContact CB-CE1 3.47Å; A285-F312 HydrophobicContact CB-CZ 3.6Å; N286-F312 HydrophobicContact CB-CD1 3.85Å; N286-F312 HydrophobicContact CB-CE1 4.4Å; N286-F312 PolarHBondContact ND2-O 3.28Å; N286-F312 VanDerWaalsContact ND2-O 3.13Å; Y289-F312 HydrophobicContact CD1-CB 3.5Å; Y289-F312 HydrophobicContact CD1-CD2 4.46Å; Y289-F312 HydrophobicContact CD1-CG 4.12Å; Y289-F312 HydrophobicContact CD2-CB 4.03Å; Y289-F312 AromaticContact CD2-CD2 3.56Å; Y289-F312 HydrophobicContact CD2-CD2 3.56Å; Y289-F312 HydrophobicContact CD2-CE2 4.38Å; Y289-F312 HydrophobicContact CD2-CG 4.05Å; Y289-F312 HydrophobicContact CE1-CB 3.72Å; Y289-F312 HydrophobicContact CE2-CB 4.25Å; Y289-F312 HydrophobicContact CE2-CD2 4.16Å; Y289-F312 HydrophobicContact CG-CB 3.66Å; Y289-F312 AromaticContact CG-CD2 3.74Å; Y289-F312 HydrophobicContact CG-CD2 3.74Å; Y289-F312 AromaticContact CG-CG 3.77Å; Y289-F312 HydrophobicContact CG-CG 3.77Å; S310-F312 PolarHBondContact O-N 3.5Å; S310-F312 PolarHBondContact OG-N 3.32Å; F312-Q318 HydrophobicContact CD1-CG 3.65Å; F312-Q318 HydrophobicContact CD2-CG 3.61Å; F312-Q318 HydrophobicContact CE1-CG 3.43Å; F312-Q318 VanDerWaalsContact CE1-CG 3.43Å; F312-Q318 VanDerWaalsContact CE2-CD 3.44Å; F312-Q318 HydrophobicContact CE2-CG 3.38Å; F312-Q318 HydrophobicContact CG-CG 3.73Å; F312-Q318 HydrophobicContact CZ-CG 3.29Å; F312-T321 WeakPolarHBondContact CE2-O 3.43Å; F312-T321 VanDerWaalsContact CZ-O 3.29Å; F312-T321 WeakPolarHBondContact CZ-O 3.36Å; F312-V322 HydrophobicContact CE2-CG2 3.84Å; F312-V322 HydrophobicContact CZ-CG2 3.84Å
313R91.7Very high88.3Confident144 Ų14441.4 Ų41.454%0.54320%0.204SC..  trans-108.2-11.6-175.8-58.3-53.5175.2-127.95.4115.8N286 D290 K311N286-R313 PolarHBondContact ND2-NH1 3.28Å; D290-R313 IonicContact OD1-CZ 3.25Å; D290-R313 IonicContact OD1-NH1 2.92Å; D290-R313 PolarHBondContact OD1-NH1 2.73Å; D290-R313 IonicContact OD1-NH2 3.99Å; D290-R313 PolarHBondContact OD1-NH2 2.95Å; D290-R313 IonicContact OD2-NH1 3.72Å; D290-R313 PolarHBondContact OD2-NH1 2.93Å; K311-R313 VanDerWaalsContact C-N 3.33Å; K311-R313 HydrophobicContact CB-CG 4.17Å; K311-R313 WeakPolarHBondContact O-CG 3.12Å; K311-R313 VanDerWaalsContact O-CZ 3.31Å; K311-R313 PolarHBondContact O-N 3.29Å; K311-R313 PolarHBondContact O-NE 3.22Å; K311-R313 PolarHBondContact O-NH1 3.47Å
314S90Very high88.2Confident28 Ų2841.4 Ų41.420%0.19620%0.204CC..  trans-132.1127.8-179.7178.30000111.7L316 E317 Q318S314-L316 PolarHBondContact O-N 3.5Å; S314-L316 WeakPolarHBondContact OG-CB 3.38Å; S314-L316 PolarHBondContact OG-N 3.35Å; S314-L316 VanDerWaalsContact OG-N 3.16Å; S314-E317 PolarHBondContact O-N 3.23Å; S314-E317 VanDerWaalsContact O-N 3.13Å; S314-Q318 PolarHBondContact O-N 3.46Å
315P87.4Confident88.1Confident43 Ų4341.2 Ų41.228%0.27920%0.202SC..THydrogen-bonded Turntrans-65.7-13.9171.428.1-34.3000112.3R155 F282R155-P315 VanDerWaalsContact CZ-O 3.28Å; R155-P315 PolarHBondContact NH1-O 2.82Å; F282-P315 HydrophobicContact CB-CB 3.88Å; F282-P315 HydrophobicContact CD1-CB 3.86Å; F282-P315 HydrophobicContact CD1-CG 4.27Å; F282-P315 HydrophobicContact CD2-CB 4.13Å; F282-P315 HydrophobicContact CE1-CB 4.48Å; F282-P315 HydrophobicContact CG-CB 3.66Å
316L83.7Confident88.2Confident140 Ų14037.2 Ų37.273%0.73318%0.184SC*.THydrogen-bonded Turntrans-77.4-28.1174.8-62.3175.2000112.3R155 S314R155-L316 WeakPolarHBondContact CB-O 3.4Å; S314-L316 PolarHBondContact O-N 3.5Å; S314-L316 WeakPolarHBondContact OG-CB 3.38Å; S314-L316 PolarHBondContact OG-N 3.35Å; S314-L316 VanDerWaalsContact OG-N 3.16Å
317E85.4Confident88.3Confident99 Ų9937.6 Ų37.646%0.46319%0.186SC..THydrogen-bonded Turntrans-102.3-18.1-175.9-62.1180174.100112.5R154 R155 S314R154-E317 CarbonylContact C-O 3.38Å; R154-E317 WeakPolarHBondContact CA-O 3.35Å; R154-E317 WeakPolarHBondContact CG-O 3.46Å; R155-E317 PolarHBondContact N-O 3.49Å; S314-E317 PolarHBondContact O-N 3.23Å; S314-E317 VanDerWaalsContact O-N 3.13Å
318Q88.6Confident88.4Confident1 Ų138.6 Ų38.61%0.00519%0.19CC..BIsolated β-bridgetrans-140.6132.1-171.8-170.563.14000111.3C152 G153 F282 S310 F312 S314 T321C152-Q318 PolarHBondContact O-NE2 3.06Å; G153-Q318 PolarHBondContact O-NE2 2.81Å; F282-Q318 HydrophobicContact CD2-CB 4.31Å; F282-Q318 WeakPolarHBondContact CD2-O 3.43Å; F282-Q318 HydrophobicContact CE2-CB 4.03Å; F282-Q318 HydrophobicContact CE2-CG 4.41Å; S310-Q318 PolarHBondContact OG-OE1 2.97Å; F312-Q318 HydrophobicContact CD1-CG 3.65Å; F312-Q318 HydrophobicContact CD2-CG 3.61Å; F312-Q318 HydrophobicContact CE1-CG 3.43Å; F312-Q318 VanDerWaalsContact CE1-CG 3.43Å; F312-Q318 VanDerWaalsContact CE2-CD 3.44Å; F312-Q318 HydrophobicContact CE2-CG 3.38Å; F312-Q318 HydrophobicContact CG-CG 3.73Å; F312-Q318 HydrophobicContact CZ-CG 3.29Å; S314-Q318 PolarHBondContact O-N 3.46Å; Q318-T321 PolarHBondContact NE2-O 2.81Å
319G89Confident88.9Confident6 Ų638 Ų386%0.06219%0.186CC..  trans-91-158.9174.300000113G153 T321G153-G319 PolarHBondContact O-N 3.44Å; G319-T321 VanDerWaalsContact C-N 3.28Å; G319-T321 PolarHBondContact O-N 3.49Å
320G92.5Very high89.7Confident5 Ų538.5 Ų38.55%0.05219%0.191CC..SBendtrans-82.914.8-175.600000116.2S395 F396G320-S395 CarbonylContact O-C 3.51Å; G320-S395 VanDerWaalsContact O-CA 3.22Å; G320-S395 WeakPolarHBondContact O-CA 3.41Å; G320-F396 WeakPolarHBondContact O-CD2 3.32Å; G320-F396 PolarHBondContact O-N 2.54Å
321T93Very high90.5Very high14 Ų1440.1 Ų40.19%0.08621%0.21CC..EExtended strand (participates in β ladder)trans-112.9140.7-170.1-53.70000111.1F312 Q318 G319 R393 I394F312-T321 WeakPolarHBondContact CE2-O 3.43Å; F312-T321 VanDerWaalsContact CZ-O 3.29Å; F312-T321 WeakPolarHBondContact CZ-O 3.36Å; Q318-T321 PolarHBondContact NE2-O 2.81Å; G319-T321 VanDerWaalsContact C-N 3.28Å; G319-T321 PolarHBondContact O-N 3.49Å; T321-R393 HydrophobicContact CG2-CG 3.46Å; T321-R393 VanDerWaalsContact CG2-CG 3.46Å; T321-I394 WeakPolarHBondContact CA-O 3.3Å
322V94.2Very high90.9Very high1 Ų139.9 Ų39.91%0.00621%0.205CC..EExtended strand (participates in β ladder)trans-129.9120.1172.6-171.30000108.2A285 L292 I306 F312 F324 R393 I394A285-V322 HydrophobicContact CB-CG2 4.32Å; L292-V322 HydrophobicContact CD1-CG1 4.12Å; I306-V322 HydrophobicContact CG2-CG1 3.86Å; F312-V322 HydrophobicContact CE2-CG2 3.84Å; F312-V322 HydrophobicContact CZ-CG2 3.84Å; V322-F324 HydrophobicContact CG1-CD1 4.43Å; V322-R393 WeakPolarHBondContact O-CA 3.47Å; V322-I394 HydrophobicContact CB-CD1 4.22Å; V322-I394 HydrophobicContact CB-CG1 3.82Å; V322-I394 HydrophobicContact CG2-CD1 4.49Å; V322-I394 HydrophobicContact CG2-CG1 4.43Å; V322-I394 PolarHBondContact N-O 3.1Å; V322-I394 PolarHBondContact O-N 2.82Å
323A92.9Very high91.1Very high0 Ų043 Ų430%022%0.217CC..EExtended strand (participates in β ladder)trans-106.6135.4173.300000110.3F151 C152 I306 Y307 F355 V392F151-A323 HydrophobicContact CD1-CB 4.07Å; F151-A323 HydrophobicContact CE1-CB 3.93Å; F151-A323 WeakPolarHBondContact O-CB 3.3Å; C152-A323 HydrophobicContact CB-CB 4.44Å; I306-A323 WeakPolarHBondContact CG2-O 3.04Å; Y307-A323 HydrophobicContact CD2-CB 4.26Å; Y307-A323 PolarHBondContact N-O 3.39Å; A323-F355 HydrophobicContact CB-CE2 4.45Å; A323-V392 CarbonylContact C-O 3.51Å; A323-V392 WeakPolarHBondContact CA-O 2.79Å
324F94.8Very high91Very high0 Ų036.3 Ų36.30%019%0.192CC..EExtended strand (participates in β ladder)trans-156.6162.7-176.264.8-81.5000112L292 H305 I306 V322 L326 V392 I394 F408 I412L292-F324 HydrophobicContact CD1-CD1 3.76Å; L292-F324 HydrophobicContact CD1-CD2 4.38Å; L292-F324 HydrophobicContact CD1-CE1 4.02Å; L292-F324 HydrophobicContact CD1-CG 3.97Å; L292-F324 HydrophobicContact CD1-CZ 4.43Å; H305-F324 CarbonylContact O-C 3.58Å; H305-F324 WeakPolarHBondContact O-CA 3.26Å; H305-F324 WeakPolarHBondContact O-CB 3.41Å; I306-F324 HydrophobicContact CG1-CB 4.22Å; V322-F324 HydrophobicContact CG1-CD1 4.43Å; F324-L326 HydrophobicContact CD2-CD2 3.74Å; F324-L326 HydrophobicContact CD2-CG 4.16Å; F324-L326 HydrophobicContact CE2-CD1 4.49Å; F324-L326 HydrophobicContact CE2-CD2 3.7Å; F324-L326 HydrophobicContact CE2-CG 3.96Å; F324-V392 HydrophobicContact CD2-CB 4.42Å; F324-V392 HydrophobicContact CE1-CB 4.16Å; F324-V392 HydrophobicContact CE1-CG1 3.83Å; F324-V392 HydrophobicContact CE2-CB 4.02Å; F324-V392 HydrophobicContact CE2-CG1 4.06Å; F324-V392 HydrophobicContact CZ-CB 3.86Å; F324-V392 HydrophobicContact CZ-CG1 3.46Å; F324-V392 VanDerWaalsContact CZ-CG1 3.46Å; F324-V392 PolarHBondContact N-O 2.95Å; F324-V392 WeakPolarHBondContact O-CB 3.32Å; F324-V392 PolarHBondContact O-N 2.74Å; F324-V392 VanDerWaalsContact O-O 3.14Å; F324-I394 HydrophobicContact CE1-CG1 4.16Å; F324-I394 HydrophobicContact CE1-CG2 4.24Å; F324-F408 HydrophobicContact CE1-CE2 4.37Å; F324-F408 AromaticContact CE1-CZ 3.8Å; F324-F408 HydrophobicContact CE1-CZ 3.8Å; F324-F408 HydrophobicContact CE2-CZ 4.44Å; F324-F408 AromaticContact CZ-CE2 3.91Å; F324-F408 HydrophobicContact CZ-CE2 3.91Å; F324-F408 AromaticContact CZ-CZ 3.53Å; F324-F408 HydrophobicContact CZ-CZ 3.53Å; F324-I412 HydrophobicContact CE2-CD1 4.38Å
325N95.3Very high90.9Very high1 Ų135.3 Ų35.31%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-122155.1160.7-80.478.8000108.5H305 Y307 W333 G390 A391H305-N325 PolarHBondContact N-O 3.16Å; H305-N325 PolarHBondContact O-N 2.97Å; Y307-N325 HydrophobicContact CE2-CB 4.33Å; Y307-N325 WeakPolarHBondContact CE2-OD1 3.41Å; Y307-N325 PolarHBondContact OH-OD1 3.34Å; N325-W333 HydrophobicContact CB-CE3 3.62Å; N325-W333 HydrophobicContact CB-CZ3 3.47Å; N325-W333 VanDerWaalsContact CB-CZ3 3.47Å; N325-G390 PolarHBondContact ND2-O 3.41Å; N325-G390 PolarHBondContact OD1-O 2.96Å; N325-A391 VanDerWaalsContact OD1-CA 3.27Å; N325-A391 WeakPolarHBondContact OD1-CA 2.86Å; N325-A391 WeakPolarHBondContact OD1-CB 3.12Å
326L96.6Very high91Very high1 Ų133.8 Ų33.81%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-98.6150.1176.6-57175.5000110.5V303 A304 F324 V334 V339 I412 F416V303-L326 HydrophobicContact CG1-CD2 4.33Å; V303-L326 CarbonylContact O-C 3.53Å; V303-L326 VanDerWaalsContact O-CA 3.29Å; V303-L326 WeakPolarHBondContact O-CA 3.33Å; A304-L326 HydrophobicContact CB-CD2 3.99Å; F324-L326 HydrophobicContact CD2-CD2 3.74Å; F324-L326 HydrophobicContact CD2-CG 4.16Å; F324-L326 HydrophobicContact CE2-CD1 4.49Å; F324-L326 HydrophobicContact CE2-CD2 3.7Å; F324-L326 HydrophobicContact CE2-CG 3.96Å; L326-V334 HydrophobicContact CB-CB 3.87Å; L326-V334 HydrophobicContact CB-CG1 4.47Å; L326-V334 HydrophobicContact CB-CG2 3.93Å; L326-V334 PolarHBondContact O-N 3.42Å; L326-V339 HydrophobicContact CD1-CG2 3.82Å; L326-I412 HydrophobicContact CD1-CD1 3.92Å; L326-I412 HydrophobicContact CD1-CG2 4.49Å; L326-I412 HydrophobicContact CD2-CD1 4.5Å; L326-I412 HydrophobicContact CD2-CG2 4.13Å; L326-F416 HydrophobicContact CD1-CB 3.87Å; L326-F416 HydrophobicContact CD1-CD1 3.98Å; L326-F416 HydrophobicContact CD1-CD2 3.56Å; L326-F416 HydrophobicContact CD1-CE1 4.48Å; L326-F416 HydrophobicContact CD1-CE2 4.1Å; L326-F416 HydrophobicContact CD1-CG 3.5Å; L326-F416 VanDerWaalsContact CD1-CG 3.5Å
327L94.9Very high91.1Very high30 Ų3028 Ų2816%0.15715%0.146CC..BIsolated β-bridgetrans-114.6152.1177.5-66.9166.6000108.8H297 V303 H305 R332 W333H297-L327 PolarHBondContact CE1-O 3.21Å; H297-L327 VanDerWaalsContact CE1-O 3.31Å; H297-L327 PolarHBondContact NE2-O 3.4Å; V303-L327 PolarHBondContact O-N 3.2Å; H305-L327 HydrophobicContact CB-CD1 4.41Å; L327-R332 CarbonylContact C-O 3.47Å; L327-R332 WeakPolarHBondContact CA-O 3.18Å; L327-W333 HydrophobicContact CD2-CD2 3.77Å; L327-W333 HydrophobicContact CD2-CE3 3.51Å; L327-W333 HydrophobicContact CD2-CG 4.47Å; L327-W333 HydrophobicContact CD2-CH2 4.02Å; L327-W333 HydrophobicContact CD2-CZ2 4.24Å; L327-W333 HydrophobicContact CD2-CZ3 3.63Å; L327-W333 HydrophobicContact CG-CE3 4.23Å; L327-W333 HydrophobicContact CG-CZ3 4.1Å
328R91Very high91.1Very high33 Ų3323.6 Ų23.613%0.12513%0.125CC..  trans-88167165.9-64-170.6-179.1-78.2-6.4109.8D330 G331 R332 V334 E338 E418 H639R328-D330 PolarHBondContact O-N 3.07Å; R328-D330 VanDerWaalsContact O-N 3.1Å; R328-G331 PolarHBondContact O-N 3.1Å; R328-R332 PolarHBondContact N-O 3.33Å; R328-V334 HydrophobicContact CG-CG2 3.86Å; R328-E338 IonicContact CZ-OE1 2.71Å; R328-E338 IonicContact NH1-OE1 2.84Å; R328-E338 IonicContact NH2-OE1 3.02Å; R328-E338 PolarHBondContact NH2-OE1 3.45Å; R328-E338 IonicContact NH2-OE2 3.95Å; R328-E338 PolarHBondContact NH2-OE2 2.61Å; R328-E418 WeakPolarHBondContact CA-OE1 3.49Å; R328-E418 WeakPolarHBondContact CB-OE1 3.49Å; R328-H639 PolarHBondContact NH1-NE2 2.87Å; R328-H639 PolarHBondContact NH2-CE1 3.36Å; R328-H639 VanDerWaalsContact NH2-CE1 3.32Å; R328-H639 PolarHBondContact NH2-NE2 3.2Å
329S91.8Very high91.3Very high14 Ų1423.6 Ų23.610%0.09813%0.125CC..THydrogen-bonded Turntrans-60.1-24.4179.968.30000113.6N299 S301 E418N299-S329 PolarHBondContact ND2-O 3.12Å; S301-S329 PolarHBondContact OG-O 3.26Å; S329-E418 WeakPolarHBondContact CB-OE2 3.39Å; S329-E418 PolarHBondContact N-OE1 3.48Å; S329-E418 PolarHBondContact OG-OE2 3.31Å
330D89.3Confident91.4Very high90 Ų9026.8 Ų26.848%0.48114%0.141SC..THydrogen-bonded Turntrans-89.63.4176.366.314.3000114.4R328 R332R328-D330 PolarHBondContact O-N 3.07Å; R328-D330 VanDerWaalsContact O-N 3.1Å; D330-R332 VanDerWaalsContact C-N 3.35Å; D330-R332 VanDerWaalsContact CG-NE 3.33Å; D330-R332 VanDerWaalsContact OD1-CB 3.29Å; D330-R332 WeakPolarHBondContact OD1-CB 3.23Å; D330-R332 WeakPolarHBondContact OD1-CG 3.41Å; D330-R332 PolarHBondContact OD1-N 2.9Å; D330-R332 IonicContact OD1-NE 2.98Å; D330-R332 PolarHBondContact OD1-NE 3.26Å; D330-R332 IonicContact OD1-NH2 3.73Å; D330-R332 IonicContact OD2-CZ 2.88Å; D330-R332 IonicContact OD2-NE 3.88Å; D330-R332 PolarHBondContact OD2-NE 2.82Å; D330-R332 IonicContact OD2-NH2 3.52Å; D330-R332 PolarHBondContact OD2-NH2 2.99Å
331G90.8Very high90.9Very high45 Ų4528.3 Ų28.346%0.46415%0.145SC..SBendtrans84.4-1.2178.600000115.2R328R328-G331 PolarHBondContact O-N 3.1Å
332R89.8Confident90.8Very high141 Ų14127.7 Ų27.753%0.53214%0.141SC..PPolyproline II helixtrans-69.1149.3171.2-67.8-177.6-68.4146.22.8110.8L327 R328 D330L327-R332 CarbonylContact C-O 3.47Å; L327-R332 WeakPolarHBondContact CA-O 3.18Å; R328-R332 PolarHBondContact N-O 3.33Å; D330-R332 VanDerWaalsContact C-N 3.35Å; D330-R332 VanDerWaalsContact CG-NE 3.33Å; D330-R332 VanDerWaalsContact OD1-CB 3.29Å; D330-R332 WeakPolarHBondContact OD1-CB 3.23Å; D330-R332 WeakPolarHBondContact OD1-CG 3.41Å; D330-R332 PolarHBondContact OD1-N 2.9Å; D330-R332 IonicContact OD1-NE 2.98Å; D330-R332 PolarHBondContact OD1-NE 3.26Å; D330-R332 IonicContact OD1-NH2 3.73Å; D330-R332 IonicContact OD2-CZ 2.88Å; D330-R332 IonicContact OD2-NE 3.88Å; D330-R332 PolarHBondContact OD2-NE 2.82Å; D330-R332 IonicContact OD2-NH2 3.52Å; D330-R332 PolarHBondContact OD2-NH2 2.99Å
333W91Very high90.6Very high68 Ų6827.7 Ų27.726%0.25814%0.141SC..BIsolated β-bridgetrans-74.1142.7176.6-62.697.3000112.1H305 N325 L327 V383 G386 P388H305-W333 HydrophobicContact CB-CH2 3.87Å; H305-W333 HydrophobicContact CB-CZ3 3.8Å; H305-W333 AromaticContact CG-CH2 3.93Å; H305-W333 AromaticContact ND1-CH2 3.78Å; N325-W333 HydrophobicContact CB-CE3 3.62Å; N325-W333 HydrophobicContact CB-CZ3 3.47Å; N325-W333 VanDerWaalsContact CB-CZ3 3.47Å; L327-W333 HydrophobicContact CD2-CD2 3.77Å; L327-W333 HydrophobicContact CD2-CE3 3.51Å; L327-W333 HydrophobicContact CD2-CG 4.47Å; L327-W333 HydrophobicContact CD2-CH2 4.02Å; L327-W333 HydrophobicContact CD2-CZ2 4.24Å; L327-W333 HydrophobicContact CD2-CZ3 3.63Å; L327-W333 HydrophobicContact CG-CE3 4.23Å; L327-W333 HydrophobicContact CG-CZ3 4.1Å; W333-V383 HydrophobicContact CB-CG2 4.22Å; W333-G386 PolarHBondContact NE1-O 2.85Å; W333-P388 HydrophobicContact CD2-CG 3.98Å; W333-P388 HydrophobicContact CE3-CG 4.37Å; W333-P388 HydrophobicContact CG-CG 4.28Å; W333-P388 HydrophobicContact CZ2-CG 4.42Å
334V89.6Confident90.3Very high3 Ų329 Ų292%0.01816%0.155CC..PPolyproline II helixtrans-85.1129.1163179.40000108L326 R328 E338 V339 F416L326-V334 HydrophobicContact CB-CB 3.87Å; L326-V334 HydrophobicContact CB-CG1 4.47Å; L326-V334 HydrophobicContact CB-CG2 3.93Å; L326-V334 PolarHBondContact O-N 3.42Å; R328-V334 HydrophobicContact CG-CG2 3.86Å; V334-E338 HydrophobicContact CG1-CB 4.43Å; V334-E338 HydrophobicContact CG1-CG 3.9Å; V334-E338 WeakPolarHBondContact CG1-OE1 3.16Å; V334-V339 HydrophobicContact CG1-CG2 3.82Å; V334-F416 HydrophobicContact CG1-CD1 3.96Å; V334-F416 HydrophobicContact CG1-CE1 3.8Å; V334-F416 HydrophobicContact CG2-CD1 4.45Å
335G87.3Confident89.7Confident6 Ų629.2 Ų29.26%0.06216%0.157CC..PPolyproline II helixtrans-64.8138.5175.600000111.5S337 E338 V339 D382G335-S337 PolarHBondContact O-N 3.45Å; G335-E338 WeakPolarHBondContact O-CB 3.35Å; G335-E338 PolarHBondContact O-N 2.9Å; G335-V339 PolarHBondContact O-N 3.11Å; G335-D382 WeakPolarHBondContact CA-OD1 2.98Å; G335-D382 WeakPolarHBondContact CA-OD2 3.16Å
336F90.2Very high89.5Confident12 Ų1231.3 Ų31.35%0.05317%0.165CC..Hα-helixtrans-65.8-22.8179.261.9-107.9000112.6E338 V339 D340 T352 D382 V392F336-E338 VanDerWaalsContact C-N 3.34Å; F336-V339 PolarHBondContact O-N 3.12Å; F336-D340 WeakPolarHBondContact O-CB 3.34Å; F336-D340 PolarHBondContact O-N 2.73Å; F336-T352 HydrophobicContact CB-CG2 4.02Å; F336-T352 VanDerWaalsContact CD2-CB 3.47Å; F336-T352 HydrophobicContact CD2-CG2 4.21Å; F336-T352 HydrophobicContact CG-CG2 4.48Å; F336-D382 HydrophobicContact CD1-CB 3.56Å; F336-D382 HydrophobicContact CD2-CB 4.09Å; F336-D382 HydrophobicContact CE1-CB 3.15Å; F336-D382 HydrophobicContact CE2-CB 3.74Å; F336-D382 HydrophobicContact CG-CB 3.98Å; F336-D382 HydrophobicContact CZ-CB 3.22Å; F336-D382 PolarHBondContact N-OD2 2.75Å; F336-V392 HydrophobicContact CB-CG2 3.77Å
337S84.5Confident89.1Confident18 Ų1833.4 Ų33.413%0.12618%0.176CC..Hα-helixtrans-71.3-33.9177.1-44.60000111.1G335 R341 D382G335-S337 PolarHBondContact O-N 3.45Å; S337-R341 VanDerWaalsContact O-CB 3.31Å; S337-R341 WeakPolarHBondContact O-CB 3.18Å; S337-R341 PolarHBondContact O-N 2.62Å; S337-D382 WeakPolarHBondContact CA-OD2 2.85Å; S337-D382 WeakPolarHBondContact CB-OD2 3.24Å; S337-D382 PolarHBondContact N-OD2 2.86Å; S337-D382 PolarHBondContact OG-OD2 3.01Å
338E87.2Confident89.1Confident6 Ų632.3 Ų32.33%0.02817%0.17CC..Hα-helixtrans-64.2-44.5170.1158.7178168.300110.2R328 V334 G335 F336 R341 M342 F416 H639 S644 F646R328-E338 IonicContact CZ-OE1 2.71Å; R328-E338 IonicContact NH1-OE1 2.84Å; R328-E338 IonicContact NH2-OE1 3.02Å; R328-E338 PolarHBondContact NH2-OE1 3.45Å; R328-E338 IonicContact NH2-OE2 3.95Å; R328-E338 PolarHBondContact NH2-OE2 2.61Å; V334-E338 HydrophobicContact CG1-CB 4.43Å; V334-E338 HydrophobicContact CG1-CG 3.9Å; V334-E338 WeakPolarHBondContact CG1-OE1 3.16Å; G335-E338 WeakPolarHBondContact O-CB 3.35Å; G335-E338 PolarHBondContact O-N 2.9Å; F336-E338 VanDerWaalsContact C-N 3.34Å; E338-R341 PolarHBondContact O-N 3.01Å; E338-M342 WeakPolarHBondContact O-CG 3.4Å; E338-M342 PolarHBondContact O-N 2.84Å; E338-F416 HydrophobicContact CG-CE1 3.95Å; E338-H639 IonicContact OE1-CD2 3.16Å; E338-H639 IonicContact OE1-CE1 2.56Å; E338-H639 PolarHBondContact OE1-CE1 2.88Å; E338-H639 IonicContact OE1-ND1 3.91Å; E338-H639 IonicContact OE1-NE2 2.99Å; E338-H639 PolarHBondContact OE1-NE2 2.98Å; E338-H639 IonicContact OE2-CE1 3.53Å; E338-S644 WeakPolarHBondContact OE2-CB 3.48Å; E338-F646 HydrophobicContact CB-CE2 3.87Å; E338-F646 HydrophobicContact CB-CZ 4.46Å; E338-F646 HydrophobicContact CG-CE2 3.65Å; E338-F646 HydrophobicContact CG-CZ 3.86Å
339V92.2Very high89.2Confident1 Ų134.8 Ų34.81%0.00618%0.183CC..Hα-helixtrans-62.1-45.5175.2-174.90000111.9L326 V334 G335 F336 R341 M342 A343 L350 V392 F411 F416L326-V339 HydrophobicContact CD1-CG2 3.82Å; V334-V339 HydrophobicContact CG1-CG2 3.82Å; G335-V339 PolarHBondContact O-N 3.11Å; F336-V339 PolarHBondContact O-N 3.12Å; V339-R341 PolarHBondContact O-N 3.08Å; V339-M342 PolarHBondContact O-N 2.85Å; V339-A343 VanDerWaalsContact O-CB 3.26Å; V339-A343 WeakPolarHBondContact O-CB 3.5Å; V339-A343 PolarHBondContact O-N 3.34Å; V339-L350 HydrophobicContact CG1-CD2 4.15Å; V339-V392 HydrophobicContact CB-CG2 4.02Å; V339-V392 HydrophobicContact CG1-CG1 4.3Å; V339-V392 HydrophobicContact CG1-CG2 4.02Å; V339-V392 HydrophobicContact CG2-CG2 4.17Å; V339-F411 HydrophobicContact CG1-CE1 4.37Å; V339-F411 HydrophobicContact CG1-CZ 4.38Å; V339-F416 HydrophobicContact CB-CZ 4.3Å; V339-F416 HydrophobicContact CG1-CE2 4.36Å; V339-F416 HydrophobicContact CG1-CZ 4.46Å; V339-F416 HydrophobicContact CG2-CE1 4.23Å; V339-F416 HydrophobicContact CG2-CE2 4.46Å; V339-F416 HydrophobicContact CG2-CZ 4Å
340D90.1Very high89.4Confident74 Ų7434.8 Ų34.840%0.39618%0.182SC..Hα-helixtrans-60.4-44.1178.7-169.256.3000112F336 A343 G344 T352F336-D340 WeakPolarHBondContact O-CB 3.34Å; F336-D340 PolarHBondContact O-N 2.73Å; D340-A343 PolarHBondContact O-N 3.22Å; D340-G344 PolarHBondContact O-N 3.13Å; D340-T352 HydrophobicContact CB-CG2 3.97Å
341R83.4Confident89.6Confident37 Ų3735 Ų3514%0.1418%0.176CC..Hα-helixtrans-64.6-43.1179.1-167.9-179.1-64.6154.61.6112S337 E338 V339 A345 Q380 L635S337-R341 VanDerWaalsContact O-CB 3.31Å; S337-R341 WeakPolarHBondContact O-CB 3.18Å; S337-R341 PolarHBondContact O-N 2.62Å; E338-R341 PolarHBondContact O-N 3.01Å; V339-R341 PolarHBondContact O-N 3.08Å; R341-A345 PolarHBondContact O-N 3.18Å; R341-Q380 VanDerWaalsContact NH2-OE1 3.07Å; R341-L635 HydrophobicContact CG-CD2 4.23Å
342M89.1Confident89.6Confident1 Ų134.7 Ų34.71%0.00517%0.165CC..Hα-helixtrans-67.8-42.7175.7-70.2-58.5-64.900111.3E338 V339 G344 A345 Y346 F411 C415 F416 L635 K636 F646E338-M342 WeakPolarHBondContact O-CG 3.4Å; E338-M342 PolarHBondContact O-N 2.84Å; V339-M342 PolarHBondContact O-N 2.85Å; M342-G344 VanDerWaalsContact C-N 3.3Å; M342-G344 PolarHBondContact O-N 2.75Å; M342-A345 WeakPolarHBondContact O-CB 3.44Å; M342-A345 PolarHBondContact O-N 3.33Å; M342-A345 VanDerWaalsContact O-N 3.08Å; M342-Y346 HydrophobicContact CE-CE2 4.15Å; M342-Y346 WeakPolarHBondContact O-CD2 3.31Å; M342-Y346 PolarHBondContact O-N 3.01Å; M342-F411 HydrophobicContact CB-CE2 3.76Å; M342-F411 HydrophobicContact CB-CZ 4.04Å; M342-C415 HydrophobicContact CE-CB 4.05Å; M342-C415 VanDerWaalsContact CE-SG 3.51Å; M342-F416 HydrophobicContact CB-CE2 4.28Å; M342-F416 HydrophobicContact CB-CZ 3.87Å; M342-F416 HydrophobicContact CG-CZ 3.9Å; M342-L635 HydrophobicContact SD-CB 4.24Å; M342-L635 HydrophobicContact SD-CD2 3.63Å; M342-L635 HydrophobicContact SD-CG 3.73Å; M342-K636 HydrophobicContact CE-CB 3.77Å; M342-K636 HydrophobicContact CE-CG 4.48Å; M342-F646 HydrophobicContact CG-CE1 4.12Å; M342-F646 HydrophobicContact CG-CZ 3.85Å; M342-F646 HydrophobicContact SD-CE1 3.52Å; M342-F646 VanDerWaalsContact SD-CE1 3.52Å; M342-F646 HydrophobicContact SD-CZ 3.89Å
343A91.9Very high89.5Confident0 Ų028.4 Ų28.40%015%0.145CC..Hα-helixtrans-59.6-41.6177.700000111.6V339 D340 A345 Y346 D347 I348 L350 F411V339-A343 VanDerWaalsContact O-CB 3.26Å; V339-A343 WeakPolarHBondContact O-CB 3.5Å; V339-A343 PolarHBondContact O-N 3.34Å; D340-A343 PolarHBondContact O-N 3.22Å; A343-A345 VanDerWaalsContact C-N 3.31Å; A343-A345 PolarHBondContact O-N 2.91Å; A343-Y346 CarbonylContact O-C 3.59Å; A343-Y346 PolarHBondContact O-N 3.41Å; A343-D347 PolarHBondContact O-N 2.69Å; A343-D347 VanDerWaalsContact O-N 3.14Å; A343-I348 CarbonylContact C-O 3.53Å; A343-I348 HydrophobicContact CB-CB 4.14Å; A343-I348 HydrophobicContact CB-CG2 4.33Å; A343-I348 WeakPolarHBondContact CB-O 3.47Å; A343-I348 PolarHBondContact O-N 2.98Å; A343-L350 HydrophobicContact CB-CD2 3.72Å; A343-L350 HydrophobicContact CB-CG 3.93Å; A343-F411 HydrophobicContact CB-CE1 4.11Å; A343-F411 HydrophobicContact CB-CE2 4.36Å; A343-F411 HydrophobicContact CB-CZ 3.73Å
344G86Confident89Confident29 Ų2926.5 Ų26.530%0.29914%0.141SC..Hα-helixtrans-61.2-34.5174.700000114D340 M342 Y346 D347D340-G344 PolarHBondContact O-N 3.13Å; M342-G344 VanDerWaalsContact C-N 3.3Å; M342-G344 PolarHBondContact O-N 2.75Å; G344-Y346 VanDerWaalsContact C-N 3.28Å; G344-Y346 PolarHBondContact O-N 3.17Å; G344-D347 PolarHBondContact O-N 2.9Å
345A81.9Confident88.6Confident4 Ų427 Ų273%0.03314%0.143CC..Hα-helixtrans-68.8-28.7174.500000112.6R341 M342 A343 A619 A622 P632 L635R341-A345 PolarHBondContact O-N 3.18Å; M342-A345 WeakPolarHBondContact O-CB 3.44Å; M342-A345 PolarHBondContact O-N 3.33Å; M342-A345 VanDerWaalsContact O-N 3.08Å; A343-A345 VanDerWaalsContact C-N 3.31Å; A343-A345 PolarHBondContact O-N 2.91Å; A345-A619 HydrophobicContact CB-CB 4.35Å; A345-A622 HydrophobicContact CB-CB 4.27Å; A345-P632 HydrophobicContact CB-CB 4.38Å; A345-P632 WeakPolarHBondContact O-CG 3.29Å; A345-L635 HydrophobicContact CB-CD2 3.67Å
346Y90.1Very high88.2Confident45 Ų4529.4 Ų29.418%0.17616%0.158CC..THydrogen-bonded Turntrans-93.49.4177.5-80.9-100.1000113.7M342 A343 G344 I348 F411 E414 C415 P632M342-Y346 HydrophobicContact CE-CE2 4.15Å; M342-Y346 WeakPolarHBondContact O-CD2 3.31Å; M342-Y346 PolarHBondContact O-N 3.01Å; A343-Y346 CarbonylContact O-C 3.59Å; A343-Y346 PolarHBondContact O-N 3.41Å; G344-Y346 VanDerWaalsContact C-N 3.28Å; G344-Y346 PolarHBondContact O-N 3.17Å; Y346-I348 PolarHBondContact O-N 3.17Å; Y346-F411 HydrophobicContact CD1-CD2 4.24Å; Y346-F411 AromaticContact CD2-CD2 3.74Å; Y346-F411 HydrophobicContact CD2-CD2 3.74Å; Y346-F411 HydrophobicContact CD2-CE2 4.05Å; Y346-F411 HydrophobicContact CE2-CD2 4.26Å; Y346-F411 AromaticContact CG-CD2 3.72Å; Y346-F411 HydrophobicContact CG-CD2 3.72Å; Y346-F411 HydrophobicContact CG-CE2 4.38Å; Y346-E414 WeakPolarHBondContact CE1-OE2 3.35Å; Y346-E414 PolarHBondContact OH-OE2 2.89Å; Y346-E414 VanDerWaalsContact OH-OE2 3.08Å; Y346-C415 WeakPolarHBondContact CE2-SG 3.16Å; Y346-C415 VanDerWaalsContact CZ-SG 3.56Å; Y346-P632 HydrophobicContact CD1-CB 4.3Å; Y346-P632 HydrophobicContact CD1-CG 4.44Å; Y346-P632 HydrophobicContact CD2-CB 3.63Å; Y346-P632 HydrophobicContact CD2-CG 4.43Å; Y346-P632 HydrophobicContact CE1-CB 4.11Å; Y346-P632 HydrophobicContact CE1-CG 4.49Å; Y346-P632 HydrophobicContact CE2-CB 3.39Å; Y346-P632 HydrophobicContact CE2-CG 4.46Å; Y346-P632 HydrophobicContact CG-CB 4.1Å; Y346-P632 HydrophobicContact CG-CG 4.43Å
347D89.4Confident87.5Confident45 Ų4528.8 Ų28.824%0.24116%0.156CC..THydrogen-bonded Turntrans55.337.4-175.6-74.2-50.3000113.6F4 T5 A343 G344 K630F4-D347 CarbonylContact C-O 3.52Å; F4-D347 VanDerWaalsContact CA-O 3.26Å; F4-D347 WeakPolarHBondContact CA-O 3.47Å; F4-D347 HydrophobicContact CB-CB 4.08Å; F4-D347 VanDerWaalsContact CB-O 3.24Å; F4-D347 WeakPolarHBondContact CB-O 3.4Å; T5-D347 PolarHBondContact N-O 3.21Å; A343-D347 PolarHBondContact O-N 2.69Å; A343-D347 VanDerWaalsContact O-N 3.14Å; G344-D347 PolarHBondContact O-N 2.9Å; D347-K630 IonicContact OD1-NZ 3.43Å; D347-K630 PolarHBondContact OD1-NZ 3.17Å; D347-K630 VanDerWaalsContact OD2-CD 3.24Å; D347-K630 WeakPolarHBondContact OD2-CD 3.01Å; D347-K630 IonicContact OD2-NZ 3.04Å; D347-K630 PolarHBondContact OD2-NZ 2.72Å
348I94.2Very high87.1Confident6 Ų633 Ų333%0.03117%0.174CC..EExtended strand (participates in β ladder)trans-106.9120.1174.6-65.3169.3000108.9L7 A343 Y346 L350 F411L7-I348 HydrophobicContact CD1-CG2 3.82Å; A343-I348 CarbonylContact C-O 3.53Å; A343-I348 HydrophobicContact CB-CB 4.14Å; A343-I348 HydrophobicContact CB-CG2 4.33Å; A343-I348 WeakPolarHBondContact CB-O 3.47Å; A343-I348 PolarHBondContact O-N 2.98Å; Y346-I348 PolarHBondContact O-N 3.17Å; I348-L350 HydrophobicContact CG2-CD2 4.47Å; I348-F411 HydrophobicContact CD1-CB 3.37Å; I348-F411 HydrophobicContact CD1-CD1 3.84Å; I348-F411 HydrophobicContact CD1-CD2 4.23Å; I348-F411 HydrophobicContact CD1-CG 3.55Å
349Q94.5Very high86.5Confident85 Ų8533.3 Ų33.340%0.39718%0.178SC..EExtended strand (participates in β ladder)trans-98105.1179.2-54.4-61.3-4100109.2F4 T5 Y6 L7F4-Q349 HydrophobicContact CD2-CG 3.8Å; F4-Q349 HydrophobicContact CE2-CG 4.42Å; F4-Q349 HydrophobicContact CG-CG 4.4Å; T5-Q349 PolarHBondContact O-N 2.88Å; Y6-Q349 HydrophobicContact CD2-CB 3.82Å; Y6-Q349 HydrophobicContact CD2-CG 4.38Å; Y6-Q349 HydrophobicContact CE2-CB 4.37Å; L7-Q349 CarbonylContact C-O 3.56Å; L7-Q349 WeakPolarHBondContact CA-O 2.98Å; L7-Q349 WeakPolarHBondContact CB-O 3.12Å; L7-Q349 PolarHBondContact N-O 3.37Å
350L95.3Very high85.7Confident15 Ų1533.4 Ų33.48%0.07918%0.179CC..  trans-122.6175.3177.957.770.4000111V339 A343 I348 T352 V392 I394V339-L350 HydrophobicContact CG1-CD2 4.15Å; A343-L350 HydrophobicContact CB-CD2 3.72Å; A343-L350 HydrophobicContact CB-CG 3.93Å; I348-L350 HydrophobicContact CG2-CD2 4.47Å; L350-T352 HydrophobicContact CD1-CG2 3.51Å; L350-V392 HydrophobicContact CD1-CG1 4.05Å; L350-V392 HydrophobicContact CD2-CG1 3.92Å; L350-V392 HydrophobicContact CG-CG1 4.48Å; L350-I394 HydrophobicContact CB-CG2 4.14Å
351R92.9Very high85.2Confident94 Ų9429.9 Ų29.936%0.35516%0.16SC..EExtended strand (participates in β ladder)trans-112.6138.2179.4-171.5110.9-175.2157.24.8110.6D8 F355 R393D8-R351 VanDerWaalsContact CG-CD 3.46Å; D8-R351 WeakPolarHBondContact OD1-CB 3.1Å; D8-R351 VanDerWaalsContact OD1-CD 3.26Å; D8-R351 WeakPolarHBondContact OD1-CD 3.42Å; D8-R351 WeakPolarHBondContact OD2-CD 3.34Å; D8-R351 IonicContact OD2-NE 3.54Å; D8-R351 IonicContact OD2-NH1 2.93Å; D8-R351 PolarHBondContact OD2-NH1 2.96Å; R351-F355 HydrophobicContact CB-CD1 4.45Å; R351-F355 HydrophobicContact CB-CE1 4.36Å; R351-F355 HydrophobicContact CG-CD1 3.62Å; R351-F355 HydrophobicContact CG-CE1 3.93Å; R351-R393 HydrophobicContact CB-CB 4.38Å; R351-R393 PolarHBondContact N-O 3.4Å; R351-R393 VanDerWaalsContact N-O 3.09Å; R351-R393 PolarHBondContact O-N 3.4Å
352T91.2Very high84.9Confident38 Ų3829.4 Ų29.423%0.23316%0.159CC..EExtended strand (participates in β ladder)trans-125.5160.7175.3630000112.6F336 D340 L350 A391 V392F336-T352 HydrophobicContact CB-CG2 4.02Å; F336-T352 VanDerWaalsContact CD2-CB 3.47Å; F336-T352 HydrophobicContact CD2-CG2 4.21Å; F336-T352 HydrophobicContact CG-CG2 4.48Å; D340-T352 HydrophobicContact CB-CG2 3.97Å; L350-T352 HydrophobicContact CD1-CG2 3.51Å; T352-A391 CarbonylContact C-O 3.53Å; T352-A391 WeakPolarHBondContact CA-O 3.29Å; T352-V392 HydrophobicContact CG2-CG2 4.29Å
353G86.9Confident84.3Confident10 Ų1032.8 Ų32.810%0.10318%0.177CC..EExtended strand (participates in β ladder)trans102.3-147.5179.200000114.2F355 A391G353-F355 WeakPolarHBondContact O-CE1 3.48Å; G353-F355 WeakPolarHBondContact O-CZ 3.37Å; G353-A391 PolarHBondContact N-O 2.9Å; G353-A391 PolarHBondContact O-N 3.31Å
354C81.3Confident83.6Confident27 Ų2733.7 Ų33.718%0.18218%0.184CC..  trans-103.314.6-178.2-72.20000114.2C356 N357 C361C354-C356 PolarHBondContact O-N 2.85Å; C354-N357 CarbonylContact O-C 3.55Å; C354-N357 PolarHBondContact O-N 3.42Å; C354-C361 WeakPolarHBondContact CA-SG 3.36Å; C354-C361 HydrophobicContact CB-CB 3.47Å; C354-C361 VanDerWaalsContact CB-CB 3.47Å; C354-C361 WeakPolarHBondContact CB-SG 3.42Å; C354-C361 WeakPolarHBondContact SG-CB 3.35Å; C354-C361 CovalentContact SG-SG 2.05Å; C354-C361 PolarHBondContact SG-SG 3.48Å
355F81.5Confident83.4Confident13 Ų1333 Ų336%0.05717%0.174CC..THydrogen-bonded Turntrans49.923.2166.7-38.5-45.8000118.6F151 A323 R351 G353 N357 A391 R393F151-F355 AromaticContact CD2-CD2 3.36Å; F151-F355 HydrophobicContact CD2-CD2 3.36Å; F151-F355 AromaticContact CD2-CE2 3.74Å; F151-F355 HydrophobicContact CD2-CE2 3.74Å; F151-F355 HydrophobicContact CD2-CG 4.47Å; F151-F355 AromaticContact CE2-CD2 3.64Å; F151-F355 HydrophobicContact CE2-CD2 3.64Å; F151-F355 AromaticContact CE2-CE2 3.56Å; F151-F355 HydrophobicContact CE2-CE2 3.56Å; F151-F355 HydrophobicContact CG-CD2 4.08Å; F151-F355 HydrophobicContact CG-CE2 4.42Å; F151-F355 HydrophobicContact CZ-CE2 4.14Å; A323-F355 HydrophobicContact CB-CE2 4.45Å; R351-F355 HydrophobicContact CB-CD1 4.45Å; R351-F355 HydrophobicContact CB-CE1 4.36Å; R351-F355 HydrophobicContact CG-CD1 3.62Å; R351-F355 HydrophobicContact CG-CE1 3.93Å; G353-F355 WeakPolarHBondContact O-CE1 3.48Å; G353-F355 WeakPolarHBondContact O-CZ 3.37Å; F355-N357 PolarHBondContact O-N 3.01Å; F355-N357 PolarHBondContact O-OD1 3.31Å; F355-A391 HydrophobicContact CE2-CB 3.92Å; F355-A391 HydrophobicContact CZ-CB 3.86Å; F355-A391 VanDerWaalsContact CZ-O 3.27Å; F355-A391 WeakPolarHBondContact CZ-O 3.28Å; F355-R393 HydrophobicContact CD1-CB 4.15Å; F355-R393 HydrophobicContact CD2-CB 4.15Å; F355-R393 HydrophobicContact CE1-CB 3.58Å; F355-R393 HydrophobicContact CE2-CB 3.62Å; F355-R393 HydrophobicContact CE2-CG 4.41Å; F355-R393 HydrophobicContact CG-CB 4.42Å; F355-R393 HydrophobicContact CZ-CB 3.3Å; F355-R393 HydrophobicContact CZ-CG 4.49Å
356C78.2Confident83.2Confident57 Ų5735.7 Ų35.739%0.38520%0.202SC..THydrogen-bonded Turntrans63.722.7-171.4-510000114.1H121 T122 C354H121-C356 WeakPolarHBondContact NE2-CB 3.39Å; T122-C356 HydrophobicContact CG2-CB 4.46Å; T122-C356 WeakPolarHBondContact CG2-O 3.43Å; T122-C356 PolarHBondContact N-O 2.83Å; C354-C356 PolarHBondContact O-N 2.85Å
357N76Confident82.5Confident0 Ų034.5 Ų34.50%020%0.198CC..  trans-126.665.6173.2-67.191.5000108.8D119 T149 N150 F151 C354 F355 G359 A360 C361D119-N357 PolarHBondContact O-ND2 2.05Å; T149-N357 PolarHBondContact O-ND2 3.48Å; N150-N357 WeakPolarHBondContact CB-OD1 3.4Å; F151-N357 HydrophobicContact CB-CB 4.23Å; C354-N357 CarbonylContact O-C 3.55Å; C354-N357 PolarHBondContact O-N 3.42Å; F355-N357 PolarHBondContact O-N 3.01Å; F355-N357 PolarHBondContact O-OD1 3.31Å; N357-G359 PolarHBondContact O-N 3.06Å; N357-A360 HydrophobicContact CB-CB 3.76Å; N357-A360 WeakPolarHBondContact O-CB 3.42Å; N357-A360 PolarHBondContact O-N 2.99Å; N357-A360 VanDerWaalsContact O-N 3.12Å; N357-C361 PolarHBondContact O-N 3.05Å
358Q76.7Confident81.6Confident107 Ų10736 Ų3650%0.521%0.209SC..Hα-helixtrans-55.7-50.1-174.4-84.1177.8-32.400112.7A360 C361 Q362 E372Q358-A360 VanDerWaalsContact C-N 3.27Å; Q358-A360 PolarHBondContact O-N 3.09Å; Q358-C361 WeakPolarHBondContact O-CA 3.27Å; Q358-C361 VanDerWaalsContact O-CB 3.3Å; Q358-C361 WeakPolarHBondContact O-CB 3.32Å; Q358-C361 PolarHBondContact O-N 3.3Å; Q358-Q362 WeakPolarHBondContact O-CG 3.45Å; Q358-Q362 PolarHBondContact O-N 3.29Å; Q358-E372 VanDerWaalsContact CB-OE1 3.3Å; Q358-E372 WeakPolarHBondContact CB-OE1 3.39Å; Q358-E372 WeakPolarHBondContact CG-OE1 3.44Å
359G73.8Confident80.3Confident11 Ų1142.1 Ų42.111%0.11324%0.242CC..Hα-helixtrans-61.1-34.7177.500000113.4Q118 N357 L363Q118-G359 WeakPolarHBondContact O-CA 3.3Å; N357-G359 PolarHBondContact O-N 3.06Å; G359-L363 WeakPolarHBondContact O-CB 3.32Å; G359-L363 VanDerWaalsContact O-CG 3.29Å; G359-L363 WeakPolarHBondContact O-CG 3.25Å; G359-L363 PolarHBondContact O-N 3.08Å
360A75.7Confident78.7Confident3 Ų342.4 Ų42.43%0.02525%0.253CS..Hα-helixtrans-66.9-42.1173.900000111.6D119 F151 N357 Q358 L363 A364D119-A360 HydrophobicContact CB-CB 3.63Å; F151-A360 HydrophobicContact CB-CB 3.77Å; F151-A360 HydrophobicContact CD2-CB 4.22Å; F151-A360 HydrophobicContact CG-CB 3.98Å; N357-A360 HydrophobicContact CB-CB 3.76Å; N357-A360 WeakPolarHBondContact O-CB 3.42Å; N357-A360 PolarHBondContact O-N 2.99Å; N357-A360 VanDerWaalsContact O-N 3.12Å; Q358-A360 VanDerWaalsContact C-N 3.27Å; Q358-A360 PolarHBondContact O-N 3.09Å; A360-L363 PolarHBondContact O-N 3Å; A360-A364 WeakPolarHBondContact O-CB 3.29Å; A360-A364 PolarHBondContact O-N 3.45Å
361C78.5Confident77Confident0 Ų043.3 Ų43.30%026%0.257CS..Hα-helixtrans-62.4-47.7176.6-160.40000110.7F151 C354 N357 Q358 L363 A364 L365F151-C361 HydrophobicContact CE2-CB 4.02Å; C354-C361 WeakPolarHBondContact CA-SG 3.36Å; C354-C361 HydrophobicContact CB-CB 3.47Å; C354-C361 VanDerWaalsContact CB-CB 3.47Å; C354-C361 WeakPolarHBondContact CB-SG 3.42Å; C354-C361 WeakPolarHBondContact SG-CB 3.35Å; C354-C361 CovalentContact SG-SG 2.05Å; C354-C361 PolarHBondContact SG-SG 3.48Å; N357-C361 PolarHBondContact O-N 3.05Å; Q358-C361 WeakPolarHBondContact O-CA 3.27Å; Q358-C361 VanDerWaalsContact O-CB 3.3Å; Q358-C361 WeakPolarHBondContact O-CB 3.32Å; Q358-C361 PolarHBondContact O-N 3.3Å; C361-L363 PolarHBondContact O-N 2.89Å; C361-A364 PolarHBondContact O-N 3.34Å; C361-L365 VanDerWaalsContact O-CB 3.26Å; C361-L365 WeakPolarHBondContact O-CB 3.37Å; C361-L365 WeakPolarHBondContact O-CG 3.45Å; C361-L365 PolarHBondContact O-N 2.87Å
362Q77.8Confident75.2Confident27 Ų2741.2 Ų41.213%0.12625%0.251CS..Hα-helixtrans-57.2-50176.9-71.8-179.7-18.400111.4Q358 L365 G366 L367 E372Q358-Q362 WeakPolarHBondContact O-CG 3.45Å; Q358-Q362 PolarHBondContact O-N 3.29Å; Q362-L365 PolarHBondContact O-N 3.23Å; Q362-G366 WeakPolarHBondContact O-CA 3.39Å; Q362-G366 PolarHBondContact O-N 2.78Å; Q362-L367 PolarHBondContact O-N 3.4Å; Q362-E372 HydrophobicContact CG-CG 4.06Å; Q362-E372 WeakPolarHBondContact CG-OE1 3.41Å; Q362-E372 PolarHBondContact NE2-OE2 3.3Å
363L76.4Confident73.4Confident73 Ų7343 Ų4338%0.38228%0.277SS..Hα-helixtrans-63.4-46.2179.3-74.1168.9000111.9Q118 G359 A360 C361 L365Q118-L363 HydrophobicContact CB-CD1 4.34Å; Q118-L363 HydrophobicContact CG-CD1 4.06Å; G359-L363 WeakPolarHBondContact O-CB 3.32Å; G359-L363 VanDerWaalsContact O-CG 3.29Å; G359-L363 WeakPolarHBondContact O-CG 3.25Å; G359-L363 PolarHBondContact O-N 3.08Å; A360-L363 PolarHBondContact O-N 3Å; C361-L363 PolarHBondContact O-N 2.89Å; L363-L365 VanDerWaalsContact C-N 3.28Å; L363-L365 PolarHBondContact O-N 3.13Å
364A78.4Confident71.7Confident18 Ų1847.2 Ų47.215%0.14930%0.296CS..Hα-helixtrans-65.2-31.8-178.600000112.9T147 F151 Y307 A360 C361T147-A364 HydrophobicContact CG2-CB 4.42Å; F151-A364 HydrophobicContact CD1-CB 4.5Å; F151-A364 HydrophobicContact CE1-CB 3.67Å; F151-A364 HydrophobicContact CZ-CB 3.88Å; Y307-A364 HydrophobicContact CD1-CB 3.76Å; Y307-A364 HydrophobicContact CE1-CB 4.17Å; Y307-A364 VanDerWaalsContact CE1-O 3.23Å; Y307-A364 WeakPolarHBondContact CE1-O 3.47Å; Y307-A364 HydrophobicContact CG-CB 4.2Å; A360-A364 WeakPolarHBondContact O-CB 3.29Å; A360-A364 PolarHBondContact O-N 3.45Å; C361-A364 PolarHBondContact O-N 3.34Å
365L80.2Confident70.4Confident16 Ų1648.2 Ų48.28%0.08430%0.298CS..Hα-helixtrans-103.8-4.7-174.9-56.3-179.2000113.6Y307 C361 Q362 L363 L367 P388 G390Y307-L365 HydrophobicContact CE1-CD2 3.87Å; Y307-L365 HydrophobicContact CE2-CD2 4.2Å; Y307-L365 VanDerWaalsContact CZ-CD2 3.46Å; Y307-L365 WeakPolarHBondContact OH-CD2 3.45Å; C361-L365 VanDerWaalsContact O-CB 3.26Å; C361-L365 WeakPolarHBondContact O-CB 3.37Å; C361-L365 WeakPolarHBondContact O-CG 3.45Å; C361-L365 PolarHBondContact O-N 2.87Å; Q362-L365 PolarHBondContact O-N 3.23Å; L363-L365 VanDerWaalsContact C-N 3.28Å; L363-L365 PolarHBondContact O-N 3.13Å; L365-L367 VanDerWaalsContact C-N 3.31Å; L365-L367 HydrophobicContact CB-CD1 4Å; L365-L367 HydrophobicContact CB-CD2 4.46Å; L365-L367 HydrophobicContact CB-CG 3.79Å; L365-L367 HydrophobicContact CD1-CD1 4.04Å; L365-L367 PolarHBondContact O-N 2.87Å; L365-P388 HydrophobicContact CD2-CG 3.99Å; L365-G390 VanDerWaalsContact CD1-N 3.26Å
366G78.8Confident69Low60 Ų6057.4 Ų57.462%0.61933%0.332SS*.THydrogen-bonded Turntrans6531.4-176.900000113.6Q362Q362-G366 WeakPolarHBondContact O-CA 3.39Å; Q362-G366 PolarHBondContact O-N 2.78Å
367L74.2Confident67.4Low20 Ų2061.8 Ų61.811%0.10536%0.361CS..  trans-78.9144.7-176.8-60.8170.2000111.5Q362 L365 Q371 L389Q362-L367 PolarHBondContact O-N 3.4Å; L365-L367 VanDerWaalsContact C-N 3.31Å; L365-L367 HydrophobicContact CB-CD1 4Å; L365-L367 HydrophobicContact CB-CD2 4.46Å; L365-L367 HydrophobicContact CB-CG 3.79Å; L365-L367 HydrophobicContact CD1-CD1 4.04Å; L365-L367 PolarHBondContact O-N 2.87Å; L367-Q371 HydrophobicContact CD2-CB 4.39Å; L367-L389 HydrophobicContact CD2-CD2 3.86Å
368T71.1Confident65.9Low77 Ų7765.5 Ų65.547%0.47240%0.4SS..  trans-91.3159.7170.464.20000111.4S370 Q371T368-S370 PolarHBondContact O-N 2.89Å; T368-S370 VanDerWaalsContact O-N 3.08Å; T368-S370 PolarHBondContact OG1-OG 3.19Å; T368-Q371 VanDerWaalsContact N-OE1 3.12Å; T368-Q371 PolarHBondContact O-N 2.97Å
369D68.1Low64.8Low134 Ų13462.7 Ų62.772%0.71739%0.388SS*.Hα-helixtrans-54.5-30.7-180-68-27.1000113.4
370S60.4Low64.3Low91 Ų9167.2 Ų67.264%0.63641%0.407SS*.Hα-helixtrans-72.9-25.6-18063.30000113.6T368T368-S370 PolarHBondContact O-N 2.89Å; T368-S370 VanDerWaalsContact O-N 3.08Å; T368-S370 PolarHBondContact OG1-OG 3.19Å
371Q60.2Low63.8Low33 Ų3370.6 Ų70.615%0.15443%0.427CS..Hα-helixtrans-80.3-25.1-178.8-68.2174.7-49.200112.4L367 T368L367-Q371 HydrophobicContact CD2-CB 4.39Å; T368-Q371 VanDerWaalsContact N-OE1 3.12Å; T368-Q371 PolarHBondContact O-N 2.97Å
372E54Low63.9Low50 Ų5071.6 Ų71.623%0.23443%0.432CS..Hα-helixtrans-69.8-37.9178.1-97.8-158.8153.400113.4Q358 Q362 I374 K375Q358-E372 VanDerWaalsContact CB-OE1 3.3Å; Q358-E372 WeakPolarHBondContact CB-OE1 3.39Å; Q358-E372 WeakPolarHBondContact CG-OE1 3.44Å; Q362-E372 HydrophobicContact CG-CG 4.06Å; Q362-E372 WeakPolarHBondContact CG-OE1 3.41Å; Q362-E372 PolarHBondContact NE2-OE2 3.3Å; E372-I374 PolarHBondContact O-N 2.98Å; E372-I374 VanDerWaalsContact O-N 3.14Å; E372-K375 PolarHBondContact O-N 2.95Å
373G52.7Low63.9Low75 Ų7572.5 Ų72.577%0.77344%0.439SS*.THydrogen-bonded Turntrans-65.5-17.5-177.400000114
374I51.1Low63.9Low100 Ų10070.9 Ų70.951%0.51343%0.431SS..THydrogen-bonded Turntrans-76.3-28.9-178.6-60174.7000110.9E372 L384E372-I374 PolarHBondContact O-N 2.98Å; E372-I374 VanDerWaalsContact O-N 3.14Å; I374-L384 HydrophobicContact CD1-CD2 3.8Å
375K54.7Low63.8Low47 Ų4776.7 Ų76.720%0.20446%0.459CS..  trans-96.7115.6-169.2-167.7171.5177.8177.80112.4E372 D379 L389E372-K375 PolarHBondContact O-N 2.95Å; K375-D379 WeakPolarHBondContact CG-OD1 3.24Å; K375-L389 HydrophobicContact CD-CB 3.75Å; K375-L389 HydrophobicContact CD-CD1 4.28Å; K375-L389 VanDerWaalsContact NZ-C 3.3Å; K375-L389 PolarHBondContact NZ-O 2.92Å
376R51.5Low63.8Low207 Ų20778.3 Ų78.378%0.78148%0.48SS*.  trans-89.7138.1168-70.8-176-179.6-178.91.5108.9G378 D379R376-G378 PolarHBondContact O-N 3Å; R376-D379 PolarHBondContact N-OD2 2.82Å; R376-D379 PolarHBondContact O-N 2.73Å; R376-D379 VanDerWaalsContact O-N 3.1Å
377C45.4Very low63.9Low148 Ų14879.9 Ų79.9100%147%0.471SS*.THydrogen-bonded Turntrans-57.6111.9176.3-1580000109.7
378G43.6Very low64.5Low79 Ų7979.1 Ų79.181%0.81447%0.467SS*.THydrogen-bonded Turntrans107.10.2-179.800000116.3R376R376-G378 PolarHBondContact O-N 3Å
379D54.4Low65.2Low47 Ų4775.7 Ų75.725%0.25145%0.446SS..  trans-73154.916760.124.9000111.8K375 R376 V381K375-D379 WeakPolarHBondContact CG-OD1 3.24Å; R376-D379 PolarHBondContact N-OD2 2.82Å; R376-D379 PolarHBondContact O-N 2.73Å; R376-D379 VanDerWaalsContact O-N 3.1Å; D379-V381 VanDerWaalsContact C-N 3.27Å
380Q62.9Low66.1Low107 Ų10769.3 Ų69.350%0.541%0.412SS..SBendtrans-863.3179.1-64.6-164.6900112.9R341 D382R341-Q380 VanDerWaalsContact NH2-OE1 3.07Å; Q380-D382 PolarHBondContact O-N 3.25Å
381V66.6Low67.5Low73 Ų7365 Ų6544%0.44238%0.381SS..  trans-84.198.1179.2-175.80000108.4D379 L389D379-V381 VanDerWaalsContact C-N 3.27Å; V381-L389 HydrophobicContact CG1-CD1 4.36Å
382D80.5Confident69.2Low21 Ų2163.4 Ų63.411%0.11237%0.374CS..  trans-112-17.1-174.954.516.8000114.5G335 F336 S337 Q380 P388 L389G335-D382 WeakPolarHBondContact CA-OD1 2.98Å; G335-D382 WeakPolarHBondContact CA-OD2 3.16Å; F336-D382 HydrophobicContact CD1-CB 3.56Å; F336-D382 HydrophobicContact CD2-CB 4.09Å; F336-D382 HydrophobicContact CE1-CB 3.15Å; F336-D382 HydrophobicContact CE2-CB 3.74Å; F336-D382 HydrophobicContact CG-CB 3.98Å; F336-D382 HydrophobicContact CZ-CB 3.22Å; F336-D382 PolarHBondContact N-OD2 2.75Å; S337-D382 WeakPolarHBondContact CA-OD2 2.85Å; S337-D382 WeakPolarHBondContact CB-OD2 3.24Å; S337-D382 PolarHBondContact N-OD2 2.86Å; S337-D382 PolarHBondContact OG-OD2 3.01Å; Q380-D382 PolarHBondContact O-N 3.25Å; D382-P388 CarbonylContact O-C 3.53Å; D382-P388 WeakPolarHBondContact O-CA 3Å; D382-L389 PolarHBondContact O-N 3.09Å
383V77Confident71Confident47 Ų4761.4 Ų61.429%0.28537%0.365SS..EExtended strand (participates in β ladder)trans-127.6123.4171.9-176.30000109.2W333 H387W333-V383 HydrophobicContact CB-CG2 4.22Å; V383-H387 CarbonylContact C-O 3.53Å; V383-H387 WeakPolarHBondContact CA-O 3.32Å
384L77.1Confident73.1Confident39 Ų3957.8 Ų57.820%0.20433%0.328CS..EExtended strand (participates in β ladder)trans-124.6127.4178.5-178.168.7000109.7I374 G386 H387 L389I374-L384 HydrophobicContact CD1-CD2 3.8Å; L384-G386 PolarHBondContact O-N 3.32Å; L384-G386 VanDerWaalsContact O-N 3.17Å; L384-H387 PolarHBondContact N-O 3.06Å; L384-H387 PolarHBondContact O-N 3.02Å; L384-L389 HydrophobicContact CB-CD1 3.82Å; L384-L389 HydrophobicContact CB-CD2 4.05Å; L384-L389 HydrophobicContact CB-CG 3.99Å; L384-L389 HydrophobicContact CD2-CD1 4.46Å
385N76.6Confident75.3Confident139 Ų13953 Ų5374%0.74330%0.303SS*.THydrogen-bonded Turntrans50.340.1-177.5-59.6-26.8000112.6H387N385-H387 VanDerWaalsContact C-N 3.26Å; N385-H387 PolarHBondContact O-N 2.84Å; N385-H387 PolarHBondContact O-ND1 3.12Å
386G78.7Confident77.2Confident50 Ų5051.1 Ų51.152%0.51530%0.295SS..THydrogen-bonded Turntrans72.211.6-178.600000115.2W333 L384W333-G386 PolarHBondContact NE1-O 2.85Å; L384-G386 PolarHBondContact O-N 3.32Å; L384-G386 VanDerWaalsContact O-N 3.17Å
387H81.8Confident79.3Confident93 Ų9341.6 Ų41.643%0.43126%0.261SS..EExtended strand (participates in β ladder)trans-116.3132.8178.3-66.659.9000110.5V383 L384 N385V383-H387 CarbonylContact C-O 3.53Å; V383-H387 WeakPolarHBondContact CA-O 3.32Å; L384-H387 PolarHBondContact N-O 3.06Å; L384-H387 PolarHBondContact O-N 3.02Å; N385-H387 VanDerWaalsContact C-N 3.26Å; N385-H387 PolarHBondContact O-N 2.84Å; N385-H387 PolarHBondContact O-ND1 3.12Å
388P86.6Confident81.5Confident4 Ų436.7 Ų36.73%0.02622%0.222CC..EExtended strand (participates in β ladder)trans-66.6137175.427.5-33.9000110.5W333 L365 D382W333-P388 HydrophobicContact CD2-CG 3.98Å; W333-P388 HydrophobicContact CE3-CG 4.37Å; W333-P388 HydrophobicContact CG-CG 4.28Å; W333-P388 HydrophobicContact CZ2-CG 4.42Å; L365-P388 HydrophobicContact CD2-CG 3.99Å; D382-P388 CarbonylContact O-C 3.53Å; D382-P388 WeakPolarHBondContact O-CA 3Å
389L84.8Confident83.8Confident5 Ų535 Ų353%0.02620%0.196CC..SBendtrans-96.79175.5-61-178.5000112.7L367 K375 V381 D382 L384L367-L389 HydrophobicContact CD2-CD2 3.86Å; K375-L389 HydrophobicContact CD-CB 3.75Å; K375-L389 HydrophobicContact CD-CD1 4.28Å; K375-L389 VanDerWaalsContact NZ-C 3.3Å; K375-L389 PolarHBondContact NZ-O 2.92Å; V381-L389 HydrophobicContact CG1-CD1 4.36Å; D382-L389 PolarHBondContact O-N 3.09Å; L384-L389 HydrophobicContact CB-CD1 3.82Å; L384-L389 HydrophobicContact CB-CD2 4.05Å; L384-L389 HydrophobicContact CB-CG 3.99Å; L384-L389 HydrophobicContact CD2-CD1 4.46Å
390G87.5Confident85.7Confident0 Ų033.1 Ų33.10%019%0.186CC..SBendtrans-177.6175.3-178.100000111N325 L365N325-G390 PolarHBondContact ND2-O 3.41Å; N325-G390 PolarHBondContact OD1-O 2.96Å; L365-G390 VanDerWaalsContact CD1-N 3.26Å
391A90.9Very high87.3Confident0 Ų031.5 Ų31.50%018%0.183CC..EExtended strand (participates in β ladder)trans-123.3172.9-178.600000112F151 Y307 N325 T352 G353 F355F151-A391 HydrophobicContact CE2-CB 4.26Å; F151-A391 HydrophobicContact CZ-CB 3.81Å; Y307-A391 HydrophobicContact CD2-CB 4.36Å; Y307-A391 HydrophobicContact CE2-CB 4Å; N325-A391 VanDerWaalsContact OD1-CA 3.27Å; N325-A391 WeakPolarHBondContact OD1-CA 2.86Å; N325-A391 WeakPolarHBondContact OD1-CB 3.12Å; T352-A391 CarbonylContact C-O 3.53Å; T352-A391 WeakPolarHBondContact CA-O 3.29Å; G353-A391 PolarHBondContact N-O 2.9Å; G353-A391 PolarHBondContact O-N 3.31Å; F355-A391 HydrophobicContact CE2-CB 3.92Å; F355-A391 HydrophobicContact CZ-CB 3.86Å; F355-A391 VanDerWaalsContact CZ-O 3.27Å; F355-A391 WeakPolarHBondContact CZ-O 3.28Å
392V94.1Very high88.7Confident1 Ų130.9 Ų30.91%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-99138.5163.9-176.70000108.2A323 F324 F336 V339 L350 T352A323-V392 CarbonylContact C-O 3.51Å; A323-V392 WeakPolarHBondContact CA-O 2.79Å; F324-V392 HydrophobicContact CD2-CB 4.42Å; F324-V392 HydrophobicContact CE1-CB 4.16Å; F324-V392 HydrophobicContact CE1-CG1 3.83Å; F324-V392 HydrophobicContact CE2-CB 4.02Å; F324-V392 HydrophobicContact CE2-CG1 4.06Å; F324-V392 HydrophobicContact CZ-CB 3.86Å; F324-V392 HydrophobicContact CZ-CG1 3.46Å; F324-V392 VanDerWaalsContact CZ-CG1 3.46Å; F324-V392 PolarHBondContact N-O 2.95Å; F324-V392 WeakPolarHBondContact O-CB 3.32Å; F324-V392 PolarHBondContact O-N 2.74Å; F324-V392 VanDerWaalsContact O-O 3.14Å; F336-V392 HydrophobicContact CB-CG2 3.77Å; V339-V392 HydrophobicContact CB-CG2 4.02Å; V339-V392 HydrophobicContact CG1-CG1 4.3Å; V339-V392 HydrophobicContact CG1-CG2 4.02Å; V339-V392 HydrophobicContact CG2-CG2 4.17Å; L350-V392 HydrophobicContact CD1-CG1 4.05Å; L350-V392 HydrophobicContact CD2-CG1 3.92Å; L350-V392 HydrophobicContact CG-CG1 4.48Å; T352-V392 HydrophobicContact CG2-CG2 4.29Å
393R93.7Very high89.4Confident7 Ų733.4 Ų33.43%0.02619%0.189CC..EExtended strand (participates in β ladder)trans-130.2127176.2-177.5-172.578176.91.4110.3D8 N150 T321 V322 R351 F355D8-R393 IonicContact OD1-CZ 2.76Å; D8-R393 IonicContact OD1-NE 3.65Å; D8-R393 IonicContact OD1-NH2 3.77Å; D8-R393 PolarHBondContact OD1-NH2 2.86Å; N150-R393 WeakPolarHBondContact O-CD 3.44Å; N150-R393 PolarHBondContact O-NH1 2.89Å; T321-R393 HydrophobicContact CG2-CG 3.46Å; T321-R393 VanDerWaalsContact CG2-CG 3.46Å; V322-R393 WeakPolarHBondContact O-CA 3.47Å; R351-R393 HydrophobicContact CB-CB 4.38Å; R351-R393 PolarHBondContact N-O 3.4Å; R351-R393 VanDerWaalsContact N-O 3.09Å; R351-R393 PolarHBondContact O-N 3.4Å; F355-R393 HydrophobicContact CD1-CB 4.15Å; F355-R393 HydrophobicContact CD2-CB 4.15Å; F355-R393 HydrophobicContact CE1-CB 3.58Å; F355-R393 HydrophobicContact CE2-CB 3.62Å; F355-R393 HydrophobicContact CE2-CG 4.41Å; F355-R393 HydrophobicContact CG-CB 4.42Å; F355-R393 HydrophobicContact CZ-CB 3.3Å; F355-R393 HydrophobicContact CZ-CG 4.49Å
394I96.8Very high90.4Very high0 Ų031.9 Ų31.90%018%0.179CC..EExtended strand (participates in β ladder)trans-108.9148.416459.8166000109.3L7 A288 T321 V322 F324 L350 F396 F408L7-I394 HydrophobicContact CB-CB 4.01Å; L7-I394 HydrophobicContact CB-CG2 3.97Å; L7-I394 HydrophobicContact CD1-CB 4.27Å; L7-I394 HydrophobicContact CD1-CG2 3.77Å; L7-I394 HydrophobicContact CG-CG2 4.48Å; L7-I394 CarbonylContact O-C 3.54Å; L7-I394 WeakPolarHBondContact O-CA 3.25Å; A288-I394 HydrophobicContact CB-CD1 3.87Å; T321-I394 WeakPolarHBondContact CA-O 3.3Å; V322-I394 HydrophobicContact CB-CD1 4.22Å; V322-I394 HydrophobicContact CB-CG1 3.82Å; V322-I394 HydrophobicContact CG2-CD1 4.49Å; V322-I394 HydrophobicContact CG2-CG1 4.43Å; V322-I394 PolarHBondContact N-O 3.1Å; V322-I394 PolarHBondContact O-N 2.82Å; F324-I394 HydrophobicContact CE1-CG1 4.16Å; F324-I394 HydrophobicContact CE1-CG2 4.24Å; L350-I394 HydrophobicContact CB-CG2 4.14Å; I394-F396 HydrophobicContact CD1-CE2 4.03Å; I394-F396 HydrophobicContact CD1-CZ 4.07Å; I394-F408 HydrophobicContact CD1-CD1 3.76Å; I394-F408 HydrophobicContact CD1-CE1 3.4Å; I394-F408 HydrophobicContact CD1-CE2 4.24Å; I394-F408 HydrophobicContact CD1-CG 4.33Å; I394-F408 HydrophobicContact CD1-CZ 3.67Å; I394-F408 HydrophobicContact CG1-CZ 4.43Å; I394-F408 HydrophobicContact CG2-CD2 4.09Å; I394-F408 HydrophobicContact CG2-CE2 3.71Å; I394-F408 HydrophobicContact CG2-CZ 4.1Å
395S95.8Very high91.4Very high0 Ų030 Ų300%017%0.169CC..EExtended strand (participates in β ladder)trans-150.6136.7-179.8500000110L7 D8 H9 A10 G320L7-S395 CarbonylContact C-O 3.46Å; L7-S395 WeakPolarHBondContact CA-O 3.37Å; L7-S395 PolarHBondContact O-N 3.37Å; L7-S395 PolarHBondContact O-OG 2.95Å; D8-S395 VanDerWaalsContact C-OG 3.24Å; D8-S395 WeakPolarHBondContact CA-OG 3.27Å; H9-S395 PolarHBondContact CD2-O 2.84Å; H9-S395 PolarHBondContact N-OG 3.31Å; A10-S395 PolarHBondContact N-OG 2.89Å; G320-S395 CarbonylContact O-C 3.51Å; G320-S395 VanDerWaalsContact O-CA 3.22Å; G320-S395 WeakPolarHBondContact O-CA 3.41Å
396F96.1Very high92.4Very high6 Ų625 Ų253%0.02615%0.146CC..  trans-104.6150.5-179.5-57.4-86.4000110.4L7 H9 V281 L284 A285 A288 G320 I394 S400 V405L7-F396 HydrophobicContact CD2-CD1 3.89Å; L7-F396 HydrophobicContact CD2-CE1 3.41Å; L7-F396 VanDerWaalsContact CD2-CE1 3.41Å; L7-F396 HydrophobicContact CD2-CZ 3.98Å; H9-F396 VanDerWaalsContact CB-C 3.5Å; V281-F396 HydrophobicContact CG1-CB 4.18Å; V281-F396 VanDerWaalsContact CG1-O 3.31Å; V281-F396 WeakPolarHBondContact CG1-O 3.39Å; L284-F396 HydrophobicContact CB-CB 4.24Å; L284-F396 HydrophobicContact CB-CD1 4Å; L284-F396 HydrophobicContact CB-CD2 4.25Å; L284-F396 HydrophobicContact CB-CE1 4.44Å; L284-F396 HydrophobicContact CB-CG 3.89Å; L284-F396 HydrophobicContact CD1-CB 4.34Å; L284-F396 HydrophobicContact CD1-CD1 4.31Å; A285-F396 HydrophobicContact CB-CD2 3.78Å; A285-F396 HydrophobicContact CB-CE2 4.18Å; A288-F396 HydrophobicContact CB-CE2 3.81Å; A288-F396 HydrophobicContact CB-CZ 3.79Å; G320-F396 WeakPolarHBondContact O-CD2 3.32Å; G320-F396 PolarHBondContact O-N 2.54Å; I394-F396 HydrophobicContact CD1-CE2 4.03Å; I394-F396 HydrophobicContact CD1-CZ 4.07Å; F396-S400 WeakPolarHBondContact CA-OG 3.44Å; F396-V405 HydrophobicContact CD1-CG2 4.34Å; F396-V405 HydrophobicContact CE1-CG2 3.51Å; F396-V405 HydrophobicContact CZ-CG2 3.69Å
397G93.8Very high93.2Very high7 Ų728.1 Ų28.17%0.07214%0.142CC..  trans-135.9-171.2178.200000112H9 V281 T399 S400H9-G397 PolarHBondContact CD2-N 2.97Å; H9-G397 VanDerWaalsContact CD2-N 3.34Å; H9-G397 WeakPolarHBondContact ND1-CA 3.4Å; V281-G397 WeakPolarHBondContact CG2-O 3.08Å; G397-T399 PolarHBondContact O-N 3.41Å; G397-S400 PolarHBondContact N-OG 2.94Å; G397-S400 WeakPolarHBondContact O-CB 3.49Å; G397-S400 PolarHBondContact O-N 2.92Å; G397-S400 PolarHBondContact O-OG 2.89Å
398W92Very high94Very high46 Ų4623.7 Ų23.717%0.17412%0.121CC..THydrogen-bonded Turntrans-64.8-19.8-17374.2-50.2000114.9T13 E14 T16 F201 A267 I268 A271 I277T13-W398 VanDerWaalsContact OG1-CD1 3.31Å; E14-W398 PolarHBondContact O-NE1 2.97Å; T16-W398 HydrophobicContact CG2-CH2 3.65Å; T16-W398 HydrophobicContact CG2-CZ2 3.77Å; T16-W398 HydrophobicContact CG2-CZ3 4.38Å; F201-W398 HydrophobicContact CB-CH2 4.45Å; F201-W398 HydrophobicContact CB-CZ2 4.02Å; A267-W398 HydrophobicContact CB-CH2 3.44Å; A267-W398 VanDerWaalsContact CB-CH2 3.44Å; A267-W398 HydrophobicContact CB-CZ3 3.62Å; I268-W398 HydrophobicContact CG1-CE3 4.48Å; A271-W398 HydrophobicContact CB-CE3 4.38Å; I277-W398 HydrophobicContact CD1-CB 4.07Å; I277-W398 HydrophobicContact CG1-CB 4.27Å; I277-W398 HydrophobicContact CG2-CB 3.72Å
399T92.3Very high94.5Very high43 Ų4324.8 Ų24.826%0.26413%0.127SC..THydrogen-bonded Turntrans-93.1-9.3174.8530000113.5H9 E14 T16 G397H9-T399 PolarHBondContact CE1-OG1 3.25Å; H9-T399 VanDerWaalsContact CE1-OG1 3.26Å; E14-T399 PolarHBondContact OE2-OG1 3.11Å; T16-T399 HydrophobicContact CG2-CG2 4.17Å; G397-T399 PolarHBondContact O-N 3.41Å
400S95.1Very high95.1Very high8 Ų827.1 Ų27.16%0.05614%0.143CC..  trans-70145.8-177.6-52.30000112.4H9 F396 G397 D404H9-S400 PolarHBondContact CD2-OG 3.13Å; H9-S400 PolarHBondContact NE2-OG 2.83Å; F396-S400 WeakPolarHBondContact CA-OG 3.44Å; G397-S400 PolarHBondContact N-OG 2.94Å; G397-S400 WeakPolarHBondContact O-CB 3.49Å; G397-S400 PolarHBondContact O-N 2.92Å; G397-S400 PolarHBondContact O-OG 2.89Å; S400-D404 WeakPolarHBondContact CA-OD2 3.35Å
401V95Very high95.5Very high72 Ų7227.1 Ų27.144%0.43614%0.143SC..  trans-123.4171.1-179.1-62.80000112D403 D404V401-D403 HydrophobicContact CG2-CB 3.95Å; V401-D403 PolarHBondContact O-N 2.86Å; V401-D404 WeakPolarHBondContact CG2-OD2 3.27Å; V401-D404 PolarHBondContact N-OD2 3.21Å; V401-D404 WeakPolarHBondContact O-CB 3.35Å; V401-D404 PolarHBondContact O-N 2.72Å
402E96.6Very high95.8Very high60 Ų6027.1 Ų27.128%0.2814%0.143SC..Hα-helixtrans-65.1-29.9-178.9-153.367.7-161.400113R280 L284 R287 D404 V405 S406R280-E402 IonicContact CZ-OE2 2.66Å; R280-E402 IonicContact NH1-OE2 3.13Å; R280-E402 PolarHBondContact NH1-OE2 3.06Å; R280-E402 IonicContact NH2-OE2 3.15Å; R280-E402 PolarHBondContact NH2-OE2 3.22Å; L284-E402 WeakPolarHBondContact CD2-OE2 3.47Å; R287-E402 WeakPolarHBondContact CD-OE1 3.06Å; R287-E402 IonicContact CZ-OE1 2.88Å; R287-E402 IonicContact NE-OE1 3.2Å; R287-E402 VanDerWaalsContact NH1-CD 3.28Å; R287-E402 IonicContact NH1-OE1 2.87Å; R287-E402 PolarHBondContact NH1-OE1 2.93Å; E402-D404 VanDerWaalsContact C-N 3.27Å; E402-D404 PolarHBondContact O-N 2.99Å; E402-V405 PolarHBondContact O-N 3.31Å; E402-S406 PolarHBondContact O-N 3.23Å; E402-S406 VanDerWaalsContact O-N 3.15Å; E402-S406 PolarHBondContact O-OG 3.04Å
403D96.3Very high95.9Very high74 Ų7431.1 Ų31.140%0.39616%0.162SC..Hα-helixtrans-65.7-31.5178.3-162.441.3000111.3V401 V405 S406 R407V401-D403 HydrophobicContact CG2-CB 3.95Å; V401-D403 PolarHBondContact O-N 2.86Å; D403-V405 PolarHBondContact O-N 2.84Å; D403-S406 PolarHBondContact O-N 3.37Å; D403-R407 WeakPolarHBondContact O-CB 3.38Å; D403-R407 WeakPolarHBondContact O-CG 3.42Å; D403-R407 PolarHBondContact O-N 3.46Å; D403-R407 IonicContact OD2-CZ 2.69Å; D403-R407 IonicContact OD2-NE 3.14Å; D403-R407 IonicContact OD2-NH1 3.82Å; D403-R407 PolarHBondContact OD2-NH1 3.19Å; D403-R407 VanDerWaalsContact OD2-NH1 3.12Å; D403-R407 IonicContact OD2-NH2 2.72Å; D403-R407 PolarHBondContact OD2-NH2 2.86Å
404D97Very high95.8Very high15 Ų1534.5 Ų34.58%0.0818%0.178CC..Hα-helixtrans-63.4-42.2175.1-63.6-42000111.8T5 L7 S400 V401 E402 S406 F408T5-D404 HydrophobicContact CG2-CB 3.8Å; T5-D404 PolarHBondContact OG1-OD1 3.44Å; L7-D404 HydrophobicContact CD2-CB 4.32Å; S400-D404 WeakPolarHBondContact CA-OD2 3.35Å; V401-D404 WeakPolarHBondContact CG2-OD2 3.27Å; V401-D404 PolarHBondContact N-OD2 3.21Å; V401-D404 WeakPolarHBondContact O-CB 3.35Å; V401-D404 PolarHBondContact O-N 2.72Å; E402-D404 VanDerWaalsContact C-N 3.27Å; E402-D404 PolarHBondContact O-N 2.99Å; D404-S406 VanDerWaalsContact C-N 3.31Å; D404-F408 VanDerWaalsContact O-CB 3.27Å; D404-F408 WeakPolarHBondContact O-CB 3.48Å; D404-F408 PolarHBondContact O-N 2.83Å
405V97.8Very high95.4Very high0 Ų035 Ų350%018%0.182CC..Hα-helixtrans-64.7-41.1175.6-179.90000110.3L284 R287 A288 F396 E402 D403 F408 L409L284-V405 HydrophobicContact CB-CG2 4.01Å; L284-V405 HydrophobicContact CD2-CG2 3.72Å; L284-V405 HydrophobicContact CG-CG2 4.48Å; R287-V405 HydrophobicContact CB-CG1 4.17Å; R287-V405 HydrophobicContact CG-CG1 3.88Å; A288-V405 HydrophobicContact CB-CG1 4.04Å; F396-V405 HydrophobicContact CD1-CG2 4.34Å; F396-V405 HydrophobicContact CE1-CG2 3.51Å; F396-V405 HydrophobicContact CZ-CG2 3.69Å; E402-V405 PolarHBondContact O-N 3.31Å; D403-V405 PolarHBondContact O-N 2.84Å; V405-F408 PolarHBondContact O-N 3.34Å; V405-L409 HydrophobicContact CG1-CD1 3.95Å; V405-L409 HydrophobicContact CG1-CG 4.4Å; V405-L409 WeakPolarHBondContact O-CG 3.39Å; V405-L409 PolarHBondContact O-N 2.88Å
406S97.2Very high95.3Very high35 Ų3535.6 Ų35.625%0.24518%0.184CC..Hα-helixtrans-68.4-48.1-176.3-540000110.6R287 E402 D403 D404 F408 L409 S410R287-S406 PolarHBondContact NH2-OG 3.26Å; E402-S406 PolarHBondContact O-N 3.23Å; E402-S406 VanDerWaalsContact O-N 3.15Å; E402-S406 PolarHBondContact O-OG 3.04Å; D403-S406 PolarHBondContact O-N 3.37Å; D404-S406 VanDerWaalsContact C-N 3.31Å; S406-F408 VanDerWaalsContact C-N 3.34Å; S406-F408 PolarHBondContact O-N 3.39Å; S406-L409 PolarHBondContact O-N 3.34Å; S406-S410 WeakPolarHBondContact O-CB 3.43Å; S406-S410 PolarHBondContact O-N 2.96Å; S406-S410 PolarHBondContact O-OG 2.99Å
407R96.1Very high95.2Very high115 Ų11536.2 Ų36.243%0.43419%0.189SC..Hα-helixtrans-58.1-43.7173.2-74.6-176.2-178.3126.710.9112.5T5 D403 F411T5-R407 WeakPolarHBondContact OG1-CD 3.27Å; D403-R407 WeakPolarHBondContact O-CB 3.38Å; D403-R407 WeakPolarHBondContact O-CG 3.42Å; D403-R407 PolarHBondContact O-N 3.46Å; D403-R407 IonicContact OD2-CZ 2.69Å; D403-R407 IonicContact OD2-NE 3.14Å; D403-R407 IonicContact OD2-NH1 3.82Å; D403-R407 PolarHBondContact OD2-NH1 3.19Å; D403-R407 VanDerWaalsContact OD2-NH1 3.12Å; D403-R407 IonicContact OD2-NH2 2.72Å; D403-R407 PolarHBondContact OD2-NH2 2.86Å; R407-F411 VanDerWaalsContact O-CB 3.27Å; R407-F411 WeakPolarHBondContact O-CB 3.45Å; R407-F411 PolarHBondContact O-N 3.18Å
408F98Very high95Very high0 Ų037.3 Ų37.30%019%0.192CC..Hα-helixtrans-60.6-48.3176.7169.5-105.5000112.4L7 L292 F324 I394 D404 V405 S406 F411 I412L7-F408 HydrophobicContact CD1-CB 3.88Å; L7-F408 HydrophobicContact CD1-CD2 3.78Å; L7-F408 HydrophobicContact CD1-CG 3.97Å; L292-F408 HydrophobicContact CD1-CE1 3.96Å; L292-F408 HydrophobicContact CD1-CZ 4.11Å; L292-F408 HydrophobicContact CD2-CE1 3.96Å; L292-F408 HydrophobicContact CD2-CZ 4.03Å; L292-F408 HydrophobicContact CG-CE1 3.96Å; L292-F408 HydrophobicContact CG-CZ 4.35Å; F324-F408 HydrophobicContact CE1-CE2 4.37Å; F324-F408 AromaticContact CE1-CZ 3.8Å; F324-F408 HydrophobicContact CE1-CZ 3.8Å; F324-F408 HydrophobicContact CE2-CZ 4.44Å; F324-F408 AromaticContact CZ-CE2 3.91Å; F324-F408 HydrophobicContact CZ-CE2 3.91Å; F324-F408 AromaticContact CZ-CZ 3.53Å; F324-F408 HydrophobicContact CZ-CZ 3.53Å; I394-F408 HydrophobicContact CD1-CD1 3.76Å; I394-F408 HydrophobicContact CD1-CE1 3.4Å; I394-F408 HydrophobicContact CD1-CE2 4.24Å; I394-F408 HydrophobicContact CD1-CG 4.33Å; I394-F408 HydrophobicContact CD1-CZ 3.67Å; I394-F408 HydrophobicContact CG1-CZ 4.43Å; I394-F408 HydrophobicContact CG2-CD2 4.09Å; I394-F408 HydrophobicContact CG2-CE2 3.71Å; I394-F408 HydrophobicContact CG2-CZ 4.1Å; D404-F408 VanDerWaalsContact O-CB 3.27Å; D404-F408 WeakPolarHBondContact O-CB 3.48Å; D404-F408 PolarHBondContact O-N 2.83Å; V405-F408 PolarHBondContact O-N 3.34Å; S406-F408 VanDerWaalsContact C-N 3.34Å; S406-F408 PolarHBondContact O-N 3.39Å; F408-F411 HydrophobicContact CD2-CD1 4.38Å; F408-F411 WeakPolarHBondContact O-CB 3.33Å; F408-F411 PolarHBondContact O-N 3.16Å; F408-I412 HydrophobicContact CD2-CG1 4.33Å; F408-I412 HydrophobicContact CE1-CG1 4.28Å; F408-I412 HydrophobicContact CE2-CD1 3.9Å; F408-I412 HydrophobicContact CE2-CG1 3.78Å; F408-I412 HydrophobicContact CZ-CD1 4.1Å; F408-I412 HydrophobicContact CZ-CG1 3.75Å; F408-I412 WeakPolarHBondContact O-CG1 3.49Å; F408-I412 PolarHBondContact O-N 3.24Å
409L98.3Very high94.8Very high27 Ų2742 Ų4214%0.14121%0.214CC..Hα-helixtrans-66.9-42.1-179.6-70173.8000111.8L292 V405 S406 F411 I412 E413L292-L409 HydrophobicContact CD2-CD2 4.47Å; L292-L409 HydrophobicContact CG-CD2 4.27Å; V405-L409 HydrophobicContact CG1-CD1 3.95Å; V405-L409 HydrophobicContact CG1-CG 4.4Å; V405-L409 WeakPolarHBondContact O-CG 3.39Å; V405-L409 PolarHBondContact O-N 2.88Å; S406-L409 PolarHBondContact O-N 3.34Å; L409-F411 VanDerWaalsContact C-N 3.31Å; L409-F411 PolarHBondContact O-N 2.89Å; L409-I412 PolarHBondContact O-N 2.96Å; L409-E413 WeakPolarHBondContact O-CB 3.3Å; L409-E413 PolarHBondContact O-N 3.46Å
410S96.2Very high94.4Very high53 Ų5342.7 Ų42.737%0.37122%0.223SC..Hα-helixtrans-59.3-42.9173.8-670000111.5S406 I412 E413 E414S406-S410 WeakPolarHBondContact O-CB 3.43Å; S406-S410 PolarHBondContact O-N 2.96Å; S406-S410 PolarHBondContact O-OG 2.99Å; S410-I412 PolarHBondContact O-N 2.93Å; S410-E413 PolarHBondContact O-N 3.31Å; S410-E414 VanDerWaalsContact O-CB 3.29Å; S410-E414 WeakPolarHBondContact O-CB 3.49Å; S410-E414 VanDerWaalsContact O-CG 3.25Å; S410-E414 WeakPolarHBondContact O-CG 3.36Å; S410-E414 PolarHBondContact O-N 3Å
411F95.8Very high93.5Very high1 Ų146.2 Ų46.20%0.00425%0.246CC..Hα-helixtrans-56.8-48.3173.8156.4-108.2000112.6V339 M342 A343 Y346 I348 R407 F408 L409 E414 C415 F416V339-F411 HydrophobicContact CG1-CE1 4.37Å; V339-F411 HydrophobicContact CG1-CZ 4.38Å; M342-F411 HydrophobicContact CB-CE2 3.76Å; M342-F411 HydrophobicContact CB-CZ 4.04Å; A343-F411 HydrophobicContact CB-CE1 4.11Å; A343-F411 HydrophobicContact CB-CE2 4.36Å; A343-F411 HydrophobicContact CB-CZ 3.73Å; Y346-F411 HydrophobicContact CD1-CD2 4.24Å; Y346-F411 AromaticContact CD2-CD2 3.74Å; Y346-F411 HydrophobicContact CD2-CD2 3.74Å; Y346-F411 HydrophobicContact CD2-CE2 4.05Å; Y346-F411 HydrophobicContact CE2-CD2 4.26Å; Y346-F411 AromaticContact CG-CD2 3.72Å; Y346-F411 HydrophobicContact CG-CD2 3.72Å; Y346-F411 HydrophobicContact CG-CE2 4.38Å; I348-F411 HydrophobicContact CD1-CB 3.37Å; I348-F411 HydrophobicContact CD1-CD1 3.84Å; I348-F411 HydrophobicContact CD1-CD2 4.23Å; I348-F411 HydrophobicContact CD1-CG 3.55Å; R407-F411 VanDerWaalsContact O-CB 3.27Å; R407-F411 WeakPolarHBondContact O-CB 3.45Å; R407-F411 PolarHBondContact O-N 3.18Å; F408-F411 HydrophobicContact CD2-CD1 4.38Å; F408-F411 WeakPolarHBondContact O-CB 3.33Å; F408-F411 PolarHBondContact O-N 3.16Å; L409-F411 VanDerWaalsContact C-N 3.31Å; L409-F411 PolarHBondContact O-N 2.89Å; F411-E414 PolarHBondContact O-N 3.31Å; F411-C415 HydrophobicContact CD2-CB 4.46Å; F411-C415 HydrophobicContact CE2-CB 4.28Å; F411-C415 VanDerWaalsContact O-CB 3.3Å; F411-C415 WeakPolarHBondContact O-CB 3.4Å; F411-C415 PolarHBondContact O-N 3.17Å; F411-C415 PolarHBondContact O-SG 3.05Å; F411-C415 VanDerWaalsContact O-SG 3.34Å; F411-F416 HydrophobicContact CE1-CE2 4.19Å; F411-F416 HydrophobicContact CE2-CE2 4.09Å; F411-F416 AromaticContact CZ-CE2 3.65Å; F411-F416 HydrophobicContact CZ-CE2 3.65Å; F411-F416 HydrophobicContact CZ-CZ 4.46Å
412I97.7Very high92Very high0 Ų047 Ų470%025%0.247CC..Hα-helixtrans-64.2-44.7178.8-60.4-67.5000110.7L292 L295 V303 F324 L326 F408 L409 S410 E414 F416 V417L292-I412 HydrophobicContact CD2-CG1 4.23Å; L292-I412 HydrophobicContact CD2-CG2 4.22Å; L295-I412 HydrophobicContact CD1-CB 4.13Å; L295-I412 HydrophobicContact CD1-CG2 3.54Å; V303-I412 HydrophobicContact CG1-CG2 4.28Å; F324-I412 HydrophobicContact CE2-CD1 4.38Å; L326-I412 HydrophobicContact CD1-CD1 3.92Å; L326-I412 HydrophobicContact CD1-CG2 4.49Å; L326-I412 HydrophobicContact CD2-CD1 4.5Å; L326-I412 HydrophobicContact CD2-CG2 4.13Å; F408-I412 HydrophobicContact CD2-CG1 4.33Å; F408-I412 HydrophobicContact CE1-CG1 4.28Å; F408-I412 HydrophobicContact CE2-CD1 3.9Å; F408-I412 HydrophobicContact CE2-CG1 3.78Å; F408-I412 HydrophobicContact CZ-CD1 4.1Å; F408-I412 HydrophobicContact CZ-CG1 3.75Å; F408-I412 WeakPolarHBondContact O-CG1 3.49Å; F408-I412 PolarHBondContact O-N 3.24Å; L409-I412 PolarHBondContact O-N 2.96Å; S410-I412 PolarHBondContact O-N 2.93Å; I412-E414 VanDerWaalsContact C-N 3.35Å; I412-E414 PolarHBondContact O-N 2.89Å; I412-F416 HydrophobicContact CD1-CD2 4.19Å; I412-F416 PolarHBondContact O-N 3.28Å; I412-V417 PolarHBondContact O-N 3.3Å
413E95.9Very high90Very high85 Ų8552.9 Ų52.940%0.39728%0.275SS..Hα-helixtrans-60.8-44.6178.5-169.4-177.6164.800111.9L295 L409 S410 V417 K419L295-E413 HydrophobicContact CD2-CB 4.24Å; L295-E413 HydrophobicContact CD2-CG 4.31Å; L409-E413 WeakPolarHBondContact O-CB 3.3Å; L409-E413 PolarHBondContact O-N 3.46Å; S410-E413 PolarHBondContact O-N 3.31Å; E413-V417 HydrophobicContact CB-CG2 4.42Å; E413-V417 HydrophobicContact CG-CB 4.46Å; E413-V417 HydrophobicContact CG-CG2 4.29Å; E413-V417 VanDerWaalsContact O-CB 3.32Å; E413-V417 WeakPolarHBondContact O-CB 3.27Å; E413-K419 IonicContact OE1-NZ 2.72Å
414E91.1Very high87.6Confident77 Ų7755.9 Ų55.936%0.3628%0.284SS..Hα-helixtrans-71-39.3-178.2-75.3177-154.300112.7Y346 S410 F411 I412 K636Y346-E414 WeakPolarHBondContact CE1-OE2 3.35Å; Y346-E414 PolarHBondContact OH-OE2 2.89Å; Y346-E414 VanDerWaalsContact OH-OE2 3.08Å; S410-E414 VanDerWaalsContact O-CB 3.29Å; S410-E414 WeakPolarHBondContact O-CB 3.49Å; S410-E414 VanDerWaalsContact O-CG 3.25Å; S410-E414 WeakPolarHBondContact O-CG 3.36Å; S410-E414 PolarHBondContact O-N 3Å; F411-E414 PolarHBondContact O-N 3.31Å; I412-E414 VanDerWaalsContact C-N 3.35Å; I412-E414 PolarHBondContact O-N 2.89Å; E414-K636 WeakPolarHBondContact O-CE 3.47Å; E414-K636 PolarHBondContact O-NZ 3.31Å
415C90.3Very high85.1Confident12 Ų1260.3 Ų60.38%0.08131%0.307CS..Hα-helixtrans-94.3-31.1-169.9-62.90000113.9M342 Y346 F411M342-C415 HydrophobicContact CE-CB 4.05Å; M342-C415 VanDerWaalsContact CE-SG 3.51Å; Y346-C415 WeakPolarHBondContact CE2-SG 3.16Å; Y346-C415 VanDerWaalsContact CZ-SG 3.56Å; F411-C415 HydrophobicContact CD2-CB 4.46Å; F411-C415 HydrophobicContact CE2-CB 4.28Å; F411-C415 VanDerWaalsContact O-CB 3.3Å; F411-C415 WeakPolarHBondContact O-CB 3.4Å; F411-C415 PolarHBondContact O-N 3.17Å; F411-C415 PolarHBondContact O-SG 3.05Å; F411-C415 VanDerWaalsContact O-SG 3.34Å
416F93.6Very high82.4Confident11 Ų1168.6 Ų68.65%0.04834%0.338CS..Hα-helixtrans-123.7-11.5-167.1-60.2-73.6000114H297 L326 V334 E338 V339 M342 F411 I412 E418H297-F416 PolarHBondContact CE1-O 3.05Å; L326-F416 HydrophobicContact CD1-CB 3.87Å; L326-F416 HydrophobicContact CD1-CD1 3.98Å; L326-F416 HydrophobicContact CD1-CD2 3.56Å; L326-F416 HydrophobicContact CD1-CE1 4.48Å; L326-F416 HydrophobicContact CD1-CE2 4.1Å; L326-F416 HydrophobicContact CD1-CG 3.5Å; L326-F416 VanDerWaalsContact CD1-CG 3.5Å; V334-F416 HydrophobicContact CG1-CD1 3.96Å; V334-F416 HydrophobicContact CG1-CE1 3.8Å; V334-F416 HydrophobicContact CG2-CD1 4.45Å; E338-F416 HydrophobicContact CG-CE1 3.95Å; V339-F416 HydrophobicContact CB-CZ 4.3Å; V339-F416 HydrophobicContact CG1-CE2 4.36Å; V339-F416 HydrophobicContact CG1-CZ 4.46Å; V339-F416 HydrophobicContact CG2-CE1 4.23Å; V339-F416 HydrophobicContact CG2-CE2 4.46Å; V339-F416 HydrophobicContact CG2-CZ 4Å; M342-F416 HydrophobicContact CB-CE2 4.28Å; M342-F416 HydrophobicContact CB-CZ 3.87Å; M342-F416 HydrophobicContact CG-CZ 3.9Å; F411-F416 HydrophobicContact CE1-CE2 4.19Å; F411-F416 HydrophobicContact CE2-CE2 4.09Å; F411-F416 AromaticContact CZ-CE2 3.65Å; F411-F416 HydrophobicContact CZ-CE2 3.65Å; F411-F416 HydrophobicContact CZ-CZ 4.46Å; I412-F416 HydrophobicContact CD1-CD2 4.19Å; I412-F416 PolarHBondContact O-N 3.28Å; F416-E418 PolarHBondContact O-N 3.19Å
417V93.6Very high79.7Confident20 Ų2072.1 Ų72.112%0.12135%0.35CS..  trans-86.4102.8174.6-176.80000110.1L295 R296 V303 I412 E413 K419L295-V417 HydrophobicContact CB-CG2 4.35Å; L295-V417 HydrophobicContact CD1-CG2 4.39Å; L295-V417 HydrophobicContact CD2-CG2 4.29Å; R296-V417 WeakPolarHBondContact O-CG1 3.48Å; V303-V417 HydrophobicContact CB-CG2 4.39Å; V303-V417 HydrophobicContact CG1-CG2 3.91Å; V303-V417 HydrophobicContact CG2-CB 4.47Å; V303-V417 HydrophobicContact CG2-CG1 4.32Å; V303-V417 HydrophobicContact CG2-CG2 3.76Å; I412-V417 PolarHBondContact O-N 3.3Å; E413-V417 HydrophobicContact CB-CG2 4.42Å; E413-V417 HydrophobicContact CG-CB 4.46Å; E413-V417 HydrophobicContact CG-CG2 4.29Å; E413-V417 VanDerWaalsContact O-CB 3.32Å; E413-V417 WeakPolarHBondContact O-CB 3.27Å; V417-K419 PolarHBondContact O-N 3.29Å; V417-K419 VanDerWaalsContact O-N 3.17Å
418E89.6Confident76.9Confident29 Ų2974.1 Ų74.114%0.13636%0.364CS..  trans-63.7110.6170.3-61.4173.9-136.400111H297 Y298 R328 S329 F416H297-E418 CarbonylContact C-O 3.42Å; H297-E418 WeakPolarHBondContact CA-O 3.29Å; H297-E418 PolarHBondContact ND1-N 2.9Å; Y298-E418 HydrophobicContact CD1-CB 4.15Å; Y298-E418 PolarHBondContact N-O 3.01Å; R328-E418 WeakPolarHBondContact CA-OE1 3.49Å; R328-E418 WeakPolarHBondContact CB-OE1 3.49Å; S329-E418 WeakPolarHBondContact CB-OE2 3.39Å; S329-E418 PolarHBondContact N-OE1 3.48Å; S329-E418 PolarHBondContact OG-OE2 3.31Å; F416-E418 PolarHBondContact O-N 3.19Å
419K88.3Confident74.1Confident146 Ų14677.9 Ų77.964%0.63538%0.378SS*.  trans-87.8-13.3-178.5-60.1-170.7178.8-173.10114.1Y298 E413 V417Y298-K419 WeakPolarHBondContact CB-O 3.47Å; E413-K419 IonicContact OE1-NZ 2.72Å; V417-K419 PolarHBondContact O-N 3.29Å; V417-K419 VanDerWaalsContact O-N 3.17Å
420A82Confident71.3Confident57 Ų5783.5 Ų83.547%0.47141%0.408SS..SBendtrans-150.4162175.300000108.9Y298 L422Y298-A420 VanDerWaalsContact CD1-C 3.45Å; Y298-A420 WeakPolarHBondContact CD1-O 3.42Å; A420-L422 PolarHBondContact O-N 2.97Å
421P77.3Confident68.6Low81 Ų8183.1 Ų83.153%0.52641%0.413SS..  trans-54.9130.5168.1-13.923.9000109.4Y298 E423Y298-P421 HydrophobicContact CD2-CG 4.12Å; Y298-P421 HydrophobicContact CE1-CB 4.44Å; Y298-P421 HydrophobicContact CE1-CG 4.49Å; Y298-P421 HydrophobicContact CE2-CB 4.22Å; Y298-P421 HydrophobicContact CE2-CG 3.55Å; P421-E423 PolarHBondContact O-N 3.17Å
422L63.8Low66Low89 Ų8992 Ų9247%0.46646%0.455SS..  trans-63.9101.9169.5-81.1159.2000108.1A420 K424 T640A420-L422 PolarHBondContact O-N 2.97Å; L422-K424 PolarHBondContact O-N 2.93Å; L422-T640 HydrophobicContact CD2-CG2 3.76Å
423E53.1Low63.4Low183 Ų183100.1 Ų100.186%0.85549%0.492SS*.  trans-62.197153.2-83.4-172.3165.800105.5P421 L425P421-E423 PolarHBondContact O-N 3.17Å; E423-L425 PolarHBondContact O-N 3.21Å
424K47.7Very low60.9Low138 Ų13898.7 Ų98.760%0.649%0.487SS*.  trans-58110.4168.3-76.1-175.4172.9179.30105.5L422 R426L422-K424 PolarHBondContact O-N 2.93Å; K424-R426 HydrophobicContact CB-CG 4.05Å; K424-R426 PolarHBondContact O-N 3.15Å
425L43.5Very low58.9Low107 Ų107103.4 Ų103.456%0.5651%0.514SS*.  trans-62.870.4156.7-78.2159.4000106.9E423 F427 L641E423-L425 PolarHBondContact O-N 3.21Å; L425-F427 PolarHBondContact O-N 2.71Å; L425-L641 HydrophobicContact CD1-CD2 3.86Å
426R41.4Very low57.2Low174 Ų174112.4 Ų112.466%0.65755%0.552SS**  trans-77.1102.4161.4-80.1-172.6-169.5-153.56.4104.4K424 E428K424-R426 HydrophobicContact CB-CG 4.05Å; K424-R426 PolarHBondContact O-N 3.15Å; R426-E428 PolarHBondContact O-N 2.89Å
427F40.5Very low56.3Low110 Ų110117.2 Ų117.248%0.48257%0.569SS.*  trans-67.695.1159.9-140.7-93.6000106.1L425 W429 E592L425-F427 PolarHBondContact O-N 2.71Å; F427-W429 VanDerWaalsContact C-N 3.3Å; F427-W429 PolarHBondContact O-N 3.23Å; F427-W429 VanDerWaalsContact O-N 3.09Å; F427-E592 HydrophobicContact CE1-CB 4.41Å
428E37.6Very low55.9Low156 Ų156120.2 Ų120.273%0.72959%0.588SS**  trans-73.994.6166.4-78-171.3170.300106.8R426 N430R426-E428 PolarHBondContact O-N 2.89Å; E428-N430 PolarHBondContact O-N 3.4Å; E428-N430 PolarHBondContact O-OD1 2.96Å
429W39.2Very low56Low79 Ų79119.5 Ų119.530%0.29958%0.584SS.*  trans-73.1112.8171.1-179.374.6000108.9F427 G431 L434F427-W429 VanDerWaalsContact C-N 3.3Å; F427-W429 PolarHBondContact O-N 3.23Å; F427-W429 VanDerWaalsContact O-N 3.09Å; W429-G431 PolarHBondContact O-N 3.41Å; W429-L434 HydrophobicContact CH2-CD1 3.12Å; W429-L434 HydrophobicContact CH2-CD2 4.09Å; W429-L434 HydrophobicContact CH2-CG 3.39Å; W429-L434 HydrophobicContact CZ2-CD1 3.75Å; W429-L434 HydrophobicContact CZ2-CD2 3.83Å; W429-L434 HydrophobicContact CZ2-CG 3.47Å; W429-L434 VanDerWaalsContact CZ2-CG 3.47Å; W429-L434 HydrophobicContact CZ3-CD1 3.99Å
430N39.8Very low56.4Low145 Ų145117.2 Ų117.278%0.77557%0.574SS**  trans-81.793.3178.117.1-3.9000108.4E428 E432E428-N430 PolarHBondContact O-N 3.4Å; E428-N430 PolarHBondContact O-OD1 2.96Å; N430-E432 PolarHBondContact O-N 3.35Å
431G39.1Very low57.1Low45 Ų45114.5 Ų114.546%0.46455%0.552SS.*  trans-78.357.9-161.700000118.7W429W429-G431 PolarHBondContact O-N 3.41Å
432E41.9Very low58Low189 Ų189112.2 Ų112.288%0.88353%0.534SS*.  trans-110.34-179.2-78.6-167.1154.800117.3N430N430-E432 PolarHBondContact O-N 3.35Å
433E42.5Very low59.6Low169 Ų169109.1 Ų109.179%0.7952%0.517SS*.  trans-137.977.8176.6-75.1-165.5141.100114.1
434L43.5Very low61.7Low55 Ų55100.4 Ų100.429%0.28848%0.476SS..  trans-110.65.7-173.1-95.3-179000118.8W429 V675W429-L434 HydrophobicContact CH2-CD1 3.12Å; W429-L434 HydrophobicContact CH2-CD2 4.09Å; W429-L434 HydrophobicContact CH2-CG 3.39Å; W429-L434 HydrophobicContact CZ2-CD1 3.75Å; W429-L434 HydrophobicContact CZ2-CD2 3.83Å; W429-L434 HydrophobicContact CZ2-CG 3.47Å; W429-L434 VanDerWaalsContact CZ2-CG 3.47Å; W429-L434 HydrophobicContact CZ3-CD1 3.99Å; L434-V675 HydrophobicContact CD1-CB 3.41Å; L434-V675 VanDerWaalsContact CD1-CB 3.41Å; L434-V675 HydrophobicContact CD1-CG1 4.26Å; L434-V675 HydrophobicContact CD1-CG2 3.31Å; L434-V675 HydrophobicContact CD2-CG2 4.12Å; L434-V675 HydrophobicContact CG-CG2 4.38Å
435L49.6Very low64Low177 Ų17794.2 Ų94.293%0.92745%0.449SS*.SBendtrans-114.513.3-178.1-73.7168000114.9
436K54.7Low66.4Low200 Ų20089.1 Ų89.187%0.8742%0.423SS*.SBendtrans-134.5-9.2-175.1-71.6-174.5-178.4173.90117.6
437R73.8Confident68.8Low112 Ų11280.9 Ų80.942%0.42339%0.391SS..  trans-87.3117.5177.8-66.4-176.878.6177.72.3109.4F439 E592R437-F439 HydrophobicContact CB-CE1 3.87Å; R437-F439 HydrophobicContact CB-CE2 4.49Å; R437-F439 HydrophobicContact CB-CZ 3.77Å; R437-E592 IonicContact CZ-OE1 3.72Å; R437-E592 IonicContact NH1-OE1 2.72Å; R437-E592 IonicContact NH2-OE1 3.49Å; R437-E592 PolarHBondContact NH2-OE1 2.87Å
438V84.2Confident71.2Confident84 Ų8475.6 Ų75.651%0.50937%0.368SS..  trans-99.9117.7173.6-173.70000107.2P670 Y672V438-P670 HydrophobicContact CG1-CB 3.46Å; V438-P670 VanDerWaalsContact CG1-CB 3.46Å; V438-Y672 HydrophobicContact CB-CE1 4.35Å; V438-Y672 HydrophobicContact CG1-CE1 4.16Å; V438-Y672 HydrophobicContact CG2-CD1 4.32Å; V438-Y672 HydrophobicContact CG2-CE1 3.55Å
439F93.2Very high73.7Confident14 Ų1468.2 Ų68.26%0.06133%0.334CS..EExtended strand (participates in β ladder)trans-93.6-179.1174.8-46.6-65.1000109.5R437 E589 G590 A591 E595 W599 P670 V671R437-F439 HydrophobicContact CB-CE1 3.87Å; R437-F439 HydrophobicContact CB-CE2 4.49Å; R437-F439 HydrophobicContact CB-CZ 3.77Å; F439-E589 WeakPolarHBondContact CB-O 3.27Å; F439-G590 WeakPolarHBondContact CD1-O 3.23Å; F439-A591 HydrophobicContact CD1-CB 3.87Å; F439-A591 VanDerWaalsContact CE1-CA 3.48Å; F439-A591 HydrophobicContact CE1-CB 3.76Å; F439-A591 HydrophobicContact CE2-CB 4.47Å; F439-A591 HydrophobicContact CG-CB 4.25Å; F439-A591 HydrophobicContact CZ-CB 4.07Å; F439-E595 WeakPolarHBondContact CZ-OE1 3.44Å; F439-W599 AromaticContact CD2-CH2 3.6Å; F439-W599 HydrophobicContact CD2-CH2 3.6Å; F439-W599 AromaticContact CD2-CZ2 3.83Å; F439-W599 HydrophobicContact CD2-CZ2 3.83Å; F439-W599 AromaticContact CE2-CH2 3.67Å; F439-W599 HydrophobicContact CE2-CH2 3.67Å; F439-W599 AromaticContact CE2-CZ2 3.36Å; F439-W599 HydrophobicContact CE2-CZ2 3.36Å; F439-W599 HydrophobicContact CG-CH2 4.44Å; F439-W599 HydrophobicContact CZ-CZ2 4.02Å; F439-P670 WeakPolarHBondContact O-CA 3.32Å; F439-V671 HydrophobicContact CB-CB 3.93Å; F439-V671 HydrophobicContact CB-CG1 4.29Å; F439-V671 WeakPolarHBondContact CD2-O 3.47Å; F439-V671 PolarHBondContact N-O 3.18Å; F439-V671 PolarHBondContact O-N 2.9Å
440K95.9Very high76.1Confident97 Ų9766.8 Ų66.842%0.42233%0.33SS..EExtended strand (participates in β ladder)trans-129.2137.6-176.6-170.8-176.4172.6-1660111.2E442 I588 E589 G668K440-E442 PolarHBondContact O-N 3.21Å; K440-I588 CarbonylContact O-C 3.18Å; K440-I588 VanDerWaalsContact O-CA 3.32Å; K440-I588 WeakPolarHBondContact O-CA 2.78Å; K440-E589 PolarHBondContact N-O 3.45Å; K440-E589 PolarHBondContact O-N 2.87Å; K440-G668 VanDerWaalsContact CE-CA 3.45Å
441L97.2Very high78.4Confident0 Ų060.6 Ų60.60%030%0.298CS..EExtended strand (participates in β ladder)trans-74.1113.4165.3179.463.8000108.3I444 L586 I604 L665 G668 D669 V671L441-I444 HydrophobicContact CD1-CG1 4.47Å; L441-I444 HydrophobicContact CD2-CD1 3.86Å; L441-I444 HydrophobicContact CD2-CG1 3.79Å; L441-I444 HydrophobicContact CG-CG1 4.31Å; L441-L586 HydrophobicContact CD1-CB 4.06Å; L441-L586 HydrophobicContact CD1-CD2 4.12Å; L441-I604 HydrophobicContact CB-CG2 4.01Å; L441-I604 HydrophobicContact CD2-CG2 3.84Å; L441-I604 HydrophobicContact CG-CG2 4.42Å; L441-L665 HydrophobicContact CD2-CB 4.18Å; L441-G668 PolarHBondContact O-N 3.01Å; L441-D669 HydrophobicContact CB-CB 4.35Å; L441-D669 PolarHBondContact N-O 3Å; L441-V671 HydrophobicContact CB-CG2 3.96Å
442E96.6Very high80.9Confident34 Ų3458.4 Ų58.416%0.15928%0.276CS..EExtended strand (participates in β ladder)trans-99.7-44.9-168-169.6-131.8154.100112.6K440 R562 V587 E589 I667K440-E442 PolarHBondContact O-N 3.21Å; E442-R562 IonicContact OE1-CZ 3.36Å; E442-R562 IonicContact OE1-NE 3.57Å; E442-R562 PolarHBondContact OE1-NE 3.33Å; E442-R562 IonicContact OE1-NH2 2.73Å; E442-R562 PolarHBondContact OE1-NH2 2.83Å; E442-R562 IonicContact OE2-CZ 2.73Å; E442-R562 IonicContact OE2-NE 2.62Å; E442-R562 PolarHBondContact OE2-NE 2.97Å; E442-R562 IonicContact OE2-NH2 3.61Å; E442-R562 PolarHBondContact OE2-NH2 3.36Å; E442-V587 PolarHBondContact N-O 2.78Å; E442-V587 WeakPolarHBondContact OE2-CG1 3.32Å; E442-E589 HydrophobicContact CB-CB 3.92Å; E442-E589 HydrophobicContact CG-CB 4.13Å; E442-I667 WeakPolarHBondContact O-CG2 3.37Å
443K97Very high83.1Confident24 Ų2451.8 Ų51.810%0.10424%0.242CC..EExtended strand (participates in β ladder)trans-134.7145.8175.5-60.8-173.4175.9-175.30111.5F445 E456 E577 V587K443-F445 HydrophobicContact CB-CE2 4.22Å; K443-F445 HydrophobicContact CB-CZ 4.46Å; K443-F445 HydrophobicContact CD-CE2 4.23Å; K443-F445 HydrophobicContact CD-CZ 3.87Å; K443-E456 WeakPolarHBondContact CD-OE1 3.29Å; K443-E456 WeakPolarHBondContact CE-OE1 3.4Å; K443-E456 IonicContact NZ-OE1 3.12Å; K443-E456 IonicContact NZ-OE2 3.87Å; K443-E577 IonicContact NZ-OE2 3.51Å; K443-E577 PolarHBondContact NZ-OE2 2.71Å; K443-V587 HydrophobicContact CB-CB 3.94Å; K443-V587 HydrophobicContact CB-CG2 3.98Å; K443-V587 PolarHBondContact N-O 3.39Å; K443-V587 PolarHBondContact O-N 3.48Å
444I96.8Very high85.5Confident0 Ų044.7 Ų44.70%021%0.211CC..EExtended strand (participates in β ladder)trans-118.1127166.8-60.1163.7000107.2L441 V457 W461 L468 N585 L586 L665 I667L441-I444 HydrophobicContact CD1-CG1 4.47Å; L441-I444 HydrophobicContact CD2-CD1 3.86Å; L441-I444 HydrophobicContact CD2-CG1 3.79Å; L441-I444 HydrophobicContact CG-CG1 4.31Å; I444-V457 HydrophobicContact CB-CB 3.97Å; I444-V457 HydrophobicContact CB-CG2 4.09Å; I444-V457 HydrophobicContact CG2-CB 4.28Å; I444-V457 HydrophobicContact CG2-CG2 3.84Å; I444-V457 PolarHBondContact O-N 3.45Å; I444-W461 HydrophobicContact CG2-CB 4.18Å; I444-L468 HydrophobicContact CG2-CD1 3.65Å; I444-L468 HydrophobicContact CG2-CD2 4.07Å; I444-N585 WeakPolarHBondContact CA-O 3.38Å; I444-L586 HydrophobicContact CG1-CD2 4.07Å; I444-L586 HydrophobicContact CG2-CD2 4.45Å; I444-L665 HydrophobicContact CD1-CB 3.9Å; I444-I667 HydrophobicContact CB-CD1 4.13Å; I444-I667 HydrophobicContact CD1-CD1 3.91Å; I444-I667 HydrophobicContact CG1-CD1 3.69Å
445F95.6Very high87.8Confident8 Ų843.2 Ų43.24%0.03520%0.204CC..EExtended strand (participates in β ladder)trans-115.6131.5174-69.2-64.8000110.8K443 Y447 P454 E456 L468 I579 A580 P584 N585 V587K443-F445 HydrophobicContact CB-CE2 4.22Å; K443-F445 HydrophobicContact CB-CZ 4.46Å; K443-F445 HydrophobicContact CD-CE2 4.23Å; K443-F445 HydrophobicContact CD-CZ 3.87Å; F445-Y447 HydrophobicContact CB-CE2 3.98Å; F445-P454 HydrophobicContact CB-CB 3.74Å; F445-P454 HydrophobicContact CB-CG 4.4Å; F445-P454 HydrophobicContact CD1-CB 3.59Å; F445-P454 HydrophobicContact CD1-CG 3.59Å; F445-P454 HydrophobicContact CE1-CB 4.48Å; F445-P454 HydrophobicContact CE1-CG 4.02Å; F445-P454 HydrophobicContact CG-CB 3.93Å; F445-P454 HydrophobicContact CG-CG 4.09Å; F445-E456 HydrophobicContact CD1-CB 3.95Å; F445-E456 HydrophobicContact CD1-CG 4.17Å; F445-E456 HydrophobicContact CE1-CB 3.71Å; F445-E456 HydrophobicContact CE1-CG 3.74Å; F445-E456 WeakPolarHBondContact CE1-OE2 3.46Å; F445-E456 HydrophobicContact CZ-CG 4.48Å; F445-L468 VanDerWaalsContact O-CD1 3.31Å; F445-L468 WeakPolarHBondContact O-CD1 3.49Å; F445-I579 HydrophobicContact CE2-CG2 4.38Å; F445-A580 HydrophobicContact CZ-CB 4.33Å; F445-P584 VanDerWaalsContact CB-O 3.31Å; F445-P584 WeakPolarHBondContact CB-O 3.29Å; F445-P584 HydrophobicContact CD2-CG 4.01Å; F445-P584 HydrophobicContact CE2-CG 4.33Å; F445-N585 PolarHBondContact N-O 3.49Å; F445-N585 WeakPolarHBondContact O-CA 3.45Å; F445-N585 PolarHBondContact O-ND2 2.76Å; F445-V587 HydrophobicContact CD2-CG2 4.11Å; F445-V587 HydrophobicContact CE2-CG2 3.86Å
446V93.7Very high90Very high0 Ų039.9 Ų39.90%018%0.184CC..EExtended strand (participates in β ladder)trans-107.6137.1171.5-171.20000107.6P448 P454 V455 V457 W461 L468 D471V446-P448 VanDerWaalsContact C-CD 3.42Å; V446-P448 HydrophobicContact CG1-CG 4Å; V446-P448 VanDerWaalsContact O-CD 3.26Å; V446-P448 WeakPolarHBondContact O-CD 3.35Å; V446-P454 CarbonylContact O-C 3.56Å; V446-P454 WeakPolarHBondContact O-CA 3.48Å; V446-V455 PolarHBondContact N-O 3.5Å; V446-V455 PolarHBondContact O-N 3.05Å; V446-V457 HydrophobicContact CG2-CG2 3.79Å; V446-W461 HydrophobicContact CG2-CD2 3.92Å; V446-W461 HydrophobicContact CG2-CG 3.96Å; V446-W461 HydrophobicContact CG2-CZ2 4.24Å; V446-L468 HydrophobicContact CG2-CD1 4.18Å; V446-D471 HydrophobicContact CG1-CB 4.11Å
447Y92.7Very high91.9Very high0 Ų030.9 Ų30.90%015%0.145CC..  trans-114.573.3174.3-58.4-90000109.7F445 V449 P454 D471 R472 R583 P584F445-Y447 HydrophobicContact CB-CE2 3.98Å; Y447-V449 VanDerWaalsContact C-N 3.25Å; Y447-V449 PolarHBondContact O-N 2.98Å; Y447-P454 HydrophobicContact CD1-CB 3.82Å; Y447-P454 HydrophobicContact CD1-CG 4.49Å; Y447-P454 HydrophobicContact CE1-CB 3.43Å; Y447-P454 VanDerWaalsContact CE1-CB 3.43Å; Y447-P454 HydrophobicContact CE1-CG 3.74Å; Y447-P454 HydrophobicContact CE2-CB 4.33Å; Y447-P454 HydrophobicContact CG-CB 4.43Å; Y447-D471 VanDerWaalsContact CA-OD1 3.28Å; Y447-D471 WeakPolarHBondContact CA-OD1 3.42Å; Y447-D471 WeakPolarHBondContact CB-OD1 3.4Å; Y447-D471 PolarHBondContact N-OD1 3Å; Y447-R472 VanDerWaalsContact O-CA 3.29Å; Y447-R472 WeakPolarHBondContact O-CA 3.48Å; Y447-R472 PolarHBondContact O-N 3.32Å; Y447-R583 HydrophobicContact CE1-CB 4.26Å; Y447-R583 HydrophobicContact CE1-CG 4.36Å; Y447-R583 WeakPolarHBondContact OH-CA 3.32Å; Y447-P584 VanDerWaalsContact CE2-O 3.25Å; Y447-P584 WeakPolarHBondContact CE2-O 3.42Å; Y447-P584 PolarHBondContact OH-O 3.39Å; Y447-P584 VanDerWaalsContact OH-O 3.06Å
448P90.9Very high92.8Very high0 Ų030.4 Ų30.40%017%0.166CC..SBendtrans-56.2-43.2-174.8-23.432.5000112.6V446 V455 L470 K473 W474 L497 I499 L504V446-P448 VanDerWaalsContact C-CD 3.42Å; V446-P448 HydrophobicContact CG1-CG 4Å; V446-P448 VanDerWaalsContact O-CD 3.26Å; V446-P448 WeakPolarHBondContact O-CD 3.35Å; P448-V455 HydrophobicContact CG-CG2 4.32Å; P448-L470 WeakPolarHBondContact CA-O 3.37Å; P448-K473 PolarHBondContact O-N 2.69Å; P448-K473 VanDerWaalsContact O-N 3.1Å; P448-W474 HydrophobicContact CB-CE3 3.85Å; P448-W474 HydrophobicContact CB-CZ3 3.95Å; P448-W474 PolarHBondContact O-N 2.83Å; P448-L497 HydrophobicContact CB-CD1 4.46Å; P448-L497 HydrophobicContact CG-CD1 4.37Å; P448-I499 HydrophobicContact CB-CD1 3.68Å; P448-I499 HydrophobicContact CG-CB 4.24Å; P448-I499 HydrophobicContact CG-CD1 3.45Å; P448-I499 VanDerWaalsContact CG-CD1 3.45Å; P448-I499 HydrophobicContact CG-CG1 4.45Å; P448-I499 HydrophobicContact CG-CG2 4.09Å; P448-L504 HydrophobicContact CB-CD1 3.81Å; P448-L504 HydrophobicContact CG-CD1 4.18Å
449V90.5Very high93.3Very high0 Ų030.5 Ų30.50%016%0.163CC..EExtended strand (participates in β ladder)trans-102.1124176.1-170.30000109.6Y447 C452 W474 V476 L497 L504 L540Y447-V449 VanDerWaalsContact C-N 3.25Å; Y447-V449 PolarHBondContact O-N 2.98Å; V449-C452 HydrophobicContact CB-CB 4.07Å; V449-C452 HydrophobicContact CG1-CB 4.49Å; V449-C452 PolarHBondContact O-N 3.13Å; V449-W474 CarbonylContact C-O 3.53Å; V449-W474 WeakPolarHBondContact CA-O 3.39Å; V449-W474 HydrophobicContact CB-CB 4.39Å; V449-W474 HydrophobicContact CG1-CB 4.43Å; V449-W474 HydrophobicContact CG2-CB 3.94Å; V449-V476 HydrophobicContact CG1-CG2 4Å; V449-L497 HydrophobicContact CB-CD1 3.91Å; V449-L497 HydrophobicContact CB-CD2 4.41Å; V449-L497 HydrophobicContact CG2-CD1 3.81Å; V449-L497 HydrophobicContact CG2-CD2 3.72Å; V449-L497 HydrophobicContact CG2-CG 4.45Å; V449-L504 HydrophobicContact CG2-CD2 3.67Å; V449-L540 HydrophobicContact CG1-CD1 3.69Å; V449-L540 HydrophobicContact CG2-CD1 4.14Å
450K88.8Confident93.3Very high50 Ų5033.6 Ų33.622%0.21718%0.178CC..EExtended strand (participates in β ladder)trans-55.8140.9174.7-168.1165.7-171.81540110.3C452 W474 M475 L551 N553K450-C452 PolarHBondContact O-N 3.33Å; K450-W474 PolarHBondContact N-O 2.87Å; K450-M475 HydrophobicContact CB-CB 3.99Å; K450-L551 HydrophobicContact CB-CD1 4.47Å; K450-L551 HydrophobicContact CD-CB 4.04Å; K450-L551 HydrophobicContact CD-CD1 4.35Å; K450-L551 PolarHBondContact NZ-O 2.88Å; K450-N553 PolarHBondContact NZ-OD1 2.96Å
451S88.7Confident93.3Very high14 Ų1430.2 Ų30.210%0.09816%0.163CC..THydrogen-bonded Turntrans69.1-15.5-179-58.50000116.7V484S451-V484 WeakPolarHBondContact CB-O 3.27Å
452C90.3Very high93Very high0 Ų031.1 Ų31.10%017%0.168CC..SBendtrans-72.9168.7168.1-65.10000112V449 K450 L497 R583V449-C452 HydrophobicContact CB-CB 4.07Å; V449-C452 HydrophobicContact CG1-CB 4.49Å; V449-C452 PolarHBondContact O-N 3.13Å; K450-C452 PolarHBondContact O-N 3.33Å; C452-L497 HydrophobicContact CB-CD1 3.84Å; C452-L497 HydrophobicContact CB-CG 4.34Å; C452-R583 PolarHBondContact O-NH1 3.23Å; C452-R583 PolarHBondContact O-NH2 3.13Å
453R89Confident92.7Very high50 Ų5029.6 Ų29.619%0.18916%0.161CC..PPolyproline II helixtrans-65.1156.2169.970.3-170.1-151.7160.17.7111.9R496R453-R496 VanDerWaalsContact CZ-CB 3.44Å; R453-R496 VanDerWaalsContact CZ-CD 3.43Å; R453-R496 VanDerWaalsContact NH1-CZ 3.28Å
454P92.3Very high92Very high20 Ų2029 Ų2913%0.1316%0.16CC..PPolyproline II helixtrans-73.7165.2179.228.3-29.1000112.8F445 V446 Y447 A580F445-P454 HydrophobicContact CB-CB 3.74Å; F445-P454 HydrophobicContact CB-CG 4.4Å; F445-P454 HydrophobicContact CD1-CB 3.59Å; F445-P454 HydrophobicContact CD1-CG 3.59Å; F445-P454 HydrophobicContact CE1-CB 4.48Å; F445-P454 HydrophobicContact CE1-CG 4.02Å; F445-P454 HydrophobicContact CG-CB 3.93Å; F445-P454 HydrophobicContact CG-CG 4.09Å; V446-P454 CarbonylContact O-C 3.56Å; V446-P454 WeakPolarHBondContact O-CA 3.48Å; Y447-P454 HydrophobicContact CD1-CB 3.82Å; Y447-P454 HydrophobicContact CD1-CG 4.49Å; Y447-P454 HydrophobicContact CE1-CB 3.43Å; Y447-P454 VanDerWaalsContact CE1-CB 3.43Å; Y447-P454 HydrophobicContact CE1-CG 3.74Å; Y447-P454 HydrophobicContact CE2-CB 4.33Å; Y447-P454 HydrophobicContact CG-CB 4.43Å; P454-A580 HydrophobicContact CG-CB 3.83Å
455V92.8Very high91.2Very high24 Ų2430.6 Ų30.615%0.14517%0.168CC..EExtended strand (participates in β ladder)trans-97119.8154.3-177.80000107.4V446 P448 L497 I499V446-V455 PolarHBondContact N-O 3.5Å; V446-V455 PolarHBondContact O-N 3.05Å; P448-V455 HydrophobicContact CG-CG2 4.32Å; V455-L497 HydrophobicContact CG2-CB 3.74Å; V455-I499 HydrophobicContact CB-CG2 4.11Å; V455-I499 HydrophobicContact CG1-CG2 4.04Å; V455-I499 HydrophobicContact CG2-CG2 3.93Å
456E94.6Very high90.4Very high106 Ų10633.9 Ų33.950%0.49518%0.181SC..EExtended strand (participates in β ladder)trans-76.1127.6170.6-167.4168.2150.900109.4K443 F445K443-E456 WeakPolarHBondContact CD-OE1 3.29Å; K443-E456 WeakPolarHBondContact CE-OE1 3.4Å; K443-E456 IonicContact NZ-OE1 3.12Å; K443-E456 IonicContact NZ-OE2 3.87Å; F445-E456 HydrophobicContact CD1-CB 3.95Å; F445-E456 HydrophobicContact CD1-CG 4.17Å; F445-E456 HydrophobicContact CE1-CB 3.71Å; F445-E456 HydrophobicContact CE1-CG 3.74Å; F445-E456 WeakPolarHBondContact CE1-OE2 3.46Å; F445-E456 HydrophobicContact CZ-CG 4.48Å
457V94.5Very high90.2Very high11 Ų1134 Ų347%0.06718%0.182CC..PPolyproline II helixtrans-83.5131.1-179.31740000109.6I444 V446 H460 W461I444-V457 HydrophobicContact CB-CB 3.97Å; I444-V457 HydrophobicContact CB-CG2 4.09Å; I444-V457 HydrophobicContact CG2-CB 4.28Å; I444-V457 HydrophobicContact CG2-CG2 3.84Å; I444-V457 PolarHBondContact O-N 3.45Å; V446-V457 HydrophobicContact CG2-CG2 3.79Å; V457-H460 VanDerWaalsContact CG1-C 3.45Å; V457-H460 VanDerWaalsContact CG1-O 3.22Å; V457-H460 WeakPolarHBondContact CG1-O 3.25Å; V457-W461 HydrophobicContact CB-CE3 4.35Å; V457-W461 HydrophobicContact CG1-CB 4.12Å; V457-W461 HydrophobicContact CG1-CE3 3.89Å; V457-W461 HydrophobicContact CG2-CB 4.03Å; V457-W461 HydrophobicContact CG2-CD2 3.81Å; V457-W461 HydrophobicContact CG2-CE3 3.59Å; V457-W461 HydrophobicContact CG2-CG 4.01Å; V457-W461 HydrophobicContact CG2-CZ3 4.34Å
458A93.3Very high90.1Very high103 Ų10334.1 Ų34.185%0.85118%0.183SC*.SBendtrans-75.5-35.5-175.400000114.9
459D94.4Very high89.9Confident85 Ų8538.8 Ų38.846%0.45520%0.2SC..SBendtrans-140.2-53.6-174.9-175.161.5000112.4R666 I667D459-R666 CarbonylContact O-C 3.53Å; D459-R666 WeakPolarHBondContact O-CA 3.47Å; D459-R666 IonicContact OD2-NH1 3.78Å; D459-I667 WeakPolarHBondContact O-CG1 3.16Å; D459-I667 PolarHBondContact O-N 2.68Å
460H94.3Very high89.8Confident80 Ų8039.8 Ų39.837%0.3721%0.205SC..EExtended strand (participates in β ladder)trans-153.7155-176.460.3-94.5000112.8V457 L664 L665 R666V457-H460 VanDerWaalsContact CG1-C 3.45Å; V457-H460 VanDerWaalsContact CG1-O 3.22Å; V457-H460 WeakPolarHBondContact CG1-O 3.25Å; H460-L664 HydrophobicContact CB-CD2 3.55Å; H460-L664 HydrophobicContact CB-CG 4.04Å; H460-L664 VanDerWaalsContact CD2-CD2 3.4Å; H460-L664 WeakPolarHBondContact CD2-CD2 3.23Å; H460-L664 VanDerWaalsContact CG-CD2 3.49Å; H460-L665 CarbonylContact C-O 3.53Å; H460-L665 WeakPolarHBondContact CA-O 3.47Å; H460-L665 WeakPolarHBondContact CB-O 3.37Å; H460-R666 HydrophobicContact CB-CB 4.38Å; H460-R666 HydrophobicContact CB-CG 3.87Å
461W94.6Very high89.8Confident26 Ų2637.5 Ų37.510%0.09820%0.196CC..EExtended strand (participates in β ladder)trans-139.1141.9175.7-149.9-103.9000112.2I444 V446 V457 L468 W469 I499 L501 L665I444-W461 HydrophobicContact CG2-CB 4.18Å; V446-W461 HydrophobicContact CG2-CD2 3.92Å; V446-W461 HydrophobicContact CG2-CG 3.96Å; V446-W461 HydrophobicContact CG2-CZ2 4.24Å; V457-W461 HydrophobicContact CB-CE3 4.35Å; V457-W461 HydrophobicContact CG1-CB 4.12Å; V457-W461 HydrophobicContact CG1-CE3 3.89Å; V457-W461 HydrophobicContact CG2-CB 4.03Å; V457-W461 HydrophobicContact CG2-CD2 3.81Å; V457-W461 HydrophobicContact CG2-CE3 3.59Å; V457-W461 HydrophobicContact CG2-CG 4.01Å; V457-W461 HydrophobicContact CG2-CZ3 4.34Å; W461-L468 HydrophobicContact CB-CD2 4.43Å; W461-W469 PolarHBondContact NE1-O 2.91Å; W461-I499 HydrophobicContact CH2-CG2 3.73Å; W461-I499 HydrophobicContact CZ2-CG2 3.98Å; W461-L501 HydrophobicContact CH2-CD2 4.42Å; W461-L501 HydrophobicContact CZ2-CD2 4.3Å; W461-L665 PolarHBondContact N-O 3.05Å; W461-L665 PolarHBondContact O-N 3.26Å
462P92Very high89.8Confident19 Ų1938.5 Ų38.512%0.12320%0.197CC..EExtended strand (participates in β ladder)trans-73.1144.1175.819.8-19.8000112.3W469 L501 G663P462-W469 HydrophobicContact CB-CB 4.11Å; P462-W469 HydrophobicContact CG-CB 3.72Å; P462-W469 HydrophobicContact CG-CG 4.11Å; P462-W469 WeakPolarHBondContact O-CB 3.49Å; P462-W469 PolarHBondContact O-N 3.46Å; P462-L501 HydrophobicContact CG-CD2 3.42Å; P462-L501 VanDerWaalsContact CG-CD2 3.42Å; P462-G663 CarbonylContact C-O 3.52Å; P462-G663 VanDerWaalsContact CA-O 3.24Å; P462-G663 WeakPolarHBondContact CA-O 3.4Å
463I89.4Confident89.5Confident2 Ų239.1 Ų39.11%0.0120%0.2CC..EExtended strand (participates in β ladder)trans-101.1156.9169.754.2164.9000110.6L468 Y557 T607 L654 G663 L665I463-L468 HydrophobicContact CG2-CD2 4Å; I463-Y557 WeakPolarHBondContact CB-OH 3.33Å; I463-Y557 HydrophobicContact CG2-CE1 4.09Å; I463-Y557 WeakPolarHBondContact CG2-OH 3.29Å; I463-T607 HydrophobicContact CD1-CG2 3.78Å; I463-L654 HydrophobicContact CD1-CD1 4.31Å; I463-L654 HydrophobicContact CD1-CD2 4.26Å; I463-G663 VanDerWaalsContact CG1-C 3.46Å; I463-G663 VanDerWaalsContact CG1-O 3.25Å; I463-G663 WeakPolarHBondContact CG1-O 3.42Å; I463-G663 PolarHBondContact N-O 2.85Å; I463-L665 HydrophobicContact CG2-CD1 3.66Å; I463-L665 HydrophobicContact CG2-CG 3.77Å
464S83.1Confident89.5Confident11 Ų1137.1 Ų37.18%0.07719%0.193CC..EExtended strand (participates in β ladder)trans-135.5172.4175.571.60000109.8Y466 G467 L654S464-Y466 PolarHBondContact O-N 3.07Å; S464-Y466 PolarHBondContact OG-N 2.87Å; S464-G467 PolarHBondContact N-O 3.43Å; S464-G467 PolarHBondContact O-N 3.12Å; S464-G467 PolarHBondContact OG-N 3.23Å; S464-G467 PolarHBondContact OG-O 3.49Å; S464-L654 WeakPolarHBondContact O-CD1 2.81Å
465N79.5Confident89.4Confident33 Ų3337.9 Ų37.918%0.17620%0.195CC..THydrogen-bonded Turntrans-62.3-4.1172.6-66.8-15.1000114Q556N465-Q556 PolarHBondContact O-NE2 3.32Å
466Y79.9Confident89.3Confident78 Ų7836.8 Ų36.831%0.30619%0.188SC..THydrogen-bonded Turntrans-119.5-2.5-177-55.8-70.6000114.2S464 D548 H549 N552S464-Y466 PolarHBondContact O-N 3.07Å; S464-Y466 PolarHBondContact OG-N 2.87Å; Y466-D548 WeakPolarHBondContact CB-O 3.16Å; Y466-D548 WeakPolarHBondContact CD1-O 3.35Å; Y466-D548 HydrophobicContact CD2-CB 3.93Å; Y466-D548 WeakPolarHBondContact CD2-O 3.25Å; Y466-D548 HydrophobicContact CE2-CB 3.59Å; Y466-H549 AromaticContact CD1-ND1 3.48Å; Y466-H549 WeakPolarHBondContact CD1-ND1 3.31Å; Y466-H549 AromaticContact CE1-CE1 3.7Å; Y466-H549 AromaticContact CE1-ND1 3.44Å; Y466-H549 WeakPolarHBondContact CE1-ND1 3.33Å; Y466-N552 PolarHBondContact O-ND2 3.45Å
467G88.2Confident89.1Confident1 Ų132.2 Ų32.21%0.0117%0.167CC..EExtended strand (participates in β ladder)trans133.2-164.1-173.200000112.2S464 Y557S464-G467 PolarHBondContact N-O 3.43Å; S464-G467 PolarHBondContact O-N 3.12Å; S464-G467 PolarHBondContact OG-N 3.23Å; S464-G467 PolarHBondContact OG-O 3.49Å; G467-Y557 VanDerWaalsContact CA-CZ 3.49Å; G467-Y557 WeakPolarHBondContact CA-OH 3.45Å; G467-Y557 PolarHBondContact O-OH 2.82Å
468L91Very high88.9Confident3 Ų334 Ų342%0.01618%0.177CC..EExtended strand (participates in β ladder)trans-60139.7168.8-68.4173.5000109.8I444 F445 V446 W461 I463 L470 D471 Y557 N585 L665I444-L468 HydrophobicContact CG2-CD1 3.65Å; I444-L468 HydrophobicContact CG2-CD2 4.07Å; F445-L468 VanDerWaalsContact O-CD1 3.31Å; F445-L468 WeakPolarHBondContact O-CD1 3.49Å; V446-L468 HydrophobicContact CG2-CD1 4.18Å; W461-L468 HydrophobicContact CB-CD2 4.43Å; I463-L468 HydrophobicContact CG2-CD2 4Å; L468-L470 PolarHBondContact O-N 2.79Å; L468-D471 HydrophobicContact CB-CB 3.96Å; L468-D471 VanDerWaalsContact O-CB 3.28Å; L468-D471 WeakPolarHBondContact O-CB 3.46Å; L468-D471 PolarHBondContact O-N 3.32Å; L468-Y557 HydrophobicContact CB-CE1 4.49Å; L468-Y557 HydrophobicContact CD2-CD1 4.47Å; L468-Y557 HydrophobicContact CD2-CE1 3.96Å; L468-Y557 HydrophobicContact CG-CD1 4.02Å; L468-Y557 HydrophobicContact CG-CE1 3.76Å; L468-N585 HydrophobicContact CD1-CB 3.91Å; L468-L665 HydrophobicContact CD2-CD1 4.4Å
469W87.7Confident88.7Confident99 Ų9932.8 Ų32.838%0.37516%0.162SC..THydrogen-bonded Turntrans-55.8133.6178.1-173.8-111.8000110.6W461 P462 D471 L501W461-W469 PolarHBondContact NE1-O 2.91Å; P462-W469 HydrophobicContact CB-CB 4.11Å; P462-W469 HydrophobicContact CG-CB 3.72Å; P462-W469 HydrophobicContact CG-CG 4.11Å; P462-W469 WeakPolarHBondContact O-CB 3.49Å; P462-W469 PolarHBondContact O-N 3.46Å; W469-D471 PolarHBondContact O-N 3.48Å; W469-L501 PolarHBondContact NE1-O 3.07Å; W469-L501 VanDerWaalsContact NE1-O 3.15Å
470L87.1Confident88.3Confident20 Ų2038.4 Ų38.411%0.10518%0.178CC..THydrogen-bonded Turntrans62.29.6-176.4-57176.3000116.5P448 L468 K473 W474 I499 D500P448-L470 WeakPolarHBondContact CA-O 3.37Å; L468-L470 PolarHBondContact O-N 2.79Å; L470-K473 HydrophobicContact CD2-CG 4.43Å; L470-W474 HydrophobicContact CB-CZ3 4.15Å; L470-W474 HydrophobicContact CD1-CH2 4.48Å; L470-W474 HydrophobicContact CD2-CH2 3.95Å; L470-W474 HydrophobicContact CD2-CZ3 4.32Å; L470-I499 HydrophobicContact CB-CD1 3.64Å; L470-I499 HydrophobicContact CD1-CD1 3.68Å; L470-I499 HydrophobicContact CD1-CG1 4.05Å; L470-I499 HydrophobicContact CG-CD1 4.29Å; L470-D500 WeakPolarHBondContact CD1-O 3.45Å
471D89.1Confident87.9Confident3 Ų337 Ų372%0.01619%0.185CC..THydrogen-bonded Turntrans-71.4131.4174.2-16637000111.5V446 Y447 L468 W469 K473 N585V446-D471 HydrophobicContact CG1-CB 4.11Å; Y447-D471 VanDerWaalsContact CA-OD1 3.28Å; Y447-D471 WeakPolarHBondContact CA-OD1 3.42Å; Y447-D471 WeakPolarHBondContact CB-OD1 3.4Å; Y447-D471 PolarHBondContact N-OD1 3Å; L468-D471 HydrophobicContact CB-CB 3.96Å; L468-D471 VanDerWaalsContact O-CB 3.28Å; L468-D471 WeakPolarHBondContact O-CB 3.46Å; L468-D471 PolarHBondContact O-N 3.32Å; W469-D471 PolarHBondContact O-N 3.48Å; D471-K473 VanDerWaalsContact C-N 3.26Å; D471-K473 PolarHBondContact O-N 3.41Å; D471-N585 PolarHBondContact OD2-ND2 3.46Å
472R88Confident87.5Confident34 Ų3439.8 Ų39.813%0.12821%0.205CC..THydrogen-bonded Turntrans49.640.2179.3-45.2-163.5-168.8131.9-5.2114.5Y447 L551 N552Y447-R472 VanDerWaalsContact O-CA 3.29Å; Y447-R472 WeakPolarHBondContact O-CA 3.48Å; Y447-R472 PolarHBondContact O-N 3.32Å; R472-L551 HydrophobicContact CB-CB 4.08Å; R472-L551 WeakPolarHBondContact O-CB 3.29Å; R472-L551 WeakPolarHBondContact O-CG 3.35Å; R472-L551 PolarHBondContact O-N 3.35Å; R472-N552 WeakPolarHBondContact CD-OD1 3.3Å; R472-N552 WeakPolarHBondContact CG-OD1 3.29Å; R472-N552 PolarHBondContact NE-OD1 3.15Å; R472-N552 PolarHBondContact NH1-OD1 2.99Å
473K86Confident87.3Confident13 Ų1340.3 Ų40.36%0.05721%0.211CC..  trans-87.1-21.1176.4-65.3-58-173.1175.80113.7P448 L470 D471 H542 S543 D548P448-K473 PolarHBondContact O-N 2.69Å; P448-K473 VanDerWaalsContact O-N 3.1Å; L470-K473 HydrophobicContact CD2-CG 4.43Å; D471-K473 VanDerWaalsContact C-N 3.26Å; D471-K473 PolarHBondContact O-N 3.41Å; K473-H542 WeakPolarHBondContact O-CA 3.36Å; K473-H542 PolarHBondContact O-CD2 3.02Å; K473-H542 VanDerWaalsContact O-CD2 3.3Å; K473-S543 PolarHBondContact O-N 3.28Å; K473-D548 PolarHBondContact NZ-O 3.48Å; K473-D548 IonicContact NZ-OD1 4Å; K473-D548 PolarHBondContact NZ-OD1 2.68Å; K473-D548 IonicContact NZ-OD2 2.72Å; K473-D548 PolarHBondContact NZ-OD2 2.68Å
474W88.7Confident87.3Confident9 Ų941 Ų413%0.03422%0.215CC..EExtended strand (participates in β ladder)trans-117.4158.8177.2-63.8-90.7000112P448 V449 K450 L470 I499 L504 L540 V541 H542P448-W474 HydrophobicContact CB-CE3 3.85Å; P448-W474 HydrophobicContact CB-CZ3 3.95Å; P448-W474 PolarHBondContact O-N 2.83Å; V449-W474 CarbonylContact C-O 3.53Å; V449-W474 WeakPolarHBondContact CA-O 3.39Å; V449-W474 HydrophobicContact CB-CB 4.39Å; V449-W474 HydrophobicContact CG1-CB 4.43Å; V449-W474 HydrophobicContact CG2-CB 3.94Å; K450-W474 PolarHBondContact N-O 2.87Å; L470-W474 HydrophobicContact CB-CZ3 4.15Å; L470-W474 HydrophobicContact CD1-CH2 4.48Å; L470-W474 HydrophobicContact CD2-CH2 3.95Å; L470-W474 HydrophobicContact CD2-CZ3 4.32Å; W474-I499 HydrophobicContact CZ3-CD1 4.1Å; W474-L504 HydrophobicContact CD2-CD2 3.74Å; W474-L504 HydrophobicContact CE3-CD2 3.9Å; W474-L504 HydrophobicContact CG-CD2 4.04Å; W474-L504 HydrophobicContact CH2-CB 4.32Å; W474-L504 HydrophobicContact CZ2-CB 4.36Å; W474-L504 HydrophobicContact CZ3-CD2 4.4Å; W474-L540 HydrophobicContact CB-CD1 4.2Å; W474-L540 HydrophobicContact CB-CD2 4.4Å; W474-L540 HydrophobicContact CB-CG 4.28Å; W474-L540 HydrophobicContact CG-CD2 4.33Å; W474-V541 CarbonylContact C-O 3.6Å; W474-V541 VanDerWaalsContact CA-O 3.27Å; W474-V541 WeakPolarHBondContact CA-O 3.17Å; W474-H542 AromaticContact CD1-CD2 3.91Å; W474-H542 AromaticContact CD2-CD2 3.98Å; W474-H542 AromaticContact CE2-CD2 3.51Å; W474-H542 AromaticContact CZ2-CD2 3.88Å; W474-H542 AromaticContact NE1-CD2 3.47Å; W474-H542 PolarHBondContact NE1-CD2 2.84Å; W474-H542 AromaticContact NE1-CG 4Å
475M90.4Very high87.6Confident36 Ų3645 Ų4518%0.17723%0.231CC..EExtended strand (participates in β ladder)trans-149.2148.416858.2-172-75.600110.6K450 V477 A483 V541 L551K450-M475 HydrophobicContact CB-CB 3.99Å; M475-V477 HydrophobicContact CE-CG1 3.66Å; M475-V477 HydrophobicContact CG-CG1 4.22Å; M475-A483 HydrophobicContact CE-CB 3.23Å; M475-V541 HydrophobicContact CG-CG2 3.44Å; M475-V541 VanDerWaalsContact CG-CG2 3.44Å; M475-V541 PolarHBondContact N-O 3.29Å; M475-V541 WeakPolarHBondContact O-CG2 3.03Å; M475-V541 PolarHBondContact O-N 2.97Å; M475-V541 HydrophobicContact SD-CG2 4.36Å; M475-L551 HydrophobicContact CB-CD1 3.87Å; M475-L551 HydrophobicContact CG-CD1 3.88Å; M475-L551 HydrophobicContact SD-CD1 3.62Å; M475-L551 HydrophobicContact SD-CD2 4.05Å
476V90.5Very high87.9Confident1 Ų143.7 Ų43.71%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-83.4130.7169.9-177.90000108.2V449 A483 V484 I492 L529 L533 T538 R539 L540V449-V476 HydrophobicContact CG1-CG2 4Å; V476-A483 WeakPolarHBondContact O-CA 3.2Å; V476-V484 HydrophobicContact CB-CB 4.24Å; V476-V484 HydrophobicContact CB-CG2 4.42Å; V476-V484 HydrophobicContact CG1-CB 4.07Å; V476-V484 HydrophobicContact CG1-CG2 3.8Å; V476-V484 PolarHBondContact O-N 3.33Å; V476-I492 HydrophobicContact CB-CD1 4.14Å; V476-I492 HydrophobicContact CG2-CD1 4.13Å; V476-L529 HydrophobicContact CG1-CD1 4.42Å; V476-L529 HydrophobicContact CG2-CD1 4.48Å; V476-L529 HydrophobicContact CG2-CD2 4.31Å; V476-L533 HydrophobicContact CG1-CD1 3.71Å; V476-T538 HydrophobicContact CG1-CG2 3.16Å; V476-R539 CarbonylContact C-O 3.51Å; V476-R539 WeakPolarHBondContact CA-O 3.42Å; V476-L540 HydrophobicContact CG2-CD1 3.7Å
477V90.3Very high87.9Confident9 Ų942.6 Ų42.66%0.05522%0.222CC..EExtended strand (participates in β ladder)trans-121.7146.5175.2-65.60000111.2M475 G481 V482 T538 R539 V541M475-V477 HydrophobicContact CE-CG1 3.66Å; M475-V477 HydrophobicContact CG-CG1 4.22Å; V477-G481 WeakPolarHBondContact CG1-O 3.14Å; V477-V482 CarbonylContact C-O 3.59Å; V477-V482 WeakPolarHBondContact CA-O 3.27Å; V477-T538 CarbonylContact O-C 3.58Å; V477-T538 VanDerWaalsContact O-CA 3.26Å; V477-T538 WeakPolarHBondContact O-CA 3.44Å; V477-T538 WeakPolarHBondContact O-CG2 3.47Å; V477-R539 HydrophobicContact CG2-CB 3.91Å; V477-R539 PolarHBondContact N-O 3.18Å; V477-R539 PolarHBondContact O-N 3.01Å; V477-V541 HydrophobicContact CG1-CG2 3.7Å; V477-V541 HydrophobicContact CG2-CG1 3.68Å; V477-V541 HydrophobicContact CG2-CG2 4.08Å
478D89.1Confident87.5Confident49 Ų4948.7 Ų48.726%0.26225%0.254SS..  trans-73.2-176.2171.669.112.1000112.3Y480 G481 V482 G537D478-Y480 PolarHBondContact O-N 3.09Å; D478-Y480 WeakPolarHBondContact OD1-CA 3.4Å; D478-Y480 WeakPolarHBondContact OD1-CB 3.27Å; D478-Y480 PolarHBondContact OD1-N 3.31Å; D478-G481 PolarHBondContact O-N 2.9Å; D478-G481 PolarHBondContact OD1-N 2.99Å; D478-G481 VanDerWaalsContact OD1-N 3.15Å; D478-V482 PolarHBondContact N-O 3.35Å; D478-V482 PolarHBondContact OD1-N 3.2Å; D478-G537 CarbonylContact C-O 3.44Å
479S88.7Confident87.3Confident77 Ų7750.3 Ų50.354%0.53826%0.263SS..THydrogen-bonded Turntrans-63.1-10.8178.644.40000114.8K536 G537S479-K536 PolarHBondContact OG-O 3.42Å; S479-G537 VanDerWaalsContact CA-O 3.26Å; S479-G537 WeakPolarHBondContact CA-O 3.22Å; S479-G537 PolarHBondContact N-O 3.34Å
480Y86.4Confident87.2Confident203 Ų20347.6 Ų47.680%0.79626%0.261SS*.THydrogen-bonded Turntrans-101.10.8174.3-59.1-79.5000112.8D478 V482D478-Y480 PolarHBondContact O-N 3.09Å; D478-Y480 WeakPolarHBondContact OD1-CA 3.4Å; D478-Y480 WeakPolarHBondContact OD1-CB 3.27Å; D478-Y480 PolarHBondContact OD1-N 3.31Å; Y480-V482 VanDerWaalsContact C-N 3.33Å
481G86.1Confident87.3Confident50 Ų5047.4 Ų47.452%0.51526%0.263SS..SBendtrans79.813.2-175.900000113.8V477 D478V477-G481 WeakPolarHBondContact CG1-O 3.14Å; D478-G481 PolarHBondContact O-N 2.9Å; D478-G481 PolarHBondContact OD1-N 2.99Å; D478-G481 VanDerWaalsContact OD1-N 3.15Å
482V85.8Confident87.3Confident85 Ų8547.3 Ų47.352%0.51526%0.262SS..  trans-88.6134.6179.8-178.10000110.3V477 D478 Y480 V484V477-V482 CarbonylContact C-O 3.59Å; V477-V482 WeakPolarHBondContact CA-O 3.27Å; D478-V482 PolarHBondContact N-O 3.35Å; D478-V482 PolarHBondContact OD1-N 3.2Å; Y480-V482 VanDerWaalsContact C-N 3.33Å; V482-V484 PolarHBondContact O-N 3.4Å
483A88.7Confident87.3Confident31 Ų3145.8 Ų45.826%0.25626%0.257SS..BIsolated β-bridgetrans-53.9125.8178.500000112.5M475 V476 K485M475-A483 HydrophobicContact CE-CB 3.23Å; V476-A483 WeakPolarHBondContact O-CA 3.2Å; A483-K485 PolarHBondContact O-N 3.28Å
484V89.7Confident87.4Confident16 Ų1649.9 Ų49.910%0.09728%0.275CS..  trans-75.9114.4168.2-177.40000108.5S451 V476 V482 N489 I492 T538S451-V484 WeakPolarHBondContact CB-O 3.27Å; V476-V484 HydrophobicContact CB-CB 4.24Å; V476-V484 HydrophobicContact CB-CG2 4.42Å; V476-V484 HydrophobicContact CG1-CB 4.07Å; V476-V484 HydrophobicContact CG1-CG2 3.8Å; V476-V484 PolarHBondContact O-N 3.33Å; V482-V484 PolarHBondContact O-N 3.4Å; V484-N489 HydrophobicContact CG1-CB 3.9Å; V484-I492 HydrophobicContact CB-CD1 4.19Å; V484-I492 HydrophobicContact CG1-CD1 4Å; V484-T538 HydrophobicContact CG2-CG2 4.47Å
485K88.1Confident87.5Confident96 Ų9649.5 Ų49.542%0.41727%0.273SS..  trans-99.8144-177.8-55.2-175.1-174.1176.50111.4A483 E487 N488 N489A483-K485 PolarHBondContact O-N 3.28Å; K485-E487 VanDerWaalsContact C-N 3.32Å; K485-E487 HydrophobicContact CB-CG 4.19Å; K485-E487 WeakPolarHBondContact CD-OE1 3.24Å; K485-E487 PolarHBondContact O-N 2.83Å; K485-N488 HydrophobicContact CB-CB 4.5Å; K485-N488 PolarHBondContact O-N 3.05Å; K485-N488 VanDerWaalsContact O-N 3.12Å; K485-N489 PolarHBondContact O-N 2.92Å
486L87Confident87.4Confident5 Ų551.3 Ų51.33%0.02628%0.278CS..THydrogen-bonded Turntrans-62.7-38.7-177.4176.561.4000112.1N488 N489 I492 V620 V623L486-N488 PolarHBondContact O-N 3.28Å; L486-N489 CarbonylContact O-C 3.57Å; L486-I492 HydrophobicContact CB-CG2 3.93Å; L486-I492 HydrophobicContact CD1-CG2 3.55Å; L486-I492 HydrophobicContact CG-CG2 4.35Å; L486-V620 HydrophobicContact CB-CG2 4.1Å; L486-V620 HydrophobicContact CD2-CG2 4Å; L486-V620 HydrophobicContact CG-CG2 4.35Å; L486-V623 HydrophobicContact CD1-CG1 4Å; L486-V623 HydrophobicContact CD2-CB 4.25Å; L486-V623 HydrophobicContact CD2-CG1 4.19Å; L486-V623 HydrophobicContact CG-CB 4.18Å; L486-V623 HydrophobicContact CG-CG1 3.85Å
487E78.6Confident87.4Confident54 Ų5451.7 Ų51.725%0.25228%0.28SS..THydrogen-bonded Turntrans-63.8-25.517759.6-92.1-149.100113.7K485K485-E487 VanDerWaalsContact C-N 3.32Å; K485-E487 HydrophobicContact CB-CG 4.19Å; K485-E487 WeakPolarHBondContact CD-OE1 3.24Å; K485-E487 PolarHBondContact O-N 2.83Å
488N80Confident87.3Confident130 Ų13052.8 Ų52.870%0.69529%0.288SS*.THydrogen-bonded Turntrans-101.5-27.5-177.5-66.3-6.5000112.7K485 L486K485-N488 HydrophobicContact CB-CB 4.5Å; K485-N488 PolarHBondContact O-N 3.05Å; K485-N488 VanDerWaalsContact O-N 3.12Å; L486-N488 PolarHBondContact O-N 3.28Å
489N86.5Confident87.2Confident36 Ų3651.2 Ų51.219%0.19328%0.28CS..  trans-137.392.8176.5-170.2-21.5000110.2V484 K485 L486 A491 I492 L533V484-N489 HydrophobicContact CG1-CB 3.9Å; K485-N489 PolarHBondContact O-N 2.92Å; L486-N489 CarbonylContact O-C 3.57Å; N489-A491 PolarHBondContact O-N 3.12Å; N489-A491 WeakPolarHBondContact OD1-CB 3.28Å; N489-A491 PolarHBondContact OD1-N 2.83Å; N489-I492 VanDerWaalsContact O-CG2 3.26Å; N489-I492 WeakPolarHBondContact O-CG2 3.43Å; N489-I492 PolarHBondContact O-N 3.43Å; N489-L533 PolarHBondContact ND2-O 2.94Å; N489-L533 VanDerWaalsContact ND2-O 3.1Å
490A86.2Confident86.9Confident42 Ų4250.4 Ų50.435%0.34727%0.27SS..G310 helixtrans-58.4-21.3179.300000113.6I492 S493 G628A490-I492 PolarHBondContact O-N 3.43Å; A490-S493 WeakPolarHBondContact O-CB 3.39Å; A490-S493 PolarHBondContact O-N 2.96Å; A490-S493 PolarHBondContact O-OG 2.85Å; A490-G628 WeakPolarHBondContact CB-O 3.46Å
491A89.4Confident86.6Confident17 Ų1745.4 Ų45.414%0.1426%0.256CS..G310 helixtrans-67.4-19-179.800000113N489 S493 K494 L533N489-A491 PolarHBondContact O-N 3.12Å; N489-A491 WeakPolarHBondContact OD1-CB 3.28Å; N489-A491 PolarHBondContact OD1-N 2.83Å; A491-S493 PolarHBondContact O-N 3.37Å; A491-K494 VanDerWaalsContact O-CB 3.3Å; A491-K494 WeakPolarHBondContact O-CB 3.46Å; A491-K494 PolarHBondContact O-N 3.47Å; A491-L533 HydrophobicContact CB-CD2 4.43Å
492I90Very high86.1Confident0 Ų047.2 Ų47.20%026%0.26CS..G310 helixtrans-65.2-19.8174.6-158.1169.2000112.8V476 V484 L486 N489 A490 K494 V495 L533V476-I492 HydrophobicContact CB-CD1 4.14Å; V476-I492 HydrophobicContact CG2-CD1 4.13Å; V484-I492 HydrophobicContact CB-CD1 4.19Å; V484-I492 HydrophobicContact CG1-CD1 4Å; L486-I492 HydrophobicContact CB-CG2 3.93Å; L486-I492 HydrophobicContact CD1-CG2 3.55Å; L486-I492 HydrophobicContact CG-CG2 4.35Å; N489-I492 VanDerWaalsContact O-CG2 3.26Å; N489-I492 WeakPolarHBondContact O-CG2 3.43Å; N489-I492 PolarHBondContact O-N 3.43Å; A490-I492 PolarHBondContact O-N 3.43Å; I492-K494 PolarHBondContact O-N 3.26Å; I492-V495 HydrophobicContact CG1-CG2 4.43Å; I492-V495 WeakPolarHBondContact O-CB 3.34Å; I492-V495 PolarHBondContact O-N 2.78Å; I492-V495 VanDerWaalsContact O-N 3.09Å; I492-L533 HydrophobicContact CB-CD2 3.66Å; I492-L533 HydrophobicContact CG1-CD2 3.96Å
493S87.6Confident85.8Confident2 Ų247.9 Ų47.91%0.01426%0.256CS..G310 helixtrans-59.3-26.9171.3630000112.9A490 A491 V495 P625 N627 G628A490-S493 WeakPolarHBondContact O-CB 3.39Å; A490-S493 PolarHBondContact O-N 2.96Å; A490-S493 PolarHBondContact O-OG 2.85Å; A491-S493 PolarHBondContact O-N 3.37Å; S493-V495 VanDerWaalsContact C-N 3.27Å; S493-V495 PolarHBondContact O-N 3.17Å; S493-P625 WeakPolarHBondContact CB-O 3.23Å; S493-N627 VanDerWaalsContact OG-C 3.31Å; S493-G628 PolarHBondContact OG-N 3.37Å
494K88.8Confident85.7Confident100 Ų10046.4 Ų46.444%0.43524%0.244SC..G310 helixtrans-74.9-16.2178.7-58.1-177.1178.3-174.70113.2A491 I492 R496 D508 V532A491-K494 VanDerWaalsContact O-CB 3.3Å; A491-K494 WeakPolarHBondContact O-CB 3.46Å; A491-K494 PolarHBondContact O-N 3.47Å; I492-K494 PolarHBondContact O-N 3.26Å; K494-R496 PolarHBondContact O-N 2.91Å; K494-D508 WeakPolarHBondContact O-CA 3.41Å; K494-V532 HydrophobicContact CB-CG1 3.94Å
495V89.5Confident85.6Confident0 Ų047.9 Ų47.90%025%0.248CC..  trans-77.2104176.9177.80000108.7I492 S493 L497 L506 W528 L529 V532 L533I492-V495 HydrophobicContact CG1-CG2 4.43Å; I492-V495 WeakPolarHBondContact O-CB 3.34Å; I492-V495 PolarHBondContact O-N 2.78Å; I492-V495 VanDerWaalsContact O-N 3.09Å; S493-V495 VanDerWaalsContact C-N 3.27Å; S493-V495 PolarHBondContact O-N 3.17Å; V495-L497 HydrophobicContact CG1-CD2 4.17Å; V495-L506 HydrophobicContact CG1-CD2 3.88Å; V495-W528 HydrophobicContact CB-CH2 4.48Å; V495-W528 HydrophobicContact CG1-CH2 4.02Å; V495-W528 HydrophobicContact CG1-CZ3 4.36Å; V495-W528 HydrophobicContact CG2-CH2 4.21Å; V495-L529 HydrophobicContact CG2-CD2 4.08Å; V495-V532 HydrophobicContact CG2-CG1 3.97Å; V495-L533 HydrophobicContact CG2-CD2 4.27Å
496R88.9Confident85.6Confident74 Ų7443.3 Ų43.328%0.27923%0.228SC..EExtended strand (participates in β ladder)trans-89.9142.9178.6-53-163.6156.5-152.4-1110.7R453 K494 L506 F507 D509R453-R496 VanDerWaalsContact CZ-CB 3.44Å; R453-R496 VanDerWaalsContact CZ-CD 3.43Å; R453-R496 VanDerWaalsContact NH1-CZ 3.28Å; K494-R496 PolarHBondContact O-N 2.91Å; R496-L506 CarbonylContact O-C 3.58Å; R496-L506 VanDerWaalsContact O-CA 3.32Å; R496-L506 WeakPolarHBondContact O-CA 3.2Å; R496-F507 WeakPolarHBondContact CA-O 3.49Å; R496-F507 HydrophobicContact CB-CD1 4.19Å; R496-F507 HydrophobicContact CB-CD2 3.46Å; R496-F507 VanDerWaalsContact CB-CD2 3.46Å; R496-F507 HydrophobicContact CB-CE1 4.1Å; R496-F507 HydrophobicContact CB-CE2 3.37Å; R496-F507 HydrophobicContact CB-CG 3.88Å; R496-F507 HydrophobicContact CB-CZ 3.7Å; R496-F507 WeakPolarHBondContact CB-O 3.26Å; R496-F507 HydrophobicContact CG-CD2 4.11Å; R496-F507 HydrophobicContact CG-CE2 4.1Å; R496-F507 PolarHBondContact N-O 2.89Å; R496-F507 PolarHBondContact O-N 3.09Å; R496-D509 IonicContact CZ-OD1 3.98Å; R496-D509 IonicContact NE-OD1 2.86Å; R496-D509 PolarHBondContact NE-OD1 2.84Å; R496-D509 IonicContact NE-OD2 3.25Å; R496-D509 IonicContact NH1-OD1 3.85Å; R496-D509 PolarHBondContact NH1-OD1 3.46Å; R496-D509 IonicContact NH2-OD1 2.75Å; R496-D509 PolarHBondContact NH2-OD1 2.78Å; R496-D509 IonicContact NH2-OD2 2.73Å
497L90.6Very high85.7Confident9 Ų945.1 Ų45.15%0.04724%0.236CC..EExtended strand (participates in β ladder)trans-119.8147.4-177.2-53.1179.6000111P448 V449 C452 V455 V495 L504 W505 L506P448-L497 HydrophobicContact CB-CD1 4.46Å; P448-L497 HydrophobicContact CG-CD1 4.37Å; V449-L497 HydrophobicContact CB-CD1 3.91Å; V449-L497 HydrophobicContact CB-CD2 4.41Å; V449-L497 HydrophobicContact CG2-CD1 3.81Å; V449-L497 HydrophobicContact CG2-CD2 3.72Å; V449-L497 HydrophobicContact CG2-CG 4.45Å; C452-L497 HydrophobicContact CB-CD1 3.84Å; C452-L497 HydrophobicContact CB-CG 4.34Å; V455-L497 HydrophobicContact CG2-CB 3.74Å; V495-L497 HydrophobicContact CG1-CD2 4.17Å; L497-L504 HydrophobicContact CB-CD1 4.4Å; L497-L504 HydrophobicContact CD2-CD1 4.31Å; L497-W505 WeakPolarHBondContact CA-O 3.39Å; L497-L506 HydrophobicContact CD2-CD2 4.28Å; L497-L506 HydrophobicContact CD2-CG 3.88Å
498S88.6Confident85.9Confident33 Ų3343.5 Ų43.523%0.23123%0.229CC..EExtended strand (participates in β ladder)trans-138.4143.51621740000106.4W505S498-W505 PolarHBondContact N-O 3Å; S498-W505 PolarHBondContact O-N 2.93Å
499I86.8Confident85.8Confident16 Ų1642.5 Ų42.58%0.08222%0.224CC..EExtended strand (participates in β ladder)trans-141.7140.4-174.1-170.2165.5000110.6P448 V455 W461 L470 W474 K503 L504P448-I499 HydrophobicContact CB-CD1 3.68Å; P448-I499 HydrophobicContact CG-CB 4.24Å; P448-I499 HydrophobicContact CG-CD1 3.45Å; P448-I499 VanDerWaalsContact CG-CD1 3.45Å; P448-I499 HydrophobicContact CG-CG1 4.45Å; P448-I499 HydrophobicContact CG-CG2 4.09Å; V455-I499 HydrophobicContact CB-CG2 4.11Å; V455-I499 HydrophobicContact CG1-CG2 4.04Å; V455-I499 HydrophobicContact CG2-CG2 3.93Å; W461-I499 HydrophobicContact CH2-CG2 3.73Å; W461-I499 HydrophobicContact CZ2-CG2 3.98Å; L470-I499 HydrophobicContact CB-CD1 3.64Å; L470-I499 HydrophobicContact CD1-CD1 3.68Å; L470-I499 HydrophobicContact CD1-CG1 4.05Å; L470-I499 HydrophobicContact CG-CD1 4.29Å; W474-I499 HydrophobicContact CZ3-CD1 4.1Å; I499-K503 CarbonylContact C-O 3.54Å; I499-K503 WeakPolarHBondContact CA-O 3.34Å; I499-K503 WeakPolarHBondContact CG1-O 3.35Å; I499-L504 HydrophobicContact CB-CD1 4.26Å; I499-L504 HydrophobicContact CD1-CD1 4.32Å; I499-L504 HydrophobicContact CG1-CD1 4.47Å
500D82Confident85.1Confident60 Ų6049.6 Ų49.632%0.32126%0.256SS..  trans-113173.9159.487.424.9000109.2L470 S502 K503 W505L470-D500 WeakPolarHBondContact CD1-O 3.45Å; D500-S502 PolarHBondContact O-N 2.83Å; D500-S502 VanDerWaalsContact OD1-CA 3.27Å; D500-S502 WeakPolarHBondContact OD1-CA 3.36Å; D500-S502 WeakPolarHBondContact OD1-CB 3.47Å; D500-S502 PolarHBondContact OD1-N 2.89Å; D500-S502 PolarHBondContact OD1-OG 2.97Å; D500-K503 PolarHBondContact N-O 3.39Å; D500-K503 PolarHBondContact O-N 2.91Å; D500-K503 PolarHBondContact OD1-N 3.05Å; D500-W505 HydrophobicContact CB-CH2 4.05Å; D500-W505 HydrophobicContact CB-CZ3 3.95Å; D500-W505 WeakPolarHBondContact OD2-CH2 3.44Å
501L79.1Confident84.3Confident98 Ų9851.5 Ų51.551%0.51326%0.256SS..SBendtrans-59.5-6.9-176.4-60.4179.6000115.4W461 P462 W469W461-L501 HydrophobicContact CH2-CD2 4.42Å; W461-L501 HydrophobicContact CZ2-CD2 4.3Å; P462-L501 HydrophobicContact CG-CD2 3.42Å; P462-L501 VanDerWaalsContact CG-CD2 3.42Å; W469-L501 PolarHBondContact NE1-O 3.07Å; W469-L501 VanDerWaalsContact NE1-O 3.15Å
502S76.5Confident82.9Confident87 Ų8754.2 Ų54.261%0.60828%0.279SS*.SBendtrans-131.3-22.6-177.570.50000115.1D500D500-S502 PolarHBondContact O-N 2.83Å; D500-S502 VanDerWaalsContact OD1-CA 3.27Å; D500-S502 WeakPolarHBondContact OD1-CA 3.36Å; D500-S502 WeakPolarHBondContact OD1-CB 3.47Å; D500-S502 PolarHBondContact OD1-N 2.89Å; D500-S502 PolarHBondContact OD1-OG 2.97Å
503K79.9Confident81.8Confident99 Ų9960.2 Ų60.243%0.4331%0.305SS..  trans-133.8139.5-170.7-71.9-179.7-178-179.30113.4I499 D500 W505 T515I499-K503 CarbonylContact C-O 3.54Å; I499-K503 WeakPolarHBondContact CA-O 3.34Å; I499-K503 WeakPolarHBondContact CG1-O 3.35Å; D500-K503 PolarHBondContact N-O 3.39Å; D500-K503 PolarHBondContact O-N 2.91Å; D500-K503 PolarHBondContact OD1-N 3.05Å; K503-W505 HydrophobicContact CB-CH2 3.71Å; K503-W505 HydrophobicContact CB-CZ2 3.77Å; K503-W505 HydrophobicContact CB-CZ3 4.17Å; K503-W505 HydrophobicContact CD-CH2 4.44Å; K503-W505 HydrophobicContact CD-CZ2 3.96Å; K503-T515 HydrophobicContact CD-CG2 4.31Å
504L86.1Confident81.2Confident1 Ų165 Ų651%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-108.4133.4171.317968.4000109.9P448 V449 W474 L497 I499 L506 C516 L540P448-L504 HydrophobicContact CB-CD1 3.81Å; P448-L504 HydrophobicContact CG-CD1 4.18Å; V449-L504 HydrophobicContact CG2-CD2 3.67Å; W474-L504 HydrophobicContact CD2-CD2 3.74Å; W474-L504 HydrophobicContact CE3-CD2 3.9Å; W474-L504 HydrophobicContact CG-CD2 4.04Å; W474-L504 HydrophobicContact CH2-CB 4.32Å; W474-L504 HydrophobicContact CZ2-CB 4.36Å; W474-L504 HydrophobicContact CZ3-CD2 4.4Å; L497-L504 HydrophobicContact CB-CD1 4.4Å; L497-L504 HydrophobicContact CD2-CD1 4.31Å; I499-L504 HydrophobicContact CB-CD1 4.26Å; I499-L504 HydrophobicContact CD1-CD1 4.32Å; I499-L504 HydrophobicContact CG1-CD1 4.47Å; L504-L506 HydrophobicContact CD2-CD1 4.01Å; L504-L506 HydrophobicContact CG-CD1 4.03Å; L504-C516 HydrophobicContact CB-CB 4.35Å; L504-C516 PolarHBondContact O-N 3.18Å; L504-L540 HydrophobicContact CD2-CD2 4.11Å
505W86.9Confident80.2Confident47 Ų4763.9 Ų63.918%0.17832%0.324CS..EExtended strand (participates in β ladder)trans-114.5135.7171.3-63-82.9000111L497 S498 D500 K503 K513 R514 T515L497-W505 WeakPolarHBondContact CA-O 3.39Å; S498-W505 PolarHBondContact N-O 3Å; S498-W505 PolarHBondContact O-N 2.93Å; D500-W505 HydrophobicContact CB-CH2 4.05Å; D500-W505 HydrophobicContact CB-CZ3 3.95Å; D500-W505 WeakPolarHBondContact OD2-CH2 3.44Å; K503-W505 HydrophobicContact CB-CH2 3.71Å; K503-W505 HydrophobicContact CB-CZ2 3.77Å; K503-W505 HydrophobicContact CB-CZ3 4.17Å; K503-W505 HydrophobicContact CD-CH2 4.44Å; K503-W505 HydrophobicContact CD-CZ2 3.96Å; W505-K513 HydrophobicContact CB-CG 4.47Å; W505-R514 CarbonylContact C-O 3.58Å; W505-R514 VanDerWaalsContact CA-O 3.23Å; W505-R514 WeakPolarHBondContact CA-O 3.42Å; W505-T515 PolarHBondContact NE1-OG1 3.28Å
506L88.5Confident79.2Confident0 Ų064 Ų640%033%0.325CS..EExtended strand (participates in β ladder)trans-114.1142.1173.5-61.485.2000110.1V495 R496 L497 L504 R514 C516 W528 L540V495-L506 HydrophobicContact CG1-CD2 3.88Å; R496-L506 CarbonylContact O-C 3.58Å; R496-L506 VanDerWaalsContact O-CA 3.32Å; R496-L506 WeakPolarHBondContact O-CA 3.2Å; L497-L506 HydrophobicContact CD2-CD2 4.28Å; L497-L506 HydrophobicContact CD2-CG 3.88Å; L504-L506 HydrophobicContact CD2-CD1 4.01Å; L504-L506 HydrophobicContact CG-CD1 4.03Å; L506-R514 PolarHBondContact N-O 3.11Å; L506-R514 PolarHBondContact O-N 3.28Å; L506-C516 HydrophobicContact CD1-CB 4.13Å; L506-C516 WeakPolarHBondContact CD1-SG 3.17Å; L506-W528 HydrophobicContact CB-CH2 3.8Å; L506-W528 HydrophobicContact CB-CZ3 3.61Å; L506-W528 HydrophobicContact CD2-CZ3 3.91Å; L506-W528 HydrophobicContact CG-CZ3 4.41Å; L506-L540 HydrophobicContact CD1-CD2 3.99Å; L506-L540 HydrophobicContact CD2-CD1 4.5Å; L506-L540 HydrophobicContact CD2-CD2 4.07Å
507F88.3Confident77.9Confident42 Ų4268 Ų6818%0.18435%0.347CS..EExtended strand (participates in β ladder)trans-155.6166.4176.551.1-76.9000110.4R496 K513 W528R496-F507 WeakPolarHBondContact CA-O 3.49Å; R496-F507 HydrophobicContact CB-CD1 4.19Å; R496-F507 HydrophobicContact CB-CD2 3.46Å; R496-F507 VanDerWaalsContact CB-CD2 3.46Å; R496-F507 HydrophobicContact CB-CE1 4.1Å; R496-F507 HydrophobicContact CB-CE2 3.37Å; R496-F507 HydrophobicContact CB-CG 3.88Å; R496-F507 HydrophobicContact CB-CZ 3.7Å; R496-F507 WeakPolarHBondContact CB-O 3.26Å; R496-F507 HydrophobicContact CG-CD2 4.11Å; R496-F507 HydrophobicContact CG-CE2 4.1Å; R496-F507 PolarHBondContact N-O 2.89Å; R496-F507 PolarHBondContact O-N 3.09Å; F507-K513 HydrophobicContact CB-CG 4.41Å; F507-K513 HydrophobicContact CD1-CG 3.96Å; F507-K513 HydrophobicContact CG-CG 4.31Å; F507-W528 VanDerWaalsContact C-CZ2 3.49Å
508D84Confident76.3Confident20 Ų2070.1 Ų70.111%0.10737%0.366CS..  trans-122.1-171.8167.662.834.9000108.7K494 Q510 K511 W528 V532K494-D508 WeakPolarHBondContact O-CA 3.41Å; D508-Q510 PolarHBondContact O-N 2.88Å; D508-Q510 WeakPolarHBondContact OD1-CA 3.21Å; D508-Q510 PolarHBondContact OD1-N 2.94Å; D508-K511 WeakPolarHBondContact OD1-CB 3.01Å; D508-K511 PolarHBondContact OD1-N 2.62Å; D508-W528 HydrophobicContact CB-CZ2 3.99Å; D508-W528 PolarHBondContact OD2-NE1 3.37Å; D508-V532 HydrophobicContact CB-CG2 4.35Å; D508-V532 WeakPolarHBondContact OD2-CG2 3.16Å
509D77.3Confident74.8Confident110 Ų11072.8 Ų72.859%0.58839%0.385SS*.SBendtrans-70.9-13.3179.1-71.7-41.8000114.5R496R496-D509 IonicContact CZ-OD1 3.98Å; R496-D509 IonicContact NE-OD1 2.86Å; R496-D509 PolarHBondContact NE-OD1 2.84Å; R496-D509 IonicContact NE-OD2 3.25Å; R496-D509 IonicContact NH1-OD1 3.85Å; R496-D509 PolarHBondContact NH1-OD1 3.46Å; R496-D509 IonicContact NH2-OD1 2.75Å; R496-D509 PolarHBondContact NH2-OD1 2.78Å; R496-D509 IonicContact NH2-OD2 2.73Å
510Q72.4Confident73.6Confident184 Ų18476.6 Ų76.686%0.8641%0.405SS*.SBendtrans-120.9-13.4-170.5-62.9-171.9-7.900114.2D508D508-Q510 PolarHBondContact O-N 2.88Å; D508-Q510 WeakPolarHBondContact OD1-CA 3.21Å; D508-Q510 PolarHBondContact OD1-N 2.94Å
511K68.2Low73.1Confident82 Ų8274.6 Ų74.636%0.35740%0.396SS..SBendtrans-127.8151.5-170.4-68.5-179.9178.9166.10113.7D508 W528 E531D508-K511 WeakPolarHBondContact OD1-CB 3.01Å; D508-K511 PolarHBondContact OD1-N 2.62Å; K511-W528 VanDerWaalsContact CD-CD1 3.45Å; K511-E531 IonicContact NZ-OE2 2.69Å; K511-E531 PolarHBondContact NZ-OE2 3.49Å
512A60.1Low73.2Confident75 Ų7571.5 Ų71.562%0.6239%0.387SS*.PPolyproline II helixtrans-64.2147.8-176.400000113.3R514A512-R514 PolarHBondContact O-N 2.88Å
513K67.4Low73.7Confident126 Ų12672.2 Ų72.255%0.54838%0.381SS..PPolyproline II helixtrans-48.3122.7172.8-90.2-177.3171.7-175.40111.5W505 F507W505-K513 HydrophobicContact CB-CG 4.47Å; F507-K513 HydrophobicContact CB-CG 4.41Å; F507-K513 HydrophobicContact CD1-CG 3.96Å; F507-K513 HydrophobicContact CG-CG 4.31Å
514R75.5Confident73.9Confident103 Ų10372.8 Ų72.839%0.38939%0.389SS..EExtended strand (participates in β ladder)trans-103133169.7-64.4-103.2-176.9-110.62.4108.7W505 L506 A512 V525W505-R514 CarbonylContact C-O 3.58Å; W505-R514 VanDerWaalsContact CA-O 3.23Å; W505-R514 WeakPolarHBondContact CA-O 3.42Å; L506-R514 PolarHBondContact N-O 3.11Å; L506-R514 PolarHBondContact O-N 3.28Å; A512-R514 PolarHBondContact O-N 2.88Å; R514-V525 HydrophobicContact CB-CG2 4.06Å
515T68Low74Confident75 Ų7573 Ų7346%0.4639%0.39SS..EExtended strand (participates in β ladder)trans-95.9136.2178.3-48.40000109.4K503 W505K503-T515 HydrophobicContact CD-CG2 4.31Å; W505-T515 PolarHBondContact NE1-OG1 3.28Å
516C67.2Low74.1Confident2 Ų270.9 Ų70.91%0.01438%0.382CS..EExtended strand (participates in β ladder)trans-109.6128.7175.5-86.80000110.6L504 L506 C521L504-C516 HydrophobicContact CB-CB 4.35Å; L504-C516 PolarHBondContact O-N 3.18Å; L506-C516 HydrophobicContact CD1-CB 4.13Å; L506-C516 WeakPolarHBondContact CD1-SG 3.17Å; C516-C521 HydrophobicContact CB-CB 4.05Å; C516-C521 WeakPolarHBondContact CB-SG 3.37Å; C516-C521 WeakPolarHBondContact SG-CB 3.1Å; C516-C521 CovalentContact SG-SG 2.03Å; C516-C521 PolarHBondContact SG-SG 2.9Å
517E62Low74.1Confident158 Ų15874.8 Ų74.874%0.73840%0.402SS*.  trans-84.9155.6162-69.4-161.5164.300110.6S519E517-S519 PolarHBondContact O-N 3.29Å
518A56.9Low74.2Confident55 Ų5573 Ų7346%0.45540%0.395SS..SBendtrans-64.9-10.6-155.600000116.4H542A518-H542 WeakPolarHBondContact O-CB 3.41Å; A518-H542 PolarHBondContact O-CD2 2.86Å; A518-H542 PolarHBondContact O-ND1 3.27Å
519S57.7Low74.5Confident89 Ų8972 Ų7262%0.62239%0.389SS*.SBendtrans-109.2-44.8-173.647.80000114.9E517E517-S519 PolarHBondContact O-N 3.29Å
520D60.9Low75.2Confident96 Ų9668.4 Ų68.451%0.51337%0.37SS..BIsolated β-bridgetrans-156123.2-179.2-177.5-8.1000107.4G522D520-G522 PolarHBondContact O-N 3.45Å; D520-G522 PolarHBondContact OD1-N 3.01Å; D520-G522 VanDerWaalsContact OD1-N 3.11Å
521C71.7Confident76Confident18 Ų1865 Ų6512%0.12235%0.354CS..  trans-79.42.7-174.7-61.90000114.6C516 V525 L540C516-C521 HydrophobicContact CB-CB 4.05Å; C516-C521 WeakPolarHBondContact CB-SG 3.37Å; C516-C521 WeakPolarHBondContact SG-CB 3.1Å; C516-C521 CovalentContact SG-SG 2.03Å; C516-C521 PolarHBondContact SG-SG 2.9Å; C521-V525 HydrophobicContact CB-CB 3.64Å; C521-V525 HydrophobicContact CB-CG1 3.74Å; C521-V525 HydrophobicContact CB-CG2 3.78Å; C521-V525 WeakPolarHBondContact O-CG2 3.25Å; C521-L540 HydrophobicContact CB-CB 4.47Å; C521-L540 WeakPolarHBondContact SG-CD2 3.49Å
522G81Confident77.1Confident32 Ų3261.7 Ų61.733%0.3334%0.341SS..Hα-helixtrans77.317817500000114.8D520 D524 V525 A526D520-G522 PolarHBondContact O-N 3.45Å; D520-G522 PolarHBondContact OD1-N 3.01Å; D520-G522 VanDerWaalsContact OD1-N 3.11Å; G522-D524 PolarHBondContact O-N 3.06Å; G522-V525 PolarHBondContact O-N 3.08Å; G522-A526 PolarHBondContact O-N 3.29Å
523E87.2Confident78.5Confident103 Ų10358.2 Ų58.248%0.48131%0.312SS..Hα-helixtrans-66.9-36.4-170.9-161.362.3-154.500113.2V525 A526 I527 R539E523-V525 VanDerWaalsContact C-N 3.3Å; E523-V525 PolarHBondContact O-N 3.05Å; E523-A526 WeakPolarHBondContact O-CB 3.45Å; E523-A526 PolarHBondContact O-N 3.35Å; E523-A526 VanDerWaalsContact O-N 3.16Å; E523-I527 HydrophobicContact CG-CD1 3.87Å; E523-I527 HydrophobicContact CG-CG1 4.25Å; E523-I527 WeakPolarHBondContact O-CG1 3.33Å; E523-I527 PolarHBondContact O-N 3.3Å; E523-R539 IonicContact OE1-NH1 2.63Å; E523-R539 IonicContact OE1-NH2 2.85Å; E523-R539 PolarHBondContact OE1-NH2 3.46Å; E523-R539 IonicContact OE2-CZ 3.96Å; E523-R539 IonicContact OE2-NH1 2.89Å; E523-R539 PolarHBondContact OE2-NH1 3.42Å; E523-R539 IonicContact OE2-NH2 2.61Å; E523-R539 PolarHBondContact OE2-NH2 2.97Å
524D85.6Confident79.5Confident111 Ų11160.8 Ų60.859%0.59432%0.323SS*.Hα-helixtrans-61.4-38.6-179.6-74-0.6000112.3G522 W528G522-D524 PolarHBondContact O-N 3.06Å; D524-W528 WeakPolarHBondContact O-CB 3.48Å; D524-W528 PolarHBondContact O-N 3.47Å
525V86.8Confident80.1Confident4 Ų458 Ų582%0.02432%0.317CS..Hα-helixtrans-74.6-37.5176.3174.90000110.8R514 C521 G522 E523 W528 L529R514-V525 HydrophobicContact CB-CG2 4.06Å; C521-V525 HydrophobicContact CB-CB 3.64Å; C521-V525 HydrophobicContact CB-CG1 3.74Å; C521-V525 HydrophobicContact CB-CG2 3.78Å; C521-V525 WeakPolarHBondContact O-CG2 3.25Å; G522-V525 PolarHBondContact O-N 3.08Å; E523-V525 VanDerWaalsContact C-N 3.3Å; E523-V525 PolarHBondContact O-N 3.05Å; V525-W528 HydrophobicContact CG1-CE3 4.49Å; V525-W528 PolarHBondContact O-N 3.25Å; V525-L529 HydrophobicContact CG1-CD1 3.96Å; V525-L529 HydrophobicContact CG1-CG 4.26Å; V525-L529 WeakPolarHBondContact O-CB 3.21Å; V525-L529 VanDerWaalsContact O-CG 3.29Å; V525-L529 WeakPolarHBondContact O-CG 3.11Å; V525-L529 PolarHBondContact O-N 3.49Å
526A89.3Confident80.9Confident3 Ų363 Ų633%0.02533%0.333CS..Hα-helixtrans-62.3-49.3176.700000112.6G522 E523 W528 L529 D530 T538G522-A526 PolarHBondContact O-N 3.29Å; E523-A526 WeakPolarHBondContact O-CB 3.45Å; E523-A526 PolarHBondContact O-N 3.35Å; E523-A526 VanDerWaalsContact O-N 3.16Å; A526-W528 VanDerWaalsContact C-N 3.3Å; A526-W528 PolarHBondContact O-N 3.26Å; A526-L529 PolarHBondContact O-N 2.87Å; A526-D530 PolarHBondContact O-N 3.41Å; A526-T538 WeakPolarHBondContact CA-O 3.49Å; A526-T538 VanDerWaalsContact CB-O 3.26Å; A526-T538 WeakPolarHBondContact CB-O 3.48Å
527I89.5Confident82Confident82 Ų8264.4 Ų64.442%0.42135%0.347SS..Hα-helixtrans-59.5-44.2176.3-67.9169.7000110.3E523 D530 E531E523-I527 HydrophobicContact CG-CD1 3.87Å; E523-I527 HydrophobicContact CG-CG1 4.25Å; E523-I527 WeakPolarHBondContact O-CG1 3.33Å; E523-I527 PolarHBondContact O-N 3.3Å; I527-D530 WeakPolarHBondContact O-CB 3.3Å; I527-D530 PolarHBondContact O-N 3.07Å; I527-E531 WeakPolarHBondContact O-CG 3.44Å; I527-E531 PolarHBondContact O-N 2.91Å; I527-E531 VanDerWaalsContact O-N 3.12Å
528W89.8Confident83.4Confident5 Ų557 Ų572%0.01931%0.313CS..Hα-helixtrans-63.5-42.5177.5171.671.1000112.5V495 L506 F507 D508 K511 D524 V525 A526 D530 E531 V532V495-W528 HydrophobicContact CB-CH2 4.48Å; V495-W528 HydrophobicContact CG1-CH2 4.02Å; V495-W528 HydrophobicContact CG1-CZ3 4.36Å; V495-W528 HydrophobicContact CG2-CH2 4.21Å; L506-W528 HydrophobicContact CB-CH2 3.8Å; L506-W528 HydrophobicContact CB-CZ3 3.61Å; L506-W528 HydrophobicContact CD2-CZ3 3.91Å; L506-W528 HydrophobicContact CG-CZ3 4.41Å; F507-W528 VanDerWaalsContact C-CZ2 3.49Å; D508-W528 HydrophobicContact CB-CZ2 3.99Å; D508-W528 PolarHBondContact OD2-NE1 3.37Å; K511-W528 VanDerWaalsContact CD-CD1 3.45Å; D524-W528 WeakPolarHBondContact O-CB 3.48Å; D524-W528 PolarHBondContact O-N 3.47Å; V525-W528 HydrophobicContact CG1-CE3 4.49Å; V525-W528 PolarHBondContact O-N 3.25Å; A526-W528 VanDerWaalsContact C-N 3.3Å; A526-W528 PolarHBondContact O-N 3.26Å; W528-D530 VanDerWaalsContact C-N 3.35Å; W528-D530 PolarHBondContact O-N 3.32Å; W528-E531 PolarHBondContact O-N 3.16Å; W528-V532 HydrophobicContact CD2-CG2 4.21Å; W528-V532 HydrophobicContact CG-CG2 4.49Å; W528-V532 HydrophobicContact CZ2-CG2 3.81Å; W528-V532 WeakPolarHBondContact O-CG2 3.39Å; W528-V532 PolarHBondContact O-N 2.9Å
529L90.6Very high85Confident0 Ų058.1 Ų58.10%031%0.305CS..Hα-helixtrans-61.3-43175.9-77.1170.8000111.4V476 V495 V525 A526 E531 V532 L533 T538 L540V476-L529 HydrophobicContact CG1-CD1 4.42Å; V476-L529 HydrophobicContact CG2-CD1 4.48Å; V476-L529 HydrophobicContact CG2-CD2 4.31Å; V495-L529 HydrophobicContact CG2-CD2 4.08Å; V525-L529 HydrophobicContact CG1-CD1 3.96Å; V525-L529 HydrophobicContact CG1-CG 4.26Å; V525-L529 WeakPolarHBondContact O-CB 3.21Å; V525-L529 VanDerWaalsContact O-CG 3.29Å; V525-L529 WeakPolarHBondContact O-CG 3.11Å; V525-L529 PolarHBondContact O-N 3.49Å; A526-L529 PolarHBondContact O-N 2.87Å; L529-E531 VanDerWaalsContact C-N 3.3Å; L529-E531 PolarHBondContact O-N 3.29Å; L529-V532 PolarHBondContact O-N 3.46Å; L529-L533 HydrophobicContact CB-CD1 4.26Å; L529-L533 HydrophobicContact CD2-CD1 4.18Å; L529-L533 WeakPolarHBondContact O-CB 3.26Å; L529-L533 WeakPolarHBondContact O-CG 3.24Å; L529-L533 PolarHBondContact O-N 3.39Å; L529-T538 HydrophobicContact CB-CG2 4.18Å; L529-L540 HydrophobicContact CD1-CB 4.1Å
530D91.4Very high86.5Confident33 Ų3354 Ų5418%0.17628%0.276CS..Hα-helixtrans-56.8-43.3175.1-83.9-11.6000112.1A526 I527 W528 K534 T535 K536 G537 T538A526-D530 PolarHBondContact O-N 3.41Å; I527-D530 WeakPolarHBondContact O-CB 3.3Å; I527-D530 PolarHBondContact O-N 3.07Å; W528-D530 VanDerWaalsContact C-N 3.35Å; W528-D530 PolarHBondContact O-N 3.32Å; D530-K534 VanDerWaalsContact O-CA 3.27Å; D530-K534 WeakPolarHBondContact O-CA 3.39Å; D530-K534 PolarHBondContact O-N 2.91Å; D530-T535 WeakPolarHBondContact CB-O 3.09Å; D530-T535 PolarHBondContact O-N 2.88Å; D530-K536 VanDerWaalsContact OD1-C 3.28Å; D530-K536 VanDerWaalsContact OD1-CA 3.31Å; D530-K536 WeakPolarHBondContact OD1-CA 3.38Å; D530-K536 PolarHBondContact OD1-N 2.84Å; D530-K536 WeakPolarHBondContact OD2-CA 3.21Å; D530-G537 VanDerWaalsContact CG-N 3.31Å; D530-G537 PolarHBondContact OD1-N 3.19Å; D530-G537 PolarHBondContact OD2-N 3.02Å; D530-T538 WeakPolarHBondContact OD1-CB 3.48Å; D530-T538 PolarHBondContact OD1-N 3.44Å; D530-T538 PolarHBondContact OD1-OG1 3.05Å
531E90.3Very high87.7Confident113 Ų11352 Ų5253%0.52827%0.267SS..Hα-helixtrans-65.4-46.6177.6-69.3175.8155.600112.3K511 I527 W528 L529K511-E531 IonicContact NZ-OE2 2.69Å; K511-E531 PolarHBondContact NZ-OE2 3.49Å; I527-E531 WeakPolarHBondContact O-CG 3.44Å; I527-E531 PolarHBondContact O-N 2.91Å; I527-E531 VanDerWaalsContact O-N 3.12Å; W528-E531 PolarHBondContact O-N 3.16Å; L529-E531 VanDerWaalsContact C-N 3.3Å; L529-E531 PolarHBondContact O-N 3.29Å
532V89.4Confident88.3Confident13 Ų1353.3 Ų53.38%0.07927%0.271CS..Hα-helixtrans-68.1-44.2-178.1173.70000111.3K494 V495 D508 W528 L529 K534K494-V532 HydrophobicContact CB-CG1 3.94Å; V495-V532 HydrophobicContact CG2-CG1 3.97Å; D508-V532 HydrophobicContact CB-CG2 4.35Å; D508-V532 WeakPolarHBondContact OD2-CG2 3.16Å; W528-V532 HydrophobicContact CD2-CG2 4.21Å; W528-V532 HydrophobicContact CG-CG2 4.49Å; W528-V532 HydrophobicContact CZ2-CG2 3.81Å; W528-V532 WeakPolarHBondContact O-CG2 3.39Å; W528-V532 PolarHBondContact O-N 2.9Å; L529-V532 PolarHBondContact O-N 3.46Å; V532-K534 VanDerWaalsContact C-N 3.33Å
533L89.7Confident87.9Confident2 Ų253.3 Ų53.31%0.0127%0.267CS..Hα-helixtrans-85.6-8.8-174.6-59.5174.1000113.3V476 N489 A491 I492 V495 L529 T535 T538V476-L533 HydrophobicContact CG1-CD1 3.71Å; N489-L533 PolarHBondContact ND2-O 2.94Å; N489-L533 VanDerWaalsContact ND2-O 3.1Å; A491-L533 HydrophobicContact CB-CD2 4.43Å; I492-L533 HydrophobicContact CB-CD2 3.66Å; I492-L533 HydrophobicContact CG1-CD2 3.96Å; V495-L533 HydrophobicContact CG2-CD2 4.27Å; L529-L533 HydrophobicContact CB-CD1 4.26Å; L529-L533 HydrophobicContact CD2-CD1 4.18Å; L529-L533 WeakPolarHBondContact O-CB 3.26Å; L529-L533 WeakPolarHBondContact O-CG 3.24Å; L529-L533 PolarHBondContact O-N 3.39Å; L533-T535 VanDerWaalsContact C-N 3.28Å; L533-T535 HydrophobicContact CB-CG2 4.25Å; L533-T535 WeakPolarHBondContact CB-OG1 3.23Å; L533-T535 PolarHBondContact O-N 3.32Å; L533-T538 HydrophobicContact CD1-CG2 3.85Å
534K89.5Confident86.5Confident179 Ų17953.2 Ų53.278%0.77828%0.277SS*.THydrogen-bonded Turntrans56.942.8-174.6-55.5-178.9177.7-177.80112D530 V532D530-K534 VanDerWaalsContact O-CA 3.27Å; D530-K534 WeakPolarHBondContact O-CA 3.39Å; D530-K534 PolarHBondContact O-N 2.91Å; V532-K534 VanDerWaalsContact C-N 3.33Å
535T86.9Confident84.7Confident44 Ų4449.6 Ų49.627%0.2727%0.267SS..  trans-122-179.4-178.748.40000110.4D530 L533 T538D530-T535 WeakPolarHBondContact CB-O 3.09Å; D530-T535 PolarHBondContact O-N 2.88Å; L533-T535 VanDerWaalsContact C-N 3.28Å; L533-T535 HydrophobicContact CB-CG2 4.25Å; L533-T535 WeakPolarHBondContact CB-OG1 3.23Å; L533-T535 PolarHBondContact O-N 3.32Å; T535-T538 PolarHBondContact OG1-OG1 3.49Å
536K86.7Confident82.3Confident182 Ų18256.5 Ų56.579%0.79131%0.311SS*.SBendtrans-133.6137.6172.2-73.6-167.5177.4-173.80111.2S479 D530S479-K536 PolarHBondContact OG-O 3.42Å; D530-K536 VanDerWaalsContact OD1-C 3.28Å; D530-K536 VanDerWaalsContact OD1-CA 3.31Å; D530-K536 WeakPolarHBondContact OD1-CA 3.38Å; D530-K536 PolarHBondContact OD1-N 2.84Å; D530-K536 WeakPolarHBondContact OD2-CA 3.21Å
537G89.5Confident80.1Confident31 Ų3159.8 Ų59.832%0.3233%0.334SS..SBendtrans72.829.4177.300000113.5D478 S479 D530D478-G537 CarbonylContact C-O 3.44Å; S479-G537 VanDerWaalsContact CA-O 3.26Å; S479-G537 WeakPolarHBondContact CA-O 3.22Å; S479-G537 PolarHBondContact N-O 3.34Å; D530-G537 VanDerWaalsContact CG-N 3.31Å; D530-G537 PolarHBondContact OD1-N 3.19Å; D530-G537 PolarHBondContact OD2-N 3.02Å
538T90.8Very high78.2Confident1 Ų158.2 Ų58.21%0.00633%0.327CS..  trans-75.2141.1178.9-44.90000110.9V476 V477 V484 A526 L529 D530 L533 T535V476-T538 HydrophobicContact CG1-CG2 3.16Å; V477-T538 CarbonylContact O-C 3.58Å; V477-T538 VanDerWaalsContact O-CA 3.26Å; V477-T538 WeakPolarHBondContact O-CA 3.44Å; V477-T538 WeakPolarHBondContact O-CG2 3.47Å; V484-T538 HydrophobicContact CG2-CG2 4.47Å; A526-T538 WeakPolarHBondContact CA-O 3.49Å; A526-T538 VanDerWaalsContact CB-O 3.26Å; A526-T538 WeakPolarHBondContact CB-O 3.48Å; L529-T538 HydrophobicContact CB-CG2 4.18Å; D530-T538 WeakPolarHBondContact OD1-CB 3.48Å; D530-T538 PolarHBondContact OD1-N 3.44Å; D530-T538 PolarHBondContact OD1-OG1 3.05Å; L533-T538 HydrophobicContact CD1-CG2 3.85Å; T535-T538 PolarHBondContact OG1-OG1 3.49Å
539R90.1Very high76.4Confident79 Ų7964 Ų6430%0.29835%0.354SS..EExtended strand (participates in β ladder)trans-129.3148.4176.4-63-70.7176-171.4-7.9111.3V476 V477 E523 V541V476-R539 CarbonylContact C-O 3.51Å; V476-R539 WeakPolarHBondContact CA-O 3.42Å; V477-R539 HydrophobicContact CG2-CB 3.91Å; V477-R539 PolarHBondContact N-O 3.18Å; V477-R539 PolarHBondContact O-N 3.01Å; E523-R539 IonicContact OE1-NH1 2.63Å; E523-R539 IonicContact OE1-NH2 2.85Å; E523-R539 PolarHBondContact OE1-NH2 3.46Å; E523-R539 IonicContact OE2-CZ 3.96Å; E523-R539 IonicContact OE2-NH1 2.89Å; E523-R539 PolarHBondContact OE2-NH1 3.42Å; E523-R539 IonicContact OE2-NH2 2.61Å; E523-R539 PolarHBondContact OE2-NH2 2.97Å; R539-V541 HydrophobicContact CB-CG1 4.3Å
540L89.8Confident74.4Confident4 Ų464.4 Ų64.42%0.02136%0.358CS..EExtended strand (participates in β ladder)trans-92.2119.4162.2-166.873.6000108V449 W474 V476 L504 L506 C521 L529V449-L540 HydrophobicContact CG1-CD1 3.69Å; V449-L540 HydrophobicContact CG2-CD1 4.14Å; W474-L540 HydrophobicContact CB-CD1 4.2Å; W474-L540 HydrophobicContact CB-CD2 4.4Å; W474-L540 HydrophobicContact CB-CG 4.28Å; W474-L540 HydrophobicContact CG-CD2 4.33Å; V476-L540 HydrophobicContact CG2-CD1 3.7Å; L504-L540 HydrophobicContact CD2-CD2 4.11Å; L506-L540 HydrophobicContact CD1-CD2 3.99Å; L506-L540 HydrophobicContact CD2-CD1 4.5Å; L506-L540 HydrophobicContact CD2-CD2 4.07Å; C521-L540 HydrophobicContact CB-CB 4.47Å; C521-L540 WeakPolarHBondContact SG-CD2 3.49Å; L529-L540 HydrophobicContact CD1-CB 4.1Å
541V86.4Confident72.8Confident53 Ų5364.9 Ų64.932%0.32136%0.36SS..EExtended strand (participates in β ladder)trans-113.9145.7179.6-63.10000110.6W474 M475 V477 R539W474-V541 CarbonylContact C-O 3.6Å; W474-V541 VanDerWaalsContact CA-O 3.27Å; W474-V541 WeakPolarHBondContact CA-O 3.17Å; M475-V541 HydrophobicContact CG-CG2 3.44Å; M475-V541 VanDerWaalsContact CG-CG2 3.44Å; M475-V541 PolarHBondContact N-O 3.29Å; M475-V541 WeakPolarHBondContact O-CG2 3.03Å; M475-V541 PolarHBondContact O-N 2.97Å; M475-V541 HydrophobicContact SD-CG2 4.36Å; V477-V541 HydrophobicContact CG1-CG2 3.7Å; V477-V541 HydrophobicContact CG2-CG1 3.68Å; V477-V541 HydrophobicContact CG2-CG2 4.08Å; R539-V541 HydrophobicContact CB-CG1 4.3Å
542H84.3Confident71.2Confident45 Ų4561.1 Ų61.121%0.20834%0.344CS..EExtended strand (participates in β ladder)trans-103.7141.8175.4-179.4-96.8000111.6K473 W474 A518 S544K473-H542 WeakPolarHBondContact O-CA 3.36Å; K473-H542 PolarHBondContact O-CD2 3.02Å; K473-H542 VanDerWaalsContact O-CD2 3.3Å; W474-H542 AromaticContact CD1-CD2 3.91Å; W474-H542 AromaticContact CD2-CD2 3.98Å; W474-H542 AromaticContact CE2-CD2 3.51Å; W474-H542 AromaticContact CZ2-CD2 3.88Å; W474-H542 AromaticContact NE1-CD2 3.47Å; W474-H542 PolarHBondContact NE1-CD2 2.84Å; W474-H542 AromaticContact NE1-CG 4Å; A518-H542 WeakPolarHBondContact O-CB 3.41Å; A518-H542 PolarHBondContact O-CD2 2.86Å; A518-H542 PolarHBondContact O-ND1 3.27Å; H542-S544 PolarHBondContact O-N 2.94Å
543S73.5Confident69.8Low33 Ų3366.8 Ų66.823%0.23137%0.373CS..  trans-82.689.4173.61690000110.2K473K473-S543 PolarHBondContact O-N 3.28Å
544S57.7Low68.8Low100 Ų10072.2 Ų72.270%0.69940%0.399SS*.  trans-107102.4170.232.60000110.7H542H542-S544 PolarHBondContact O-N 2.94Å
545G47.4Very low68.4Low36 Ų3664.3 Ų64.337%0.37137%0.366SS..  trans-147154.6175.700000112.5S547G545-S547 CarbonylContact O-C 3.58Å; G545-S547 PolarHBondContact O-N 3.18Å
546P36.3Very low68.3Low148 Ų14863.2 Ų63.296%0.96136%0.358SS*.SBendtrans-66.8-8.8-171.921.3-27.8000114.9
547S42.6Very low68.6Low73 Ų7354.6 Ų54.651%0.5132%0.321SS..SBendtrans-110.988.416657.40000107.5G545 H549G545-S547 CarbonylContact O-C 3.58Å; G545-S547 PolarHBondContact O-N 3.18Å; S547-H549 PolarHBondContact O-N 3.39Å
548D50.6Low68.9Low49 Ų4953.4 Ų53.426%0.26231%0.307SS..  trans-68.830.8-172.5-16842.8000114.1Y466 K473 G550Y466-D548 WeakPolarHBondContact CB-O 3.16Å; Y466-D548 WeakPolarHBondContact CD1-O 3.35Å; Y466-D548 HydrophobicContact CD2-CB 3.93Å; Y466-D548 WeakPolarHBondContact CD2-O 3.25Å; Y466-D548 HydrophobicContact CE2-CB 3.59Å; K473-D548 PolarHBondContact NZ-O 3.48Å; K473-D548 IonicContact NZ-OD1 4Å; K473-D548 PolarHBondContact NZ-OD1 2.68Å; K473-D548 IonicContact NZ-OD2 2.72Å; K473-D548 PolarHBondContact NZ-OD2 2.68Å; D548-G550 PolarHBondContact O-N 2.74Å
549H50.2Low69.2Low127 Ų12753.3 Ų53.359%0.58831%0.307SS*.  trans-61.4100.2162.9-51.1-57.1000106.8Y466 S547Y466-H549 AromaticContact CD1-ND1 3.48Å; Y466-H549 WeakPolarHBondContact CD1-ND1 3.31Å; Y466-H549 AromaticContact CE1-CE1 3.7Å; Y466-H549 AromaticContact CE1-ND1 3.44Å; Y466-H549 WeakPolarHBondContact CE1-ND1 3.33Å; S547-H549 PolarHBondContact O-N 3.39Å
550G50.5Low69.4Low8 Ų849.6 Ų49.68%0.08229%0.292CS..  trans-52.1176.1172.600000111.5D548 N552D548-G550 PolarHBondContact O-N 2.74Å; G550-N552 PolarHBondContact O-N 3.43Å
551L57.3Low69.7Low43 Ų4349.4 Ų49.423%0.22529%0.291CS..SBendtrans-7130.8-176.1-60.4163.4000114.1K450 R472 M475 N553K450-L551 HydrophobicContact CB-CD1 4.47Å; K450-L551 HydrophobicContact CD-CB 4.04Å; K450-L551 HydrophobicContact CD-CD1 4.35Å; K450-L551 PolarHBondContact NZ-O 2.88Å; R472-L551 HydrophobicContact CB-CB 4.08Å; R472-L551 WeakPolarHBondContact O-CB 3.29Å; R472-L551 WeakPolarHBondContact O-CG 3.35Å; R472-L551 PolarHBondContact O-N 3.35Å; M475-L551 HydrophobicContact CB-CD1 3.87Å; M475-L551 HydrophobicContact CG-CD1 3.88Å; M475-L551 HydrophobicContact SD-CD1 3.62Å; M475-L551 HydrophobicContact SD-CD2 4.05Å; L551-N553 PolarHBondContact O-OD1 3.32Å
552N56.9Low70.1Confident34 Ų3448.4 Ų48.418%0.18228%0.282CS..  trans-71.7119.7176.7-73.6-12.6000110.5Y466 R472 G550Y466-N552 PolarHBondContact O-ND2 3.45Å; R472-N552 WeakPolarHBondContact CD-OD1 3.3Å; R472-N552 WeakPolarHBondContact CG-OD1 3.29Å; R472-N552 PolarHBondContact NE-OD1 3.15Å; R472-N552 PolarHBondContact NH1-OD1 2.99Å; G550-N552 PolarHBondContact O-N 3.43Å
553N58.6Low70.6Confident131 Ų13147.5 Ų47.570%0.70128%0.282SS*.SBendtrans-78.1-32.4-170.7-67.7-13.3000114K450 L551K450-N553 PolarHBondContact NZ-OD1 2.96Å; L551-N553 PolarHBondContact O-OD1 3.32Å
554Q68.9Low71.5Confident117 Ų11745.9 Ų45.955%0.54727%0.271SS..SBendtrans-139.2-38-172.6-75.7-176.7-19.300114.4Y651Q554-Y651 HydrophobicContact CB-CE1 4.38Å; Q554-Y651 HydrophobicContact CB-CE2 3.94Å; Q554-Y651 PolarHBondContact OE1-OH 3.06Å
555A80.7Confident73.2Confident12 Ų1241.1 Ų41.110%0.09924%0.238CC..  trans-143.6165.8-176.900000112.4I612 Y651A555-I612 HydrophobicContact CB-CD1 3.79Å; A555-Y651 HydrophobicContact CB-CD1 3.37Å; A555-Y651 HydrophobicContact CB-CD2 4.45Å; A555-Y651 HydrophobicContact CB-CE1 4.16Å; A555-Y651 HydrophobicContact CB-CG 3.55Å
556Q86.4Confident75.2Confident21 Ų2142.8 Ų42.810%0.09824%0.236CC..SBendtrans-70.6-38.1178.1-70.6172.5-31.200112.1N465N465-Q556 PolarHBondContact O-NE2 3.32Å
557Y92.9Very high77.7Confident2 Ų240.2 Ų40.21%0.00821%0.207CC..EExtended strand (participates in β ladder)trans-137.8148.6179.6-45.7-97.8000110.4I463 G467 L468 N585 L586 F609 L652 L654I463-Y557 WeakPolarHBondContact CB-OH 3.33Å; I463-Y557 HydrophobicContact CG2-CE1 4.09Å; I463-Y557 WeakPolarHBondContact CG2-OH 3.29Å; G467-Y557 VanDerWaalsContact CA-CZ 3.49Å; G467-Y557 WeakPolarHBondContact CA-OH 3.45Å; G467-Y557 PolarHBondContact O-OH 2.82Å; L468-Y557 HydrophobicContact CB-CE1 4.49Å; L468-Y557 HydrophobicContact CD2-CD1 4.47Å; L468-Y557 HydrophobicContact CD2-CE1 3.96Å; L468-Y557 HydrophobicContact CG-CD1 4.02Å; L468-Y557 HydrophobicContact CG-CE1 3.76Å; Y557-N585 HydrophobicContact CD1-CB 4.4Å; Y557-L586 HydrophobicContact CD1-CD1 4.37Å; Y557-F609 HydrophobicContact CD2-CD1 4.19Å; Y557-F609 AromaticContact CD2-CE1 3.9Å; Y557-F609 HydrophobicContact CD2-CE1 3.9Å; Y557-F609 HydrophobicContact CE2-CD1 4.26Å; Y557-F609 AromaticContact CE2-CE1 3.68Å; Y557-F609 HydrophobicContact CE2-CE1 3.68Å; Y557-L652 PolarHBondContact N-O 3.13Å; Y557-L652 PolarHBondContact O-N 2.96Å; Y557-L654 HydrophobicContact CE2-CD1 3.87Å; Y557-L654 HydrophobicContact CE2-CG 4.4Å; Y557-L654 VanDerWaalsContact OH-CD1 3.26Å; Y557-L654 WeakPolarHBondContact OH-CD1 3.39Å
558L95Very high79.8Confident5 Ų536.8 Ų36.83%0.02618%0.183CC..EExtended strand (participates in β ladder)trans-109.4126.8163.5176.162.1000108.8F582 N585 L586 C615 Y651L558-F582 VanDerWaalsContact CD2-O 3.3Å; L558-F582 WeakPolarHBondContact CD2-O 3.31Å; L558-N585 PolarHBondContact N-OD1 3.37Å; L558-N585 VanDerWaalsContact N-OD1 3.17Å; L558-N585 PolarHBondContact O-N 2.93Å; L558-L586 PolarHBondContact O-N 2.77Å; L558-C615 HydrophobicContact CD1-CB 3.43Å; L558-C615 VanDerWaalsContact CD1-CB 3.43Å; L558-Y651 HydrophobicContact CD1-CD1 4.17Å; L558-Y651 HydrophobicContact CD1-CE1 4.24Å
559M96.5Very high81.5Confident0 Ų034.4 Ų34.40%017%0.17CC..EExtended strand (participates in β ladder)trans-109.4140.4172.5-170.7179.37400110.6L586 I588 E596 W599 V602 G649 I650 L652M559-L586 VanDerWaalsContact CA-O 3.28Å; M559-L586 WeakPolarHBondContact CA-O 3.46Å; M559-L586 HydrophobicContact CB-CB 4.29Å; M559-L586 HydrophobicContact CG-CB 4.09Å; M559-I588 HydrophobicContact CE-CD1 3.99Å; M559-I588 HydrophobicContact CG-CG2 4Å; M559-I588 HydrophobicContact SD-CD1 4.23Å; M559-I588 HydrophobicContact SD-CG2 3.52Å; M559-I588 VanDerWaalsContact SD-CG2 3.52Å; M559-E596 HydrophobicContact CE-CB 4.19Å; M559-W599 HydrophobicContact CE-CE3 3.92Å; M559-W599 HydrophobicContact CE-CZ3 3.79Å; M559-V602 HydrophobicContact CE-CG1 4.4Å; M559-V602 HydrophobicContact CE-CG2 3.94Å; M559-V602 HydrophobicContact SD-CG1 4.21Å; M559-G649 CarbonylContact O-C 3.56Å; M559-G649 WeakPolarHBondContact O-CA 3.4Å; M559-I650 HydrophobicContact CB-CG1 4.17Å; M559-I650 HydrophobicContact CE-CD1 3.35Å; M559-I650 HydrophobicContact CE-CG1 3.78Å; M559-I650 PolarHBondContact N-O 3.04Å; M559-I650 PolarHBondContact O-N 3.5Å; M559-L652 HydrophobicContact CB-CD1 3.71Å; M559-L652 HydrophobicContact CB-CG 4.14Å; M559-L652 HydrophobicContact CG-CD1 4.37Å; M559-L652 HydrophobicContact SD-CD1 3.92Å
560V96.1Very high83.1Confident0 Ų033.3 Ų33.30%017%0.166CC..EExtended strand (participates in β ladder)trans-131150.6170.7-61.50000109.6V565 I579 P584 L586 V587 I588 F648V560-V565 HydrophobicContact CB-CG2 4.3Å; V560-V565 HydrophobicContact CG2-CG2 4.16Å; V560-I579 HydrophobicContact CG2-CG2 4.04Å; V560-P584 HydrophobicContact CB-CB 4.24Å; V560-P584 HydrophobicContact CG1-CB 3.91Å; V560-P584 HydrophobicContact CG2-CB 3.46Å; V560-P584 VanDerWaalsContact CG2-CB 3.46Å; V560-P584 HydrophobicContact CG2-CG 3.65Å; V560-L586 PolarHBondContact N-O 3.37Å; V560-V587 HydrophobicContact CG2-CB 4.5Å; V560-V587 HydrophobicContact CG2-CG1 4.35Å; V560-V587 HydrophobicContact CG2-CG2 4.02Å; V560-V587 WeakPolarHBondContact O-CA 3.38Å; V560-I588 PolarHBondContact O-N 3.44Å; V560-F648 HydrophobicContact CB-CE1 4.26Å; V560-F648 HydrophobicContact CG1-CD1 4.14Å; V560-F648 HydrophobicContact CG1-CE1 3.9Å
561N95.2Very high84.5Confident0 Ų036.6 Ų36.60%018%0.179CC..EExtended strand (participates in β ladder)trans-91.6132170.1175.510.7000110.1A563 S564 V565 I588 A591 E592 E596N561-A563 PolarHBondContact O-N 3.04Å; N561-A563 PolarHBondContact OD1-N 3.4Å; N561-S564 WeakPolarHBondContact CB-OG 3.41Å; N561-S564 WeakPolarHBondContact O-CB 3.42Å; N561-S564 PolarHBondContact O-N 3.37Å; N561-S564 VanDerWaalsContact O-N 3.13Å; N561-V565 PolarHBondContact O-N 3.02Å; N561-V565 VanDerWaalsContact O-N 3.09Å; N561-I588 HydrophobicContact CB-CD1 4.25Å; N561-I588 HydrophobicContact CB-CG1 3.93Å; N561-I588 PolarHBondContact OD1-O 2.88Å; N561-A591 PolarHBondContact ND2-O 2.98Å; N561-A591 VanDerWaalsContact ND2-O 3.13Å; N561-E592 PolarHBondContact ND2-O 3.14Å; N561-E596 HydrophobicContact CB-CB 4.49Å; N561-E596 HydrophobicContact CB-CG 4.11Å; N561-E596 WeakPolarHBondContact CB-OE1 3.48Å; N561-E596 WeakPolarHBondContact CB-OE2 3.47Å; N561-E596 PolarHBondContact ND2-OE2 3.49Å
562R95.4Very high85.5Confident32 Ų3236.2 Ų36.212%0.12118%0.176CC..Hα-helixtrans-53.3-42174.8169.7172.6-77.9-89.35111.2E442 S564 V565 Q566 E577 I579 V587 I588E442-R562 IonicContact OE1-CZ 3.36Å; E442-R562 IonicContact OE1-NE 3.57Å; E442-R562 PolarHBondContact OE1-NE 3.33Å; E442-R562 IonicContact OE1-NH2 2.73Å; E442-R562 PolarHBondContact OE1-NH2 2.83Å; E442-R562 IonicContact OE2-CZ 2.73Å; E442-R562 IonicContact OE2-NE 2.62Å; E442-R562 PolarHBondContact OE2-NE 2.97Å; E442-R562 IonicContact OE2-NH2 3.61Å; E442-R562 PolarHBondContact OE2-NH2 3.36Å; R562-S564 VanDerWaalsContact C-N 3.34Å; R562-S564 PolarHBondContact O-N 3.18Å; R562-V565 PolarHBondContact O-N 2.87Å; R562-Q566 WeakPolarHBondContact O-CB 3.13Å; R562-Q566 PolarHBondContact O-N 2.96Å; R562-E577 IonicContact CZ-OE1 3.93Å; R562-E577 IonicContact NH1-OE1 3.75Å; R562-E577 PolarHBondContact NH1-OE1 2.88Å; R562-E577 IonicContact NH2-OE1 3.19Å; R562-E577 PolarHBondContact NH2-OE1 3.23Å; R562-E577 IonicContact NH2-OE2 3.59Å; R562-E577 PolarHBondContact NH2-OE2 2.75Å; R562-I579 HydrophobicContact CG-CD1 4.39Å; R562-V587 HydrophobicContact CB-CG1 4.23Å; R562-I588 WeakPolarHBondContact CB-O 2.94Å; R562-I588 PolarHBondContact N-O 3.47Å
563A93.3Very high86.7Confident26 Ų2643.5 Ų43.522%0.21521%0.209CC..Hα-helixtrans-64.4-38.4-179.400000112N561 R567 A591 P593N561-A563 PolarHBondContact O-N 3.04Å; N561-A563 PolarHBondContact OD1-N 3.4Å; A563-R567 VanDerWaalsContact O-CB 3.31Å; A563-R567 WeakPolarHBondContact O-CB 3.32Å; A563-R567 PolarHBondContact O-N 2.49Å; A563-A591 WeakPolarHBondContact CB-O 3.29Å; A563-P593 HydrophobicContact CB-CG 3.95Å
564S92.9Very high87.8Confident0 Ų039.6 Ų39.60%019%0.187CC..Hα-helixtrans-63.9-41.1173.7-52.30000112.1N561 R562 L568 F594 E596N561-S564 WeakPolarHBondContact CB-OG 3.41Å; N561-S564 WeakPolarHBondContact O-CB 3.42Å; N561-S564 PolarHBondContact O-N 3.37Å; N561-S564 VanDerWaalsContact O-N 3.13Å; R562-S564 VanDerWaalsContact C-N 3.34Å; R562-S564 PolarHBondContact O-N 3.18Å; S564-L568 WeakPolarHBondContact O-CB 3.32Å; S564-L568 PolarHBondContact O-N 2.95Å; S564-L568 VanDerWaalsContact O-N 3.14Å; S564-F594 WeakPolarHBondContact OG-CA 3.32Å; S564-F594 PolarHBondContact OG-N 3.1Å; S564-E596 WeakPolarHBondContact CB-OE1 2.87Å; S564-E596 VanDerWaalsContact OG-CD 3.28Å; S564-E596 PolarHBondContact OG-OE1 2.85Å; S564-E596 PolarHBondContact OG-OE2 2.78Å; S564-E596 VanDerWaalsContact OG-OE2 3.06Å
565V92.8Very high88.3Confident0 Ų038.3 Ų38.30%018%0.183CC..Hα-helixtrans-68-46.5178177.20000110.8V560 N561 R562 R567 L568 L569 I579 F582 F648V560-V565 HydrophobicContact CB-CG2 4.3Å; V560-V565 HydrophobicContact CG2-CG2 4.16Å; N561-V565 PolarHBondContact O-N 3.02Å; N561-V565 VanDerWaalsContact O-N 3.09Å; R562-V565 PolarHBondContact O-N 2.87Å; V565-R567 VanDerWaalsContact C-N 3.34Å; V565-R567 PolarHBondContact O-N 3.49Å; V565-L568 PolarHBondContact O-N 2.85Å; V565-L568 VanDerWaalsContact O-N 3.16Å; V565-L569 HydrophobicContact CG1-CD1 3.6Å; V565-L569 HydrophobicContact CG1-CG 4.06Å; V565-L569 WeakPolarHBondContact O-CG 3.16Å; V565-L569 PolarHBondContact O-N 3.49Å; V565-I579 HydrophobicContact CB-CG1 4.17Å; V565-I579 HydrophobicContact CG1-CB 4.4Å; V565-I579 HydrophobicContact CG1-CG1 3.72Å; V565-I579 HydrophobicContact CG2-CG1 4.4Å; V565-I579 HydrophobicContact CG2-CG2 4.34Å; V565-F582 HydrophobicContact CG1-CD2 3.98Å; V565-F582 HydrophobicContact CG1-CE2 3.69Å; V565-F582 HydrophobicContact CG2-CD2 4.08Å; V565-F582 HydrophobicContact CG2-CE2 4.42Å; V565-F648 HydrophobicContact CB-CZ 4.31Å; V565-F648 HydrophobicContact CG2-CE1 3.64Å; V565-F648 HydrophobicContact CG2-CZ 3.61Å
566Q91Very high88.1Confident71 Ų7139.5 Ų39.533%0.33219%0.19SC..Hα-helixtrans-60.8-45.4179.5-175.3168.61.200110.6R562 L568 L569 E570 P576R562-Q566 WeakPolarHBondContact O-CB 3.13Å; R562-Q566 PolarHBondContact O-N 2.96Å; Q566-L568 VanDerWaalsContact C-N 3.31Å; Q566-L568 PolarHBondContact O-N 3.13Å; Q566-L569 PolarHBondContact O-N 2.99Å; Q566-E570 VanDerWaalsContact CG-CD 3.45Å; Q566-E570 HydrophobicContact CG-CG 3.85Å; Q566-E570 WeakPolarHBondContact CG-OE1 3.46Å; Q566-E570 PolarHBondContact NE2-OE1 2.8Å; Q566-E570 WeakPolarHBondContact O-CB 3.35Å; Q566-E570 VanDerWaalsContact O-CG 3.27Å; Q566-E570 WeakPolarHBondContact O-CG 3.45Å; Q566-E570 PolarHBondContact O-N 3.32Å; Q566-P576 HydrophobicContact CG-CB 4.3Å
567R87.9Confident87.8Confident94 Ų9442.9 Ų42.936%0.35521%0.206SC..Hα-helixtrans-52.2-49.7172.5-171.391.6-156-156.79.5112A563 V565 E571 P593 F594A563-R567 VanDerWaalsContact O-CB 3.31Å; A563-R567 WeakPolarHBondContact O-CB 3.32Å; A563-R567 PolarHBondContact O-N 2.49Å; V565-R567 VanDerWaalsContact C-N 3.34Å; V565-R567 PolarHBondContact O-N 3.49Å; R567-E571 IonicContact CZ-OE1 2.69Å; R567-E571 IonicContact NE-OE1 3.35Å; R567-E571 PolarHBondContact NE-OE1 2.73Å; R567-E571 VanDerWaalsContact NE-OE1 3.14Å; R567-E571 IonicContact NH2-OE1 2.74Å; R567-E571 WeakPolarHBondContact O-CG 3.44Å; R567-P593 HydrophobicContact CB-CB 4.25Å; R567-P593 HydrophobicContact CG-CB 4.47Å; R567-F594 HydrophobicContact CB-CE2 4.48Å; R567-F594 HydrophobicContact CG-CE2 4.09Å; R567-F594 HydrophobicContact CG-CZ 4.46Å
568L87.4Confident87.4Confident0 Ų043.3 Ų43.30%021%0.209CC..Hα-helixtrans-66.2-41.1-177.6177.872.3000112.2S564 V565 Q566 M572 F582 H637 L638 L641 F648S564-L568 WeakPolarHBondContact O-CB 3.32Å; S564-L568 PolarHBondContact O-N 2.95Å; S564-L568 VanDerWaalsContact O-N 3.14Å; V565-L568 PolarHBondContact O-N 2.85Å; V565-L568 VanDerWaalsContact O-N 3.16Å; Q566-L568 VanDerWaalsContact C-N 3.31Å; Q566-L568 PolarHBondContact O-N 3.13Å; L568-M572 WeakPolarHBondContact O-CG 3.44Å; L568-F582 HydrophobicContact CD2-CE1 3.45Å; L568-F582 VanDerWaalsContact CD2-CE1 3.45Å; L568-F582 HydrophobicContact CD2-CE2 4.29Å; L568-F582 HydrophobicContact CD2-CZ 3.29Å; L568-F582 HydrophobicContact CG-CZ 4.39Å; L568-H637 HydrophobicContact CD1-CB 4.31Å; L568-H637 PolarHBondContact O-CD2 3.28Å; L568-L638 HydrophobicContact CD1-CB 4.48Å; L568-L641 HydrophobicContact CD1-CD1 3.44Å; L568-L641 VanDerWaalsContact CD1-CD1 3.44Å; L568-F648 HydrophobicContact CB-CE2 4.37Å; L568-F648 HydrophobicContact CD2-CD2 4Å; L568-F648 HydrophobicContact CD2-CE2 3.78Å; L568-F648 HydrophobicContact CD2-CZ 4.21Å
569L85.9Confident87.2Confident0 Ų043.1 Ų43.10%021%0.208CC..Hα-helixtrans-85.1-33.8-175.2-65-178.5000113.6V565 Q566 E571 M572 Q573 E574 D575 L578 F582V565-L569 HydrophobicContact CG1-CD1 3.6Å; V565-L569 HydrophobicContact CG1-CG 4.06Å; V565-L569 WeakPolarHBondContact O-CG 3.16Å; V565-L569 PolarHBondContact O-N 3.49Å; Q566-L569 PolarHBondContact O-N 2.99Å; L569-E571 VanDerWaalsContact C-N 3.34Å; L569-E571 PolarHBondContact O-N 2.86Å; L569-M572 CarbonylContact O-C 3.54Å; L569-M572 WeakPolarHBondContact O-CA 3.43Å; L569-M572 WeakPolarHBondContact O-CB 3.04Å; L569-M572 PolarHBondContact O-N 3.23Å; L569-Q573 PolarHBondContact O-N 2.88Å; L569-Q573 VanDerWaalsContact O-N 3.08Å; L569-E574 HydrophobicContact CB-CB 4.21Å; L569-E574 HydrophobicContact CD2-CB 4.02Å; L569-E574 PolarHBondContact O-N 2.89Å; L569-D575 WeakPolarHBondContact CD1-O 2.98Å; L569-L578 HydrophobicContact CD1-CB 4.22Å; L569-F582 HydrophobicContact CD1-CE2 4.21Å; L569-F582 HydrophobicContact CD2-CE2 4.23Å; L569-F582 HydrophobicContact CD2-CZ 4.16Å; L569-F582 HydrophobicContact CG-CE2 4.3Å
570E84.2Confident86.9Confident104 Ų10444 Ų4449%0.48622%0.215SC..Hα-helixtrans-61.8-42.2176.1-79.5-179.2170.200111.6Q566 M572 Q573 P576Q566-E570 VanDerWaalsContact CG-CD 3.45Å; Q566-E570 HydrophobicContact CG-CG 3.85Å; Q566-E570 WeakPolarHBondContact CG-OE1 3.46Å; Q566-E570 PolarHBondContact NE2-OE1 2.8Å; Q566-E570 WeakPolarHBondContact O-CB 3.35Å; Q566-E570 VanDerWaalsContact O-CG 3.27Å; Q566-E570 WeakPolarHBondContact O-CG 3.45Å; Q566-E570 PolarHBondContact O-N 3.32Å; E570-M572 PolarHBondContact O-N 3.3Å; E570-M572 VanDerWaalsContact O-N 3.09Å; E570-Q573 PolarHBondContact O-N 2.86Å; E570-P576 HydrophobicContact CG-CG 4.44Å
571E78.6Confident86.7Confident76 Ų7644.1 Ų44.136%0.35522%0.215SC..THydrogen-bonded Turntrans-61.5-19.7176.1-72.4177.1-171.700112.2R567 L569 H637R567-E571 IonicContact CZ-OE1 2.69Å; R567-E571 IonicContact NE-OE1 3.35Å; R567-E571 PolarHBondContact NE-OE1 2.73Å; R567-E571 VanDerWaalsContact NE-OE1 3.14Å; R567-E571 IonicContact NH2-OE1 2.74Å; R567-E571 WeakPolarHBondContact O-CG 3.44Å; L569-E571 VanDerWaalsContact C-N 3.34Å; L569-E571 PolarHBondContact O-N 2.86Å; E571-H637 VanDerWaalsContact CB-NE2 3.29Å; E571-H637 WeakPolarHBondContact CB-NE2 3.33Å; E571-H637 IonicContact OE2-CD2 3.15Å; E571-H637 IonicContact OE2-CE1 2.63Å; E571-H637 PolarHBondContact OE2-CE1 2.8Å; E571-H637 VanDerWaalsContact OE2-CE1 3.29Å; E571-H637 IonicContact OE2-NE2 3.41Å; E571-H637 PolarHBondContact OE2-NE2 3.44Å
572M78.9Confident86.5Confident35 Ų3544.1 Ų44.117%0.17222%0.215CC..THydrogen-bonded Turntrans-101.9-3.3177.2-62.9-177.551.800114.9L568 L569 E570 E574 T631 E633 V634 H637L568-M572 WeakPolarHBondContact O-CG 3.44Å; L569-M572 CarbonylContact O-C 3.54Å; L569-M572 WeakPolarHBondContact O-CA 3.43Å; L569-M572 WeakPolarHBondContact O-CB 3.04Å; L569-M572 PolarHBondContact O-N 3.23Å; E570-M572 PolarHBondContact O-N 3.3Å; E570-M572 VanDerWaalsContact O-N 3.09Å; M572-E574 HydrophobicContact CB-CB 4.48Å; M572-E574 HydrophobicContact CB-CG 4.08Å; M572-E574 HydrophobicContact CE-CG 4.09Å; M572-E574 PolarHBondContact O-N 3.17Å; M572-T631 HydrophobicContact CE-CG2 4.39Å; M572-E633 HydrophobicContact CE-CB 3.45Å; M572-E633 VanDerWaalsContact CE-CB 3.45Å; M572-V634 VanDerWaalsContact CE-CA 3.49Å; M572-V634 HydrophobicContact CE-CB 4.1Å; M572-V634 HydrophobicContact CE-CG2 3.5Å; M572-V634 VanDerWaalsContact CE-N 3.28Å; M572-V634 VanDerWaalsContact SD-CA 3.56Å; M572-V634 HydrophobicContact SD-CB 4.3Å; M572-V634 HydrophobicContact SD-CG2 4.13Å; M572-H637 HydrophobicContact CG-CB 3.93Å; M572-H637 HydrophobicContact SD-CB 3.59Å; M572-H637 VanDerWaalsContact SD-CB 3.59Å
573Q82.7Confident86.3Confident188 Ų18844.2 Ų44.288%0.87922%0.215SC*.THydrogen-bonded Turntrans5829-171.9-51.8172.717.900113.4L569 E570L569-Q573 PolarHBondContact O-N 2.88Å; L569-Q573 VanDerWaalsContact O-N 3.08Å; E570-Q573 PolarHBondContact O-N 2.86Å
574E80.2Confident86.4Confident49 Ų4943 Ų4323%0.22921%0.205CC..  trans-90.6157.5172.6-74.1-85.6129.400110.2L569 M572 P576 R581L569-E574 HydrophobicContact CB-CB 4.21Å; L569-E574 HydrophobicContact CD2-CB 4.02Å; L569-E574 PolarHBondContact O-N 2.89Å; M572-E574 HydrophobicContact CB-CB 4.48Å; M572-E574 HydrophobicContact CB-CG 4.08Å; M572-E574 HydrophobicContact CE-CG 4.09Å; M572-E574 PolarHBondContact O-N 3.17Å; E574-P576 VanDerWaalsContact O-CD 3.23Å; E574-P576 WeakPolarHBondContact O-CD 3.21Å; E574-R581 IonicContact OE2-CZ 3.95Å; E574-R581 IonicContact OE2-NH1 3.81Å; E574-R581 PolarHBondContact OE2-NH1 3.16Å
575D81.2Confident86.6Confident89 Ų8943 Ų4348%0.47621%0.205SC..  trans-62.5116.9177.3-178.2-3.4000110.7L569 E577 L578L569-D575 WeakPolarHBondContact CD1-O 2.98Å; D575-E577 PolarHBondContact O-N 3.19Å; D575-E577 VanDerWaalsContact O-N 3.09Å; D575-E577 WeakPolarHBondContact OD1-CB 3.27Å; D575-E577 PolarHBondContact OD1-N 3.19Å; D575-L578 HydrophobicContact CB-CD1 4.02Å; D575-L578 HydrophobicContact CB-CG 4.09Å; D575-L578 WeakPolarHBondContact O-CB 3.34Å; D575-L578 PolarHBondContact O-N 3.41Å
576P74.8Confident86.8Confident38 Ų3843 Ų4325%0.24721%0.205CC..THydrogen-bonded Turntrans-58.2-21.4178.3-23.634.4000114Q566 E570 E574 L578 I579Q566-P576 HydrophobicContact CG-CB 4.3Å; E570-P576 HydrophobicContact CG-CG 4.44Å; E574-P576 VanDerWaalsContact O-CD 3.23Å; E574-P576 WeakPolarHBondContact O-CD 3.21Å; P576-L578 PolarHBondContact O-N 2.81Å; P576-I579 WeakPolarHBondContact O-CG1 3.42Å
577E80.1Confident87.1Confident91 Ų9139.6 Ų39.643%0.42519%0.189SC..THydrogen-bonded Turntrans-75.4-7.2177.5-69.4-58.3130.900113.5K443 R562 D575 I579K443-E577 IonicContact NZ-OE2 3.51Å; K443-E577 PolarHBondContact NZ-OE2 2.71Å; R562-E577 IonicContact CZ-OE1 3.93Å; R562-E577 IonicContact NH1-OE1 3.75Å; R562-E577 PolarHBondContact NH1-OE1 2.88Å; R562-E577 IonicContact NH2-OE1 3.19Å; R562-E577 PolarHBondContact NH2-OE1 3.23Å; R562-E577 IonicContact NH2-OE2 3.59Å; R562-E577 PolarHBondContact NH2-OE2 2.75Å; D575-E577 PolarHBondContact O-N 3.19Å; D575-E577 VanDerWaalsContact O-N 3.09Å; D575-E577 WeakPolarHBondContact OD1-CB 3.27Å; D575-E577 PolarHBondContact OD1-N 3.19Å; E577-I579 PolarHBondContact O-N 2.75Å
578L84.7Confident87.5Confident12 Ų1235.1 Ų35.16%0.06317%0.172CC..G310 helixtrans-72.225.9174.1-69.1170.4000114L569 D575 P576 A580 R581L569-L578 HydrophobicContact CD1-CB 4.22Å; D575-L578 HydrophobicContact CB-CD1 4.02Å; D575-L578 HydrophobicContact CB-CG 4.09Å; D575-L578 WeakPolarHBondContact O-CB 3.34Å; D575-L578 PolarHBondContact O-N 3.41Å; P576-L578 PolarHBondContact O-N 2.81Å; L578-A580 PolarHBondContact O-N 3.47Å; L578-A580 VanDerWaalsContact O-N 3.11Å; L578-R581 WeakPolarHBondContact O-CB 3.45Å; L578-R581 VanDerWaalsContact O-CG 3.26Å; L578-R581 WeakPolarHBondContact O-CG 3.47Å; L578-R581 PolarHBondContact O-N 2.92Å
579I91.9Very high87.9Confident1 Ų139 Ų391%0.00519%0.191CC..G310 helixtrans-50-38174.7-61.9176.6000111.5F445 V560 R562 V565 P576 E577 R581 F582 P584 V587F445-I579 HydrophobicContact CE2-CG2 4.38Å; V560-I579 HydrophobicContact CG2-CG2 4.04Å; R562-I579 HydrophobicContact CG-CD1 4.39Å; V565-I579 HydrophobicContact CB-CG1 4.17Å; V565-I579 HydrophobicContact CG1-CB 4.4Å; V565-I579 HydrophobicContact CG1-CG1 3.72Å; V565-I579 HydrophobicContact CG2-CG1 4.4Å; V565-I579 HydrophobicContact CG2-CG2 4.34Å; P576-I579 WeakPolarHBondContact O-CG1 3.42Å; E577-I579 PolarHBondContact O-N 2.75Å; I579-R581 PolarHBondContact O-N 3.24Å; I579-F582 PolarHBondContact O-N 3.37Å; I579-P584 HydrophobicContact CG2-CG 3.89Å; I579-P584 WeakPolarHBondContact O-CD 3.2Å; I579-V587 HydrophobicContact CD1-CG1 4.17Å; I579-V587 HydrophobicContact CG2-CG1 4.26Å; I579-V587 HydrophobicContact CG2-CG2 3.71Å
580A90.4Very high88.1Confident18 Ų1841.2 Ų41.215%0.14921%0.213CC..G310 helixtrans-57.7-22.1179.700000113.9F445 P454 L578 F582 R583 P625F445-A580 HydrophobicContact CZ-CB 4.33Å; P454-A580 HydrophobicContact CG-CB 3.83Å; L578-A580 PolarHBondContact O-N 3.47Å; L578-A580 VanDerWaalsContact O-N 3.11Å; A580-F582 PolarHBondContact O-N 2.88Å; A580-R583 WeakPolarHBondContact O-CA 3.33Å; A580-R583 PolarHBondContact O-N 3.24Å; A580-P625 HydrophobicContact CB-CG 4.41Å
581R90.8Very high88.4Confident3 Ų336.4 Ų36.41%0.01119%0.191CC..G310 helixtrans-64-30.6176.189.5-172.6-51.3161.611.6112.4E574 L578 I579 R583 I621 A622 P625E574-R581 IonicContact OE2-CZ 3.95Å; E574-R581 IonicContact OE2-NH1 3.81Å; E574-R581 PolarHBondContact OE2-NH1 3.16Å; L578-R581 WeakPolarHBondContact O-CB 3.45Å; L578-R581 VanDerWaalsContact O-CG 3.26Å; L578-R581 WeakPolarHBondContact O-CG 3.47Å; L578-R581 PolarHBondContact O-N 2.92Å; I579-R581 PolarHBondContact O-N 3.24Å; R581-R583 PolarHBondContact O-N 3.29Å; R581-I621 PolarHBondContact NE-O 3.42Å; R581-I621 PolarHBondContact NH2-O 2.49Å; R581-A622 PolarHBondContact NH2-O 3.05Å; R581-P625 HydrophobicContact CB-CG 4.37Å
582F91.7Very high89Confident0 Ų036.4 Ų36.40%019%0.191CC..G310 helixtrans-77.62.2174.8-58.5-76.5000112.3L558 V565 L568 L569 I579 A580 P584 R617 I621 V634 F648L558-F582 VanDerWaalsContact CD2-O 3.3Å; L558-F582 WeakPolarHBondContact CD2-O 3.31Å; V565-F582 HydrophobicContact CG1-CD2 3.98Å; V565-F582 HydrophobicContact CG1-CE2 3.69Å; V565-F582 HydrophobicContact CG2-CD2 4.08Å; V565-F582 HydrophobicContact CG2-CE2 4.42Å; L568-F582 HydrophobicContact CD2-CE1 3.45Å; L568-F582 VanDerWaalsContact CD2-CE1 3.45Å; L568-F582 HydrophobicContact CD2-CE2 4.29Å; L568-F582 HydrophobicContact CD2-CZ 3.29Å; L568-F582 HydrophobicContact CG-CZ 4.39Å; L569-F582 HydrophobicContact CD1-CE2 4.21Å; L569-F582 HydrophobicContact CD2-CE2 4.23Å; L569-F582 HydrophobicContact CD2-CZ 4.16Å; L569-F582 HydrophobicContact CG-CE2 4.3Å; I579-F582 PolarHBondContact O-N 3.37Å; A580-F582 PolarHBondContact O-N 2.88Å; F582-P584 VanDerWaalsContact C-N 3.3Å; F582-R617 PolarHBondContact O-NH1 3.31Å; F582-R617 PolarHBondContact O-NH2 3.03Å; F582-I621 HydrophobicContact CD1-CG2 4.26Å; F582-I621 HydrophobicContact CE1-CD1 4.2Å; F582-V634 HydrophobicContact CE1-CG1 4.21Å; F582-V634 HydrophobicContact CZ-CG1 4.1Å; F582-F648 HydrophobicContact CB-CD1 4.22Å; F582-F648 HydrophobicContact CB-CE1 4.28Å; F582-F648 AromaticContact CD1-CD1 3.54Å; F582-F648 HydrophobicContact CD1-CD1 3.54Å; F582-F648 AromaticContact CD1-CE1 3.85Å; F582-F648 HydrophobicContact CD1-CE1 3.85Å; F582-F648 HydrophobicContact CD1-CG 4.21Å; F582-F648 HydrophobicContact CD2-CE1 4.2Å; F582-F648 HydrophobicContact CE1-CD1 4.12Å; F582-F648 HydrophobicContact CE1-CE1 4.29Å; F582-F648 HydrophobicContact CE1-CG 4.47Å; F582-F648 AromaticContact CG-CD1 3.88Å; F582-F648 HydrophobicContact CG-CD1 3.88Å; F582-F648 AromaticContact CG-CE1 3.81Å; F582-F648 HydrophobicContact CG-CE1 3.81Å
583R91.9Very high89.6Confident33 Ų3335.7 Ų35.713%0.12519%0.189CC..  trans49.838.1178.3-56.6-1716689.45.2115Y447 C452 A580 R581Y447-R583 HydrophobicContact CE1-CB 4.26Å; Y447-R583 HydrophobicContact CE1-CG 4.36Å; Y447-R583 WeakPolarHBondContact OH-CA 3.32Å; C452-R583 PolarHBondContact O-NH1 3.23Å; C452-R583 PolarHBondContact O-NH2 3.13Å; A580-R583 WeakPolarHBondContact O-CA 3.33Å; A580-R583 PolarHBondContact O-N 3.24Å; R581-R583 PolarHBondContact O-N 3.29Å
584P95.2Very high90Very high0 Ų028.9 Ų28.90%016%0.157CC..  trans-71.8148.8-179.233.2-34.8000110.7F445 Y447 V560 I579 F582 V587F445-P584 VanDerWaalsContact CB-O 3.31Å; F445-P584 WeakPolarHBondContact CB-O 3.29Å; F445-P584 HydrophobicContact CD2-CG 4.01Å; F445-P584 HydrophobicContact CE2-CG 4.33Å; Y447-P584 VanDerWaalsContact CE2-O 3.25Å; Y447-P584 WeakPolarHBondContact CE2-O 3.42Å; Y447-P584 PolarHBondContact OH-O 3.39Å; Y447-P584 VanDerWaalsContact OH-O 3.06Å; V560-P584 HydrophobicContact CB-CB 4.24Å; V560-P584 HydrophobicContact CG1-CB 3.91Å; V560-P584 HydrophobicContact CG2-CB 3.46Å; V560-P584 VanDerWaalsContact CG2-CB 3.46Å; V560-P584 HydrophobicContact CG2-CG 3.65Å; I579-P584 HydrophobicContact CG2-CG 3.89Å; I579-P584 WeakPolarHBondContact O-CD 3.2Å; F582-P584 VanDerWaalsContact C-N 3.3Å; P584-V587 HydrophobicContact CB-CG2 4.33Å; P584-V587 HydrophobicContact CG-CG2 3.84Å
585N95.9Very high90.4Very high0 Ų027 Ų270%015%0.148CC..SBendtrans-84.2-35165.4-68.2108.8000111.4I444 F445 L468 D471 Y557 L558I444-N585 WeakPolarHBondContact CA-O 3.38Å; F445-N585 PolarHBondContact N-O 3.49Å; F445-N585 WeakPolarHBondContact O-CA 3.45Å; F445-N585 PolarHBondContact O-ND2 2.76Å; L468-N585 HydrophobicContact CD1-CB 3.91Å; D471-N585 PolarHBondContact OD2-ND2 3.46Å; Y557-N585 HydrophobicContact CD1-CB 4.4Å; L558-N585 PolarHBondContact N-OD1 3.37Å; L558-N585 VanDerWaalsContact N-OD1 3.17Å; L558-N585 PolarHBondContact O-N 2.93Å
586L97.3Very high90.9Very high0 Ų022.8 Ų22.80%013%0.125CC..EExtended strand (participates in β ladder)trans-127.4131.3-175.5-55.4174.9000109.3L441 I444 Y557 L558 M559 V560 I604 L652 L665L441-L586 HydrophobicContact CD1-CB 4.06Å; L441-L586 HydrophobicContact CD1-CD2 4.12Å; I444-L586 HydrophobicContact CG1-CD2 4.07Å; I444-L586 HydrophobicContact CG2-CD2 4.45Å; Y557-L586 HydrophobicContact CD1-CD1 4.37Å; L558-L586 PolarHBondContact O-N 2.77Å; M559-L586 VanDerWaalsContact CA-O 3.28Å; M559-L586 WeakPolarHBondContact CA-O 3.46Å; M559-L586 HydrophobicContact CB-CB 4.29Å; M559-L586 HydrophobicContact CG-CB 4.09Å; V560-L586 PolarHBondContact N-O 3.37Å; L586-I604 HydrophobicContact CD1-CD1 3.83Å; L586-L652 HydrophobicContact CD1-CD1 4.14Å; L586-L665 HydrophobicContact CD1-CD1 4.36Å; L586-L665 HydrophobicContact CD2-CD1 3.81Å
587V97.5Very high91.7Very high0 Ų023.1 Ų23.10%012%0.124CC..EExtended strand (participates in β ladder)trans-117.3126.3174.4-174.10000108.2E442 K443 F445 V560 R562 I579 P584E442-V587 PolarHBondContact N-O 2.78Å; E442-V587 WeakPolarHBondContact OE2-CG1 3.32Å; K443-V587 HydrophobicContact CB-CB 3.94Å; K443-V587 HydrophobicContact CB-CG2 3.98Å; K443-V587 PolarHBondContact N-O 3.39Å; K443-V587 PolarHBondContact O-N 3.48Å; F445-V587 HydrophobicContact CD2-CG2 4.11Å; F445-V587 HydrophobicContact CE2-CG2 3.86Å; V560-V587 HydrophobicContact CG2-CB 4.5Å; V560-V587 HydrophobicContact CG2-CG1 4.35Å; V560-V587 HydrophobicContact CG2-CG2 4.02Å; V560-V587 WeakPolarHBondContact O-CA 3.38Å; R562-V587 HydrophobicContact CB-CG1 4.23Å; I579-V587 HydrophobicContact CD1-CG1 4.17Å; I579-V587 HydrophobicContact CG2-CG1 4.26Å; I579-V587 HydrophobicContact CG2-CG2 3.71Å; P584-V587 HydrophobicContact CB-CG2 4.33Å; P584-V587 HydrophobicContact CG-CG2 3.84Å
588I97.1Very high92.1Very high0 Ų021.3 Ų21.30%012%0.119CC..EExtended strand (participates in β ladder)trans-107.2154.4177.866.1170.1000111.2K440 M559 V560 N561 R562 A591 E596 W599 V671K440-I588 CarbonylContact O-C 3.18Å; K440-I588 VanDerWaalsContact O-CA 3.32Å; K440-I588 WeakPolarHBondContact O-CA 2.78Å; M559-I588 HydrophobicContact CE-CD1 3.99Å; M559-I588 HydrophobicContact CG-CG2 4Å; M559-I588 HydrophobicContact SD-CD1 4.23Å; M559-I588 HydrophobicContact SD-CG2 3.52Å; M559-I588 VanDerWaalsContact SD-CG2 3.52Å; V560-I588 PolarHBondContact O-N 3.44Å; N561-I588 HydrophobicContact CB-CD1 4.25Å; N561-I588 HydrophobicContact CB-CG1 3.93Å; N561-I588 PolarHBondContact OD1-O 2.88Å; R562-I588 WeakPolarHBondContact CB-O 2.94Å; R562-I588 PolarHBondContact N-O 3.47Å; I588-A591 HydrophobicContact CD1-CB 4.44Å; I588-E596 HydrophobicContact CD1-CB 4.29Å; I588-W599 HydrophobicContact CD1-CH2 3.48Å; I588-W599 VanDerWaalsContact CD1-CH2 3.48Å; I588-W599 HydrophobicContact CD1-CZ3 3.47Å; I588-W599 VanDerWaalsContact CD1-CZ3 3.47Å; I588-V671 HydrophobicContact CG2-CG1 4.12Å; I588-V671 HydrophobicContact CG2-CG2 4.13Å
589E95.1Very high92.4Very high83 Ų8321 Ų2139%0.38812%0.117SC..EExtended strand (participates in β ladder)trans-128.4144.5178.1-177.8-173.2-164.900110.6F439 K440 E442F439-E589 WeakPolarHBondContact CB-O 3.27Å; K440-E589 PolarHBondContact N-O 3.45Å; K440-E589 PolarHBondContact O-N 2.87Å; E442-E589 HydrophobicContact CB-CB 3.92Å; E442-E589 HydrophobicContact CG-CB 4.13Å
590G89.7Confident92.4Very high45 Ų4525.8 Ų25.846%0.46414%0.142SC..SBendtrans105.1-12.1170.800000115.4F439F439-G590 WeakPolarHBondContact CD1-O 3.23Å
591A91.1Very high92.4Very high4 Ų427.1 Ų27.13%0.03315%0.146CC..SBendtrans-82.3149.817300000110.9F439 N561 A563 I588 E595 W599F439-A591 HydrophobicContact CD1-CB 3.87Å; F439-A591 VanDerWaalsContact CE1-CA 3.48Å; F439-A591 HydrophobicContact CE1-CB 3.76Å; F439-A591 HydrophobicContact CE2-CB 4.47Å; F439-A591 HydrophobicContact CG-CB 4.25Å; F439-A591 HydrophobicContact CZ-CB 4.07Å; N561-A591 PolarHBondContact ND2-O 2.98Å; N561-A591 VanDerWaalsContact ND2-O 3.13Å; A563-A591 WeakPolarHBondContact CB-O 3.29Å; I588-A591 HydrophobicContact CD1-CB 4.44Å; A591-E595 HydrophobicContact CB-CB 4.33Å; A591-W599 HydrophobicContact CB-CH2 4.16Å; A591-W599 HydrophobicContact CB-CZ2 4.13Å
592E91.9Very high92.5Very high75 Ų7527 Ų2735%0.3515%0.145SC..PPolyproline II helixtrans-64.7152.5175.4-60.2-55.8141.600110.6F427 R437 N561 F594 E595F427-E592 HydrophobicContact CE1-CB 4.41Å; R437-E592 IonicContact CZ-OE1 3.72Å; R437-E592 IonicContact NH1-OE1 2.72Å; R437-E592 IonicContact NH2-OE1 3.49Å; R437-E592 PolarHBondContact NH2-OE1 2.87Å; N561-E592 PolarHBondContact ND2-O 3.14Å; E592-F594 PolarHBondContact O-N 3.29Å; E592-E595 HydrophobicContact CB-CB 4.3Å; E592-E595 PolarHBondContact N-OE2 3.39Å; E592-E595 WeakPolarHBondContact O-CB 3.46Å; E592-E595 PolarHBondContact O-N 2.72Å
593P90.6Very high92.5Very high20 Ų2031.1 Ų31.113%0.1316%0.163CC..THydrogen-bonded Turntrans-50.6126.8177-26.333.4000112.3A563 R567 E595A563-P593 HydrophobicContact CB-CG 3.95Å; R567-P593 HydrophobicContact CB-CB 4.25Å; R567-P593 HydrophobicContact CG-CB 4.47Å; P593-E595 PolarHBondContact O-N 3.47Å
594F90.1Very high92.5Very high45 Ų4529.6 Ų29.620%0.19716%0.157CC..THydrogen-bonded Turntrans67.35.4-179.8-45-77.5000116.1S564 R567 E592 E596 E597 L641 F648S564-F594 WeakPolarHBondContact OG-CA 3.32Å; S564-F594 PolarHBondContact OG-N 3.1Å; R567-F594 HydrophobicContact CB-CE2 4.48Å; R567-F594 HydrophobicContact CG-CE2 4.09Å; R567-F594 HydrophobicContact CG-CZ 4.46Å; E592-F594 PolarHBondContact O-N 3.29Å; F594-E596 VanDerWaalsContact C-OE2 3.28Å; F594-E596 VanDerWaalsContact CA-OE2 3.3Å; F594-E596 WeakPolarHBondContact CA-OE2 3.04Å; F594-E596 PolarHBondContact N-OE2 3.44Å; F594-E596 PolarHBondContact O-N 2.83Å; F594-E597 HydrophobicContact CB-CG 4.49Å; F594-E597 WeakPolarHBondContact O-CB 3.28Å; F594-E597 PolarHBondContact O-N 3.14Å; F594-E597 VanDerWaalsContact O-N 3.12Å; F594-L641 HydrophobicContact CZ-CD1 4.13Å; F594-F648 HydrophobicContact CE1-CD2 4.36Å; F594-F648 AromaticContact CE1-CE2 3.96Å; F594-F648 HydrophobicContact CE1-CE2 3.96Å
595E90.2Very high92.2Very high10 Ų1030.4 Ų30.45%0.04717%0.166CC..G310 helixtrans-57.2-36.3176.1-173.1-177.4158.500111.7F439 A591 E592 P593 E597 T598 W599F439-E595 WeakPolarHBondContact CZ-OE1 3.44Å; A591-E595 HydrophobicContact CB-CB 4.33Å; E592-E595 HydrophobicContact CB-CB 4.3Å; E592-E595 PolarHBondContact N-OE2 3.39Å; E592-E595 WeakPolarHBondContact O-CB 3.46Å; E592-E595 PolarHBondContact O-N 2.72Å; P593-E595 PolarHBondContact O-N 3.47Å; E595-E597 PolarHBondContact O-N 3.24Å; E595-E597 VanDerWaalsContact O-N 3.08Å; E595-T598 PolarHBondContact O-N 3.42Å; E595-T598 PolarHBondContact O-OG1 3.33Å; E595-W599 HydrophobicContact CG-CZ2 4.3Å; E595-W599 PolarHBondContact O-NE1 2.98Å
596E91.9Very high91.7Very high0 Ų035.6 Ų35.60%020%0.202CC..G310 helixtrans-61-21.8-179.474.8-81.3-163.400113.6M559 N561 S564 I588 F594 T598 W599 I650M559-E596 HydrophobicContact CE-CB 4.19Å; N561-E596 HydrophobicContact CB-CB 4.49Å; N561-E596 HydrophobicContact CB-CG 4.11Å; N561-E596 WeakPolarHBondContact CB-OE1 3.48Å; N561-E596 WeakPolarHBondContact CB-OE2 3.47Å; N561-E596 PolarHBondContact ND2-OE2 3.49Å; S564-E596 WeakPolarHBondContact CB-OE1 2.87Å; S564-E596 VanDerWaalsContact OG-CD 3.28Å; S564-E596 PolarHBondContact OG-OE1 2.85Å; S564-E596 PolarHBondContact OG-OE2 2.78Å; S564-E596 VanDerWaalsContact OG-OE2 3.06Å; I588-E596 HydrophobicContact CD1-CB 4.29Å; F594-E596 VanDerWaalsContact C-OE2 3.28Å; F594-E596 VanDerWaalsContact CA-OE2 3.3Å; F594-E596 WeakPolarHBondContact CA-OE2 3.04Å; F594-E596 PolarHBondContact N-OE2 3.44Å; F594-E596 PolarHBondContact O-N 2.83Å; E596-T598 PolarHBondContact O-N 3.46Å; E596-W599 HydrophobicContact CB-CD2 4.39Å; E596-W599 HydrophobicContact CB-CE3 4.05Å; E596-W599 HydrophobicContact CB-CH2 4.46Å; E596-W599 HydrophobicContact CB-CZ3 4.13Å; E596-W599 PolarHBondContact O-N 2.95Å; E596-I650 HydrophobicContact CB-CD1 4.26Å; E596-I650 HydrophobicContact CG-CG1 4.46Å; E596-I650 WeakPolarHBondContact O-CD1 3.24Å
597E91Very high91.3Very high45 Ų4536.2 Ų36.221%0.2121%0.206CC..G310 helixtrans-73.9-11.8179.5-59.7-163.3163.800113.3F594 E595 K614 I650F594-E597 HydrophobicContact CB-CG 4.49Å; F594-E597 WeakPolarHBondContact O-CB 3.28Å; F594-E597 PolarHBondContact O-N 3.14Å; F594-E597 VanDerWaalsContact O-N 3.12Å; E595-E597 PolarHBondContact O-N 3.24Å; E595-E597 VanDerWaalsContact O-N 3.08Å; E597-K614 WeakPolarHBondContact OE2-CE 3.48Å; E597-K614 IonicContact OE2-NZ 3.49Å; E597-K614 PolarHBondContact OE2-NZ 3.4Å; E597-I650 HydrophobicContact CG-CG2 4.4Å
598T89.1Confident91Very high53 Ų5338.8 Ų38.833%0.32522%0.219SC..G310 helixtrans-92.9-13.7179.367.40000113.1E595 E596E595-T598 PolarHBondContact O-N 3.42Å; E595-T598 PolarHBondContact O-OG1 3.33Å; E596-T598 PolarHBondContact O-N 3.46Å
599W90.3Very high90.8Very high6 Ų638.8 Ų38.82%0.02322%0.219CC..  trans-78.2136.1-172.2-58.4-12.5000111.6F439 M559 I588 A591 E595 E596 V602 C611 V671 G673 I674F439-W599 AromaticContact CD2-CH2 3.6Å; F439-W599 HydrophobicContact CD2-CH2 3.6Å; F439-W599 AromaticContact CD2-CZ2 3.83Å; F439-W599 HydrophobicContact CD2-CZ2 3.83Å; F439-W599 AromaticContact CE2-CH2 3.67Å; F439-W599 HydrophobicContact CE2-CH2 3.67Å; F439-W599 AromaticContact CE2-CZ2 3.36Å; F439-W599 HydrophobicContact CE2-CZ2 3.36Å; F439-W599 HydrophobicContact CG-CH2 4.44Å; F439-W599 HydrophobicContact CZ-CZ2 4.02Å; M559-W599 HydrophobicContact CE-CE3 3.92Å; M559-W599 HydrophobicContact CE-CZ3 3.79Å; I588-W599 HydrophobicContact CD1-CH2 3.48Å; I588-W599 VanDerWaalsContact CD1-CH2 3.48Å; I588-W599 HydrophobicContact CD1-CZ3 3.47Å; I588-W599 VanDerWaalsContact CD1-CZ3 3.47Å; A591-W599 HydrophobicContact CB-CH2 4.16Å; A591-W599 HydrophobicContact CB-CZ2 4.13Å; E595-W599 HydrophobicContact CG-CZ2 4.3Å; E595-W599 PolarHBondContact O-NE1 2.98Å; E596-W599 HydrophobicContact CB-CD2 4.39Å; E596-W599 HydrophobicContact CB-CE3 4.05Å; E596-W599 HydrophobicContact CB-CH2 4.46Å; E596-W599 HydrophobicContact CB-CZ3 4.13Å; E596-W599 PolarHBondContact O-N 2.95Å; W599-V602 HydrophobicContact CB-CG2 4.41Å; W599-V602 HydrophobicContact CD2-CG2 4.49Å; W599-V602 HydrophobicContact CE3-CG2 3.56Å; W599-V602 HydrophobicContact CZ3-CG1 4.48Å; W599-V602 HydrophobicContact CZ3-CG2 4.23Å; W599-C611 WeakPolarHBondContact O-CB 3.49Å; W599-C611 PolarHBondContact O-SG 3.22Å; W599-V671 HydrophobicContact CZ3-CG1 4.35Å; W599-G673 VanDerWaalsContact CD2-CA 3.44Å; W599-I674 CarbonylContact C-O 3.55Å
600N91.1Very high90.7Very high101 Ų10137 Ų3754%0.5421%0.212SC..SBendtrans-89.1-33.7172.4-77.5-31.2000112.1C611 I674 V675N600-C611 WeakPolarHBondContact O-CB 3.3Å; N600-C611 PolarHBondContact O-N 3.47Å; N600-I674 PolarHBondContact N-O 2.67Å; N600-V675 PolarHBondContact ND2-OXT 3.27Å
601Q91.3Very high90.8Very high46 Ų4636 Ų3622%0.21520%0.199CC..EExtended strand (participates in β ladder)trans-138.5157.4173.8-63.6-174.3-43.500111.2L608 F609 N610 E655 I674Q601-L608 HydrophobicContact CB-CD1 4.32Å; Q601-F609 CarbonylContact C-O 3.54Å; Q601-F609 VanDerWaalsContact CA-O 3.22Å; Q601-F609 WeakPolarHBondContact CA-O 3.11Å; Q601-F609 WeakPolarHBondContact CB-O 3.46Å; Q601-N610 WeakPolarHBondContact CG-OD1 3.43Å; Q601-N610 PolarHBondContact NE2-OD1 2.93Å; Q601-E655 PolarHBondContact NE2-OE1 3.19Å; Q601-I674 HydrophobicContact CB-CB 4.05Å; Q601-I674 HydrophobicContact CB-CD1 4.03Å; Q601-I674 PolarHBondContact N-O 3.39Å; Q601-I674 PolarHBondContact O-N 3.46Å
602V92.6Very high90.9Very high0 Ų040 Ų400%022%0.218CC..EExtended strand (participates in β ladder)trans-133.7125.9176.5-176.30000109.3M559 W599 I604 F609 I650 L652 V671 Y672M559-V602 HydrophobicContact CE-CG1 4.4Å; M559-V602 HydrophobicContact CE-CG2 3.94Å; M559-V602 HydrophobicContact SD-CG1 4.21Å; W599-V602 HydrophobicContact CB-CG2 4.41Å; W599-V602 HydrophobicContact CD2-CG2 4.49Å; W599-V602 HydrophobicContact CE3-CG2 3.56Å; W599-V602 HydrophobicContact CZ3-CG1 4.48Å; W599-V602 HydrophobicContact CZ3-CG2 4.23Å; V602-I604 HydrophobicContact CG1-CD1 4.27Å; V602-I604 HydrophobicContact CG1-CG1 3.82Å; V602-F609 PolarHBondContact N-O 3.15Å; V602-F609 WeakPolarHBondContact O-CB 3.25Å; V602-F609 WeakPolarHBondContact O-CD2 3.29Å; V602-F609 PolarHBondContact O-N 2.93Å; V602-I650 HydrophobicContact CG2-CD1 4.43Å; V602-L652 HydrophobicContact CB-CD2 4.43Å; V602-L652 HydrophobicContact CG2-CD2 4.04Å; V602-V671 HydrophobicContact CG1-CG1 3.84Å; V602-Y672 WeakPolarHBondContact CA-O 3.37Å
603K91.2Very high90.8Very high88 Ų8838.1 Ų38.138%0.38322%0.219SC..EExtended strand (participates in β ladder)trans-101.8125.7169.8-168.3178177.8177.10109.8G605 T607 L608 V671 Y672K603-G605 VanDerWaalsContact CE-O 3.27Å; K603-G605 WeakPolarHBondContact CE-O 3.42Å; K603-T607 CarbonylContact C-O 3.55Å; K603-T607 WeakPolarHBondContact CA-O 3.25Å; K603-L608 HydrophobicContact CB-CD1 3.87Å; K603-L608 HydrophobicContact CG-CD1 4.39Å; K603-V671 CarbonylContact O-C 3.57Å; K603-V671 VanDerWaalsContact O-CA 3.29Å; K603-V671 WeakPolarHBondContact O-CA 3.45Å; K603-Y672 HydrophobicContact CB-CD2 4.22Å; K603-Y672 HydrophobicContact CD-CD2 4.47Å; K603-Y672 PolarHBondContact N-O 2.96Å; K603-Y672 PolarHBondContact O-N 3.08Å
604I92.9Very high90.9Very high0 Ų041.5 Ų41.50%023%0.232CC..EExtended strand (participates in β ladder)trans-121.3111.4176.1-50.4-174.8000108.4L441 L586 V602 S606 T607 F609 L665 D669 P670 V671L441-I604 HydrophobicContact CB-CG2 4.01Å; L441-I604 HydrophobicContact CD2-CG2 3.84Å; L441-I604 HydrophobicContact CG-CG2 4.42Å; L586-I604 HydrophobicContact CD1-CD1 3.83Å; V602-I604 HydrophobicContact CG1-CD1 4.27Å; V602-I604 HydrophobicContact CG1-CG1 3.82Å; I604-S606 PolarHBondContact O-N 3.18Å; I604-S606 VanDerWaalsContact O-N 3.13Å; I604-T607 PolarHBondContact N-O 2.86Å; I604-T607 PolarHBondContact O-N 3.04Å; I604-F609 HydrophobicContact CB-CE2 4.12Å; I604-F609 HydrophobicContact CD1-CD2 4.31Å; I604-F609 HydrophobicContact CD1-CE2 4.03Å; I604-F609 HydrophobicContact CG1-CD2 4.18Å; I604-F609 HydrophobicContact CG1-CE2 4.02Å; I604-L665 HydrophobicContact CB-CD2 4.23Å; I604-L665 HydrophobicContact CG2-CD2 4.04Å; I604-D669 HydrophobicContact CG2-CB 3.85Å; I604-P670 WeakPolarHBondContact CA-O 3.36Å; I604-V671 HydrophobicContact CB-CG2 4.42Å; I604-V671 HydrophobicContact CG1-CG1 4.48Å; I604-V671 HydrophobicContact CG1-CG2 4.07Å; I604-V671 HydrophobicContact CG2-CG2 4.02Å
605G88.1Confident90.9Very high17 Ų1739.5 Ų39.518%0.17522%0.224CC..THydrogen-bonded Turntrans58-116.6-170.900000110.5K603 P670K603-G605 VanDerWaalsContact CE-O 3.27Å; K603-G605 WeakPolarHBondContact CE-O 3.42Å; G605-P670 PolarHBondContact N-O 3.16Å
606S85.9Confident90.8Very high110 Ų11042.8 Ų42.877%0.76924%0.239SC*.THydrogen-bonded Turntrans-93.9-4.7175.159.10000114.4I604I604-S606 PolarHBondContact O-N 3.18Å; I604-S606 VanDerWaalsContact O-N 3.13Å
607T89.6Confident90.6Very high13 Ų1343.5 Ų43.58%0.0824%0.241CC..EExtended strand (participates in β ladder)trans-98.2132.9-171.4-49.80000110.8I463 K603 I604 F609 L654I463-T607 HydrophobicContact CD1-CG2 3.78Å; K603-T607 CarbonylContact C-O 3.55Å; K603-T607 WeakPolarHBondContact CA-O 3.25Å; I604-T607 PolarHBondContact N-O 2.86Å; I604-T607 PolarHBondContact O-N 3.04Å; T607-F609 HydrophobicContact CG2-CD2 4.26Å; T607-F609 HydrophobicContact CG2-CE1 4.17Å; T607-F609 HydrophobicContact CG2-CE2 3.49Å; T607-F609 VanDerWaalsContact CG2-CE2 3.49Å; T607-F609 HydrophobicContact CG2-CZ 3.44Å; T607-F609 VanDerWaalsContact CG2-CZ 3.44Å; T607-L654 HydrophobicContact CG2-CD2 3.78Å
608L90.3Very high90.1Very high53 Ų5344.3 Ų44.328%0.27725%0.252SS..EExtended strand (participates in β ladder)trans-109.5133.6179.5-169.253.6000111Q601 K603 E655 I674Q601-L608 HydrophobicContact CB-CD1 4.32Å; K603-L608 HydrophobicContact CB-CD1 3.87Å; K603-L608 HydrophobicContact CG-CD1 4.39Å; L608-E655 WeakPolarHBondContact CD2-OE2 3.37Å; L608-E655 WeakPolarHBondContact CG-OE2 3.39Å; L608-E655 PolarHBondContact O-N 2.76Å; L608-I674 HydrophobicContact CD1-CD1 4.11Å
609F92.5Very high89.7Confident0 Ų042.9 Ų42.90%025%0.245CC..EExtended strand (participates in β ladder)trans-124.8142.4-177.7-59.5-91.6000110.5Y557 Q601 V602 I604 T607 L652 K653 L654 L665Y557-F609 HydrophobicContact CD2-CD1 4.19Å; Y557-F609 AromaticContact CD2-CE1 3.9Å; Y557-F609 HydrophobicContact CD2-CE1 3.9Å; Y557-F609 HydrophobicContact CE2-CD1 4.26Å; Y557-F609 AromaticContact CE2-CE1 3.68Å; Y557-F609 HydrophobicContact CE2-CE1 3.68Å; Q601-F609 CarbonylContact C-O 3.54Å; Q601-F609 VanDerWaalsContact CA-O 3.22Å; Q601-F609 WeakPolarHBondContact CA-O 3.11Å; Q601-F609 WeakPolarHBondContact CB-O 3.46Å; V602-F609 PolarHBondContact N-O 3.15Å; V602-F609 WeakPolarHBondContact O-CB 3.25Å; V602-F609 WeakPolarHBondContact O-CD2 3.29Å; V602-F609 PolarHBondContact O-N 2.93Å; I604-F609 HydrophobicContact CB-CE2 4.12Å; I604-F609 HydrophobicContact CD1-CD2 4.31Å; I604-F609 HydrophobicContact CD1-CE2 4.03Å; I604-F609 HydrophobicContact CG1-CD2 4.18Å; I604-F609 HydrophobicContact CG1-CE2 4.02Å; T607-F609 HydrophobicContact CG2-CD2 4.26Å; T607-F609 HydrophobicContact CG2-CE1 4.17Å; T607-F609 HydrophobicContact CG2-CE2 3.49Å; T607-F609 VanDerWaalsContact CG2-CE2 3.49Å; T607-F609 HydrophobicContact CG2-CZ 3.44Å; T607-F609 VanDerWaalsContact CG2-CZ 3.44Å; F609-L652 HydrophobicContact CB-CB 4.13Å; F609-L652 HydrophobicContact CB-CD1 4.25Å; F609-L652 HydrophobicContact CB-CD2 4.25Å; F609-L652 HydrophobicContact CB-CG 4.46Å; F609-L652 HydrophobicContact CD1-CB 4.21Å; F609-L652 HydrophobicContact CG-CB 4.42Å; F609-L652 HydrophobicContact CG-CD1 4.29Å; F609-K653 CarbonylContact C-O 3.53Å; F609-K653 WeakPolarHBondContact CA-O 3.29Å; F609-L654 HydrophobicContact CD1-CG 4.24Å; F609-L654 HydrophobicContact CE1-CD1 4.45Å; F609-L654 HydrophobicContact CE1-CG 3.94Å; F609-L665 HydrophobicContact CE2-CD2 4.38Å; F609-L665 HydrophobicContact CZ-CD1 4.16Å; F609-L665 HydrophobicContact CZ-CD2 4.3Å
610N92.7Very high89.5Confident45 Ų4543.3 Ų43.324%0.24125%0.248CC..EExtended strand (participates in β ladder)trans-89.8133.9167.3-68.8-46.1000110.3Q601 I612 L652 K653Q601-N610 WeakPolarHBondContact CG-OD1 3.43Å; Q601-N610 PolarHBondContact NE2-OD1 2.93Å; N610-I612 HydrophobicContact CB-CG2 4.38Å; N610-L652 WeakPolarHBondContact O-CA 3.37Å; N610-K653 PolarHBondContact N-O 2.76Å; N610-K653 PolarHBondContact O-N 2.92Å
611C93.2Very high89.4Confident26 Ų2638.5 Ų38.518%0.17622%0.222CC..EExtended strand (participates in β ladder)trans-79.3116.7167.5-63.30000109W599 N600 I650 Y651 L652W599-C611 WeakPolarHBondContact O-CB 3.49Å; W599-C611 PolarHBondContact O-SG 3.22Å; N600-C611 WeakPolarHBondContact O-CB 3.3Å; N600-C611 PolarHBondContact O-N 3.47Å; C611-I650 VanDerWaalsContact SG-CD1 3.58Å; C611-Y651 WeakPolarHBondContact CA-O 3.11Å; C611-L652 HydrophobicContact CB-CD2 4.47Å; C611-L652 VanDerWaalsContact SG-CD2 3.6Å
612I92Very high89.2Confident87 Ų8736.4 Ų36.445%0.44621%0.213SC..EExtended strand (participates in β ladder)trans-106.47.3-174.758.8165000113.5A555 N610 Y651 K653A555-I612 HydrophobicContact CB-CD1 3.79Å; N610-I612 HydrophobicContact CB-CG2 4.38Å; I612-Y651 WeakPolarHBondContact CG1-O 3.39Å; I612-Y651 PolarHBondContact N-O 3.4Å; I612-K653 HydrophobicContact CD1-CB 4.2Å; I612-K653 HydrophobicContact CG2-CB 3.94Å
613G91.1Very high89Confident36 Ų3636.6 Ų36.637%0.37121%0.214SC..EExtended strand (participates in β ladder)trans135.7171.3173.800000113.7Y651G613-Y651 WeakPolarHBondContact O-CB 3.41Å; G613-Y651 PolarHBondContact O-N 3.25Å
614K91.5Very high88.8Confident90 Ų9033.2 Ų33.239%0.39120%0.2SC..EExtended strand (participates in β ladder)trans-78.7145.9177.6-51.6-172.7-174.8-166.10111.3E597 Q616 T647 G649E597-K614 WeakPolarHBondContact OE2-CE 3.48Å; E597-K614 IonicContact OE2-NZ 3.49Å; E597-K614 PolarHBondContact OE2-NZ 3.4Å; K614-Q616 PolarHBondContact O-N 3.04Å; K614-T647 HydrophobicContact CB-CG2 3.81Å; K614-G649 WeakPolarHBondContact CA-O 3.26Å
615C90Very high88.5Confident4 Ų433.6 Ų33.63%0.02720%0.203CC..EExtended strand (participates in β ladder)trans-83.1111.3-179174.70000111.5L558 R617 T647 F648 G649 Y651L558-C615 HydrophobicContact CD1-CB 3.43Å; L558-C615 VanDerWaalsContact CD1-CB 3.43Å; C615-R617 PolarHBondContact O-N 2.79Å; C615-R617 PolarHBondContact SG-NH1 2.88Å; C615-R617 VanDerWaalsContact SG-NH1 3.35Å; C615-T647 CarbonylContact O-C 3.48Å; C615-T647 VanDerWaalsContact O-CA 3.26Å; C615-T647 WeakPolarHBondContact O-CA 3.38Å; C615-F648 WeakPolarHBondContact CB-O 3.3Å; C615-F648 PolarHBondContact O-N 2.7Å; C615-G649 PolarHBondContact N-O 3.31Å; C615-Y651 VanDerWaalsContact CA-CE2 3.49Å; C615-Y651 HydrophobicContact CB-CD1 4.22Å; C615-Y651 HydrophobicContact CB-CD2 4.31Å; C615-Y651 HydrophobicContact CB-CE1 3.76Å; C615-Y651 HydrophobicContact CB-CE2 3.87Å; C615-Y651 HydrophobicContact CB-CG 4.48Å; C615-Y651 PolarHBondContact SG-OH 3.36Å
616Q87.9Confident88.2Confident79 Ų7938.9 Ų38.937%0.36922%0.223SC..EExtended strand (participates in β ladder)trans-67.1123.1170.2-69.7-175.7-18.400110.4K614 T647K614-Q616 PolarHBondContact O-N 3.04Å; Q616-T647 HydrophobicContact CG-CG2 4.09Å
617R88Confident88.2Confident14 Ų1438.1 Ų38.15%0.05321%0.21CC..  trans-93136.4-176.5-55.9-51.4-56.4-171.4-3.5111.3F582 C615 I621 L638 F646 F648F582-R617 PolarHBondContact O-NH1 3.31Å; F582-R617 PolarHBondContact O-NH2 3.03Å; C615-R617 PolarHBondContact O-N 2.79Å; C615-R617 PolarHBondContact SG-NH1 2.88Å; C615-R617 VanDerWaalsContact SG-NH1 3.35Å; R617-I621 HydrophobicContact CB-CD1 3.9Å; R617-I621 HydrophobicContact CB-CG2 4.4Å; R617-I621 HydrophobicContact CG-CD1 4.3Å; R617-I621 VanDerWaalsContact NE-CG2 3.27Å; R617-L638 HydrophobicContact CB-CD2 3.66Å; R617-L638 HydrophobicContact CG-CD2 3.54Å; R617-F646 VanDerWaalsContact CB-O 3.3Å; R617-F646 WeakPolarHBondContact CB-O 3.24Å; R617-F646 WeakPolarHBondContact CG-O 3.31Å; R617-F646 PolarHBondContact N-O 2.86Å; R617-F648 HydrophobicContact CG-CB 3.72Å
618C80.9Confident88Confident63 Ų6337.8 Ų37.843%0.42621%0.21SC..  trans-99.5176.5171.765.10000111.5V620 I621C618-V620 PolarHBondContact O-N 3.19Å; C618-V620 WeakPolarHBondContact SG-CG1 3.3Å; C618-I621 PolarHBondContact O-N 2.88Å
619A80.8Confident87.9Confident22 Ų2237.6 Ų37.618%0.18222%0.216CC..G310 helixtrans-58-14.7-17900000114.8A345 I621 A622A345-A619 HydrophobicContact CB-CB 4.35Å; A619-I621 PolarHBondContact O-N 2.78Å; A619-I621 VanDerWaalsContact O-N 3.15Å; A619-A622 VanDerWaalsContact O-CB 3.31Å; A619-A622 WeakPolarHBondContact O-CB 3.2Å; A619-A622 PolarHBondContact O-N 2.84Å
620V85.6Confident87.6Confident15 Ų1541.1 Ų41.19%0.09123%0.231CC..G310 helixtrans-58.7-28.1178.182.10000113L486 C618 A622 V623L486-V620 HydrophobicContact CB-CG2 4.1Å; L486-V620 HydrophobicContact CD2-CG2 4Å; L486-V620 HydrophobicContact CG-CG2 4.35Å; C618-V620 PolarHBondContact O-N 3.19Å; C618-V620 WeakPolarHBondContact SG-CG1 3.3Å; V620-A622 PolarHBondContact O-N 3.14Å; V620-V623 WeakPolarHBondContact O-CB 3.26Å; V620-V623 PolarHBondContact O-N 3.16Å
621I89.1Confident87.4Confident0 Ų039.9 Ų39.90%023%0.225CC..G310 helixtrans-69.1-23.2178.266.3170.1000113R581 F582 R617 C618 A619 V623 V634 L635 L638R581-I621 PolarHBondContact NE-O 3.42Å; R581-I621 PolarHBondContact NH2-O 2.49Å; F582-I621 HydrophobicContact CD1-CG2 4.26Å; F582-I621 HydrophobicContact CE1-CD1 4.2Å; R617-I621 HydrophobicContact CB-CD1 3.9Å; R617-I621 HydrophobicContact CB-CG2 4.4Å; R617-I621 HydrophobicContact CG-CD1 4.3Å; R617-I621 VanDerWaalsContact NE-CG2 3.27Å; C618-I621 PolarHBondContact O-N 2.88Å; A619-I621 PolarHBondContact O-N 2.78Å; A619-I621 VanDerWaalsContact O-N 3.15Å; I621-V623 PolarHBondContact O-N 3.31Å; I621-V634 HydrophobicContact CD1-CG1 4.14Å; I621-V634 HydrophobicContact CG1-CG1 4.34Å; I621-L635 HydrophobicContact CD1-CD1 3.8Å; I621-L635 HydrophobicContact CG1-CD1 3.88Å; I621-L638 HydrophobicContact CD1-CD2 3.55Å
622A88.3Confident87.1Confident2 Ų239.5 Ų39.52%0.01722%0.222CC..G310 helixtrans-70.3-16.8173.100000111A345 R581 A619 V620 K630 T631A345-A622 HydrophobicContact CB-CB 4.27Å; R581-A622 PolarHBondContact NH2-O 3.05Å; A619-A622 VanDerWaalsContact O-CB 3.31Å; A619-A622 WeakPolarHBondContact O-CB 3.2Å; A619-A622 PolarHBondContact O-N 2.84Å; V620-A622 PolarHBondContact O-N 3.14Å; A622-K630 CarbonylContact O-C 3.58Å; A622-K630 WeakPolarHBondContact O-CA 3.47Å; A622-T631 WeakPolarHBondContact CB-O 3.47Å; A622-T631 PolarHBondContact O-N 2.74Å
623V87.7Confident86.9Confident4 Ų439.6 Ų39.62%0.02422%0.221CC..BIsolated β-bridgetrans-90.9123.1178.4-166.70000110.1L486 V620 I621 P625 A629 K630L486-V623 HydrophobicContact CD1-CG1 4Å; L486-V623 HydrophobicContact CD2-CB 4.25Å; L486-V623 HydrophobicContact CD2-CG1 4.19Å; L486-V623 HydrophobicContact CG-CB 4.18Å; L486-V623 HydrophobicContact CG-CG1 3.85Å; V620-V623 WeakPolarHBondContact O-CB 3.26Å; V620-V623 PolarHBondContact O-N 3.16Å; I621-V623 PolarHBondContact O-N 3.31Å; V623-P625 WeakPolarHBondContact O-CD 3.41Å; V623-A629 CarbonylContact C-O 3.59Å; V623-A629 WeakPolarHBondContact CA-O 3.21Å; V623-K630 HydrophobicContact CG2-CG 4.29Å
624N87Confident86.8Confident17 Ų1737.9 Ų37.99%0.09120%0.203CC..  trans-66.2119.9170.8179.1-35.5000109.1E626 N627 G628 A629N624-E626 PolarHBondContact O-N 3.11Å; N624-E626 WeakPolarHBondContact OD1-CB 3.43Å; N624-E626 PolarHBondContact OD1-N 3.36Å; N624-N627 WeakPolarHBondContact CB-OD1 3.29Å; N624-G628 VanDerWaalsContact O-CA 3.24Å; N624-G628 WeakPolarHBondContact O-CA 3.47Å; N624-G628 PolarHBondContact O-N 3.23Å; N624-A629 PolarHBondContact N-O 3.05Å
625P85.6Confident86.6Confident9 Ų933.6 Ų33.66%0.05819%0.185CC..THydrogen-bonded Turntrans-71.7-14.3-174.429.8-36000114.2S493 A580 R581 V623S493-P625 WeakPolarHBondContact CB-O 3.23Å; A580-P625 HydrophobicContact CB-CG 4.41Å; R581-P625 HydrophobicContact CB-CG 4.37Å; V623-P625 WeakPolarHBondContact O-CD 3.41Å
626E83.4Confident86.3Confident127 Ų12736.6 Ų36.659%0.59320%0.197SC*.THydrogen-bonded Turntrans-85-36.3-178-56.7-164.3146.900112.9N624N624-E626 PolarHBondContact O-N 3.11Å; N624-E626 WeakPolarHBondContact OD1-CB 3.43Å; N624-E626 PolarHBondContact OD1-N 3.36Å
627N85.3Confident86.2Confident94 Ų9434.6 Ų34.650%0.50319%0.188SC..THydrogen-bonded Turntrans-128.9-9.1-172.862.923.9000114.1S493 N624 A629S493-N627 VanDerWaalsContact OG-C 3.31Å; N624-N627 WeakPolarHBondContact CB-OD1 3.29Å; N627-A629 VanDerWaalsContact C-N 3.26Å; N627-A629 PolarHBondContact O-N 2.82Å; N627-A629 WeakPolarHBondContact OD1-CB 3.22Å; N627-A629 PolarHBondContact OD1-N 2.79Å
628G86.2Confident86.2Confident7 Ų734 Ų347%0.07219%0.186CC..  trans76.96-179.400000114.7A490 S493 N624A490-G628 WeakPolarHBondContact CB-O 3.46Å; S493-G628 PolarHBondContact OG-N 3.37Å; N624-G628 VanDerWaalsContact O-CA 3.24Å; N624-G628 WeakPolarHBondContact O-CA 3.47Å; N624-G628 PolarHBondContact O-N 3.23Å
629A87.4Confident86.3Confident48 Ų4831.7 Ų31.740%0.39717%0.169SC..  trans-65.5141.4175.700000110.5V623 N624 N627V623-A629 CarbonylContact C-O 3.59Å; V623-A629 WeakPolarHBondContact CA-O 3.21Å; N624-A629 PolarHBondContact N-O 3.05Å; N627-A629 VanDerWaalsContact C-N 3.26Å; N627-A629 PolarHBondContact O-N 2.82Å; N627-A629 WeakPolarHBondContact OD1-CB 3.22Å; N627-A629 PolarHBondContact OD1-N 2.79Å
630K86.6Confident86.4Confident74 Ų7433.9 Ų33.932%0.32218%0.18SC..BIsolated β-bridgetrans-94132176.8-67-174.8178.7-174.90110.1D347 A622 V623D347-K630 IonicContact OD1-NZ 3.43Å; D347-K630 PolarHBondContact OD1-NZ 3.17Å; D347-K630 VanDerWaalsContact OD2-CD 3.24Å; D347-K630 WeakPolarHBondContact OD2-CD 3.01Å; D347-K630 IonicContact OD2-NZ 3.04Å; D347-K630 PolarHBondContact OD2-NZ 2.72Å; A622-K630 CarbonylContact O-C 3.58Å; A622-K630 WeakPolarHBondContact O-CA 3.47Å; V623-K630 HydrophobicContact CG2-CG 4.29Å
631T88.7Confident86.1Confident20 Ų2035.6 Ų35.612%0.12319%0.188CC..  trans-125.680.2173.6-43.40000107.7M572 A622 E633 V634M572-T631 HydrophobicContact CE-CG2 4.39Å; A622-T631 WeakPolarHBondContact CB-O 3.47Å; A622-T631 PolarHBondContact O-N 2.74Å; T631-E633 VanDerWaalsContact C-OE2 3.29Å; T631-E633 WeakPolarHBondContact CA-OE2 3.28Å; T631-E633 HydrophobicContact CG2-CB 4.36Å; T631-E633 VanDerWaalsContact CG2-OE2 3.26Å; T631-E633 WeakPolarHBondContact CG2-OE2 3.4Å; T631-E633 PolarHBondContact O-N 2.94Å; T631-E633 VanDerWaalsContact O-N 3.14Å; T631-V634 HydrophobicContact CG2-CG2 3.96Å; T631-V634 WeakPolarHBondContact O-CG2 3.33Å; T631-V634 PolarHBondContact O-N 3.01Å
632P86.7Confident85.7Confident18 Ų1837.1 Ų37.112%0.11720%0.199CC..THydrogen-bonded Turntrans-57.1-26-178-2131.7000113.6A345 Y346 V634 L635 K636A345-P632 HydrophobicContact CB-CB 4.38Å; A345-P632 WeakPolarHBondContact O-CG 3.29Å; Y346-P632 HydrophobicContact CD1-CB 4.3Å; Y346-P632 HydrophobicContact CD1-CG 4.44Å; Y346-P632 HydrophobicContact CD2-CB 3.63Å; Y346-P632 HydrophobicContact CD2-CG 4.43Å; Y346-P632 HydrophobicContact CE1-CB 4.11Å; Y346-P632 HydrophobicContact CE1-CG 4.49Å; Y346-P632 HydrophobicContact CE2-CB 3.39Å; Y346-P632 HydrophobicContact CE2-CG 4.46Å; Y346-P632 HydrophobicContact CG-CB 4.1Å; Y346-P632 HydrophobicContact CG-CG 4.43Å; P632-V634 PolarHBondContact O-N 3.1Å; P632-L635 PolarHBondContact O-N 3.21Å; P632-L635 VanDerWaalsContact O-N 3.11Å; P632-K636 PolarHBondContact O-N 2.74Å
633E86.8Confident85.2Confident88 Ų8838.2 Ų38.241%0.41121%0.21SC..Hα-helixtrans-55.2-26.6179.5-6373.8-163.300112M572 T631 K636 H637M572-E633 HydrophobicContact CE-CB 3.45Å; M572-E633 VanDerWaalsContact CE-CB 3.45Å; T631-E633 VanDerWaalsContact C-OE2 3.29Å; T631-E633 WeakPolarHBondContact CA-OE2 3.28Å; T631-E633 HydrophobicContact CG2-CB 4.36Å; T631-E633 VanDerWaalsContact CG2-OE2 3.26Å; T631-E633 WeakPolarHBondContact CG2-OE2 3.4Å; T631-E633 PolarHBondContact O-N 2.94Å; T631-E633 VanDerWaalsContact O-N 3.14Å; E633-K636 WeakPolarHBondContact O-CB 3.08Å; E633-K636 PolarHBondContact O-N 3.13Å; E633-H637 WeakPolarHBondContact O-CB 3.31Å; E633-H637 PolarHBondContact O-N 2.93Å
634V88.5Confident84.5Confident0 Ų041.5 Ų41.50%023%0.233CC..Hα-helixtrans-68.8-44.5-178.6-179.40000110.6M572 F582 I621 T631 P632 K636 H637 L638M572-V634 VanDerWaalsContact CE-CA 3.49Å; M572-V634 HydrophobicContact CE-CB 4.1Å; M572-V634 HydrophobicContact CE-CG2 3.5Å; M572-V634 VanDerWaalsContact CE-N 3.28Å; M572-V634 VanDerWaalsContact SD-CA 3.56Å; M572-V634 HydrophobicContact SD-CB 4.3Å; M572-V634 HydrophobicContact SD-CG2 4.13Å; F582-V634 HydrophobicContact CE1-CG1 4.21Å; F582-V634 HydrophobicContact CZ-CG1 4.1Å; I621-V634 HydrophobicContact CD1-CG1 4.14Å; I621-V634 HydrophobicContact CG1-CG1 4.34Å; T631-V634 HydrophobicContact CG2-CG2 3.96Å; T631-V634 WeakPolarHBondContact O-CG2 3.33Å; T631-V634 PolarHBondContact O-N 3.01Å; P632-V634 PolarHBondContact O-N 3.1Å; V634-K636 VanDerWaalsContact C-N 3.32Å; V634-H637 PolarHBondContact O-N 3.36Å; V634-L638 VanDerWaalsContact O-CB 3.31Å; V634-L638 WeakPolarHBondContact O-CB 3.49Å; V634-L638 PolarHBondContact O-N 2.99Å
635L87.3Confident84Confident0 Ų046 Ų460%025%0.254CS..Hα-helixtrans-70.6-35.8178.2-16672.4000110.4R341 M342 A345 I621 P632 H639 F646R341-L635 HydrophobicContact CG-CD2 4.23Å; M342-L635 HydrophobicContact SD-CB 4.24Å; M342-L635 HydrophobicContact SD-CD2 3.63Å; M342-L635 HydrophobicContact SD-CG 3.73Å; A345-L635 HydrophobicContact CB-CD2 3.67Å; I621-L635 HydrophobicContact CD1-CD1 3.8Å; I621-L635 HydrophobicContact CG1-CD1 3.88Å; P632-L635 PolarHBondContact O-N 3.21Å; P632-L635 VanDerWaalsContact O-N 3.11Å; L635-H639 WeakPolarHBondContact O-CB 3.27Å; L635-H639 PolarHBondContact O-N 2.67Å; L635-F646 HydrophobicContact CD1-CD1 3.87Å; L635-F646 HydrophobicContact CD1-CE1 4.34Å; L635-F646 HydrophobicContact CG-CD1 4.04Å; L635-F646 HydrophobicContact CG-CE1 4Å
636K84.6Confident84Confident67 Ų6745.5 Ų45.529%0.29125%0.251SS..Hα-helixtrans-62.8-46.3173.3177.3179161.4174.30111.9M342 E414 P632 E633 V634 L638 H639 T640M342-K636 HydrophobicContact CE-CB 3.77Å; M342-K636 HydrophobicContact CE-CG 4.48Å; E414-K636 WeakPolarHBondContact O-CE 3.47Å; E414-K636 PolarHBondContact O-NZ 3.31Å; P632-K636 PolarHBondContact O-N 2.74Å; E633-K636 WeakPolarHBondContact O-CB 3.08Å; E633-K636 PolarHBondContact O-N 3.13Å; V634-K636 VanDerWaalsContact C-N 3.32Å; K636-L638 VanDerWaalsContact C-N 3.34Å; K636-H639 VanDerWaalsContact O-CB 3.25Å; K636-H639 WeakPolarHBondContact O-CB 3.45Å; K636-H639 PolarHBondContact O-N 3.36Å; K636-T640 PolarHBondContact O-N 2.79Å; K636-T640 PolarHBondContact O-OG1 3.05Å
637H86Confident84.2Confident38 Ų3839.9 Ų39.918%0.17623%0.225CC..Hα-helixtrans-69-38.1-179.8-156.756.1000111.4L568 E571 M572 E633 V634 H639 T640 L641L568-H637 HydrophobicContact CD1-CB 4.31Å; L568-H637 PolarHBondContact O-CD2 3.28Å; E571-H637 VanDerWaalsContact CB-NE2 3.29Å; E571-H637 WeakPolarHBondContact CB-NE2 3.33Å; E571-H637 IonicContact OE2-CD2 3.15Å; E571-H637 IonicContact OE2-CE1 2.63Å; E571-H637 PolarHBondContact OE2-CE1 2.8Å; E571-H637 VanDerWaalsContact OE2-CE1 3.29Å; E571-H637 IonicContact OE2-NE2 3.41Å; E571-H637 PolarHBondContact OE2-NE2 3.44Å; M572-H637 HydrophobicContact CG-CB 3.93Å; M572-H637 HydrophobicContact SD-CB 3.59Å; M572-H637 VanDerWaalsContact SD-CB 3.59Å; E633-H637 WeakPolarHBondContact O-CB 3.31Å; E633-H637 PolarHBondContact O-N 2.93Å; V634-H637 PolarHBondContact O-N 3.36Å; H637-H639 VanDerWaalsContact C-N 3.27Å; H637-H639 PolarHBondContact O-N 3.13Å; H637-T640 VanDerWaalsContact O-CB 3.32Å; H637-T640 WeakPolarHBondContact O-CB 3.34Å; H637-T640 PolarHBondContact O-N 3.22Å; H637-T640 VanDerWaalsContact O-N 3.11Å; H637-L641 PolarHBondContact O-N 2.87Å; H637-L641 VanDerWaalsContact O-N 3.08Å
638L87.9Confident84.5Confident2 Ų235.5 Ų35.51%0.0120%0.202CC..Hα-helixtrans-60.7-38170.7-17861.5000112.3L568 R617 I621 V634 K636 T640 L641 S642 T647 F648L568-L638 HydrophobicContact CD1-CB 4.48Å; R617-L638 HydrophobicContact CB-CD2 3.66Å; R617-L638 HydrophobicContact CG-CD2 3.54Å; I621-L638 HydrophobicContact CD1-CD2 3.55Å; V634-L638 VanDerWaalsContact O-CB 3.31Å; V634-L638 WeakPolarHBondContact O-CB 3.49Å; V634-L638 PolarHBondContact O-N 2.99Å; K636-L638 VanDerWaalsContact C-N 3.34Å; L638-T640 VanDerWaalsContact C-N 3.34Å; L638-L641 PolarHBondContact O-N 3.16Å; L638-S642 PolarHBondContact O-N 3.18Å; L638-S642 PolarHBondContact O-OG 2.83Å; L638-T647 WeakPolarHBondContact CD1-O 3.4Å; L638-F648 HydrophobicContact CD1-CB 3.75Å; L638-F648 HydrophobicContact CD1-CD2 3.94Å; L638-F648 HydrophobicContact CD1-CG 4.24Å; L638-F648 HydrophobicContact CD2-CB 4.1Å
639H83.8Confident84.9Confident14 Ų1435.1 Ų35.17%0.06520%0.198CC..Hα-helixtrans-61-43.4173-176.855.2000111.7R328 E338 L635 K636 H637 L641 G643 F646R328-H639 PolarHBondContact NH1-NE2 2.87Å; R328-H639 PolarHBondContact NH2-CE1 3.36Å; R328-H639 VanDerWaalsContact NH2-CE1 3.32Å; R328-H639 PolarHBondContact NH2-NE2 3.2Å; E338-H639 IonicContact OE1-CD2 3.16Å; E338-H639 IonicContact OE1-CE1 2.56Å; E338-H639 PolarHBondContact OE1-CE1 2.88Å; E338-H639 IonicContact OE1-ND1 3.91Å; E338-H639 IonicContact OE1-NE2 2.99Å; E338-H639 PolarHBondContact OE1-NE2 2.98Å; E338-H639 IonicContact OE2-CE1 3.53Å; L635-H639 WeakPolarHBondContact O-CB 3.27Å; L635-H639 PolarHBondContact O-N 2.67Å; K636-H639 VanDerWaalsContact O-CB 3.25Å; K636-H639 WeakPolarHBondContact O-CB 3.45Å; K636-H639 PolarHBondContact O-N 3.36Å; H637-H639 VanDerWaalsContact C-N 3.27Å; H637-H639 PolarHBondContact O-N 3.13Å; H639-L641 VanDerWaalsContact C-N 3.31Å; H639-L641 PolarHBondContact O-N 3.27Å; H639-G643 VanDerWaalsContact CE1-C 3.48Å; H639-G643 PolarHBondContact CE1-O 2.97Å; H639-G643 PolarHBondContact ND1-O 3.17Å; H639-G643 WeakPolarHBondContact O-CA 3.06Å; H639-G643 PolarHBondContact O-N 3.41Å; H639-F646 HydrophobicContact CB-CD1 4.25Å; H639-F646 HydrophobicContact CB-CE1 3.56Å; H639-F646 HydrophobicContact CB-CZ 3.89Å; H639-F646 AromaticContact CG-CE1 3.94Å; H639-F646 AromaticContact CG-CZ 3.71Å; H639-F646 AromaticContact ND1-CE1 3.85Å; H639-F646 AromaticContact ND1-CE2 3.58Å; H639-F646 AromaticContact ND1-CZ 3.3Å; H639-F646 VanDerWaalsContact ND1-CZ 3.3Å; H639-F646 WeakPolarHBondContact ND1-CZ 3.35Å
640T81.6Confident85.2Confident68 Ų6833.1 Ų33.142%0.41718%0.18SC..Hα-helixtrans-58.5-42.1176.3-55.20000112L422 K636 H637 L638L422-T640 HydrophobicContact CD2-CG2 3.76Å; K636-T640 PolarHBondContact O-N 2.79Å; K636-T640 PolarHBondContact O-OG1 3.05Å; H637-T640 VanDerWaalsContact O-CB 3.32Å; H637-T640 WeakPolarHBondContact O-CB 3.34Å; H637-T640 PolarHBondContact O-N 3.22Å; H637-T640 VanDerWaalsContact O-N 3.11Å; L638-T640 VanDerWaalsContact C-N 3.34Å
641L79.9Confident85.6Confident50 Ų5031.3 Ų31.326%0.26217%0.172SC..Hα-helixtrans-78.8-47.5-177.1-68.8173.1000113.6L425 L568 F594 H637 L638 H639L425-L641 HydrophobicContact CD1-CD2 3.86Å; L568-L641 HydrophobicContact CD1-CD1 3.44Å; L568-L641 VanDerWaalsContact CD1-CD1 3.44Å; F594-L641 HydrophobicContact CZ-CD1 4.13Å; H637-L641 PolarHBondContact O-N 2.87Å; H637-L641 VanDerWaalsContact O-N 3.08Å; L638-L641 PolarHBondContact O-N 3.16Å; H639-L641 VanDerWaalsContact C-N 3.31Å; H639-L641 PolarHBondContact O-N 3.27Å
642S81Confident85.8Confident32 Ų3230.3 Ų30.322%0.22417%0.166CC..Hα-helixtrans-99.8-4.9-172.567.20000114.1L638 F646 T647L638-S642 PolarHBondContact O-N 3.18Å; L638-S642 PolarHBondContact O-OG 2.83Å; S642-F646 VanDerWaalsContact OG-CA 3.3Å; S642-F646 WeakPolarHBondContact OG-CA 3.37Å; S642-F646 PolarHBondContact OG-N 3.42Å; S642-T647 WeakPolarHBondContact CB-O 3.08Å; S642-T647 PolarHBondContact OG-N 3.17Å
643G77.4Confident86Confident25 Ų2533.8 Ų33.826%0.25818%0.179SC..G310 helixtrans67.1-148.6-174.700000113H639 E645 F646H639-G643 VanDerWaalsContact CE1-C 3.48Å; H639-G643 PolarHBondContact CE1-O 2.97Å; H639-G643 PolarHBondContact ND1-O 3.17Å; H639-G643 WeakPolarHBondContact O-CA 3.06Å; H639-G643 PolarHBondContact O-N 3.41Å; G643-E645 PolarHBondContact O-N 3.48Å; G643-E645 VanDerWaalsContact O-N 3.16Å; G643-F646 PolarHBondContact O-N 3Å
644S72.4Confident86.1Confident73 Ų7330 Ų3051%0.5116%0.162SC..G310 helixtrans-68.2-9.8-175.957.20000114.3E338 F646E338-S644 WeakPolarHBondContact OE2-CB 3.48Å; S644-F646 WeakPolarHBondContact O-CD2 3.41Å
645E77.6Confident85.9Confident111 Ų11134 Ų3452%0.51918%0.18SC..G310 helixtrans-78.6-24.4179.5-58-145135.800112.7G643 T647G643-E645 PolarHBondContact O-N 3.48Å; G643-E645 VanDerWaalsContact O-N 3.16Å; E645-T647 HydrophobicContact CB-CG2 3.76Å; E645-T647 PolarHBondContact O-N 2.9Å
646F84.1Confident84.8Confident0 Ų038.8 Ų38.80%021%0.206CC..  trans50.841.7-175-66.4-97.1000112.6E338 M342 R617 L635 H639 S642 G643 S644E338-F646 HydrophobicContact CB-CE2 3.87Å; E338-F646 HydrophobicContact CB-CZ 4.46Å; E338-F646 HydrophobicContact CG-CE2 3.65Å; E338-F646 HydrophobicContact CG-CZ 3.86Å; M342-F646 HydrophobicContact CG-CE1 4.12Å; M342-F646 HydrophobicContact CG-CZ 3.85Å; M342-F646 HydrophobicContact SD-CE1 3.52Å; M342-F646 VanDerWaalsContact SD-CE1 3.52Å; M342-F646 HydrophobicContact SD-CZ 3.89Å; R617-F646 VanDerWaalsContact CB-O 3.3Å; R617-F646 WeakPolarHBondContact CB-O 3.24Å; R617-F646 WeakPolarHBondContact CG-O 3.31Å; R617-F646 PolarHBondContact N-O 2.86Å; L635-F646 HydrophobicContact CD1-CD1 3.87Å; L635-F646 HydrophobicContact CD1-CE1 4.34Å; L635-F646 HydrophobicContact CG-CD1 4.04Å; L635-F646 HydrophobicContact CG-CE1 4Å; H639-F646 HydrophobicContact CB-CD1 4.25Å; H639-F646 HydrophobicContact CB-CE1 3.56Å; H639-F646 HydrophobicContact CB-CZ 3.89Å; H639-F646 AromaticContact CG-CE1 3.94Å; H639-F646 AromaticContact CG-CZ 3.71Å; H639-F646 AromaticContact ND1-CE1 3.85Å; H639-F646 AromaticContact ND1-CE2 3.58Å; H639-F646 AromaticContact ND1-CZ 3.3Å; H639-F646 VanDerWaalsContact ND1-CZ 3.3Å; H639-F646 WeakPolarHBondContact ND1-CZ 3.35Å; S642-F646 VanDerWaalsContact OG-CA 3.3Å; S642-F646 WeakPolarHBondContact OG-CA 3.37Å; S642-F646 PolarHBondContact OG-N 3.42Å; G643-F646 PolarHBondContact O-N 3Å; S644-F646 WeakPolarHBondContact O-CD2 3.41Å
647T89.1Confident83.7Confident9 Ų941 Ų416%0.05522%0.217CC..EExtended strand (participates in β ladder)trans-93.2134.9-174.753.30000111.9K614 C615 Q616 L638 S642 E645K614-T647 HydrophobicContact CB-CG2 3.81Å; C615-T647 CarbonylContact O-C 3.48Å; C615-T647 VanDerWaalsContact O-CA 3.26Å; C615-T647 WeakPolarHBondContact O-CA 3.38Å; Q616-T647 HydrophobicContact CG-CG2 4.09Å; L638-T647 WeakPolarHBondContact CD1-O 3.4Å; S642-T647 WeakPolarHBondContact CB-O 3.08Å; S642-T647 PolarHBondContact OG-N 3.17Å; E645-T647 HydrophobicContact CB-CG2 3.76Å; E645-T647 PolarHBondContact O-N 2.9Å
648F91.8Very high81.8Confident1 Ų146.5 Ų46.50%0.00424%0.243CC..EExtended strand (participates in β ladder)trans-149.9125.6171.5-169.3-94.9000111.2V560 V565 L568 F582 F594 C615 R617 L638V560-F648 HydrophobicContact CB-CE1 4.26Å; V560-F648 HydrophobicContact CG1-CD1 4.14Å; V560-F648 HydrophobicContact CG1-CE1 3.9Å; V565-F648 HydrophobicContact CB-CZ 4.31Å; V565-F648 HydrophobicContact CG2-CE1 3.64Å; V565-F648 HydrophobicContact CG2-CZ 3.61Å; L568-F648 HydrophobicContact CB-CE2 4.37Å; L568-F648 HydrophobicContact CD2-CD2 4Å; L568-F648 HydrophobicContact CD2-CE2 3.78Å; L568-F648 HydrophobicContact CD2-CZ 4.21Å; F582-F648 HydrophobicContact CB-CD1 4.22Å; F582-F648 HydrophobicContact CB-CE1 4.28Å; F582-F648 AromaticContact CD1-CD1 3.54Å; F582-F648 HydrophobicContact CD1-CD1 3.54Å; F582-F648 AromaticContact CD1-CE1 3.85Å; F582-F648 HydrophobicContact CD1-CE1 3.85Å; F582-F648 HydrophobicContact CD1-CG 4.21Å; F582-F648 HydrophobicContact CD2-CE1 4.2Å; F582-F648 HydrophobicContact CE1-CD1 4.12Å; F582-F648 HydrophobicContact CE1-CE1 4.29Å; F582-F648 HydrophobicContact CE1-CG 4.47Å; F582-F648 AromaticContact CG-CD1 3.88Å; F582-F648 HydrophobicContact CG-CD1 3.88Å; F582-F648 AromaticContact CG-CE1 3.81Å; F582-F648 HydrophobicContact CG-CE1 3.81Å; F594-F648 HydrophobicContact CE1-CD2 4.36Å; F594-F648 AromaticContact CE1-CE2 3.96Å; F594-F648 HydrophobicContact CE1-CE2 3.96Å; C615-F648 WeakPolarHBondContact CB-O 3.3Å; C615-F648 PolarHBondContact O-N 2.7Å; R617-F648 HydrophobicContact CG-CB 3.72Å; L638-F648 HydrophobicContact CD1-CB 3.75Å; L638-F648 HydrophobicContact CD1-CD2 3.94Å; L638-F648 HydrophobicContact CD1-CG 4.24Å; L638-F648 HydrophobicContact CD2-CB 4.1Å
649G93Very high80Confident0 Ų052.9 Ų52.90%028%0.277CS..EExtended strand (participates in β ladder)trans79.7168.9-174.900000113.1M559 K614 C615M559-G649 CarbonylContact O-C 3.56Å; M559-G649 WeakPolarHBondContact O-CA 3.4Å; K614-G649 WeakPolarHBondContact CA-O 3.26Å; C615-G649 PolarHBondContact N-O 3.31Å
650I94.2Very high78.7Confident5 Ų555.9 Ų55.93%0.02629%0.293CS..EExtended strand (participates in β ladder)trans-119.5139.9-174.758.4168.8000112.2M559 E596 E597 V602 C611 L652M559-I650 HydrophobicContact CB-CG1 4.17Å; M559-I650 HydrophobicContact CE-CD1 3.35Å; M559-I650 HydrophobicContact CE-CG1 3.78Å; M559-I650 PolarHBondContact N-O 3.04Å; M559-I650 PolarHBondContact O-N 3.5Å; E596-I650 HydrophobicContact CB-CD1 4.26Å; E596-I650 HydrophobicContact CG-CG1 4.46Å; E596-I650 WeakPolarHBondContact O-CD1 3.24Å; E597-I650 HydrophobicContact CG-CG2 4.4Å; V602-I650 HydrophobicContact CG2-CD1 4.43Å; C611-I650 VanDerWaalsContact SG-CD1 3.58Å; I650-L652 HydrophobicContact CD1-CD2 4.09Å; I650-L652 HydrophobicContact CG1-CD2 4.43Å
651Y95Very high77.2Confident36 Ų3658.5 Ų58.514%0.14131%0.31CS..EExtended strand (participates in β ladder)trans-80.9130.9173.6-73.4-47000110.9Q554 A555 L558 C611 I612 G613 C615Q554-Y651 HydrophobicContact CB-CE1 4.38Å; Q554-Y651 HydrophobicContact CB-CE2 3.94Å; Q554-Y651 PolarHBondContact OE1-OH 3.06Å; A555-Y651 HydrophobicContact CB-CD1 3.37Å; A555-Y651 HydrophobicContact CB-CD2 4.45Å; A555-Y651 HydrophobicContact CB-CE1 4.16Å; A555-Y651 HydrophobicContact CB-CG 3.55Å; L558-Y651 HydrophobicContact CD1-CD1 4.17Å; L558-Y651 HydrophobicContact CD1-CE1 4.24Å; C611-Y651 WeakPolarHBondContact CA-O 3.11Å; I612-Y651 WeakPolarHBondContact CG1-O 3.39Å; I612-Y651 PolarHBondContact N-O 3.4Å; G613-Y651 WeakPolarHBondContact O-CB 3.41Å; G613-Y651 PolarHBondContact O-N 3.25Å; C615-Y651 VanDerWaalsContact CA-CE2 3.49Å; C615-Y651 HydrophobicContact CB-CD1 4.22Å; C615-Y651 HydrophobicContact CB-CD2 4.31Å; C615-Y651 HydrophobicContact CB-CE1 3.76Å; C615-Y651 HydrophobicContact CB-CE2 3.87Å; C615-Y651 HydrophobicContact CB-CG 4.48Å; C615-Y651 PolarHBondContact SG-OH 3.36Å
652L93.5Very high76.1Confident0 Ų058.8 Ų58.80%032%0.324CS..EExtended strand (participates in β ladder)trans-112.8145.4176.4-59.1-179.5000111.1Y557 M559 L586 V602 F609 N610 C611 I650Y557-L652 PolarHBondContact N-O 3.13Å; Y557-L652 PolarHBondContact O-N 2.96Å; M559-L652 HydrophobicContact CB-CD1 3.71Å; M559-L652 HydrophobicContact CB-CG 4.14Å; M559-L652 HydrophobicContact CG-CD1 4.37Å; M559-L652 HydrophobicContact SD-CD1 3.92Å; L586-L652 HydrophobicContact CD1-CD1 4.14Å; V602-L652 HydrophobicContact CB-CD2 4.43Å; V602-L652 HydrophobicContact CG2-CD2 4.04Å; F609-L652 HydrophobicContact CB-CB 4.13Å; F609-L652 HydrophobicContact CB-CD1 4.25Å; F609-L652 HydrophobicContact CB-CD2 4.25Å; F609-L652 HydrophobicContact CB-CG 4.46Å; F609-L652 HydrophobicContact CD1-CB 4.21Å; F609-L652 HydrophobicContact CG-CB 4.42Å; F609-L652 HydrophobicContact CG-CD1 4.29Å; N610-L652 WeakPolarHBondContact O-CA 3.37Å; C611-L652 HydrophobicContact CB-CD2 4.47Å; C611-L652 VanDerWaalsContact SG-CD2 3.6Å; I650-L652 HydrophobicContact CD1-CD2 4.09Å; I650-L652 HydrophobicContact CG1-CD2 4.43Å
653K91.2Very high75.9Confident91 Ų9157.9 Ų57.940%0.39632%0.32SS..EExtended strand (participates in β ladder)trans-130.3134.1170.9-171.1-178176.6-174.70109.2F609 N610 I612 E655F609-K653 CarbonylContact C-O 3.53Å; F609-K653 WeakPolarHBondContact CA-O 3.29Å; N610-K653 PolarHBondContact N-O 2.76Å; N610-K653 PolarHBondContact O-N 2.92Å; I612-K653 HydrophobicContact CD1-CB 4.2Å; I612-K653 HydrophobicContact CG2-CB 3.94Å; K653-E655 PolarHBondContact O-N 3.1Å
654L88.9Confident76.5Confident9 Ų959.3 Ų59.35%0.04732%0.321CS..EExtended strand (participates in β ladder)trans-55.3131.5170.8-100142.7000110.2I463 S464 Y557 T607 F609I463-L654 HydrophobicContact CD1-CD1 4.31Å; I463-L654 HydrophobicContact CD1-CD2 4.26Å; S464-L654 WeakPolarHBondContact O-CD1 2.81Å; Y557-L654 HydrophobicContact CE2-CD1 3.87Å; Y557-L654 HydrophobicContact CE2-CG 4.4Å; Y557-L654 VanDerWaalsContact OH-CD1 3.26Å; Y557-L654 WeakPolarHBondContact OH-CD1 3.39Å; T607-L654 HydrophobicContact CG2-CD2 3.78Å; F609-L654 HydrophobicContact CD1-CG 4.24Å; F609-L654 HydrophobicContact CE1-CD1 4.45Å; F609-L654 HydrophobicContact CE1-CG 3.94Å
655E82.8Confident77.5Confident82 Ų8255.8 Ų55.838%0.38330%0.297SS..SBendtrans-72.3-53.6-180-175.5171.8-15200111.6Q601 L608 K653Q601-E655 PolarHBondContact NE2-OE1 3.19Å; L608-E655 WeakPolarHBondContact CD2-OE2 3.37Å; L608-E655 WeakPolarHBondContact CG-OE2 3.39Å; L608-E655 PolarHBondContact O-N 2.76Å; K653-E655 PolarHBondContact O-N 3.1Å
656D64.8Low78.4Confident102 Ų10256 Ų5655%0.54529%0.293SS..  trans-94.7106.9179.6-99.5-34.9000111.3Q658D656-Q658 PolarHBondContact O-N 3.24Å; D656-Q658 VanDerWaalsContact O-N 3.16Å
657Q61.3Low79Confident113 Ų11358.2 Ų58.253%0.52830%0.304SS..  trans-76.215.5171.8-66.3-162.5-23.200113.5N659Q657-N659 PolarHBondContact O-N 3.11Å
658Q46.7Very low79.3Confident154 Ų15459.5 Ų59.572%0.7232%0.319SS*.SBendtrans-74.989.7178.3-66.1-165.520.800110.6D656 L660D656-Q658 PolarHBondContact O-N 3.24Å; D656-Q658 VanDerWaalsContact O-N 3.16Å; Q658-L660 VanDerWaalsContact C-N 3.26Å; Q658-L660 PolarHBondContact O-N 2.95Å
659N50.9Low79.5Confident135 Ų13560.8 Ų60.872%0.72233%0.326SS*.  trans34.245.5160.3-84.8-6.9000117.2Q657 T661Q657-N659 PolarHBondContact O-N 3.11Å; N659-T661 PolarHBondContact O-N 2.85Å
660L54.6Low79.5Confident77 Ų7762.9 Ų62.940%0.40334%0.34SS..  trans-81.365.5168-78.5161.1000109.6Q658 G662Q658-L660 VanDerWaalsContact C-N 3.26Å; Q658-L660 PolarHBondContact O-N 2.95Å; L660-G662 PolarHBondContact O-N 2.9Å
661T51.9Low79.5Confident124 Ų12462.6 Ų62.676%0.76134%0.338SS*.THydrogen-bonded Turntrans-71.696.8153.237.50000107.4N659N659-T661 PolarHBondContact O-N 2.85Å
662G56.2Low79.4Confident55 Ų5565.3 Ų65.357%0.56735%0.349SS*.THydrogen-bonded Turntrans120.89.5173.600000116.9L660L660-G662 PolarHBondContact O-N 2.9Å
663G77.4Confident79.1Confident13 Ų1365.8 Ų65.813%0.13435%0.354CS..EExtended strand (participates in β ladder)trans-60145.7165.500000110.1P462 I463P462-G663 CarbonylContact C-O 3.52Å; P462-G663 VanDerWaalsContact CA-O 3.24Å; P462-G663 WeakPolarHBondContact CA-O 3.4Å; I463-G663 VanDerWaalsContact CG1-C 3.46Å; I463-G663 VanDerWaalsContact CG1-O 3.25Å; I463-G663 WeakPolarHBondContact CG1-O 3.42Å; I463-G663 PolarHBondContact N-O 2.85Å
664L89Confident78.8Confident55 Ų5564.8 Ų64.829%0.28835%0.352SS..EExtended strand (participates in β ladder)trans-124.6127.2-175.1-142.194.3000108.9H460 R666H460-L664 HydrophobicContact CB-CD2 3.55Å; H460-L664 HydrophobicContact CB-CG 4.04Å; H460-L664 VanDerWaalsContact CD2-CD2 3.4Å; H460-L664 WeakPolarHBondContact CD2-CD2 3.23Å; H460-L664 VanDerWaalsContact CG-CD2 3.49Å; L664-R666 HydrophobicContact CD2-CG 4.11Å; L664-R666 VanDerWaalsContact CD2-CZ 3.47Å
665L93.7Very high78.5Confident0 Ų068.3 Ų68.30%037%0.374CS..EExtended strand (participates in β ladder)trans-97.6134.3165.6-65.3177.4000108.4L441 I444 H460 W461 I463 L468 L586 I604 F609L441-L665 HydrophobicContact CD2-CB 4.18Å; I444-L665 HydrophobicContact CD1-CB 3.9Å; H460-L665 CarbonylContact C-O 3.53Å; H460-L665 WeakPolarHBondContact CA-O 3.47Å; H460-L665 WeakPolarHBondContact CB-O 3.37Å; W461-L665 PolarHBondContact N-O 3.05Å; W461-L665 PolarHBondContact O-N 3.26Å; I463-L665 HydrophobicContact CG2-CD1 3.66Å; I463-L665 HydrophobicContact CG2-CG 3.77Å; L468-L665 HydrophobicContact CD2-CD1 4.4Å; L586-L665 HydrophobicContact CD1-CD1 4.36Å; L586-L665 HydrophobicContact CD2-CD1 3.81Å; I604-L665 HydrophobicContact CB-CD2 4.23Å; I604-L665 HydrophobicContact CG2-CD2 4.04Å; F609-L665 HydrophobicContact CE2-CD2 4.38Å; F609-L665 HydrophobicContact CZ-CD1 4.16Å; F609-L665 HydrophobicContact CZ-CD2 4.3Å
666R96.4Very high78.3Confident116 Ų11667.6 Ų67.644%0.43837%0.373SS..EExtended strand (participates in β ladder)trans-115.8139.1-179.5-56-177173.6-95.30.1110.6D459 H460 L664 G668 D669D459-R666 CarbonylContact O-C 3.53Å; D459-R666 WeakPolarHBondContact O-CA 3.47Å; D459-R666 IonicContact OD2-NH1 3.78Å; H460-R666 HydrophobicContact CB-CB 4.38Å; H460-R666 HydrophobicContact CB-CG 3.87Å; L664-R666 HydrophobicContact CD2-CG 4.11Å; L664-R666 VanDerWaalsContact CD2-CZ 3.47Å; R666-G668 PolarHBondContact O-N 3.09Å; R666-D669 PolarHBondContact N-OD2 2.88Å; R666-D669 VanDerWaalsContact O-CB 3.28Å; R666-D669 WeakPolarHBondContact O-CB 3.45Å; R666-D669 VanDerWaalsContact O-CG 3.3Å; R666-D669 PolarHBondContact O-N 2.95Å
667I96.9Very high79Confident46 Ų4665.8 Ų65.824%0.23636%0.364CS..THydrogen-bonded Turntrans-57.3129.1165.5-57.2-57.8000107.9E442 I444 D459E442-I667 WeakPolarHBondContact O-CG2 3.37Å; I444-I667 HydrophobicContact CB-CD1 4.13Å; I444-I667 HydrophobicContact CD1-CD1 3.91Å; I444-I667 HydrophobicContact CG1-CD1 3.69Å; D459-I667 WeakPolarHBondContact O-CG1 3.16Å; D459-I667 PolarHBondContact O-N 2.68Å
668G96Very high80Confident35 Ų3563.2 Ų63.236%0.36136%0.355SS..THydrogen-bonded Turntrans91.8-3.4-173.800000115.7K440 L441 R666K440-G668 VanDerWaalsContact CE-CA 3.45Å; L441-G668 PolarHBondContact O-N 3.01Å; R666-G668 PolarHBondContact O-N 3.09Å
669D94.8Very high82Confident28 Ų2857.8 Ų57.815%0.1533%0.333CS..  trans-56.5138.5173.5-84.3-21.3000110.8L441 I604 R666 V671L441-D669 HydrophobicContact CB-CB 4.35Å; L441-D669 PolarHBondContact N-O 3Å; I604-D669 HydrophobicContact CG2-CB 3.85Å; R666-D669 PolarHBondContact N-OD2 2.88Å; R666-D669 VanDerWaalsContact O-CB 3.28Å; R666-D669 WeakPolarHBondContact O-CB 3.45Å; R666-D669 VanDerWaalsContact O-CG 3.3Å; R666-D669 PolarHBondContact O-N 2.95Å; D669-V671 PolarHBondContact O-N 3.43Å
670P93.8Very high83.9Confident44 Ų4453 Ų5329%0.28631%0.309SS..EExtended strand (participates in β ladder)trans-67.3135.4176.529-34.8000109.8V438 F439 I604 G605 Y672V438-P670 HydrophobicContact CG1-CB 3.46Å; V438-P670 VanDerWaalsContact CG1-CB 3.46Å; F439-P670 WeakPolarHBondContact O-CA 3.32Å; I604-P670 WeakPolarHBondContact CA-O 3.36Å; G605-P670 PolarHBondContact N-O 3.16Å; P670-Y672 HydrophobicContact CB-CE2 3.74Å; P670-Y672 HydrophobicContact CG-CE2 4.04Å
671V94.7Very high85.9Confident0 Ų051.4 Ų51.40%030%0.303CS..EExtended strand (participates in β ladder)trans-113.4130.5-179.5175.60000109.3F439 L441 I588 W599 V602 K603 I604 D669F439-V671 HydrophobicContact CB-CB 3.93Å; F439-V671 HydrophobicContact CB-CG1 4.29Å; F439-V671 WeakPolarHBondContact CD2-O 3.47Å; F439-V671 PolarHBondContact N-O 3.18Å; F439-V671 PolarHBondContact O-N 2.9Å; L441-V671 HydrophobicContact CB-CG2 3.96Å; I588-V671 HydrophobicContact CG2-CG1 4.12Å; I588-V671 HydrophobicContact CG2-CG2 4.13Å; W599-V671 HydrophobicContact CZ3-CG1 4.35Å; V602-V671 HydrophobicContact CG1-CG1 3.84Å; K603-V671 CarbonylContact O-C 3.57Å; K603-V671 VanDerWaalsContact O-CA 3.29Å; K603-V671 WeakPolarHBondContact O-CA 3.45Å; I604-V671 HydrophobicContact CB-CG2 4.42Å; I604-V671 HydrophobicContact CG1-CG1 4.48Å; I604-V671 HydrophobicContact CG1-CG2 4.07Å; I604-V671 HydrophobicContact CG2-CG2 4.02Å; D669-V671 PolarHBondContact O-N 3.43Å
672Y91.1Very high88.3Confident93 Ų9346.2 Ų46.237%0.36527%0.27SS..EExtended strand (participates in β ladder)trans-123.5116.4177.9-53.4-95.7000109V438 V602 K603 P670V438-Y672 HydrophobicContact CB-CE1 4.35Å; V438-Y672 HydrophobicContact CG1-CE1 4.16Å; V438-Y672 HydrophobicContact CG2-CD1 4.32Å; V438-Y672 HydrophobicContact CG2-CE1 3.55Å; V602-Y672 WeakPolarHBondContact CA-O 3.37Å; K603-Y672 HydrophobicContact CB-CD2 4.22Å; K603-Y672 HydrophobicContact CD-CD2 4.47Å; K603-Y672 PolarHBondContact N-O 2.96Å; K603-Y672 PolarHBondContact O-N 3.08Å; P670-Y672 HydrophobicContact CB-CE2 3.74Å; P670-Y672 HydrophobicContact CG-CE2 4.04Å
673G88.2Confident90.7Very high10 Ų1045.5 Ų45.510%0.10325%0.247CC..EExtended strand (participates in β ladder)trans-80.3133.8167.900000110.7W599W599-G673 VanDerWaalsContact CD2-CA 3.44Å
674I85.3Confident91.9Very high70 Ų7048.3 Ų48.336%0.35926%0.257SS..EExtended strand (participates in β ladder)trans-119.6117.9178-55.7168.7000106.8W599 N600 Q601 L608W599-I674 CarbonylContact C-O 3.55Å; N600-I674 PolarHBondContact N-O 2.67Å; Q601-I674 HydrophobicContact CB-CB 4.05Å; Q601-I674 HydrophobicContact CB-CD1 4.03Å; Q601-I674 PolarHBondContact N-O 3.39Å; Q601-I674 PolarHBondContact O-N 3.46Å; L608-I674 HydrophobicContact CD1-CD1 4.11Å
675V82.5Confident92.1Very high82 Ų8247.6 Ų47.650%0.49725%0.254SS..  trans-96.70177.4-176.80000110.5L434 N600L434-V675 HydrophobicContact CD1-CB 3.41Å; L434-V675 VanDerWaalsContact CD1-CB 3.41Å; L434-V675 HydrophobicContact CD1-CG1 4.26Å; L434-V675 HydrophobicContact CD1-CG2 3.31Å; L434-V675 HydrophobicContact CD2-CG2 4.12Å; L434-V675 HydrophobicContact CG-CG2 4.38Å; N600-V675 PolarHBondContact ND2-OXT 3.27Å

Retrieved 675 of 675 residues in 904.3 ms (Link to these results)

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