A0A093HXV3_STRCA Loading...

Volume-regulated anion channel subunit LRRC8A

AlphaFold DB , UniProt , Accession A0A093HXV3, Species STRCA (Struthio camelus australis), Gene n/a, Length 810 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
1M49.4Very low56.6Low216 Ų216107.9 Ų107.9100%1.06453%0.526SS*.  01090-155.1173.8-174.700106.1P3 T44M1-P3 WeakPolarHBondContact O-CD 3.42Å; M1-T44 HydrophobicContact CE-CG2 4.48Å
2I55.3Low56.4Low108 Ų108108.2 Ų108.255%0.55453%0.532SS*.  trans-90.3115.1-178.3-58172.2000106.8L7I2-L7 HydrophobicContact CG2-CD1 3.92Å; I2-L7 HydrophobicContact CG2-CG 4.17Å
3P60.5Low56.8Low61 Ų61102.5 Ų102.540%0.39651%0.507SS..  trans-68.3137.6179.229.6-33.8000109.7M1 T5 E6M1-P3 WeakPolarHBondContact O-CD 3.42Å; P3-T5 PolarHBondContact O-N 3.25Å; P3-E6 HydrophobicContact CG-CB 4.36Å; P3-E6 HydrophobicContact CG-CG 3.97Å; P3-E6 PolarHBondContact O-N 3.11Å
4V59.1Low57.2Low63 Ų63102.4 Ų102.438%0.38250%0.504SS..Hα-helixtrans-55.3-24.7179.3179.40000111.9L7 R8 V40V4-L7 PolarHBondContact O-N 3.06Å; V4-R8 PolarHBondContact O-N 3.34Å; V4-V40 HydrophobicContact CG2-CB 4.47Å; V4-V40 HydrophobicContact CG2-CG1 4.07Å; V4-V40 HydrophobicContact CG2-CG2 4.43Å
5T59.2Low57.5Low101 Ų101102.1 Ų102.162%0.6251%0.513SS*.Hα-helixtrans-64.9-35.7176.549.50000113.7P3 L7 R8P3-T5 PolarHBondContact O-N 3.25Å; T5-L7 VanDerWaalsContact C-N 3.34Å; T5-R8 VanDerWaalsContact O-CB 3.3Å; T5-R8 WeakPolarHBondContact O-CB 3.14Å; T5-R8 PolarHBondContact O-N 3.4Å
6E59.2Low57.8Low131 Ų13198 Ų9861%0.61250%0.5SS*.Hα-helixtrans-72.2-30.5176.9-78.3-170.7-177.100112.2P3 R8 Y9P3-E6 HydrophobicContact CG-CB 4.36Å; P3-E6 HydrophobicContact CG-CG 3.97Å; P3-E6 PolarHBondContact O-N 3.11Å; E6-R8 VanDerWaalsContact C-N 3.29Å; E6-R8 PolarHBondContact O-N 3.27Å; E6-Y9 WeakPolarHBondContact O-CB 3.43Å; E6-Y9 PolarHBondContact O-N 2.98Å
7L57.9Low58.9Low23 Ų2392.8 Ų92.812%0.1247%0.473CS..Hα-helixtrans-75.8-18.6175.4-71.4155.9000112.7I2 V4 T5 Y9 F10 L36 V40 L134I2-L7 HydrophobicContact CG2-CD1 3.92Å; I2-L7 HydrophobicContact CG2-CG 4.17Å; V4-L7 PolarHBondContact O-N 3.06Å; T5-L7 VanDerWaalsContact C-N 3.34Å; L7-Y9 VanDerWaalsContact C-N 3.26Å; L7-Y9 PolarHBondContact O-N 3.16Å; L7-F10 PolarHBondContact O-N 3.29Å; L7-L36 HydrophobicContact CB-CD2 3.75Å; L7-L36 HydrophobicContact CD1-CD1 4.25Å; L7-L36 HydrophobicContact CD1-CD2 4.19Å; L7-L36 HydrophobicContact CD1-CG 4.5Å; L7-L36 HydrophobicContact CG-CD2 4.48Å; L7-V40 HydrophobicContact CD1-CG2 4.46Å; L7-L134 HydrophobicContact CD2-CD2 4.26Å
8R56.5Low60Low172 Ų17297.2 Ų97.265%0.64948%0.483SS*.Hα-helixtrans-66.3-27.4174.7-155.8177.1-165.9161.54.1112.4V4 T5 E6 F10 A11 D12V4-R8 PolarHBondContact O-N 3.34Å; T5-R8 VanDerWaalsContact O-CB 3.3Å; T5-R8 WeakPolarHBondContact O-CB 3.14Å; T5-R8 PolarHBondContact O-N 3.4Å; E6-R8 VanDerWaalsContact C-N 3.29Å; E6-R8 PolarHBondContact O-N 3.27Å; R8-F10 PolarHBondContact O-N 3.03Å; R8-A11 WeakPolarHBondContact O-CA 3.35Å; R8-A11 WeakPolarHBondContact O-CB 3.28Å; R8-A11 PolarHBondContact O-N 3.1Å; R8-D12 PolarHBondContact O-N 3.38Å
9Y57.3Low61.2Low173 Ų17392.7 Ų92.768%0.67846%0.461SS*.THydrogen-bonded Turntrans-59.9-26.9175.3-171.1-99000113.1E6 L7 A11E6-Y9 WeakPolarHBondContact O-CB 3.43Å; E6-Y9 PolarHBondContact O-N 2.98Å; L7-Y9 VanDerWaalsContact C-N 3.26Å; L7-Y9 PolarHBondContact O-N 3.16Å; Y9-A11 VanDerWaalsContact C-N 3.3Å; Y9-A11 PolarHBondContact O-N 3.46Å
10F54.8Low62.4Low113 Ų11388.2 Ų88.250%0.49644%0.438SS..THydrogen-bonded Turntrans-75.6-18.2174.5-70.9-80.8000113.6L7 R8 L137 N141L7-F10 PolarHBondContact O-N 3.29Å; R8-F10 PolarHBondContact O-N 3.03Å; F10-L137 HydrophobicContact CB-CD2 3.64Å; F10-N141 PolarHBondContact O-ND2 3.39Å
11A53.8Low63.6Low26 Ų2684.8 Ų84.822%0.21542%0.421CS..THydrogen-bonded Turntrans-97.3-15.6178.300000113.4R8 Y9 T13 L137R8-A11 WeakPolarHBondContact O-CA 3.35Å; R8-A11 WeakPolarHBondContact O-CB 3.28Å; R8-A11 PolarHBondContact O-N 3.1Å; Y9-A11 VanDerWaalsContact C-N 3.3Å; Y9-A11 PolarHBondContact O-N 3.46Å; A11-T13 PolarHBondContact O-N 3.39Å; A11-L137 HydrophobicContact CB-CD1 4.27Å
12D53.8Low65.5Low111 Ų11174.5 Ų74.559%0.59437%0.37SS*.  trans-71.2100.8178.1-87.5-22.6000111.3R8R8-D12 PolarHBondContact O-N 3.38Å
13T61.3Low67.2Low35 Ų3575 Ų7522%0.21537%0.365CS..  trans-90.514716551.20000109.9A11 K21 F144A11-T13 PolarHBondContact O-N 3.39Å; T13-K21 PolarHBondContact OG1-NZ 3.19Å; T13-F144 HydrophobicContact CG2-CD2 4.28Å
14Q62.3Low68.7Low100 Ų10072.3 Ų72.347%0.46735%0.347SS..  trans-49.9138173-73.3179.6-2500110.9A16 Y17Q14-A16 PolarHBondContact O-N 2.94Å; Q14-A16 VanDerWaalsContact O-N 3.14Å; Q14-Y17 HydrophobicContact CB-CD2 3.77Å; Q14-Y17 HydrophobicContact CB-CE2 3.91Å; Q14-Y17 HydrophobicContact CG-CE2 4.23Å; Q14-Y17 PolarHBondContact O-N 3.28Å; Q14-Y17 VanDerWaalsContact OE1-CZ 3.28Å; Q14-Y17 PolarHBondContact OE1-OH 3.39Å
15P62.5Low70.1Confident98 Ų9869.8 Ų69.864%0.63633%0.331SS*.G310 helixtrans-61.5-27.4-174.322.8-32.8000113.1Y17 R18P15-Y17 VanDerWaalsContact C-N 3.26Å; P15-Y17 PolarHBondContact O-N 3.21Å; P15-R18 WeakPolarHBondContact O-CB 3.46Å; P15-R18 VanDerWaalsContact O-CG 3.3Å; P15-R18 WeakPolarHBondContact O-CG 3.45Å; P15-R18 PolarHBondContact O-N 3.26Å
16A62.2Low71.5Confident37 Ų3767.5 Ų67.531%0.30632%0.317SS..G310 helixtrans-65.6-25.2177.300000113.4Q14 R18 V157Q14-A16 PolarHBondContact O-N 2.94Å; Q14-A16 VanDerWaalsContact O-N 3.14Å; A16-R18 PolarHBondContact O-N 2.63Å; A16-V157 HydrophobicContact CB-CG1 4Å
17Y76.9Confident73.1Confident9 Ų966.7 Ų66.74%0.03531%0.312CS..G310 helixtrans-78.8-2.5178.6-63.6-39.6000114.3Q14 P15 I19 L20 F144 L153 V157Q14-Y17 HydrophobicContact CB-CD2 3.77Å; Q14-Y17 HydrophobicContact CB-CE2 3.91Å; Q14-Y17 HydrophobicContact CG-CE2 4.23Å; Q14-Y17 PolarHBondContact O-N 3.28Å; Q14-Y17 VanDerWaalsContact OE1-CZ 3.28Å; Q14-Y17 PolarHBondContact OE1-OH 3.39Å; P15-Y17 VanDerWaalsContact C-N 3.26Å; P15-Y17 PolarHBondContact O-N 3.21Å; Y17-I19 PolarHBondContact O-N 2.98Å; Y17-L20 HydrophobicContact CD1-CD1 4.11Å; Y17-L20 PolarHBondContact O-N 3.25Å; Y17-F144 HydrophobicContact CD1-CD1 4.42Å; Y17-F144 HydrophobicContact CD1-CE1 4.37Å; Y17-F144 AromaticContact CD2-CD1 3.85Å; Y17-F144 HydrophobicContact CD2-CD1 3.85Å; Y17-F144 HydrophobicContact CD2-CE1 4.33Å; Y17-F144 HydrophobicContact CE2-CD1 4.39Å; Y17-F144 AromaticContact CG-CD1 3.89Å; Y17-F144 HydrophobicContact CG-CD1 3.89Å; Y17-F144 AromaticContact CG-CE1 3.92Å; Y17-F144 HydrophobicContact CG-CE1 3.92Å; Y17-L153 HydrophobicContact CE1-CB 4.31Å; Y17-V157 HydrophobicContact CD1-CG2 4.23Å; Y17-V157 HydrophobicContact CE1-CG2 4.47Å
18R77.9Confident74.6Confident172 Ų17265.7 Ų65.765%0.64931%0.307SS*.G310 helixtrans-57.6-33.2174.3-72.7179.8178.8-175.61.3112.4P15 A16 L20 K21P15-R18 WeakPolarHBondContact O-CB 3.46Å; P15-R18 VanDerWaalsContact O-CG 3.3Å; P15-R18 WeakPolarHBondContact O-CG 3.45Å; P15-R18 PolarHBondContact O-N 3.26Å; A16-R18 PolarHBondContact O-N 2.63Å; R18-L20 PolarHBondContact O-N 3.25Å; R18-K21 PolarHBondContact O-N 3.11Å; R18-K21 VanDerWaalsContact O-N 3.14Å
19I83.3Confident76.1Confident13 Ų1358.9 Ų58.97%0.06728%0.283CS..G310 helixtrans-64.9-23.7179.3-56.5167.7000111.7Y17 L160 L161 I379 Y382 Y386Y17-I19 PolarHBondContact O-N 2.98Å; I19-L160 HydrophobicContact CG2-CD2 3.99Å; I19-L161 HydrophobicContact CD1-CD2 3.77Å; I19-L161 HydrophobicContact CD1-CG 4.45Å; I19-I379 HydrophobicContact CG2-CG2 3.7Å; I19-Y382 HydrophobicContact CG1-CE1 4.41Å; I19-Y382 HydrophobicContact CG2-CD1 4.08Å; I19-Y382 HydrophobicContact CG2-CE1 4.37Å; I19-Y386 HydrophobicContact CG2-CD2 4.48Å; I19-Y386 HydrophobicContact CG2-CE2 4.33Å
20L85.2Confident77.6Confident1 Ų158.1 Ų58.11%0.00528%0.28CS..G310 helixtrans-95.32179.7-66.2174.1000113.5Y17 R18 P22 W143 F144 L153 F156 V157 I379Y17-L20 HydrophobicContact CD1-CD1 4.11Å; Y17-L20 PolarHBondContact O-N 3.25Å; R18-L20 PolarHBondContact O-N 3.25Å; L20-P22 WeakPolarHBondContact O-CD 3.42Å; L20-W143 HydrophobicContact CB-CH2 4.46Å; L20-F144 HydrophobicContact CB-CE1 4.46Å; L20-F144 HydrophobicContact CD1-CE1 4.48Å; L20-L153 HydrophobicContact CD1-CB 4.27Å; L20-L153 HydrophobicContact CD1-CD2 3.85Å; L20-F156 HydrophobicContact CD2-CD1 4.13Å; L20-F156 HydrophobicContact CD2-CE1 4.06Å; L20-V157 HydrophobicContact CD1-CG2 3.62Å; L20-V157 HydrophobicContact CG-CG2 4.01Å; L20-I379 HydrophobicContact CD2-CG1 4.15Å
21K86.9Confident79.4Confident17 Ų1753.6 Ų53.67%0.07426%0.261CS..  trans-104.7103.2178.8-72-169.2172.3-172.20110T13 R18 D25 V26 D29 F144T13-K21 PolarHBondContact OG1-NZ 3.19Å; R18-K21 PolarHBondContact O-N 3.11Å; R18-K21 VanDerWaalsContact O-N 3.14Å; K21-D25 HydrophobicContact CB-CB 4.29Å; K21-D25 HydrophobicContact CG-CB 4.44Å; K21-V26 HydrophobicContact CB-CG2 4.18Å; K21-D29 IonicContact NZ-OD2 2.72Å; K21-D29 PolarHBondContact NZ-OD2 3.46Å; K21-F144 HydrophobicContact CG-CE2 4.46Å; K21-F144 HydrophobicContact CG-CZ 4.14Å
22P89.1Confident81.1Confident1 Ų152.5 Ų52.51%0.00625%0.252CS..  trans-64.6169.8170-21.635.4000111.5L20 W24 D25 V26 L378 Q381L20-P22 WeakPolarHBondContact O-CD 3.42Å; P22-W24 HydrophobicContact CB-CD2 4.16Å; P22-W24 HydrophobicContact CB-CG 4.26Å; P22-W24 HydrophobicContact CB-CZ2 4.15Å; P22-W24 HydrophobicContact CG-CZ2 3.74Å; P22-W24 PolarHBondContact O-N 2.98Å; P22-W24 VanDerWaalsContact O-N 3.1Å; P22-D25 PolarHBondContact O-N 2.96Å; P22-D25 VanDerWaalsContact O-N 3.11Å; P22-V26 PolarHBondContact O-N 3.3Å; P22-L378 HydrophobicContact CG-CD2 4.1Å; P22-Q381 HydrophobicContact CB-CB 4.43Å
23W91.1Very high82.7Confident118 Ų11850.4 Ų50.445%0.44724%0.24SC..Hα-helixtrans-51.2-41.4-178.163.3-94.5000113D25 V26 F27 Y338W23-D25 PolarHBondContact O-N 3.47Å; W23-V26 WeakPolarHBondContact O-CB 3.21Å; W23-V26 PolarHBondContact O-N 3.09Å; W23-F27 AromaticContact CE3-CD2 3.94Å; W23-F27 HydrophobicContact CE3-CD2 3.94Å; W23-F27 HydrophobicContact CE3-CE2 4.3Å; W23-F27 VanDerWaalsContact O-CD2 3.23Å; W23-F27 WeakPolarHBondContact O-CD2 3.17Å; W23-F27 PolarHBondContact O-N 3.26Å; W23-Y338 AromaticContact CH2-CD1 3.9Å; W23-Y338 HydrophobicContact CH2-CD1 3.9Å; W23-Y338 AromaticContact CH2-CE1 3.81Å; W23-Y338 HydrophobicContact CH2-CE1 3.81Å; W23-Y338 AromaticContact CZ2-CD1 3.88Å; W23-Y338 HydrophobicContact CZ2-CD1 3.88Å; W23-Y338 AromaticContact CZ2-CE1 3.29Å; W23-Y338 HydrophobicContact CZ2-CE1 3.29Å; W23-Y338 AromaticContact CZ2-CZ 3.71Å
24W91.9Very high84.1Confident5 Ų551.3 Ų51.32%0.01925%0.245CC..Hα-helixtrans-66.7-37.3-176.843.4-94.1000113.3P22 V26 F27 T28 Y264 I335 T339 W342 L378P22-W24 HydrophobicContact CB-CD2 4.16Å; P22-W24 HydrophobicContact CB-CG 4.26Å; P22-W24 HydrophobicContact CB-CZ2 4.15Å; P22-W24 HydrophobicContact CG-CZ2 3.74Å; P22-W24 PolarHBondContact O-N 2.98Å; P22-W24 VanDerWaalsContact O-N 3.1Å; W24-V26 VanDerWaalsContact C-N 3.34Å; W24-F27 PolarHBondContact O-N 3.44Å; W24-T28 WeakPolarHBondContact O-CG2 3.33Å; W24-T28 PolarHBondContact O-N 3.39Å; W24-T28 PolarHBondContact O-OG1 2.98Å; W24-Y264 AromaticContact CH2-CE1 3.39Å; W24-Y264 HydrophobicContact CH2-CE1 3.39Å; W24-Y264 AromaticContact CH2-CZ 3.37Å; W24-Y264 WeakPolarHBondContact CH2-OH 3.39Å; W24-Y264 AromaticContact CZ3-CE1 3.81Å; W24-Y264 HydrophobicContact CZ3-CE1 3.81Å; W24-Y264 AromaticContact CZ3-CZ 3.67Å; W24-Y264 WeakPolarHBondContact CZ3-OH 3.29Å; W24-I335 HydrophobicContact CB-CG2 3.62Å; W24-T339 HydrophobicContact CB-CG2 3.76Å; W24-T339 HydrophobicContact CD2-CG2 3.26Å; W24-T339 HydrophobicContact CE3-CG2 3.14Å; W24-T339 HydrophobicContact CG-CG2 3.54Å; W24-T339 HydrophobicContact CH2-CG2 4.16Å; W24-T339 HydrophobicContact CZ2-CG2 4.37Å; W24-T339 HydrophobicContact CZ3-CG2 3.54Å; W24-W342 HydrophobicContact CZ2-CZ3 4.33Å; W24-L378 HydrophobicContact CZ2-CD2 4.37Å
25D88.9Confident85.5Confident9 Ų946.5 Ų46.55%0.04822%0.223CC..Hα-helixtrans-64.4-42.5172.9-87.5-23.2000110.6K21 P22 W23 F27 T28 D29 Y264K21-D25 HydrophobicContact CB-CB 4.29Å; K21-D25 HydrophobicContact CG-CB 4.44Å; P22-D25 PolarHBondContact O-N 2.96Å; P22-D25 VanDerWaalsContact O-N 3.11Å; W23-D25 PolarHBondContact O-N 3.47Å; D25-F27 PolarHBondContact O-N 3.13Å; D25-T28 WeakPolarHBondContact CA-OG1 3.41Å; D25-T28 PolarHBondContact O-N 3.4Å; D25-T28 PolarHBondContact O-OG1 3.39Å; D25-D29 PolarHBondContact O-N 3.1Å; D25-Y264 VanDerWaalsContact CG-OH 3.22Å; D25-Y264 PolarHBondContact OD1-OH 3.38Å; D25-Y264 VanDerWaalsContact OD1-OH 3.1Å; D25-Y264 PolarHBondContact OD2-OH 2.83Å
26V89.8Confident86.9Confident54 Ų5442.6 Ų42.633%0.32720%0.197SC..Hα-helixtrans-58.7-46.2175.9177.70000111.1K21 P22 W23 W24 T28 D29 Y30K21-V26 HydrophobicContact CB-CG2 4.18Å; P22-V26 PolarHBondContact O-N 3.3Å; W23-V26 WeakPolarHBondContact O-CB 3.21Å; W23-V26 PolarHBondContact O-N 3.09Å; W24-V26 VanDerWaalsContact C-N 3.34Å; V26-T28 PolarHBondContact O-N 3.39Å; V26-D29 PolarHBondContact O-N 3.5Å; V26-Y30 HydrophobicContact CG1-CD2 3.95Å; V26-Y30 HydrophobicContact CG1-CE2 3.55Å; V26-Y30 WeakPolarHBondContact O-CD2 3.29Å; V26-Y30 PolarHBondContact O-N 3.32Å
27F91.3Very high88.2Confident113 Ų11346 Ų4650%0.49621%0.207SC..Hα-helixtrans-63.1-41.3175.8-86.5-86.8000112.3W23 W24 D25 D29 Y30 I31 I335W23-F27 AromaticContact CE3-CD2 3.94Å; W23-F27 HydrophobicContact CE3-CD2 3.94Å; W23-F27 HydrophobicContact CE3-CE2 4.3Å; W23-F27 VanDerWaalsContact O-CD2 3.23Å; W23-F27 WeakPolarHBondContact O-CD2 3.17Å; W23-F27 PolarHBondContact O-N 3.26Å; W24-F27 PolarHBondContact O-N 3.44Å; D25-F27 PolarHBondContact O-N 3.13Å; F27-D29 VanDerWaalsContact C-N 3.29Å; F27-D29 PolarHBondContact O-N 3.43Å; F27-Y30 PolarHBondContact O-N 3.13Å; F27-I31 VanDerWaalsContact O-CG1 3.29Å; F27-I31 WeakPolarHBondContact O-CG1 3.46Å; F27-I31 PolarHBondContact O-N 2.74Å; F27-I335 HydrophobicContact CB-CD1 3.94Å
28T90.3Very high88.8Confident2 Ų246.1 Ų46.11%0.01221%0.209CC..Hα-helixtrans-64.1-33.4178.360.70000113W24 D25 V26 S32 Y332 I335W24-T28 WeakPolarHBondContact O-CG2 3.33Å; W24-T28 PolarHBondContact O-N 3.39Å; W24-T28 PolarHBondContact O-OG1 2.98Å; D25-T28 WeakPolarHBondContact CA-OG1 3.41Å; D25-T28 PolarHBondContact O-N 3.4Å; D25-T28 PolarHBondContact O-OG1 3.39Å; V26-T28 PolarHBondContact O-N 3.39Å; T28-S32 WeakPolarHBondContact O-CB 3.07Å; T28-S32 PolarHBondContact O-N 2.84Å; T28-S32 PolarHBondContact O-OG 3.35Å; T28-Y332 HydrophobicContact CG2-CD2 4.11Å; T28-Y332 HydrophobicContact CG2-CE2 3.79Å; T28-I335 HydrophobicContact CG2-CG2 3.98Å
29D87.1Confident89.5Confident29 Ų2938.1 Ų38.116%0.15518%0.179CC..Hα-helixtrans-64.9-47.8175-75.4-17.6000110.9K21 D25 V26 F27 S32 I33K21-D29 IonicContact NZ-OD2 2.72Å; K21-D29 PolarHBondContact NZ-OD2 3.46Å; D25-D29 PolarHBondContact O-N 3.1Å; V26-D29 PolarHBondContact O-N 3.5Å; F27-D29 VanDerWaalsContact C-N 3.29Å; F27-D29 PolarHBondContact O-N 3.43Å; D29-S32 PolarHBondContact O-N 2.9Å; D29-I33 WeakPolarHBondContact O-CG1 3.39Å; D29-I33 PolarHBondContact O-N 3.06Å
30Y89.5Confident89.8Confident158 Ų15839.2 Ų39.262%0.6219%0.187SC*.Hα-helixtrans-64.4-43.3177.8-73.7-66.2000112.9V26 F27 S32 I33 V34V26-Y30 HydrophobicContact CG1-CD2 3.95Å; V26-Y30 HydrophobicContact CG1-CE2 3.55Å; V26-Y30 WeakPolarHBondContact O-CD2 3.29Å; V26-Y30 PolarHBondContact O-N 3.32Å; F27-Y30 PolarHBondContact O-N 3.13Å; Y30-S32 VanDerWaalsContact C-N 3.28Å; Y30-S32 PolarHBondContact O-N 3.13Å; Y30-I33 WeakPolarHBondContact O-CB 3.34Å; Y30-I33 PolarHBondContact O-N 3Å; Y30-V34 WeakPolarHBondContact O-CG2 3.44Å; Y30-V34 PolarHBondContact O-N 2.94Å; Y30-V34 VanDerWaalsContact O-N 3.08Å
31I91.8Very high90.1Very high17 Ų1744.1 Ų44.19%0.08721%0.208CC..Hα-helixtrans-62.1-40.4177.2-65.7165000110.3F27 I33 V34 M35 L328 V331 Y332 I335F27-I31 VanDerWaalsContact O-CG1 3.29Å; F27-I31 WeakPolarHBondContact O-CG1 3.46Å; F27-I31 PolarHBondContact O-N 2.74Å; I31-I33 VanDerWaalsContact C-N 3.32Å; I31-I33 PolarHBondContact O-N 3.09Å; I31-V34 PolarHBondContact O-N 2.74Å; I31-M35 HydrophobicContact CG2-CG 4.29Å; I31-M35 HydrophobicContact CG2-SD 3.86Å; I31-M35 VanDerWaalsContact O-CG 3.28Å; I31-M35 WeakPolarHBondContact O-CG 3.33Å; I31-M35 PolarHBondContact O-N 3.49Å; I31-L328 HydrophobicContact CG2-CD2 4.5Å; I31-V331 HydrophobicContact CD1-CG1 3.92Å; I31-Y332 HydrophobicContact CB-CD2 4.3Å; I31-Y332 HydrophobicContact CG2-CD2 4.03Å; I31-I335 HydrophobicContact CD1-CD1 3.68Å
32S90Very high90.3Very high3 Ų343.3 Ų43.32%0.02120%0.204CC..Hα-helixtrans-62.5-37.9176.7-57.80000112.1T28 D29 Y30 M35 L36 T133T28-S32 WeakPolarHBondContact O-CB 3.07Å; T28-S32 PolarHBondContact O-N 2.84Å; T28-S32 PolarHBondContact O-OG 3.35Å; D29-S32 PolarHBondContact O-N 2.9Å; Y30-S32 VanDerWaalsContact C-N 3.28Å; Y30-S32 PolarHBondContact O-N 3.13Å; S32-M35 PolarHBondContact O-N 3.37Å; S32-L36 WeakPolarHBondContact O-CB 3.3Å; S32-L36 PolarHBondContact O-N 3.48Å; S32-T133 WeakPolarHBondContact O-CG2 3.38Å
33I88.2Confident90.3Very high67 Ų6743.9 Ų43.934%0.34421%0.21SC..Hα-helixtrans-63.5-44.4174.4-66.6165.9000110.7D29 Y30 I31 L36 M37D29-I33 WeakPolarHBondContact O-CG1 3.39Å; D29-I33 PolarHBondContact O-N 3.06Å; Y30-I33 WeakPolarHBondContact O-CB 3.34Å; Y30-I33 PolarHBondContact O-N 3Å; I31-I33 VanDerWaalsContact C-N 3.32Å; I31-I33 PolarHBondContact O-N 3.09Å; I33-L36 WeakPolarHBondContact O-CB 3.44Å; I33-L36 PolarHBondContact O-N 2.82Å; I33-M37 HydrophobicContact CG2-SD 4.48Å; I33-M37 WeakPolarHBondContact O-CG 3.44Å; I33-M37 PolarHBondContact O-N 2.94Å
34V90.8Very high90.2Very high54 Ų5440.8 Ų40.833%0.32720%0.204SC..Hα-helixtrans-64-42.4177.4179.50000111.1Y30 I31 L36 M37 I38 F324 L328Y30-V34 WeakPolarHBondContact O-CG2 3.44Å; Y30-V34 PolarHBondContact O-N 2.94Å; Y30-V34 VanDerWaalsContact O-N 3.08Å; I31-V34 PolarHBondContact O-N 2.74Å; V34-L36 VanDerWaalsContact C-N 3.27Å; V34-L36 PolarHBondContact O-N 3.03Å; V34-M37 WeakPolarHBondContact O-CB 3.46Å; V34-M37 PolarHBondContact O-N 2.77Å; V34-I38 HydrophobicContact CG1-CD1 4.42Å; V34-I38 WeakPolarHBondContact O-CG1 3.39Å; V34-I38 PolarHBondContact O-N 3.13Å; V34-F324 HydrophobicContact CG1-CE1 4.25Å; V34-F324 HydrophobicContact CG1-CZ 4.45Å; V34-L328 HydrophobicContact CB-CD1 4.49Å; V34-L328 HydrophobicContact CG1-CD1 3.67Å; V34-L328 HydrophobicContact CG1-CD2 4.34Å
35M91.7Very high90.1Very high0 Ų041.6 Ų41.60%021%0.209CC..Hα-helixtrans-61-37.2174.8-66.8166.968.700111.8I31 S32 I38 A39 T133 F136 Y325 L328 V329I31-M35 HydrophobicContact CG2-CG 4.29Å; I31-M35 HydrophobicContact CG2-SD 3.86Å; I31-M35 VanDerWaalsContact O-CG 3.28Å; I31-M35 WeakPolarHBondContact O-CG 3.33Å; I31-M35 PolarHBondContact O-N 3.49Å; S32-M35 PolarHBondContact O-N 3.37Å; M35-I38 PolarHBondContact O-N 3.06Å; M35-A39 PolarHBondContact O-N 3.29Å; M35-A39 VanDerWaalsContact O-N 3.08Å; M35-T133 HydrophobicContact CB-CG2 4.2Å; M35-T133 WeakPolarHBondContact CB-OG1 3.31Å; M35-F136 HydrophobicContact CE-CD2 3.84Å; M35-F136 HydrophobicContact CE-CE2 3.89Å; M35-Y325 HydrophobicContact CB-CE2 4.4Å; M35-Y325 HydrophobicContact CE-CD2 4.41Å; M35-Y325 HydrophobicContact CE-CE2 3.43Å; M35-Y325 VanDerWaalsContact CE-CE2 3.43Å; M35-Y325 HydrophobicContact CG-CD2 4.4Å; M35-Y325 HydrophobicContact CG-CE2 4.21Å; M35-L328 HydrophobicContact CG-CB 4.37Å; M35-L328 HydrophobicContact CG-CD1 4.48Å; M35-V329 HydrophobicContact CE-CG2 3.68Å
36L90.4Very high90.1Very high16 Ų1642 Ų428%0.08421%0.211CC..Hα-helixtrans-65.5-42.6174.9-170.865.4000111.6L7 S32 I33 V34 I38 A39 V40 L130 T133L7-L36 HydrophobicContact CB-CD2 3.75Å; L7-L36 HydrophobicContact CD1-CD1 4.25Å; L7-L36 HydrophobicContact CD1-CD2 4.19Å; L7-L36 HydrophobicContact CD1-CG 4.5Å; L7-L36 HydrophobicContact CG-CD2 4.48Å; S32-L36 WeakPolarHBondContact O-CB 3.3Å; S32-L36 PolarHBondContact O-N 3.48Å; I33-L36 WeakPolarHBondContact O-CB 3.44Å; I33-L36 PolarHBondContact O-N 2.82Å; V34-L36 VanDerWaalsContact C-N 3.27Å; V34-L36 PolarHBondContact O-N 3.03Å; L36-I38 VanDerWaalsContact C-N 3.32Å; L36-I38 PolarHBondContact O-N 3.46Å; L36-A39 WeakPolarHBondContact O-CB 3.32Å; L36-A39 PolarHBondContact O-N 3.05Å; L36-V40 HydrophobicContact CG-CG2 4.48Å; L36-V40 WeakPolarHBondContact O-CG2 3.38Å; L36-V40 PolarHBondContact O-N 3.19Å; L36-L130 HydrophobicContact CD1-CD1 3.44Å; L36-L130 VanDerWaalsContact CD1-CD1 3.44Å; L36-T133 HydrophobicContact CB-CG2 3.86Å; L36-T133 HydrophobicContact CD1-CG2 4.21Å
37M89.4Confident90Very high108 Ų10844.5 Ų44.553%0.53223%0.226SC..Hα-helixtrans-59.7-42.7176.9-70.5178.368.100111.6I33 V34 V40 F41I33-M37 HydrophobicContact CG2-SD 4.48Å; I33-M37 WeakPolarHBondContact O-CG 3.44Å; I33-M37 PolarHBondContact O-N 2.94Å; V34-M37 WeakPolarHBondContact O-CB 3.46Å; V34-M37 PolarHBondContact O-N 2.77Å; M37-V40 PolarHBondContact O-N 3.21Å; M37-F41 WeakPolarHBondContact O-CB 3.29Å; M37-F41 PolarHBondContact O-N 3Å
38I91.3Very high89.7Confident12 Ų1243.3 Ų43.36%0.06223%0.228CC..Hα-helixtrans-62.1-44175-64.3163.7000110.9V34 M35 L36 F41 G42 L321 F324 L328V34-I38 HydrophobicContact CG1-CD1 4.42Å; V34-I38 WeakPolarHBondContact O-CG1 3.39Å; V34-I38 PolarHBondContact O-N 3.13Å; M35-I38 PolarHBondContact O-N 3.06Å; L36-I38 VanDerWaalsContact C-N 3.32Å; L36-I38 PolarHBondContact O-N 3.46Å; I38-F41 PolarHBondContact O-N 3.18Å; I38-G42 PolarHBondContact O-N 3.32Å; I38-L321 HydrophobicContact CG2-CB 4.47Å; I38-L321 HydrophobicContact CG2-CD2 4.4Å; I38-F324 HydrophobicContact CD1-CD1 3.38Å; I38-F324 HydrophobicContact CD1-CE1 3.55Å; I38-F324 HydrophobicContact CG1-CD1 4.07Å; I38-F324 HydrophobicContact CG1-CE1 4.16Å; I38-L328 HydrophobicContact CD1-CD1 3.35Å
39A91.7Very high89.3Confident4 Ų448.7 Ų48.73%0.03325%0.253CS..Hα-helixtrans-59.8-48.4179.300000111.8M35 L36 G43 V129 L130M35-A39 PolarHBondContact O-N 3.29Å; M35-A39 VanDerWaalsContact O-N 3.08Å; L36-A39 WeakPolarHBondContact O-CB 3.32Å; L36-A39 PolarHBondContact O-N 3.05Å; A39-G43 PolarHBondContact O-N 3.35Å; A39-V129 HydrophobicContact CB-CB 4.12Å; A39-V129 HydrophobicContact CB-CG1 3.69Å; A39-L130 HydrophobicContact CB-CB 3.87Å; A39-L130 HydrophobicContact CB-CD1 4.34Å
40V90.2Very high88.6Confident36 Ų3648.6 Ų48.622%0.21825%0.252CS..Hα-helixtrans-68.3-42-178.8174.20000110.8V4 L7 L36 M37 T44V4-V40 HydrophobicContact CG2-CB 4.47Å; V4-V40 HydrophobicContact CG2-CG1 4.07Å; V4-V40 HydrophobicContact CG2-CG2 4.43Å; L7-V40 HydrophobicContact CD1-CG2 4.46Å; L36-V40 HydrophobicContact CG-CG2 4.48Å; L36-V40 WeakPolarHBondContact O-CG2 3.38Å; L36-V40 PolarHBondContact O-N 3.19Å; M37-V40 PolarHBondContact O-N 3.21Å; V40-T44 WeakPolarHBondContact O-CB 3.44Å; V40-T44 PolarHBondContact O-N 3.11Å; V40-T44 PolarHBondContact O-OG1 2.78Å
41F91Very high88.1Confident104 Ų10448.6 Ų48.646%0.45626%0.255SS..Hα-helixtrans-62.5-51.7176.6178.6-108.4000111.5M37 I38 G43 T44 L45 L321M37-F41 WeakPolarHBondContact O-CB 3.29Å; M37-F41 PolarHBondContact O-N 3Å; I38-F41 PolarHBondContact O-N 3.18Å; F41-G43 PolarHBondContact O-N 2.9Å; F41-T44 PolarHBondContact O-N 3.41Å; F41-L45 HydrophobicContact CD1-CD1 3.92Å; F41-L45 HydrophobicContact CD2-CD1 4.45Å; F41-L45 HydrophobicContact CE1-CD1 3.41Å; F41-L45 VanDerWaalsContact CE1-CD1 3.41Å; F41-L45 HydrophobicContact CE2-CD1 4Å; F41-L45 HydrophobicContact CE2-CG 4.43Å; F41-L45 HydrophobicContact CG-CD1 4.42Å; F41-L45 HydrophobicContact CZ-CD1 3.47Å; F41-L45 VanDerWaalsContact CZ-CD1 3.47Å; F41-L45 HydrophobicContact CZ-CG 4.34Å; F41-L45 WeakPolarHBondContact O-CG 3.38Å; F41-L45 PolarHBondContact O-N 3.05Å; F41-L321 HydrophobicContact CD1-CD1 4.02Å; F41-L321 HydrophobicContact CD1-CD2 4.1Å; F41-L321 HydrophobicContact CE1-CD1 4.19Å; F41-L321 HydrophobicContact CE1-CD2 4.23Å
42G90.5Very high87.9Confident0 Ų048 Ų480%025%0.253CS..Hα-helixtrans-60.2-43.1177.400000112.3I38 T44 L45 Q46 P126I38-G42 PolarHBondContact O-N 3.32Å; G42-T44 PolarHBondContact O-N 3.25Å; G42-L45 PolarHBondContact O-N 3.47Å; G42-Q46 WeakPolarHBondContact O-CB 3.16Å; G42-Q46 PolarHBondContact O-N 3.28Å; G42-P126 VanDerWaalsContact C-CG 3.43Å
43G90.3Very high88Confident12 Ų1252.4 Ų52.412%0.12428%0.275CS..Hα-helixtrans-67-36.9179.400000112.5A39 F41 Q46 V47A39-G43 PolarHBondContact O-N 3.35Å; F41-G43 PolarHBondContact O-N 2.9Å; G43-Q46 PolarHBondContact O-N 2.79Å; G43-V47 WeakPolarHBondContact O-CG2 3.27Å; G43-V47 PolarHBondContact O-N 2.83Å
44T89.3Confident88.1Confident53 Ų5349.2 Ų49.233%0.32526%0.258SS..Hα-helixtrans-65.2-46.2175.8-57.10000111M1 V40 F41 G42 Q46 V47 T48M1-T44 HydrophobicContact CE-CG2 4.48Å; V40-T44 WeakPolarHBondContact O-CB 3.44Å; V40-T44 PolarHBondContact O-N 3.11Å; V40-T44 PolarHBondContact O-OG1 2.78Å; F41-T44 PolarHBondContact O-N 3.41Å; G42-T44 PolarHBondContact O-N 3.25Å; T44-Q46 VanDerWaalsContact C-N 3.31Å; T44-Q46 PolarHBondContact O-N 2.85Å; T44-V47 PolarHBondContact O-N 3.37Å; T44-T48 HydrophobicContact CG2-CG2 4.49Å; T44-T48 WeakPolarHBondContact O-CB 3.13Å; T44-T48 WeakPolarHBondContact O-CG2 3.37Å; T44-T48 PolarHBondContact O-N 3.44Å; T44-T48 PolarHBondContact O-OG1 3.44Å
45L89Confident88.1Confident22 Ų2250.9 Ų50.912%0.11527%0.265CS..Hα-helixtrans-62.5-40.6176.1-72.9171.1000111.8F41 G42 T48 Q49 L317F41-L45 HydrophobicContact CD1-CD1 3.92Å; F41-L45 HydrophobicContact CD2-CD1 4.45Å; F41-L45 HydrophobicContact CE1-CD1 3.41Å; F41-L45 VanDerWaalsContact CE1-CD1 3.41Å; F41-L45 HydrophobicContact CE2-CD1 4Å; F41-L45 HydrophobicContact CE2-CG 4.43Å; F41-L45 HydrophobicContact CG-CD1 4.42Å; F41-L45 HydrophobicContact CZ-CD1 3.47Å; F41-L45 VanDerWaalsContact CZ-CD1 3.47Å; F41-L45 HydrophobicContact CZ-CG 4.34Å; F41-L45 WeakPolarHBondContact O-CG 3.38Å; F41-L45 PolarHBondContact O-N 3.05Å; G42-L45 PolarHBondContact O-N 3.47Å; L45-T48 PolarHBondContact O-N 3.27Å; L45-Q49 WeakPolarHBondContact O-CA 3.36Å; L45-Q49 WeakPolarHBondContact O-CB 3.18Å; L45-Q49 PolarHBondContact O-N 3.21Å; L45-L317 HydrophobicContact CD1-CD2 3.48Å; L45-L317 VanDerWaalsContact CD1-CD2 3.48Å
46Q88.6Confident88Confident18 Ų1851 Ų518%0.08427%0.266CS..Hα-helixtrans-62.8-45.8177.8-163.6-165.7-27.100112.2G42 G43 T44 T48 D50 K123 F318G42-Q46 WeakPolarHBondContact O-CB 3.16Å; G42-Q46 PolarHBondContact O-N 3.28Å; G43-Q46 PolarHBondContact O-N 2.79Å; T44-Q46 VanDerWaalsContact C-N 3.31Å; T44-Q46 PolarHBondContact O-N 2.85Å; Q46-T48 VanDerWaalsContact C-N 3.33Å; Q46-T48 PolarHBondContact O-N 3.02Å; Q46-D50 HydrophobicContact CG-CB 4.21Å; Q46-D50 WeakPolarHBondContact O-CB 3.38Å; Q46-D50 PolarHBondContact O-N 3.38Å; Q46-K123 PolarHBondContact NE2-O 2.88Å; Q46-K123 PolarHBondContact OE1-O 2.93Å; Q46-F318 HydrophobicContact CB-CZ 3.98Å; Q46-F318 HydrophobicContact CG-CE2 4.38Å; Q46-F318 HydrophobicContact CG-CZ 4.27Å
47V88.1Confident87.7Confident106 Ų10650.5 Ų50.564%0.64226%0.264SS*.Hα-helixtrans-70.4-31.7-178.91740000112.1G43 T44 Y127G43-V47 WeakPolarHBondContact O-CG2 3.27Å; G43-V47 PolarHBondContact O-N 2.83Å; T44-V47 PolarHBondContact O-N 3.37Å; V47-Y127 VanDerWaalsContact CG2-OH 3.27Å; V47-Y127 WeakPolarHBondContact CG2-OH 3.25Å
48T84.6Confident87.2Confident89 Ų8950.1 Ų50.155%0.54626%0.259SS..Hα-helixtrans-95.8-31.4-17256.30000114.4T44 L45 Q46T44-T48 HydrophobicContact CG2-CG2 4.49Å; T44-T48 WeakPolarHBondContact O-CB 3.13Å; T44-T48 WeakPolarHBondContact O-CG2 3.37Å; T44-T48 PolarHBondContact O-N 3.44Å; T44-T48 PolarHBondContact O-OG1 3.44Å; L45-T48 PolarHBondContact O-N 3.27Å; Q46-T48 VanDerWaalsContact C-N 3.33Å; Q46-T48 PolarHBondContact O-N 3.02Å
49Q81.2Confident86.7Confident114 Ų11458 Ų5853%0.53329%0.288SS..Hα-helixtrans-125-0.6-168.3-62.5-170.1-16.500114.5L45 K51 L314L45-Q49 WeakPolarHBondContact O-CA 3.36Å; L45-Q49 WeakPolarHBondContact O-CB 3.18Å; L45-Q49 PolarHBondContact O-N 3.21Å; Q49-K51 VanDerWaalsContact C-N 3.27Å; Q49-K51 PolarHBondContact O-N 3.4Å; Q49-L314 HydrophobicContact CB-CD2 4.48Å
50D72.5Confident85.9Confident28 Ų2861.3 Ų61.315%0.1530%0.304CS..  trans-75.382.5-177.3-159.518.6000111.3Q46 Y114 H312 L314Q46-D50 HydrophobicContact CG-CB 4.21Å; Q46-D50 WeakPolarHBondContact O-CB 3.38Å; Q46-D50 PolarHBondContact O-N 3.38Å; D50-Y114 VanDerWaalsContact OD2-CE2 3.22Å; D50-Y114 WeakPolarHBondContact OD2-CE2 3.49Å; D50-Y114 VanDerWaalsContact OD2-CZ 3.28Å; D50-Y114 PolarHBondContact OD2-OH 3.44Å; D50-H312 IonicContact OD1-CD2 3.72Å; D50-H312 PolarHBondContact OD1-CD2 2.91Å; D50-H312 IonicContact OD1-CE1 2.85Å; D50-H312 IonicContact OD1-NE2 3.98Å; D50-H312 PolarHBondContact OD1-NE2 2.96Å; D50-L314 HydrophobicContact CB-CD1 3.8Å
51K80.2Confident84.9Confident157 Ų15763.7 Ų63.768%0.68332%0.319SS*.  trans-115.9115.3173.2-64.6-176.7-178.8179.60107.8Q49 P313Q49-K51 VanDerWaalsContact C-N 3.27Å; Q49-K51 PolarHBondContact O-N 3.4Å; K51-P313 WeakPolarHBondContact O-CD 3.35Å
52M86.9Confident83.6Confident6 Ų668.8 Ų68.83%0.0334%0.341CS..  trans-86.7136.4167.8-164167.381.200108.5C54 D110 C113 Y114 L118 C310 A311M52-C54 VanDerWaalsContact CE-SG 3.58Å; M52-D110 WeakPolarHBondContact O-CB 2.99Å; M52-C113 HydrophobicContact CE-CB 3.32Å; M52-Y114 HydrophobicContact CB-CD2 4.13Å; M52-Y114 VanDerWaalsContact CE-CA 3.47Å; M52-L118 HydrophobicContact SD-CB 4.43Å; M52-L118 HydrophobicContact SD-CD1 4.5Å; M52-C310 HydrophobicContact CE-CB 3.83Å; M52-C310 HydrophobicContact CG-CB 3.98Å; M52-C310 HydrophobicContact SD-CB 4.02Å; M52-A311 WeakPolarHBondContact CG-O 3.46Å
53I91.7Very high82.4Confident94 Ų9473.4 Ų73.448%0.48237%0.366SS..EExtended strand (participates in β ladder)trans-114.4115.9-177.1-57.6171.3000108.1C310 A311I53-C310 CarbonylContact O-C 3.18Å; I53-C310 VanDerWaalsContact O-CA 3.26Å; I53-C310 WeakPolarHBondContact O-CA 3.13Å; I53-A311 PolarHBondContact N-O 3.36Å; I53-A311 PolarHBondContact O-N 2.81Å
54C91.3Very high81.2Confident0 Ų074.7 Ų74.70%038%0.375CS..EExtended strand (participates in β ladder)trans-113.5132.9-176.9-63.60000111.6M52 V109 D110 C113 C310M52-C54 VanDerWaalsContact CE-SG 3.58Å; C54-V109 HydrophobicContact CB-CG1 3.78Å; C54-D110 WeakPolarHBondContact CA-OD1 3.31Å; C54-D110 VanDerWaalsContact CB-OD1 3.25Å; C54-D110 WeakPolarHBondContact CB-OD1 3.47Å; C54-D110 PolarHBondContact N-OD1 3.21Å; C54-C113 VanDerWaalsContact SG-CB 3.54Å; C54-C310 HydrophobicContact CB-CB 4.1Å; C54-C310 WeakPolarHBondContact CB-SG 3.29Å; C54-C310 WeakPolarHBondContact SG-CB 3.23Å; C54-C310 CovalentContact SG-SG 2.04Å; C54-C310 PolarHBondContact SG-SG 3.05Å
55L90.1Very high80.4Confident90 Ų9073.4 Ų73.447%0.47137%0.368SS..EExtended strand (participates in β ladder)trans-120.1138.9173.2-63.1176.1000110.2Y106 Y308 R309L55-Y106 HydrophobicContact CD2-CD1 4.29Å; L55-Y106 HydrophobicContact CD2-CE1 3.71Å; L55-Y308 CarbonylContact O-C 3.52Å; L55-Y308 VanDerWaalsContact O-CA 3.29Å; L55-Y308 WeakPolarHBondContact O-CA 3.15Å; L55-R309 PolarHBondContact N-O 3.12Å; L55-R309 PolarHBondContact O-N 2.94Å
56P89.1Confident79.4Confident2 Ų277.2 Ų77.21%0.01339%0.389CS..EExtended strand (participates in β ladder)trans-67.1149.9176.528.1-35.1000111.3Y99 L101 Y106 Y305 Y308P56-Y99 HydrophobicContact CB-CD1 4.35Å; P56-Y99 HydrophobicContact CG-CD1 3.56Å; P56-Y99 HydrophobicContact CG-CD2 4.25Å; P56-Y99 HydrophobicContact CG-CE1 4.04Å; P56-Y99 HydrophobicContact CG-CG 3.68Å; P56-Y99 VanDerWaalsContact O-CE1 3.23Å; P56-Y99 WeakPolarHBondContact O-CE1 3.1Å; P56-Y99 PolarHBondContact O-OH 3.17Å; P56-L101 HydrophobicContact CB-CD1 4.49Å; P56-L101 HydrophobicContact CG-CD1 3.85Å; P56-Y106 HydrophobicContact CG-CE1 4.49Å; P56-Y305 HydrophobicContact CB-CD1 3.66Å; P56-Y305 HydrophobicContact CB-CD2 3.69Å; P56-Y305 HydrophobicContact CB-CE1 4.05Å; P56-Y305 HydrophobicContact CB-CE2 4.11Å; P56-Y305 HydrophobicContact CB-CG 3.46Å; P56-Y305 VanDerWaalsContact CB-CG 3.46Å; P56-Y305 HydrophobicContact CG-CD2 4.21Å; P56-Y305 HydrophobicContact CG-CE2 4.21Å; P56-Y305 HydrophobicContact CG-CG 4.41Å; P56-Y308 VanDerWaalsContact CA-CD1 3.47Å; P56-Y308 HydrophobicContact CB-CD1 3.83Å; P56-Y308 HydrophobicContact CB-CE1 3.7Å
57C85.2Confident77.9Confident6 Ų681.5 Ų81.54%0.04141%0.412CS..  trans-111.2128.7174.7-173.70000111.7W59 C65 M307C57-W59 PolarHBondContact SG-O 3.14Å; C57-W59 VanDerWaalsContact SG-O 3.38Å; C57-C65 HydrophobicContact CB-CB 3.64Å; C57-C65 WeakPolarHBondContact CB-SG 3.29Å; C57-C65 VanDerWaalsContact SG-CA 3.54Å; C57-C65 WeakPolarHBondContact SG-CB 3.33Å; C57-C65 CovalentContact SG-SG 2.01Å; C57-C65 PolarHBondContact SG-SG 3.19Å; C57-M307 PolarHBondContact N-O 3.34Å
58K78.5Confident76.2Confident100 Ų10081.2 Ų81.244%0.43542%0.415SS..SBendtrans-81.5-29.2175.7-74.1-175.9-176.6-168.60113.3I97 R98 Y99 Y305K58-I97 HydrophobicContact CD-CG2 4.35Å; K58-R98 PolarHBondContact NZ-O 3.29Å; K58-Y99 HydrophobicContact CD-CD1 4.47Å; K58-Y99 HydrophobicContact CD-CE1 4.34Å; K58-Y99 HydrophobicContact CG-CD1 4.31Å; K58-Y99 HydrophobicContact CG-CE1 4.05Å; K58-Y305 HydrophobicContact CG-CE1 3.95Å
59W80.2Confident74.4Confident177 Ų17784.2 Ų84.267%0.6743%0.426SS*.  trans-107.792.7-170.7-52.6104.5000110.6C57 N66C57-W59 PolarHBondContact SG-O 3.14Å; C57-W59 VanDerWaalsContact SG-O 3.38Å; W59-N66 PolarHBondContact O-N 3.03Å
60I76.2Confident72.3Confident73 Ų7390.8 Ų90.837%0.37445%0.446SS..EExtended strand (participates in β ladder)trans-106.8117.9-175.6-56165.4000109M307I60-M307 HydrophobicContact CD1-CB 3.75Å; I60-M307 HydrophobicContact CD1-CG 3.65Å; I60-M307 HydrophobicContact CG1-CB 3.96Å; I60-M307 HydrophobicContact CG1-CG 3.93Å; I60-M307 HydrophobicContact CG2-CG 3.97Å
61T69Low70.5Confident86 Ų8692.6 Ų92.653%0.52847%0.472SS..EExtended strand (participates in β ladder)trans-134.1129.616953.60000109.5D63 A64T61-D63 PolarHBondContact O-N 2.74Å; T61-A64 PolarHBondContact N-O 2.82Å; T61-A64 PolarHBondContact O-N 3.26Å
62K63.6Low68.5Low211 Ų21197.5 Ų97.592%0.91749%0.486SS*.THydrogen-bonded Turntrans48.150.1-177.1-67-176.1175.6179.60114.3A64K62-A64 PolarHBondContact O-N 2.95Å; K62-A64 VanDerWaalsContact O-N 3.11Å
63D64Low65.7Low98 Ų98104 Ų10452%0.52453%0.526SS..THydrogen-bonded Turntrans60.518.1174.5-73.3-20.4000116.2T61 K296 M307T61-D63 PolarHBondContact O-N 2.74Å; D63-K296 IonicContact OD1-NZ 2.75Å; D63-K296 PolarHBondContact OD1-NZ 2.94Å; D63-K296 IonicContact OD2-NZ 3.6Å; D63-K296 PolarHBondContact OD2-NZ 3.33Å; D63-M307 WeakPolarHBondContact O-CE 3.37Å
64A66.3Low62.8Low39 Ų39104 Ų10432%0.32254%0.541SS..EExtended strand (participates in β ladder)trans-128.7151.3170.100000110.8T61 K62 N66T61-A64 PolarHBondContact N-O 2.82Å; T61-A64 PolarHBondContact O-N 3.26Å; K62-A64 PolarHBondContact O-N 2.95Å; K62-A64 VanDerWaalsContact O-N 3.11Å; A64-N66 PolarHBondContact O-N 3Å
65C71.4Confident59.9Low26 Ų26110.6 Ų110.618%0.17658%0.58CS.*EExtended strand (participates in β ladder)trans-79.3109.6171.6-175.40000108.6C57C57-C65 HydrophobicContact CB-CB 3.64Å; C57-C65 WeakPolarHBondContact CB-SG 3.29Å; C57-C65 VanDerWaalsContact SG-CA 3.54Å; C57-C65 WeakPolarHBondContact SG-CB 3.33Å; C57-C65 CovalentContact SG-SG 2.01Å; C57-C65 PolarHBondContact SG-SG 3.19Å
66N68.1Low56.9Low101 Ų101112.3 Ų112.354%0.5460%0.595SS.*  trans-84.7138.4-176.8-162.324.1000111.7W59 A64 S68W59-N66 PolarHBondContact O-N 3.03Å; A64-N66 PolarHBondContact O-N 3Å; N66-S68 PolarHBondContact O-N 3.41Å
67D57.8Low55Low108 Ų108117.4 Ų117.458%0.57863%0.628SS**  trans-71.8113.5169.2-67-33.2000108.3I69 R309D67-I69 PolarHBondContact O-N 3.49Å; D67-R309 IonicContact OD1-NH1 3.36Å
68S53Low52.3Low101 Ų101126.8 Ų126.871%0.70667%0.671SS**SBendtrans-66.712179.371.60000114.9N66N66-S68 PolarHBondContact O-N 3.41Å
69I45.9Very low50Low152 Ų152132.1 Ų132.178%0.77969%0.689SS**  trans-108.852.8-174.5-44176.5000110.5D67D67-I69 PolarHBondContact O-N 3.49Å
70R37.9Very low47.5Very low251 Ų251130.4 Ų130.495%0.94770%0.698SS**  trans-145.585.7160.8-88.5-166.9177.3-173.8-0.2109.1
71G33.1Very low45.3Very low67 Ų67135.1 Ų135.169%0.69171%0.712SS**  trans-167.239.4-178.600000114.2
72W38.3Very low43.5Very low260 Ų260142.4 Ų142.499%0.98573%0.731SS**  trans-124.370.2164.5-85.352.5000108.8
73T29.4Very low41.9Very low142 Ų142139.1 Ų139.187%0.87172%0.724SS**  trans-157.9115151.936.60000111.3
74A31.1Very low40.3Very low95 Ų95139.9 Ų139.979%0.78574%0.737SS**  trans78.5125.8147.500000121.8
75V30Very low38.7Very low138 Ų138143.5 Ų143.584%0.83676%0.76SS**  trans101.3123.2150.1-159.60000118
76T27.1Very low37.2Very low125 Ų125150.5 Ų150.577%0.76780%0.795SS**  trans-75.4-169.217847.20000112.7
77P49.2Very low35.7Very low110 Ų110152.2 Ų152.271%0.71481%0.808SS**  -126.7151.5-67.236-20.8000111.4
78E27.8Very low34.9Very low203 Ų203152.2 Ų152.295%0.94982%0.815SS**  trans-153.4137.2151.9-120170.3-156.300112.8
79R29.8Very low34.3Very low212 Ų212152.3 Ų152.380%0.882%0.815SS**  trans-79.3144.4-172.1-70.3170.1167.4172.2-4.6110.8
80T28.8Very low34.6Very low140 Ų140151.5 Ų151.586%0.85982%0.817SS**  -161.5140.5113.518.40000112.3
81Y29.3Very low35.4Very low172 Ų172147.3 Ų147.368%0.67581%0.814SS**  trans-53.6145.6-178-76.3-103.3000115.7
82Y31.6Very low36.6Very low239 Ų239148.6 Ų148.694%0.93782%0.818SS**  -156.4133.7109.3-98.3-75.8000110.4
83N29.4Very low37.8Very low143 Ų143138.7 Ų138.777%0.76580%0.796SS**  trans-75.7133.8179.1-76.9-29.6000111.5
84S31.5Very low39.9Very low114 Ų114138.7 Ų138.780%0.79780%0.799SS**  trans-156110.2132.955.80000109.9
85S32.2Very low42.2Very low115 Ų115140.6 Ų140.680%0.80480%0.801SS**  trans-31.6121166.846.40000116.7
86L38.8Very low44.5Very low173 Ų173137.2 Ų137.291%0.90679%0.794SS**  trans-153119.4138-102.2137.8000107.8
87V37.1Very low47.2Very low136 Ų136136.4 Ų136.482%0.82478%0.784SS**  trans-62.3134.3175.5174.10000108.7S89V87-S89 PolarHBondContact O-N 2.82Å
88P41.5Very low48.8Very low109 Ų109140.9 Ų140.971%0.70879%0.787SS**  trans-79.1122.1-17930.6-30000109.8T90P88-T90 PolarHBondContact O-N 3.36Å
89S40.2Very low51.5Low102 Ų102133.5 Ų133.571%0.71375%0.751SS**  trans-65.6113.1162.251.60000108.8V87 D91V87-S89 PolarHBondContact O-N 2.82Å; S89-D91 VanDerWaalsContact C-N 3.26Å; S89-D91 PolarHBondContact O-N 2.96Å
90T52.3Low54.2Low136 Ų136130.4 Ų130.483%0.83475%0.75SS**SBendtrans-6583.5163.544.20000109.4P88P88-T90 PolarHBondContact O-N 3.36Å
91D54.3Low57Low162 Ų162125.2 Ų125.287%0.86672%0.717SS**  trans-174.337157.7-109.8-7.9000112.6S89 G93S89-D91 VanDerWaalsContact C-N 3.26Å; S89-D91 PolarHBondContact O-N 2.96Å; D91-G93 PolarHBondContact O-N 2.85Å
92A58.6Low59.9Low94 Ų94120.8 Ų120.878%0.77771%0.705SS**  trans-98.188.8179.400000110.7
93G64.5Low62.7Low52 Ų52117.4 Ų117.454%0.53669%0.69SS.*PPolyproline II helixtrans-57.3164.4159.800000111.4D91 T95D91-G93 PolarHBondContact O-N 2.85Å; G93-T95 PolarHBondContact O-N 3.2Å
94P73Confident65.6Low143 Ų143117.8 Ų117.893%0.92969%0.687SS**PPolyproline II helixtrans-57.1126.1-178.224-33.7000111.4
95T78.6Confident68.4Low134 Ų134114.7 Ų114.782%0.82266%0.66SS**PPolyproline II helixtrans-91.2138.3169.352.70000109.6G93G93-T95 PolarHBondContact O-N 3.2Å
96G78.3Confident71.2Confident68 Ų68111 Ų11170%0.70163%0.629SS**PPolyproline II helixtrans-67.1153.9179.600000112.9
97I84.1Confident73.6Confident108 Ų108106.2 Ų106.255%0.55460%0.604SS**PPolyproline II helixtrans-77.4126177.7-55.7172000109.6K58 Y99K58-I97 HydrophobicContact CD-CG2 4.35Å; I97-Y99 HydrophobicContact CB-CE2 3.96Å; I97-Y99 WeakPolarHBondContact CD1-OH 3.28Å; I97-Y99 HydrophobicContact CG2-CD1 4.01Å; I97-Y99 HydrophobicContact CG2-CD2 4.15Å; I97-Y99 HydrophobicContact CG2-CE1 3.6Å; I97-Y99 HydrophobicContact CG2-CE2 3.74Å; I97-Y99 HydrophobicContact CG2-CG 4.27Å; I97-Y99 VanDerWaalsContact CG2-CZ 3.45Å
98R84Confident76.2Confident204 Ų204104.6 Ų104.677%0.7758%0.584SS**PPolyproline II helixtrans-94.4118.8169.9-61.3-176.7-173.9-179.11.4109.7K58K58-R98 PolarHBondContact NZ-O 3.29Å
99Y84.4Confident78.6Confident48 Ų4899.4 Ų99.419%0.18855%0.55CS.*  trans-100.7-9.3-179.3-66.9-72.9000113.8P56 K58 I97 L101 Y305P56-Y99 HydrophobicContact CB-CD1 4.35Å; P56-Y99 HydrophobicContact CG-CD1 3.56Å; P56-Y99 HydrophobicContact CG-CD2 4.25Å; P56-Y99 HydrophobicContact CG-CE1 4.04Å; P56-Y99 HydrophobicContact CG-CG 3.68Å; P56-Y99 VanDerWaalsContact O-CE1 3.23Å; P56-Y99 WeakPolarHBondContact O-CE1 3.1Å; P56-Y99 PolarHBondContact O-OH 3.17Å; K58-Y99 HydrophobicContact CD-CD1 4.47Å; K58-Y99 HydrophobicContact CD-CE1 4.34Å; K58-Y99 HydrophobicContact CG-CD1 4.31Å; K58-Y99 HydrophobicContact CG-CE1 4.05Å; I97-Y99 HydrophobicContact CB-CE2 3.96Å; I97-Y99 WeakPolarHBondContact CD1-OH 3.28Å; I97-Y99 HydrophobicContact CG2-CD1 4.01Å; I97-Y99 HydrophobicContact CG2-CD2 4.15Å; I97-Y99 HydrophobicContact CG2-CE1 3.6Å; I97-Y99 HydrophobicContact CG2-CE2 3.74Å; I97-Y99 HydrophobicContact CG2-CG 4.27Å; I97-Y99 VanDerWaalsContact CG2-CZ 3.45Å; Y99-L101 VanDerWaalsContact C-N 3.32Å; Y99-L101 PolarHBondContact O-N 2.88Å; Y99-Y305 WeakPolarHBondContact CA-OH 3.29Å; Y99-Y305 HydrophobicContact CD1-CE1 4.2Å; Y99-Y305 WeakPolarHBondContact O-CE2 3.42Å; Y99-Y305 PolarHBondContact O-OH 3.47Å
100D85.5Confident81Confident146 Ų14695.6 Ų95.678%0.78152%0.522SS*.  trans53.941.7177.7-53.3-31.7000114.4
101L88.6Confident82.8Confident31 Ų3191.9 Ų91.916%0.16251%0.505CS..  trans-112.1144.3173.5-66.7178.4000111.4P56 Y99 Y106 T303 Y305P56-L101 HydrophobicContact CB-CD1 4.49Å; P56-L101 HydrophobicContact CG-CD1 3.85Å; Y99-L101 VanDerWaalsContact C-N 3.32Å; Y99-L101 PolarHBondContact O-N 2.88Å; L101-Y106 HydrophobicContact CB-CD2 4.09Å; L101-Y106 HydrophobicContact CB-CE2 3.49Å; L101-Y106 VanDerWaalsContact CB-CE2 3.49Å; L101-Y106 HydrophobicContact CD1-CE1 4.28Å; L101-Y106 HydrophobicContact CD1-CE2 4.36Å; L101-T303 WeakPolarHBondContact CD2-O 3.21Å; L101-Y305 HydrophobicContact CD1-CD2 4.03Å; L101-Y305 HydrophobicContact CD1-CE2 4.02Å; L101-Y305 HydrophobicContact CD2-CD2 4.39Å; L101-Y305 HydrophobicContact CD2-CE2 4.23Å; L101-Y305 HydrophobicContact CG-CD2 4.42Å; L101-Y305 HydrophobicContact CG-CE2 4.05Å
102D90.1Very high84.6Confident80 Ų8085.2 Ų85.243%0.42847%0.47SS..  trans-77.7159.117379.545.4000111.8H104 Q105 Y106D102-H104 PolarHBondContact O-N 3.11Å; D102-H104 VanDerWaalsContact OD1-CA 3.29Å; D102-H104 WeakPolarHBondContact OD1-CA 3.16Å; D102-H104 VanDerWaalsContact OD1-CB 3.3Å; D102-H104 WeakPolarHBondContact OD1-CB 3.15Å; D102-H104 PolarHBondContact OD1-N 3.14Å; D102-Q105 VanDerWaalsContact N-OE1 3.16Å; D102-Q105 PolarHBondContact O-N 2.84Å; D102-Q105 WeakPolarHBondContact OD1-CB 3.31Å; D102-Q105 WeakPolarHBondContact OD1-CG 3.42Å; D102-Q105 PolarHBondContact OD1-N 3.03Å; D102-Q105 WeakPolarHBondContact OD2-CG 3.38Å; D102-Y106 WeakPolarHBondContact O-CD2 3.48Å; D102-Y106 PolarHBondContact O-N 3.11Å
103R90.6Very high86.1Confident168 Ų16880.7 Ų80.763%0.63443%0.433SS*.Hα-helixtrans-64.7-26.9-177.9-176.358.7179.6130.51.7113.2N107R103-N107 PolarHBondContact NH1-OD1 3.17Å; R103-N107 PolarHBondContact O-N 3.3Å; R103-N107 PolarHBondContact O-ND2 3.11Å
104H89.9Confident87.3Confident150 Ų15080.7 Ų80.769%0.69442%0.417SS*.Hα-helixtrans-75.2-39.4-179.1-164.475.3000111.3D102 Y106 N107 Y108D102-H104 PolarHBondContact O-N 3.11Å; D102-H104 VanDerWaalsContact OD1-CA 3.29Å; D102-H104 WeakPolarHBondContact OD1-CA 3.16Å; D102-H104 VanDerWaalsContact OD1-CB 3.3Å; D102-H104 WeakPolarHBondContact OD1-CB 3.15Å; D102-H104 PolarHBondContact OD1-N 3.14Å; H104-Y106 VanDerWaalsContact C-N 3.34Å; H104-Y106 PolarHBondContact O-N 2.93Å; H104-N107 PolarHBondContact O-N 3.37Å; H104-Y108 PolarHBondContact O-N 2.96Å
105Q89.4Confident88.1Confident50 Ų5079.1 Ų79.123%0.23440%0.397CS..Hα-helixtrans-61.3-40172.2-72.2174.5-31.800111.4D102 N107 Y108 V109 L302 T303D102-Q105 VanDerWaalsContact N-OE1 3.16Å; D102-Q105 PolarHBondContact O-N 2.84Å; D102-Q105 WeakPolarHBondContact OD1-CB 3.31Å; D102-Q105 WeakPolarHBondContact OD1-CG 3.42Å; D102-Q105 PolarHBondContact OD1-N 3.03Å; D102-Q105 WeakPolarHBondContact OD2-CG 3.38Å; Q105-N107 PolarHBondContact O-N 2.81Å; Q105-Y108 WeakPolarHBondContact O-CB 3.35Å; Q105-Y108 PolarHBondContact O-N 3.05Å; Q105-V109 VanDerWaalsContact O-CG2 3.3Å; Q105-V109 WeakPolarHBondContact O-CG2 3.05Å; Q105-V109 PolarHBondContact O-N 3.32Å; Q105-L302 PolarHBondContact NE2-O 3.14Å; Q105-T303 HydrophobicContact CB-CG2 4.41Å
106Y90.5Very high88.6Confident36 Ų3677.6 Ų77.614%0.14138%0.384CS..Hα-helixtrans-58.1-47171.4-81.3-76.3000112.1L55 P56 L101 D102 H104 Y108 V109 D110L55-Y106 HydrophobicContact CD2-CD1 4.29Å; L55-Y106 HydrophobicContact CD2-CE1 3.71Å; P56-Y106 HydrophobicContact CG-CE1 4.49Å; L101-Y106 HydrophobicContact CB-CD2 4.09Å; L101-Y106 HydrophobicContact CB-CE2 3.49Å; L101-Y106 VanDerWaalsContact CB-CE2 3.49Å; L101-Y106 HydrophobicContact CD1-CE1 4.28Å; L101-Y106 HydrophobicContact CD1-CE2 4.36Å; D102-Y106 WeakPolarHBondContact O-CD2 3.48Å; D102-Y106 PolarHBondContact O-N 3.11Å; H104-Y106 VanDerWaalsContact C-N 3.34Å; H104-Y106 PolarHBondContact O-N 2.93Å; Y106-Y108 VanDerWaalsContact C-N 3.27Å; Y106-Y108 PolarHBondContact O-N 3.17Å; Y106-V109 PolarHBondContact O-N 3.2Å; Y106-D110 PolarHBondContact O-N 3.21Å
107N90.8Very high89.1Confident74 Ų7480.4 Ų80.440%0.39637%0.374SS..Hα-helixtrans-64.3-33.5178.4-62.7-26000112.2R103 H104 Q105 A111R103-N107 PolarHBondContact NH1-OD1 3.17Å; R103-N107 PolarHBondContact O-N 3.3Å; R103-N107 PolarHBondContact O-ND2 3.11Å; H104-N107 PolarHBondContact O-N 3.37Å; Q105-N107 PolarHBondContact O-N 2.81Å; N107-A111 PolarHBondContact O-N 3.37Å; N107-A111 VanDerWaalsContact O-N 3.1Å
108Y91.3Very high89.3Confident102 Ų10275.8 Ų75.840%0.435%0.35SS..Hα-helixtrans-65.8-46.4174176.4-97.3000111.6H104 Q105 Y106 D110 A111 V112 I299 L302 T303H104-Y108 PolarHBondContact O-N 2.96Å; Q105-Y108 WeakPolarHBondContact O-CB 3.35Å; Q105-Y108 PolarHBondContact O-N 3.05Å; Y106-Y108 VanDerWaalsContact C-N 3.27Å; Y106-Y108 PolarHBondContact O-N 3.17Å; Y108-D110 VanDerWaalsContact C-N 3.34Å; Y108-D110 PolarHBondContact O-N 3.39Å; Y108-A111 PolarHBondContact O-N 3.37Å; Y108-V112 HydrophobicContact CD1-CG2 4.17Å; Y108-V112 HydrophobicContact CD2-CG2 4.37Å; Y108-V112 HydrophobicContact CE1-CG2 3.7Å; Y108-V112 HydrophobicContact CE2-CG2 3.94Å; Y108-V112 HydrophobicContact CG-CG2 4.48Å; Y108-V112 WeakPolarHBondContact O-CG2 3.22Å; Y108-V112 PolarHBondContact O-N 3.47Å; Y108-I299 HydrophobicContact CE1-CD1 4.42Å; Y108-I299 HydrophobicContact CE1-CG2 4.28Å; Y108-L302 HydrophobicContact CD1-CD2 3.95Å; Y108-L302 HydrophobicContact CE1-CD2 3.51Å; Y108-T303 HydrophobicContact CD1-CG2 4.4Å
109V90.9Very high89.6Confident0 Ų068.3 Ų68.30%032%0.324CS..Hα-helixtrans-59.5-45.7174.91740000110.6C54 Q105 Y106 A111 V112 C113 I299 T303 Y308C54-V109 HydrophobicContact CB-CG1 3.78Å; Q105-V109 VanDerWaalsContact O-CG2 3.3Å; Q105-V109 WeakPolarHBondContact O-CG2 3.05Å; Q105-V109 PolarHBondContact O-N 3.32Å; Y106-V109 PolarHBondContact O-N 3.2Å; V109-A111 VanDerWaalsContact C-N 3.3Å; V109-A111 PolarHBondContact O-N 3.08Å; V109-V112 PolarHBondContact O-N 3.48Å; V109-C113 VanDerWaalsContact O-CB 3.28Å; V109-C113 WeakPolarHBondContact O-CB 3.43Å; V109-C113 PolarHBondContact O-N 2.98Å; V109-C113 PolarHBondContact O-SG 3.37Å; V109-I299 HydrophobicContact CG2-CD1 3.89Å; V109-T303 HydrophobicContact CG2-CG2 3.85Å; V109-Y308 HydrophobicContact CB-CE1 4.36Å; V109-Y308 HydrophobicContact CG1-CD1 3.42Å; V109-Y308 VanDerWaalsContact CG1-CD1 3.42Å; V109-Y308 HydrophobicContact CG1-CD2 4.05Å; V109-Y308 HydrophobicContact CG1-CE1 3.63Å; V109-Y308 HydrophobicContact CG1-CE2 4.25Å; V109-Y308 HydrophobicContact CG1-CG 3.63Å; V109-Y308 HydrophobicContact CG2-CD1 4.43Å; V109-Y308 HydrophobicContact CG2-CE1 3.79Å
110D91.7Very high89.9Confident22 Ų2271.2 Ų71.212%0.11833%0.334CS..Hα-helixtrans-53.9-47.4176.5-68.8-16.9000110.8M52 C54 Y106 Y108 Y114M52-D110 WeakPolarHBondContact O-CB 2.99Å; C54-D110 WeakPolarHBondContact CA-OD1 3.31Å; C54-D110 VanDerWaalsContact CB-OD1 3.25Å; C54-D110 WeakPolarHBondContact CB-OD1 3.47Å; C54-D110 PolarHBondContact N-OD1 3.21Å; Y106-D110 PolarHBondContact O-N 3.21Å; Y108-D110 VanDerWaalsContact C-N 3.34Å; Y108-D110 PolarHBondContact O-N 3.39Å; D110-Y114 WeakPolarHBondContact O-CB 3.32Å; D110-Y114 PolarHBondContact O-N 3.47Å
111A90.3Very high90.2Very high57 Ų5764.3 Ų64.347%0.47130%0.297SS..Hα-helixtrans-67.3-44.5179.500000113.3N107 Y108 V109 Y114 E115N107-A111 PolarHBondContact O-N 3.37Å; N107-A111 VanDerWaalsContact O-N 3.1Å; Y108-A111 PolarHBondContact O-N 3.37Å; V109-A111 VanDerWaalsContact C-N 3.3Å; V109-A111 PolarHBondContact O-N 3.08Å; A111-Y114 PolarHBondContact O-N 3.01Å; A111-E115 PolarHBondContact O-N 2.87Å
112V91Very high90.2Very high22 Ų2262.9 Ų62.913%0.13329%0.29CS..Hα-helixtrans-65.7-44.1179.8171.60000111.1Y108 V109 Y114 E115 N116 V297 I299Y108-V112 HydrophobicContact CD1-CG2 4.17Å; Y108-V112 HydrophobicContact CD2-CG2 4.37Å; Y108-V112 HydrophobicContact CE1-CG2 3.7Å; Y108-V112 HydrophobicContact CE2-CG2 3.94Å; Y108-V112 HydrophobicContact CG-CG2 4.48Å; Y108-V112 WeakPolarHBondContact O-CG2 3.22Å; Y108-V112 PolarHBondContact O-N 3.47Å; V109-V112 PolarHBondContact O-N 3.48Å; V112-Y114 VanDerWaalsContact C-N 3.35Å; V112-E115 PolarHBondContact O-N 3.47Å; V112-N116 WeakPolarHBondContact O-CB 3.3Å; V112-N116 PolarHBondContact O-N 3.36Å; V112-N116 PolarHBondContact O-ND2 3Å; V112-V297 HydrophobicContact CG1-CB 4.27Å; V112-V297 HydrophobicContact CG1-CG1 4.11Å; V112-V297 HydrophobicContact CG1-CG2 4.38Å; V112-I299 HydrophobicContact CG1-CG2 4.33Å
113C90.1Very high90.2Very high0 Ų059.5 Ų59.50%027%0.271CS..Hα-helixtrans-67.1-39.3176.4-72.50000111.2M52 C54 V109 E115 R117 L118 C295M52-C113 HydrophobicContact CE-CB 3.32Å; C54-C113 VanDerWaalsContact SG-CB 3.54Å; V109-C113 VanDerWaalsContact O-CB 3.28Å; V109-C113 WeakPolarHBondContact O-CB 3.43Å; V109-C113 PolarHBondContact O-N 2.98Å; V109-C113 PolarHBondContact O-SG 3.37Å; C113-E115 VanDerWaalsContact C-N 3.29Å; C113-E115 PolarHBondContact O-N 3.05Å; C113-R117 WeakPolarHBondContact O-CB 3.35Å; C113-R117 PolarHBondContact O-N 3.08Å; C113-L118 PolarHBondContact O-N 3.29Å; C113-C295 WeakPolarHBondContact CA-SG 3.33Å; C113-C295 HydrophobicContact CB-CB 3.77Å; C113-C295 WeakPolarHBondContact CB-SG 3.49Å; C113-C295 WeakPolarHBondContact SG-CB 2.85Å; C113-C295 CovalentContact SG-SG 2.03Å; C113-C295 PolarHBondContact SG-SG 2.99Å
114Y90.4Very high90.3Very high51 Ų5156.7 Ų56.720%0.226%0.262CS..Hα-helixtrans-59.9-45.6176.4179-90.4000109.4D50 M52 D110 A111 V112 L118 K123D50-Y114 VanDerWaalsContact OD2-CE2 3.22Å; D50-Y114 WeakPolarHBondContact OD2-CE2 3.49Å; D50-Y114 VanDerWaalsContact OD2-CZ 3.28Å; D50-Y114 PolarHBondContact OD2-OH 3.44Å; M52-Y114 HydrophobicContact CB-CD2 4.13Å; M52-Y114 VanDerWaalsContact CE-CA 3.47Å; D110-Y114 WeakPolarHBondContact O-CB 3.32Å; D110-Y114 PolarHBondContact O-N 3.47Å; A111-Y114 PolarHBondContact O-N 3.01Å; V112-Y114 VanDerWaalsContact C-N 3.35Å; Y114-L118 HydrophobicContact CD2-CD2 3.58Å; Y114-L118 HydrophobicContact CE2-CD2 3.39Å; Y114-L118 HydrophobicContact CG-CD2 4.48Å; Y114-L118 VanDerWaalsContact O-CB 3.31Å; Y114-L118 WeakPolarHBondContact O-CB 3.36Å; Y114-K123 HydrophobicContact CE1-CD 4.07Å; Y114-K123 HydrophobicContact CE1-CG 4.44Å; Y114-K123 WeakPolarHBondContact O-CE 3.3Å; Y114-K123 PolarHBondContact O-NZ 3.37Å
115E90.1Very high90.5Very high110 Ų11049.7 Ų49.751%0.51423%0.229SC..Hα-helixtrans-72.1-46.7-175.8-166.454.7-165.400113.4A111 V112 C113 K123A111-E115 PolarHBondContact O-N 2.87Å; V112-E115 PolarHBondContact O-N 3.47Å; C113-E115 VanDerWaalsContact C-N 3.29Å; C113-E115 PolarHBondContact O-N 3.05Å; E115-K123 VanDerWaalsContact CA-NZ 3.3Å; E115-K123 PolarHBondContact O-NZ 3.31Å; E115-K123 IonicContact OE2-NZ 2.82Å; E115-K123 PolarHBondContact OE2-NZ 2.94Å
116N89.4Confident90.7Very high103 Ų10347.4 Ų47.455%0.55122%0.219SC*.Hα-helixtrans-90.3-21.7-169.4-66-34.5000115V112V112-N116 WeakPolarHBondContact O-CB 3.3Å; V112-N116 PolarHBondContact O-N 3.36Å; V112-N116 PolarHBondContact O-ND2 3Å
117R88.1Confident90.8Very high127 Ų12750.7 Ų50.748%0.47923%0.232SC..Hα-helixtrans-120.1-29.6-170.9-63.7-65.9179.2-147.13114.6C113 H119 V293 C295 K296 V297C113-R117 WeakPolarHBondContact O-CB 3.35Å; C113-R117 PolarHBondContact O-N 3.08Å; R117-H119 PolarHBondContact O-N 3.13Å; R117-V293 HydrophobicContact CB-CG1 4.27Å; R117-C295 HydrophobicContact CG-CB 4.26Å; R117-K296 VanDerWaalsContact CZ-O 3.24Å; R117-K296 PolarHBondContact NE-O 3.3Å; R117-K296 PolarHBondContact NH2-O 3.23Å; R117-V297 HydrophobicContact CG-CG1 4.35Å
118L88.1Confident90.9Very high11 Ų1148.9 Ų48.96%0.05822%0.222CC..SBendtrans-68.7129.8176.5-173.567.1000110.6M52 C113 Y114 W120 A122 K123 V293 H312M52-L118 HydrophobicContact SD-CB 4.43Å; M52-L118 HydrophobicContact SD-CD1 4.5Å; C113-L118 PolarHBondContact O-N 3.29Å; Y114-L118 HydrophobicContact CD2-CD2 3.58Å; Y114-L118 HydrophobicContact CE2-CD2 3.39Å; Y114-L118 HydrophobicContact CG-CD2 4.48Å; Y114-L118 VanDerWaalsContact O-CB 3.31Å; Y114-L118 WeakPolarHBondContact O-CB 3.36Å; L118-W120 PolarHBondContact O-N 2.74Å; L118-A122 HydrophobicContact CD1-CB 4.46Å; L118-K123 HydrophobicContact CD2-CG 3.79Å; L118-K123 HydrophobicContact CG-CG 4.21Å; L118-K123 WeakPolarHBondContact O-CE 3.33Å; L118-V293 HydrophobicContact CD1-CG2 4.43Å; L118-H312 HydrophobicContact CD1-CB 4.5Å
119H89.8Confident91Very high46 Ų4644.1 Ų44.121%0.21320%0.203CC..  trans-61.8132.1-177.5-170.2-87.9000111.7R117 F121 A122 K123 Y285 N288R117-H119 PolarHBondContact O-N 3.13Å; H119-F121 VanDerWaalsContact ND1-CB 3.28Å; H119-F121 WeakPolarHBondContact ND1-CB 3.22Å; H119-F121 PolarHBondContact ND1-N 2.9Å; H119-F121 VanDerWaalsContact ND1-N 3.16Å; H119-F121 PolarHBondContact O-N 2.8Å; H119-F121 VanDerWaalsContact O-N 3.11Å; H119-A122 PolarHBondContact O-N 3.38Å; H119-K123 PolarHBondContact O-N 2.92Å; H119-Y285 AromaticContact CE1-CD1 3.36Å; H119-Y285 WeakPolarHBondContact CE1-CD1 3.49Å; H119-Y285 AromaticContact CE1-CE1 3.85Å; H119-Y285 AromaticContact NE2-CD1 3.68Å; H119-Y285 AromaticContact NE2-CE1 3.86Å; H119-N288 HydrophobicContact CB-CB 4.31Å; H119-N288 PolarHBondContact CD2-ND2 3.14Å; H119-N288 VanDerWaalsContact CD2-ND2 3.31Å; H119-N288 PolarHBondContact NE2-ND2 2.93Å
120W91.8Very high91.1Very high110 Ų11046.3 Ų46.342%0.41722%0.215SC..Hα-helixtrans-55.7-33.6-175.367.7-88.4000113.5L118 A122 K123 Y124 L128 Y285L118-W120 PolarHBondContact O-N 2.74Å; W120-A122 PolarHBondContact O-N 3.39Å; W120-K123 PolarHBondContact O-N 2.64Å; W120-Y124 HydrophobicContact CB-CD2 4.19Å; W120-Y124 HydrophobicContact CB-CE2 4.43Å; W120-Y124 WeakPolarHBondContact O-CD2 3.48Å; W120-Y124 PolarHBondContact O-N 2.89Å; W120-L128 HydrophobicContact CZ3-CD1 3.93Å; W120-Y285 HydrophobicContact CH2-CE2 4.32Å; W120-Y285 HydrophobicContact CZ2-CD2 4.18Å; W120-Y285 HydrophobicContact CZ2-CE1 4.18Å; W120-Y285 AromaticContact CZ2-CE2 3.79Å; W120-Y285 HydrophobicContact CZ2-CE2 3.79Å; W120-Y285 AromaticContact CZ2-CZ 3.78Å
121F92.4Very high91.2Very high0 Ų049.9 Ų49.90%023%0.233CC..Hα-helixtrans-62.1-40.5177.5-176.1-107.5000112.4H119 K123 Y124 F125 L128 Y281 T282 Y285 V286 I289H119-F121 VanDerWaalsContact ND1-CB 3.28Å; H119-F121 WeakPolarHBondContact ND1-CB 3.22Å; H119-F121 PolarHBondContact ND1-N 2.9Å; H119-F121 VanDerWaalsContact ND1-N 3.16Å; H119-F121 PolarHBondContact O-N 2.8Å; H119-F121 VanDerWaalsContact O-N 3.11Å; F121-K123 VanDerWaalsContact C-N 3.29Å; F121-K123 PolarHBondContact O-N 3.15Å; F121-Y124 PolarHBondContact O-N 3.31Å; F121-F125 HydrophobicContact CE1-CD2 4.19Å; F121-F125 HydrophobicContact CE2-CD2 4.16Å; F121-F125 AromaticContact CZ-CD2 3.69Å; F121-F125 HydrophobicContact CZ-CD2 3.69Å; F121-F125 HydrophobicContact CZ-CE2 4.35Å; F121-F125 WeakPolarHBondContact O-CA 3.21Å; F121-F125 WeakPolarHBondContact O-CB 3.38Å; F121-F125 PolarHBondContact O-N 3.05Å; F121-L128 HydrophobicContact CD2-CD1 4.07Å; F121-L128 HydrophobicContact CE2-CD1 4.31Å; F121-Y281 HydrophobicContact CD2-CE2 4.37Å; F121-Y281 HydrophobicContact CE2-CD2 4.45Å; F121-Y281 AromaticContact CE2-CE2 3.88Å; F121-Y281 HydrophobicContact CE2-CE2 3.88Å; F121-T282 HydrophobicContact CE2-CG2 4.28Å; F121-T282 HydrophobicContact CZ-CG2 4.3Å; F121-Y285 HydrophobicContact CB-CG 4.41Å; F121-Y285 WeakPolarHBondContact CD1-O 3.35Å; F121-Y285 HydrophobicContact CG-CG 4.38Å; F121-V286 HydrophobicContact CE1-CG2 4.26Å; F121-I289 HydrophobicContact CD1-CD1 4.02Å; F121-I289 HydrophobicContact CD1-CG1 4.14Å; F121-I289 HydrophobicContact CE1-CD1 3.95Å
122A88.4Confident91.4Very high1 Ų148 Ų481%0.00822%0.215CC..Hα-helixtrans-65.8-36.2177.800000111.4L118 H119 W120 I289 F318L118-A122 HydrophobicContact CD1-CB 4.46Å; H119-A122 PolarHBondContact O-N 3.38Å; W120-A122 PolarHBondContact O-N 3.39Å; A122-I289 HydrophobicContact CB-CG1 4.16Å; A122-F318 WeakPolarHBondContact O-CD2 3.29Å; A122-F318 WeakPolarHBondContact O-CE2 3.32Å
123K90Very high91.4Very high9 Ų947.1 Ų47.14%0.03921%0.21CC..Hα-helixtrans-68-52173.4-58.9-178.1-174.8177.80111.3Q46 Y114 E115 L118 H119 W120 F121Q46-K123 PolarHBondContact NE2-O 2.88Å; Q46-K123 PolarHBondContact OE1-O 2.93Å; Y114-K123 HydrophobicContact CE1-CD 4.07Å; Y114-K123 HydrophobicContact CE1-CG 4.44Å; Y114-K123 WeakPolarHBondContact O-CE 3.3Å; Y114-K123 PolarHBondContact O-NZ 3.37Å; E115-K123 VanDerWaalsContact CA-NZ 3.3Å; E115-K123 PolarHBondContact O-NZ 3.31Å; E115-K123 IonicContact OE2-NZ 2.82Å; E115-K123 PolarHBondContact OE2-NZ 2.94Å; L118-K123 HydrophobicContact CD2-CG 3.79Å; L118-K123 HydrophobicContact CG-CG 4.21Å; L118-K123 WeakPolarHBondContact O-CE 3.33Å; H119-K123 PolarHBondContact O-N 2.92Å; W120-K123 PolarHBondContact O-N 2.64Å; F121-K123 VanDerWaalsContact C-N 3.29Å; F121-K123 PolarHBondContact O-N 3.15Å
124Y92.8Very high91.4Very high110 Ų11050.3 Ų50.343%0.43123%0.226SC..Hα-helixtrans-97.12.3-166.9-60.2-68.7000114.6W120 F121 Y127 L128W120-Y124 HydrophobicContact CB-CD2 4.19Å; W120-Y124 HydrophobicContact CB-CE2 4.43Å; W120-Y124 WeakPolarHBondContact O-CD2 3.48Å; W120-Y124 PolarHBondContact O-N 2.89Å; F121-Y124 PolarHBondContact O-N 3.31Å; Y124-Y127 HydrophobicContact CD1-CD2 4.31Å; Y124-Y127 PolarHBondContact O-N 3.01Å; Y124-Y127 VanDerWaalsContact O-N 3.15Å; Y124-L128 WeakPolarHBondContact O-CG 3.38Å; Y124-L128 PolarHBondContact O-N 2.95Å
125F93.4Very high91.4Very high3 Ų350 Ų501%0.01323%0.227CC..Hα-helixtrans-50-53-175.1166.6-101.8000114.1F121 Y127 L128 V129 L321 A322 Y325F121-F125 HydrophobicContact CE1-CD2 4.19Å; F121-F125 HydrophobicContact CE2-CD2 4.16Å; F121-F125 AromaticContact CZ-CD2 3.69Å; F121-F125 HydrophobicContact CZ-CD2 3.69Å; F121-F125 HydrophobicContact CZ-CE2 4.35Å; F121-F125 WeakPolarHBondContact O-CA 3.21Å; F121-F125 WeakPolarHBondContact O-CB 3.38Å; F121-F125 PolarHBondContact O-N 3.05Å; F125-Y127 VanDerWaalsContact C-N 3.3Å; F125-Y127 PolarHBondContact O-N 2.99Å; F125-L128 WeakPolarHBondContact O-CB 3.27Å; F125-L128 PolarHBondContact O-N 3.08Å; F125-L128 VanDerWaalsContact O-N 3.17Å; F125-V129 HydrophobicContact CD2-CG2 3.99Å; F125-V129 HydrophobicContact CE1-CG2 4.13Å; F125-V129 HydrophobicContact CE2-CG2 3.49Å; F125-V129 VanDerWaalsContact CE2-CG2 3.49Å; F125-V129 HydrophobicContact CG-CG2 4.5Å; F125-V129 HydrophobicContact CZ-CG2 3.56Å; F125-V129 WeakPolarHBondContact O-CG2 3.41Å; F125-V129 PolarHBondContact O-N 3.11Å; F125-L321 HydrophobicContact CE1-CB 4.12Å; F125-A322 HydrophobicContact CD2-CB 4.38Å; F125-A322 HydrophobicContact CE1-CB 4.42Å; F125-A322 HydrophobicContact CE2-CB 3.76Å; F125-A322 VanDerWaalsContact CZ-CA 3.47Å; F125-A322 HydrophobicContact CZ-CB 3.79Å; F125-Y325 HydrophobicContact CE2-CD1 4.2Å; F125-Y325 HydrophobicContact CZ-CG 4.43Å
126P92.6Very high91.5Very high2 Ų244.8 Ų44.81%0.01320%0.203CC..Hα-helixtrans-64.4-33.3-177.5-20.432.9000113.5G42 V129 L130 F318G42-P126 VanDerWaalsContact C-CG 3.43Å; P126-V129 PolarHBondContact O-N 2.99Å; P126-L130 WeakPolarHBondContact O-CB 3.23Å; P126-L130 PolarHBondContact O-N 3.44Å; P126-F318 HydrophobicContact CG-CZ 4.28Å
127Y92.9Very high91.4Very high104 Ų10440.8 Ų40.841%0.40818%0.181SC..Hα-helixtrans-71-36.5175.9-57-76.3000112.1V47 Y124 F125 L130 L131V47-Y127 VanDerWaalsContact CG2-OH 3.27Å; V47-Y127 WeakPolarHBondContact CG2-OH 3.25Å; Y124-Y127 HydrophobicContact CD1-CD2 4.31Å; Y124-Y127 PolarHBondContact O-N 3.01Å; Y124-Y127 VanDerWaalsContact O-N 3.15Å; F125-Y127 VanDerWaalsContact C-N 3.3Å; F125-Y127 PolarHBondContact O-N 2.99Å; Y127-L130 PolarHBondContact O-N 2.99Å; Y127-L131 WeakPolarHBondContact O-CB 3.37Å; Y127-L131 PolarHBondContact O-N 2.74Å
128L94.1Very high91.3Very high36 Ų3637.7 Ų37.719%0.18818%0.183CC..Hα-helixtrans-64.1-45.2172.7-68168.7000111W120 F121 Y124 F125 L130 L131 H132 Y281W120-L128 HydrophobicContact CZ3-CD1 3.93Å; F121-L128 HydrophobicContact CD2-CD1 4.07Å; F121-L128 HydrophobicContact CE2-CD1 4.31Å; Y124-L128 WeakPolarHBondContact O-CG 3.38Å; Y124-L128 PolarHBondContact O-N 2.95Å; F125-L128 WeakPolarHBondContact O-CB 3.27Å; F125-L128 PolarHBondContact O-N 3.08Å; F125-L128 VanDerWaalsContact O-N 3.17Å; L128-L130 VanDerWaalsContact C-N 3.3Å; L128-L130 PolarHBondContact O-N 3.06Å; L128-L131 PolarHBondContact O-N 3.4Å; L128-H132 PolarHBondContact O-CD2 2.54Å; L128-H132 PolarHBondContact O-N 2.8Å; L128-Y281 HydrophobicContact CD1-CE2 4.49Å
129V93.7Very high91.4Very high2 Ų238.3 Ų38.31%0.01219%0.188CC..Hα-helixtrans-58.4-44.3174.8174.80000110.6A39 F125 P126 H132 T133 Y325A39-V129 HydrophobicContact CB-CB 4.12Å; A39-V129 HydrophobicContact CB-CG1 3.69Å; F125-V129 HydrophobicContact CD2-CG2 3.99Å; F125-V129 HydrophobicContact CE1-CG2 4.13Å; F125-V129 HydrophobicContact CE2-CG2 3.49Å; F125-V129 VanDerWaalsContact CE2-CG2 3.49Å; F125-V129 HydrophobicContact CG-CG2 4.5Å; F125-V129 HydrophobicContact CZ-CG2 3.56Å; F125-V129 WeakPolarHBondContact O-CG2 3.41Å; F125-V129 PolarHBondContact O-N 3.11Å; P126-V129 PolarHBondContact O-N 2.99Å; V129-H132 PolarHBondContact O-N 3.28Å; V129-T133 WeakPolarHBondContact O-CB 3.16Å; V129-T133 PolarHBondContact O-N 2.97Å; V129-T133 PolarHBondContact O-OG1 3.12Å; V129-Y325 HydrophobicContact CB-CE2 4.22Å; V129-Y325 HydrophobicContact CG1-CD2 3.69Å; V129-Y325 HydrophobicContact CG1-CE2 3.48Å; V129-Y325 VanDerWaalsContact CG1-CE2 3.48Å; V129-Y325 HydrophobicContact CG1-CG 4.49Å; V129-Y325 HydrophobicContact CG2-CD1 4.04Å; V129-Y325 HydrophobicContact CG2-CD2 4.01Å; V129-Y325 HydrophobicContact CG2-CE1 4Å; V129-Y325 HydrophobicContact CG2-CE2 3.98Å; V129-Y325 HydrophobicContact CG2-CG 4.03Å
130L92.2Very high91.2Very high47 Ų4736.5 Ų36.525%0.24618%0.181CC..Hα-helixtrans-59.5-49.5176.7-179.562.3000111.5L36 A39 P126 Y127 L128 H132 T133 L134L36-L130 HydrophobicContact CD1-CD1 3.44Å; L36-L130 VanDerWaalsContact CD1-CD1 3.44Å; A39-L130 HydrophobicContact CB-CB 3.87Å; A39-L130 HydrophobicContact CB-CD1 4.34Å; P126-L130 WeakPolarHBondContact O-CB 3.23Å; P126-L130 PolarHBondContact O-N 3.44Å; Y127-L130 PolarHBondContact O-N 2.99Å; L128-L130 VanDerWaalsContact C-N 3.3Å; L128-L130 PolarHBondContact O-N 3.06Å; L130-H132 VanDerWaalsContact C-N 3.33Å; L130-H132 PolarHBondContact O-N 2.86Å; L130-T133 PolarHBondContact O-N 3.28Å; L130-L134 HydrophobicContact CD1-CD1 4.35Å; L130-L134 HydrophobicContact CD1-CG 4.38Å; L130-L134 HydrophobicContact CG-CD1 4.18Å; L130-L134 WeakPolarHBondContact O-CG 3.42Å; L130-L134 PolarHBondContact O-N 3.24Å
131L93Very high90.8Very high96 Ų9631.6 Ų31.650%0.50316%0.163SC..Hα-helixtrans-58.1-45.4178.6177.463.7000111.5Y127 L128 L134 I135Y127-L131 WeakPolarHBondContact O-CB 3.37Å; Y127-L131 PolarHBondContact O-N 2.74Å; L128-L131 PolarHBondContact O-N 3.4Å; L131-L134 PolarHBondContact O-N 2.82Å; L131-I135 HydrophobicContact CD1-CD1 4.21Å; L131-I135 HydrophobicContact CG-CD1 4.05Å; L131-I135 VanDerWaalsContact O-CG1 3.28Å; L131-I135 WeakPolarHBondContact O-CG1 3.21Å; L131-I135 PolarHBondContact O-N 2.62Å
132H94.1Very high90.6Very high19 Ų1936.3 Ų36.39%0.08818%0.183CC..Hα-helixtrans-61.2-46.9177.4-64.9173.4000112.8L128 V129 L130 L134 I135 F136 I278 Y281 Y325L128-H132 PolarHBondContact O-CD2 2.54Å; L128-H132 PolarHBondContact O-N 2.8Å; V129-H132 PolarHBondContact O-N 3.28Å; L130-H132 VanDerWaalsContact C-N 3.33Å; L130-H132 PolarHBondContact O-N 2.86Å; H132-L134 VanDerWaalsContact C-N 3.3Å; H132-L134 PolarHBondContact O-N 3.42Å; H132-I135 PolarHBondContact O-N 3.31Å; H132-F136 WeakPolarHBondContact O-CD2 3.1Å; H132-F136 PolarHBondContact O-N 3.13Å; H132-I278 HydrophobicContact CB-CD1 3.83Å; H132-I278 VanDerWaalsContact CE1-CG1 3.4Å; H132-I278 WeakPolarHBondContact CE1-CG1 3.36Å; H132-I278 WeakPolarHBondContact ND1-CD1 3.15Å; H132-Y281 AromaticContact CE1-CE1 3.52Å; H132-Y281 AromaticContact CE1-CZ 3.44Å; H132-Y281 VanDerWaalsContact CE1-CZ 3.44Å; H132-Y281 PolarHBondContact CE1-OH 3.36Å; H132-Y281 AromaticContact NE2-CE1 3.74Å; H132-Y281 AromaticContact NE2-CZ 3.81Å; H132-Y281 PolarHBondContact NE2-OH 3.42Å; H132-Y325 WeakPolarHBondContact CB-OH 3.33Å; H132-Y325 AromaticContact ND1-CZ 3.96Å; H132-Y325 PolarHBondContact ND1-OH 3.26Å
133T91.6Very high90.5Very high3 Ų336.4 Ų36.42%0.01818%0.183CC..Hα-helixtrans-62.7-39.8179.8-59.60000111.2S32 M35 L36 V129 L130 F136 L137S32-T133 WeakPolarHBondContact O-CG2 3.38Å; M35-T133 HydrophobicContact CB-CG2 4.2Å; M35-T133 WeakPolarHBondContact CB-OG1 3.31Å; L36-T133 HydrophobicContact CB-CG2 3.86Å; L36-T133 HydrophobicContact CD1-CG2 4.21Å; V129-T133 WeakPolarHBondContact O-CB 3.16Å; V129-T133 PolarHBondContact O-N 2.97Å; V129-T133 PolarHBondContact O-OG1 3.12Å; L130-T133 PolarHBondContact O-N 3.28Å; T133-F136 PolarHBondContact O-N 3.08Å; T133-L137 WeakPolarHBondContact O-CB 3.37Å; T133-L137 PolarHBondContact O-N 3.23Å
134L90.2Very high90.2Very high66 Ų6636.5 Ų36.535%0.34618%0.184SC..Hα-helixtrans-64-40.8174.5-70.6174.4000112.2L7 L130 L131 H132 L137 A138L7-L134 HydrophobicContact CD2-CD2 4.26Å; L130-L134 HydrophobicContact CD1-CD1 4.35Å; L130-L134 HydrophobicContact CD1-CG 4.38Å; L130-L134 HydrophobicContact CG-CD1 4.18Å; L130-L134 WeakPolarHBondContact O-CG 3.42Å; L130-L134 PolarHBondContact O-N 3.24Å; L131-L134 PolarHBondContact O-N 2.82Å; H132-L134 VanDerWaalsContact C-N 3.3Å; H132-L134 PolarHBondContact O-N 3.42Å; L134-L137 PolarHBondContact O-N 2.9Å; L134-A138 VanDerWaalsContact O-CB 3.25Å; L134-A138 WeakPolarHBondContact O-CB 3.31Å; L134-A138 PolarHBondContact O-N 3.43Å
135I90.9Very high89.8Confident44 Ų4437 Ų3723%0.22619%0.188CC..Hα-helixtrans-61.4-47.6174.6-68.8165000110.2L131 H132 L137 A138 C139 K274L131-I135 HydrophobicContact CD1-CD1 4.21Å; L131-I135 HydrophobicContact CG-CD1 4.05Å; L131-I135 VanDerWaalsContact O-CG1 3.28Å; L131-I135 WeakPolarHBondContact O-CG1 3.21Å; L131-I135 PolarHBondContact O-N 2.62Å; H132-I135 PolarHBondContact O-N 3.31Å; I135-L137 PolarHBondContact O-N 3.33Å; I135-A138 PolarHBondContact O-N 3.48Å; I135-C139 VanDerWaalsContact O-CB 3.29Å; I135-C139 WeakPolarHBondContact O-CB 3.44Å; I135-C139 PolarHBondContact O-N 3.19Å; I135-C139 PolarHBondContact O-SG 3.44Å; I135-K274 HydrophobicContact CG2-CG 4.36Å
136F91.1Very high89.5Confident1 Ų140.1 Ų40.10%0.00420%0.202CC..Hα-helixtrans-61.8-43.8178.8-72.8-44000112.4M35 H132 T133 C139 S140 K271 K274 I278 Y332M35-F136 HydrophobicContact CE-CD2 3.84Å; M35-F136 HydrophobicContact CE-CE2 3.89Å; H132-F136 WeakPolarHBondContact O-CD2 3.1Å; H132-F136 PolarHBondContact O-N 3.13Å; T133-F136 PolarHBondContact O-N 3.08Å; F136-C139 PolarHBondContact O-N 3.04Å; F136-S140 PolarHBondContact O-N 3.26Å; F136-S140 PolarHBondContact O-OG 3.19Å; F136-S140 VanDerWaalsContact O-OG 3.14Å; F136-K271 HydrophobicContact CD1-CG 4.47Å; F136-K274 HydrophobicContact CE1-CB 3.79Å; F136-K274 HydrophobicContact CZ-CB 4.21Å; F136-I278 HydrophobicContact CE2-CD1 3.65Å; F136-I278 HydrophobicContact CZ-CD1 3.57Å; F136-Y332 AromaticContact CD1-CE1 3.68Å; F136-Y332 HydrophobicContact CD1-CE1 3.68Å; F136-Y332 AromaticContact CD1-CZ 3.87Å; F136-Y332 HydrophobicContact CD2-CE1 4.37Å; F136-Y332 HydrophobicContact CE1-CD1 4.38Å; F136-Y332 AromaticContact CE1-CE1 3.71Å; F136-Y332 HydrophobicContact CE1-CE1 3.71Å; F136-Y332 HydrophobicContact CE2-CE1 4.39Å; F136-Y332 HydrophobicContact CG-CE1 4.03Å; F136-Y332 AromaticContact CG-CZ 3.91Å; F136-Y332 HydrophobicContact CZ-CD1 4.3Å; F136-Y332 HydrophobicContact CZ-CE1 4.07Å
137L87.9Confident89.2Confident19 Ų1944.8 Ų44.810%0.09923%0.232CC..Hα-helixtrans-65.3-43.6178.3-17066.9000112.1F10 A11 T133 L134 I135 S140 N141F10-L137 HydrophobicContact CB-CD2 3.64Å; A11-L137 HydrophobicContact CB-CD1 4.27Å; T133-L137 WeakPolarHBondContact O-CB 3.37Å; T133-L137 PolarHBondContact O-N 3.23Å; L134-L137 PolarHBondContact O-N 2.9Å; I135-L137 PolarHBondContact O-N 3.33Å; L137-S140 PolarHBondContact O-N 3.35Å; L137-N141 PolarHBondContact O-N 2.84Å; L137-N141 VanDerWaalsContact O-N 3.12Å; L137-N141 PolarHBondContact O-ND2 3.35Å
138A86.8Confident88.8Confident62 Ų6248.7 Ų48.751%0.51225%0.246SC..Hα-helixtrans-64.3-44.3176.600000111.5L134 I135 S140 N141 F142L134-A138 VanDerWaalsContact O-CB 3.25Å; L134-A138 WeakPolarHBondContact O-CB 3.31Å; L134-A138 PolarHBondContact O-N 3.43Å; I135-A138 PolarHBondContact O-N 3.48Å; A138-S140 VanDerWaalsContact C-N 3.34Å; A138-S140 PolarHBondContact O-N 2.99Å; A138-N141 PolarHBondContact O-N 3.47Å; A138-F142 WeakPolarHBondContact O-CB 3.43Å; A138-F142 PolarHBondContact O-N 2.97Å
139C89Confident88.6Confident25 Ų2547 Ų4717%0.16924%0.237CC..Hα-helixtrans-63-37.8176.2-740000112.3I135 F136 Q267 K271I135-C139 VanDerWaalsContact O-CB 3.29Å; I135-C139 WeakPolarHBondContact O-CB 3.44Å; I135-C139 PolarHBondContact O-N 3.19Å; I135-C139 PolarHBondContact O-SG 3.44Å; F136-C139 PolarHBondContact O-N 3.04Å; C139-Q267 WeakPolarHBondContact O-CG 3.43Å; C139-Q267 PolarHBondContact O-NE2 2.9Å; C139-K271 HydrophobicContact CB-CG 4.27Å
140S85.7Confident88.3Confident8 Ų848 Ų486%0.05625%0.245CC..Hα-helixtrans-65.8-42175.9-68.80000112.8F136 L137 A138 K271F136-S140 PolarHBondContact O-N 3.26Å; F136-S140 PolarHBondContact O-OG 3.19Å; F136-S140 VanDerWaalsContact O-OG 3.14Å; L137-S140 PolarHBondContact O-N 3.35Å; A138-S140 VanDerWaalsContact C-N 3.34Å; A138-S140 PolarHBondContact O-N 2.99Å; S140-K271 WeakPolarHBondContact OG-CE 3.49Å; S140-K271 PolarHBondContact OG-NZ 3.17Å
141N84.8Confident88.1Confident7 Ų748.4 Ų48.44%0.03725%0.252CS..Hα-helixtrans-95.3-4.3-169.9-70.4-39.8000115F10 L137 A138 W143 F144 K145F10-N141 PolarHBondContact O-ND2 3.39Å; L137-N141 PolarHBondContact O-N 2.84Å; L137-N141 VanDerWaalsContact O-N 3.12Å; L137-N141 PolarHBondContact O-ND2 3.35Å; A138-N141 PolarHBondContact O-N 3.47Å; N141-W143 PolarHBondContact O-N 2.81Å; N141-F144 PolarHBondContact O-N 2.98Å; N141-K145 PolarHBondContact O-N 3.13Å
142F87.2Confident88Confident98 Ų9845 Ų4543%0.4323%0.232SC..Hα-helixtrans-55.5-48.7-175.1-178.9-98.4000113.3A138 F144 K145 F146 L263A138-F142 WeakPolarHBondContact O-CB 3.43Å; A138-F142 PolarHBondContact O-N 2.97Å; F142-F144 VanDerWaalsContact C-N 3.3Å; F142-F144 PolarHBondContact O-N 2.93Å; F142-K145 PolarHBondContact O-N 3.21Å; F142-F146 HydrophobicContact CE1-CB 4.17Å; F142-F146 HydrophobicContact CE1-CD2 4.27Å; F142-F146 HydrophobicContact CE1-CG 4.13Å; F142-F146 HydrophobicContact CE2-CD2 4.4Å; F142-F146 HydrophobicContact CZ-CB 4.3Å; F142-F146 AromaticContact CZ-CD2 3.77Å; F142-F146 HydrophobicContact CZ-CD2 3.77Å; F142-F146 HydrophobicContact CZ-CE2 4.3Å; F142-F146 HydrophobicContact CZ-CG 4.09Å; F142-F146 WeakPolarHBondContact O-CB 3.24Å; F142-F146 PolarHBondContact O-N 3Å; F142-L263 HydrophobicContact CD1-CD2 4.29Å; F142-L263 HydrophobicContact CE1-CD1 4.47Å; F142-L263 HydrophobicContact CE1-CD2 3.85Å
143W86.7Confident87.8Confident3 Ų344 Ų441%0.01123%0.228CC..Hα-helixtrans-66.6-25.5-177.975.9-59.1000114.5L20 N141 T149 L153 V260 Y264 L378L20-W143 HydrophobicContact CB-CH2 4.46Å; N141-W143 PolarHBondContact O-N 2.81Å; W143-T149 WeakPolarHBondContact O-CB 3.45Å; W143-T149 PolarHBondContact O-OG1 2.96Å; W143-L153 HydrophobicContact CD2-CD1 4.21Å; W143-L153 HydrophobicContact CE3-CD1 3.45Å; W143-L153 VanDerWaalsContact CE3-CD1 3.45Å; W143-L153 HydrophobicContact CE3-CD2 4.18Å; W143-L153 HydrophobicContact CE3-CG 4.41Å; W143-L153 HydrophobicContact CH2-CD1 4.32Å; W143-L153 HydrophobicContact CH2-CD2 4.17Å; W143-L153 HydrophobicContact CZ3-CD1 3.52Å; W143-L153 HydrophobicContact CZ3-CD2 3.45Å; W143-L153 VanDerWaalsContact CZ3-CD2 3.45Å; W143-L153 HydrophobicContact CZ3-CG 4.12Å; W143-V260 HydrophobicContact CE3-CG1 3.83Å; W143-V260 HydrophobicContact CZ3-CG1 3.76Å; W143-Y264 HydrophobicContact CD2-CD2 4.02Å; W143-Y264 HydrophobicContact CD2-CE2 4.38Å; W143-Y264 AromaticContact CE2-CD2 3.91Å; W143-Y264 AromaticContact CE2-CE2 3.8Å; W143-Y264 HydrophobicContact CE3-CD2 4.18Å; W143-Y264 HydrophobicContact CH2-CD2 4.25Å; W143-Y264 HydrophobicContact CH2-CE2 4.21Å; W143-Y264 HydrophobicContact CZ2-CD2 4.04Å; W143-Y264 AromaticContact CZ2-CE2 3.71Å; W143-Y264 HydrophobicContact CZ2-CE2 3.71Å; W143-Y264 HydrophobicContact CZ3-CD2 4.29Å; W143-L378 HydrophobicContact CH2-CD1 4.02Å; W143-L378 HydrophobicContact CZ3-CD1 4.49Å
144F83.8Confident87.7Confident11 Ų1148.7 Ų48.75%0.04825%0.25CC..Hα-helixtrans-74.2-32.1174.7-73.5-62.4000112.7T13 Y17 L20 K21 N141 F142 S150 L153T13-F144 HydrophobicContact CG2-CD2 4.28Å; Y17-F144 HydrophobicContact CD1-CD1 4.42Å; Y17-F144 HydrophobicContact CD1-CE1 4.37Å; Y17-F144 AromaticContact CD2-CD1 3.85Å; Y17-F144 HydrophobicContact CD2-CD1 3.85Å; Y17-F144 HydrophobicContact CD2-CE1 4.33Å; Y17-F144 HydrophobicContact CE2-CD1 4.39Å; Y17-F144 AromaticContact CG-CD1 3.89Å; Y17-F144 HydrophobicContact CG-CD1 3.89Å; Y17-F144 AromaticContact CG-CE1 3.92Å; Y17-F144 HydrophobicContact CG-CE1 3.92Å; L20-F144 HydrophobicContact CB-CE1 4.46Å; L20-F144 HydrophobicContact CD1-CE1 4.48Å; K21-F144 HydrophobicContact CG-CE2 4.46Å; K21-F144 HydrophobicContact CG-CZ 4.14Å; N141-F144 PolarHBondContact O-N 2.98Å; F142-F144 VanDerWaalsContact C-N 3.3Å; F142-F144 PolarHBondContact O-N 2.93Å; F144-S150 VanDerWaalsContact O-CB 3.32Å; F144-S150 WeakPolarHBondContact O-CB 3.35Å; F144-S150 PolarHBondContact O-OG 2.85Å; F144-S150 VanDerWaalsContact O-OG 3.05Å; F144-L153 HydrophobicContact CD1-CD1 4.34Å
145K83.5Confident87.6Confident120 Ų12050.6 Ų50.652%0.52226%0.257SS..Hα-helixtrans-96.4-18.7-176.1-64.8-172.9176.8-176.90113.6N141 F142 P147N141-K145 PolarHBondContact O-N 3.13Å; F142-K145 PolarHBondContact O-N 3.21Å; K145-P147 WeakPolarHBondContact O-CD 3.36Å
146F87.6Confident87.7Confident69 Ų6948.5 Ų48.530%0.30325%0.246SC..SBendtrans-73.7122.3-177.9-173.9-112.5000111.4F142 R148 T149 S150 I259 L263F142-F146 HydrophobicContact CE1-CB 4.17Å; F142-F146 HydrophobicContact CE1-CD2 4.27Å; F142-F146 HydrophobicContact CE1-CG 4.13Å; F142-F146 HydrophobicContact CE2-CD2 4.4Å; F142-F146 HydrophobicContact CZ-CB 4.3Å; F142-F146 AromaticContact CZ-CD2 3.77Å; F142-F146 HydrophobicContact CZ-CD2 3.77Å; F142-F146 HydrophobicContact CZ-CE2 4.3Å; F142-F146 HydrophobicContact CZ-CG 4.09Å; F142-F146 WeakPolarHBondContact O-CB 3.24Å; F142-F146 PolarHBondContact O-N 3Å; F146-R148 VanDerWaalsContact C-N 3.33Å; F146-R148 HydrophobicContact CD1-CB 4.04Å; F146-R148 HydrophobicContact CE1-CB 3.67Å; F146-R148 HydrophobicContact CE1-CG 4.05Å; F146-R148 HydrophobicContact CZ-CG 4.45Å; F146-R148 PolarHBondContact O-N 3.34Å; F146-R148 VanDerWaalsContact O-N 3.15Å; F146-T149 HydrophobicContact CD1-CG2 4.45Å; F146-T149 PolarHBondContact O-N 3.09Å; F146-T149 VanDerWaalsContact O-N 3.08Å; F146-T149 PolarHBondContact O-OG1 2.74Å; F146-S150 VanDerWaalsContact O-CB 3.27Å; F146-S150 WeakPolarHBondContact O-CB 3.35Å; F146-S150 PolarHBondContact O-N 2.81Å; F146-I259 HydrophobicContact CE1-CD1 4.49Å; F146-L263 HydrophobicContact CD1-CD1 4.05Å; F146-L263 HydrophobicContact CE1-CD1 4.41Å
147P86.6Confident87.7Confident100 Ų10048.7 Ų48.765%0.64925%0.247SC*.Hα-helixtrans-56.5-38-168.8-29.935.5000115.4K145 T149 S151K145-P147 WeakPolarHBondContact O-CD 3.36Å; P147-T149 VanDerWaalsContact C-N 3.32Å; P147-T149 PolarHBondContact O-N 2.71Å; P147-S151 WeakPolarHBondContact O-CB 3.46Å; P147-S151 PolarHBondContact O-N 2.94Å; P147-S151 VanDerWaalsContact O-N 3.17Å
148R85.3Confident87.8Confident186 Ų18650.4 Ų50.470%0.70226%0.261SS*.Hα-helixtrans-69.6-26-178.7-65.7-170.9170.3-170.8-2.2113.8F146 I259F146-R148 VanDerWaalsContact C-N 3.33Å; F146-R148 HydrophobicContact CD1-CB 4.04Å; F146-R148 HydrophobicContact CE1-CB 3.67Å; F146-R148 HydrophobicContact CE1-CG 4.05Å; F146-R148 HydrophobicContact CZ-CG 4.45Å; F146-R148 PolarHBondContact O-N 3.34Å; F146-R148 VanDerWaalsContact O-N 3.15Å; R148-I259 HydrophobicContact CB-CD1 4.04Å
149T89.3Confident88.1Confident0 Ų048.1 Ų48.10%024%0.24CC..Hα-helixtrans-94.6-43.217543.10000111.6W143 F146 P147 S151 K152 L153 I259 V260 L263W143-T149 WeakPolarHBondContact O-CB 3.45Å; W143-T149 PolarHBondContact O-OG1 2.96Å; F146-T149 HydrophobicContact CD1-CG2 4.45Å; F146-T149 PolarHBondContact O-N 3.09Å; F146-T149 VanDerWaalsContact O-N 3.08Å; F146-T149 PolarHBondContact O-OG1 2.74Å; P147-T149 VanDerWaalsContact C-N 3.32Å; P147-T149 PolarHBondContact O-N 2.71Å; T149-S151 VanDerWaalsContact C-N 3.29Å; T149-S151 PolarHBondContact O-N 3.2Å; T149-K152 PolarHBondContact O-N 3.22Å; T149-K152 VanDerWaalsContact O-N 3.09Å; T149-L153 WeakPolarHBondContact O-CG 3.49Å; T149-L153 PolarHBondContact O-N 3Å; T149-I259 HydrophobicContact CG2-CG1 4.35Å; T149-I259 HydrophobicContact CG2-CG2 4.23Å; T149-V260 HydrophobicContact CG2-CG2 4.06Å; T149-L263 HydrophobicContact CG2-CD1 3.36Å
150S87.5Confident88.1Confident24 Ų2447 Ų4717%0.16823%0.232CC..Hα-helixtrans-55.2-43.8-179.6-170.70000111.8F144 F146 K152 L153 E154F144-S150 VanDerWaalsContact O-CB 3.32Å; F144-S150 WeakPolarHBondContact O-CB 3.35Å; F144-S150 PolarHBondContact O-OG 2.85Å; F144-S150 VanDerWaalsContact O-OG 3.05Å; F146-S150 VanDerWaalsContact O-CB 3.27Å; F146-S150 WeakPolarHBondContact O-CB 3.35Å; F146-S150 PolarHBondContact O-N 2.81Å; S150-K152 VanDerWaalsContact C-N 3.35Å; S150-K152 PolarHBondContact O-N 3.17Å; S150-L153 PolarHBondContact O-N 3.37Å; S150-L153 VanDerWaalsContact O-N 3.16Å; S150-E154 WeakPolarHBondContact O-CB 3.4Å; S150-E154 PolarHBondContact O-N 3.12Å
151S88.5Confident88.3Confident56 Ų5649.5 Ų49.539%0.39225%0.245SC..Hα-helixtrans-57.7-43176.9177.50000113.4P147 T149 H155P147-S151 WeakPolarHBondContact O-CB 3.46Å; P147-S151 PolarHBondContact O-N 2.94Å; P147-S151 VanDerWaalsContact O-N 3.17Å; T149-S151 VanDerWaalsContact C-N 3.29Å; T149-S151 PolarHBondContact O-N 3.2Å; S151-H155 PolarHBondContact O-N 2.86Å; S151-H155 PolarHBondContact O-ND1 3.49Å
152K89.6Confident88.6Confident23 Ų2353.9 Ų53.910%0.126%0.263CS..Hα-helixtrans-67-42.5176.8-69.5-169.4176.6-165.30111.7T149 S150 F156 V254 I259 V260 D371T149-K152 PolarHBondContact O-N 3.22Å; T149-K152 VanDerWaalsContact O-N 3.09Å; S150-K152 VanDerWaalsContact C-N 3.35Å; S150-K152 PolarHBondContact O-N 3.17Å; K152-F156 VanDerWaalsContact O-CB 3.3Å; K152-F156 WeakPolarHBondContact O-CB 3.47Å; K152-F156 PolarHBondContact O-N 2.93Å; K152-V254 HydrophobicContact CD-CG1 4.49Å; K152-V254 HydrophobicContact CD-CG2 4.42Å; K152-V254 HydrophobicContact CG-CG2 4.46Å; K152-I259 HydrophobicContact CD-CG2 4.44Å; K152-V260 HydrophobicContact CB-CG2 4.49Å; K152-V260 HydrophobicContact CD-CG2 4.17Å; K152-D371 IonicContact NZ-OD2 2.97Å; K152-D371 PolarHBondContact NZ-OD2 2.97Å
153L89.9Confident88.8Confident0 Ų049.3 Ų49.30%024%0.243CC..Hα-helixtrans-68.5-41.5-178.9-64.1166.5000112Y17 L20 W143 F144 T149 S150 F156 V157 V260 M375Y17-L153 HydrophobicContact CE1-CB 4.31Å; L20-L153 HydrophobicContact CD1-CB 4.27Å; L20-L153 HydrophobicContact CD1-CD2 3.85Å; W143-L153 HydrophobicContact CD2-CD1 4.21Å; W143-L153 HydrophobicContact CE3-CD1 3.45Å; W143-L153 VanDerWaalsContact CE3-CD1 3.45Å; W143-L153 HydrophobicContact CE3-CD2 4.18Å; W143-L153 HydrophobicContact CE3-CG 4.41Å; W143-L153 HydrophobicContact CH2-CD1 4.32Å; W143-L153 HydrophobicContact CH2-CD2 4.17Å; W143-L153 HydrophobicContact CZ3-CD1 3.52Å; W143-L153 HydrophobicContact CZ3-CD2 3.45Å; W143-L153 VanDerWaalsContact CZ3-CD2 3.45Å; W143-L153 HydrophobicContact CZ3-CG 4.12Å; F144-L153 HydrophobicContact CD1-CD1 4.34Å; T149-L153 WeakPolarHBondContact O-CG 3.49Å; T149-L153 PolarHBondContact O-N 3Å; S150-L153 PolarHBondContact O-N 3.37Å; S150-L153 VanDerWaalsContact O-N 3.16Å; L153-F156 WeakPolarHBondContact O-CB 3.33Å; L153-F156 PolarHBondContact O-N 3.42Å; L153-V157 VanDerWaalsContact O-CG2 3.31Å; L153-V157 WeakPolarHBondContact O-CG2 3.3Å; L153-V157 PolarHBondContact O-N 3.41Å; L153-V260 HydrophobicContact CD2-CG1 4.16Å; L153-M375 HydrophobicContact CD2-CG 4.18Å; L153-M375 HydrophobicContact CD2-SD 3.63Å
154E89.1Confident88.8Confident101 Ų10151.7 Ų51.747%0.47225%0.254SS..Hα-helixtrans-64.6-45.6178.1-170.1175.8-167.800111.3S150 F156 V157 S158S150-E154 WeakPolarHBondContact O-CB 3.4Å; S150-E154 PolarHBondContact O-N 3.12Å; E154-F156 VanDerWaalsContact C-N 3.33Å; E154-F156 PolarHBondContact O-N 3.26Å; E154-V157 PolarHBondContact O-N 3.38Å; E154-S158 VanDerWaalsContact O-CB 3.3Å; E154-S158 WeakPolarHBondContact O-CB 3.33Å; E154-S158 PolarHBondContact O-N 3.15Å
155H89.5Confident89Confident106 Ų10657 Ų5749%0.49128%0.283SS..Hα-helixtrans-62.4-41.7174.6-8266.4000111.6S151 S158 I159 F250S151-H155 PolarHBondContact O-N 2.86Å; S151-H155 PolarHBondContact O-ND1 3.49Å; H155-S158 PolarHBondContact O-N 2.94Å; H155-I159 VanDerWaalsContact O-CG1 3.26Å; H155-I159 WeakPolarHBondContact O-CG1 3.47Å; H155-I159 PolarHBondContact O-N 2.84Å; H155-F250 HydrophobicContact CB-CD2 3.91Å; H155-F250 HydrophobicContact CB-CE2 3.46Å; H155-F250 VanDerWaalsContact CB-CE2 3.46Å; H155-F250 HydrophobicContact CB-CZ 4.38Å
156F91.8Very high89.2Confident0 Ų051.8 Ų51.80%026%0.261CS..Hα-helixtrans-60-52.3177.5-176.1-125.6000112L20 K152 L153 E154 S158 I159 L160 F250 F372 M375 L376 I379L20-F156 HydrophobicContact CD2-CD1 4.13Å; L20-F156 HydrophobicContact CD2-CE1 4.06Å; K152-F156 VanDerWaalsContact O-CB 3.3Å; K152-F156 WeakPolarHBondContact O-CB 3.47Å; K152-F156 PolarHBondContact O-N 2.93Å; L153-F156 WeakPolarHBondContact O-CB 3.33Å; L153-F156 PolarHBondContact O-N 3.42Å; E154-F156 VanDerWaalsContact C-N 3.33Å; E154-F156 PolarHBondContact O-N 3.26Å; F156-S158 VanDerWaalsContact C-N 3.33Å; F156-S158 PolarHBondContact O-N 2.92Å; F156-I159 PolarHBondContact O-N 3.42Å; F156-L160 VanDerWaalsContact O-CB 3.3Å; F156-L160 WeakPolarHBondContact O-CB 3.4Å; F156-L160 PolarHBondContact O-N 3.18Å; F156-F250 HydrophobicContact CB-CE1 4.1Å; F156-F250 HydrophobicContact CB-CZ 3.63Å; F156-F250 AromaticContact CD2-CE1 3.64Å; F156-F250 HydrophobicContact CD2-CE1 3.64Å; F156-F250 HydrophobicContact CD2-CZ 4.07Å; F156-F250 HydrophobicContact CG-CE1 4.33Å; F156-F250 HydrophobicContact CG-CZ 4.31Å; F156-F372 HydrophobicContact CD2-CE2 4.44Å; F156-F372 HydrophobicContact CE2-CE2 4.2Å; F156-M375 HydrophobicContact CB-CE 4.2Å; F156-M375 HydrophobicContact CB-SD 4.11Å; F156-M375 HydrophobicContact CD1-CB 3.91Å; F156-M375 HydrophobicContact CD1-CE 4.38Å; F156-M375 HydrophobicContact CD1-CG 4.42Å; F156-M375 HydrophobicContact CD1-SD 3.95Å; F156-M375 HydrophobicContact CD2-CE 4.14Å; F156-M375 HydrophobicContact CE1-CB 3.47Å; F156-M375 VanDerWaalsContact CE1-CB 3.47Å; F156-M375 HydrophobicContact CE1-CG 4.43Å; F156-M375 HydrophobicContact CE1-SD 4.49Å; F156-M375 HydrophobicContact CE2-CB 4.45Å; F156-M375 HydrophobicContact CG-CE 4Å; F156-M375 HydrophobicContact CG-SD 4.03Å; F156-M375 HydrophobicContact CZ-CB 3.74Å; F156-L376 HydrophobicContact CE2-CD2 4.42Å; F156-L376 HydrophobicContact CZ-CD2 4.11Å; F156-L376 HydrophobicContact CZ-CG 4.2Å; F156-I379 HydrophobicContact CD1-CD1 4.47Å; F156-I379 HydrophobicContact CE1-CD1 3.24Å; F156-I379 HydrophobicContact CE1-CG1 3.75Å; F156-I379 HydrophobicContact CE2-CD1 4.33Å; F156-I379 HydrophobicContact CZ-CD1 3.17Å; F156-I379 HydrophobicContact CZ-CG1 4.14Å
157V91.4Very high89.2Confident4 Ų450.9 Ų50.92%0.02426%0.262CS..Hα-helixtrans-64.4-39-179.3173.50000111A16 Y17 L20 L153 E154 I159 L160 L161A16-V157 HydrophobicContact CB-CG1 4Å; Y17-V157 HydrophobicContact CD1-CG2 4.23Å; Y17-V157 HydrophobicContact CE1-CG2 4.47Å; L20-V157 HydrophobicContact CD1-CG2 3.62Å; L20-V157 HydrophobicContact CG-CG2 4.01Å; L153-V157 VanDerWaalsContact O-CG2 3.31Å; L153-V157 WeakPolarHBondContact O-CG2 3.3Å; L153-V157 PolarHBondContact O-N 3.41Å; E154-V157 PolarHBondContact O-N 3.38Å; V157-I159 PolarHBondContact O-N 3.02Å; V157-L160 PolarHBondContact O-N 3.16Å; V157-L161 HydrophobicContact CG1-CD1 3.89Å; V157-L161 HydrophobicContact CG1-CG 4.31Å; V157-L161 WeakPolarHBondContact O-CB 3.41Å; V157-L161 VanDerWaalsContact O-CG 3.3Å; V157-L161 WeakPolarHBondContact O-CG 3.33Å; V157-L161 PolarHBondContact O-N 3.01Å
158S90.8Very high89.1Confident55 Ų5546.2 Ų46.239%0.38523%0.232SC..Hα-helixtrans-61.4-43.2176.2-170.80000112.5E154 H155 F156 K162E154-S158 VanDerWaalsContact O-CB 3.3Å; E154-S158 WeakPolarHBondContact O-CB 3.33Å; E154-S158 PolarHBondContact O-N 3.15Å; H155-S158 PolarHBondContact O-N 2.94Å; F156-S158 VanDerWaalsContact C-N 3.33Å; F156-S158 PolarHBondContact O-N 2.92Å; S158-K162 WeakPolarHBondContact O-CG 3.49Å; S158-K162 PolarHBondContact O-N 3.41Å
159I91.6Very high89.1Confident15 Ų1537.3 Ų37.38%0.07720%0.198CC..Hα-helixtrans-69-45.2177.1-66.2167.7000109.9H155 F156 V157 L161 K162 C163 V247 F250 F390H155-I159 VanDerWaalsContact O-CG1 3.26Å; H155-I159 WeakPolarHBondContact O-CG1 3.47Å; H155-I159 PolarHBondContact O-N 2.84Å; F156-I159 PolarHBondContact O-N 3.42Å; V157-I159 PolarHBondContact O-N 3.02Å; I159-L161 VanDerWaalsContact C-N 3.35Å; I159-L161 PolarHBondContact O-N 3.43Å; I159-K162 PolarHBondContact O-N 2.93Å; I159-K162 VanDerWaalsContact O-N 3.15Å; I159-C163 WeakPolarHBondContact O-CB 3.4Å; I159-C163 PolarHBondContact O-N 2.84Å; I159-C163 PolarHBondContact O-SG 3.16Å; I159-V247 HydrophobicContact CG2-CG2 3.62Å; I159-F250 HydrophobicContact CD1-CB 3.47Å; I159-F250 VanDerWaalsContact CD1-CB 3.47Å; I159-F250 HydrophobicContact CD1-CD1 3.83Å; I159-F250 HydrophobicContact CD1-CD2 3.78Å; I159-F250 HydrophobicContact CD1-CG 3.39Å; I159-F390 HydrophobicContact CG2-CE2 3.98Å
160L90.8Very high88.9Confident2 Ų240.5 Ų40.51%0.0122%0.218CC..Hα-helixtrans-57.3-46.4-178.9-171.673.2000112.1I19 F156 V157 C163 F164 I379 Y386 F390I19-L160 HydrophobicContact CG2-CD2 3.99Å; F156-L160 VanDerWaalsContact O-CB 3.3Å; F156-L160 WeakPolarHBondContact O-CB 3.4Å; F156-L160 PolarHBondContact O-N 3.18Å; V157-L160 PolarHBondContact O-N 3.16Å; L160-C163 PolarHBondContact O-N 2.98Å; L160-F164 WeakPolarHBondContact O-CB 3.11Å; L160-F164 PolarHBondContact O-N 3.12Å; L160-I379 HydrophobicContact CD1-CD1 3.96Å; L160-I379 HydrophobicContact CD2-CD1 3.64Å; L160-I379 HydrophobicContact CD2-CG1 4.2Å; L160-I379 HydrophobicContact CD2-CG2 4.14Å; L160-I379 HydrophobicContact CG-CD1 4.43Å; L160-Y386 HydrophobicContact CD1-CD1 4.15Å; L160-Y386 HydrophobicContact CD2-CD1 3.76Å; L160-Y386 HydrophobicContact CD2-CE1 4.32Å; L160-Y386 HydrophobicContact CD2-CG 4.2Å; L160-Y386 HydrophobicContact CG-CD1 3.73Å; L160-Y386 HydrophobicContact CG-CE1 4.4Å; L160-Y386 HydrophobicContact CG-CG 4.47Å; L160-F390 HydrophobicContact CD1-CB 4.26Å; L160-F390 HydrophobicContact CD1-CD2 3.94Å; L160-F390 HydrophobicContact CD1-CG 4.34Å
161L89.4Confident88.6Confident60 Ų6040.9 Ų40.931%0.31422%0.215SC..Hα-helixtrans-62.6-43.1177.3-71.5171.1000111.6I19 V157 I159 C163 F164 D165I19-L161 HydrophobicContact CD1-CD2 3.77Å; I19-L161 HydrophobicContact CD1-CG 4.45Å; V157-L161 HydrophobicContact CG1-CD1 3.89Å; V157-L161 HydrophobicContact CG1-CG 4.31Å; V157-L161 WeakPolarHBondContact O-CB 3.41Å; V157-L161 VanDerWaalsContact O-CG 3.3Å; V157-L161 WeakPolarHBondContact O-CG 3.33Å; V157-L161 PolarHBondContact O-N 3.01Å; I159-L161 VanDerWaalsContact C-N 3.35Å; I159-L161 PolarHBondContact O-N 3.43Å; L161-C163 PolarHBondContact O-N 2.93Å; L161-F164 WeakPolarHBondContact O-CB 3.17Å; L161-F164 PolarHBondContact O-N 3.06Å; L161-D165 PolarHBondContact O-N 2.98Å
162K91.4Very high88.1Confident99 Ų9938.2 Ų38.243%0.4320%0.197SC..Hα-helixtrans-67.2-36.7177.1-69.5179.2-176.6-177.50113.1S158 I159 F164 S166 L243S158-K162 WeakPolarHBondContact O-CG 3.49Å; S158-K162 PolarHBondContact O-N 3.41Å; I159-K162 PolarHBondContact O-N 2.93Å; I159-K162 VanDerWaalsContact O-N 3.15Å; K162-F164 VanDerWaalsContact C-N 3.3Å; K162-S166 WeakPolarHBondContact O-CB 3.42Å; K162-S166 PolarHBondContact O-N 3.22Å; K162-S166 VanDerWaalsContact O-N 3.17Å; K162-L243 HydrophobicContact CB-CD1 4.35Å; K162-L243 HydrophobicContact CB-CD2 3.62Å; K162-L243 HydrophobicContact CD-CD2 4.11Å; K162-L243 HydrophobicContact CG-CD2 4.5Å
163C89.8Confident87.5Confident1 Ų139.2 Ų39.21%0.00720%0.203CC..Hα-helixtrans-64.4-39.6173-71.30000110.8I159 L160 L161 T169 F390 F393I159-C163 WeakPolarHBondContact O-CB 3.4Å; I159-C163 PolarHBondContact O-N 2.84Å; I159-C163 PolarHBondContact O-SG 3.16Å; L160-C163 PolarHBondContact O-N 2.98Å; L161-C163 PolarHBondContact O-N 2.93Å; C163-T169 WeakPolarHBondContact O-CG2 3.46Å; C163-F390 HydrophobicContact CB-CD2 4.23Å; C163-F393 HydrophobicContact CB-CD2 3.76Å; C163-F393 HydrophobicContact CB-CE2 3.66Å; C163-F393 VanDerWaalsContact SG-CD2 3.53Å
164F87.8Confident86.7Confident54 Ų5441.8 Ų41.824%0.23722%0.221CC..Hα-helixtrans-67.3-41.2178.1-170.4-91.2000112.6L160 L161 K162 S166 Y386 R389L160-F164 WeakPolarHBondContact O-CB 3.11Å; L160-F164 PolarHBondContact O-N 3.12Å; L161-F164 WeakPolarHBondContact O-CB 3.17Å; L161-F164 PolarHBondContact O-N 3.06Å; K162-F164 VanDerWaalsContact C-N 3.3Å; F164-S166 VanDerWaalsContact C-N 3.31Å; F164-S166 PolarHBondContact O-N 2.79Å; F164-Y386 HydrophobicContact CB-CD1 4.33Å; F164-Y386 HydrophobicContact CB-CE1 4.08Å; F164-Y386 AromaticContact CD2-CD1 3.75Å; F164-Y386 HydrophobicContact CD2-CD1 3.75Å; F164-Y386 AromaticContact CD2-CE1 3.64Å; F164-Y386 HydrophobicContact CD2-CE1 3.64Å; F164-Y386 HydrophobicContact CD2-CG 4.47Å; F164-Y386 HydrophobicContact CE2-CD1 4.46Å; F164-Y386 HydrophobicContact CE2-CE1 4.23Å; F164-Y386 HydrophobicContact CG-CD1 4.27Å; F164-Y386 AromaticContact CG-CE1 3.86Å; F164-Y386 HydrophobicContact CG-CE1 3.86Å; F164-R389 PolarHBondContact O-NH1 2.95Å
165D88.1Confident85.6Confident122 Ų12239.4 Ų39.465%0.65221%0.21SC*.Hα-helixtrans-76.1-15.2-179.8-72.1-20.1000113.8L161 P167L161-D165 PolarHBondContact O-N 2.98Å; D165-P167 VanDerWaalsContact O-CD 3.27Å; D165-P167 WeakPolarHBondContact O-CD 3.34Å
166S88Confident84.1Confident11 Ų1134.8 Ų34.88%0.07719%0.19CC..  trans-71.1117.9-174.3177.50000112.3K162 F164 W168 T169K162-S166 WeakPolarHBondContact O-CB 3.42Å; K162-S166 PolarHBondContact O-N 3.22Å; K162-S166 VanDerWaalsContact O-N 3.17Å; F164-S166 VanDerWaalsContact C-N 3.31Å; F164-S166 PolarHBondContact O-N 2.79Å; S166-W168 PolarHBondContact O-N 3.32Å; S166-W168 VanDerWaalsContact O-N 3.12Å; S166-T169 PolarHBondContact O-N 2.93Å; S166-T169 PolarHBondContact O-OG1 3.41Å
167P85.9Confident82.3Confident50 Ų5039.4 Ų39.433%0.32522%0.217SC..Hα-helixtrans-59.6-25.1178-24.335.3000114D165 T169 T170 R171D165-P167 VanDerWaalsContact O-CD 3.27Å; D165-P167 WeakPolarHBondContact O-CD 3.34Å; P167-T169 VanDerWaalsContact C-N 3.26Å; P167-T169 PolarHBondContact O-N 3.09Å; P167-T170 PolarHBondContact O-N 3.14Å; P167-T170 PolarHBondContact O-OG1 2.69Å; P167-R171 PolarHBondContact O-N 3.23Å
168W86.4Confident80.2Confident1 Ų143.9 Ų43.90%0.00424%0.244CC..Hα-helixtrans-54.2-40.5172.5175.3-110.3000112.9S166 T170 R171 A172 L232 A240 F244 F393 S398 K401 L402 L405S166-W168 PolarHBondContact O-N 3.32Å; S166-W168 VanDerWaalsContact O-N 3.12Å; W168-T170 PolarHBondContact O-N 3.18Å; W168-R171 PolarHBondContact O-N 3.47Å; W168-A172 HydrophobicContact CZ2-CB 4.45Å; W168-A172 WeakPolarHBondContact O-CB 3.3Å; W168-A172 PolarHBondContact O-N 2.96Å; W168-L232 HydrophobicContact CE3-CD2 3.95Å; W168-A240 HydrophobicContact CB-CB 3.87Å; W168-A240 HydrophobicContact CG-CB 4.02Å; W168-F244 AromaticContact NE1-CE2 3.76Å; W168-F244 AromaticContact NE1-CZ 3.88Å; W168-F393 AromaticContact CD1-CE1 4Å; W168-S398 WeakPolarHBondContact CZ2-O 3.27Å; W168-S398 PolarHBondContact NE1-OG 2.9Å; W168-K401 HydrophobicContact CH2-CB 4.24Å; W168-K401 HydrophobicContact CZ2-CB 4.43Å; W168-L402 HydrophobicContact CD2-CD1 3.87Å; W168-L402 HydrophobicContact CE3-CD1 3.75Å; W168-L402 HydrophobicContact CH2-CB 3.9Å; W168-L402 HydrophobicContact CH2-CD1 4.22Å; W168-L402 HydrophobicContact CZ2-CB 3.61Å; W168-L402 HydrophobicContact CZ2-CD1 4.34Å; W168-L402 HydrophobicContact CZ3-CB 4.48Å; W168-L402 HydrophobicContact CZ3-CD1 3.93Å; W168-L405 HydrophobicContact CH2-CD1 3.77Å; W168-L405 HydrophobicContact CZ3-CD1 3.48Å; W168-L405 VanDerWaalsContact CZ3-CD1 3.48Å
169T85.3Confident78.1Confident0 Ų045.5 Ų45.50%025%0.246CC..Hα-helixtrans-65.6-41.4-177.1570000112.2C163 S166 P167 R171 A172 L173 R389 F393C163-T169 WeakPolarHBondContact O-CG2 3.46Å; S166-T169 PolarHBondContact O-N 2.93Å; S166-T169 PolarHBondContact O-OG1 3.41Å; P167-T169 VanDerWaalsContact C-N 3.26Å; P167-T169 PolarHBondContact O-N 3.09Å; T169-R171 VanDerWaalsContact C-N 3.3Å; T169-R171 PolarHBondContact O-N 3.12Å; T169-A172 PolarHBondContact O-N 3.22Å; T169-L173 WeakPolarHBondContact O-CB 3.07Å; T169-L173 VanDerWaalsContact O-CG 3.25Å; T169-L173 WeakPolarHBondContact O-CG 3.22Å; T169-L173 PolarHBondContact O-N 3.01Å; T169-R389 HydrophobicContact CG2-CB 4.44Å; T169-F393 HydrophobicContact CG2-CD2 3.78Å; T169-F393 HydrophobicContact CG2-CE2 3.02Å; T169-F393 HydrophobicContact CG2-CZ 3.62Å
170T83.6Confident75.6Confident67 Ų6751.6 Ų51.641%0.41127%0.274SS..Hα-helixtrans-64.4-37.9178.239.40000111.5P167 W168 S174P167-T170 PolarHBondContact O-N 3.14Å; P167-T170 PolarHBondContact O-OG1 2.69Å; W168-T170 PolarHBondContact O-N 3.18Å; T170-S174 WeakPolarHBondContact O-CB 3.02Å; T170-S174 PolarHBondContact O-N 3.28Å; T170-S174 PolarHBondContact O-OG 2.92Å
171R81Confident72.9Confident31 Ų3155.1 Ų55.112%0.11730%0.299CS..Hα-helixtrans-67.9-49.9175.1-178.8-179176.5131.85112.1P167 W168 T169 L173 S174 E175 T229 G230P167-R171 PolarHBondContact O-N 3.23Å; W168-R171 PolarHBondContact O-N 3.47Å; T169-R171 VanDerWaalsContact C-N 3.3Å; T169-R171 PolarHBondContact O-N 3.12Å; R171-L173 PolarHBondContact O-N 2.96Å; R171-S174 WeakPolarHBondContact CA-OG 3.25Å; R171-S174 PolarHBondContact O-N 3.34Å; R171-S174 VanDerWaalsContact O-N 3.07Å; R171-S174 PolarHBondContact O-OG 3.5Å; R171-E175 HydrophobicContact CG-CG 4.49Å; R171-E175 WeakPolarHBondContact CG-OE1 3.32Å; R171-E175 IonicContact CZ-OE1 3.77Å; R171-E175 IonicContact NE-OE1 2.71Å; R171-E175 PolarHBondContact NE-OE1 3Å; R171-E175 IonicContact NH2-OE1 2.63Å; R171-E175 WeakPolarHBondContact O-CG 3.46Å; R171-E175 PolarHBondContact O-N 3.19Å; R171-T229 PolarHBondContact NH1-O 2.89Å; R171-G230 PolarHBondContact NH1-O 3.45Å
172A79.1Confident70.1Confident0 Ų059.1 Ų59.10%032%0.321CS..Hα-helixtrans-60.1-32.9-179.600000112.2W168 T169 Y362 V392W168-A172 HydrophobicContact CZ2-CB 4.45Å; W168-A172 WeakPolarHBondContact O-CB 3.3Å; W168-A172 PolarHBondContact O-N 2.96Å; T169-A172 PolarHBondContact O-N 3.22Å; A172-Y362 PolarHBondContact O-OH 2.94Å; A172-V392 HydrophobicContact CB-CG1 3.58Å
173L76.4Confident67.3Low44 Ų4460.5 Ų60.523%0.2334%0.337CS..Hα-helixtrans-80.9-30.1174.2-68.8170.4000113.3T169 R171 T176 V177 R389 V392T169-L173 WeakPolarHBondContact O-CB 3.07Å; T169-L173 VanDerWaalsContact O-CG 3.25Å; T169-L173 WeakPolarHBondContact O-CG 3.22Å; T169-L173 PolarHBondContact O-N 3.01Å; R171-L173 PolarHBondContact O-N 2.96Å; L173-T176 PolarHBondContact O-OG1 2.97Å; L173-V177 WeakPolarHBondContact O-CG2 3.39Å; L173-V177 PolarHBondContact O-N 2.93Å; L173-R389 HydrophobicContact CD1-CG 3.98Å; L173-V392 HydrophobicContact CD1-CG2 4.46Å; L173-V392 HydrophobicContact CD2-CG2 3.77Å; L173-V392 HydrophobicContact CG-CG2 3.9Å
174S74.3Confident64.4Low55 Ų5569.8 Ų69.839%0.38538%0.378SS..Hα-helixtrans-70.6-37.9174.860.10000111.9T170 R171 T176 V177 V178T170-S174 WeakPolarHBondContact O-CB 3.02Å; T170-S174 PolarHBondContact O-N 3.28Å; T170-S174 PolarHBondContact O-OG 2.92Å; R171-S174 WeakPolarHBondContact CA-OG 3.25Å; R171-S174 PolarHBondContact O-N 3.34Å; R171-S174 VanDerWaalsContact O-N 3.07Å; R171-S174 PolarHBondContact O-OG 3.5Å; S174-T176 VanDerWaalsContact C-N 3.26Å; S174-T176 PolarHBondContact O-N 2.94Å; S174-V177 PolarHBondContact O-N 2.85Å; S174-V177 VanDerWaalsContact O-N 3.16Å; S174-V178 WeakPolarHBondContact O-CG2 3.31Å; S174-V178 PolarHBondContact O-N 2.95Å
175E64.8Low61.7Low50 Ų5073.3 Ų73.323%0.23441%0.406CS..Hα-helixtrans-61.7-35177.8-72.5175.8-170.300111.5R171 K401R171-E175 HydrophobicContact CG-CG 4.49Å; R171-E175 WeakPolarHBondContact CG-OE1 3.32Å; R171-E175 IonicContact CZ-OE1 3.77Å; R171-E175 IonicContact NE-OE1 2.71Å; R171-E175 PolarHBondContact NE-OE1 3Å; R171-E175 IonicContact NH2-OE1 2.63Å; R171-E175 WeakPolarHBondContact O-CG 3.46Å; R171-E175 PolarHBondContact O-N 3.19Å; E175-K401 IonicContact OE2-NZ 3.98Å
176T59.3Low58.9Low10 Ų1072.2 Ų72.26%0.06141%0.414CS..Hα-helixtrans-73-25.8176.554.80000114.1L173 S174 S361 Y362L173-T176 PolarHBondContact O-OG1 2.97Å; S174-T176 VanDerWaalsContact C-N 3.26Å; S174-T176 PolarHBondContact O-N 2.94Å; T176-S361 VanDerWaalsContact CG2-OG 3.29Å; T176-S361 WeakPolarHBondContact CG2-OG 3.39Å; T176-Y362 HydrophobicContact CG2-CD2 3.85Å; T176-Y362 HydrophobicContact CG2-CE2 3.33Å
177V52.8Low56Low96 Ų9682.3 Ų82.358%0.58246%0.457SS*.Hα-helixtrans-83-31.1-179.6174.70000111.5L173 S174 E179 E180L173-V177 WeakPolarHBondContact O-CG2 3.39Å; L173-V177 PolarHBondContact O-N 2.93Å; S174-V177 PolarHBondContact O-N 2.85Å; S174-V177 VanDerWaalsContact O-N 3.16Å; V177-E179 VanDerWaalsContact C-N 3.35Å; V177-E180 PolarHBondContact O-N 3.02Å
178V47.7Very low53.2Low98 Ų9883.4 Ų83.459%0.59448%0.477SS*.Hα-helixtrans-66.9-37.3176.6175.30000111S174 E180 S181S174-V178 WeakPolarHBondContact O-CG2 3.31Å; S174-V178 PolarHBondContact O-N 2.95Å; V178-E180 PolarHBondContact O-N 2.98Å; V178-S181 PolarHBondContact O-N 3.27Å; V178-S181 VanDerWaalsContact O-N 3.1Å; V178-S181 PolarHBondContact O-OG 2.76Å
179E47Very low50.4Low89 Ų8993.3 Ų93.342%0.41652%0.52SS..THydrogen-bonded Turntrans-61-25.5175.8-73.2177.7169.400113.7V177 S361V177-E179 VanDerWaalsContact C-N 3.35Å; E179-S361 PolarHBondContact OE2-OG 3.46Å
180E39Very low47.6Very low143 Ų143102.3 Ų102.367%0.66857%0.565SS**THydrogen-bonded Turntrans-84.9-17.2176-82.6-162.3139.200114.2V177 V178 D182V177-E180 PolarHBondContact O-N 3.02Å; V178-E180 PolarHBondContact O-N 2.98Å; E180-D182 VanDerWaalsContact C-N 3.32Å; E180-D182 PolarHBondContact O-N 2.63Å
181S33.4Very low44.9Very low77 Ų77106.9 Ų106.954%0.53859%0.587SS.*  trans-81.2-6.6-172.466.50000114.9V178 T183V178-S181 PolarHBondContact O-N 3.27Å; V178-S181 VanDerWaalsContact O-N 3.1Å; V178-S181 PolarHBondContact O-OG 2.76Å; S181-T183 PolarHBondContact O-N 3.42Å
182D31.9Very low42.2Very low144 Ų144109 Ų10977%0.7762%0.618SS**SBendtrans-7691.9169.1-83.5-26.2000111.3E180E180-D182 VanDerWaalsContact C-N 3.32Å; E180-D182 PolarHBondContact O-N 2.63Å
183T31.3Very low39.5Very low127 Ų127114.9 Ų114.978%0.77966%0.659SS**  trans-45.1131.3-17445.70000117.1S181S181-T183 PolarHBondContact O-N 3.42Å
184K29.8Very low37.1Very low196 Ų196120.7 Ų120.785%0.85269%0.687SS**PPolyproline II helixtrans-54.6135.2155-72.1170.5178.2164.90110.2
185P31Very low34.8Very low129 Ų129125.8 Ų125.884%0.83871%0.71SS**PPolyproline II helixtrans-72.3134.7167.57.14000110.7
186A28.8Very low32.9Very low99 Ų99132.6 Ų132.682%0.81874%0.739SS**PPolyproline II helixtrans-63.1142.2-177.900000113.5G188A186-G188 PolarHBondContact O-N 2.79Å; A186-G188 VanDerWaalsContact O-N 3.16Å
187F28Very low31.3Very low223 Ų223142.1 Ų142.198%0.97878%0.779SS**  trans-61.4107.2165.7-99.2-96.6000110.5
188G27.4Very low29.8Very low72 Ų72142.7 Ų142.774%0.74279%0.788SS**  trans-94.1115.6162.500000110.5A186A186-G188 PolarHBondContact O-N 2.79Å; A186-G188 VanDerWaalsContact O-N 3.16Å
189K26.8Very low28.7Very low209 Ų209143.9 Ų143.991%0.90980%0.8SS**  trans-67.3125.9164-79.3176.1173.9175.10109.2
190M26.9Very low27.5Very low190 Ų190146.1 Ų146.194%0.93682%0.82SS**  trans-156.5143.3145.6-148.9118.8135.500111.5
191N25.2Very low26.8Very low163 Ų163146.1 Ų146.187%0.87283%0.83SS**  trans-69.2155.8-170.4-63.9-36.6000115
192G24.7Very low26.4Very low75 Ų75147.6 Ų147.677%0.77384%0.84SS**  108.5114.5127.300000119.7
193S23.9Very low26Very low124 Ų124149 Ų14987%0.86784%0.842SS**  trans83117.7141.4-163.50000121.8
194M25.5Very low25.6Very low165 Ų165151.2 Ų151.281%0.81385%0.849SS**  trans-9.3135.1144.9-86.4152.457.200117.7
195D24.6Very low25.5Very low163 Ų163148.2 Ų148.287%0.87285%0.847SS**  -163.7146.2112.2-105.9-31.4000115.2
196K25.4Very low25.2Very low193 Ų193151.5 Ų151.584%0.83985%0.851SS**  trans-73.9147.8175.1-75.2169.7171172.70111.2
197K25.2Very low25.1Very low209 Ų209150.8 Ų150.891%0.90985%0.845SS**  -173.9142123.6-104166.4-174.6177.70114
198S21.4Very low25Very low108 Ų108146.9 Ų146.976%0.75584%0.839SS**  trans-67.4151174.951.30000114.5
199S25.2Very low24.9Very low123 Ų123149.1 Ų149.186%0.8684%0.839SS**  -161.4136.4129.549.80000112.2
200T22.6Very low24.9Very low136 Ų136145.2 Ų145.283%0.83483%0.834SS**  trans-83.8137.3177.3-5.80000110.2
201V24.3Very low24.7Very low144 Ų144143.9 Ų143.987%0.87383%0.828SS**  trans-149.9146.8140.7-179.40000108.7
202S24.4Very low24.9Very low107 Ų107143.8 Ų143.875%0.74883%0.826SS**  trans-74.9164.7-153.937.60000119.5
203E24Very low24.9Very low173 Ų173148.7 Ų148.781%0.80883%0.829SS**  trans-44.3142.6167.9-64.5165.1146.300115.3
204D23.6Very low24.9Very low175 Ų175153 Ų15394%0.93683%0.826SS**  trans-142.7137.5135.7-92-34.4000109.5
205V27.7Very low24.8Very low133 Ų133150.5 Ų150.581%0.80682%0.821SS**  trans-88.5123.1-1661720000110.1
206E24.7Very low24.7Very low198 Ų198151.9 Ų151.993%0.92582%0.819SS**  trans-136.2129.5159.5-115.2178.9-176.800111.4
207A26.5Very low24.6Very low83 Ų83147.7 Ų147.769%0.68681%0.814SS**  trans-77.4123.2-162.400000113.8
208T24.4Very low24.6Very low141 Ų141148.9 Ų148.987%0.86581%0.813SS**  trans1797.6140.232.50000119.2
209V26.8Very low24.9Very low120 Ų120150.1 Ų150.173%0.72781%0.81SS**  trans-103.3142.5143.4178.40000106.7M211V209-M211 PolarHBondContact O-N 3.48Å
210P25.3Very low25Very low126 Ų126153.2 Ų153.282%0.81881%0.81SS**  trans-64.8112.1-172.7-10.524.6000109.6L212P210-L212 PolarHBondContact O-N 2.73Å
211M24Very low25.4Very low162 Ų162155 Ų15580%0.79881%0.809SS**  trans-63.3121.7173.9-69.2-150.794.200109.2V209 Q213V209-M211 PolarHBondContact O-N 3.48Å; M211-Q213 PolarHBondContact O-N 3.2Å
212L27.9Very low25.6Very low161 Ų161150.7 Ų150.784%0.84379%0.794SS**  trans-47.3128.5150.8-97.996.9000107.7P210 R214P210-L212 PolarHBondContact O-N 2.73Å; L212-R214 PolarHBondContact O-N 3.23Å
213Q25.1Very low26.1Very low178 Ų178152 Ų15283%0.83279%0.791SS**  trans-45.1114.4169.3-79.3171-31.300108.9M211 T215M211-Q213 PolarHBondContact O-N 3.2Å; Q213-T215 PolarHBondContact O-N 3.23Å
214R24.3Very low26.8Very low214 Ų214148.5 Ų148.581%0.80878%0.782SS**  trans-70.675.3172.9-159.6178.3-170.7-179.54.3107.5L212 K216L212-R214 PolarHBondContact O-N 3.23Å; R214-K216 PolarHBondContact O-N 3.48Å
215T22.6Very low27Very low114 Ų114147.6 Ų147.670%0.69978%0.777SS**  trans-64.9104.515837.90000105.8Q213 S217Q213-T215 PolarHBondContact O-N 3.23Å; T215-S217 PolarHBondContact O-N 2.9Å
216K24.3Very low27.3Very low191 Ų191150.9 Ų150.983%0.8378%0.775SS**  trans-61.381.1158.5-82.5179171.8178.80106.7R214 R218R214-K216 PolarHBondContact O-N 3.48Å; K216-R218 PolarHBondContact O-N 3.38Å
217S23.1Very low27.9Very low105 Ų105146.4 Ų146.473%0.73477%0.765SS**  trans-67.1110.3159.649.40000105.7T215 I219T215-S217 PolarHBondContact O-N 2.9Å; S217-I219 PolarHBondContact O-N 2.85Å; S217-I219 VanDerWaalsContact O-N 3.07Å
218R23.7Very low28.4Very low235 Ų235148.9 Ų148.989%0.88776%0.763SS**  trans-52111173.1-168.1178.1-174.3-173.7-1.4107.8K216 E220K216-R218 PolarHBondContact O-N 3.38Å; R218-E220 PolarHBondContact O-N 2.92Å
219I28.2Very low29Very low134 Ų134146.9 Ų146.969%0.68775%0.75SS**  trans2.799.3160.4-55.7167.4000113.3S217 Q221S217-I219 PolarHBondContact O-N 2.85Å; S217-I219 VanDerWaalsContact O-N 3.07Å; I219-Q221 HydrophobicContact CG2-CB 3.8Å; I219-Q221 HydrophobicContact CG2-CG 3.64Å; I219-Q221 PolarHBondContact O-N 3.33Å
220E28.2Very low29.9Very low187 Ų187144.2 Ų144.287%0.87475%0.747SS**  trans-84.793.4156-79.8177169.800106.8R218R218-E220 PolarHBondContact O-N 2.92Å
221Q29.6Very low31.4Very low174 Ų174143.8 Ų143.881%0.81374%0.742SS**  trans-106.121167-93.3-179.3-35.700111.4I219I219-Q221 HydrophobicContact CG2-CB 3.8Å; I219-Q221 HydrophobicContact CG2-CG 3.64Å; I219-Q221 PolarHBondContact O-N 3.33Å
222G29.1Very low33.3Very low53 Ų53136.7 Ų136.755%0.54671%0.707SS.*  trans-94-6.4-17000000117.6
223I36.3Very low35.3Very low134 Ų134133.6 Ų133.669%0.68769%0.691SS**SBendtrans-101.94.4-172.6-63.1174.2000113.1
224V37.1Very low37.8Very low101 Ų101130.4 Ų130.461%0.61268%0.675SS**  trans-132.856.9-176.9-159.90000111.3P463V224-P463 HydrophobicContact CG2-CG 3.91Å
225D28.2Very low40.6Very low156 Ų156127 Ų12783%0.83467%0.666SS**SBendtrans-116.5132.9145.7-92.2-32.8000108S227D225-S227 PolarHBondContact O-N 3.24Å
226R34.6Very low43.5Very low201 Ų201124.7 Ų124.776%0.75865%0.647SS**  trans-33124-173.2-75171.1159.3-169.13.3112E228R226-E228 HydrophobicContact CB-CB 4.47Å; R226-E228 HydrophobicContact CB-CG 4.05Å; R226-E228 WeakPolarHBondContact CD-OE1 3.02Å; R226-E228 IonicContact CZ-OE1 2.99Å; R226-E228 IonicContact NE-OE1 2.65Å; R226-E228 IonicContact NH1-OE1 2.69Å; R226-E228 PolarHBondContact NH1-OE1 3.48Å; R226-E228 PolarHBondContact O-N 2.98Å
227S37.6Very low46.3Very low104 Ų104115.6 Ų115.673%0.72761%0.607SS**  trans-65.962.7164.457.90000110.6D225 T229D225-S227 PolarHBondContact O-N 3.24Å; S227-T229 VanDerWaalsContact C-N 3.33Å; S227-T229 PolarHBondContact O-N 2.84Å
228E36.6Very low49.4Very low136 Ų136113.9 Ų113.964%0.63659%0.588SS**  trans-90.965.5172-84.5-177.7-164.800108.8R226R226-E228 HydrophobicContact CB-CB 4.47Å; R226-E228 HydrophobicContact CB-CG 4.05Å; R226-E228 WeakPolarHBondContact CD-OE1 3.02Å; R226-E228 IonicContact CZ-OE1 2.99Å; R226-E228 IonicContact NE-OE1 2.65Å; R226-E228 IonicContact NH1-OE1 2.69Å; R226-E228 PolarHBondContact NH1-OE1 3.48Å; R226-E228 PolarHBondContact O-N 2.98Å
229T37.2Very low52.4Low99 Ų99107.4 Ų107.461%0.60757%0.568SS**SBendtrans-149.3118.6155470000109.8R171 S227R171-T229 PolarHBondContact NH1-O 2.89Å; S227-T229 VanDerWaalsContact C-N 3.33Å; S227-T229 PolarHBondContact O-N 2.84Å
230G46.1Very low55.3Low64 Ų64101 Ų10166%0.6654%0.535SS*.  trans29.7102.3169.400000117.4R171 L232R171-G230 PolarHBondContact NH1-O 3.45Å; G230-L232 PolarHBondContact O-N 3.23Å
231V56.2Low58.2Low117 Ų11796 Ų9671%0.70951%0.511SS*.  trans-48.9114.7166.6177.60000108.2D233 N409V231-D233 PolarHBondContact O-N 2.87Å; V231-D233 VanDerWaalsContact O-N 3.13Å; V231-N409 WeakPolarHBondContact CG1-OD1 3.39Å
232L64.1Low61.2Low12 Ų1289.6 Ų89.66%0.06349%0.487CS..  trans-56.5120.4171.5-16884.8000106.4W168 G230 K234 E236 G237 L402 N409W168-L232 HydrophobicContact CE3-CD2 3.95Å; G230-L232 PolarHBondContact O-N 3.23Å; L232-K234 PolarHBondContact O-N 2.81Å; L232-E236 HydrophobicContact CD1-CB 3.96Å; L232-E236 VanDerWaalsContact CD1-OE2 3.29Å; L232-E236 WeakPolarHBondContact CD1-OE2 3.18Å; L232-E236 HydrophobicContact CD2-CB 4.3Å; L232-E236 HydrophobicContact CG-CB 3.79Å; L232-G237 VanDerWaalsContact CD2-CA 3.46Å; L232-L402 HydrophobicContact CD2-CD1 3.92Å; L232-N409 PolarHBondContact O-ND2 3.48Å
233D69.1Low64.2Low96 Ų9687.8 Ų87.851%0.51347%0.465SS..  trans-59144.3-177.8-172.110.8000108.6V231 K235 E236 G237V231-D233 PolarHBondContact O-N 2.87Å; V231-D233 VanDerWaalsContact O-N 3.13Å; D233-K235 PolarHBondContact O-N 3.31Å; D233-E236 HydrophobicContact CB-CG 4.4Å; D233-E236 WeakPolarHBondContact O-CB 3.49Å; D233-E236 PolarHBondContact O-N 3.29Å; D233-G237 PolarHBondContact O-N 3.07Å; D233-G237 VanDerWaalsContact O-N 3.12Å
234K78.8Confident66.8Low112 Ų11281.4 Ų81.449%0.48743%0.432SS..Hα-helixtrans-50.9-34.1-177.5-177176.4-179.3174.80111.5L232 E238L232-K234 PolarHBondContact O-N 2.81Å; K234-E238 PolarHBondContact O-N 2.8Å
235K82.6Confident69.4Low142 Ų14282.5 Ų82.562%0.61743%0.43SS*.Hα-helixtrans-64.8-42.4176.4-172-179.9178.3-174.70113.1D233 Q239D233-K235 PolarHBondContact O-N 3.31Å; K235-Q239 VanDerWaalsContact O-CG 3.24Å; K235-Q239 WeakPolarHBondContact O-CG 3.33Å; K235-Q239 PolarHBondContact O-N 3.48Å; K235-Q239 VanDerWaalsContact O-N 3.09Å
236E82.6Confident72.4Confident65 Ų6580 Ų8030%0.30441%0.412SS..Hα-helixtrans-71-36.5-180-67.3-178.1171.800111.3L232 D233 Q239 A240L232-E236 HydrophobicContact CD1-CB 3.96Å; L232-E236 VanDerWaalsContact CD1-OE2 3.29Å; L232-E236 WeakPolarHBondContact CD1-OE2 3.18Å; L232-E236 HydrophobicContact CD2-CB 4.3Å; L232-E236 HydrophobicContact CG-CB 3.79Å; D233-E236 HydrophobicContact CB-CG 4.4Å; D233-E236 WeakPolarHBondContact O-CB 3.49Å; D233-E236 PolarHBondContact O-N 3.29Å; E236-Q239 PolarHBondContact O-N 3.07Å; E236-A240 WeakPolarHBondContact O-CB 3.04Å; E236-A240 PolarHBondContact O-N 3.18Å
237G84.5Confident75.2Confident0 Ų070.5 Ų70.50%038%0.376CS..Hα-helixtrans-63.2-42.7175.500000113.9L232 D233 A240 K241 N406L232-G237 VanDerWaalsContact CD2-CA 3.46Å; D233-G237 PolarHBondContact O-N 3.07Å; D233-G237 VanDerWaalsContact O-N 3.12Å; G237-A240 PolarHBondContact O-N 3.01Å; G237-K241 WeakPolarHBondContact O-CB 2.84Å; G237-K241 PolarHBondContact O-N 2.88Å; G237-N406 VanDerWaalsContact CA-OD1 3.28Å; G237-N406 WeakPolarHBondContact CA-OD1 3.19Å; G237-N406 PolarHBondContact O-ND2 2.81Å
238E86.3Confident77.7Confident70 Ų7069.8 Ų69.833%0.32736%0.36SS..Hα-helixtrans-70.6-35.7174.8-73.7-59.914300112.4K234 K241 A242K234-E238 PolarHBondContact O-N 2.8Å; E238-K241 PolarHBondContact O-N 2.99Å; E238-A242 WeakPolarHBondContact O-CB 3.25Å; E238-A242 PolarHBondContact O-N 2.78Å
239Q88.5Confident80.3Confident98 Ų9871.2 Ų71.246%0.45836%0.364SS..Hα-helixtrans-61.6-46172.7-76.9176.4-4.500111.5K235 E236 A242 L243K235-Q239 VanDerWaalsContact O-CG 3.24Å; K235-Q239 WeakPolarHBondContact O-CG 3.33Å; K235-Q239 PolarHBondContact O-N 3.48Å; K235-Q239 VanDerWaalsContact O-N 3.09Å; E236-Q239 PolarHBondContact O-N 3.07Å; Q239-A242 PolarHBondContact O-N 2.87Å; Q239-L243 WeakPolarHBondContact O-CG 3.32Å; Q239-L243 PolarHBondContact O-N 3.05Å
240A89.1Confident82.8Confident0 Ų067 Ų670%034%0.338CS..Hα-helixtrans-62.5-43.1177.100000111.5W168 E236 G237 A242 L243 F244 F393 L402W168-A240 HydrophobicContact CB-CB 3.87Å; W168-A240 HydrophobicContact CG-CB 4.02Å; E236-A240 WeakPolarHBondContact O-CB 3.04Å; E236-A240 PolarHBondContact O-N 3.18Å; G237-A240 PolarHBondContact O-N 3.01Å; A240-A242 PolarHBondContact O-N 3Å; A240-L243 WeakPolarHBondContact O-CA 3.48Å; A240-L243 WeakPolarHBondContact O-CB 3.28Å; A240-L243 PolarHBondContact O-N 3.18Å; A240-F244 VanDerWaalsContact O-CD2 3.24Å; A240-F244 WeakPolarHBondContact O-CD2 3.17Å; A240-F244 PolarHBondContact O-N 3.22Å; A240-F393 HydrophobicContact CB-CE1 4.42Å; A240-L402 HydrophobicContact CB-CD1 4.21Å; A240-L402 HydrophobicContact CB-CD2 3.54Å
241K89.4Confident84.9Confident83 Ų8367 Ų6736%0.36132%0.318SS..Hα-helixtrans-58.4-46175.4-177.9-176.7174.4-172.90112.2G237 E238 L243 F244 E245 L402G237-K241 WeakPolarHBondContact O-CB 2.84Å; G237-K241 PolarHBondContact O-N 2.88Å; E238-K241 PolarHBondContact O-N 2.99Å; K241-L243 PolarHBondContact O-N 2.87Å; K241-F244 PolarHBondContact O-N 3.13Å; K241-E245 PolarHBondContact O-N 3.19Å; K241-L402 HydrophobicContact CB-CD2 4.41Å
242A91.1Very high86.4Confident39 Ų3965.4 Ų65.432%0.32231%0.308SS..Hα-helixtrans-64-29.3175.600000112.7E238 Q239 A240 K246E238-A242 WeakPolarHBondContact O-CB 3.25Å; E238-A242 PolarHBondContact O-N 2.78Å; Q239-A242 PolarHBondContact O-N 2.87Å; A240-A242 PolarHBondContact O-N 3Å; A242-K246 WeakPolarHBondContact O-CB 3.19Å; A242-K246 VanDerWaalsContact O-CG 3.27Å; A242-K246 WeakPolarHBondContact O-CG 3.13Å; A242-K246 PolarHBondContact O-N 2.74Å; A242-K246 VanDerWaalsContact O-N 3.17Å
243L92Very high87.5Confident14 Ų1470.2 Ų70.27%0.07333%0.33CS..Hα-helixtrans-70.9-42.9173.5-70.2171.7000112K162 Q239 A240 K241 E245 K246 V247 F393K162-L243 HydrophobicContact CB-CD1 4.35Å; K162-L243 HydrophobicContact CB-CD2 3.62Å; K162-L243 HydrophobicContact CD-CD2 4.11Å; K162-L243 HydrophobicContact CG-CD2 4.5Å; Q239-L243 WeakPolarHBondContact O-CG 3.32Å; Q239-L243 PolarHBondContact O-N 3.05Å; A240-L243 WeakPolarHBondContact O-CA 3.48Å; A240-L243 WeakPolarHBondContact O-CB 3.28Å; A240-L243 PolarHBondContact O-N 3.18Å; K241-L243 PolarHBondContact O-N 2.87Å; L243-E245 VanDerWaalsContact C-N 3.32Å; L243-E245 PolarHBondContact O-N 2.78Å; L243-K246 PolarHBondContact O-N 2.89Å; L243-V247 WeakPolarHBondContact O-CB 3.35Å; L243-V247 VanDerWaalsContact O-CG2 3.28Å; L243-V247 WeakPolarHBondContact O-CG2 3.36Å; L243-V247 PolarHBondContact O-N 3.08Å; L243-F393 HydrophobicContact CB-CD1 4.33Å; L243-F393 HydrophobicContact CB-CE1 3.98Å; L243-F393 HydrophobicContact CB-CZ 4.46Å; L243-F393 HydrophobicContact CD1-CE1 4.37Å; L243-F393 HydrophobicContact CD1-CZ 4.1Å
244F91.5Very high88.4Confident1 Ų165.6 Ų65.60%0.00431%0.306CS..Hα-helixtrans-55.1-46.9174.3-84-80.4000111.7W168 A240 K241 K246 V247 K248 F393 E399 L402W168-F244 AromaticContact NE1-CE2 3.76Å; W168-F244 AromaticContact NE1-CZ 3.88Å; A240-F244 VanDerWaalsContact O-CD2 3.24Å; A240-F244 WeakPolarHBondContact O-CD2 3.17Å; A240-F244 PolarHBondContact O-N 3.22Å; K241-F244 PolarHBondContact O-N 3.13Å; F244-K246 PolarHBondContact O-N 2.66Å; F244-V247 PolarHBondContact O-N 3.29Å; F244-K248 WeakPolarHBondContact O-CG 3.43Å; F244-K248 PolarHBondContact O-N 3.38Å; F244-F393 HydrophobicContact CD1-CB 4.46Å; F244-F393 HydrophobicContact CD1-CD1 4.19Å; F244-F393 VanDerWaalsContact CD1-O 3.27Å; F244-F393 WeakPolarHBondContact CD1-O 3.37Å; F244-F393 AromaticContact CD2-CD1 3.77Å; F244-F393 HydrophobicContact CD2-CD1 3.77Å; F244-F393 HydrophobicContact CD2-CE1 4.11Å; F244-F393 VanDerWaalsContact CE1-CA 3.47Å; F244-F393 HydrophobicContact CE1-CB 4.32Å; F244-F393 HydrophobicContact CE1-CD1 4.08Å; F244-F393 WeakPolarHBondContact CE1-O 3.42Å; F244-F393 AromaticContact CE2-CD1 3.6Å; F244-F393 HydrophobicContact CE2-CD1 3.6Å; F244-F393 AromaticContact CE2-CE1 3.88Å; F244-F393 HydrophobicContact CE2-CE1 3.88Å; F244-F393 HydrophobicContact CG-CD1 4.05Å; F244-F393 AromaticContact CZ-CD1 3.77Å; F244-F393 HydrophobicContact CZ-CD1 3.77Å; F244-F393 HydrophobicContact CZ-CE1 4.39Å; F244-E399 HydrophobicContact CD1-CB 3.97Å; F244-E399 HydrophobicContact CD1-CG 4.19Å; F244-E399 HydrophobicContact CE1-CB 3.82Å; F244-E399 HydrophobicContact CE1-CG 4.48Å; F244-E399 HydrophobicContact CG-CB 4.42Å; F244-E399 HydrophobicContact CG-CG 4.21Å; F244-E399 HydrophobicContact CZ-CB 4.19Å; F244-L402 HydrophobicContact CD2-CD2 3.78Å; F244-L402 HydrophobicContact CE2-CD2 3.63Å
245E91.1Very high88.8Confident123 Ų12362.5 Ų62.558%0.57529%0.293SS*.Hα-helixtrans-62.8-42.8177.2-69.9-176.8-178.900112.5K241 L243 K248 K249K241-E245 PolarHBondContact O-N 3.19Å; L243-E245 VanDerWaalsContact C-N 3.32Å; L243-E245 PolarHBondContact O-N 2.78Å; E245-K248 PolarHBondContact O-N 2.92Å; E245-K249 WeakPolarHBondContact O-CB 3.15Å; E245-K249 PolarHBondContact O-N 3.32Å
246K92.3Very high88.8Confident105 Ų10563.4 Ų63.446%0.45730%0.299SS..Hα-helixtrans-63.7-43177-77174.1-175.4174.60111.9A242 L243 F244 K249 F250A242-K246 WeakPolarHBondContact O-CB 3.19Å; A242-K246 VanDerWaalsContact O-CG 3.27Å; A242-K246 WeakPolarHBondContact O-CG 3.13Å; A242-K246 PolarHBondContact O-N 2.74Å; A242-K246 VanDerWaalsContact O-N 3.17Å; L243-K246 PolarHBondContact O-N 2.89Å; F244-K246 PolarHBondContact O-N 2.66Å; K246-K249 PolarHBondContact O-N 3.06Å; K246-F250 WeakPolarHBondContact O-CB 3.35Å; K246-F250 PolarHBondContact O-N 2.86Å
247V92.6Very high88.8Confident0 Ų061.3 Ų61.30%030%0.295CS..Hα-helixtrans-62.8-47177.8170.10000110.3I159 L243 F244 F250 R251 F390 F393 L394I159-V247 HydrophobicContact CG2-CG2 3.62Å; L243-V247 WeakPolarHBondContact O-CB 3.35Å; L243-V247 VanDerWaalsContact O-CG2 3.28Å; L243-V247 WeakPolarHBondContact O-CG2 3.36Å; L243-V247 PolarHBondContact O-N 3.08Å; F244-V247 PolarHBondContact O-N 3.29Å; V247-F250 PolarHBondContact O-N 3.39Å; V247-R251 VanDerWaalsContact O-CB 3.31Å; V247-R251 WeakPolarHBondContact O-CB 3.31Å; V247-R251 PolarHBondContact O-N 3.46Å; V247-F390 HydrophobicContact CG1-CE1 4.4Å; V247-F390 HydrophobicContact CG1-CZ 3.87Å; V247-F390 HydrophobicContact CG2-CE2 4.23Å; V247-F390 HydrophobicContact CG2-CZ 4.35Å; V247-F393 HydrophobicContact CG2-CB 4.19Å; V247-L394 HydrophobicContact CG1-CD2 3.72Å; V247-L394 HydrophobicContact CG1-CG 4.38Å
248K89.9Confident89.1Confident89 Ų8962.7 Ų62.739%0.38730%0.302SS..Hα-helixtrans-59.7-49.7176.7-74-178.3-177.8-176.40112.1F244 E245 F250 R251 T252 E399F244-K248 WeakPolarHBondContact O-CG 3.43Å; F244-K248 PolarHBondContact O-N 3.38Å; E245-K248 PolarHBondContact O-N 2.92Å; K248-F250 VanDerWaalsContact C-N 3.35Å; K248-F250 PolarHBondContact O-N 3.27Å; K248-R251 WeakPolarHBondContact O-CB 3.15Å; K248-R251 PolarHBondContact O-N 2.88Å; K248-T252 PolarHBondContact O-N 2.75Å; K248-T252 VanDerWaalsContact O-N 3.17Å; K248-T252 PolarHBondContact O-OG1 3.32Å; K248-E399 VanDerWaalsContact CE-OE2 3.26Å; K248-E399 WeakPolarHBondContact CE-OE2 3.32Å; K248-E399 IonicContact NZ-OE1 3.77Å; K248-E399 IonicContact NZ-OE2 3.18Å; K248-E399 PolarHBondContact NZ-OE2 3.42Å
249K90.9Very high89.4Confident166 Ų16661.7 Ų61.772%0.72230%0.299SS*.Hα-helixtrans-63.3-41.5179.4-172.4174-176.3175.40112.1E245 K246 H253E245-K249 WeakPolarHBondContact O-CB 3.15Å; E245-K249 PolarHBondContact O-N 3.32Å; K246-K249 PolarHBondContact O-N 3.06Å; K249-H253 PolarHBondContact O-N 3.2Å; K249-H253 VanDerWaalsContact O-N 3.13Å
250F90.3Very high89.6Confident12 Ų1257 Ų575%0.05328%0.277CS..Hα-helixtrans-66.6-41.4178.2179.4-102000111.9H155 F156 I159 K246 V247 K248 T252 H253 V254 F372 M375H155-F250 HydrophobicContact CB-CD2 3.91Å; H155-F250 HydrophobicContact CB-CE2 3.46Å; H155-F250 VanDerWaalsContact CB-CE2 3.46Å; H155-F250 HydrophobicContact CB-CZ 4.38Å; F156-F250 HydrophobicContact CB-CE1 4.1Å; F156-F250 HydrophobicContact CB-CZ 3.63Å; F156-F250 AromaticContact CD2-CE1 3.64Å; F156-F250 HydrophobicContact CD2-CE1 3.64Å; F156-F250 HydrophobicContact CD2-CZ 4.07Å; F156-F250 HydrophobicContact CG-CE1 4.33Å; F156-F250 HydrophobicContact CG-CZ 4.31Å; I159-F250 HydrophobicContact CD1-CB 3.47Å; I159-F250 VanDerWaalsContact CD1-CB 3.47Å; I159-F250 HydrophobicContact CD1-CD1 3.83Å; I159-F250 HydrophobicContact CD1-CD2 3.78Å; I159-F250 HydrophobicContact CD1-CG 3.39Å; K246-F250 WeakPolarHBondContact O-CB 3.35Å; K246-F250 PolarHBondContact O-N 2.86Å; V247-F250 PolarHBondContact O-N 3.39Å; K248-F250 VanDerWaalsContact C-N 3.35Å; K248-F250 PolarHBondContact O-N 3.27Å; F250-T252 PolarHBondContact O-N 3.39Å; F250-H253 PolarHBondContact O-N 3.05Å; F250-V254 HydrophobicContact CD1-CG2 4.3Å; F250-V254 HydrophobicContact CD2-CG2 3.92Å; F250-V254 HydrophobicContact CE1-CB 4.45Å; F250-V254 HydrophobicContact CE1-CG2 3.8Å; F250-V254 HydrophobicContact CE2-CG2 3.39Å; F250-V254 HydrophobicContact CG-CG2 4.35Å; F250-V254 HydrophobicContact CZ-CB 4.37Å; F250-V254 HydrophobicContact CZ-CG2 3.33Å; F250-V254 WeakPolarHBondContact O-CG2 3.46Å; F250-V254 PolarHBondContact O-N 3.16Å; F250-F372 HydrophobicContact CD1-CD2 4.13Å; F250-F372 AromaticContact CD1-CE2 3.69Å; F250-F372 HydrophobicContact CD1-CE2 3.69Å; F250-F372 AromaticContact CE1-CD2 3.76Å; F250-F372 HydrophobicContact CE1-CD2 3.76Å; F250-F372 AromaticContact CE1-CE2 3.61Å; F250-F372 HydrophobicContact CE1-CE2 3.61Å; F250-M375 HydrophobicContact CZ-CE 4.33Å
251R89.9Confident89.8Confident64 Ų6458.9 Ų58.924%0.24228%0.284CS..Hα-helixtrans-54.4-53.8174.4178.4-175.6175.2-1690.7110.8V247 K248 H253 V254 E255V247-R251 VanDerWaalsContact O-CB 3.31Å; V247-R251 WeakPolarHBondContact O-CB 3.31Å; V247-R251 PolarHBondContact O-N 3.46Å; K248-R251 WeakPolarHBondContact O-CB 3.15Å; K248-R251 PolarHBondContact O-N 2.88Å; R251-H253 VanDerWaalsContact C-N 3.32Å; R251-H253 PolarHBondContact O-N 3.21Å; R251-V254 PolarHBondContact O-N 2.85Å; R251-E255 VanDerWaalsContact CG-CD 3.49Å; R251-E255 HydrophobicContact CG-CG 4.04Å; R251-E255 WeakPolarHBondContact CG-OE1 3.47Å; R251-E255 IonicContact CZ-OE1 2.73Å; R251-E255 IonicContact NE-OE1 3.2Å; R251-E255 PolarHBondContact NE-OE1 3.07Å; R251-E255 IonicContact NE-OE2 2.92Å; R251-E255 IonicContact NH2-OE1 3.95Å; R251-E255 WeakPolarHBondContact O-CB 2.99Å; R251-E255 WeakPolarHBondContact O-CG 3.4Å; R251-E255 PolarHBondContact O-N 2.82Å
252T87.4Confident89.9Confident83 Ų8361 Ų6151%0.50929%0.29SS..Hα-helixtrans-58.4-44.2179.3-48.80000111.6K248 F250 V254K248-T252 PolarHBondContact O-N 2.75Å; K248-T252 VanDerWaalsContact O-N 3.17Å; K248-T252 PolarHBondContact O-OG1 3.32Å; F250-T252 PolarHBondContact O-N 3.39Å; T252-V254 PolarHBondContact O-N 3.25Å
253H87.8Confident89.9Confident112 Ų11260.4 Ų60.452%0.51928%0.281SS..Hα-helixtrans-64.8-35.8-179.8-177.964.1000113.9K249 F250 R251K249-H253 PolarHBondContact O-N 3.2Å; K249-H253 VanDerWaalsContact O-N 3.13Å; F250-H253 PolarHBondContact O-N 3.05Å; R251-H253 VanDerWaalsContact C-N 3.32Å; R251-H253 PolarHBondContact O-N 3.21Å
254V88.3Confident89.9Confident0 Ų060 Ų600%028%0.279CS..Hα-helixtrans-88.7-36.1-175.6175.50000112.6K152 F250 R251 T252 E256 G257 D371 F372 M375K152-V254 HydrophobicContact CD-CG1 4.49Å; K152-V254 HydrophobicContact CD-CG2 4.42Å; K152-V254 HydrophobicContact CG-CG2 4.46Å; F250-V254 HydrophobicContact CD1-CG2 4.3Å; F250-V254 HydrophobicContact CD2-CG2 3.92Å; F250-V254 HydrophobicContact CE1-CB 4.45Å; F250-V254 HydrophobicContact CE1-CG2 3.8Å; F250-V254 HydrophobicContact CE2-CG2 3.39Å; F250-V254 HydrophobicContact CG-CG2 4.35Å; F250-V254 HydrophobicContact CZ-CB 4.37Å; F250-V254 HydrophobicContact CZ-CG2 3.33Å; F250-V254 WeakPolarHBondContact O-CG2 3.46Å; F250-V254 PolarHBondContact O-N 3.16Å; R251-V254 PolarHBondContact O-N 2.85Å; T252-V254 PolarHBondContact O-N 3.25Å; V254-E256 PolarHBondContact O-N 3.02Å; V254-G257 PolarHBondContact O-N 3.28Å; V254-D371 HydrophobicContact CG1-CB 3.72Å; V254-F372 HydrophobicContact CB-CB 4.4Å; V254-F372 HydrophobicContact CB-CD2 4.36Å; V254-F372 HydrophobicContact CG1-CB 3.81Å; V254-F372 HydrophobicContact CG1-CD2 4.25Å; V254-M375 HydrophobicContact CG1-CE 3.56Å
255E87Confident90Very high46 Ų4661.2 Ų61.222%0.21529%0.285CS..Hα-helixtrans-61.5-24.1-179.9-78.2-174.8165.900112.9R251 G257 N370 F372R251-E255 VanDerWaalsContact CG-CD 3.49Å; R251-E255 HydrophobicContact CG-CG 4.04Å; R251-E255 WeakPolarHBondContact CG-OE1 3.47Å; R251-E255 IonicContact CZ-OE1 2.73Å; R251-E255 IonicContact NE-OE1 3.2Å; R251-E255 PolarHBondContact NE-OE1 3.07Å; R251-E255 IonicContact NE-OE2 2.92Å; R251-E255 IonicContact NH2-OE1 3.95Å; R251-E255 WeakPolarHBondContact O-CB 2.99Å; R251-E255 WeakPolarHBondContact O-CG 3.4Å; R251-E255 PolarHBondContact O-N 2.82Å; E255-G257 VanDerWaalsContact C-N 3.27Å; E255-G257 PolarHBondContact O-N 2.62Å; E255-N370 PolarHBondContact O-ND2 2.83Å; E255-F372 HydrophobicContact CG-CB 4.2Å
256E82.9Confident90.1Very high161 Ų16162.8 Ų62.875%0.75229%0.286SS*.THydrogen-bonded Turntrans-67.5-20.9177.8-73.9177.5-175.400114.2V254V254-E256 PolarHBondContact O-N 3.02Å
257G83.1Confident90.1Very high21 Ų2158.5 Ų58.522%0.21627%0.267CS..  trans-122.7155.9-174.700000114.6V254 E255 N370 D371V254-G257 PolarHBondContact O-N 3.28Å; E255-G257 VanDerWaalsContact C-N 3.27Å; E255-G257 PolarHBondContact O-N 2.62Å; G257-N370 WeakPolarHBondContact O-CB 3.46Å; G257-D371 VanDerWaalsContact C-OD2 3.28Å; G257-D371 VanDerWaalsContact O-CB 3.28Å; G257-D371 WeakPolarHBondContact O-CB 3.38Å; G257-D371 PolarHBondContact O-N 2.93Å; G257-D371 VanDerWaalsContact O-OD2 3.08Å
258D90.8Very high90.2Very high30 Ų3058.6 Ų58.616%0.1627%0.268CS..  trans-125.527.7173.372.3-19.3000112.8R262 K349 D371D258-R262 WeakPolarHBondContact O-CB 3.49Å; D258-R262 VanDerWaalsContact O-CG 3.28Å; D258-R262 WeakPolarHBondContact O-CG 3.39Å; D258-R262 PolarHBondContact O-N 3.25Å; D258-R262 IonicContact OD1-CZ 3.58Å; D258-R262 IonicContact OD1-NE 3.36Å; D258-R262 PolarHBondContact OD1-NE 2.89Å; D258-R262 IonicContact OD1-NH2 2.8Å; D258-R262 PolarHBondContact OD1-NH2 3.04Å; D258-R262 VanDerWaalsContact OD1-NH2 3.12Å; D258-R262 IonicContact OD2-CZ 2.77Å; D258-R262 IonicContact OD2-NE 3.62Å; D258-R262 PolarHBondContact OD2-NE 2.77Å; D258-R262 IonicContact OD2-NH2 2.76Å; D258-R262 PolarHBondContact OD2-NH2 2.89Å; D258-K349 IonicContact OD2-NZ 2.75Å; D258-K349 PolarHBondContact OD2-NZ 3Å; D258-D371 VanDerWaalsContact CA-CG 3.42Å; D258-D371 WeakPolarHBondContact CA-OD1 3.19Å; D258-D371 PolarHBondContact N-OD2 3.08Å
259I91.9Very high90.4Very high49 Ų4957.5 Ų57.525%0.25127%0.265SS..Hα-helixtrans-69.9-36.6-173.8-168167000112.1F146 R148 T149 K152 L263 D371F146-I259 HydrophobicContact CE1-CD1 4.49Å; R148-I259 HydrophobicContact CB-CD1 4.04Å; T149-I259 HydrophobicContact CG2-CG1 4.35Å; T149-I259 HydrophobicContact CG2-CG2 4.23Å; K152-I259 HydrophobicContact CD-CG2 4.44Å; I259-L263 HydrophobicContact CG1-CD1 3.99Å; I259-L263 HydrophobicContact CG1-CG 4.48Å; I259-L263 WeakPolarHBondContact O-CB 3.3Å; I259-L263 WeakPolarHBondContact O-CG 3.44Å; I259-L263 PolarHBondContact O-N 3.3Å; I259-D371 PolarHBondContact N-OD1 2.8Å; I259-D371 PolarHBondContact N-OD2 3.04Å
260V92.1Very high90.5Very high0 Ų053.2 Ų53.20%025%0.25CC..Hα-helixtrans-66.4-50.9179.3-177.90000108.7W143 T149 K152 L153 R262 L263 Y264 D371 F374 M375W143-V260 HydrophobicContact CE3-CG1 3.83Å; W143-V260 HydrophobicContact CZ3-CG1 3.76Å; T149-V260 HydrophobicContact CG2-CG2 4.06Å; K152-V260 HydrophobicContact CB-CG2 4.49Å; K152-V260 HydrophobicContact CD-CG2 4.17Å; L153-V260 HydrophobicContact CD2-CG1 4.16Å; V260-R262 PolarHBondContact O-N 3.18Å; V260-L263 PolarHBondContact O-N 3.1Å; V260-Y264 WeakPolarHBondContact O-CB 3.47Å; V260-Y264 PolarHBondContact O-N 2.95Å; V260-D371 WeakPolarHBondContact CA-OD1 3.39Å; V260-D371 HydrophobicContact CB-CB 4.37Å; V260-D371 VanDerWaalsContact CB-OD1 3.32Å; V260-D371 WeakPolarHBondContact CB-OD1 3.39Å; V260-D371 HydrophobicContact CG2-CB 4.39Å; V260-D371 PolarHBondContact N-OD1 2.96Å; V260-D371 PolarHBondContact N-OD2 3.36Å; V260-F374 HydrophobicContact CG1-CD1 4Å; V260-F374 HydrophobicContact CG1-CE1 4.04Å; V260-M375 HydrophobicContact CG1-CG 4.42Å
261Y92.7Very high90.7Very high38 Ų3853.1 Ų53.115%0.14925%0.249CC..Hα-helixtrans-58.5-46.7176.9172.3-97.3000112.3L263 Y264 M265 M343 L348 K349 D371 F374Y261-L263 PolarHBondContact O-N 3.46Å; Y261-Y264 PolarHBondContact O-N 3.33Å; Y261-M265 WeakPolarHBondContact O-CB 3.45Å; Y261-M265 PolarHBondContact O-N 2.74Å; Y261-M343 HydrophobicContact CD2-CE 4.29Å; Y261-M343 HydrophobicContact CE2-CE 3.96Å; Y261-L348 HydrophobicContact CD2-CB 4.49Å; Y261-L348 HydrophobicContact CE2-CB 4.14Å; Y261-K349 HydrophobicContact CD1-CD 4.38Å; Y261-K349 HydrophobicContact CD1-CG 4.22Å; Y261-K349 HydrophobicContact CE1-CD 4.31Å; Y261-K349 HydrophobicContact CE1-CG 4.24Å; Y261-K349 HydrophobicContact CG-CG 4.38Å; Y261-D371 PolarHBondContact N-OD1 3.03Å; Y261-F374 HydrophobicContact CD2-CB 4.38Å; Y261-F374 AromaticContact CD2-CD2 3.67Å; Y261-F374 HydrophobicContact CD2-CD2 3.67Å; Y261-F374 HydrophobicContact CD2-CE2 4.05Å; Y261-F374 AromaticContact CD2-CG 3.94Å; Y261-F374 HydrophobicContact CD2-CG 3.94Å; Y261-F374 HydrophobicContact CE2-CD2 4.44Å
262R91.9Very high91Very high128 Ų12850.6 Ų50.648%0.48324%0.241SC..Hα-helixtrans-62.9-42.9-179.5-77.6-175-158.4-134.22.4112.6D258 V260 R266D258-R262 WeakPolarHBondContact O-CB 3.49Å; D258-R262 VanDerWaalsContact O-CG 3.28Å; D258-R262 WeakPolarHBondContact O-CG 3.39Å; D258-R262 PolarHBondContact O-N 3.25Å; D258-R262 IonicContact OD1-CZ 3.58Å; D258-R262 IonicContact OD1-NE 3.36Å; D258-R262 PolarHBondContact OD1-NE 2.89Å; D258-R262 IonicContact OD1-NH2 2.8Å; D258-R262 PolarHBondContact OD1-NH2 3.04Å; D258-R262 VanDerWaalsContact OD1-NH2 3.12Å; D258-R262 IonicContact OD2-CZ 2.77Å; D258-R262 IonicContact OD2-NE 3.62Å; D258-R262 PolarHBondContact OD2-NE 2.77Å; D258-R262 IonicContact OD2-NH2 2.76Å; D258-R262 PolarHBondContact OD2-NH2 2.89Å; V260-R262 PolarHBondContact O-N 3.18Å; R262-R266 WeakPolarHBondContact O-CB 3.4Å; R262-R266 VanDerWaalsContact O-CG 3.25Å; R262-R266 WeakPolarHBondContact O-CG 3.2Å; R262-R266 PolarHBondContact O-N 2.65Å
263L91.9Very high91.4Very high27 Ų2750.9 Ų50.914%0.14124%0.238CC..Hα-helixtrans-65.6-45.6179-80.5170.5000110.8F142 F146 T149 I259 V260 Y261 M265 R266 Q267F142-L263 HydrophobicContact CD1-CD2 4.29Å; F142-L263 HydrophobicContact CE1-CD1 4.47Å; F142-L263 HydrophobicContact CE1-CD2 3.85Å; F146-L263 HydrophobicContact CD1-CD1 4.05Å; F146-L263 HydrophobicContact CE1-CD1 4.41Å; T149-L263 HydrophobicContact CG2-CD1 3.36Å; I259-L263 HydrophobicContact CG1-CD1 3.99Å; I259-L263 HydrophobicContact CG1-CG 4.48Å; I259-L263 WeakPolarHBondContact O-CB 3.3Å; I259-L263 WeakPolarHBondContact O-CG 3.44Å; I259-L263 PolarHBondContact O-N 3.3Å; V260-L263 PolarHBondContact O-N 3.1Å; Y261-L263 PolarHBondContact O-N 3.46Å; L263-M265 PolarHBondContact O-N 2.88Å; L263-R266 PolarHBondContact O-N 2.91Å; L263-Q267 VanDerWaalsContact C-OE1 3.28Å; L263-Q267 VanDerWaalsContact O-CG 3.28Å; L263-Q267 WeakPolarHBondContact O-CG 3.26Å; L263-Q267 PolarHBondContact O-N 3.26Å; L263-Q267 PolarHBondContact O-OE1 3.22Å; L263-Q267 VanDerWaalsContact O-OE1 3.11Å
264Y92.4Very high91.7Very high6 Ų649.3 Ų49.32%0.02423%0.23CC..Hα-helixtrans-57.2-48.7177.2-155.3-75.7000111.8W24 D25 W143 V260 Y261 R266 Q267 T268 M343 F374W24-Y264 AromaticContact CH2-CE1 3.39Å; W24-Y264 HydrophobicContact CH2-CE1 3.39Å; W24-Y264 AromaticContact CH2-CZ 3.37Å; W24-Y264 WeakPolarHBondContact CH2-OH 3.39Å; W24-Y264 AromaticContact CZ3-CE1 3.81Å; W24-Y264 HydrophobicContact CZ3-CE1 3.81Å; W24-Y264 AromaticContact CZ3-CZ 3.67Å; W24-Y264 WeakPolarHBondContact CZ3-OH 3.29Å; D25-Y264 VanDerWaalsContact CG-OH 3.22Å; D25-Y264 PolarHBondContact OD1-OH 3.38Å; D25-Y264 VanDerWaalsContact OD1-OH 3.1Å; D25-Y264 PolarHBondContact OD2-OH 2.83Å; W143-Y264 HydrophobicContact CD2-CD2 4.02Å; W143-Y264 HydrophobicContact CD2-CE2 4.38Å; W143-Y264 AromaticContact CE2-CD2 3.91Å; W143-Y264 AromaticContact CE2-CE2 3.8Å; W143-Y264 HydrophobicContact CE3-CD2 4.18Å; W143-Y264 HydrophobicContact CH2-CD2 4.25Å; W143-Y264 HydrophobicContact CH2-CE2 4.21Å; W143-Y264 HydrophobicContact CZ2-CD2 4.04Å; W143-Y264 AromaticContact CZ2-CE2 3.71Å; W143-Y264 HydrophobicContact CZ2-CE2 3.71Å; W143-Y264 HydrophobicContact CZ3-CD2 4.29Å; V260-Y264 WeakPolarHBondContact O-CB 3.47Å; V260-Y264 PolarHBondContact O-N 2.95Å; Y261-Y264 PolarHBondContact O-N 3.33Å; Y264-R266 PolarHBondContact O-N 3.23Å; Y264-Q267 PolarHBondContact O-N 3.3Å; Y264-T268 PolarHBondContact O-N 3.36Å; Y264-T268 PolarHBondContact O-OG1 2.96Å; Y264-T268 VanDerWaalsContact O-OG1 3.09Å; Y264-M343 HydrophobicContact CD1-CE 3.77Å; Y264-M343 HydrophobicContact CD1-SD 3.63Å; Y264-M343 HydrophobicContact CE1-SD 4.03Å; Y264-F374 AromaticContact CD1-CZ 3.9Å; Y264-F374 HydrophobicContact CD1-CZ 3.9Å; Y264-F374 HydrophobicContact CD2-CE1 4.21Å; Y264-F374 HydrophobicContact CD2-CZ 4Å; Y264-F374 HydrophobicContact CG-CE1 4Å; Y264-F374 AromaticContact CG-CZ 3.55Å; Y264-F374 HydrophobicContact CG-CZ 3.55Å
265M92.9Very high92Very high26 Ų2650.7 Ų50.713%0.12824%0.236CC..Hα-helixtrans-59.9-44.6177.5-171.664.6-179.300112.1Y261 L263 T268 I269 L340 M343 L344Y261-M265 WeakPolarHBondContact O-CB 3.45Å; Y261-M265 PolarHBondContact O-N 2.74Å; L263-M265 PolarHBondContact O-N 2.88Å; M265-T268 PolarHBondContact O-N 3.27Å; M265-I269 HydrophobicContact CE-CD1 4.1Å; M265-I269 HydrophobicContact CE-CG1 4.46Å; M265-I269 HydrophobicContact CG-CD1 4.07Å; M265-I269 VanDerWaalsContact O-CG1 3.27Å; M265-I269 WeakPolarHBondContact O-CG1 3.45Å; M265-I269 PolarHBondContact O-N 3.13Å; M265-L340 HydrophobicContact CE-CD1 3.58Å; M265-L340 HydrophobicContact SD-CD1 4.11Å; M265-M343 HydrophobicContact CB-CE 3.95Å; M265-M343 HydrophobicContact CG-CE 4.5Å; M265-M343 HydrophobicContact SD-CB 4.06Å; M265-M343 HydrophobicContact SD-CE 3.75Å; M265-M343 HydrophobicContact SD-SD 4.06Å; M265-L344 HydrophobicContact CE-CD2 3.41Å; M265-L344 VanDerWaalsContact CE-CD2 3.41Å; M265-L344 HydrophobicContact CE-CG 3.86Å
266R93.1Very high92.4Very high156 Ų15652.5 Ų52.559%0.58925%0.246SC*.Hα-helixtrans-64.5-41.9177.9-74.6173.9178.4-173.4-1.4111.9R262 L263 Y264 I269 I270R262-R266 WeakPolarHBondContact O-CB 3.4Å; R262-R266 VanDerWaalsContact O-CG 3.25Å; R262-R266 WeakPolarHBondContact O-CG 3.2Å; R262-R266 PolarHBondContact O-N 2.65Å; L263-R266 PolarHBondContact O-N 2.91Å; Y264-R266 PolarHBondContact O-N 3.23Å; R266-I269 PolarHBondContact O-N 3.29Å; R266-I270 WeakPolarHBondContact O-CB 3.33Å; R266-I270 WeakPolarHBondContact O-CD1 3.49Å; R266-I270 WeakPolarHBondContact O-CG1 3.31Å; R266-I270 PolarHBondContact O-N 3.17Å
267Q93.1Very high93Very high15 Ų1549.4 Ų49.47%0.0723%0.234CC..Hα-helixtrans-60.5-46.3177.2-72164.2-70.300110.9C139 L263 Y264 I270 K271C139-Q267 WeakPolarHBondContact O-CG 3.43Å; C139-Q267 PolarHBondContact O-NE2 2.9Å; L263-Q267 VanDerWaalsContact C-OE1 3.28Å; L263-Q267 VanDerWaalsContact O-CG 3.28Å; L263-Q267 WeakPolarHBondContact O-CG 3.26Å; L263-Q267 PolarHBondContact O-N 3.26Å; L263-Q267 PolarHBondContact O-OE1 3.22Å; L263-Q267 VanDerWaalsContact O-OE1 3.11Å; Y264-Q267 PolarHBondContact O-N 3.3Å; Q267-I270 PolarHBondContact O-N 3.49Å; Q267-K271 VanDerWaalsContact O-CG 3.31Å; Q267-K271 WeakPolarHBondContact O-CG 3.29Å; Q267-K271 PolarHBondContact O-N 2.76Å
268T93Very high93.5Very high2 Ų248.6 Ų48.61%0.01223%0.225CC..Hα-helixtrans-62.8-44178.2-54.60000111.9Y264 M265 I270 K271 V272 T339 L340Y264-T268 PolarHBondContact O-N 3.36Å; Y264-T268 PolarHBondContact O-OG1 2.96Å; Y264-T268 VanDerWaalsContact O-OG1 3.09Å; M265-T268 PolarHBondContact O-N 3.27Å; T268-I270 PolarHBondContact O-N 3.02Å; T268-K271 PolarHBondContact O-N 3.29Å; T268-V272 WeakPolarHBondContact O-CG2 3.22Å; T268-V272 PolarHBondContact O-N 2.95Å; T268-T339 VanDerWaalsContact CG2-OG1 3.26Å; T268-T339 WeakPolarHBondContact CG2-OG1 3.48Å; T268-L340 HydrophobicContact CG2-CB 3.86Å; T268-L340 HydrophobicContact CG2-CD1 4.3Å
269I94.6Very high93.7Very high65 Ų6548.7 Ų48.733%0.33323%0.225SC..Hα-helixtrans-60.5-46.3175.6-68.3165.7000111M265 R266 K271 V272 I273 L340M265-I269 HydrophobicContact CE-CD1 4.1Å; M265-I269 HydrophobicContact CE-CG1 4.46Å; M265-I269 HydrophobicContact CG-CD1 4.07Å; M265-I269 VanDerWaalsContact O-CG1 3.27Å; M265-I269 WeakPolarHBondContact O-CG1 3.45Å; M265-I269 PolarHBondContact O-N 3.13Å; R266-I269 PolarHBondContact O-N 3.29Å; I269-K271 VanDerWaalsContact C-N 3.34Å; I269-K271 PolarHBondContact O-N 2.77Å; I269-V272 PolarHBondContact O-N 3.12Å; I269-I273 HydrophobicContact CG2-CD1 3.73Å; I269-I273 HydrophobicContact CG2-CG1 4.38Å; I269-I273 WeakPolarHBondContact O-CG1 3.44Å; I269-I273 PolarHBondContact O-N 3.31Å; I269-L340 HydrophobicContact CG1-CD1 3.79Å
270I94.6Very high93.9Very high77 Ų7750.5 Ų50.540%0.39524%0.241SC..Hα-helixtrans-62.9-41.6179.9-68.9164000110.9R266 Q267 T268 V272 I273 K274R266-I270 WeakPolarHBondContact O-CB 3.33Å; R266-I270 WeakPolarHBondContact O-CD1 3.49Å; R266-I270 WeakPolarHBondContact O-CG1 3.31Å; R266-I270 PolarHBondContact O-N 3.17Å; Q267-I270 PolarHBondContact O-N 3.49Å; T268-I270 PolarHBondContact O-N 3.02Å; I270-V272 PolarHBondContact O-N 3.37Å; I270-I273 PolarHBondContact O-N 3.35Å; I270-K274 HydrophobicContact CG2-CG 4.4Å; I270-K274 WeakPolarHBondContact O-CB 3.44Å; I270-K274 WeakPolarHBondContact O-CG 3.13Å; I270-K274 PolarHBondContact O-N 2.61Å
271K93.7Very high93.9Very high10 Ų1053.1 Ų53.14%0.04325%0.251CS..Hα-helixtrans-58.5-46.2175-74.2172.9176.8-175.10111.4F136 C139 S140 Q267 T268 I269 K274 F275F136-K271 HydrophobicContact CD1-CG 4.47Å; C139-K271 HydrophobicContact CB-CG 4.27Å; S140-K271 WeakPolarHBondContact OG-CE 3.49Å; S140-K271 PolarHBondContact OG-NZ 3.17Å; Q267-K271 VanDerWaalsContact O-CG 3.31Å; Q267-K271 WeakPolarHBondContact O-CG 3.29Å; Q267-K271 PolarHBondContact O-N 2.76Å; T268-K271 PolarHBondContact O-N 3.29Å; I269-K271 VanDerWaalsContact C-N 3.34Å; I269-K271 PolarHBondContact O-N 2.77Å; K271-K274 PolarHBondContact O-N 2.94Å; K271-F275 WeakPolarHBondContact O-CB 3.22Å; K271-F275 PolarHBondContact O-N 2.95Å
272V95.8Very high94Very high10 Ų1051.4 Ų51.46%0.06125%0.245CC..Hα-helixtrans-63.4-45.2177.8169.70000111.8T268 I269 I270 K274 F275 I276 C336 M337 L340T268-V272 WeakPolarHBondContact O-CG2 3.22Å; T268-V272 PolarHBondContact O-N 2.95Å; I269-V272 PolarHBondContact O-N 3.12Å; I270-V272 PolarHBondContact O-N 3.37Å; V272-K274 VanDerWaalsContact C-N 3.34Å; V272-K274 PolarHBondContact O-N 2.84Å; V272-F275 WeakPolarHBondContact O-CB 3.4Å; V272-F275 PolarHBondContact O-N 2.88Å; V272-I276 HydrophobicContact CG1-CD1 4.03Å; V272-I276 WeakPolarHBondContact O-CG1 3.34Å; V272-I276 PolarHBondContact O-N 3.1Å; V272-C336 HydrophobicContact CG2-CB 3.8Å; V272-M337 HydrophobicContact CB-SD 4.34Å; V272-M337 HydrophobicContact CG1-SD 3.38Å; V272-M337 WeakPolarHBondContact CG1-SD 3.35Å; V272-M337 HydrophobicContact CG2-CG 4.48Å; V272-M337 HydrophobicContact CG2-SD 3.96Å; V272-L340 HydrophobicContact CB-CD2 4.5Å; V272-L340 HydrophobicContact CG1-CD2 4.49Å; V272-L340 HydrophobicContact CG2-CB 4.5Å; V272-L340 HydrophobicContact CG2-CD2 4.12Å
273I95.3Very high94Very high90 Ų9048.8 Ų48.846%0.46224%0.243SC..Hα-helixtrans-60.2-46.3177-68.4168.2000110.4I269 I270 I276 L277I269-I273 HydrophobicContact CG2-CD1 3.73Å; I269-I273 HydrophobicContact CG2-CG1 4.38Å; I269-I273 WeakPolarHBondContact O-CG1 3.44Å; I269-I273 PolarHBondContact O-N 3.31Å; I270-I273 PolarHBondContact O-N 3.35Å; I273-I276 PolarHBondContact O-N 3.03Å; I273-L277 HydrophobicContact CG2-CD1 4.05Å; I273-L277 WeakPolarHBondContact O-CG 3.28Å; I273-L277 PolarHBondContact O-N 2.9Å
274K94.2Very high94.1Very high78 Ų7854.9 Ų54.934%0.33927%0.265SS..Hα-helixtrans-63-43.1177.7-74.4-67-176.5-178.30111.8I135 F136 I270 K271 V272 I276 L277 I278I135-K274 HydrophobicContact CG2-CG 4.36Å; F136-K274 HydrophobicContact CE1-CB 3.79Å; F136-K274 HydrophobicContact CZ-CB 4.21Å; I270-K274 HydrophobicContact CG2-CG 4.4Å; I270-K274 WeakPolarHBondContact O-CB 3.44Å; I270-K274 WeakPolarHBondContact O-CG 3.13Å; I270-K274 PolarHBondContact O-N 2.61Å; K271-K274 PolarHBondContact O-N 2.94Å; V272-K274 VanDerWaalsContact C-N 3.34Å; V272-K274 PolarHBondContact O-N 2.84Å; K274-I276 PolarHBondContact O-N 3.46Å; K274-L277 PolarHBondContact O-N 2.97Å; K274-I278 WeakPolarHBondContact O-CB 3.39Å; K274-I278 WeakPolarHBondContact O-CD1 3.41Å; K274-I278 WeakPolarHBondContact O-CG1 3.47Å; K274-I278 PolarHBondContact O-N 2.81Å
275F94.9Very high94.2Very high29 Ų2957.5 Ų57.513%0.12728%0.275CS..Hα-helixtrans-52.9-51.5173.5155.5-109000111.9K271 V272 L277 I278 I279 V329 G333K271-F275 WeakPolarHBondContact O-CB 3.22Å; K271-F275 PolarHBondContact O-N 2.95Å; V272-F275 WeakPolarHBondContact O-CB 3.4Å; V272-F275 PolarHBondContact O-N 2.88Å; F275-L277 PolarHBondContact O-N 2.91Å; F275-I278 PolarHBondContact O-N 2.89Å; F275-I279 HydrophobicContact CD2-CG1 3.89Å; F275-I279 HydrophobicContact CE2-CD1 4.23Å; F275-I279 HydrophobicContact CE2-CG1 3.44Å; F275-I279 VanDerWaalsContact CE2-CG1 3.44Å; F275-I279 HydrophobicContact CZ-CG1 4.16Å; F275-I279 WeakPolarHBondContact O-CG1 3.42Å; F275-I279 PolarHBondContact O-N 2.95Å; F275-V329 HydrophobicContact CD2-CG1 3.71Å; F275-V329 VanDerWaalsContact CD2-O 3.24Å; F275-V329 WeakPolarHBondContact CD2-O 3.27Å; F275-V329 HydrophobicContact CE2-CG1 4.2Å; F275-V329 VanDerWaalsContact CE2-O 3.26Å; F275-V329 WeakPolarHBondContact CE2-O 3.39Å; F275-G333 VanDerWaalsContact CD2-CA 3.42Å; F275-G333 VanDerWaalsContact CG-CA 3.49Å
276I95.1Very high94.1Very high84 Ų8457.3 Ų57.343%0.43128%0.276SS..Hα-helixtrans-60-49-179.4-65.9165.7000110.4V272 I273 K274 I278 I279 C280V272-I276 HydrophobicContact CG1-CD1 4.03Å; V272-I276 WeakPolarHBondContact O-CG1 3.34Å; V272-I276 PolarHBondContact O-N 3.1Å; I273-I276 PolarHBondContact O-N 3.03Å; K274-I276 PolarHBondContact O-N 3.46Å; I276-I278 VanDerWaalsContact C-N 3.34Å; I276-I278 PolarHBondContact O-N 2.93Å; I276-I279 PolarHBondContact O-N 2.85Å; I276-C280 WeakPolarHBondContact O-CB 3.43Å; I276-C280 PolarHBondContact O-N 2.8Å; I276-C280 PolarHBondContact O-SG 2.85Å
277L95.6Very high93.9Very high96 Ų9655.7 Ų55.750%0.50328%0.278SS..Hα-helixtrans-57.5-47.7179.4-69.6172.2000111.6I273 K274 F275 I279 C280 Y281I273-L277 HydrophobicContact CG2-CD1 4.05Å; I273-L277 WeakPolarHBondContact O-CG 3.28Å; I273-L277 PolarHBondContact O-N 2.9Å; K274-L277 PolarHBondContact O-N 2.97Å; F275-L277 PolarHBondContact O-N 2.91Å; L277-I279 PolarHBondContact O-N 3.34Å; L277-C280 PolarHBondContact O-N 2.8Å; L277-Y281 WeakPolarHBondContact O-CD1 3.45Å; L277-Y281 PolarHBondContact O-N 3.06Å
278I95.2Very high93.7Very high5 Ų558 Ų583%0.02629%0.291CS..Hα-helixtrans-60.5-48.5-178.2-66.7170.4000110.7H132 F136 K274 F275 I276 Y281 T282 Y325 V329H132-I278 HydrophobicContact CB-CD1 3.83Å; H132-I278 VanDerWaalsContact CE1-CG1 3.4Å; H132-I278 WeakPolarHBondContact CE1-CG1 3.36Å; H132-I278 WeakPolarHBondContact ND1-CD1 3.15Å; F136-I278 HydrophobicContact CE2-CD1 3.65Å; F136-I278 HydrophobicContact CZ-CD1 3.57Å; K274-I278 WeakPolarHBondContact O-CB 3.39Å; K274-I278 WeakPolarHBondContact O-CD1 3.41Å; K274-I278 WeakPolarHBondContact O-CG1 3.47Å; K274-I278 PolarHBondContact O-N 2.81Å; F275-I278 PolarHBondContact O-N 2.89Å; I276-I278 VanDerWaalsContact C-N 3.34Å; I276-I278 PolarHBondContact O-N 2.93Å; I278-Y281 HydrophobicContact CB-CE1 4.4Å; I278-Y281 HydrophobicContact CG1-CE1 4.29Å; I278-T282 HydrophobicContact CG2-CG2 4.04Å; I278-T282 VanDerWaalsContact O-CB 3.28Å; I278-T282 WeakPolarHBondContact O-CB 3.39Å; I278-T282 VanDerWaalsContact O-CG2 3.22Å; I278-T282 WeakPolarHBondContact O-CG2 3.48Å; I278-T282 PolarHBondContact O-N 2.82Å; I278-T282 PolarHBondContact O-OG1 3.33Å; I278-Y325 HydrophobicContact CG2-CE1 3.97Å; I278-V329 HydrophobicContact CB-CG1 4.44Å; I278-V329 HydrophobicContact CG2-CG1 4.04Å; I278-V329 HydrophobicContact CG2-CG2 4.34Å
279I94.9Very high93.5Very high32 Ų3257.9 Ų57.916%0.16429%0.291CS..Hα-helixtrans-61.7-47.7178.9-69.1-60.1000111.3F275 I276 L277 Y281 T282 V283 I326 V329 I330F275-I279 HydrophobicContact CD2-CG1 3.89Å; F275-I279 HydrophobicContact CE2-CD1 4.23Å; F275-I279 HydrophobicContact CE2-CG1 3.44Å; F275-I279 VanDerWaalsContact CE2-CG1 3.44Å; F275-I279 HydrophobicContact CZ-CG1 4.16Å; F275-I279 WeakPolarHBondContact O-CG1 3.42Å; F275-I279 PolarHBondContact O-N 2.95Å; I276-I279 PolarHBondContact O-N 2.85Å; L277-I279 PolarHBondContact O-N 3.34Å; I279-Y281 VanDerWaalsContact C-N 3.33Å; I279-Y281 PolarHBondContact O-N 3.46Å; I279-T282 PolarHBondContact O-N 3.03Å; I279-T282 PolarHBondContact O-OG1 2.91Å; I279-V283 HydrophobicContact CG2-CG2 4.14Å; I279-V283 WeakPolarHBondContact O-CB 3.49Å; I279-V283 VanDerWaalsContact O-CG2 3.28Å; I279-V283 WeakPolarHBondContact O-CG2 3.42Å; I279-V283 PolarHBondContact O-N 3.47Å; I279-V283 VanDerWaalsContact O-N 3.11Å; I279-I326 HydrophobicContact CD1-CG2 4.11Å; I279-V329 HydrophobicContact CD1-CB 3.89Å; I279-V329 HydrophobicContact CD1-CG1 3.57Å; I279-V329 HydrophobicContact CG1-CG1 3.83Å; I279-I330 HydrophobicContact CD1-CD1 4.49Å; I279-I330 HydrophobicContact CD1-CG1 3.7Å; I279-I330 HydrophobicContact CG1-CG1 4.44Å
280C94.3Very high93.2Very high86 Ų8657.7 Ų57.758%0.58129%0.293SS*.Hα-helixtrans-55.6-47.3-177.7-720000112.2I276 L277I276-C280 WeakPolarHBondContact O-CB 3.43Å; I276-C280 PolarHBondContact O-N 2.8Å; I276-C280 PolarHBondContact O-SG 2.85Å; L277-C280 PolarHBondContact O-N 2.8Å
281Y93.6Very high92.9Very high56 Ų5658.9 Ų58.922%0.2230%0.295CS..Hα-helixtrans-82.7-37.6-175.691.6-106.2000112.5F121 L128 H132 L277 I278 I279 Y284 Y285F121-Y281 HydrophobicContact CD2-CE2 4.37Å; F121-Y281 HydrophobicContact CE2-CD2 4.45Å; F121-Y281 AromaticContact CE2-CE2 3.88Å; F121-Y281 HydrophobicContact CE2-CE2 3.88Å; L128-Y281 HydrophobicContact CD1-CE2 4.49Å; H132-Y281 AromaticContact CE1-CE1 3.52Å; H132-Y281 AromaticContact CE1-CZ 3.44Å; H132-Y281 VanDerWaalsContact CE1-CZ 3.44Å; H132-Y281 PolarHBondContact CE1-OH 3.36Å; H132-Y281 AromaticContact NE2-CE1 3.74Å; H132-Y281 AromaticContact NE2-CZ 3.81Å; H132-Y281 PolarHBondContact NE2-OH 3.42Å; L277-Y281 WeakPolarHBondContact O-CD1 3.45Å; L277-Y281 PolarHBondContact O-N 3.06Å; I278-Y281 HydrophobicContact CB-CE1 4.4Å; I278-Y281 HydrophobicContact CG1-CE1 4.29Å; I279-Y281 VanDerWaalsContact C-N 3.33Å; I279-Y281 PolarHBondContact O-N 3.46Å; Y281-Y284 PolarHBondContact O-N 3.28Å; Y281-Y285 HydrophobicContact CD2-CD2 4.03Å; Y281-Y285 HydrophobicContact CD2-CE2 4.43Å; Y281-Y285 WeakPolarHBondContact O-CD2 3.5Å; Y281-Y285 PolarHBondContact O-N 3.19Å; Y281-Y285 VanDerWaalsContact O-N 3.11Å
282T93.2Very high92.6Very high2 Ų261.7 Ų61.71%0.01231%0.311CS..Hα-helixtrans-67.7-42.7-177.553.60000111.7F121 I278 I279 Y284 Y285 V286 Y325F121-T282 HydrophobicContact CE2-CG2 4.28Å; F121-T282 HydrophobicContact CZ-CG2 4.3Å; I278-T282 HydrophobicContact CG2-CG2 4.04Å; I278-T282 VanDerWaalsContact O-CB 3.28Å; I278-T282 WeakPolarHBondContact O-CB 3.39Å; I278-T282 VanDerWaalsContact O-CG2 3.22Å; I278-T282 WeakPolarHBondContact O-CG2 3.48Å; I278-T282 PolarHBondContact O-N 2.82Å; I278-T282 PolarHBondContact O-OG1 3.33Å; I279-T282 PolarHBondContact O-N 3.03Å; I279-T282 PolarHBondContact O-OG1 2.91Å; T282-Y284 VanDerWaalsContact C-N 3.27Å; T282-Y284 PolarHBondContact O-N 3.32Å; T282-Y285 PolarHBondContact O-N 3.48Å; T282-V286 WeakPolarHBondContact O-CG2 3.47Å; T282-V286 PolarHBondContact O-N 2.86Å; T282-Y325 HydrophobicContact CG2-CE1 4.35Å
283V93.8Very high92.3Very high73 Ų7362.1 Ų62.144%0.44231%0.313SS..Hα-helixtrans-61-38.1175.9173.90000111.3I279 I326I279-V283 HydrophobicContact CG2-CG2 4.14Å; I279-V283 WeakPolarHBondContact O-CB 3.49Å; I279-V283 VanDerWaalsContact O-CG2 3.28Å; I279-V283 WeakPolarHBondContact O-CG2 3.42Å; I279-V283 PolarHBondContact O-N 3.47Å; I279-V283 VanDerWaalsContact O-N 3.11Å; V283-I326 HydrophobicContact CG2-CD1 4.05Å; V283-I326 HydrophobicContact CG2-CG2 4.06Å
284Y93.8Very high91.9Very high155 Ų15561.6 Ų61.661%0.60831%0.311SS*.Hα-helixtrans-64.6-46.9177.9-178.1-99.7000112.4Y281 T282Y281-Y284 PolarHBondContact O-N 3.28Å; T282-Y284 VanDerWaalsContact C-N 3.27Å; T282-Y284 PolarHBondContact O-N 3.32Å
285Y93.4Very high91.7Very high61 Ų6157.9 Ų57.924%0.23930%0.295CS..Hα-helixtrans-87.1-11.4-174.1-68.3-65.5000115.6H119 W120 F121 Y281 T282 N287 N288H119-Y285 AromaticContact CE1-CD1 3.36Å; H119-Y285 WeakPolarHBondContact CE1-CD1 3.49Å; H119-Y285 AromaticContact CE1-CE1 3.85Å; H119-Y285 AromaticContact NE2-CD1 3.68Å; H119-Y285 AromaticContact NE2-CE1 3.86Å; W120-Y285 HydrophobicContact CH2-CE2 4.32Å; W120-Y285 HydrophobicContact CZ2-CD2 4.18Å; W120-Y285 HydrophobicContact CZ2-CE1 4.18Å; W120-Y285 AromaticContact CZ2-CE2 3.79Å; W120-Y285 HydrophobicContact CZ2-CE2 3.79Å; W120-Y285 AromaticContact CZ2-CZ 3.78Å; F121-Y285 HydrophobicContact CB-CG 4.41Å; F121-Y285 WeakPolarHBondContact CD1-O 3.35Å; F121-Y285 HydrophobicContact CG-CG 4.38Å; Y281-Y285 HydrophobicContact CD2-CD2 4.03Å; Y281-Y285 HydrophobicContact CD2-CE2 4.43Å; Y281-Y285 WeakPolarHBondContact O-CD2 3.5Å; Y281-Y285 PolarHBondContact O-N 3.19Å; Y281-Y285 VanDerWaalsContact O-N 3.11Å; T282-Y285 PolarHBondContact O-N 3.48Å; Y285-N287 PolarHBondContact O-N 3.32Å; Y285-N288 WeakPolarHBondContact O-CB 3.45Å; Y285-N288 PolarHBondContact O-N 2.86Å
286V91.8Very high91.3Very high22 Ų2259.2 Ų59.213%0.13330%0.301CS..Hα-helixtrans-58.2-34.5175.4167.50000112F121 T282 N288 I289 A322 I326F121-V286 HydrophobicContact CE1-CG2 4.26Å; T282-V286 WeakPolarHBondContact O-CG2 3.47Å; T282-V286 PolarHBondContact O-N 2.86Å; V286-N288 PolarHBondContact O-N 3.01Å; V286-I289 PolarHBondContact O-N 3.35Å; V286-A322 HydrophobicContact CG2-CB 3.93Å; V286-I326 HydrophobicContact CG2-CD1 3.52Å
287N88.3Confident90.9Very high121 Ų12155.7 Ų55.765%0.64728%0.283SS*.THydrogen-bonded Turntrans-65.6-22.8178.3-68.9-27.7000112.8Y285 I289Y285-N287 PolarHBondContact O-N 3.32Å; N287-I289 VanDerWaalsContact C-N 3.27Å; N287-I289 PolarHBondContact O-N 2.59Å
288N88.4Confident90.4Very high63 Ų6357.5 Ų57.534%0.33729%0.294SS..THydrogen-bonded Turntrans-80.5-4-179.7-66.26.8000113.4H119 Y285 V286 T290H119-N288 HydrophobicContact CB-CB 4.31Å; H119-N288 PolarHBondContact CD2-ND2 3.14Å; H119-N288 VanDerWaalsContact CD2-ND2 3.31Å; H119-N288 PolarHBondContact NE2-ND2 2.93Å; Y285-N288 WeakPolarHBondContact O-CB 3.45Å; Y285-N288 PolarHBondContact O-N 2.86Å; V286-N288 PolarHBondContact O-N 3.01Å; N288-T290 PolarHBondContact O-N 3.02Å
289I89Confident90Very high0 Ų058.1 Ų58.10%030%0.297CS..  trans-84.394.4175.5-56.3176.4000108.7F121 A122 V286 N287 A315 F318 K319F121-I289 HydrophobicContact CD1-CD1 4.02Å; F121-I289 HydrophobicContact CD1-CG1 4.14Å; F121-I289 HydrophobicContact CE1-CD1 3.95Å; A122-I289 HydrophobicContact CB-CG1 4.16Å; V286-I289 PolarHBondContact O-N 3.35Å; N287-I289 VanDerWaalsContact C-N 3.27Å; N287-I289 PolarHBondContact O-N 2.59Å; I289-A315 HydrophobicContact CG2-CB 3.8Å; I289-A315 VanDerWaalsContact CG2-O 3.28Å; I289-A315 WeakPolarHBondContact CG2-O 3.4Å; I289-F318 HydrophobicContact CD1-CB 4.44Å; I289-F318 HydrophobicContact CG2-CB 4.43Å; I289-K319 HydrophobicContact CB-CD 4.46Å; I289-K319 HydrophobicContact CB-CG 3.87Å; I289-K319 HydrophobicContact CG2-CG 3.89Å; I289-K319 WeakPolarHBondContact O-CD 3.23Å; I289-K319 WeakPolarHBondContact O-CE 3.33Å; I289-K319 PolarHBondContact O-NZ 2.96Å
290T88.4Confident89.5Confident61 Ų6161.8 Ų61.837%0.37431%0.313SS..  trans-108.6149.9-178.758.60000112.3N288 D292 A315N288-T290 PolarHBondContact O-N 3.02Å; T290-D292 WeakPolarHBondContact CB-O 3.45Å; T290-D292 PolarHBondContact OG1-O 2.92Å; T290-A315 WeakPolarHBondContact O-CB 3.45Å
291F89.2Confident89.1Confident102 Ų10263.7 Ų63.745%0.44733%0.327SS..SBendtrans-73.6-46.6176.9178.2-95.5000111.1A311 H312 T316F291-A311 HydrophobicContact CE1-CB 4.23Å; F291-A311 HydrophobicContact CZ-CB 4.23Å; F291-A311 CarbonylContact O-C 3.56Å; F291-A311 WeakPolarHBondContact O-CA 3.3Å; F291-H312 PolarHBondContact O-N 2.69Å; F291-T316 HydrophobicContact CD2-CG2 4.33Å
292D87.2Confident88.7Confident70 Ų7065.7 Ų65.737%0.37434%0.341SS..EExtended strand (participates in β ladder)trans-95.9137.8173.4-70-22.8000110.3T290 R309 C310T290-D292 WeakPolarHBondContact CB-O 3.45Å; T290-D292 PolarHBondContact OG1-O 2.92Å; D292-R309 IonicContact OD2-CZ 3.65Å; D292-R309 IonicContact OD2-NE 3.38Å; D292-R309 IonicContact OD2-NH2 2.69Å; D292-R309 PolarHBondContact OD2-NH2 3.39Å; D292-C310 CarbonylContact C-O 3.59Å; D292-C310 WeakPolarHBondContact CA-O 3.28Å
293V88.6Confident88.4Confident19 Ų1965.8 Ų65.812%0.11534%0.342CS..EExtended strand (participates in β ladder)trans-133.1119.7174.9-1780000108.8R117 L118 C295 C310R117-V293 HydrophobicContact CB-CG1 4.27Å; L118-V293 HydrophobicContact CD1-CG2 4.43Å; V293-C295 PolarHBondContact O-N 3.33Å; V293-C310 HydrophobicContact CB-CB 4.5Å; V293-C310 PolarHBondContact N-O 3.49Å; V293-C310 WeakPolarHBondContact O-CB 3.37Å; V293-C310 PolarHBondContact O-N 3.28Å
294D87.6Confident88Confident78 Ų7864.8 Ų64.842%0.41735%0.347SS..EExtended strand (participates in β ladder)trans-78.1118.7171.8-70.2-37.1000109.7
295C89.3Confident87.6Confident0 Ų059.4 Ų59.40%033%0.325CS..EExtended strand (participates in β ladder)trans-107.2101.1-177.2-179.30000110.9C113 R117 V293 Y308C113-C295 WeakPolarHBondContact CA-SG 3.33Å; C113-C295 HydrophobicContact CB-CB 3.77Å; C113-C295 WeakPolarHBondContact CB-SG 3.49Å; C113-C295 WeakPolarHBondContact SG-CB 2.85Å; C113-C295 CovalentContact SG-SG 2.03Å; C113-C295 PolarHBondContact SG-SG 2.99Å; R117-C295 HydrophobicContact CG-CB 4.26Å; V293-C295 PolarHBondContact O-N 3.33Å; C295-Y308 PolarHBondContact N-O 3.05Å; C295-Y308 PolarHBondContact O-N 3.5Å
296K87.5Confident87.1Confident58 Ų5862 Ų6225%0.25234%0.335SS..EExtended strand (participates in β ladder)trans-93.5110.6167.2-173.2167.8174.8173.10109.2D63 R117 M307D63-K296 IonicContact OD1-NZ 2.75Å; D63-K296 PolarHBondContact OD1-NZ 2.94Å; D63-K296 IonicContact OD2-NZ 3.6Å; D63-K296 PolarHBondContact OD2-NZ 3.33Å; R117-K296 VanDerWaalsContact CZ-O 3.24Å; R117-K296 PolarHBondContact NE-O 3.3Å; R117-K296 PolarHBondContact NH2-O 3.23Å; K296-M307 HydrophobicContact CB-CE 4.22Å; K296-M307 HydrophobicContact CB-SD 3.43Å; K296-M307 WeakPolarHBondContact CB-SD 3.38Å; K296-M307 HydrophobicContact CD-SD 3.81Å; K296-M307 HydrophobicContact CG-SD 3.53Å; K296-M307 VanDerWaalsContact CG-SD 3.53Å
297V85.9Confident86.9Confident9 Ų961.1 Ų61.16%0.05533%0.329CS..  trans-139.7140-179.2-76.60000109.7V112 R117 I299 Y308V112-V297 HydrophobicContact CG1-CB 4.27Å; V112-V297 HydrophobicContact CG1-CG1 4.11Å; V112-V297 HydrophobicContact CG1-CG2 4.38Å; R117-V297 HydrophobicContact CG-CG1 4.35Å; V297-I299 HydrophobicContact CB-CG1 4.44Å; V297-I299 HydrophobicContact CG2-CD1 3.71Å; V297-I299 HydrophobicContact CG2-CG1 3.77Å; V297-I299 PolarHBondContact O-N 3.42Å; V297-Y308 HydrophobicContact CG2-CD2 4.07Å; V297-Y308 HydrophobicContact CG2-CE2 4.22Å
298D84.3Confident86.9Confident135 Ų13555.5 Ų55.572%0.72230%0.299SS*.SBendtrans-8463.3-174.3-61-40.9000111.2
299I87.9Confident87Confident17 Ų1756.5 Ų56.59%0.08730%0.298CS..  trans-11513.3178.558175.6000113.1Y108 V109 V112 V297 S301 L302 T303 Y308Y108-I299 HydrophobicContact CE1-CD1 4.42Å; Y108-I299 HydrophobicContact CE1-CG2 4.28Å; V109-I299 HydrophobicContact CG2-CD1 3.89Å; V112-I299 HydrophobicContact CG1-CG2 4.33Å; V297-I299 HydrophobicContact CB-CG1 4.44Å; V297-I299 HydrophobicContact CG2-CD1 3.71Å; V297-I299 HydrophobicContact CG2-CG1 3.77Å; V297-I299 PolarHBondContact O-N 3.42Å; I299-S301 PolarHBondContact O-N 3.21Å; I299-S301 VanDerWaalsContact O-N 3.12Å; I299-L302 PolarHBondContact O-N 3.18Å; I299-T303 HydrophobicContact CD1-CG2 4.46Å; I299-T303 PolarHBondContact O-N 3.23Å; I299-T303 VanDerWaalsContact O-N 3.07Å; I299-T303 PolarHBondContact O-OG1 3.5Å; I299-Y308 HydrophobicContact CD1-CE2 3.94Å; I299-Y308 HydrophobicContact CG1-CE2 4.06Å
300E84.1Confident87.1Confident109 Ų10956.5 Ų56.551%0.50930%0.298SS..Hα-helixtrans-54.3-33.5-177.7-175.1175.3-172.500113.3L302 G304E300-L302 PolarHBondContact O-N 3.22Å; E300-G304 VanDerWaalsContact O-CA 3.23Å; E300-G304 WeakPolarHBondContact O-CA 3.19Å; E300-G304 PolarHBondContact O-N 2.61Å
301S85.9Confident87.2Confident126 Ų12654.9 Ų54.988%0.88129%0.291SS*.Hα-helixtrans-65.3-24177.153.40000114.2I299I299-S301 PolarHBondContact O-N 3.21Å; I299-S301 VanDerWaalsContact O-N 3.12Å
302L86.3Confident87.3Confident98 Ų9850 Ų5051%0.51327%0.269SS..Hα-helixtrans-102.6-37.1-178.4-174.965.5000112.5Q105 Y108 I299 E300Q105-L302 PolarHBondContact NE2-O 3.14Å; Y108-L302 HydrophobicContact CD1-CD2 3.95Å; Y108-L302 HydrophobicContact CE1-CD2 3.51Å; I299-L302 PolarHBondContact O-N 3.18Å; E300-L302 PolarHBondContact O-N 3.22Å
303T86.4Confident87.3Confident5 Ų549.6 Ų49.63%0.03127%0.271CS..Hα-helixtrans-119.9-1-170.152.70000113.4L101 Q105 Y108 V109 I299 Y305 Y308L101-T303 WeakPolarHBondContact CD2-O 3.21Å; Q105-T303 HydrophobicContact CB-CG2 4.41Å; Y108-T303 HydrophobicContact CD1-CG2 4.4Å; V109-T303 HydrophobicContact CG2-CG2 3.85Å; I299-T303 HydrophobicContact CD1-CG2 4.46Å; I299-T303 PolarHBondContact O-N 3.23Å; I299-T303 VanDerWaalsContact O-N 3.07Å; I299-T303 PolarHBondContact O-OG1 3.5Å; T303-Y305 VanDerWaalsContact O-CD2 3.31Å; T303-Y305 WeakPolarHBondContact O-CD2 3.26Å; T303-Y305 PolarHBondContact O-N 3.44Å; T303-Y305 VanDerWaalsContact O-N 3.13Å; T303-Y308 WeakPolarHBondContact CB-OH 3.47Å; T303-Y308 PolarHBondContact OG1-OH 3.05Å
304G84Confident87.4Confident52 Ų5249.2 Ų49.254%0.53627%0.268SS..SBendtrans73.1-2172.900000116.9E300E300-G304 VanDerWaalsContact O-CA 3.23Å; E300-G304 WeakPolarHBondContact O-CA 3.19Å; E300-G304 PolarHBondContact O-N 2.61Å
305Y86Confident87.5Confident41 Ų4145.6 Ų45.616%0.16125%0.249CC..  trans-129.6147178.5-62.8-95.4000111.3P56 K58 Y99 L101 T303 Y308P56-Y305 HydrophobicContact CB-CD1 3.66Å; P56-Y305 HydrophobicContact CB-CD2 3.69Å; P56-Y305 HydrophobicContact CB-CE1 4.05Å; P56-Y305 HydrophobicContact CB-CE2 4.11Å; P56-Y305 HydrophobicContact CB-CG 3.46Å; P56-Y305 VanDerWaalsContact CB-CG 3.46Å; P56-Y305 HydrophobicContact CG-CD2 4.21Å; P56-Y305 HydrophobicContact CG-CE2 4.21Å; P56-Y305 HydrophobicContact CG-CG 4.41Å; K58-Y305 HydrophobicContact CG-CE1 3.95Å; Y99-Y305 WeakPolarHBondContact CA-OH 3.29Å; Y99-Y305 HydrophobicContact CD1-CE1 4.2Å; Y99-Y305 WeakPolarHBondContact O-CE2 3.42Å; Y99-Y305 PolarHBondContact O-OH 3.47Å; L101-Y305 HydrophobicContact CD1-CD2 4.03Å; L101-Y305 HydrophobicContact CD1-CE2 4.02Å; L101-Y305 HydrophobicContact CD2-CD2 4.39Å; L101-Y305 HydrophobicContact CD2-CE2 4.23Å; L101-Y305 HydrophobicContact CG-CD2 4.42Å; L101-Y305 HydrophobicContact CG-CE2 4.05Å; T303-Y305 VanDerWaalsContact O-CD2 3.31Å; T303-Y305 WeakPolarHBondContact O-CD2 3.26Å; T303-Y305 PolarHBondContact O-N 3.44Å; T303-Y305 VanDerWaalsContact O-N 3.13Å; Y305-Y308 WeakPolarHBondContact O-CE2 3.37Å; Y305-Y308 PolarHBondContact O-OH 2.99Å; Y305-Y308 VanDerWaalsContact O-OH 3.1Å
306R84Confident87.5Confident115 Ų11549.4 Ų49.443%0.43427%0.272SS..SBendtrans-98.9-25.9-178.2-171.6171.7-175.21733.2114.4
307M85.9Confident87.7Confident5 Ų549.2 Ų49.23%0.02527%0.274CS..EExtended strand (participates in β ladder)trans-126133.3-176.4-69-66.1-64.600110.7C57 I60 D63 K296C57-M307 PolarHBondContact N-O 3.34Å; I60-M307 HydrophobicContact CD1-CB 3.75Å; I60-M307 HydrophobicContact CD1-CG 3.65Å; I60-M307 HydrophobicContact CG1-CB 3.96Å; I60-M307 HydrophobicContact CG1-CG 3.93Å; I60-M307 HydrophobicContact CG2-CG 3.97Å; D63-M307 WeakPolarHBondContact O-CE 3.37Å; K296-M307 HydrophobicContact CB-CE 4.22Å; K296-M307 HydrophobicContact CB-SD 3.43Å; K296-M307 WeakPolarHBondContact CB-SD 3.38Å; K296-M307 HydrophobicContact CD-SD 3.81Å; K296-M307 HydrophobicContact CG-SD 3.53Å; K296-M307 VanDerWaalsContact CG-SD 3.53Å
308Y89.5Confident88Confident2 Ų248.8 Ų48.81%0.00827%0.271CS..EExtended strand (participates in β ladder)trans-127.6140177.7-58.8-91.2000109.7L55 P56 V109 C295 V297 I299 T303 Y305L55-Y308 CarbonylContact O-C 3.52Å; L55-Y308 VanDerWaalsContact O-CA 3.29Å; L55-Y308 WeakPolarHBondContact O-CA 3.15Å; P56-Y308 VanDerWaalsContact CA-CD1 3.47Å; P56-Y308 HydrophobicContact CB-CD1 3.83Å; P56-Y308 HydrophobicContact CB-CE1 3.7Å; V109-Y308 HydrophobicContact CB-CE1 4.36Å; V109-Y308 HydrophobicContact CG1-CD1 3.42Å; V109-Y308 VanDerWaalsContact CG1-CD1 3.42Å; V109-Y308 HydrophobicContact CG1-CD2 4.05Å; V109-Y308 HydrophobicContact CG1-CE1 3.63Å; V109-Y308 HydrophobicContact CG1-CE2 4.25Å; V109-Y308 HydrophobicContact CG1-CG 3.63Å; V109-Y308 HydrophobicContact CG2-CD1 4.43Å; V109-Y308 HydrophobicContact CG2-CE1 3.79Å; C295-Y308 PolarHBondContact N-O 3.05Å; C295-Y308 PolarHBondContact O-N 3.5Å; V297-Y308 HydrophobicContact CG2-CD2 4.07Å; V297-Y308 HydrophobicContact CG2-CE2 4.22Å; I299-Y308 HydrophobicContact CD1-CE2 3.94Å; I299-Y308 HydrophobicContact CG1-CE2 4.06Å; T303-Y308 WeakPolarHBondContact CB-OH 3.47Å; T303-Y308 PolarHBondContact OG1-OH 3.05Å; Y305-Y308 WeakPolarHBondContact O-CE2 3.37Å; Y305-Y308 PolarHBondContact O-OH 2.99Å; Y305-Y308 VanDerWaalsContact O-OH 3.1Å
309R89.7Confident88.4Confident84 Ų8446.2 Ų46.232%0.31725%0.253SS..EExtended strand (participates in β ladder)trans-101.5120.6170-170.8165.7-177.6156.3-1.3108.3L55 D67 D292L55-R309 PolarHBondContact N-O 3.12Å; L55-R309 PolarHBondContact O-N 2.94Å; D67-R309 IonicContact OD1-NH1 3.36Å; D292-R309 IonicContact OD2-CZ 3.65Å; D292-R309 IonicContact OD2-NE 3.38Å; D292-R309 IonicContact OD2-NH2 2.69Å; D292-R309 PolarHBondContact OD2-NH2 3.39Å
310C91.2Very high88.6Confident1 Ų150.7 Ų50.71%0.00728%0.277CS..EExtended strand (participates in β ladder)trans-112.8136.5-174.6-58.30000111.1M52 I53 C54 D292 V293M52-C310 HydrophobicContact CE-CB 3.83Å; M52-C310 HydrophobicContact CG-CB 3.98Å; M52-C310 HydrophobicContact SD-CB 4.02Å; I53-C310 CarbonylContact O-C 3.18Å; I53-C310 VanDerWaalsContact O-CA 3.26Å; I53-C310 WeakPolarHBondContact O-CA 3.13Å; C54-C310 HydrophobicContact CB-CB 4.1Å; C54-C310 WeakPolarHBondContact CB-SG 3.29Å; C54-C310 WeakPolarHBondContact SG-CB 3.23Å; C54-C310 CovalentContact SG-SG 2.04Å; C54-C310 PolarHBondContact SG-SG 3.05Å; D292-C310 CarbonylContact C-O 3.59Å; D292-C310 WeakPolarHBondContact CA-O 3.28Å; V293-C310 HydrophobicContact CB-CB 4.5Å; V293-C310 PolarHBondContact N-O 3.49Å; V293-C310 WeakPolarHBondContact O-CB 3.37Å; V293-C310 PolarHBondContact O-N 3.28Å
311A91.2Very high89.1Confident26 Ų2646.4 Ų46.422%0.21526%0.257CS..EExtended strand (participates in β ladder)trans-103.5130.9171.500000109.8M52 I53 F291 P313M52-A311 WeakPolarHBondContact CG-O 3.46Å; I53-A311 PolarHBondContact N-O 3.36Å; I53-A311 PolarHBondContact O-N 2.81Å; F291-A311 HydrophobicContact CE1-CB 4.23Å; F291-A311 HydrophobicContact CZ-CB 4.23Å; F291-A311 CarbonylContact O-C 3.56Å; F291-A311 WeakPolarHBondContact O-CA 3.3Å; A311-P313 WeakPolarHBondContact O-CD 3.48Å
312H90.8Very high89.5Confident0 Ų040.4 Ų40.40%022%0.215CC..  trans-108.394.9172.1-174.5-137.6000109.9D50 L118 F291 L314 A315D50-H312 IonicContact OD1-CD2 3.72Å; D50-H312 PolarHBondContact OD1-CD2 2.91Å; D50-H312 IonicContact OD1-CE1 2.85Å; D50-H312 IonicContact OD1-NE2 3.98Å; D50-H312 PolarHBondContact OD1-NE2 2.96Å; L118-H312 HydrophobicContact CD1-CB 4.5Å; F291-H312 PolarHBondContact O-N 2.69Å; H312-L314 VanDerWaalsContact C-N 3.26Å; H312-L314 PolarHBondContact O-N 2.76Å; H312-A315 HydrophobicContact CB-CB 4.28Å; H312-A315 WeakPolarHBondContact O-CB 3.49Å; H312-A315 PolarHBondContact O-N 2.82Å; H312-A315 VanDerWaalsContact O-N 3.11Å
313P88.4Confident89.8Confident62 Ų6239 Ų3940%0.40321%0.214SC..THydrogen-bonded Turntrans-63-30.8-173.2-23.634.7000113.8K51 A311 A315 T316K51-P313 WeakPolarHBondContact O-CD 3.35Å; A311-P313 WeakPolarHBondContact O-CD 3.48Å; P313-A315 PolarHBondContact O-N 2.82Å; P313-T316 PolarHBondContact O-OG1 3.06Å
314L89.8Confident90.3Very high11 Ų1143.9 Ų43.96%0.05823%0.234CC..Hα-helixtrans-73.7-12.8179.6-68180000113.4Q49 D50 H312 T316 L317 F318Q49-L314 HydrophobicContact CB-CD2 4.48Å; D50-L314 HydrophobicContact CB-CD1 3.8Å; H312-L314 VanDerWaalsContact C-N 3.26Å; H312-L314 PolarHBondContact O-N 2.76Å; L314-T316 VanDerWaalsContact C-N 3.3Å; L314-T316 PolarHBondContact O-N 2.89Å; L314-L317 PolarHBondContact O-N 3.43Å; L314-F318 HydrophobicContact CB-CE1 4.47Å; L314-F318 HydrophobicContact CB-CE2 4.46Å; L314-F318 HydrophobicContact CB-CZ 4.42Å; L314-F318 HydrophobicContact CD1-CZ 4.09Å; L314-F318 WeakPolarHBondContact O-CB 3.43Å; L314-F318 PolarHBondContact O-N 2.77Å
315A89.1Confident90.8Very high2 Ų241.4 Ų41.42%0.01721%0.209CC..Hα-helixtrans-57.5-40.4-177.500000113.2I289 T290 H312 P313 K319I289-A315 HydrophobicContact CG2-CB 3.8Å; I289-A315 VanDerWaalsContact CG2-O 3.28Å; I289-A315 WeakPolarHBondContact CG2-O 3.4Å; T290-A315 WeakPolarHBondContact O-CB 3.45Å; H312-A315 HydrophobicContact CB-CB 4.28Å; H312-A315 WeakPolarHBondContact O-CB 3.49Å; H312-A315 PolarHBondContact O-N 2.82Å; H312-A315 VanDerWaalsContact O-N 3.11Å; P313-A315 PolarHBondContact O-N 2.82Å; A315-K319 WeakPolarHBondContact O-CB 3.33Å; A315-K319 WeakPolarHBondContact O-CG 3.47Å; A315-K319 PolarHBondContact O-N 2.9Å
316T89.6Confident91.3Very high80 Ų8040.4 Ų40.449%0.49121%0.206SC..Hα-helixtrans-66.6-46.4179.251.70000111.3F291 P313 L314 K319 I320F291-T316 HydrophobicContact CD2-CG2 4.33Å; P313-T316 PolarHBondContact O-OG1 3.06Å; L314-T316 VanDerWaalsContact C-N 3.3Å; L314-T316 PolarHBondContact O-N 2.89Å; T316-K319 PolarHBondContact O-N 2.9Å; T316-I320 WeakPolarHBondContact O-CG1 3.45Å; T316-I320 PolarHBondContact O-N 2.96Å; T316-I320 VanDerWaalsContact O-N 3.15Å
317L91.1Very high91.8Very high54 Ų5437.9 Ų37.928%0.28321%0.206SC..Hα-helixtrans-65.9-42.2177.8-17659.8000111.7L45 L314 K319 I320 L321L45-L317 HydrophobicContact CD1-CD2 3.48Å; L45-L317 VanDerWaalsContact CD1-CD2 3.48Å; L314-L317 PolarHBondContact O-N 3.43Å; L317-K319 VanDerWaalsContact C-N 3.34Å; L317-K319 PolarHBondContact O-N 3.02Å; L317-I320 WeakPolarHBondContact O-CB 3.2Å; L317-I320 PolarHBondContact O-N 2.78Å; L317-I320 VanDerWaalsContact O-N 3.15Å; L317-L321 HydrophobicContact CD1-CG 4.49Å; L317-L321 HydrophobicContact CG-CD1 4.28Å; L317-L321 HydrophobicContact CG-CG 4.49Å; L317-L321 WeakPolarHBondContact O-CG 3.39Å; L317-L321 PolarHBondContact O-N 3.21Å
318F92.6Very high92.3Very high0 Ų038.9 Ų38.90%021%0.211CC..Hα-helixtrans-68.4-32.1178.3-76.36.2000112.4Q46 A122 P126 I289 L314 L321 A322Q46-F318 HydrophobicContact CB-CZ 3.98Å; Q46-F318 HydrophobicContact CG-CE2 4.38Å; Q46-F318 HydrophobicContact CG-CZ 4.27Å; A122-F318 WeakPolarHBondContact O-CD2 3.29Å; A122-F318 WeakPolarHBondContact O-CE2 3.32Å; P126-F318 HydrophobicContact CG-CZ 4.28Å; I289-F318 HydrophobicContact CD1-CB 4.44Å; I289-F318 HydrophobicContact CG2-CB 4.43Å; L314-F318 HydrophobicContact CB-CE1 4.47Å; L314-F318 HydrophobicContact CB-CE2 4.46Å; L314-F318 HydrophobicContact CB-CZ 4.42Å; L314-F318 HydrophobicContact CD1-CZ 4.09Å; L314-F318 WeakPolarHBondContact O-CB 3.43Å; L314-F318 PolarHBondContact O-N 2.77Å; F318-L321 HydrophobicContact CD1-CD1 4.11Å; F318-L321 HydrophobicContact CE1-CD1 4.46Å; F318-L321 PolarHBondContact O-N 3.41Å; F318-A322 WeakPolarHBondContact O-CB 3.38Å; F318-A322 PolarHBondContact O-N 2.84Å
319K92.4Very high92.6Very high80 Ų8038.8 Ų38.835%0.34821%0.211SC..Hα-helixtrans-61.4-43.4167.8-87.8179.2154.1159.50112.4I289 A315 T316 L317 S323I289-K319 HydrophobicContact CB-CD 4.46Å; I289-K319 HydrophobicContact CB-CG 3.87Å; I289-K319 HydrophobicContact CG2-CG 3.89Å; I289-K319 WeakPolarHBondContact O-CD 3.23Å; I289-K319 WeakPolarHBondContact O-CE 3.33Å; I289-K319 PolarHBondContact O-NZ 2.96Å; A315-K319 WeakPolarHBondContact O-CB 3.33Å; A315-K319 WeakPolarHBondContact O-CG 3.47Å; A315-K319 PolarHBondContact O-N 2.9Å; T316-K319 PolarHBondContact O-N 2.9Å; L317-K319 VanDerWaalsContact C-N 3.34Å; L317-K319 PolarHBondContact O-N 3.02Å; K319-S323 WeakPolarHBondContact O-CB 3.42Å; K319-S323 PolarHBondContact O-N 2.95Å
320I93.4Very high92.8Very high112 Ų11238.1 Ų38.157%0.57421%0.213SC*.Hα-helixtrans-64.2-48.2176.9-65.3166000110.4T316 L317 A322 S323 F324T316-I320 WeakPolarHBondContact O-CG1 3.45Å; T316-I320 PolarHBondContact O-N 2.96Å; T316-I320 VanDerWaalsContact O-N 3.15Å; L317-I320 WeakPolarHBondContact O-CB 3.2Å; L317-I320 PolarHBondContact O-N 2.78Å; L317-I320 VanDerWaalsContact O-N 3.15Å; I320-A322 PolarHBondContact O-N 2.86Å; I320-S323 PolarHBondContact O-N 2.84Å; I320-F324 WeakPolarHBondContact O-CB 3.15Å; I320-F324 PolarHBondContact O-N 3.06Å
321L93.9Very high93.1Very high18 Ų1841.6 Ų41.69%0.09423%0.234CC..Hα-helixtrans-63.2-40.1178.5-67.9177.6000112.2I38 F41 F125 L317 F318 F324 Y325I38-L321 HydrophobicContact CG2-CB 4.47Å; I38-L321 HydrophobicContact CG2-CD2 4.4Å; F41-L321 HydrophobicContact CD1-CD1 4.02Å; F41-L321 HydrophobicContact CD1-CD2 4.1Å; F41-L321 HydrophobicContact CE1-CD1 4.19Å; F41-L321 HydrophobicContact CE1-CD2 4.23Å; F125-L321 HydrophobicContact CE1-CB 4.12Å; L317-L321 HydrophobicContact CD1-CG 4.49Å; L317-L321 HydrophobicContact CG-CD1 4.28Å; L317-L321 HydrophobicContact CG-CG 4.49Å; L317-L321 WeakPolarHBondContact O-CG 3.39Å; L317-L321 PolarHBondContact O-N 3.21Å; F318-L321 HydrophobicContact CD1-CD1 4.11Å; F318-L321 HydrophobicContact CE1-CD1 4.46Å; F318-L321 PolarHBondContact O-N 3.41Å; L321-F324 PolarHBondContact O-N 3.04Å; L321-Y325 VanDerWaalsContact O-CB 3.24Å; L321-Y325 WeakPolarHBondContact O-CB 3.38Å; L321-Y325 PolarHBondContact O-N 2.89Å
322A93.8Very high93.3Very high1 Ų140.3 Ų40.31%0.00822%0.224CC..Hα-helixtrans-67.7-41.117700000112.1F125 V286 F318 I320 Y325 I326F125-A322 HydrophobicContact CD2-CB 4.38Å; F125-A322 HydrophobicContact CE1-CB 4.42Å; F125-A322 HydrophobicContact CE2-CB 3.76Å; F125-A322 VanDerWaalsContact CZ-CA 3.47Å; F125-A322 HydrophobicContact CZ-CB 3.79Å; V286-A322 HydrophobicContact CG2-CB 3.93Å; F318-A322 WeakPolarHBondContact O-CB 3.38Å; F318-A322 PolarHBondContact O-N 2.84Å; I320-A322 PolarHBondContact O-N 2.86Å; A322-Y325 PolarHBondContact O-N 3.16Å; A322-I326 WeakPolarHBondContact O-CB 3.39Å; A322-I326 WeakPolarHBondContact O-CD1 3.43Å; A322-I326 VanDerWaalsContact O-CG1 3.25Å; A322-I326 WeakPolarHBondContact O-CG1 3.14Å; A322-I326 PolarHBondContact O-N 3.08Å
323S93.4Very high93.4Very high69 Ų6940.3 Ų40.348%0.48322%0.224SC..Hα-helixtrans-60.5-48.8173.5-175.20000111.4K319 I320 Y325 I326 S327K319-S323 WeakPolarHBondContact O-CB 3.42Å; K319-S323 PolarHBondContact O-N 2.95Å; I320-S323 PolarHBondContact O-N 2.84Å; S323-Y325 PolarHBondContact O-N 3.43Å; S323-I326 PolarHBondContact O-N 2.95Å; S323-S327 PolarHBondContact O-N 3.3Å; S323-S327 PolarHBondContact O-OG 2.75Å
324F95.6Very high93.8Very high106 Ų10642.8 Ų42.847%0.46523%0.233SC..Hα-helixtrans-62.2-41.3177.3-175.8-121.1000112.4V34 I38 I320 L321 S327 L328V34-F324 HydrophobicContact CG1-CE1 4.25Å; V34-F324 HydrophobicContact CG1-CZ 4.45Å; I38-F324 HydrophobicContact CD1-CD1 3.38Å; I38-F324 HydrophobicContact CD1-CE1 3.55Å; I38-F324 HydrophobicContact CG1-CD1 4.07Å; I38-F324 HydrophobicContact CG1-CE1 4.16Å; I320-F324 WeakPolarHBondContact O-CB 3.15Å; I320-F324 PolarHBondContact O-N 3.06Å; L321-F324 PolarHBondContact O-N 3.04Å; F324-S327 PolarHBondContact O-N 3.49Å; F324-L328 HydrophobicContact CD1-CD1 3.99Å; F324-L328 HydrophobicContact CE1-CD1 3.65Å; F324-L328 HydrophobicContact CE1-CG 4.47Å; F324-L328 HydrophobicContact CE2-CD1 4.47Å; F324-L328 HydrophobicContact CE2-CG 4.48Å; F324-L328 HydrophobicContact CZ-CD1 3.9Å; F324-L328 HydrophobicContact CZ-CD2 4.49Å; F324-L328 HydrophobicContact CZ-CG 4.31Å; F324-L328 WeakPolarHBondContact O-CG 3.36Å; F324-L328 PolarHBondContact O-N 3.24Å
325Y95.9Very high94Very high1 Ų143.2 Ų43.20%0.00424%0.235CC..Hα-helixtrans-60.7-45.2174.4175.5-106.6000112.3M35 F125 V129 H132 I278 T282 L321 A322 S323 S327 L328 V329M35-Y325 HydrophobicContact CB-CE2 4.4Å; M35-Y325 HydrophobicContact CE-CD2 4.41Å; M35-Y325 HydrophobicContact CE-CE2 3.43Å; M35-Y325 VanDerWaalsContact CE-CE2 3.43Å; M35-Y325 HydrophobicContact CG-CD2 4.4Å; M35-Y325 HydrophobicContact CG-CE2 4.21Å; F125-Y325 HydrophobicContact CE2-CD1 4.2Å; F125-Y325 HydrophobicContact CZ-CG 4.43Å; V129-Y325 HydrophobicContact CB-CE2 4.22Å; V129-Y325 HydrophobicContact CG1-CD2 3.69Å; V129-Y325 HydrophobicContact CG1-CE2 3.48Å; V129-Y325 VanDerWaalsContact CG1-CE2 3.48Å; V129-Y325 HydrophobicContact CG1-CG 4.49Å; V129-Y325 HydrophobicContact CG2-CD1 4.04Å; V129-Y325 HydrophobicContact CG2-CD2 4.01Å; V129-Y325 HydrophobicContact CG2-CE1 4Å; V129-Y325 HydrophobicContact CG2-CE2 3.98Å; V129-Y325 HydrophobicContact CG2-CG 4.03Å; H132-Y325 WeakPolarHBondContact CB-OH 3.33Å; H132-Y325 AromaticContact ND1-CZ 3.96Å; H132-Y325 PolarHBondContact ND1-OH 3.26Å; I278-Y325 HydrophobicContact CG2-CE1 3.97Å; T282-Y325 HydrophobicContact CG2-CE1 4.35Å; L321-Y325 VanDerWaalsContact O-CB 3.24Å; L321-Y325 WeakPolarHBondContact O-CB 3.38Å; L321-Y325 PolarHBondContact O-N 2.89Å; A322-Y325 PolarHBondContact O-N 3.16Å; S323-Y325 PolarHBondContact O-N 3.43Å; Y325-S327 VanDerWaalsContact C-N 3.35Å; Y325-S327 PolarHBondContact O-N 3.31Å; Y325-L328 PolarHBondContact O-N 2.86Å; Y325-V329 HydrophobicContact CD1-CG2 4.2Å; Y325-V329 HydrophobicContact CD2-CG2 4.14Å; Y325-V329 HydrophobicContact CE1-CG2 3.73Å; Y325-V329 HydrophobicContact CE2-CG2 3.65Å; Y325-V329 HydrophobicContact CG-CG2 4.4Å; Y325-V329 VanDerWaalsContact CZ-CG2 3.43Å; Y325-V329 WeakPolarHBondContact O-CG2 3.28Å; Y325-V329 PolarHBondContact O-N 2.96Å
326I95.2Very high94.3Very high20 Ų2043.2 Ų43.210%0.10324%0.235CC..Hα-helixtrans-60.4-45.5177.1-73.2164.8000110.5I279 V283 V286 A322 S323 L328 V329 I330I279-I326 HydrophobicContact CD1-CG2 4.11Å; V283-I326 HydrophobicContact CG2-CD1 4.05Å; V283-I326 HydrophobicContact CG2-CG2 4.06Å; V286-I326 HydrophobicContact CG2-CD1 3.52Å; A322-I326 WeakPolarHBondContact O-CB 3.39Å; A322-I326 WeakPolarHBondContact O-CD1 3.43Å; A322-I326 VanDerWaalsContact O-CG1 3.25Å; A322-I326 WeakPolarHBondContact O-CG1 3.14Å; A322-I326 PolarHBondContact O-N 3.08Å; S323-I326 PolarHBondContact O-N 2.95Å; I326-L328 VanDerWaalsContact C-N 3.32Å; I326-L328 PolarHBondContact O-N 3.43Å; I326-V329 PolarHBondContact O-N 3.14Å; I326-I330 HydrophobicContact CG2-CD1 3.9Å; I326-I330 HydrophobicContact CG2-CG1 4.46Å; I326-I330 VanDerWaalsContact O-CG1 3.3Å; I326-I330 WeakPolarHBondContact O-CG1 3.43Å; I326-I330 PolarHBondContact O-N 3.22Å
327S95.4Very high94.5Very high62 Ų6243.7 Ų43.743%0.43423%0.233SC..Hα-helixtrans-57.8-43.7175.4-58.60000112.2S323 F324 Y325 I330 V331S323-S327 PolarHBondContact O-N 3.3Å; S323-S327 PolarHBondContact O-OG 2.75Å; F324-S327 PolarHBondContact O-N 3.49Å; Y325-S327 VanDerWaalsContact C-N 3.35Å; Y325-S327 PolarHBondContact O-N 3.31Å; S327-I330 PolarHBondContact O-N 3.25Å; S327-V331 WeakPolarHBondContact O-CG2 3.22Å; S327-V331 PolarHBondContact O-N 3.39Å; S327-V331 VanDerWaalsContact O-N 3.12Å
328L95.3Very high94.7Very high25 Ų2545.1 Ų45.113%0.13124%0.235CC..Hα-helixtrans-64.3-42.3176.7-73.8168.8000112.8I31 V34 M35 I38 F324 Y325 I326 I330 V331 Y332I31-L328 HydrophobicContact CG2-CD2 4.5Å; V34-L328 HydrophobicContact CB-CD1 4.49Å; V34-L328 HydrophobicContact CG1-CD1 3.67Å; V34-L328 HydrophobicContact CG1-CD2 4.34Å; M35-L328 HydrophobicContact CG-CB 4.37Å; M35-L328 HydrophobicContact CG-CD1 4.48Å; I38-L328 HydrophobicContact CD1-CD1 3.35Å; F324-L328 HydrophobicContact CD1-CD1 3.99Å; F324-L328 HydrophobicContact CE1-CD1 3.65Å; F324-L328 HydrophobicContact CE1-CG 4.47Å; F324-L328 HydrophobicContact CE2-CD1 4.47Å; F324-L328 HydrophobicContact CE2-CG 4.48Å; F324-L328 HydrophobicContact CZ-CD1 3.9Å; F324-L328 HydrophobicContact CZ-CD2 4.49Å; F324-L328 HydrophobicContact CZ-CG 4.31Å; F324-L328 WeakPolarHBondContact O-CG 3.36Å; F324-L328 PolarHBondContact O-N 3.24Å; Y325-L328 PolarHBondContact O-N 2.86Å; I326-L328 VanDerWaalsContact C-N 3.32Å; I326-L328 PolarHBondContact O-N 3.43Å; L328-I330 VanDerWaalsContact C-N 3.32Å; L328-I330 PolarHBondContact O-N 2.6Å; L328-V331 PolarHBondContact O-N 3.36Å; L328-Y332 WeakPolarHBondContact O-CB 3.46Å; L328-Y332 PolarHBondContact O-N 3.44Å
329V96Very high94.7Very high0 Ų045.3 Ų45.30%024%0.236CC..Hα-helixtrans-65.8-35.8177.6174.80000111.1M35 F275 I278 I279 Y325 I326 Y332 G333M35-V329 HydrophobicContact CE-CG2 3.68Å; F275-V329 HydrophobicContact CD2-CG1 3.71Å; F275-V329 VanDerWaalsContact CD2-O 3.24Å; F275-V329 WeakPolarHBondContact CD2-O 3.27Å; F275-V329 HydrophobicContact CE2-CG1 4.2Å; F275-V329 VanDerWaalsContact CE2-O 3.26Å; F275-V329 WeakPolarHBondContact CE2-O 3.39Å; I278-V329 HydrophobicContact CB-CG1 4.44Å; I278-V329 HydrophobicContact CG2-CG1 4.04Å; I278-V329 HydrophobicContact CG2-CG2 4.34Å; I279-V329 HydrophobicContact CD1-CB 3.89Å; I279-V329 HydrophobicContact CD1-CG1 3.57Å; I279-V329 HydrophobicContact CG1-CG1 3.83Å; Y325-V329 HydrophobicContact CD1-CG2 4.2Å; Y325-V329 HydrophobicContact CD2-CG2 4.14Å; Y325-V329 HydrophobicContact CE1-CG2 3.73Å; Y325-V329 HydrophobicContact CE2-CG2 3.65Å; Y325-V329 HydrophobicContact CG-CG2 4.4Å; Y325-V329 VanDerWaalsContact CZ-CG2 3.43Å; Y325-V329 WeakPolarHBondContact O-CG2 3.28Å; Y325-V329 PolarHBondContact O-N 2.96Å; I326-V329 PolarHBondContact O-N 3.14Å; V329-Y332 PolarHBondContact O-N 2.98Å; V329-G333 PolarHBondContact O-N 2.99Å
330I95.5Very high94.8Very high71 Ų7142.7 Ų42.736%0.36423%0.226SC..Hα-helixtrans-60.8-49.9172.6-68.9167.7000110.5I279 I326 S327 L328 Y332 G333 L334I279-I330 HydrophobicContact CD1-CD1 4.49Å; I279-I330 HydrophobicContact CD1-CG1 3.7Å; I279-I330 HydrophobicContact CG1-CG1 4.44Å; I326-I330 HydrophobicContact CG2-CD1 3.9Å; I326-I330 HydrophobicContact CG2-CG1 4.46Å; I326-I330 VanDerWaalsContact O-CG1 3.3Å; I326-I330 WeakPolarHBondContact O-CG1 3.43Å; I326-I330 PolarHBondContact O-N 3.22Å; S327-I330 PolarHBondContact O-N 3.25Å; L328-I330 VanDerWaalsContact C-N 3.32Å; L328-I330 PolarHBondContact O-N 2.6Å; I330-Y332 VanDerWaalsContact C-N 3.34Å; I330-Y332 PolarHBondContact O-N 3.02Å; I330-G333 PolarHBondContact O-N 3.12Å; I330-L334 HydrophobicContact CG2-CD1 4.12Å; I330-L334 HydrophobicContact CG2-CG 4.41Å; I330-L334 WeakPolarHBondContact O-CG 3.33Å; I330-L334 PolarHBondContact O-N 3.19Å
331V95.9Very high94.9Very high73 Ų7343.5 Ų43.544%0.44222%0.222SC..Hα-helixtrans-60.3-44.8177.7176.60000110.9I31 S327 L328 G333 L334 I335I31-V331 HydrophobicContact CD1-CG1 3.92Å; S327-V331 WeakPolarHBondContact O-CG2 3.22Å; S327-V331 PolarHBondContact O-N 3.39Å; S327-V331 VanDerWaalsContact O-N 3.12Å; L328-V331 PolarHBondContact O-N 3.36Å; V331-G333 VanDerWaalsContact C-N 3.33Å; V331-G333 PolarHBondContact O-N 2.91Å; V331-L334 PolarHBondContact O-N 2.95Å; V331-I335 HydrophobicContact CG1-CD1 4.19Å; V331-I335 WeakPolarHBondContact O-CG1 3.32Å; V331-I335 PolarHBondContact O-N 2.87Å; V331-I335 VanDerWaalsContact O-N 3.16Å
332Y95.4Very high94.9Very high0 Ų043.2 Ų43.20%022%0.219CC..Hα-helixtrans-57.5-45.2175-174.5-85.6000112.1T28 I31 F136 L328 V329 I330 I335 C336T28-Y332 HydrophobicContact CG2-CD2 4.11Å; T28-Y332 HydrophobicContact CG2-CE2 3.79Å; I31-Y332 HydrophobicContact CB-CD2 4.3Å; I31-Y332 HydrophobicContact CG2-CD2 4.03Å; F136-Y332 AromaticContact CD1-CE1 3.68Å; F136-Y332 HydrophobicContact CD1-CE1 3.68Å; F136-Y332 AromaticContact CD1-CZ 3.87Å; F136-Y332 HydrophobicContact CD2-CE1 4.37Å; F136-Y332 HydrophobicContact CE1-CD1 4.38Å; F136-Y332 AromaticContact CE1-CE1 3.71Å; F136-Y332 HydrophobicContact CE1-CE1 3.71Å; F136-Y332 HydrophobicContact CE2-CE1 4.39Å; F136-Y332 HydrophobicContact CG-CE1 4.03Å; F136-Y332 AromaticContact CG-CZ 3.91Å; F136-Y332 HydrophobicContact CZ-CD1 4.3Å; F136-Y332 HydrophobicContact CZ-CE1 4.07Å; L328-Y332 WeakPolarHBondContact O-CB 3.46Å; L328-Y332 PolarHBondContact O-N 3.44Å; V329-Y332 PolarHBondContact O-N 2.98Å; I330-Y332 VanDerWaalsContact C-N 3.34Å; I330-Y332 PolarHBondContact O-N 3.02Å; Y332-I335 PolarHBondContact O-N 3.23Å; Y332-C336 WeakPolarHBondContact CE1-SG 3.48Å; Y332-C336 PolarHBondContact O-N 3.5Å; Y332-C336 PolarHBondContact O-SG 3.24Å
333G94.5Very high94.7Very high0 Ų043.3 Ų43.30%022%0.22CC..Hα-helixtrans-64.9-42.2179.300000113.3F275 V329 I330 V331 I335 C336 M337F275-G333 VanDerWaalsContact CD2-CA 3.42Å; F275-G333 VanDerWaalsContact CG-CA 3.49Å; V329-G333 PolarHBondContact O-N 2.99Å; I330-G333 PolarHBondContact O-N 3.12Å; V331-G333 VanDerWaalsContact C-N 3.33Å; V331-G333 PolarHBondContact O-N 2.91Å; G333-I335 VanDerWaalsContact C-N 3.32Å; G333-I335 PolarHBondContact O-N 2.99Å; G333-C336 PolarHBondContact O-N 2.94Å; G333-M337 WeakPolarHBondContact O-CB 3.48Å; G333-M337 VanDerWaalsContact O-CG 3.27Å; G333-M337 WeakPolarHBondContact O-CG 3.39Å; G333-M337 PolarHBondContact O-N 3.39Å
334L95.4Very high94.6Very high113 Ų11345.6 Ų45.659%0.59223%0.226SC*.Hα-helixtrans-61.2-41.4176.2-70.4174.5000111.6I330 V331 M337 Y338I330-L334 HydrophobicContact CG2-CD1 4.12Å; I330-L334 HydrophobicContact CG2-CG 4.41Å; I330-L334 WeakPolarHBondContact O-CG 3.33Å; I330-L334 PolarHBondContact O-N 3.19Å; V331-L334 PolarHBondContact O-N 2.95Å; L334-M337 PolarHBondContact O-N 3.14Å; L334-Y338 PolarHBondContact O-N 2.49Å
335I95.3Very high94.4Very high20 Ų2049.1 Ų49.110%0.10324%0.236CC..Hα-helixtrans-63.1-48.8174-63.4165.8000109.8W24 F27 T28 I31 V331 Y332 G333 M337 Y338 T339W24-I335 HydrophobicContact CB-CG2 3.62Å; F27-I335 HydrophobicContact CB-CD1 3.94Å; T28-I335 HydrophobicContact CG2-CG2 3.98Å; I31-I335 HydrophobicContact CD1-CD1 3.68Å; V331-I335 HydrophobicContact CG1-CD1 4.19Å; V331-I335 WeakPolarHBondContact O-CG1 3.32Å; V331-I335 PolarHBondContact O-N 2.87Å; V331-I335 VanDerWaalsContact O-N 3.16Å; Y332-I335 PolarHBondContact O-N 3.23Å; G333-I335 VanDerWaalsContact C-N 3.32Å; G333-I335 PolarHBondContact O-N 2.99Å; I335-M337 VanDerWaalsContact C-N 3.31Å; I335-M337 PolarHBondContact O-N 2.92Å; I335-Y338 WeakPolarHBondContact O-CB 3.48Å; I335-Y338 PolarHBondContact O-N 2.97Å; I335-T339 HydrophobicContact CG2-CG2 4.48Å; I335-T339 VanDerWaalsContact O-CG2 3.26Å; I335-T339 WeakPolarHBondContact O-CG2 3.45Å; I335-T339 PolarHBondContact O-N 3.45Å
336C94.8Very high93.9Very high3 Ų356.1 Ų56.12%0.0226%0.262CS..Hα-helixtrans-60.6-39.5178.2-67.50000112.6V272 Y332 G333 T339 L340V272-C336 HydrophobicContact CG2-CB 3.8Å; Y332-C336 WeakPolarHBondContact CE1-SG 3.48Å; Y332-C336 PolarHBondContact O-N 3.5Å; Y332-C336 PolarHBondContact O-SG 3.24Å; G333-C336 PolarHBondContact O-N 2.94Å; C336-T339 WeakPolarHBondContact CA-OG1 3.47Å; C336-T339 PolarHBondContact O-N 3.06Å; C336-T339 PolarHBondContact O-OG1 3.39Å; C336-L340 PolarHBondContact O-N 3.45Å
337M93.8Very high93.4Very high89 Ų8959.4 Ų59.444%0.43829%0.287SS..Hα-helixtrans-64.5-41.7175.7-74.9-64.2-69.200112.2V272 G333 L334 I335 T339 L340 W341V272-M337 HydrophobicContact CB-SD 4.34Å; V272-M337 HydrophobicContact CG1-SD 3.38Å; V272-M337 WeakPolarHBondContact CG1-SD 3.35Å; V272-M337 HydrophobicContact CG2-CG 4.48Å; V272-M337 HydrophobicContact CG2-SD 3.96Å; G333-M337 WeakPolarHBondContact O-CB 3.48Å; G333-M337 VanDerWaalsContact O-CG 3.27Å; G333-M337 WeakPolarHBondContact O-CG 3.39Å; G333-M337 PolarHBondContact O-N 3.39Å; L334-M337 PolarHBondContact O-N 3.14Å; I335-M337 VanDerWaalsContact C-N 3.31Å; I335-M337 PolarHBondContact O-N 2.92Å; M337-T339 VanDerWaalsContact C-N 3.33Å; M337-T339 PolarHBondContact O-N 3.19Å; M337-L340 PolarHBondContact O-N 3.14Å; M337-W341 VanDerWaalsContact O-CB 3.3Å; M337-W341 WeakPolarHBondContact O-CB 3.5Å; M337-W341 PolarHBondContact O-N 3.48Å
338Y94.9Very high93.1Very high84 Ų8456.5 Ų56.533%0.32927%0.267SS..Hα-helixtrans-58.6-45.3172.5167.4-94.2000111.4W23 L334 I335 W341 W342W23-Y338 AromaticContact CH2-CD1 3.9Å; W23-Y338 HydrophobicContact CH2-CD1 3.9Å; W23-Y338 AromaticContact CH2-CE1 3.81Å; W23-Y338 HydrophobicContact CH2-CE1 3.81Å; W23-Y338 AromaticContact CZ2-CD1 3.88Å; W23-Y338 HydrophobicContact CZ2-CD1 3.88Å; W23-Y338 AromaticContact CZ2-CE1 3.29Å; W23-Y338 HydrophobicContact CZ2-CE1 3.29Å; W23-Y338 AromaticContact CZ2-CZ 3.71Å; L334-Y338 PolarHBondContact O-N 2.49Å; I335-Y338 WeakPolarHBondContact O-CB 3.48Å; I335-Y338 PolarHBondContact O-N 2.97Å; Y338-W341 HydrophobicContact CD2-CE3 4.34Å; Y338-W341 HydrophobicContact CE2-CE3 4.41Å; Y338-W341 HydrophobicContact CE2-CZ3 4.24Å; Y338-W341 PolarHBondContact O-N 3.17Å; Y338-W342 WeakPolarHBondContact O-CB 3.03Å; Y338-W342 PolarHBondContact O-N 3.15Å
339T93.1Very high92.7Very high4 Ų458.6 Ų58.63%0.02528%0.275CS..Hα-helixtrans-65.2-42.7-179.464.40000111.8W24 T268 I335 C336 M337 W341 W342 M343W24-T339 HydrophobicContact CB-CG2 3.76Å; W24-T339 HydrophobicContact CD2-CG2 3.26Å; W24-T339 HydrophobicContact CE3-CG2 3.14Å; W24-T339 HydrophobicContact CG-CG2 3.54Å; W24-T339 HydrophobicContact CH2-CG2 4.16Å; W24-T339 HydrophobicContact CZ2-CG2 4.37Å; W24-T339 HydrophobicContact CZ3-CG2 3.54Å; T268-T339 VanDerWaalsContact CG2-OG1 3.26Å; T268-T339 WeakPolarHBondContact CG2-OG1 3.48Å; I335-T339 HydrophobicContact CG2-CG2 4.48Å; I335-T339 VanDerWaalsContact O-CG2 3.26Å; I335-T339 WeakPolarHBondContact O-CG2 3.45Å; I335-T339 PolarHBondContact O-N 3.45Å; C336-T339 WeakPolarHBondContact CA-OG1 3.47Å; C336-T339 PolarHBondContact O-N 3.06Å; C336-T339 PolarHBondContact O-OG1 3.39Å; M337-T339 VanDerWaalsContact C-N 3.33Å; M337-T339 PolarHBondContact O-N 3.19Å; T339-W341 VanDerWaalsContact C-N 3.34Å; T339-W341 PolarHBondContact O-N 3.17Å; T339-W342 PolarHBondContact O-N 3.37Å; T339-M343 VanDerWaalsContact O-CG 3.31Å; T339-M343 WeakPolarHBondContact O-CG 3.45Å; T339-M343 PolarHBondContact O-N 3.46Å
340L94.1Very high92.3Very high25 Ų2565.3 Ų65.313%0.13130%0.304CS..Hα-helixtrans-62.4-43.7175.5-175.559.1000111.1M265 T268 I269 V272 C336 M337 M343 L344M265-L340 HydrophobicContact CE-CD1 3.58Å; M265-L340 HydrophobicContact SD-CD1 4.11Å; T268-L340 HydrophobicContact CG2-CB 3.86Å; T268-L340 HydrophobicContact CG2-CD1 4.3Å; I269-L340 HydrophobicContact CG1-CD1 3.79Å; V272-L340 HydrophobicContact CB-CD2 4.5Å; V272-L340 HydrophobicContact CG1-CD2 4.49Å; V272-L340 HydrophobicContact CG2-CB 4.5Å; V272-L340 HydrophobicContact CG2-CD2 4.12Å; C336-L340 PolarHBondContact O-N 3.45Å; M337-L340 PolarHBondContact O-N 3.14Å; L340-M343 PolarHBondContact O-N 3.13Å; L340-L344 HydrophobicContact CD1-CD1 4.21Å; L340-L344 HydrophobicContact CD1-CG 4.44Å; L340-L344 HydrophobicContact CG-CD1 4.03Å; L340-L344 WeakPolarHBondContact O-CB 3.35Å; L340-L344 VanDerWaalsContact O-CG 3.28Å; L340-L344 WeakPolarHBondContact O-CG 3.28Å; L340-L344 PolarHBondContact O-N 2.69Å
341W95.1Very high92Very high129 Ų12962.6 Ų62.649%0.48929%0.289SS..Hα-helixtrans-62.4-44176.5173.785.6000112.3M337 Y338 T339 M343 L344 R345M337-W341 VanDerWaalsContact O-CB 3.3Å; M337-W341 WeakPolarHBondContact O-CB 3.5Å; M337-W341 PolarHBondContact O-N 3.48Å; Y338-W341 HydrophobicContact CD2-CE3 4.34Å; Y338-W341 HydrophobicContact CE2-CE3 4.41Å; Y338-W341 HydrophobicContact CE2-CZ3 4.24Å; Y338-W341 PolarHBondContact O-N 3.17Å; T339-W341 VanDerWaalsContact C-N 3.34Å; T339-W341 PolarHBondContact O-N 3.17Å; W341-M343 VanDerWaalsContact C-N 3.34Å; W341-M343 PolarHBondContact O-N 2.98Å; W341-L344 PolarHBondContact O-N 3.38Å; W341-R345 VanDerWaalsContact O-CB 3.27Å; W341-R345 WeakPolarHBondContact O-CB 3.46Å; W341-R345 PolarHBondContact O-N 3.29Å
342W93.6Very high91.4Very high13 Ų1362 Ų625%0.04929%0.288CS..Hα-helixtrans-58.9-46176.1174.283.4000111.4W24 Y338 T339 L344 R345 R346 L348 L378 Q381W24-W342 HydrophobicContact CZ2-CZ3 4.33Å; Y338-W342 WeakPolarHBondContact O-CB 3.03Å; Y338-W342 PolarHBondContact O-N 3.15Å; T339-W342 PolarHBondContact O-N 3.37Å; W342-L344 VanDerWaalsContact C-N 3.32Å; W342-L344 PolarHBondContact O-N 3.1Å; W342-R345 PolarHBondContact O-N 3.38Å; W342-R346 PolarHBondContact O-N 3.23Å; W342-L348 HydrophobicContact CE3-CD1 3.88Å; W342-L348 HydrophobicContact CH2-CD1 3.65Å; W342-L348 HydrophobicContact CH2-CD2 3.78Å; W342-L348 HydrophobicContact CH2-CG 4.38Å; W342-L348 HydrophobicContact CZ2-CD1 4.38Å; W342-L348 HydrophobicContact CZ2-CD2 3.79Å; W342-L348 HydrophobicContact CZ3-CD1 3.37Å; W342-L348 HydrophobicContact CZ3-CD2 4.29Å; W342-L348 HydrophobicContact CZ3-CG 4.48Å; W342-L378 HydrophobicContact CH2-CD2 4.31Å; W342-L378 HydrophobicContact CZ3-CD2 4.42Å; W342-Q381 HydrophobicContact CZ2-CG 3.92Å
343M91.2Very high90.9Very high2 Ų262 Ų621%0.0129%0.288CS..Hα-helixtrans-66.1-29178.2-68.3-17474.400114.2Y261 Y264 M265 T339 L340 W341 L348 F374Y261-M343 HydrophobicContact CD2-CE 4.29Å; Y261-M343 HydrophobicContact CE2-CE 3.96Å; Y264-M343 HydrophobicContact CD1-CE 3.77Å; Y264-M343 HydrophobicContact CD1-SD 3.63Å; Y264-M343 HydrophobicContact CE1-SD 4.03Å; M265-M343 HydrophobicContact CB-CE 3.95Å; M265-M343 HydrophobicContact CG-CE 4.5Å; M265-M343 HydrophobicContact SD-CB 4.06Å; M265-M343 HydrophobicContact SD-CE 3.75Å; M265-M343 HydrophobicContact SD-SD 4.06Å; T339-M343 VanDerWaalsContact O-CG 3.31Å; T339-M343 WeakPolarHBondContact O-CG 3.45Å; T339-M343 PolarHBondContact O-N 3.46Å; L340-M343 PolarHBondContact O-N 3.13Å; W341-M343 VanDerWaalsContact C-N 3.34Å; W341-M343 PolarHBondContact O-N 2.98Å; M343-L348 HydrophobicContact CB-CD1 4.06Å; M343-L348 HydrophobicContact CE-CD1 4.44Å; M343-L348 HydrophobicContact CG-CD1 3.78Å; M343-F374 HydrophobicContact CE-CE2 4.07Å; M343-F374 HydrophobicContact CE-CZ 4.33Å
344L91.4Very high90.3Very high117 Ų11767.6 Ų67.661%0.61331%0.314SS*.Hα-helixtrans-85.2-33.7178.2-71.9172.6000112.7M265 L340 W341 W342M265-L344 HydrophobicContact CE-CD2 3.41Å; M265-L344 VanDerWaalsContact CE-CD2 3.41Å; M265-L344 HydrophobicContact CE-CG 3.86Å; L340-L344 HydrophobicContact CD1-CD1 4.21Å; L340-L344 HydrophobicContact CD1-CG 4.44Å; L340-L344 HydrophobicContact CG-CD1 4.03Å; L340-L344 WeakPolarHBondContact O-CB 3.35Å; L340-L344 VanDerWaalsContact O-CG 3.28Å; L340-L344 WeakPolarHBondContact O-CG 3.28Å; L340-L344 PolarHBondContact O-N 2.69Å; W341-L344 PolarHBondContact O-N 3.38Å; W342-L344 VanDerWaalsContact C-N 3.32Å; W342-L344 PolarHBondContact O-N 3.1Å
345R90.6Very high89.5Confident181 Ų18165.7 Ų65.768%0.68331%0.31SS*.Hα-helixtrans-76.7-34.9-176.1-172171.6-174.8-169.32.9112.7W341 W342W341-R345 VanDerWaalsContact O-CB 3.27Å; W341-R345 WeakPolarHBondContact O-CB 3.46Å; W341-R345 PolarHBondContact O-N 3.29Å; W342-R345 PolarHBondContact O-N 3.38Å
346R84.6Confident88.8Confident147 Ų14765.2 Ų65.256%0.55531%0.308SS*.SBendtrans-106.3138.4178.4-70.3-173.1174.7-167-0.5110.7W342 L348W342-R346 PolarHBondContact O-N 3.23Å; R346-L348 HydrophobicContact CB-CD2 3.98Å; R346-L348 PolarHBondContact O-N 3.03Å
347S86.2Confident88.2Confident89 Ų8968.9 Ų68.962%0.62232%0.322SS*.  trans-75.686.6174.261.40000110.9K349 K350S347-K349 PolarHBondContact O-N 3.03Å; S347-K349 VanDerWaalsContact O-N 3.16Å; S347-K350 PolarHBondContact O-N 3.33Å; S347-K350 VanDerWaalsContact O-O 3.13Å
348L88.6Confident87.5Confident1 Ų171.9 Ų71.91%0.00534%0.335CS..THydrogen-bonded Turntrans-73.2-5.1-175.6-54.5179000114.8Y261 W342 M343 R346 K350 F374 H377Y261-L348 HydrophobicContact CD2-CB 4.49Å; Y261-L348 HydrophobicContact CE2-CB 4.14Å; W342-L348 HydrophobicContact CE3-CD1 3.88Å; W342-L348 HydrophobicContact CH2-CD1 3.65Å; W342-L348 HydrophobicContact CH2-CD2 3.78Å; W342-L348 HydrophobicContact CH2-CG 4.38Å; W342-L348 HydrophobicContact CZ2-CD1 4.38Å; W342-L348 HydrophobicContact CZ2-CD2 3.79Å; W342-L348 HydrophobicContact CZ3-CD1 3.37Å; W342-L348 HydrophobicContact CZ3-CD2 4.29Å; W342-L348 HydrophobicContact CZ3-CG 4.48Å; M343-L348 HydrophobicContact CB-CD1 4.06Å; M343-L348 HydrophobicContact CE-CD1 4.44Å; M343-L348 HydrophobicContact CG-CD1 3.78Å; R346-L348 HydrophobicContact CB-CD2 3.98Å; R346-L348 PolarHBondContact O-N 3.03Å; L348-K350 VanDerWaalsContact C-N 3.3Å; L348-F374 HydrophobicContact CB-CD2 3.95Å; L348-F374 HydrophobicContact CD1-CD2 4.06Å; L348-F374 HydrophobicContact CD1-CE2 3.92Å; L348-F374 WeakPolarHBondContact O-CA 3.28Å; L348-F374 PolarHBondContact O-N 3.11Å; L348-H377 HydrophobicContact CD2-CB 4.24Å
349K86.2Confident86.5Confident70 Ų7073.1 Ų73.130%0.30434%0.343SS..THydrogen-bonded Turntrans-81.9-6.5174.2-69.1-169.9170.9-164.70113.7D258 Y261 S347 K369 N370D258-K349 IonicContact OD2-NZ 2.75Å; D258-K349 PolarHBondContact OD2-NZ 3Å; Y261-K349 HydrophobicContact CD1-CD 4.38Å; Y261-K349 HydrophobicContact CD1-CG 4.22Å; Y261-K349 HydrophobicContact CE1-CD 4.31Å; Y261-K349 HydrophobicContact CE1-CG 4.24Å; Y261-K349 HydrophobicContact CG-CG 4.38Å; S347-K349 PolarHBondContact O-N 3.03Å; S347-K349 VanDerWaalsContact O-N 3.16Å; K349-K369 CarbonylContact O-C 3.51Å; K349-K369 VanDerWaalsContact O-CA 3.26Å; K349-K369 WeakPolarHBondContact O-CA 3.3Å; K349-N370 PolarHBondContact O-N 3.31Å
350K88.4Confident85.4Confident140 Ų14073.7 Ų73.761%0.60935%0.348SS*.EExtended strand (participates in β ladder)trans-127.1129.4175.3-65.1-177.3-178.9179.40107.7S347 L348 H377S347-K350 PolarHBondContact O-N 3.33Å; S347-K350 VanDerWaalsContact O-O 3.13Å; L348-K350 VanDerWaalsContact C-N 3.3Å; K350-H377 PolarHBondContact O-NE2 3.43Å
351Y88.5Confident84.3Confident15 Ų1575.6 Ų75.66%0.05936%0.363CS..EExtended strand (participates in β ladder)trans-125.3124.2174.5-175.7-78.7000107.5F353 V368 L376 H377 D380 S387Y351-F353 HydrophobicContact CD1-CD1 4.23Å; Y351-F353 HydrophobicContact CD1-CD2 4.2Å; Y351-F353 HydrophobicContact CD1-CE1 4.05Å; Y351-F353 AromaticContact CD1-CE2 3.99Å; Y351-F353 HydrophobicContact CD1-CE2 3.99Å; Y351-F353 HydrophobicContact CD1-CG 4.33Å; Y351-F353 AromaticContact CD1-CZ 3.93Å; Y351-F353 HydrophobicContact CD1-CZ 3.93Å; Y351-F353 AromaticContact CE1-CD1 3.49Å; Y351-F353 HydrophobicContact CE1-CD1 3.49Å; Y351-F353 VanDerWaalsContact CE1-CD1 3.49Å; Y351-F353 HydrophobicContact CE1-CD2 4.27Å; Y351-F353 AromaticContact CE1-CE1 3.4Å; Y351-F353 HydrophobicContact CE1-CE1 3.4Å; Y351-F353 VanDerWaalsContact CE1-CE1 3.4Å; Y351-F353 HydrophobicContact CE1-CE2 4.17Å; Y351-F353 AromaticContact CE1-CG 3.97Å; Y351-F353 HydrophobicContact CE1-CG 3.97Å; Y351-F353 AromaticContact CE1-CZ 3.77Å; Y351-F353 HydrophobicContact CE1-CZ 3.77Å; Y351-V368 HydrophobicContact CD1-CG2 4.33Å; Y351-V368 HydrophobicContact CG-CG2 4.48Å; Y351-V368 PolarHBondContact N-O 3.46Å; Y351-V368 VanDerWaalsContact N-O 3.08Å; Y351-V368 PolarHBondContact O-N 3.29Å; Y351-L376 HydrophobicContact CD1-CB 4.44Å; Y351-L376 HydrophobicContact CD1-CD1 4.4Å; Y351-L376 HydrophobicContact CD2-CB 3.98Å; Y351-L376 HydrophobicContact CE2-CB 4.19Å; Y351-L376 HydrophobicContact CG-CB 4.15Å; Y351-H377 HydrophobicContact CD2-CB 4.4Å; Y351-H377 AromaticContact CD2-CD2 3.61Å; Y351-H377 AromaticContact CD2-CE1 3.39Å; Y351-H377 WeakPolarHBondContact CD2-CE1 3.41Å; Y351-H377 AromaticContact CD2-CG 3.6Å; Y351-H377 AromaticContact CD2-ND1 3.52Å; Y351-H377 AromaticContact CD2-NE2 3.47Å; Y351-H377 WeakPolarHBondContact CD2-NE2 3.47Å; Y351-H377 AromaticContact CE2-ND1 3.88Å; Y351-D380 HydrophobicContact CE2-CB 4.29Å; Y351-D380 PolarHBondContact OH-OD1 2.98Å; Y351-S387 WeakPolarHBondContact OH-CB 3.32Å
352S84.8Confident83.4Confident60 Ų6069.6 Ų69.642%0.4234%0.34SS..  trans-110.9134.9176550000110.6E354 D367S352-E354 PolarHBondContact O-N 3.35Å; S352-D367 WeakPolarHBondContact CA-OD1 3.43Å; S352-D367 VanDerWaalsContact CB-OD1 3.29Å; S352-D367 WeakPolarHBondContact CB-OD1 3.38Å
353F84Confident82.6Confident0 Ų073.6 Ų73.60%037%0.37CS..  trans-86.936.8174.5-64.5-81.6000111.7Y351 S355 I356 R357 I365 V368 L376 A391 L394Y351-F353 HydrophobicContact CD1-CD1 4.23Å; Y351-F353 HydrophobicContact CD1-CD2 4.2Å; Y351-F353 HydrophobicContact CD1-CE1 4.05Å; Y351-F353 AromaticContact CD1-CE2 3.99Å; Y351-F353 HydrophobicContact CD1-CE2 3.99Å; Y351-F353 HydrophobicContact CD1-CG 4.33Å; Y351-F353 AromaticContact CD1-CZ 3.93Å; Y351-F353 HydrophobicContact CD1-CZ 3.93Å; Y351-F353 AromaticContact CE1-CD1 3.49Å; Y351-F353 HydrophobicContact CE1-CD1 3.49Å; Y351-F353 VanDerWaalsContact CE1-CD1 3.49Å; Y351-F353 HydrophobicContact CE1-CD2 4.27Å; Y351-F353 AromaticContact CE1-CE1 3.4Å; Y351-F353 HydrophobicContact CE1-CE1 3.4Å; Y351-F353 VanDerWaalsContact CE1-CE1 3.4Å; Y351-F353 HydrophobicContact CE1-CE2 4.17Å; Y351-F353 AromaticContact CE1-CG 3.97Å; Y351-F353 HydrophobicContact CE1-CG 3.97Å; Y351-F353 AromaticContact CE1-CZ 3.77Å; Y351-F353 HydrophobicContact CE1-CZ 3.77Å; F353-S355 PolarHBondContact O-N 3.24Å; F353-I356 HydrophobicContact CB-CB 4.32Å; F353-I356 HydrophobicContact CB-CD1 4.44Å; F353-I356 HydrophobicContact CD1-CD1 3.58Å; F353-I356 HydrophobicContact CD1-CG1 4.42Å; F353-I356 HydrophobicContact CE1-CD1 4.33Å; F353-I356 HydrophobicContact CG-CD1 4.48Å; F353-I356 PolarHBondContact O-N 3.03Å; F353-I356 VanDerWaalsContact O-N 3.14Å; F353-R357 WeakPolarHBondContact O-CG 3.39Å; F353-R357 PolarHBondContact O-N 3.26Å; F353-I365 HydrophobicContact CB-CG2 3.78Å; F353-I365 HydrophobicContact CD2-CG2 3.56Å; F353-I365 HydrophobicContact CE2-CG2 4.26Å; F353-I365 HydrophobicContact CG-CG2 3.74Å; F353-V368 HydrophobicContact CE2-CG1 4.34Å; F353-V368 HydrophobicContact CE2-CG2 4.2Å; F353-L376 HydrophobicContact CE2-CD1 4.47Å; F353-L376 HydrophobicContact CZ-CD1 3.82Å; F353-A391 HydrophobicContact CD1-CB 3.86Å; F353-A391 HydrophobicContact CE1-CB 3.89Å; F353-A391 HydrophobicContact CG-CB 4.48Å; F353-L394 HydrophobicContact CE2-CD1 3.63Å; F353-L394 HydrophobicContact CZ-CD1 3.71Å
354E82.1Confident82.3Confident117 Ų11776 Ų7655%0.54738%0.383SS..Hα-helixtrans-62.5-45.9-172-171.7165-158.500112S352 I356 R357 E358S352-E354 PolarHBondContact O-N 3.35Å; E354-I356 PolarHBondContact O-N 3.02Å; E354-R357 PolarHBondContact O-N 3.23Å; E354-R357 VanDerWaalsContact O-N 3.13Å; E354-E358 WeakPolarHBondContact O-CG 3.42Å; E354-E358 PolarHBondContact O-N 3.27Å
355S78.4Confident82Confident73 Ų7370.6 Ų70.651%0.5136%0.355SS..Hα-helixtrans-60.4-31175.561.10000113.1F353 E359F353-S355 PolarHBondContact O-N 3.24Å; S355-E359 VanDerWaalsContact O-CB 3.26Å; S355-E359 WeakPolarHBondContact O-CB 3.41Å; S355-E359 PolarHBondContact O-N 3.4Å; S355-E359 VanDerWaalsContact O-N 3.09Å
356I79.6Confident81.8Confident11 Ų1163.5 Ų63.56%0.05633%0.332CS..Hα-helixtrans-78.2-38.3178.2-52-170.9000110.4F353 E354 E358 E359 S360 I365 K388 A391F353-I356 HydrophobicContact CB-CB 4.32Å; F353-I356 HydrophobicContact CB-CD1 4.44Å; F353-I356 HydrophobicContact CD1-CD1 3.58Å; F353-I356 HydrophobicContact CD1-CG1 4.42Å; F353-I356 HydrophobicContact CE1-CD1 4.33Å; F353-I356 HydrophobicContact CG-CD1 4.48Å; F353-I356 PolarHBondContact O-N 3.03Å; F353-I356 VanDerWaalsContact O-N 3.14Å; E354-I356 PolarHBondContact O-N 3.02Å; I356-E358 PolarHBondContact O-N 3.34Å; I356-E359 PolarHBondContact O-N 3.09Å; I356-S360 WeakPolarHBondContact O-CA 3.35Å; I356-S360 VanDerWaalsContact O-CB 3.29Å; I356-S360 WeakPolarHBondContact O-CB 3.4Å; I356-S360 PolarHBondContact O-N 3.24Å; I356-S360 PolarHBondContact O-OG 3.48Å; I356-I365 HydrophobicContact CG2-CD1 3.97Å; I356-K388 HydrophobicContact CD1-CG 4.09Å; I356-K388 HydrophobicContact CG1-CG 4.42Å; I356-A391 HydrophobicContact CD1-CB 3.76Å; I356-A391 HydrophobicContact CG2-CB 4.3Å
357R83.3Confident81.9Confident80 Ų8060.1 Ų60.130%0.30233%0.325SS..Hα-helixtrans-66-27.4175-72.4-174.9-92.4162.8-9112.4F353 E354 S360 Y362 S363 I365 D367F353-R357 WeakPolarHBondContact O-CG 3.39Å; F353-R357 PolarHBondContact O-N 3.26Å; E354-R357 PolarHBondContact O-N 3.23Å; E354-R357 VanDerWaalsContact O-N 3.13Å; R357-S360 VanDerWaalsContact O-O 3.1Å; R357-Y362 WeakPolarHBondContact CG-O 3.4Å; R357-S363 WeakPolarHBondContact CD-O 3.37Å; R357-I365 HydrophobicContact CG-CB 4.28Å; R357-I365 HydrophobicContact CG-CD1 4.5Å; R357-D367 IonicContact CZ-OD1 3.9Å; R357-D367 IonicContact NH2-OD1 3.47Å; R357-D367 PolarHBondContact NH2-OD1 2.93Å; R357-D367 IonicContact NH2-OD2 2.76Å; R357-D367 PolarHBondContact NH2-OD2 2.82Å
358E78.6Confident82.1Confident152 Ų15256 Ų5671%0.7130%0.296SS*.Hα-helixtrans-79.4-37.5173.2-71-179.1169.100112.7E354 I356E354-E358 WeakPolarHBondContact O-CG 3.42Å; E354-E358 PolarHBondContact O-N 3.27Å; I356-E358 PolarHBondContact O-N 3.34Å
359E74.3Confident82Confident110 Ų11061.7 Ų61.751%0.51432%0.321SS..Hα-helixtrans-87.7-17.1-177.2-166-179.3167.900113.5S355 I356 K388S355-E359 VanDerWaalsContact O-CB 3.26Å; S355-E359 WeakPolarHBondContact O-CB 3.41Å; S355-E359 PolarHBondContact O-N 3.4Å; S355-E359 VanDerWaalsContact O-N 3.09Å; I356-E359 PolarHBondContact O-N 3.09Å; E359-K388 IonicContact OE1-NZ 2.59Å; E359-K388 PolarHBondContact OE1-NZ 3.2Å; E359-K388 VanDerWaalsContact OE2-CE 3.29Å; E359-K388 WeakPolarHBondContact OE2-CE 3.46Å; E359-K388 IonicContact OE2-NZ 3.72Å; E359-K388 PolarHBondContact OE2-NZ 2.88Å
360S70.6Confident82.2Confident16 Ų1660.9 Ų60.911%0.11232%0.32CS..SBendtrans-124.3155.2-179.672.80000111.7I356 R357 Y362I356-S360 WeakPolarHBondContact O-CA 3.35Å; I356-S360 VanDerWaalsContact O-CB 3.29Å; I356-S360 WeakPolarHBondContact O-CB 3.4Å; I356-S360 PolarHBondContact O-N 3.24Å; I356-S360 PolarHBondContact O-OG 3.48Å; R357-S360 VanDerWaalsContact O-O 3.1Å; S360-Y362 PolarHBondContact O-N 3.28Å; S360-Y362 VanDerWaalsContact O-N 3.14Å
361S69.8Low82.3Confident65 Ų6554.2 Ų54.246%0.45529%0.291SS..SBendtrans-72.3-0.1176.158.10000114.1T176 E179 S363T176-S361 VanDerWaalsContact CG2-OG 3.29Å; T176-S361 WeakPolarHBondContact CG2-OG 3.39Å; E179-S361 PolarHBondContact OE2-OG 3.46Å; S361-S363 PolarHBondContact O-N 3.46Å
362Y76.6Confident82.5Confident3 Ų353.5 Ų53.51%0.01229%0.288CS..  trans-85.786.7177.4-60.7-68.3000111.6A172 T176 R357 S360 D364 I365 S395 V397A172-Y362 PolarHBondContact O-OH 2.94Å; T176-Y362 HydrophobicContact CG2-CD2 3.85Å; T176-Y362 HydrophobicContact CG2-CE2 3.33Å; R357-Y362 WeakPolarHBondContact CG-O 3.4Å; S360-Y362 PolarHBondContact O-N 3.28Å; S360-Y362 VanDerWaalsContact O-N 3.14Å; Y362-D364 VanDerWaalsContact C-N 3.34Å; Y362-I365 WeakPolarHBondContact O-CD1 3.35Å; Y362-S395 WeakPolarHBondContact CD1-OG 3.3Å; Y362-V397 HydrophobicContact CD1-CB 4.31Å; Y362-V397 HydrophobicContact CD1-CG1 4.34Å; Y362-V397 HydrophobicContact CE1-CG1 4.23Å
363S77.1Confident82.8Confident96 Ų9650.7 Ų50.767%0.67127%0.268SS*.THydrogen-bonded Turntrans-80-13.2176.761.20000114.4R357 S361 I365R357-S363 WeakPolarHBondContact CD-O 3.37Å; S361-S363 PolarHBondContact O-N 3.46Å; S363-I365 VanDerWaalsContact C-N 3.33Å; S363-I365 PolarHBondContact O-N 2.91Å
364D84.6Confident83.2Confident52 Ų5250.7 Ų50.728%0.27827%0.268SS..THydrogen-bonded Turntrans-84.4-2.5-173.369.3-41.3000114.2Y362 P366 S395 E396 V397Y362-D364 VanDerWaalsContact C-N 3.34Å; D364-P366 WeakPolarHBondContact O-CD 3.34Å; D364-S395 WeakPolarHBondContact OD1-CB 3.18Å; D364-S395 PolarHBondContact OD1-OG 3.16Å; D364-S395 WeakPolarHBondContact OD2-CA 3.44Å; D364-S395 PolarHBondContact OD2-OG 2.83Å; D364-E396 PolarHBondContact OD2-N 3.39Å; D364-V397 HydrophobicContact CB-CG2 4.32Å; D364-V397 PolarHBondContact OD2-N 2.83Å
365I85.1Confident83.7Confident4 Ų445.1 Ų45.12%0.02124%0.242CC..PPolyproline II helixtrans-62.7121.7-177.2-60.2165.7000110.1F353 I356 R357 Y362 S363 A391 L394F353-I365 HydrophobicContact CB-CG2 3.78Å; F353-I365 HydrophobicContact CD2-CG2 3.56Å; F353-I365 HydrophobicContact CE2-CG2 4.26Å; F353-I365 HydrophobicContact CG-CG2 3.74Å; I356-I365 HydrophobicContact CG2-CD1 3.97Å; R357-I365 HydrophobicContact CG-CB 4.28Å; R357-I365 HydrophobicContact CG-CD1 4.5Å; Y362-I365 WeakPolarHBondContact O-CD1 3.35Å; S363-I365 VanDerWaalsContact C-N 3.33Å; S363-I365 PolarHBondContact O-N 2.91Å; I365-A391 HydrophobicContact CD1-CB 4.13Å; I365-A391 HydrophobicContact CG2-CB 4.42Å; I365-L394 HydrophobicContact CG2-CB 4.44Å
366P87Confident84.3Confident33 Ų3341.6 Ų41.621%0.21422%0.218CC..PPolyproline II helixtrans-78.5147.1-17530.8-35.2000112.6D364 L394D364-P366 WeakPolarHBondContact O-CD 3.34Å; P366-L394 WeakPolarHBondContact CD-O 3.44Å; P366-L394 HydrophobicContact CG-CB 4.34Å
367D87.3Confident84.8Confident76 Ų7642.4 Ų42.441%0.40622%0.221SC..PPolyproline II helixtrans-75.2141.6168.9-68.2-33000111.3S352 R357S352-D367 WeakPolarHBondContact CA-OD1 3.43Å; S352-D367 VanDerWaalsContact CB-OD1 3.29Å; S352-D367 WeakPolarHBondContact CB-OD1 3.38Å; R357-D367 IonicContact CZ-OD1 3.9Å; R357-D367 IonicContact NH2-OD1 3.47Å; R357-D367 PolarHBondContact NH2-OD1 2.93Å; R357-D367 IonicContact NH2-OD2 2.76Å; R357-D367 PolarHBondContact NH2-OD2 2.82Å
368V88.6Confident85.1Confident1 Ų138.6 Ų38.61%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-116.8155.8-173.2-61.60000111.8Y351 F353 F372 A373 L376Y351-V368 HydrophobicContact CD1-CG2 4.33Å; Y351-V368 HydrophobicContact CG-CG2 4.48Å; Y351-V368 PolarHBondContact N-O 3.46Å; Y351-V368 VanDerWaalsContact N-O 3.08Å; Y351-V368 PolarHBondContact O-N 3.29Å; F353-V368 HydrophobicContact CE2-CG1 4.34Å; F353-V368 HydrophobicContact CE2-CG2 4.2Å; V368-F372 HydrophobicContact CB-CD1 3.65Å; V368-F372 HydrophobicContact CB-CE1 4.14Å; V368-F372 HydrophobicContact CG1-CD1 3.83Å; V368-F372 HydrophobicContact CG1-CE1 3.82Å; V368-F372 HydrophobicContact CG2-CD1 3.75Å; V368-F372 HydrophobicContact CG2-CE1 4.19Å; V368-A373 HydrophobicContact CG2-CB 4.21Å; V368-L376 HydrophobicContact CG2-CD1 3.71Å
369K88.1Confident85.7Confident122 Ų12231.3 Ų31.353%0.5317%0.173SC..EExtended strand (participates in β ladder)trans-130.9165-170.2-63179.4-1741690113.1K349 A373K349-K369 CarbonylContact O-C 3.51Å; K349-K369 VanDerWaalsContact O-CA 3.26Å; K349-K369 WeakPolarHBondContact O-CA 3.3Å; K369-A373 PolarHBondContact O-N 3.13Å
370N89.9Confident86.5Confident53 Ų5328.3 Ų28.328%0.28316%0.16SC..Hα-helixtrans60.1-137.3170.7-57.4-34.3000114.1E255 G257 K349 F372 A373 F374E255-N370 PolarHBondContact O-ND2 2.83Å; G257-N370 WeakPolarHBondContact O-CB 3.46Å; K349-N370 PolarHBondContact O-N 3.31Å; N370-F372 PolarHBondContact O-N 2.77Å; N370-A373 PolarHBondContact O-N 3.02Å; N370-F374 PolarHBondContact O-N 3.12Å
371D90.4Very high87.4Confident0 Ų030.5 Ų30.50%017%0.168CC..Hα-helixtrans-58-35.8-176-82.1-22.4000112K152 V254 G257 D258 I259 V260 Y261 F374 M375K152-D371 IonicContact NZ-OD2 2.97Å; K152-D371 PolarHBondContact NZ-OD2 2.97Å; V254-D371 HydrophobicContact CG1-CB 3.72Å; G257-D371 VanDerWaalsContact C-OD2 3.28Å; G257-D371 VanDerWaalsContact O-CB 3.28Å; G257-D371 WeakPolarHBondContact O-CB 3.38Å; G257-D371 PolarHBondContact O-N 2.93Å; G257-D371 VanDerWaalsContact O-OD2 3.08Å; D258-D371 VanDerWaalsContact CA-CG 3.42Å; D258-D371 WeakPolarHBondContact CA-OD1 3.19Å; D258-D371 PolarHBondContact N-OD2 3.08Å; I259-D371 PolarHBondContact N-OD1 2.8Å; I259-D371 PolarHBondContact N-OD2 3.04Å; V260-D371 WeakPolarHBondContact CA-OD1 3.39Å; V260-D371 HydrophobicContact CB-CB 4.37Å; V260-D371 VanDerWaalsContact CB-OD1 3.32Å; V260-D371 WeakPolarHBondContact CB-OD1 3.39Å; V260-D371 HydrophobicContact CG2-CB 4.39Å; V260-D371 PolarHBondContact N-OD1 2.96Å; V260-D371 PolarHBondContact N-OD2 3.36Å; Y261-D371 PolarHBondContact N-OD1 3.03Å; D371-F374 PolarHBondContact O-N 3.12Å; D371-M375 VanDerWaalsContact O-CG 3.3Å; D371-M375 WeakPolarHBondContact O-CG 3.41Å; D371-M375 PolarHBondContact O-N 3.25Å
372F91.5Very high88.3Confident0 Ų032.8 Ų32.80%017%0.168CC..Hα-helixtrans-66.5-45.6-179.2-167.7-98.9000111.7F156 F250 V254 E255 V368 N370 F374 M375 L376 F390F156-F372 HydrophobicContact CD2-CE2 4.44Å; F156-F372 HydrophobicContact CE2-CE2 4.2Å; F250-F372 HydrophobicContact CD1-CD2 4.13Å; F250-F372 AromaticContact CD1-CE2 3.69Å; F250-F372 HydrophobicContact CD1-CE2 3.69Å; F250-F372 AromaticContact CE1-CD2 3.76Å; F250-F372 HydrophobicContact CE1-CD2 3.76Å; F250-F372 AromaticContact CE1-CE2 3.61Å; F250-F372 HydrophobicContact CE1-CE2 3.61Å; V254-F372 HydrophobicContact CB-CB 4.4Å; V254-F372 HydrophobicContact CB-CD2 4.36Å; V254-F372 HydrophobicContact CG1-CB 3.81Å; V254-F372 HydrophobicContact CG1-CD2 4.25Å; E255-F372 HydrophobicContact CG-CB 4.2Å; V368-F372 HydrophobicContact CB-CD1 3.65Å; V368-F372 HydrophobicContact CB-CE1 4.14Å; V368-F372 HydrophobicContact CG1-CD1 3.83Å; V368-F372 HydrophobicContact CG1-CE1 3.82Å; V368-F372 HydrophobicContact CG2-CD1 3.75Å; V368-F372 HydrophobicContact CG2-CE1 4.19Å; N370-F372 PolarHBondContact O-N 2.77Å; F372-F374 VanDerWaalsContact C-N 3.34Å; F372-F374 PolarHBondContact O-N 3.34Å; F372-M375 PolarHBondContact O-N 3.39Å; F372-L376 HydrophobicContact CD1-CD1 3.65Å; F372-L376 HydrophobicContact CE1-CD1 3.46Å; F372-L376 VanDerWaalsContact CE1-CD1 3.46Å; F372-L376 HydrophobicContact CE1-CG 4.42Å; F372-L376 HydrophobicContact CZ-CD1 4.27Å; F372-L376 WeakPolarHBondContact O-CG 3.43Å; F372-L376 PolarHBondContact O-N 2.91Å; F372-F390 HydrophobicContact CE1-CE1 4.07Å; F372-F390 HydrophobicContact CE2-CE1 4.43Å; F372-F390 HydrophobicContact CE2-CZ 4.14Å; F372-F390 AromaticContact CZ-CE1 3.46Å; F372-F390 HydrophobicContact CZ-CE1 3.46Å; F372-F390 VanDerWaalsContact CZ-CE1 3.46Å; F372-F390 AromaticContact CZ-CZ 3.54Å; F372-F390 HydrophobicContact CZ-CZ 3.54Å
373A91.6Very high88.9Confident0 Ų034.9 Ų34.90%018%0.18CC..Hα-helixtrans-60.1-43.3172.900000112.3V368 K369 N370 L376 H377V368-A373 HydrophobicContact CG2-CB 4.21Å; K369-A373 PolarHBondContact O-N 3.13Å; N370-A373 PolarHBondContact O-N 3.02Å; A373-L376 PolarHBondContact O-N 3.49Å; A373-H377 PolarHBondContact O-CD2 3.08Å; A373-H377 PolarHBondContact O-N 2.84Å
374F92.9Very high89.3Confident0 Ų033.5 Ų33.50%017%0.168CC..Hα-helixtrans-63.2-45.3179.6174.7-114.9000111.8V260 Y261 Y264 M343 L348 N370 D371 F372 L376 H377 L378V260-F374 HydrophobicContact CG1-CD1 4Å; V260-F374 HydrophobicContact CG1-CE1 4.04Å; Y261-F374 HydrophobicContact CD2-CB 4.38Å; Y261-F374 AromaticContact CD2-CD2 3.67Å; Y261-F374 HydrophobicContact CD2-CD2 3.67Å; Y261-F374 HydrophobicContact CD2-CE2 4.05Å; Y261-F374 AromaticContact CD2-CG 3.94Å; Y261-F374 HydrophobicContact CD2-CG 3.94Å; Y261-F374 HydrophobicContact CE2-CD2 4.44Å; Y264-F374 AromaticContact CD1-CZ 3.9Å; Y264-F374 HydrophobicContact CD1-CZ 3.9Å; Y264-F374 HydrophobicContact CD2-CE1 4.21Å; Y264-F374 HydrophobicContact CD2-CZ 4Å; Y264-F374 HydrophobicContact CG-CE1 4Å; Y264-F374 AromaticContact CG-CZ 3.55Å; Y264-F374 HydrophobicContact CG-CZ 3.55Å; M343-F374 HydrophobicContact CE-CE2 4.07Å; M343-F374 HydrophobicContact CE-CZ 4.33Å; L348-F374 HydrophobicContact CB-CD2 3.95Å; L348-F374 HydrophobicContact CD1-CD2 4.06Å; L348-F374 HydrophobicContact CD1-CE2 3.92Å; L348-F374 WeakPolarHBondContact O-CA 3.28Å; L348-F374 PolarHBondContact O-N 3.11Å; N370-F374 PolarHBondContact O-N 3.12Å; D371-F374 PolarHBondContact O-N 3.12Å; F372-F374 VanDerWaalsContact C-N 3.34Å; F372-F374 PolarHBondContact O-N 3.34Å; F374-L376 VanDerWaalsContact C-N 3.34Å; F374-L376 PolarHBondContact O-N 3.22Å; F374-H377 PolarHBondContact O-N 3.2Å; F374-L378 HydrophobicContact CD1-CD1 4.27Å; F374-L378 HydrophobicContact CE1-CD1 3.64Å; F374-L378 HydrophobicContact CE1-CG 4.32Å; F374-L378 HydrophobicContact CE2-CD1 4.35Å; F374-L378 HydrophobicContact CE2-CD2 4.27Å; F374-L378 HydrophobicContact CE2-CG 4.19Å; F374-L378 HydrophobicContact CZ-CD1 3.69Å; F374-L378 HydrophobicContact CZ-CD2 4.15Å; F374-L378 HydrophobicContact CZ-CG 4.01Å; F374-L378 PolarHBondContact O-N 3.42Å; F374-L378 VanDerWaalsContact O-N 3.08Å
375M91.6Very high89.4Confident0 Ų035.4 Ų35.40%018%0.178CC..Hα-helixtrans-63.8-40.2177.7-68.3-175.6-59.200111.5L153 F156 F250 V254 V260 D371 F372 L378 I379L153-M375 HydrophobicContact CD2-CG 4.18Å; L153-M375 HydrophobicContact CD2-SD 3.63Å; F156-M375 HydrophobicContact CB-CE 4.2Å; F156-M375 HydrophobicContact CB-SD 4.11Å; F156-M375 HydrophobicContact CD1-CB 3.91Å; F156-M375 HydrophobicContact CD1-CE 4.38Å; F156-M375 HydrophobicContact CD1-CG 4.42Å; F156-M375 HydrophobicContact CD1-SD 3.95Å; F156-M375 HydrophobicContact CD2-CE 4.14Å; F156-M375 HydrophobicContact CE1-CB 3.47Å; F156-M375 VanDerWaalsContact CE1-CB 3.47Å; F156-M375 HydrophobicContact CE1-CG 4.43Å; F156-M375 HydrophobicContact CE1-SD 4.49Å; F156-M375 HydrophobicContact CE2-CB 4.45Å; F156-M375 HydrophobicContact CG-CE 4Å; F156-M375 HydrophobicContact CG-SD 4.03Å; F156-M375 HydrophobicContact CZ-CB 3.74Å; F250-M375 HydrophobicContact CZ-CE 4.33Å; V254-M375 HydrophobicContact CG1-CE 3.56Å; V260-M375 HydrophobicContact CG1-CG 4.42Å; D371-M375 VanDerWaalsContact O-CG 3.3Å; D371-M375 WeakPolarHBondContact O-CG 3.41Å; D371-M375 PolarHBondContact O-N 3.25Å; F372-M375 PolarHBondContact O-N 3.39Å; M375-L378 WeakPolarHBondContact O-CB 3.49Å; M375-L378 PolarHBondContact O-N 3.25Å; M375-I379 WeakPolarHBondContact O-CG1 3.49Å; M375-I379 PolarHBondContact O-N 3.5Å; M375-I379 VanDerWaalsContact O-N 3.14Å
376L91.1Very high89.6Confident0 Ų036.7 Ų36.70%018%0.183CC..Hα-helixtrans-62.3-42.6174.2-76.1166.5000112.7F156 Y351 F353 V368 F372 A373 F374 L378 I379 D380 F390F156-L376 HydrophobicContact CE2-CD2 4.42Å; F156-L376 HydrophobicContact CZ-CD2 4.11Å; F156-L376 HydrophobicContact CZ-CG 4.2Å; Y351-L376 HydrophobicContact CD1-CB 4.44Å; Y351-L376 HydrophobicContact CD1-CD1 4.4Å; Y351-L376 HydrophobicContact CD2-CB 3.98Å; Y351-L376 HydrophobicContact CE2-CB 4.19Å; Y351-L376 HydrophobicContact CG-CB 4.15Å; F353-L376 HydrophobicContact CE2-CD1 4.47Å; F353-L376 HydrophobicContact CZ-CD1 3.82Å; V368-L376 HydrophobicContact CG2-CD1 3.71Å; F372-L376 HydrophobicContact CD1-CD1 3.65Å; F372-L376 HydrophobicContact CE1-CD1 3.46Å; F372-L376 VanDerWaalsContact CE1-CD1 3.46Å; F372-L376 HydrophobicContact CE1-CG 4.42Å; F372-L376 HydrophobicContact CZ-CD1 4.27Å; F372-L376 WeakPolarHBondContact O-CG 3.43Å; F372-L376 PolarHBondContact O-N 2.91Å; A373-L376 PolarHBondContact O-N 3.49Å; F374-L376 VanDerWaalsContact C-N 3.34Å; F374-L376 PolarHBondContact O-N 3.22Å; L376-L378 VanDerWaalsContact C-N 3.26Å; L376-L378 PolarHBondContact O-N 3.15Å; L376-I379 HydrophobicContact CD2-CD1 4.19Å; L376-I379 PolarHBondContact O-N 3.13Å; L376-D380 WeakPolarHBondContact O-CB 3.29Å; L376-D380 PolarHBondContact O-N 3.07Å; L376-F390 HydrophobicContact CD2-CD1 4.19Å
377H90.8Very high89.6Confident27 Ų2735.3 Ų35.313%0.12517%0.173CC..Hα-helixtrans-57.5-38.2172.6-84.4-63000112.3L348 K350 Y351 A373 F374 Q381L348-H377 HydrophobicContact CD2-CB 4.24Å; K350-H377 PolarHBondContact O-NE2 3.43Å; Y351-H377 HydrophobicContact CD2-CB 4.4Å; Y351-H377 AromaticContact CD2-CD2 3.61Å; Y351-H377 AromaticContact CD2-CE1 3.39Å; Y351-H377 WeakPolarHBondContact CD2-CE1 3.41Å; Y351-H377 AromaticContact CD2-CG 3.6Å; Y351-H377 AromaticContact CD2-ND1 3.52Å; Y351-H377 AromaticContact CD2-NE2 3.47Å; Y351-H377 WeakPolarHBondContact CD2-NE2 3.47Å; Y351-H377 AromaticContact CE2-ND1 3.88Å; A373-H377 PolarHBondContact O-CD2 3.08Å; A373-H377 PolarHBondContact O-N 2.84Å; F374-H377 PolarHBondContact O-N 3.2Å; H377-Q381 WeakPolarHBondContact O-CG 3.47Å; H377-Q381 PolarHBondContact O-N 3.4Å
378L90.1Very high89.5Confident0 Ų034.6 Ų34.60%017%0.167CC..Hα-helixtrans-66.6-42.9177.7-71.4177.8000112.3P22 W24 W143 W342 F374 M375 L376 D380 Q381P22-L378 HydrophobicContact CG-CD2 4.1Å; W24-L378 HydrophobicContact CZ2-CD2 4.37Å; W143-L378 HydrophobicContact CH2-CD1 4.02Å; W143-L378 HydrophobicContact CZ3-CD1 4.49Å; W342-L378 HydrophobicContact CH2-CD2 4.31Å; W342-L378 HydrophobicContact CZ3-CD2 4.42Å; F374-L378 HydrophobicContact CD1-CD1 4.27Å; F374-L378 HydrophobicContact CE1-CD1 3.64Å; F374-L378 HydrophobicContact CE1-CG 4.32Å; F374-L378 HydrophobicContact CE2-CD1 4.35Å; F374-L378 HydrophobicContact CE2-CD2 4.27Å; F374-L378 HydrophobicContact CE2-CG 4.19Å; F374-L378 HydrophobicContact CZ-CD1 3.69Å; F374-L378 HydrophobicContact CZ-CD2 4.15Å; F374-L378 HydrophobicContact CZ-CG 4.01Å; F374-L378 PolarHBondContact O-N 3.42Å; F374-L378 VanDerWaalsContact O-N 3.08Å; M375-L378 WeakPolarHBondContact O-CB 3.49Å; M375-L378 PolarHBondContact O-N 3.25Å; L376-L378 VanDerWaalsContact C-N 3.26Å; L376-L378 PolarHBondContact O-N 3.15Å; L378-D380 VanDerWaalsContact C-N 3.34Å; L378-Q381 PolarHBondContact O-N 3.17Å
379I91.2Very high89.5Confident0 Ų037.6 Ų37.60%018%0.178CC..Hα-helixtrans-70-35.3178.1-43155.4000111.2I19 L20 F156 L160 M375 L376 Q381 Y382 D383 Y386I19-I379 HydrophobicContact CG2-CG2 3.7Å; L20-I379 HydrophobicContact CD2-CG1 4.15Å; F156-I379 HydrophobicContact CD1-CD1 4.47Å; F156-I379 HydrophobicContact CE1-CD1 3.24Å; F156-I379 HydrophobicContact CE1-CG1 3.75Å; F156-I379 HydrophobicContact CE2-CD1 4.33Å; F156-I379 HydrophobicContact CZ-CD1 3.17Å; F156-I379 HydrophobicContact CZ-CG1 4.14Å; L160-I379 HydrophobicContact CD1-CD1 3.96Å; L160-I379 HydrophobicContact CD2-CD1 3.64Å; L160-I379 HydrophobicContact CD2-CG1 4.2Å; L160-I379 HydrophobicContact CD2-CG2 4.14Å; L160-I379 HydrophobicContact CG-CD1 4.43Å; M375-I379 WeakPolarHBondContact O-CG1 3.49Å; M375-I379 PolarHBondContact O-N 3.5Å; M375-I379 VanDerWaalsContact O-N 3.14Å; L376-I379 HydrophobicContact CD2-CD1 4.19Å; L376-I379 PolarHBondContact O-N 3.13Å; I379-Q381 PolarHBondContact O-N 3.25Å; I379-Y382 CarbonylContact O-C 3.26Å; I379-Y382 WeakPolarHBondContact O-CA 3.34Å; I379-Y382 VanDerWaalsContact O-CB 3.29Å; I379-Y382 WeakPolarHBondContact O-CB 3.33Å; I379-Y382 PolarHBondContact O-N 2.96Å; I379-D383 PolarHBondContact O-N 3.36Å; I379-Y386 HydrophobicContact CG2-CD2 4.02Å; I379-Y386 HydrophobicContact CG2-CG 3.95Å
380D89.9Confident89.6Confident46 Ų4631.8 Ų31.825%0.24615%0.153CC..Hα-helixtrans-60.9-30179-163.175.9000111.8Y351 L376 L378 Y382 S387Y351-D380 HydrophobicContact CE2-CB 4.29Å; Y351-D380 PolarHBondContact OH-OD1 2.98Å; L376-D380 WeakPolarHBondContact O-CB 3.29Å; L376-D380 PolarHBondContact O-N 3.07Å; L378-D380 VanDerWaalsContact C-N 3.34Å; D380-Y382 VanDerWaalsContact C-N 3.31Å; D380-S387 PolarHBondContact OD1-OG 3.18Å
381Q89.9Confident89.5Confident62 Ų6229.3 Ų29.329%0.2914%0.139SC..THydrogen-bonded Turntrans-75.9-16.4171-61.8-54.9-7500114P22 W342 H377 L378 I379P22-Q381 HydrophobicContact CB-CB 4.43Å; W342-Q381 HydrophobicContact CZ2-CG 3.92Å; H377-Q381 WeakPolarHBondContact O-CG 3.47Å; H377-Q381 PolarHBondContact O-N 3.4Å; L378-Q381 PolarHBondContact O-N 3.17Å; I379-Q381 PolarHBondContact O-N 3.25Å
382Y89.5Confident89.4Confident114 Ų11429.4 Ų29.445%0.44714%0.14SC..THydrogen-bonded Turntrans-87.3-58.7174.6179.5-94.7000110.7I19 I379 D380 Y386I19-Y382 HydrophobicContact CG1-CE1 4.41Å; I19-Y382 HydrophobicContact CG2-CD1 4.08Å; I19-Y382 HydrophobicContact CG2-CE1 4.37Å; I379-Y382 CarbonylContact O-C 3.26Å; I379-Y382 WeakPolarHBondContact O-CA 3.34Å; I379-Y382 VanDerWaalsContact O-CB 3.29Å; I379-Y382 WeakPolarHBondContact O-CB 3.33Å; I379-Y382 PolarHBondContact O-N 2.96Å; D380-Y382 VanDerWaalsContact C-N 3.31Å; Y382-Y386 HydrophobicContact CD1-CD2 4.42Å; Y382-Y386 HydrophobicContact CD1-CE2 4.18Å; Y382-Y386 HydrophobicContact CE1-CE2 4.06Å
383D89Confident89.2Confident47 Ų4729.5 Ų29.525%0.25114%0.141SC..  trans-158.4120.9175.7179.8-4.3000110.7I379 L385 Y386I379-D383 PolarHBondContact O-N 3.36Å; D383-L385 PolarHBondContact O-N 3.25Å; D383-L385 WeakPolarHBondContact OD1-CB 3.36Å; D383-L385 WeakPolarHBondContact OD1-CG 3.28Å; D383-L385 PolarHBondContact OD1-N 3.17Å; D383-Y386 HydrophobicContact CB-CD2 3.96Å; D383-Y386 HydrophobicContact CB-CE2 4.25Å; D383-Y386 PolarHBondContact O-N 3.13Å
384P86.1Confident89.1Confident67 Ų6730.3 Ų30.344%0.43515%0.145SC..Hα-helixtrans-66.8-12.718029.3-37000114Y386 S387 K388P384-Y386 PolarHBondContact O-N 3.48Å; P384-S387 PolarHBondContact O-N 3.34Å; P384-S387 PolarHBondContact O-OG 3.46Å; P384-K388 WeakPolarHBondContact O-CG 3.46Å; P384-K388 PolarHBondContact O-N 2.91Å; P384-K388 VanDerWaalsContact O-N 3.08Å
385L86.9Confident88.9Confident91 Ų9130.4 Ų30.448%0.47615%0.146SC..Hα-helixtrans-64.6-30.9176.3-67.8175.2000112.5D383 K388 R389D383-L385 PolarHBondContact O-N 3.25Å; D383-L385 WeakPolarHBondContact OD1-CB 3.36Å; D383-L385 WeakPolarHBondContact OD1-CG 3.28Å; D383-L385 PolarHBondContact OD1-N 3.17Å; L385-K388 PolarHBondContact O-N 2.79Å; L385-R389 PolarHBondContact O-N 3.24Å
386Y89Confident88.6Confident32 Ų3236.6 Ų36.613%0.12518%0.175CC..Hα-helixtrans-66.5-45.1176.5-78.3-75.5000111.8I19 L160 F164 I379 Y382 D383 P384 K388 F390I19-Y386 HydrophobicContact CG2-CD2 4.48Å; I19-Y386 HydrophobicContact CG2-CE2 4.33Å; L160-Y386 HydrophobicContact CD1-CD1 4.15Å; L160-Y386 HydrophobicContact CD2-CD1 3.76Å; L160-Y386 HydrophobicContact CD2-CE1 4.32Å; L160-Y386 HydrophobicContact CD2-CG 4.2Å; L160-Y386 HydrophobicContact CG-CD1 3.73Å; L160-Y386 HydrophobicContact CG-CE1 4.4Å; L160-Y386 HydrophobicContact CG-CG 4.47Å; F164-Y386 HydrophobicContact CB-CD1 4.33Å; F164-Y386 HydrophobicContact CB-CE1 4.08Å; F164-Y386 AromaticContact CD2-CD1 3.75Å; F164-Y386 HydrophobicContact CD2-CD1 3.75Å; F164-Y386 AromaticContact CD2-CE1 3.64Å; F164-Y386 HydrophobicContact CD2-CE1 3.64Å; F164-Y386 HydrophobicContact CD2-CG 4.47Å; F164-Y386 HydrophobicContact CE2-CD1 4.46Å; F164-Y386 HydrophobicContact CE2-CE1 4.23Å; F164-Y386 HydrophobicContact CG-CD1 4.27Å; F164-Y386 AromaticContact CG-CE1 3.86Å; F164-Y386 HydrophobicContact CG-CE1 3.86Å; I379-Y386 HydrophobicContact CG2-CD2 4.02Å; I379-Y386 HydrophobicContact CG2-CG 3.95Å; Y382-Y386 HydrophobicContact CD1-CD2 4.42Å; Y382-Y386 HydrophobicContact CD1-CE2 4.18Å; Y382-Y386 HydrophobicContact CE1-CE2 4.06Å; D383-Y386 HydrophobicContact CB-CD2 3.96Å; D383-Y386 HydrophobicContact CB-CE2 4.25Å; D383-Y386 PolarHBondContact O-N 3.13Å; P384-Y386 PolarHBondContact O-N 3.48Å; Y386-K388 VanDerWaalsContact C-N 3.34Å; Y386-F390 WeakPolarHBondContact O-CB 3.27Å; Y386-F390 PolarHBondContact O-N 2.85Å
387S86.8Confident88.3Confident3 Ų339.9 Ų39.92%0.02120%0.195CC..Hα-helixtrans-65.3-39.5176.7530000110.9Y351 D380 P384 F390 A391Y351-S387 WeakPolarHBondContact OH-CB 3.32Å; D380-S387 PolarHBondContact OD1-OG 3.18Å; P384-S387 PolarHBondContact O-N 3.34Å; P384-S387 PolarHBondContact O-OG 3.46Å; S387-F390 PolarHBondContact O-N 3.02Å; S387-A391 WeakPolarHBondContact O-CB 3.24Å; S387-A391 PolarHBondContact O-N 3.3Å
388K85.6Confident88.1Confident61 Ų6138.6 Ų38.627%0.26519%0.189SC..Hα-helixtrans-58.1-54.6173.7-74.9-173.5173.8-167.20114I356 E359 P384 L385 Y386 F390 A391I356-K388 HydrophobicContact CD1-CG 4.09Å; I356-K388 HydrophobicContact CG1-CG 4.42Å; E359-K388 IonicContact OE1-NZ 2.59Å; E359-K388 PolarHBondContact OE1-NZ 3.2Å; E359-K388 VanDerWaalsContact OE2-CE 3.29Å; E359-K388 WeakPolarHBondContact OE2-CE 3.46Å; E359-K388 IonicContact OE2-NZ 3.72Å; E359-K388 PolarHBondContact OE2-NZ 2.88Å; P384-K388 WeakPolarHBondContact O-CG 3.46Å; P384-K388 PolarHBondContact O-N 2.91Å; P384-K388 VanDerWaalsContact O-N 3.08Å; L385-K388 PolarHBondContact O-N 2.79Å; Y386-K388 VanDerWaalsContact C-N 3.34Å; K388-F390 VanDerWaalsContact C-N 3.32Å; K388-F390 PolarHBondContact O-N 3.23Å; K388-A391 PolarHBondContact O-N 3.05Å
389R88.4Confident88Confident64 Ų6439.3 Ų39.324%0.24219%0.192CC..Hα-helixtrans-66.7-35.4179.5-72.2-170.3177.7-172.50.1112.6F164 T169 L173 L385F164-R389 PolarHBondContact O-NH1 2.95Å; T169-R389 HydrophobicContact CG2-CB 4.44Å; L173-R389 HydrophobicContact CD1-CG 3.98Å; L385-R389 PolarHBondContact O-N 3.24Å
390F90.1Very high87.6Confident1 Ų143.5 Ų43.50%0.00421%0.214CC..Hα-helixtrans-67.6-37.1178.8-171.9-88.8000112.3I159 L160 C163 V247 F372 L376 Y386 S387 K388 V392 F393 L394I159-F390 HydrophobicContact CG2-CE2 3.98Å; L160-F390 HydrophobicContact CD1-CB 4.26Å; L160-F390 HydrophobicContact CD1-CD2 3.94Å; L160-F390 HydrophobicContact CD1-CG 4.34Å; C163-F390 HydrophobicContact CB-CD2 4.23Å; V247-F390 HydrophobicContact CG1-CE1 4.4Å; V247-F390 HydrophobicContact CG1-CZ 3.87Å; V247-F390 HydrophobicContact CG2-CE2 4.23Å; V247-F390 HydrophobicContact CG2-CZ 4.35Å; F372-F390 HydrophobicContact CE1-CE1 4.07Å; F372-F390 HydrophobicContact CE2-CE1 4.43Å; F372-F390 HydrophobicContact CE2-CZ 4.14Å; F372-F390 AromaticContact CZ-CE1 3.46Å; F372-F390 HydrophobicContact CZ-CE1 3.46Å; F372-F390 VanDerWaalsContact CZ-CE1 3.46Å; F372-F390 AromaticContact CZ-CZ 3.54Å; F372-F390 HydrophobicContact CZ-CZ 3.54Å; L376-F390 HydrophobicContact CD2-CD1 4.19Å; Y386-F390 WeakPolarHBondContact O-CB 3.27Å; Y386-F390 PolarHBondContact O-N 2.85Å; S387-F390 PolarHBondContact O-N 3.02Å; K388-F390 VanDerWaalsContact C-N 3.32Å; K388-F390 PolarHBondContact O-N 3.23Å; F390-V392 VanDerWaalsContact C-N 3.25Å; F390-V392 PolarHBondContact O-N 2.65Å; F390-F393 PolarHBondContact O-N 2.92Å; F390-F393 VanDerWaalsContact O-N 3.08Å; F390-L394 HydrophobicContact CD1-CD1 4.03Å; F390-L394 HydrophobicContact CD1-CG 4.38Å; F390-L394 HydrophobicContact CE1-CD1 3.8Å; F390-L394 HydrophobicContact CE1-CD2 4.28Å; F390-L394 HydrophobicContact CE1-CG 3.97Å
391A87.4Confident87.3Confident0 Ų044.4 Ų44.40%022%0.216CC..Hα-helixtrans-60.1-32.3-178.300000113.5F353 I356 I365 S387 K388 F393 L394F353-A391 HydrophobicContact CD1-CB 3.86Å; F353-A391 HydrophobicContact CE1-CB 3.89Å; F353-A391 HydrophobicContact CG-CB 4.48Å; I356-A391 HydrophobicContact CD1-CB 3.76Å; I356-A391 HydrophobicContact CG2-CB 4.3Å; I365-A391 HydrophobicContact CD1-CB 4.13Å; I365-A391 HydrophobicContact CG2-CB 4.42Å; S387-A391 WeakPolarHBondContact O-CB 3.24Å; S387-A391 PolarHBondContact O-N 3.3Å; K388-A391 PolarHBondContact O-N 3.05Å; A391-F393 VanDerWaalsContact C-N 3.25Å; A391-F393 PolarHBondContact O-N 2.84Å; A391-L394 WeakPolarHBondContact O-CB 3.09Å; A391-L394 PolarHBondContact O-N 3.01Å
392V87.6Confident87.2Confident3 Ų341.6 Ų41.62%0.01820%0.203CC..Hα-helixtrans-56.8-39.6175178.20000111.6A172 L173 F390 L394 S395 S398A172-V392 HydrophobicContact CB-CG1 3.58Å; L173-V392 HydrophobicContact CD1-CG2 4.46Å; L173-V392 HydrophobicContact CD2-CG2 3.77Å; L173-V392 HydrophobicContact CG-CG2 3.9Å; F390-V392 VanDerWaalsContact C-N 3.25Å; F390-V392 PolarHBondContact O-N 2.65Å; V392-L394 PolarHBondContact O-N 3.33Å; V392-S395 PolarHBondContact O-N 3.09Å; V392-S398 VanDerWaalsContact CG1-OG 3.28Å; V392-S398 WeakPolarHBondContact CG1-OG 3.4Å; V392-S398 WeakPolarHBondContact O-CB 3.34Å
393F88.4Confident87Confident1 Ų141.3 Ų41.30%0.00420%0.201CC..THydrogen-bonded Turntrans-76.1-4.7179.3-71.8-75.6000114.4C163 W168 T169 A240 L243 F244 V247 F390 A391C163-F393 HydrophobicContact CB-CD2 3.76Å; C163-F393 HydrophobicContact CB-CE2 3.66Å; C163-F393 VanDerWaalsContact SG-CD2 3.53Å; W168-F393 AromaticContact CD1-CE1 4Å; T169-F393 HydrophobicContact CG2-CD2 3.78Å; T169-F393 HydrophobicContact CG2-CE2 3.02Å; T169-F393 HydrophobicContact CG2-CZ 3.62Å; A240-F393 HydrophobicContact CB-CE1 4.42Å; L243-F393 HydrophobicContact CB-CD1 4.33Å; L243-F393 HydrophobicContact CB-CE1 3.98Å; L243-F393 HydrophobicContact CB-CZ 4.46Å; L243-F393 HydrophobicContact CD1-CE1 4.37Å; L243-F393 HydrophobicContact CD1-CZ 4.1Å; F244-F393 HydrophobicContact CD1-CB 4.46Å; F244-F393 HydrophobicContact CD1-CD1 4.19Å; F244-F393 VanDerWaalsContact CD1-O 3.27Å; F244-F393 WeakPolarHBondContact CD1-O 3.37Å; F244-F393 AromaticContact CD2-CD1 3.77Å; F244-F393 HydrophobicContact CD2-CD1 3.77Å; F244-F393 HydrophobicContact CD2-CE1 4.11Å; F244-F393 VanDerWaalsContact CE1-CA 3.47Å; F244-F393 HydrophobicContact CE1-CB 4.32Å; F244-F393 HydrophobicContact CE1-CD1 4.08Å; F244-F393 WeakPolarHBondContact CE1-O 3.42Å; F244-F393 AromaticContact CE2-CD1 3.6Å; F244-F393 HydrophobicContact CE2-CD1 3.6Å; F244-F393 AromaticContact CE2-CE1 3.88Å; F244-F393 HydrophobicContact CE2-CE1 3.88Å; F244-F393 HydrophobicContact CG-CD1 4.05Å; F244-F393 AromaticContact CZ-CD1 3.77Å; F244-F393 HydrophobicContact CZ-CD1 3.77Å; F244-F393 HydrophobicContact CZ-CE1 4.39Å; V247-F393 HydrophobicContact CG2-CB 4.19Å; F390-F393 PolarHBondContact O-N 2.92Å; F390-F393 VanDerWaalsContact O-N 3.08Å; A391-F393 VanDerWaalsContact C-N 3.25Å; A391-F393 PolarHBondContact O-N 2.84Å
394L88.1Confident86.8Confident18 Ų1841.6 Ų41.69%0.09420%0.201CC..THydrogen-bonded Turntrans-96.6-9.6172.7-68.1171.4000112.8V247 F353 I365 P366 F390 A391 V392V247-L394 HydrophobicContact CG1-CD2 3.72Å; V247-L394 HydrophobicContact CG1-CG 4.38Å; F353-L394 HydrophobicContact CE2-CD1 3.63Å; F353-L394 HydrophobicContact CZ-CD1 3.71Å; I365-L394 HydrophobicContact CG2-CB 4.44Å; P366-L394 WeakPolarHBondContact CD-O 3.44Å; P366-L394 HydrophobicContact CG-CB 4.34Å; F390-L394 HydrophobicContact CD1-CD1 4.03Å; F390-L394 HydrophobicContact CD1-CG 4.38Å; F390-L394 HydrophobicContact CE1-CD1 3.8Å; F390-L394 HydrophobicContact CE1-CD2 4.28Å; F390-L394 HydrophobicContact CE1-CG 3.97Å; A391-L394 WeakPolarHBondContact O-CB 3.09Å; A391-L394 PolarHBondContact O-N 3.01Å; V392-L394 PolarHBondContact O-N 3.33Å
395S88.7Confident86.7Confident2 Ų240.3 Ų40.31%0.01419%0.19CC..  trans-84.8130.2179.7170.70000111.4Y362 D364 V392 V397 S398 E399Y362-S395 WeakPolarHBondContact CD1-OG 3.3Å; D364-S395 WeakPolarHBondContact OD1-CB 3.18Å; D364-S395 PolarHBondContact OD1-OG 3.16Å; D364-S395 WeakPolarHBondContact OD2-CA 3.44Å; D364-S395 PolarHBondContact OD2-OG 2.83Å; V392-S395 PolarHBondContact O-N 3.09Å; S395-V397 PolarHBondContact OG-N 2.56Å; S395-S398 PolarHBondContact OG-N 2.86Å; S395-S398 VanDerWaalsContact OG-N 3.11Å; S395-E399 PolarHBondContact O-N 3.19Å
396E85.4Confident86.7Confident130 Ų13036.5 Ų36.561%0.60717%0.17SC*.Hα-helixtrans-73.3-33.8172.7-65.3-173.5171.600111D364 E399 N400D364-E396 PolarHBondContact OD2-N 3.39Å; E396-E399 PolarHBondContact O-N 3.5Å; E396-N400 PolarHBondContact O-N 2.98Å; E396-N400 PolarHBondContact O-ND2 3.37Å
397V84.8Confident86.6Confident69 Ų6935.4 Ų35.442%0.41817%0.167SC..Hα-helixtrans-62.4-44.3174.6176.10000110.7Y362 D364 S395 E399 N400 K401Y362-V397 HydrophobicContact CD1-CB 4.31Å; Y362-V397 HydrophobicContact CD1-CG1 4.34Å; Y362-V397 HydrophobicContact CE1-CG1 4.23Å; D364-V397 HydrophobicContact CB-CG2 4.32Å; D364-V397 PolarHBondContact OD2-N 2.83Å; S395-V397 PolarHBondContact OG-N 2.56Å; V397-E399 VanDerWaalsContact C-N 3.34Å; V397-E399 PolarHBondContact O-N 3.46Å; V397-N400 PolarHBondContact O-N 3.18Å; V397-K401 PolarHBondContact O-N 3.02Å
398S86.6Confident86.6Confident0 Ų036.7 Ų36.70%017%0.173CC..Hα-helixtrans-61.9-41.7175-171.40000111.8W168 V392 S395 N400 K401 L402W168-S398 WeakPolarHBondContact CZ2-O 3.27Å; W168-S398 PolarHBondContact NE1-OG 2.9Å; V392-S398 VanDerWaalsContact CG1-OG 3.28Å; V392-S398 WeakPolarHBondContact CG1-OG 3.4Å; V392-S398 WeakPolarHBondContact O-CB 3.34Å; S395-S398 PolarHBondContact OG-N 2.86Å; S395-S398 VanDerWaalsContact OG-N 3.11Å; S398-N400 PolarHBondContact O-N 2.85Å; S398-K401 PolarHBondContact O-N 3.28Å; S398-L402 PolarHBondContact O-N 3.27Å
399E87.9Confident86.6Confident14 Ų1436 Ų367%0.06517%0.172CC..Hα-helixtrans-62.9-41.3176.1-171.9-177.7173.600112.3F244 K248 S395 E396 V397 L402 R403F244-E399 HydrophobicContact CD1-CB 3.97Å; F244-E399 HydrophobicContact CD1-CG 4.19Å; F244-E399 HydrophobicContact CE1-CB 3.82Å; F244-E399 HydrophobicContact CE1-CG 4.48Å; F244-E399 HydrophobicContact CG-CB 4.42Å; F244-E399 HydrophobicContact CG-CG 4.21Å; F244-E399 HydrophobicContact CZ-CB 4.19Å; K248-E399 VanDerWaalsContact CE-OE2 3.26Å; K248-E399 WeakPolarHBondContact CE-OE2 3.32Å; K248-E399 IonicContact NZ-OE1 3.77Å; K248-E399 IonicContact NZ-OE2 3.18Å; K248-E399 PolarHBondContact NZ-OE2 3.42Å; S395-E399 PolarHBondContact O-N 3.19Å; E396-E399 PolarHBondContact O-N 3.5Å; V397-E399 VanDerWaalsContact C-N 3.34Å; V397-E399 PolarHBondContact O-N 3.46Å; E399-L402 WeakPolarHBondContact O-CB 3.32Å; E399-L402 PolarHBondContact O-N 3.22Å; E399-R403 WeakPolarHBondContact O-CG 3.46Å; E399-R403 PolarHBondContact O-N 2.93Å; E399-R403 IonicContact OE1-CZ 3.21Å; E399-R403 IonicContact OE1-NE 3.25Å; E399-R403 PolarHBondContact OE1-NE 2.92Å; E399-R403 IonicContact OE1-NH2 2.74Å; E399-R403 PolarHBondContact OE1-NH2 3.44Å
400N83.9Confident86.4Confident89 Ų8936.5 Ų36.548%0.47618%0.178SC..Hα-helixtrans-65.5-41.5177.2-72.7-21.3000111.8E396 V397 S398 L402 R403 Q404E396-N400 PolarHBondContact O-N 2.98Å; E396-N400 PolarHBondContact O-ND2 3.37Å; V397-N400 PolarHBondContact O-N 3.18Å; S398-N400 PolarHBondContact O-N 2.85Å; N400-L402 VanDerWaalsContact C-N 3.33Å; N400-L402 PolarHBondContact O-N 2.91Å; N400-R403 PolarHBondContact O-N 3.45Å; N400-Q404 PolarHBondContact O-N 3.47Å
401K83.7Confident86.3Confident65 Ų6537.3 Ų37.328%0.28318%0.181SC..Hα-helixtrans-58.5-44.2171.9-76.2-173173.5-171.20111.6W168 E175 V397 S398 Q404 L405W168-K401 HydrophobicContact CH2-CB 4.24Å; W168-K401 HydrophobicContact CZ2-CB 4.43Å; E175-K401 IonicContact OE2-NZ 3.98Å; V397-K401 PolarHBondContact O-N 3.02Å; S398-K401 PolarHBondContact O-N 3.28Å; K401-Q404 PolarHBondContact O-N 3.32Å; K401-L405 PolarHBondContact O-N 3.48Å; K401-L405 VanDerWaalsContact O-N 3.07Å
402L87.2Confident86.5Confident2 Ų240.5 Ų40.51%0.0120%0.2CC..Hα-helixtrans-62.8-44176.2179.764.1000111.9W168 L232 A240 K241 F244 S398 E399 N400 Q404 L405 N406W168-L402 HydrophobicContact CD2-CD1 3.87Å; W168-L402 HydrophobicContact CE3-CD1 3.75Å; W168-L402 HydrophobicContact CH2-CB 3.9Å; W168-L402 HydrophobicContact CH2-CD1 4.22Å; W168-L402 HydrophobicContact CZ2-CB 3.61Å; W168-L402 HydrophobicContact CZ2-CD1 4.34Å; W168-L402 HydrophobicContact CZ3-CB 4.48Å; W168-L402 HydrophobicContact CZ3-CD1 3.93Å; L232-L402 HydrophobicContact CD2-CD1 3.92Å; A240-L402 HydrophobicContact CB-CD1 4.21Å; A240-L402 HydrophobicContact CB-CD2 3.54Å; K241-L402 HydrophobicContact CB-CD2 4.41Å; F244-L402 HydrophobicContact CD2-CD2 3.78Å; F244-L402 HydrophobicContact CE2-CD2 3.63Å; S398-L402 PolarHBondContact O-N 3.27Å; E399-L402 WeakPolarHBondContact O-CB 3.32Å; E399-L402 PolarHBondContact O-N 3.22Å; N400-L402 VanDerWaalsContact C-N 3.33Å; N400-L402 PolarHBondContact O-N 2.91Å; L402-Q404 VanDerWaalsContact C-N 3.32Å; L402-Q404 PolarHBondContact O-N 3.46Å; L402-L405 PolarHBondContact O-N 3.47Å; L402-N406 WeakPolarHBondContact O-CB 3.48Å; L402-N406 PolarHBondContact O-N 3.31Å
403R85.3Confident86.5Confident108 Ų10843.6 Ų43.641%0.40822%0.216SC..Hα-helixtrans-60.8-41.6177.6-74.5174.8-177.9-166.11.7111.6E399 N400 N406 L407E399-R403 WeakPolarHBondContact O-CG 3.46Å; E399-R403 PolarHBondContact O-N 2.93Å; E399-R403 IonicContact OE1-CZ 3.21Å; E399-R403 IonicContact OE1-NE 3.25Å; E399-R403 PolarHBondContact OE1-NE 2.92Å; E399-R403 IonicContact OE1-NH2 2.74Å; E399-R403 PolarHBondContact OE1-NH2 3.44Å; N400-R403 PolarHBondContact O-N 3.45Å; R403-N406 PolarHBondContact O-N 3.29Å; R403-L407 VanDerWaalsContact O-CB 3.29Å; R403-L407 WeakPolarHBondContact O-CB 3.43Å; R403-L407 PolarHBondContact O-N 3.37Å
404Q84.3Confident86.6Confident53 Ų5350.6 Ų50.625%0.24825%0.249CC..Hα-helixtrans-63.1-45.6176.3-176.664.513.200111.7N400 K401 L402 L407 N408 I438 D440N400-Q404 PolarHBondContact O-N 3.47Å; K401-Q404 PolarHBondContact O-N 3.32Å; L402-Q404 VanDerWaalsContact C-N 3.32Å; L402-Q404 PolarHBondContact O-N 3.46Å; Q404-L407 WeakPolarHBondContact O-CB 3.33Å; Q404-L407 PolarHBondContact O-N 3.46Å; Q404-N408 VanDerWaalsContact O-CG 3.29Å; Q404-N408 PolarHBondContact O-N 2.97Å; Q404-I438 PolarHBondContact NE2-O 3.2Å; Q404-D440 PolarHBondContact NE2-OD2 2.98Å
405L84.6Confident86.8Confident40 Ų4053.1 Ų53.121%0.20926%0.259CS..Hα-helixtrans-63.8-42.8176.7-74.1167.3000112.5W168 K401 L402 L407 N408 N409W168-L405 HydrophobicContact CH2-CD1 3.77Å; W168-L405 HydrophobicContact CZ3-CD1 3.48Å; W168-L405 VanDerWaalsContact CZ3-CD1 3.48Å; K401-L405 PolarHBondContact O-N 3.48Å; K401-L405 VanDerWaalsContact O-N 3.07Å; L402-L405 PolarHBondContact O-N 3.47Å; L405-L407 VanDerWaalsContact C-N 3.3Å; L405-L407 PolarHBondContact O-N 3.25Å; L405-N408 PolarHBondContact O-N 3.22Å; L405-N409 PolarHBondContact O-N 3.3Å
406N86.3Confident86.9Confident12 Ų1253 Ų536%0.06426%0.258CS..Hα-helixtrans-62.1-40.6174.4-75.7-12.1000111.2G237 L402 R403 N409 E410G237-N406 VanDerWaalsContact CA-OD1 3.28Å; G237-N406 WeakPolarHBondContact CA-OD1 3.19Å; G237-N406 PolarHBondContact O-ND2 2.81Å; L402-N406 WeakPolarHBondContact O-CB 3.48Å; L402-N406 PolarHBondContact O-N 3.31Å; R403-N406 PolarHBondContact O-N 3.29Å; N406-N409 PolarHBondContact O-N 2.88Å; N406-E410 WeakPolarHBondContact O-CG 3.34Å; N406-E410 PolarHBondContact O-N 2.96Å
407L87.5Confident87.2Confident9 Ų954 Ų545%0.04726%0.256CS..Hα-helixtrans-60.2-46.4175.7-171.373.4000111R403 Q404 L405 N409 E410 W411 L435 G437 P439R403-L407 VanDerWaalsContact O-CB 3.29Å; R403-L407 WeakPolarHBondContact O-CB 3.43Å; R403-L407 PolarHBondContact O-N 3.37Å; Q404-L407 WeakPolarHBondContact O-CB 3.33Å; Q404-L407 PolarHBondContact O-N 3.46Å; L405-L407 VanDerWaalsContact C-N 3.3Å; L405-L407 PolarHBondContact O-N 3.25Å; L407-N409 VanDerWaalsContact C-N 3.34Å; L407-N409 PolarHBondContact O-N 2.98Å; L407-E410 PolarHBondContact O-N 3.36Å; L407-W411 VanDerWaalsContact CD1-CD1 3.46Å; L407-W411 WeakPolarHBondContact O-CB 3.2Å; L407-W411 VanDerWaalsContact O-CD1 3.26Å; L407-W411 PolarHBondContact O-N 3.46Å; L407-L435 HydrophobicContact CD1-CB 4.42Å; L407-L435 HydrophobicContact CD1-CD2 4.37Å; L407-G437 VanDerWaalsContact CD2-C 3.49Å; L407-G437 WeakPolarHBondContact CD2-O 3.27Å; L407-P439 HydrophobicContact CD1-CG 4.48Å; L407-P439 HydrophobicContact CD2-CB 4.32Å; L407-P439 HydrophobicContact CD2-CG 3.88Å; L407-P439 HydrophobicContact CG-CB 4.25Å; L407-P439 HydrophobicContact CG-CG 3.92Å
408N86Confident87.5Confident29 Ų2958.6 Ų58.616%0.15527%0.273CS..Hα-helixtrans-61.1-40.6176.6-68-16.3000112.3Q404 L405 P439 D440Q404-N408 VanDerWaalsContact O-CG 3.29Å; Q404-N408 PolarHBondContact O-N 2.97Å; L405-N408 PolarHBondContact O-N 3.22Å; N408-P439 WeakPolarHBondContact OD1-CA 3.3Å; N408-D440 PolarHBondContact ND2-OD2 2.87Å; N408-D440 PolarHBondContact OD1-N 3.17Å
409N85.6Confident87.7Confident47 Ų4764.8 Ų64.825%0.25130%0.297SS..Hα-helixtrans-66.8-35176.3-75.9-15.8000112.8V231 L232 L405 N406 L407V231-N409 WeakPolarHBondContact CG1-OD1 3.39Å; L232-N409 PolarHBondContact O-ND2 3.48Å; L405-N409 PolarHBondContact O-N 3.3Å; N406-N409 PolarHBondContact O-N 2.88Å; L407-N409 VanDerWaalsContact C-N 3.34Å; L407-N409 PolarHBondContact O-N 2.98Å
410E85.8Confident87.9Confident75 Ų7565.6 Ų65.635%0.3530%0.301SS..Hα-helixtrans-80.9-24.8179.2-73.5-161.6150.900114.3N406 L407 K415N406-E410 WeakPolarHBondContact O-CG 3.34Å; N406-E410 PolarHBondContact O-N 2.96Å; L407-E410 PolarHBondContact O-N 3.36Å; E410-K415 VanDerWaalsContact O-CD 3.32Å; E410-K415 WeakPolarHBondContact O-CD 3.27Å; E410-K415 PolarHBondContact O-NZ 3.4Å
411W88.4Confident88.4Confident18 Ų1864.8 Ų64.87%0.06830%0.3CS..SBendtrans-111.173.8-176.6-71.692.5000110.2L407 K415 L416 L435 P439 T441L407-W411 VanDerWaalsContact CD1-CD1 3.46Å; L407-W411 WeakPolarHBondContact O-CB 3.2Å; L407-W411 VanDerWaalsContact O-CD1 3.26Å; L407-W411 PolarHBondContact O-N 3.46Å; W411-K415 HydrophobicContact CE3-CD 4.2Å; W411-K415 HydrophobicContact CE3-CG 4.29Å; W411-K415 HydrophobicContact CZ3-CG 4.4Å; W411-L416 HydrophobicContact CE3-CD2 3.6Å; W411-L416 HydrophobicContact CE3-CG 4.31Å; W411-L416 HydrophobicContact CZ3-CD2 4.14Å; W411-L435 HydrophobicContact CZ2-CD1 4.45Å; W411-L435 HydrophobicContact CZ2-CD2 3.59Å; W411-P439 HydrophobicContact CB-CB 3.82Å; W411-P439 HydrophobicContact CB-CG 3.88Å; W411-P439 HydrophobicContact CG-CB 4.39Å; W411-P439 HydrophobicContact CG-CG 3.93Å; W411-T441 WeakPolarHBondContact O-CB 3.3Å; W411-T441 WeakPolarHBondContact O-CG2 3.39Å; W411-T441 PolarHBondContact O-OG1 3.01Å
412T89.8Confident88.8Confident66 Ų6668 Ų6841%0.40531%0.314SS..  trans-72.6160.2173.863.30000111.7E414 K415 L416T412-E414 VanDerWaalsContact C-N 3.26Å; T412-E414 PolarHBondContact O-N 3.36Å; T412-K415 PolarHBondContact O-N 2.91Å; T412-K415 VanDerWaalsContact O-N 3.14Å; T412-L416 PolarHBondContact O-N 3.21Å
413L89.2Confident88.9Confident68 Ų6869.3 Ų69.336%0.35632%0.321SS..Hα-helixtrans-50.9-42.6176-81.7173.4000113.5K415 L416 R417 T441 D444 L445L413-K415 PolarHBondContact O-N 3.45Å; L413-L416 PolarHBondContact O-N 3.41Å; L413-R417 WeakPolarHBondContact O-CG 3.48Å; L413-R417 PolarHBondContact O-N 3.14Å; L413-T441 WeakPolarHBondContact CD2-O 3.24Å; L413-D444 HydrophobicContact CD1-CB 4.41Å; L413-D444 HydrophobicContact CD2-CB 3.7Å; L413-D444 HydrophobicContact CG-CB 4.49Å; L413-L445 HydrophobicContact CD2-CD2 3.84Å; L413-L445 HydrophobicContact CD2-CG 4.26Å
414E89.4Confident89Confident149 Ų14970.4 Ų70.470%0.69635%0.345SS*.Hα-helixtrans-62.6-44.4179.8-66178.4176.400112T412 L416 R417 Q418T412-E414 VanDerWaalsContact C-N 3.26Å; T412-E414 PolarHBondContact O-N 3.36Å; E414-L416 VanDerWaalsContact C-N 3.33Å; E414-L416 PolarHBondContact O-N 2.97Å; E414-R417 PolarHBondContact O-N 3.24Å; E414-Q418 WeakPolarHBondContact O-CG 3.49Å; E414-Q418 PolarHBondContact O-N 3.47Å; E414-Q418 VanDerWaalsContact O-N 3.17Å
415K91.6Very high89.2Confident70 Ų7073.5 Ų73.530%0.30436%0.359SS..Hα-helixtrans-67.4-35.5178.7-176.9177.1170.5-171.90111.8E410 W411 T412 L413E410-K415 VanDerWaalsContact O-CD 3.32Å; E410-K415 WeakPolarHBondContact O-CD 3.27Å; E410-K415 PolarHBondContact O-NZ 3.4Å; W411-K415 HydrophobicContact CE3-CD 4.2Å; W411-K415 HydrophobicContact CE3-CG 4.29Å; W411-K415 HydrophobicContact CZ3-CG 4.4Å; T412-K415 PolarHBondContact O-N 2.91Å; T412-K415 VanDerWaalsContact O-N 3.14Å; L413-K415 PolarHBondContact O-N 3.45Å
416L92.1Very high89.5Confident0 Ų076.6 Ų76.60%038%0.376CS..Hα-helixtrans-68.1-44.3174.5-69.1171000111.5W411 T412 L413 E414 Q418 R419 I420 L430 L432 T441 V442 L445W411-L416 HydrophobicContact CE3-CD2 3.6Å; W411-L416 HydrophobicContact CE3-CG 4.31Å; W411-L416 HydrophobicContact CZ3-CD2 4.14Å; T412-L416 PolarHBondContact O-N 3.21Å; L413-L416 PolarHBondContact O-N 3.41Å; E414-L416 VanDerWaalsContact C-N 3.33Å; E414-L416 PolarHBondContact O-N 2.97Å; L416-Q418 VanDerWaalsContact C-N 3.26Å; L416-Q418 PolarHBondContact O-N 3.29Å; L416-R419 WeakPolarHBondContact O-CA 3.32Å; L416-R419 PolarHBondContact O-N 2.91Å; L416-I420 PolarHBondContact O-N 3.07Å; L416-L430 HydrophobicContact CD2-CD1 4.46Å; L416-L430 HydrophobicContact CD2-CD2 4.31Å; L416-L432 HydrophobicContact CD2-CD2 4.17Å; L416-T441 WeakPolarHBondContact CD1-OG1 3.49Å; L416-V442 HydrophobicContact CD1-CB 4.45Å; L416-V442 HydrophobicContact CD1-CG2 3.75Å; L416-V442 HydrophobicContact CD2-CG2 3.96Å; L416-L445 HydrophobicContact CB-CD1 3.91Å; L416-L445 HydrophobicContact CD1-CD1 4.24Å
417R91.5Very high89.7Confident150 Ų15078.3 Ų78.357%0.56638%0.383SS*.Hα-helixtrans-58.1-36.6177.1-77-178.2179.1-141.8-2.2113L413 E414 R419 I420 L445L413-R417 WeakPolarHBondContact O-CG 3.48Å; L413-R417 PolarHBondContact O-N 3.14Å; E414-R417 PolarHBondContact O-N 3.24Å; R417-R419 PolarHBondContact O-N 3.33Å; R417-I420 HydrophobicContact CG-CD1 4.3Å; R417-I420 PolarHBondContact O-N 2.75Å; R417-L445 HydrophobicContact CG-CD2 3.96Å
418Q91.1Very high90Very high167 Ų16780 Ų8078%0.7839%0.392SS*.THydrogen-bonded Turntrans-63.7-20.9174.4-71.8175.80.300114E414 L416E414-Q418 WeakPolarHBondContact O-CG 3.49Å; E414-Q418 PolarHBondContact O-N 3.47Å; E414-Q418 VanDerWaalsContact O-N 3.17Å; L416-Q418 VanDerWaalsContact C-N 3.26Å; L416-Q418 PolarHBondContact O-N 3.29Å
419R90.7Very high90.4Very high129 Ų12979.9 Ų79.949%0.48739%0.391SS..THydrogen-bonded Turntrans-101.2-2179.6-66.1-162.4178.9-156.8-1.2113.9L416 R417 T421 L430L416-R419 WeakPolarHBondContact O-CA 3.32Å; L416-R419 PolarHBondContact O-N 2.91Å; R417-R419 PolarHBondContact O-N 3.33Å; R419-T421 PolarHBondContact O-N 3.05Å; R419-L430 HydrophobicContact CB-CD1 4.16Å
420I92.8Very high90.8Very high31 Ų3177.7 Ų77.716%0.15938%0.379CS..  trans-70.3129.7172.7-61.4175.1000107.8L416 R417 L428 E429 L430 L445L416-I420 PolarHBondContact O-N 3.07Å; R417-I420 HydrophobicContact CG-CD1 4.3Å; R417-I420 PolarHBondContact O-N 2.75Å; I420-L428 HydrophobicContact CG2-CB 4.19Å; I420-L428 HydrophobicContact CG2-CD2 3.85Å; I420-E429 WeakPolarHBondContact CA-O 3.39Å; I420-L430 HydrophobicContact CG1-CD1 4.37Å; I420-L445 HydrophobicContact CD1-CD1 4.23Å; I420-L445 HydrophobicContact CD1-CD2 4.27Å
421T93Very high91.3Very high73 Ų7377.4 Ų77.445%0.44838%0.377SS..EExtended strand (participates in β ladder)trans-125.5155.6177.4590000109.8R419 E429R419-T421 PolarHBondContact O-N 3.05Å; T421-E429 PolarHBondContact N-O 3.13Å; T421-E429 WeakPolarHBondContact O-CG 3.35Å; T421-E429 PolarHBondContact O-N 2.99Å; T421-E429 VanDerWaalsContact OG1-CG 3.3Å; T421-E429 WeakPolarHBondContact OG1-CG 3.25Å
422K91.8Very high91.5Very high133 Ų13376.6 Ų76.658%0.57837%0.374SS*.EExtended strand (participates in β ladder)trans-92.4126.2171.2-78.4176.2156-132.40108.9D426 K427 L428K422-D426 WeakPolarHBondContact CD-OD1 3.49Å; K422-D426 WeakPolarHBondContact CE-OD1 3.38Å; K422-D426 IonicContact NZ-OD1 3.64Å; K422-D426 PolarHBondContact NZ-OD1 3.13Å; K422-D426 IonicContact NZ-OD2 2.63Å; K422-K427 WeakPolarHBondContact CA-O 3.29Å; K422-L428 HydrophobicContact CG-CD2 3.79Å
423N89.3Confident91.7Very high28 Ų2878.5 Ų78.515%0.1538%0.377CS..  trans-79176178.577.97.7000111.5Q425 D426 K427 E429N423-Q425 PolarHBondContact O-N 3.14Å; N423-Q425 VanDerWaalsContact O-N 3.1Å; N423-Q425 VanDerWaalsContact OD1-C 3.26Å; N423-Q425 VanDerWaalsContact OD1-CA 3.29Å; N423-Q425 WeakPolarHBondContact OD1-CA 3.28Å; N423-Q425 WeakPolarHBondContact OD1-CB 3.45Å; N423-Q425 PolarHBondContact OD1-N 3.11Å; N423-D426 WeakPolarHBondContact O-CA 3.34Å; N423-D426 PolarHBondContact O-N 3.02Å; N423-D426 PolarHBondContact OD1-N 2.99Å; N423-D426 VanDerWaalsContact OD1-N 3.13Å; N423-K427 PolarHBondContact N-O 2.78Å; N423-K427 PolarHBondContact OD1-N 3.01Å; N423-E429 HydrophobicContact CB-CG 4.2Å; N423-E429 WeakPolarHBondContact CB-OE2 3.33Å
424S88.8Confident91.7Very high132 Ų13281 Ų8192%0.92339%0.388SS*.THydrogen-bonded Turntrans-65.5-11.6179.360.60000114.4
425Q88.8Confident91.7Very high117 Ų11774.8 Ų74.855%0.54736%0.36SS..THydrogen-bonded Turntrans-98.511.3173.3-58.9-179.9-10.600111.9N423 K427N423-Q425 PolarHBondContact O-N 3.14Å; N423-Q425 VanDerWaalsContact O-N 3.1Å; N423-Q425 VanDerWaalsContact OD1-C 3.26Å; N423-Q425 VanDerWaalsContact OD1-CA 3.29Å; N423-Q425 WeakPolarHBondContact OD1-CA 3.28Å; N423-Q425 WeakPolarHBondContact OD1-CB 3.45Å; N423-Q425 PolarHBondContact OD1-N 3.11Å; Q425-K427 HydrophobicContact CB-CD 4.48Å; Q425-K427 HydrophobicContact CB-CG 4.22Å; Q425-K427 PolarHBondContact O-N 3.12Å
426D89.9Confident91.4Very high106 Ų10674.6 Ų74.657%0.56737%0.367SS*.SBendtrans6020.6-176.1-156.725.8000115.1K422 N423K422-D426 WeakPolarHBondContact CD-OD1 3.49Å; K422-D426 WeakPolarHBondContact CE-OD1 3.38Å; K422-D426 IonicContact NZ-OD1 3.64Å; K422-D426 PolarHBondContact NZ-OD1 3.13Å; K422-D426 IonicContact NZ-OD2 2.63Å; N423-D426 WeakPolarHBondContact O-CA 3.34Å; N423-D426 PolarHBondContact O-N 3.02Å; N423-D426 PolarHBondContact OD1-N 2.99Å; N423-D426 VanDerWaalsContact OD1-N 3.13Å
427K90.4Very high91.2Very high47 Ų4775 Ų7520%0.20437%0.372CS..  trans-85.7142.9173.9-52.8-179.3172.4150.20110.5K422 N423 Q425 E429 E449 V450 E473K422-K427 WeakPolarHBondContact CA-O 3.29Å; N423-K427 PolarHBondContact N-O 2.78Å; N423-K427 PolarHBondContact OD1-N 3.01Å; Q425-K427 HydrophobicContact CB-CD 4.48Å; Q425-K427 HydrophobicContact CB-CG 4.22Å; Q425-K427 PolarHBondContact O-N 3.12Å; K427-E429 PolarHBondContact O-N 3.01Å; K427-E449 HydrophobicContact CB-CB 4.21Å; K427-E449 WeakPolarHBondContact CB-OE2 3.44Å; K427-E449 VanDerWaalsContact CG-OE2 3.28Å; K427-E449 WeakPolarHBondContact CG-OE2 3.41Å; K427-V450 HydrophobicContact CB-CG2 3.9Å; K427-V450 HydrophobicContact CD-CG2 4.02Å; K427-E473 IonicContact NZ-OE1 3.52Å; K427-E473 PolarHBondContact NZ-OE1 3.2Å
428L93.7Very high91.1Very high45 Ų4568.2 Ų68.224%0.23635%0.347CS..EExtended strand (participates in β ladder)trans-74.4116.8173.9-68171.1000109.9I420 K422 E447 E449 V450I420-L428 HydrophobicContact CG2-CB 4.19Å; I420-L428 HydrophobicContact CG2-CD2 3.85Å; K422-L428 HydrophobicContact CG-CD2 3.79Å; L428-E447 HydrophobicContact CD1-CB 4.15Å; L428-E447 HydrophobicContact CD1-CG 4.21Å; L428-E447 WeakPolarHBondContact CD1-O 3.32Å; L428-E449 PolarHBondContact O-N 3.01Å; L428-E449 VanDerWaalsContact O-N 3.14Å; L428-V450 PolarHBondContact O-N 2.77Å
429E94.4Very high91.1Very high27 Ų2760.3 Ų60.313%0.12631%0.309CS..EExtended strand (participates in β ladder)trans-118.1141.9-179.773.3171.4-133.300113I420 T421 N423 K427 V450 K452I420-E429 WeakPolarHBondContact CA-O 3.39Å; T421-E429 PolarHBondContact N-O 3.13Å; T421-E429 WeakPolarHBondContact O-CG 3.35Å; T421-E429 PolarHBondContact O-N 2.99Å; T421-E429 VanDerWaalsContact OG1-CG 3.3Å; T421-E429 WeakPolarHBondContact OG1-CG 3.25Å; N423-E429 HydrophobicContact CB-CG 4.2Å; N423-E429 WeakPolarHBondContact CB-OE2 3.33Å; K427-E429 PolarHBondContact O-N 3.01Å; E429-V450 WeakPolarHBondContact CA-O 3.4Å; E429-V450 HydrophobicContact CB-CB 3.72Å; E429-V450 HydrophobicContact CB-CG1 3.98Å; E429-V450 HydrophobicContact CB-CG2 4.49Å; E429-K452 IonicContact OE1-NZ 3.92Å; E429-K452 PolarHBondContact OE1-NZ 2.75Å; E429-K452 VanDerWaalsContact OE2-CE 3.23Å; E429-K452 WeakPolarHBondContact OE2-CE 3.32Å; E429-K452 IonicContact OE2-NZ 3.85Å; E429-K452 PolarHBondContact OE2-NZ 3.11Å
430L95.4Very high90.9Very high0 Ų056.9 Ų56.90%030%0.301CS..EExtended strand (participates in β ladder)trans-122.3123.6172.8178.968.2000108.6L416 R419 I420 L432 V442 L445 L448 V450 L451 K452L416-L430 HydrophobicContact CD2-CD1 4.46Å; L416-L430 HydrophobicContact CD2-CD2 4.31Å; R419-L430 HydrophobicContact CB-CD1 4.16Å; I420-L430 HydrophobicContact CG1-CD1 4.37Å; L430-L432 HydrophobicContact CD1-CD2 4.35Å; L430-L432 HydrophobicContact CD2-CD2 4.19Å; L430-L432 HydrophobicContact CD2-CG 4.43Å; L430-L432 HydrophobicContact CG-CD2 4.13Å; L430-L432 HydrophobicContact CG-CG 4.37Å; L430-V442 HydrophobicContact CD2-CB 4.49Å; L430-V442 HydrophobicContact CD2-CG1 3.69Å; L430-V442 HydrophobicContact CD2-CG2 4.16Å; L430-L445 HydrophobicContact CD2-CD1 3.92Å; L430-L448 HydrophobicContact CB-CD1 3.56Å; L430-L448 HydrophobicContact CB-CD2 3.88Å; L430-L448 HydrophobicContact CB-CG 4.39Å; L430-L448 HydrophobicContact CD2-CD2 4.26Å; L430-V450 PolarHBondContact N-O 3.5Å; L430-L451 HydrophobicContact CD2-CD1 4.29Å; L430-K452 PolarHBondContact O-N 2.89Å
431H94.8Very high90.7Very high70 Ų7056.7 Ų56.732%0.32430%0.301SS..EExtended strand (participates in β ladder)trans-110.4117.8177.8-176.3-151.7000111.3K452 E454H431-K452 HydrophobicContact CB-CB 4.25Å; H431-E454 IonicContact CE1-OE2 3.58Å; H431-E454 PolarHBondContact CE1-OE2 2.92Å; H431-E454 VanDerWaalsContact CE1-OE2 3.25Å; H431-E454 WeakPolarHBondContact NE2-CB 3.48Å; H431-E454 IonicContact NE2-OE2 2.87Å; H431-E454 PolarHBondContact NE2-OE2 2.86Å
432L93.6Very high90.6Very high1 Ų153.2 Ų53.21%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-107.1122.2175.6-56.6-179.8000109.5L416 L430 L435 V442 L451 K452 L453 E454 I456L416-L432 HydrophobicContact CD2-CD2 4.17Å; L430-L432 HydrophobicContact CD1-CD2 4.35Å; L430-L432 HydrophobicContact CD2-CD2 4.19Å; L430-L432 HydrophobicContact CD2-CG 4.43Å; L430-L432 HydrophobicContact CG-CD2 4.13Å; L430-L432 HydrophobicContact CG-CG 4.37Å; L432-L435 HydrophobicContact CB-CD1 3.98Å; L432-L435 HydrophobicContact CD1-CD1 4.34Å; L432-L435 HydrophobicContact CD2-CD1 4.13Å; L432-L435 HydrophobicContact CG-CD1 4.37Å; L432-V442 HydrophobicContact CD1-CG2 3.84Å; L432-L451 HydrophobicContact CD1-CD1 4.37Å; L432-K452 PolarHBondContact N-O 3.37Å; L432-L453 HydrophobicContact CB-CD2 4.22Å; L432-L453 HydrophobicContact CD1-CD2 3.9Å; L432-L453 HydrophobicContact CG-CD2 4.43Å; L432-E454 PolarHBondContact O-N 3.26Å; L432-I456 HydrophobicContact CB-CD1 4.06Å
433F93.1Very high90.6Very high105 Ų10546.9 Ų46.946%0.46125%0.252SS..EExtended strand (participates in β ladder)trans-128.5130.9-172.7177.9-103.2000110.6L435 E454 L455F433-L435 VanDerWaalsContact C-N 3.31Å; F433-L435 PolarHBondContact O-N 2.86Å; F433-E454 WeakPolarHBondContact CA-O 3.31Å; F433-E454 HydrophobicContact CD2-CB 3.89Å; F433-E454 HydrophobicContact CD2-CG 3.61Å; F433-E454 WeakPolarHBondContact CD2-OE2 3.33Å; F433-E454 HydrophobicContact CE2-CG 3.87Å; F433-L455 HydrophobicContact CE2-CD1 3.76Å; F433-L455 HydrophobicContact CZ-CD1 4.14Å
434M89Confident90.7Very high121 Ų12149.2 Ų49.260%0.59627%0.265SS*.SBendtrans56.438.8173.2-69.4-75.7-66.500114.2E454 L455M434-E454 PolarHBondContact N-O 3.21Å; M434-L455 HydrophobicContact CG-CB 4.24Å; M434-L455 HydrophobicContact CG-CD1 4.27Å; M434-L455 HydrophobicContact SD-CB 3.63Å; M434-L455 HydrophobicContact SD-CD1 3.68Å; M434-L455 HydrophobicContact SD-CG 4.28Å
435L89.5Confident90.8Very high19 Ų1943 Ų4310%0.09922%0.221CC..  trans-90.2154.9172.4-57.8-174.5000110.6L407 W411 L432 F433 G437 P439 I456 P457L407-L435 HydrophobicContact CD1-CB 4.42Å; L407-L435 HydrophobicContact CD1-CD2 4.37Å; W411-L435 HydrophobicContact CZ2-CD1 4.45Å; W411-L435 HydrophobicContact CZ2-CD2 3.59Å; L432-L435 HydrophobicContact CB-CD1 3.98Å; L432-L435 HydrophobicContact CD1-CD1 4.34Å; L432-L435 HydrophobicContact CD2-CD1 4.13Å; L432-L435 HydrophobicContact CG-CD1 4.37Å; F433-L435 VanDerWaalsContact C-N 3.31Å; F433-L435 PolarHBondContact O-N 2.86Å; L435-G437 VanDerWaalsContact CB-O 3.29Å; L435-G437 WeakPolarHBondContact CB-O 3.41Å; L435-G437 PolarHBondContact O-N 3.17Å; L435-P439 HydrophobicContact CD1-CG 3.95Å; L435-I456 HydrophobicContact CB-CD1 4.4Å; L435-I456 HydrophobicContact CB-CG1 4.42Å; L435-P457 VanDerWaalsContact O-CD 3.28Å; L435-P457 WeakPolarHBondContact O-CD 3.38Å
436S85.4Confident90.9Very high65 Ų6542.1 Ų42.146%0.45522%0.219SC..SBendtrans-75.1-10.8175.355.80000113.9
437G88.1Confident91Very high9 Ų941.3 Ų41.39%0.09321%0.212CC..SBendtrans-172.7-173.6-177.600000110.3L407 L435L407-G437 VanDerWaalsContact CD2-C 3.49Å; L407-G437 WeakPolarHBondContact CD2-O 3.27Å; L435-G437 VanDerWaalsContact CB-O 3.29Å; L435-G437 WeakPolarHBondContact CB-O 3.41Å; L435-G437 PolarHBondContact O-N 3.17Å
438I89.4Confident91.1Very high8 Ų839 Ų394%0.04120%0.202CC..  trans-96.1122.2172.4-57.3178.7000108.3Q404 D440 F443 L453 V459 I461Q404-I438 PolarHBondContact NE2-O 3.2Å; I438-D440 PolarHBondContact O-N 2.91Å; I438-F443 HydrophobicContact CG2-CE2 3.87Å; I438-F443 HydrophobicContact CG2-CZ 3.67Å; I438-L453 HydrophobicContact CD1-CD1 3.65Å; I438-L453 HydrophobicContact CD1-CD2 4.41Å; I438-L453 HydrophobicContact CG1-CD1 4.34Å; I438-L453 HydrophobicContact CG1-CD2 4.43Å; I438-V459 HydrophobicContact CD1-CG1 3.42Å; I438-V459 VanDerWaalsContact CD1-CG1 3.42Å; I438-V459 HydrophobicContact CG1-CG1 4.09Å; I438-V459 HydrophobicContact CG1-CG2 4.38Å; I438-I461 HydrophobicContact CD1-CG1 4.4Å
439P90.8Very high91.2Very high0 Ų040 Ų400%021%0.206CC..  trans-64.5132.3173-10.322.2000110.9L407 N408 W411 L435 T441 V442L407-P439 HydrophobicContact CD1-CG 4.48Å; L407-P439 HydrophobicContact CD2-CB 4.32Å; L407-P439 HydrophobicContact CD2-CG 3.88Å; L407-P439 HydrophobicContact CG-CB 4.25Å; L407-P439 HydrophobicContact CG-CG 3.92Å; N408-P439 WeakPolarHBondContact OD1-CA 3.3Å; W411-P439 HydrophobicContact CB-CB 3.82Å; W411-P439 HydrophobicContact CB-CG 3.88Å; W411-P439 HydrophobicContact CG-CB 4.39Å; W411-P439 HydrophobicContact CG-CG 3.93Å; L435-P439 HydrophobicContact CD1-CG 3.95Å; P439-T441 PolarHBondContact O-N 3.33Å; P439-V442 HydrophobicContact CB-CG2 4.09Å; P439-V442 HydrophobicContact CG-CG2 4.1Å; P439-V442 VanDerWaalsContact O-CB 3.27Å; P439-V442 WeakPolarHBondContact O-CB 3.47Å; P439-V442 VanDerWaalsContact O-CG2 3.28Å; P439-V442 WeakPolarHBondContact O-CG2 3.46Å; P439-V442 PolarHBondContact O-N 2.76Å; P439-V442 VanDerWaalsContact O-N 3.13Å
440D87.6Confident91.3Very high58 Ų5838.8 Ų38.831%0.3120%0.2SC..G310 helixtrans-66.9-28.1-178-65.3-51.5000112.3Q404 N408 I438 V442 F443Q404-D440 PolarHBondContact NE2-OD2 2.98Å; N408-D440 PolarHBondContact ND2-OD2 2.87Å; N408-D440 PolarHBondContact OD1-N 3.17Å; I438-D440 PolarHBondContact O-N 2.91Å; D440-V442 PolarHBondContact O-N 2.96Å; D440-V442 VanDerWaalsContact O-N 3.08Å; D440-F443 WeakPolarHBondContact O-CD2 3.28Å; D440-F443 PolarHBondContact O-N 2.67Å
441T88.2Confident91.3Very high26 Ų2638.9 Ų38.916%0.1620%0.2CC..G310 helixtrans-60.4-15.217451.80000113.8W411 L413 L416 P439 F443W411-T441 WeakPolarHBondContact O-CB 3.3Å; W411-T441 WeakPolarHBondContact O-CG2 3.39Å; W411-T441 PolarHBondContact O-OG1 3.01Å; L413-T441 WeakPolarHBondContact CD2-O 3.24Å; L416-T441 WeakPolarHBondContact CD1-OG1 3.49Å; P439-T441 PolarHBondContact O-N 3.33Å; T441-F443 VanDerWaalsContact C-N 3.3Å
442V91.8Very high91.3Very high0 Ų037 Ų370%019%0.191CC..G310 helixtrans-67.5-34.3173.9173.70000111.1L416 L430 L432 P439 D440 D444 L445 L451L416-V442 HydrophobicContact CD1-CB 4.45Å; L416-V442 HydrophobicContact CD1-CG2 3.75Å; L416-V442 HydrophobicContact CD2-CG2 3.96Å; L430-V442 HydrophobicContact CD2-CB 4.49Å; L430-V442 HydrophobicContact CD2-CG1 3.69Å; L430-V442 HydrophobicContact CD2-CG2 4.16Å; L432-V442 HydrophobicContact CD1-CG2 3.84Å; P439-V442 HydrophobicContact CB-CG2 4.09Å; P439-V442 HydrophobicContact CG-CG2 4.1Å; P439-V442 VanDerWaalsContact O-CB 3.27Å; P439-V442 WeakPolarHBondContact O-CB 3.47Å; P439-V442 VanDerWaalsContact O-CG2 3.28Å; P439-V442 WeakPolarHBondContact O-CG2 3.46Å; P439-V442 PolarHBondContact O-N 2.76Å; P439-V442 VanDerWaalsContact O-N 3.13Å; D440-V442 PolarHBondContact O-N 2.96Å; D440-V442 VanDerWaalsContact O-N 3.08Å; V442-D444 PolarHBondContact O-N 3.2Å; V442-L445 WeakPolarHBondContact O-CB 3.25Å; V442-L445 PolarHBondContact O-N 3.32Å; V442-L451 HydrophobicContact CG1-CD1 3.98Å
443F91.1Very high91.4Very high0 Ų037 Ų370%019%0.191CC..THydrogen-bonded Turntrans-75.3-14.8-175.8-55.7-66.2000113.2I438 D440 T441 L445 P462 S464 I465 Q467 L468I438-F443 HydrophobicContact CG2-CE2 3.87Å; I438-F443 HydrophobicContact CG2-CZ 3.67Å; D440-F443 WeakPolarHBondContact O-CD2 3.28Å; D440-F443 PolarHBondContact O-N 2.67Å; T441-F443 VanDerWaalsContact C-N 3.3Å; F443-L445 PolarHBondContact O-N 3.21Å; F443-P462 HydrophobicContact CD2-CG 3.89Å; F443-P462 HydrophobicContact CE1-CG 4.49Å; F443-P462 HydrophobicContact CE2-CG 3.23Å; F443-P462 HydrophobicContact CZ-CG 3.58Å; F443-S464 WeakPolarHBondContact CD2-OG 3.41Å; F443-I465 HydrophobicContact CD1-CB 3.94Å; F443-I465 HydrophobicContact CD1-CG1 4.12Å; F443-I465 HydrophobicContact CE1-CB 3.9Å; F443-I465 HydrophobicContact CE1-CD1 4.3Å; F443-I465 HydrophobicContact CE1-CG1 4.01Å; F443-Q467 WeakPolarHBondContact O-CB 3.44Å; F443-Q467 PolarHBondContact O-OE1 3.38Å; F443-L468 HydrophobicContact CD1-CD1 3.89Å; F443-L468 HydrophobicContact CD1-CG 4.38Å; F443-L468 VanDerWaalsContact O-CD2 3.28Å; F443-L468 WeakPolarHBondContact O-CD2 3.48Å
444D90.9Very high91.5Very high78 Ų7833.8 Ų33.842%0.41718%0.178SC..THydrogen-bonded Turntrans-74.8-9.3171.7-65.5-36.5000112.9L413 V442 I446L413-D444 HydrophobicContact CD1-CB 4.41Å; L413-D444 HydrophobicContact CD2-CB 3.7Å; L413-D444 HydrophobicContact CG-CB 4.49Å; V442-D444 PolarHBondContact O-N 3.2Å; D444-I446 PolarHBondContact O-N 3.04Å; D444-I446 VanDerWaalsContact O-N 3.12Å
445L90.8Very high91.7Very high1 Ų131.4 Ų31.41%0.00517%0.167CC..  trans-85.871.2-179.8-61.6171.2000112.3L413 L416 R417 I420 L430 V442 F443 E447 L448 L468L413-L445 HydrophobicContact CD2-CD2 3.84Å; L413-L445 HydrophobicContact CD2-CG 4.26Å; L416-L445 HydrophobicContact CB-CD1 3.91Å; L416-L445 HydrophobicContact CD1-CD1 4.24Å; R417-L445 HydrophobicContact CG-CD2 3.96Å; I420-L445 HydrophobicContact CD1-CD1 4.23Å; I420-L445 HydrophobicContact CD1-CD2 4.27Å; L430-L445 HydrophobicContact CD2-CD1 3.92Å; V442-L445 WeakPolarHBondContact O-CB 3.25Å; V442-L445 PolarHBondContact O-N 3.32Å; F443-L445 PolarHBondContact O-N 3.21Å; L445-E447 PolarHBondContact O-N 3.24Å; L445-L448 HydrophobicContact CB-CB 4.39Å; L445-L448 VanDerWaalsContact O-CB 3.24Å; L445-L448 WeakPolarHBondContact O-CB 3.19Å; L445-L448 PolarHBondContact O-N 3Å; L445-L468 WeakPolarHBondContact O-CD2 3.09Å
446I91.8Very high91.8Very high98 Ų9830.6 Ų30.650%0.50316%0.162SC..THydrogen-bonded Turntrans-57.9-24.9-172.2-53.4163.1000113.9D444 L448 S470D444-I446 PolarHBondContact O-N 3.04Å; D444-I446 VanDerWaalsContact O-N 3.12Å; I446-L448 VanDerWaalsContact C-N 3.28Å; I446-L448 PolarHBondContact O-N 3.28Å; I446-S470 WeakPolarHBondContact O-CB 3.32Å; I446-S470 PolarHBondContact O-OG 2.96Å
447E91.7Very high91.8Very high89 Ų8930.9 Ų30.942%0.41616%0.163SC..THydrogen-bonded Turntrans-77.5-6.7178.864.9-161.6179.300114.3L428 L445 E449L428-E447 HydrophobicContact CD1-CB 4.15Å; L428-E447 HydrophobicContact CD1-CG 4.21Å; L428-E447 WeakPolarHBondContact CD1-O 3.32Å; L445-E447 PolarHBondContact O-N 3.24Å; E447-E449 PolarHBondContact O-N 2.93Å
448L92.9Very high91.3Very high0 Ų036.9 Ų36.90%019%0.193CC..  trans-74.2127-175.3-169.168.7000112.2L430 L445 I446 V450 L451 S470 L471L430-L448 HydrophobicContact CB-CD1 3.56Å; L430-L448 HydrophobicContact CB-CD2 3.88Å; L430-L448 HydrophobicContact CB-CG 4.39Å; L430-L448 HydrophobicContact CD2-CD2 4.26Å; L445-L448 HydrophobicContact CB-CB 4.39Å; L445-L448 VanDerWaalsContact O-CB 3.24Å; L445-L448 WeakPolarHBondContact O-CB 3.19Å; L445-L448 PolarHBondContact O-N 3Å; I446-L448 VanDerWaalsContact C-N 3.28Å; I446-L448 PolarHBondContact O-N 3.28Å; L448-V450 WeakPolarHBondContact CD1-O 3.45Å; L448-L451 HydrophobicContact CD2-CB 4.16Å; L448-L451 HydrophobicContact CD2-CD1 4.09Å; L448-S470 CarbonylContact O-C 3.14Å; L448-L471 PolarHBondContact O-N 3.33Å
449E94.6Very high91.1Very high66 Ų6636.6 Ų36.631%0.30819%0.192SC..  trans-101.5-29.9176.9-65.6-171-170.600113K427 L428 E447 K472 E473K427-E449 HydrophobicContact CB-CB 4.21Å; K427-E449 WeakPolarHBondContact CB-OE2 3.44Å; K427-E449 VanDerWaalsContact CG-OE2 3.28Å; K427-E449 WeakPolarHBondContact CG-OE2 3.41Å; L428-E449 PolarHBondContact O-N 3.01Å; L428-E449 VanDerWaalsContact O-N 3.14Å; E447-E449 PolarHBondContact O-N 2.93Å; E449-K472 PolarHBondContact O-N 3.09Å; E449-E473 PolarHBondContact O-N 3.14Å
450V96.2Very high90.9Very high0 Ų040.4 Ų40.40%022%0.215CC..EExtended strand (participates in β ladder)trans-129.1120.7-175.5-1780000110.4K427 L428 E429 L430 L448 K452 E473K427-V450 HydrophobicContact CB-CG2 3.9Å; K427-V450 HydrophobicContact CD-CG2 4.02Å; L428-V450 PolarHBondContact O-N 2.77Å; E429-V450 WeakPolarHBondContact CA-O 3.4Å; E429-V450 HydrophobicContact CB-CB 3.72Å; E429-V450 HydrophobicContact CB-CG1 3.98Å; E429-V450 HydrophobicContact CB-CG2 4.49Å; L430-V450 PolarHBondContact N-O 3.5Å; L448-V450 WeakPolarHBondContact CD1-O 3.45Å; V450-K452 HydrophobicContact CG1-CG 4.1Å; V450-E473 WeakPolarHBondContact CA-O 3.48Å; V450-E473 HydrophobicContact CB-CB 4.34Å; V450-E473 HydrophobicContact CG1-CB 4.1Å; V450-E473 HydrophobicContact CG2-CB 3.96Å; V450-E473 HydrophobicContact CG2-CG 4.01Å
451L95.5Very high91Very high2 Ų237.8 Ų37.81%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-110.5121.4173.2-178.961.8000110.3L430 L432 V442 L448 L453 L471 E473 L474 W475L430-L451 HydrophobicContact CD2-CD1 4.29Å; L432-L451 HydrophobicContact CD1-CD1 4.37Å; V442-L451 HydrophobicContact CG1-CD1 3.98Å; L448-L451 HydrophobicContact CD2-CB 4.16Å; L448-L451 HydrophobicContact CD2-CD1 4.09Å; L451-L453 HydrophobicContact CD1-CD2 4.03Å; L451-L453 HydrophobicContact CD2-CD2 4.24Å; L451-L453 HydrophobicContact CG-CD2 3.99Å; L451-L453 HydrophobicContact CG-CG 4.28Å; L451-L471 HydrophobicContact CB-CD1 3.97Å; L451-E473 PolarHBondContact N-O 2.97Å; L451-L474 HydrophobicContact CB-CD1 4.12Å; L451-L474 HydrophobicContact CD2-CD1 4.14Å; L451-L474 HydrophobicContact CG-CD1 4.22Å; L451-L474 WeakPolarHBondContact O-CA 3.3Å; L451-W475 PolarHBondContact O-N 2.91Å
452K95.6Very high91.1Very high32 Ų3237.6 Ų37.614%0.13920%0.2CC..EExtended strand (participates in β ladder)trans-111.8122.6175.6-51.8-175.3-179.3161.90111.2E429 L430 H431 L432 V450 W475E429-K452 IonicContact OE1-NZ 3.92Å; E429-K452 PolarHBondContact OE1-NZ 2.75Å; E429-K452 VanDerWaalsContact OE2-CE 3.23Å; E429-K452 WeakPolarHBondContact OE2-CE 3.32Å; E429-K452 IonicContact OE2-NZ 3.85Å; E429-K452 PolarHBondContact OE2-NZ 3.11Å; L430-K452 PolarHBondContact O-N 2.89Å; H431-K452 HydrophobicContact CB-CB 4.25Å; L432-K452 PolarHBondContact N-O 3.37Å; V450-K452 HydrophobicContact CG1-CG 4.1Å; K452-W475 HydrophobicContact CB-CB 4.01Å; K452-W475 HydrophobicContact CB-CG 4.39Å; K452-W475 HydrophobicContact CD-CD2 3.98Å; K452-W475 HydrophobicContact CD-CE3 3.99Å; K452-W475 HydrophobicContact CD-CG 4.25Å; K452-W475 HydrophobicContact CG-CB 3.86Å; K452-W475 HydrophobicContact CG-CD2 3.95Å; K452-W475 HydrophobicContact CG-CE3 4.38Å; K452-W475 HydrophobicContact CG-CG 3.68Å
453L95.5Very high90.9Very high1 Ų139.1 Ų39.11%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-114.9119.3178-53.8-179.6000108.6L432 I438 L451 I456 V459 L474 W475 L476 Y477 T479L432-L453 HydrophobicContact CB-CD2 4.22Å; L432-L453 HydrophobicContact CD1-CD2 3.9Å; L432-L453 HydrophobicContact CG-CD2 4.43Å; I438-L453 HydrophobicContact CD1-CD1 3.65Å; I438-L453 HydrophobicContact CD1-CD2 4.41Å; I438-L453 HydrophobicContact CG1-CD1 4.34Å; I438-L453 HydrophobicContact CG1-CD2 4.43Å; L451-L453 HydrophobicContact CD1-CD2 4.03Å; L451-L453 HydrophobicContact CD2-CD2 4.24Å; L451-L453 HydrophobicContact CG-CD2 3.99Å; L451-L453 HydrophobicContact CG-CG 4.28Å; L453-I456 HydrophobicContact CB-CD1 4.06Å; L453-I456 HydrophobicContact CD2-CD1 3.91Å; L453-V459 HydrophobicContact CD1-CG1 4.44Å; L453-L474 HydrophobicContact CD1-CD1 4.5Å; L453-W475 PolarHBondContact N-O 3.49Å; L453-L476 HydrophobicContact CB-CD2 4.46Å; L453-L476 HydrophobicContact CD1-CD2 3.94Å; L453-Y477 PolarHBondContact O-N 2.83Å; L453-T479 HydrophobicContact CB-CG2 4.33Å
454E95.9Very high90.8Very high37 Ų3740.6 Ų40.617%0.17322%0.22CC..EExtended strand (participates in β ladder)trans-129.3126.7-179.3-177169.5-151.700111.7H431 L432 F433 M434 I456 Y477H431-E454 IonicContact CE1-OE2 3.58Å; H431-E454 PolarHBondContact CE1-OE2 2.92Å; H431-E454 VanDerWaalsContact CE1-OE2 3.25Å; H431-E454 WeakPolarHBondContact NE2-CB 3.48Å; H431-E454 IonicContact NE2-OE2 2.87Å; H431-E454 PolarHBondContact NE2-OE2 2.86Å; L432-E454 PolarHBondContact O-N 3.26Å; F433-E454 WeakPolarHBondContact CA-O 3.31Å; F433-E454 HydrophobicContact CD2-CB 3.89Å; F433-E454 HydrophobicContact CD2-CG 3.61Å; F433-E454 WeakPolarHBondContact CD2-OE2 3.33Å; F433-E454 HydrophobicContact CE2-CG 3.87Å; M434-E454 PolarHBondContact N-O 3.21Å; E454-I456 VanDerWaalsContact C-N 3.3Å; E454-I456 PolarHBondContact O-N 3.26Å; E454-Y477 WeakPolarHBondContact CA-O 3.36Å
455L93.6Very high90.8Very high71 Ų7137 Ų3737%0.37220%0.201SC..SBendtrans54.440177.8-63169.5000114.3F433 M434 Y477 H478F433-L455 HydrophobicContact CE2-CD1 3.76Å; F433-L455 HydrophobicContact CZ-CD1 4.14Å; M434-L455 HydrophobicContact CG-CB 4.24Å; M434-L455 HydrophobicContact CG-CD1 4.27Å; M434-L455 HydrophobicContact SD-CB 3.63Å; M434-L455 HydrophobicContact SD-CD1 3.68Å; M434-L455 HydrophobicContact SD-CG 4.28Å; L455-Y477 PolarHBondContact N-O 3.15Å; L455-H478 HydrophobicContact CD2-CB 3.71Å
456I91Very high90.8Very high1 Ų139.1 Ų39.11%0.00522%0.219CC..  trans-98.9117.9173-49.8-178000108.6L432 L435 L453 E454 V459 T479L432-I456 HydrophobicContact CB-CD1 4.06Å; L435-I456 HydrophobicContact CB-CD1 4.4Å; L435-I456 HydrophobicContact CB-CG1 4.42Å; L453-I456 HydrophobicContact CB-CD1 4.06Å; L453-I456 HydrophobicContact CD2-CD1 3.91Å; E454-I456 VanDerWaalsContact C-N 3.3Å; E454-I456 PolarHBondContact O-N 3.26Å; I456-V459 HydrophobicContact CB-CG2 3.65Å; I456-V459 HydrophobicContact CG2-CG2 3.41Å; I456-V459 VanDerWaalsContact CG2-CG2 3.41Å; I456-V459 WeakPolarHBondContact O-CG2 3.3Å; I456-T479 HydrophobicContact CB-CG2 4.02Å; I456-T479 HydrophobicContact CG1-CG2 4.42Å; I456-T479 VanDerWaalsContact N-CG2 3.31Å
457P85.6Confident90.8Very high72 Ų7238.9 Ų38.947%0.46822%0.215SC..THydrogen-bonded Turntrans-77.4153.7179.232.5-33.2000111.7L435 V459L435-P457 VanDerWaalsContact O-CD 3.28Å; L435-P457 WeakPolarHBondContact O-CD 3.38Å; P457-V459 VanDerWaalsContact C-N 3.25Å; P457-V459 PolarHBondContact O-N 3.36Å; P457-V459 VanDerWaalsContact O-N 3.1Å
458D77.6Confident90.8Very high135 Ų13534.6 Ų34.672%0.72220%0.196SC*.THydrogen-bonded Turntrans4742171.2-63.2-48.9000115.3T460D458-T460 PolarHBondContact O-N 3.26Å
459V84.2Confident90.6Very high2 Ų238.7 Ų38.71%0.01222%0.22CC..EExtended strand (participates in β ladder)trans-65120.7-178.7169.50000110.6I438 L453 I456 P457 I461 A480 A481 K482I438-V459 HydrophobicContact CD1-CG1 3.42Å; I438-V459 VanDerWaalsContact CD1-CG1 3.42Å; I438-V459 HydrophobicContact CG1-CG1 4.09Å; I438-V459 HydrophobicContact CG1-CG2 4.38Å; L453-V459 HydrophobicContact CD1-CG1 4.44Å; I456-V459 HydrophobicContact CB-CG2 3.65Å; I456-V459 HydrophobicContact CG2-CG2 3.41Å; I456-V459 VanDerWaalsContact CG2-CG2 3.41Å; I456-V459 WeakPolarHBondContact O-CG2 3.3Å; P457-V459 VanDerWaalsContact C-N 3.25Å; P457-V459 PolarHBondContact O-N 3.36Å; P457-V459 VanDerWaalsContact O-N 3.1Å; V459-I461 HydrophobicContact CG1-CG1 4.08Å; V459-A480 PolarHBondContact N-O 3.17Å; V459-A481 HydrophobicContact CB-CB 4.39Å; V459-A481 HydrophobicContact CG1-CB 4.07Å; V459-A481 CarbonylContact O-C 3.57Å; V459-A481 WeakPolarHBondContact O-CA 3.33Å; V459-K482 PolarHBondContact O-N 3.02Å
460T87.7Confident90.5Very high80 Ų8037.4 Ų37.449%0.49122%0.219SC..EExtended strand (participates in β ladder)trans-108.9116.9161.8490000108.2D458 P462 K482D458-T460 PolarHBondContact O-N 3.26Å; T460-P462 WeakPolarHBondContact O-CD 3.1Å; T460-K482 WeakPolarHBondContact CA-O 3.27Å; T460-K482 HydrophobicContact CG2-CB 4.1Å
461I89.6Confident90.4Very high3 Ų337.5 Ų37.52%0.01522%0.219CC..EExtended strand (participates in β ladder)trans-77.9113.2175.6-61.9175.8000108.2I438 V459 I465 L474 A481 K482 I483 A487I438-I461 HydrophobicContact CD1-CG1 4.4Å; V459-I461 HydrophobicContact CG1-CG1 4.08Å; I461-I465 HydrophobicContact CG2-CB 4.05Å; I461-I465 HydrophobicContact CG2-CD1 3.55Å; I461-I465 HydrophobicContact CG2-CG1 4.39Å; I461-I465 HydrophobicContact CG2-CG2 4.01Å; I461-L474 HydrophobicContact CD1-CD2 4.21Å; I461-A481 HydrophobicContact CD1-CB 4.44Å; I461-K482 PolarHBondContact N-O 3.46Å; I461-I483 HydrophobicContact CB-CD1 4.39Å; I461-I483 HydrophobicContact CB-CG1 4.15Å; I461-I483 HydrophobicContact CD1-CD1 4.45Å; I461-I483 HydrophobicContact CG2-CD1 4.43Å; I461-A487 HydrophobicContact CG2-CB 4.37Å
462P89.4Confident90.3Very high21 Ų2140.3 Ų40.314%0.13623%0.231CC..  trans-74.1161.5-177.631.7-36.3000112.1F443 T460 S464 I465F443-P462 HydrophobicContact CD2-CG 3.89Å; F443-P462 HydrophobicContact CE1-CG 4.49Å; F443-P462 HydrophobicContact CE2-CG 3.23Å; F443-P462 HydrophobicContact CZ-CG 3.58Å; T460-P462 WeakPolarHBondContact O-CD 3.1Å; P462-S464 WeakPolarHBondContact CG-OG 3.36Å; P462-S464 PolarHBondContact O-N 3.08Å; P462-I465 WeakPolarHBondContact O-CG2 3.32Å; P462-I465 PolarHBondContact O-N 3.31Å
463P88.4Confident90.3Very high32 Ų3239.1 Ų39.121%0.20823%0.227CC..G310 helixtrans-64.4-17.4177.527.4-35.2000113.6V224 I465 A466 E484 P486V224-P463 HydrophobicContact CG2-CG 3.91Å; P463-I465 PolarHBondContact O-N 3.42Å; P463-I465 VanDerWaalsContact O-N 3.13Å; P463-A466 WeakPolarHBondContact O-CB 3.47Å; P463-A466 PolarHBondContact O-N 3.48Å; P463-A466 VanDerWaalsContact O-N 3.14Å; P463-E484 WeakPolarHBondContact CD-OE2 3.45Å; P463-P486 HydrophobicContact CB-CB 4.02Å; P463-P486 HydrophobicContact CB-CG 4.45Å
464S88.7Confident90.3Very high32 Ų3239.1 Ų39.122%0.22423%0.226CC..G310 helixtrans-59.9-18173.748.50000113.4F443 P462 A466 Q467F443-S464 WeakPolarHBondContact CD2-OG 3.41Å; P462-S464 WeakPolarHBondContact CG-OG 3.36Å; P462-S464 PolarHBondContact O-N 3.08Å; S464-A466 PolarHBondContact O-N 3.36Å; S464-Q467 VanDerWaalsContact O-CB 3.32Å; S464-Q467 WeakPolarHBondContact O-CB 3.43Å; S464-Q467 WeakPolarHBondContact O-CG 3.26Å; S464-Q467 PolarHBondContact O-N 2.98Å
465I91.3Very high90.3Very high1 Ų139.5 Ų39.51%0.00523%0.226CC..G310 helixtrans-54.9-24.1171.9-163.3165.8000113.4F443 I461 P462 P463 Q467 L468 L471 A487 F490 L491F443-I465 HydrophobicContact CD1-CB 3.94Å; F443-I465 HydrophobicContact CD1-CG1 4.12Å; F443-I465 HydrophobicContact CE1-CB 3.9Å; F443-I465 HydrophobicContact CE1-CD1 4.3Å; F443-I465 HydrophobicContact CE1-CG1 4.01Å; I461-I465 HydrophobicContact CG2-CB 4.05Å; I461-I465 HydrophobicContact CG2-CD1 3.55Å; I461-I465 HydrophobicContact CG2-CG1 4.39Å; I461-I465 HydrophobicContact CG2-CG2 4.01Å; P462-I465 WeakPolarHBondContact O-CG2 3.32Å; P462-I465 PolarHBondContact O-N 3.31Å; P463-I465 PolarHBondContact O-N 3.42Å; P463-I465 VanDerWaalsContact O-N 3.13Å; I465-Q467 PolarHBondContact O-N 3.4Å; I465-Q467 VanDerWaalsContact O-N 3.11Å; I465-L468 HydrophobicContact CG1-CD1 4.23Å; I465-L468 WeakPolarHBondContact O-CB 3.36Å; I465-L468 PolarHBondContact O-N 2.95Å; I465-L471 HydrophobicContact CD1-CD2 3.98Å; I465-L471 HydrophobicContact CG1-CD2 4.2Å; I465-A487 HydrophobicContact CG2-CB 3.74Å; I465-F490 HydrophobicContact CG1-CD1 4.43Å; I465-F490 HydrophobicContact CG1-CE1 4.36Å; I465-F490 HydrophobicContact CG2-CD1 4.08Å; I465-F490 WeakPolarHBondContact O-CE1 3.22Å; I465-L491 HydrophobicContact CD1-CD2 3.88Å; I465-L491 HydrophobicContact CD1-CG 4.46Å
466A90.3Very high90.4Very high46 Ų4636.2 Ų36.238%0.3821%0.209SC..G310 helixtrans-61.1-18.1176.200000113.9P463 S464 L468 F490P463-A466 WeakPolarHBondContact O-CB 3.47Å; P463-A466 PolarHBondContact O-N 3.48Å; P463-A466 VanDerWaalsContact O-N 3.14Å; S464-A466 PolarHBondContact O-N 3.36Å; A466-L468 VanDerWaalsContact C-N 3.28Å; A466-F490 HydrophobicContact CB-CB 4.18Å; A466-F490 HydrophobicContact CB-CD2 3.98Å; A466-F490 HydrophobicContact CB-CG 4.05Å
467Q91.7Very high90.6Very high93 Ų9338.7 Ų38.744%0.43522%0.219SC..G310 helixtrans-70.3-24.8174-63.1173.4-4.100112.4F443 S464 I465 T469F443-Q467 WeakPolarHBondContact O-CB 3.44Å; F443-Q467 PolarHBondContact O-OE1 3.38Å; S464-Q467 VanDerWaalsContact O-CB 3.32Å; S464-Q467 WeakPolarHBondContact O-CB 3.43Å; S464-Q467 WeakPolarHBondContact O-CG 3.26Å; S464-Q467 PolarHBondContact O-N 2.98Å; I465-Q467 PolarHBondContact O-N 3.4Å; I465-Q467 VanDerWaalsContact O-N 3.11Å; Q467-T469 PolarHBondContact O-N 3.28Å
468L91.1Very high90.9Very high0 Ų037.5 Ų37.50%021%0.207CC..  trans-80.162.3-178.6-61-177000112.5F443 L445 I465 A466 S470 L471 F490F443-L468 HydrophobicContact CD1-CD1 3.89Å; F443-L468 HydrophobicContact CD1-CG 4.38Å; F443-L468 VanDerWaalsContact O-CD2 3.28Å; F443-L468 WeakPolarHBondContact O-CD2 3.48Å; L445-L468 WeakPolarHBondContact O-CD2 3.09Å; I465-L468 HydrophobicContact CG1-CD1 4.23Å; I465-L468 WeakPolarHBondContact O-CB 3.36Å; I465-L468 PolarHBondContact O-N 2.95Å; A466-L468 VanDerWaalsContact C-N 3.28Å; L468-S470 PolarHBondContact O-N 3.27Å; L468-L471 HydrophobicContact CB-CB 4.03Å; L468-L471 VanDerWaalsContact O-CB 3.27Å; L468-L471 WeakPolarHBondContact O-CB 3.46Å; L468-L471 PolarHBondContact O-N 3.24Å; L468-F490 VanDerWaalsContact O-CZ 3.3Å; L468-F490 WeakPolarHBondContact O-CZ 3.19Å
469T89.6Confident91.5Very high85 Ų8531.3 Ų31.352%0.52117%0.174SC..THydrogen-bonded Turntrans-54.7-26.9-176.2570000114.8Q467Q467-T469 PolarHBondContact O-N 3.28Å
470S91.7Very high91.5Very high40 Ų4033.5 Ų33.528%0.2819%0.192SC..THydrogen-bonded Turntrans-84.3-10.1179.8-51.70000114I446 L448 L468 K472I446-S470 WeakPolarHBondContact O-CB 3.32Å; I446-S470 PolarHBondContact O-OG 2.96Å; L448-S470 CarbonylContact O-C 3.14Å; L468-S470 PolarHBondContact O-N 3.27Å; S470-K472 WeakPolarHBondContact O-CG 3.42Å; S470-K472 PolarHBondContact O-N 3.5Å
471L94.3Very high91.4Very high1 Ų130 Ų301%0.00517%0.172CC..  trans-61.5123-174-171.172.4000111.3L448 L451 I465 L468 L491L448-L471 PolarHBondContact O-N 3.33Å; L451-L471 HydrophobicContact CB-CD1 3.97Å; I465-L471 HydrophobicContact CD1-CD2 3.98Å; I465-L471 HydrophobicContact CG1-CD2 4.2Å; L468-L471 HydrophobicContact CB-CB 4.03Å; L468-L471 VanDerWaalsContact O-CB 3.27Å; L468-L471 WeakPolarHBondContact O-CB 3.46Å; L468-L471 PolarHBondContact O-N 3.24Å; L471-L491 HydrophobicContact CD2-CD2 4.07Å
472K93.7Very high91.4Very high61 Ų6136.8 Ų36.827%0.26520%0.201SC..  trans-120.1-27.1176.4-59.4-55167.3-146.50113.1E449 S470 K496 S497E449-K472 PolarHBondContact O-N 3.09Å; S470-K472 WeakPolarHBondContact O-CG 3.42Å; S470-K472 PolarHBondContact O-N 3.5Å; K472-K496 HydrophobicContact CD-CD 4.18Å; K472-K496 HydrophobicContact CD-CG 4.32Å; K472-K496 PolarHBondContact O-N 3.04Å; K472-S497 PolarHBondContact O-N 3Å; K472-S497 VanDerWaalsContact O-N 3.08Å
473E95.9Very high91.3Very high8 Ų837.2 Ų37.24%0.03720%0.202CC..EExtended strand (participates in β ladder)trans-130.6139.3-175.6-45.4-170.4172.800112.9K427 E449 V450 L451 S497K427-E473 IonicContact NZ-OE1 3.52Å; K427-E473 PolarHBondContact NZ-OE1 3.2Å; E449-E473 PolarHBondContact O-N 3.14Å; V450-E473 WeakPolarHBondContact CA-O 3.48Å; V450-E473 HydrophobicContact CB-CB 4.34Å; V450-E473 HydrophobicContact CG1-CB 4.1Å; V450-E473 HydrophobicContact CG2-CB 3.96Å; V450-E473 HydrophobicContact CG2-CG 4.01Å; L451-E473 PolarHBondContact N-O 2.97Å; E473-S497 WeakPolarHBondContact CA-O 3.31Å
474L95.9Very high91.2Very high0 Ų039.5 Ų39.50%021%0.21CC..EExtended strand (participates in β ladder)trans-129.4132176.5-178.964.7000109.6L451 L453 I461 L476 L491 L495 S497 L498 H499 W511L451-L474 HydrophobicContact CB-CD1 4.12Å; L451-L474 HydrophobicContact CD2-CD1 4.14Å; L451-L474 HydrophobicContact CG-CD1 4.22Å; L451-L474 WeakPolarHBondContact O-CA 3.3Å; L453-L474 HydrophobicContact CD1-CD1 4.5Å; I461-L474 HydrophobicContact CD1-CD2 4.21Å; L474-L476 HydrophobicContact CD1-CD2 4.34Å; L474-L476 HydrophobicContact CD2-CD2 4.25Å; L474-L476 HydrophobicContact CD2-CG 4.37Å; L474-L476 HydrophobicContact CG-CD2 4.16Å; L474-L476 HydrophobicContact CG-CG 4.27Å; L474-L491 HydrophobicContact CD2-CD1 4.45Å; L474-L495 HydrophobicContact CB-CD1 3.74Å; L474-L495 HydrophobicContact CB-CD2 4.22Å; L474-S497 PolarHBondContact N-O 3.43Å; L474-S497 VanDerWaalsContact N-O 3.16Å; L474-L498 HydrophobicContact CB-CD1 4.06Å; L474-L498 HydrophobicContact CD2-CD1 4.21Å; L474-L498 HydrophobicContact CG-CD1 4.23Å; L474-L498 WeakPolarHBondContact O-CA 3.26Å; L474-L498 WeakPolarHBondContact O-CD1 3.29Å; L474-H499 PolarHBondContact O-N 2.95Å; L474-W511 HydrophobicContact CD2-CH2 4.38Å
475W96.2Very high91.1Very high46 Ų4641.9 Ų41.917%0.17423%0.231CC..EExtended strand (participates in β ladder)trans-119.1121.9177.8-56.643.8000109.2L451 K452 L453 Y477 H499L451-W475 PolarHBondContact O-N 2.91Å; K452-W475 HydrophobicContact CB-CB 4.01Å; K452-W475 HydrophobicContact CB-CG 4.39Å; K452-W475 HydrophobicContact CD-CD2 3.98Å; K452-W475 HydrophobicContact CD-CE3 3.99Å; K452-W475 HydrophobicContact CD-CG 4.25Å; K452-W475 HydrophobicContact CG-CB 3.86Å; K452-W475 HydrophobicContact CG-CD2 3.95Å; K452-W475 HydrophobicContact CG-CE3 4.38Å; K452-W475 HydrophobicContact CG-CG 3.68Å; L453-W475 PolarHBondContact N-O 3.49Å; W475-Y477 HydrophobicContact CB-CD1 4.38Å; W475-Y477 HydrophobicContact CB-CE1 4.28Å; W475-Y477 HydrophobicContact CD2-CE1 4.48Å; W475-Y477 AromaticContact CE3-CE1 3.7Å; W475-Y477 HydrophobicContact CE3-CE1 3.7Å; W475-Y477 HydrophobicContact CE3-CE2 4.13Å; W475-Y477 AromaticContact CE3-CZ 3.4Å; W475-Y477 VanDerWaalsContact CE3-CZ 3.4Å; W475-Y477 HydrophobicContact CZ3-CE1 4.43Å; W475-Y477 HydrophobicContact CZ3-CE2 4.43Å; W475-Y477 AromaticContact CZ3-CZ 3.76Å; W475-Y477 WeakPolarHBondContact CZ3-OH 3.24Å; W475-H499 CarbonylContact C-O 3.12Å; W475-H499 WeakPolarHBondContact CA-O 3.43Å; W475-H499 HydrophobicContact CB-CB 4.06Å; W475-H499 AromaticContact CD1-CD2 3.87Å; W475-H499 HydrophobicContact CD2-CB 3.8Å; W475-H499 AromaticContact CD2-CG 3.72Å; W475-H499 AromaticContact CE2-CD2 3.57Å; W475-H499 AromaticContact CE2-CE1 3.93Å; W475-H499 AromaticContact CE2-CG 3.68Å; W475-H499 AromaticContact CE2-ND1 3.89Å; W475-H499 AromaticContact CE2-NE2 3.75Å; W475-H499 HydrophobicContact CE3-CB 4.2Å; W475-H499 HydrophobicContact CG-CB 3.76Å; W475-H499 AromaticContact CH2-CE1 4Å; W475-H499 AromaticContact CH2-ND1 3.97Å; W475-H499 AromaticContact CZ2-CE1 3.59Å; W475-H499 AromaticContact CZ2-ND1 3.82Å; W475-H499 AromaticContact CZ2-NE2 3.73Å; W475-H499 AromaticContact NE1-CD2 3.47Å; W475-H499 PolarHBondContact NE1-CD2 3.34Å; W475-H499 AromaticContact NE1-CG 3.97Å; W475-H499 AromaticContact NE1-NE2 3.83Å
476L95.3Very high91Very high1 Ų145.5 Ų45.51%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-11596.2179.7-61.2-179.3000108.7L453 L474 T479 A481 L498 H499 I500 K501 P509 W511L453-L476 HydrophobicContact CB-CD2 4.46Å; L453-L476 HydrophobicContact CD1-CD2 3.94Å; L474-L476 HydrophobicContact CD1-CD2 4.34Å; L474-L476 HydrophobicContact CD2-CD2 4.25Å; L474-L476 HydrophobicContact CD2-CG 4.37Å; L474-L476 HydrophobicContact CG-CD2 4.16Å; L474-L476 HydrophobicContact CG-CG 4.27Å; L476-T479 VanDerWaalsContact CA-OG1 3.3Å; L476-T479 WeakPolarHBondContact CA-OG1 3.49Å; L476-T479 WeakPolarHBondContact CB-OG1 3.21Å; L476-A481 HydrophobicContact CD1-CB 4.06Å; L476-A481 HydrophobicContact CD2-CB 4.22Å; L476-L498 HydrophobicContact CD1-CD1 4.39Å; L476-H499 PolarHBondContact N-O 3.41Å; L476-I500 WeakPolarHBondContact O-CA 3.28Å; L476-K501 PolarHBondContact O-N 3.29Å; L476-P509 HydrophobicContact CD1-CG 4.4Å; L476-W511 HydrophobicContact CD1-CH2 4.19Å; L476-W511 HydrophobicContact CD1-CZ2 4.1Å
477Y95.2Very high91Very high53 Ų5343.3 Ų43.321%0.20824%0.237CC..EExtended strand (participates in β ladder)trans-107.8102.9-174.2-8221.5000110.9L453 E454 L455 W475 T479 H499 K501L453-Y477 PolarHBondContact O-N 2.83Å; E454-Y477 WeakPolarHBondContact CA-O 3.36Å; L455-Y477 PolarHBondContact N-O 3.15Å; W475-Y477 HydrophobicContact CB-CD1 4.38Å; W475-Y477 HydrophobicContact CB-CE1 4.28Å; W475-Y477 HydrophobicContact CD2-CE1 4.48Å; W475-Y477 AromaticContact CE3-CE1 3.7Å; W475-Y477 HydrophobicContact CE3-CE1 3.7Å; W475-Y477 HydrophobicContact CE3-CE2 4.13Å; W475-Y477 AromaticContact CE3-CZ 3.4Å; W475-Y477 VanDerWaalsContact CE3-CZ 3.4Å; W475-Y477 HydrophobicContact CZ3-CE1 4.43Å; W475-Y477 HydrophobicContact CZ3-CE2 4.43Å; W475-Y477 AromaticContact CZ3-CZ 3.76Å; W475-Y477 WeakPolarHBondContact CZ3-OH 3.24Å; Y477-T479 PolarHBondContact N-OG1 2.79Å; Y477-T479 WeakPolarHBondContact O-CG2 3.45Å; Y477-T479 PolarHBondContact O-N 2.92Å; Y477-H499 HydrophobicContact CE1-CB 4.13Å; Y477-K501 HydrophobicContact CD1-CB 3.54Å; Y477-K501 HydrophobicContact CD2-CB 4.48Å; Y477-K501 HydrophobicContact CD2-CD 4.05Å; Y477-K501 HydrophobicContact CE1-CB 3.88Å; Y477-K501 HydrophobicContact CE2-CD 4.27Å; Y477-K501 HydrophobicContact CG-CB 3.87Å; Y477-K501 HydrophobicContact CG-CD 4.17Å
478H92.4Very high91Very high48 Ų4840.7 Ų40.722%0.22223%0.226CC..SBendtrans5439.4-173.9-56.6-71000111.8L455 K501 T503L455-H478 HydrophobicContact CD2-CB 3.71Å; H478-K501 PolarHBondContact N-O 2.84Å; H478-K501 WeakPolarHBondContact NE2-CE 3.11Å; H478-T503 PolarHBondContact ND1-OG1 3.38Å
479T89.1Confident91.1Very high4 Ų443.3 Ų43.33%0.02525%0.247CC..  trans-126113.5-178.957.90000109.5L453 I456 L476 Y477 A481L453-T479 HydrophobicContact CB-CG2 4.33Å; I456-T479 HydrophobicContact CB-CG2 4.02Å; I456-T479 HydrophobicContact CG1-CG2 4.42Å; I456-T479 VanDerWaalsContact N-CG2 3.31Å; L476-T479 VanDerWaalsContact CA-OG1 3.3Å; L476-T479 WeakPolarHBondContact CA-OG1 3.49Å; L476-T479 WeakPolarHBondContact CB-OG1 3.21Å; Y477-T479 PolarHBondContact N-OG1 2.79Å; Y477-T479 WeakPolarHBondContact O-CG2 3.45Å; Y477-T479 PolarHBondContact O-N 2.92Å; T479-A481 PolarHBondContact O-N 3.31Å
480A83.9Confident91.2Very high49 Ų4940.5 Ų40.541%0.40523%0.228SC..  trans-77.6114.9170.300000108.8V459V459-A480 PolarHBondContact N-O 3.17Å
481A86.9Confident91.3Very high7 Ų738.6 Ų38.66%0.05821%0.214CC..EExtended strand (participates in β ladder)trans-109.3118.8-176.400000111.5V459 I461 L476 T479 W511V459-A481 HydrophobicContact CB-CB 4.39Å; V459-A481 HydrophobicContact CG1-CB 4.07Å; V459-A481 CarbonylContact O-C 3.57Å; V459-A481 WeakPolarHBondContact O-CA 3.33Å; I461-A481 HydrophobicContact CD1-CB 4.44Å; L476-A481 HydrophobicContact CD1-CB 4.06Å; L476-A481 HydrophobicContact CD2-CB 4.22Å; T479-A481 PolarHBondContact O-N 3.31Å; A481-W511 HydrophobicContact CB-CZ2 4.21Å; A481-W511 PolarHBondContact O-NE1 2.88Å
482K88.1Confident91.2Very high145 Ų14543.1 Ų43.163%0.6323%0.231SC*.EExtended strand (participates in β ladder)trans-88.7147.7163.5-64.5175.5-173.4168.20108.6V459 T460 I461V459-K482 PolarHBondContact O-N 3.02Å; T460-K482 WeakPolarHBondContact CA-O 3.27Å; T460-K482 HydrophobicContact CG2-CB 4.1Å; I461-K482 PolarHBondContact N-O 3.46Å
483I88.4Confident91Very high30 Ų3047.1 Ų47.115%0.15425%0.251CS..EExtended strand (participates in β ladder)trans-135.7138.9-179.7-164.3163.7000110.2I461 A487 L488 L491 W511I461-I483 HydrophobicContact CB-CD1 4.39Å; I461-I483 HydrophobicContact CB-CG1 4.15Å; I461-I483 HydrophobicContact CD1-CD1 4.45Å; I461-I483 HydrophobicContact CG2-CD1 4.43Å; I483-A487 HydrophobicContact CD1-CB 3.98Å; I483-A487 HydrophobicContact CG1-CB 3.63Å; I483-L488 HydrophobicContact CD1-CB 4.26Å; I483-L488 HydrophobicContact CD1-CD1 4.34Å; I483-L488 HydrophobicContact CG1-CB 4.34Å; I483-L488 HydrophobicContact CG2-CB 4.17Å; I483-L488 HydrophobicContact CG2-CD1 4.11Å; I483-L491 HydrophobicContact CD1-CD1 3.31Å; I483-L491 HydrophobicContact CD1-CG 4.14Å; I483-W511 HydrophobicContact CG2-CB 3.99Å; I483-W511 VanDerWaalsContact CG2-CD1 3.46Å; I483-W511 HydrophobicContact CG2-CD2 3.79Å; I483-W511 HydrophobicContact CG2-CG 3.49Å; I483-W511 VanDerWaalsContact CG2-CG 3.49Å
484E84.9Confident90.7Very high80 Ų8048.7 Ų48.737%0.37426%0.26SS..  trans-80.8156.7173.9-64.2180-160.400111.3P463 P486 A487 L488P463-E484 WeakPolarHBondContact CD-OE2 3.45Å; E484-P486 VanDerWaalsContact C-CD 3.47Å; E484-A487 PolarHBondContact O-N 3.47Å; E484-L488 WeakPolarHBondContact O-CB 3.45Å; E484-L488 PolarHBondContact O-N 3.26Å
485A86.9Confident90.7Very high81 Ų8148.8 Ų48.867%0.66926%0.26SS*.Hα-helixtrans-56.8-40.5-176.900000114.6L488 A489A485-L488 PolarHBondContact O-N 2.89Å; A485-A489 PolarHBondContact O-N 2.88Å; A485-A489 VanDerWaalsContact O-N 3.09Å
486P89.6Confident90.6Very high78 Ų7851.4 Ų51.451%0.50627%0.273SS..Hα-helixtrans-68.5-41.9178.5-16.630.3000112.6P463 E484 L488 A489 F490P463-P486 HydrophobicContact CB-CB 4.02Å; P463-P486 HydrophobicContact CB-CG 4.45Å; E484-P486 VanDerWaalsContact C-CD 3.47Å; P486-L488 VanDerWaalsContact C-N 3.29Å; P486-L488 PolarHBondContact O-N 3.17Å; P486-A489 WeakPolarHBondContact O-CB 3.34Å; P486-A489 PolarHBondContact O-N 3.28Å; P486-F490 PolarHBondContact O-N 3.12Å
487A90.6Very high90.7Very high0 Ų051.4 Ų51.40%027%0.273CS..Hα-helixtrans-61.2-39.7174.600000111.5I461 I465 I483 E484 A489 F490 L491I461-A487 HydrophobicContact CG2-CB 4.37Å; I465-A487 HydrophobicContact CG2-CB 3.74Å; I483-A487 HydrophobicContact CD1-CB 3.98Å; I483-A487 HydrophobicContact CG1-CB 3.63Å; E484-A487 PolarHBondContact O-N 3.47Å; A487-A489 PolarHBondContact O-N 2.76Å; A487-F490 PolarHBondContact O-N 2.72Å; A487-L491 PolarHBondContact O-N 3.32Å
488L92.4Very high90.7Very high38 Ų3848.9 Ų48.920%0.19926%0.263CS..Hα-helixtrans-64.7-38.4177.3-174.460.6000112.3I483 E484 A485 P486 F490 L491 R492 W511 S514 L515I483-L488 HydrophobicContact CD1-CB 4.26Å; I483-L488 HydrophobicContact CD1-CD1 4.34Å; I483-L488 HydrophobicContact CG1-CB 4.34Å; I483-L488 HydrophobicContact CG2-CB 4.17Å; I483-L488 HydrophobicContact CG2-CD1 4.11Å; E484-L488 WeakPolarHBondContact O-CB 3.45Å; E484-L488 PolarHBondContact O-N 3.26Å; A485-L488 PolarHBondContact O-N 2.89Å; P486-L488 VanDerWaalsContact C-N 3.29Å; P486-L488 PolarHBondContact O-N 3.17Å; L488-F490 VanDerWaalsContact C-N 3.32Å; L488-F490 PolarHBondContact O-N 2.81Å; L488-L491 PolarHBondContact O-N 2.8Å; L488-R492 WeakPolarHBondContact O-CB 3.33Å; L488-R492 PolarHBondContact O-N 2.73Å; L488-W511 HydrophobicContact CD1-CB 4.08Å; L488-W511 HydrophobicContact CD1-CD2 4.46Å; L488-W511 HydrophobicContact CD1-CE3 4.02Å; L488-W511 HydrophobicContact CD2-CB 4.33Å; L488-S514 WeakPolarHBondContact CD1-OG 3.27Å; L488-L515 HydrophobicContact CD1-CD2 4.29Å
489A91.7Very high90.9Very high54 Ų5447.6 Ų47.645%0.44626%0.257SS..Hα-helixtrans-59.9-44.1175.700000111.2A485 P486 A487 R492A485-A489 PolarHBondContact O-N 2.88Å; A485-A489 VanDerWaalsContact O-N 3.09Å; P486-A489 WeakPolarHBondContact O-CB 3.34Å; P486-A489 PolarHBondContact O-N 3.28Å; A487-A489 PolarHBondContact O-N 2.76Å; A489-R492 PolarHBondContact O-N 3.27Å
490F93.1Very high91.2Very high26 Ų2647.6 Ų47.611%0.11426%0.257CS..Hα-helixtrans-62.4-49.8175.6174.2-99.2000112.8I465 A466 L468 P486 A487 L488 R492 E493 N494I465-F490 HydrophobicContact CG1-CD1 4.43Å; I465-F490 HydrophobicContact CG1-CE1 4.36Å; I465-F490 HydrophobicContact CG2-CD1 4.08Å; I465-F490 WeakPolarHBondContact O-CE1 3.22Å; A466-F490 HydrophobicContact CB-CB 4.18Å; A466-F490 HydrophobicContact CB-CD2 3.98Å; A466-F490 HydrophobicContact CB-CG 4.05Å; L468-F490 VanDerWaalsContact O-CZ 3.3Å; L468-F490 WeakPolarHBondContact O-CZ 3.19Å; P486-F490 PolarHBondContact O-N 3.12Å; A487-F490 PolarHBondContact O-N 2.72Å; L488-F490 VanDerWaalsContact C-N 3.32Å; L488-F490 PolarHBondContact O-N 2.81Å; F490-R492 VanDerWaalsContact C-N 3.27Å; F490-R492 PolarHBondContact O-N 3.37Å; F490-E493 PolarHBondContact O-N 3.27Å; F490-N494 VanDerWaalsContact CD2-ND2 3.31Å; F490-N494 WeakPolarHBondContact CD2-ND2 3.42Å; F490-N494 HydrophobicContact CE1-CB 4.4Å; F490-N494 HydrophobicContact CE2-CB 4.38Å; F490-N494 WeakPolarHBondContact CE2-ND2 3.33Å; F490-N494 HydrophobicContact CZ-CB 4.11Å; F490-N494 PolarHBondContact O-N 3.35Å; F490-N494 VanDerWaalsContact O-N 3.14Å; F490-N494 PolarHBondContact O-ND2 2.7Å
491L92.9Very high91.7Very high1 Ų148.6 Ų48.61%0.00525%0.252CS..Hα-helixtrans-63.8-34.3179.9-70.6-171.9000112.4I465 L471 L474 I483 A487 L488 E493 N494 L495 W511 L515I465-L491 HydrophobicContact CD1-CD2 3.88Å; I465-L491 HydrophobicContact CD1-CG 4.46Å; L471-L491 HydrophobicContact CD2-CD2 4.07Å; L474-L491 HydrophobicContact CD2-CD1 4.45Å; I483-L491 HydrophobicContact CD1-CD1 3.31Å; I483-L491 HydrophobicContact CD1-CG 4.14Å; A487-L491 PolarHBondContact O-N 3.32Å; L488-L491 PolarHBondContact O-N 2.8Å; L491-E493 PolarHBondContact O-N 2.97Å; L491-N494 PolarHBondContact O-N 2.92Å; L491-L495 VanDerWaalsContact O-CB 3.25Å; L491-L495 WeakPolarHBondContact O-CB 3.19Å; L491-L495 PolarHBondContact O-N 3.02Å; L491-W511 HydrophobicContact CD1-CZ3 4.33Å; L491-L515 HydrophobicContact CB-CD2 3.92Å
492R91.8Very high91.8Very high95 Ų9548.5 Ų48.536%0.35825%0.25SS..Hα-helixtrans-60.9-26.3178.9-174.2178.4-153.9-174.712.2113.4L488 A489 F490 S514 K516 T517L488-R492 WeakPolarHBondContact O-CB 3.33Å; L488-R492 PolarHBondContact O-N 2.73Å; A489-R492 PolarHBondContact O-N 3.27Å; F490-R492 VanDerWaalsContact C-N 3.27Å; F490-R492 PolarHBondContact O-N 3.37Å; R492-S514 WeakPolarHBondContact CG-O 3.46Å; R492-S514 PolarHBondContact NE-O 3.42Å; R492-K516 HydrophobicContact CG-CB 4.41Å; R492-T517 WeakPolarHBondContact O-CG2 3.32Å; R492-T517 PolarHBondContact O-OG1 3.48Å
493E89Confident91.8Very high146 Ų14646.2 Ų46.268%0.68225%0.249SC*.Hα-helixtrans-98.1-32.9-179.1-65.6-177.2177.800112.2F490 L491 T517F490-E493 PolarHBondContact O-N 3.27Å; L491-E493 PolarHBondContact O-N 2.97Å; E493-T517 WeakPolarHBondContact O-CG2 3.39Å; E493-T517 PolarHBondContact O-OG1 3.38Å
494N90.9Very high91.5Very high41 Ų4148.3 Ų48.322%0.21926%0.26CS..Hα-helixtrans-104-28.6-168.1-68.6-71.2000115.3F490 L491 K496F490-N494 VanDerWaalsContact CD2-ND2 3.31Å; F490-N494 WeakPolarHBondContact CD2-ND2 3.42Å; F490-N494 HydrophobicContact CE1-CB 4.4Å; F490-N494 HydrophobicContact CE2-CB 4.38Å; F490-N494 WeakPolarHBondContact CE2-ND2 3.33Å; F490-N494 HydrophobicContact CZ-CB 4.11Å; F490-N494 PolarHBondContact O-N 3.35Å; F490-N494 VanDerWaalsContact O-N 3.14Å; F490-N494 PolarHBondContact O-ND2 2.7Å; L491-N494 PolarHBondContact O-N 2.92Å; N494-K496 PolarHBondContact O-N 2.93Å
495L95.1Very high91.2Very high1 Ų145 Ų451%0.00525%0.245CC..  trans-77.5122.6-171.1-163.371.3000111.8L474 L491 L498 L515 T517 L518L474-L495 HydrophobicContact CB-CD1 3.74Å; L474-L495 HydrophobicContact CB-CD2 4.22Å; L491-L495 VanDerWaalsContact O-CB 3.25Å; L491-L495 WeakPolarHBondContact O-CB 3.19Å; L491-L495 PolarHBondContact O-N 3.02Å; L495-L498 HydrophobicContact CD2-CB 4.25Å; L495-L498 HydrophobicContact CD2-CD1 4.24Å; L495-L515 HydrophobicContact CD2-CD1 3.92Å; L495-T517 CarbonylContact O-C 3.44Å; L495-T517 PolarHBondContact O-OG1 3.05Å; L495-L518 HydrophobicContact CD2-CD1 4.34Å; L495-L518 HydrophobicContact CG-CD1 4.36Å
496K95.1Very high90.9Very high101 Ų10149.4 Ų49.444%0.43925%0.249SC..  trans-103.5-38.1-179.6-66.9-169.8176.8-174.30113.1K472 N494 E519 E520K472-K496 HydrophobicContact CD-CD 4.18Å; K472-K496 HydrophobicContact CD-CG 4.32Å; K472-K496 PolarHBondContact O-N 3.04Å; N494-K496 PolarHBondContact O-N 2.93Å; K496-E519 PolarHBondContact O-N 3.36Å; K496-E520 PolarHBondContact O-N 3.29Å
497S96.3Very high90.5Very high2 Ų247.8 Ų47.81%0.01424%0.235CC..EExtended strand (participates in β ladder)trans-125.8137.1178.6-173.60000111.6K472 E473 L474 H499 E520K472-S497 PolarHBondContact O-N 3Å; K472-S497 VanDerWaalsContact O-N 3.08Å; E473-S497 WeakPolarHBondContact CA-O 3.31Å; L474-S497 PolarHBondContact N-O 3.43Å; L474-S497 VanDerWaalsContact N-O 3.16Å; S497-H499 PolarHBondContact OG-CD2 3.04Å; S497-H499 PolarHBondContact OG-NE2 3.27Å; S497-E520 WeakPolarHBondContact CA-O 3.49Å
498L96.4Very high90.3Very high0 Ų048.1 Ų48.10%024%0.237CC..EExtended strand (participates in β ladder)trans-130.7125.3177.5-179.962.9000109.9L474 L476 L495 I500 I512 L515 L518 E520 L521 H522L474-L498 HydrophobicContact CB-CD1 4.06Å; L474-L498 HydrophobicContact CD2-CD1 4.21Å; L474-L498 HydrophobicContact CG-CD1 4.23Å; L474-L498 WeakPolarHBondContact O-CA 3.26Å; L474-L498 WeakPolarHBondContact O-CD1 3.29Å; L476-L498 HydrophobicContact CD1-CD1 4.39Å; L495-L498 HydrophobicContact CD2-CB 4.25Å; L495-L498 HydrophobicContact CD2-CD1 4.24Å; L498-I500 HydrophobicContact CD1-CG1 4.34Å; L498-I500 HydrophobicContact CD2-CD1 3.92Å; L498-I500 HydrophobicContact CD2-CG1 4.22Å; L498-I500 HydrophobicContact CG-CD1 4.19Å; L498-I500 HydrophobicContact CG-CG1 3.92Å; L498-I512 HydrophobicContact CD2-CB 4.01Å; L498-I512 HydrophobicContact CD2-CG2 3.58Å; L498-L515 HydrophobicContact CD2-CD1 4.08Å; L498-L518 HydrophobicContact CB-CD1 3.68Å; L498-L518 HydrophobicContact CB-CD2 4.24Å; L498-E520 PolarHBondContact N-O 3.04Å; L498-L521 HydrophobicContact CB-CD1 4.13Å; L498-L521 HydrophobicContact CD2-CD1 4.17Å; L498-L521 HydrophobicContact CG-CD1 4.24Å; L498-H522 PolarHBondContact O-N 3.24Å
499H96.1Very high90Very high20 Ų2046.9 Ų46.99%0.09323%0.231CC..EExtended strand (participates in β ladder)trans-111.5123.3175.7-64.2-113.8000109.6L474 W475 L476 Y477 S497 H522L474-H499 PolarHBondContact O-N 2.95Å; W475-H499 CarbonylContact C-O 3.12Å; W475-H499 WeakPolarHBondContact CA-O 3.43Å; W475-H499 HydrophobicContact CB-CB 4.06Å; W475-H499 AromaticContact CD1-CD2 3.87Å; W475-H499 HydrophobicContact CD2-CB 3.8Å; W475-H499 AromaticContact CD2-CG 3.72Å; W475-H499 AromaticContact CE2-CD2 3.57Å; W475-H499 AromaticContact CE2-CE1 3.93Å; W475-H499 AromaticContact CE2-CG 3.68Å; W475-H499 AromaticContact CE2-ND1 3.89Å; W475-H499 AromaticContact CE2-NE2 3.75Å; W475-H499 HydrophobicContact CE3-CB 4.2Å; W475-H499 HydrophobicContact CG-CB 3.76Å; W475-H499 AromaticContact CH2-CE1 4Å; W475-H499 AromaticContact CH2-ND1 3.97Å; W475-H499 AromaticContact CZ2-CE1 3.59Å; W475-H499 AromaticContact CZ2-ND1 3.82Å; W475-H499 AromaticContact CZ2-NE2 3.73Å; W475-H499 AromaticContact NE1-CD2 3.47Å; W475-H499 PolarHBondContact NE1-CD2 3.34Å; W475-H499 AromaticContact NE1-CG 3.97Å; W475-H499 AromaticContact NE1-NE2 3.83Å; L476-H499 PolarHBondContact N-O 3.41Å; Y477-H499 HydrophobicContact CE1-CB 4.13Å; S497-H499 PolarHBondContact OG-CD2 3.04Å; S497-H499 PolarHBondContact OG-NE2 3.27Å; H499-H522 HydrophobicContact CB-CB 4.28Å; H499-H522 AromaticContact CD2-CD2 3.96Å; H499-H522 AromaticContact CE1-CD2 3.28Å; H499-H522 PolarHBondContact CE1-CD2 2.99Å; H499-H522 AromaticContact CE1-CE1 3.77Å; H499-H522 AromaticContact CE1-CG 3.39Å; H499-H522 AromaticContact CE1-ND1 3.67Å; H499-H522 AromaticContact CE1-NE2 3.57Å; H499-H522 WeakPolarHBondContact ND1-CB 3.39Å; H499-H522 AromaticContact ND1-CD2 3.69Å; H499-H522 AromaticContact ND1-CG 3.42Å; H499-H522 AromaticContact ND1-ND1 3.91Å; H499-H522 AromaticContact NE2-CD2 3.46Å; H499-H522 PolarHBondContact NE2-CD2 3.39Å; H499-H522 AromaticContact NE2-CG 3.99Å; H499-H522 AromaticContact NE2-NE2 3.8Å
500I94.3Very high89.8Confident4 Ų450 Ų502%0.02124%0.24CC..EExtended strand (participates in β ladder)trans-124.2120.1177.5-47.2-179.2000107.9L476 L498 F502 I508 I512 H522 L523 T524L476-I500 WeakPolarHBondContact O-CA 3.28Å; L498-I500 HydrophobicContact CD1-CG1 4.34Å; L498-I500 HydrophobicContact CD2-CD1 3.92Å; L498-I500 HydrophobicContact CD2-CG1 4.22Å; L498-I500 HydrophobicContact CG-CD1 4.19Å; L498-I500 HydrophobicContact CG-CG1 3.92Å; I500-F502 HydrophobicContact CG2-CD1 4.01Å; I500-I508 HydrophobicContact CD1-CG2 4.42Å; I500-I512 HydrophobicContact CD1-CD1 3.95Å; I500-I512 HydrophobicContact CD1-CG2 4.02Å; I500-H522 PolarHBondContact N-O 3.24Å; I500-L523 HydrophobicContact CB-CD2 3.99Å; I500-L523 HydrophobicContact CD1-CD2 3.97Å; I500-L523 HydrophobicContact CG1-CD2 4.21Å; I500-T524 PolarHBondContact O-N 2.97Å
501K94.5Very high89.7Confident70 Ų7050.3 Ų50.330%0.30424%0.24SC..EExtended strand (participates in β ladder)trans-113.5123.6168.9-174.4-174.2178.9-160.40107.8L476 Y477 H478 T524L476-K501 PolarHBondContact O-N 3.29Å; Y477-K501 HydrophobicContact CD1-CB 3.54Å; Y477-K501 HydrophobicContact CD2-CB 4.48Å; Y477-K501 HydrophobicContact CD2-CD 4.05Å; Y477-K501 HydrophobicContact CE1-CB 3.88Å; Y477-K501 HydrophobicContact CE2-CD 4.27Å; Y477-K501 HydrophobicContact CG-CB 3.87Å; Y477-K501 HydrophobicContact CG-CD 4.17Å; H478-K501 PolarHBondContact N-O 2.84Å; H478-K501 WeakPolarHBondContact NE2-CE 3.11Å; K501-T524 CarbonylContact C-O 3.35Å; K501-T524 VanDerWaalsContact CA-O 3.22Å; K501-T524 WeakPolarHBondContact CA-O 3.48Å; K501-T524 HydrophobicContact CG-CG2 4.07Å
502F90.4Very high89.6Confident5 Ų550.3 Ų50.32%0.02224%0.24CC..  trans-138.5152.1-172.359.3-86.2000111.4I500 E507 I508 L523 T524 G525 L527I500-F502 HydrophobicContact CG2-CD1 4.01Å; F502-E507 WeakPolarHBondContact CA-OE2 3.32Å; F502-E507 HydrophobicContact CB-CB 4.08Å; F502-I508 HydrophobicContact CB-CG1 4.36Å; F502-I508 HydrophobicContact CD1-CD1 3.83Å; F502-I508 HydrophobicContact CD1-CG1 3.74Å; F502-I508 HydrophobicContact CD2-CD1 4.01Å; F502-I508 HydrophobicContact CD2-CG1 4.12Å; F502-I508 HydrophobicContact CE1-CD1 3.62Å; F502-I508 HydrophobicContact CE1-CG1 4.07Å; F502-I508 HydrophobicContact CE2-CD1 3.8Å; F502-I508 HydrophobicContact CE2-CG1 4.42Å; F502-I508 HydrophobicContact CG-CD1 4.04Å; F502-I508 HydrophobicContact CG-CG1 3.79Å; F502-I508 HydrophobicContact CZ-CD1 3.63Å; F502-I508 HydrophobicContact CZ-CG1 4.42Å; F502-L523 HydrophobicContact CE1-CB 4.36Å; F502-T524 WeakPolarHBondContact CD1-O 3.48Å; F502-T524 PolarHBondContact N-O 3.45Å; F502-G525 WeakPolarHBondContact O-CA 3.31Å; F502-L527 HydrophobicContact CE1-CD2 4.48Å; F502-L527 HydrophobicContact CE2-CD2 4.02Å; F502-L527 HydrophobicContact CZ-CD2 3.48Å; F502-L527 VanDerWaalsContact CZ-CD2 3.48Å; F502-L527 HydrophobicContact CZ-CG 3.96Å
503T87.6Confident89.4Confident98 Ų9847.2 Ų47.260%0.60123%0.228SC*.SBendtrans-96.3-51.5172.618.90000111H478 E507H478-T503 PolarHBondContact ND1-OG1 3.38Å; T503-E507 PolarHBondContact N-OE2 3.34Å; T503-E507 PolarHBondContact OG1-OE1 3.42Å; T503-E507 PolarHBondContact OG1-OE2 3.35Å
504D82.6Confident89.4Confident73 Ų7341.9 Ų41.939%0.3921%0.207SC..SBendtrans-103146.9173.5-167.8-3.5000110.5K506 E507D504-K506 PolarHBondContact O-N 3.08Å; D504-K506 PolarHBondContact OD1-N 3.11Å; D504-E507 HydrophobicContact CB-CG 4.5Å; D504-E507 PolarHBondContact N-OE1 3.49Å; D504-E507 WeakPolarHBondContact O-CB 3.39Å; D504-E507 PolarHBondContact O-N 2.73Å; D504-E507 VanDerWaalsContact O-N 3.14Å
505I78.6Confident89.5Confident12 Ų1240 Ų406%0.06220%0.197CC..G310 helixtrans-64.6-23178.3-150.2171.6000112.1E507 I508 N532 V536I505-E507 PolarHBondContact O-N 3.01Å; I505-I508 HydrophobicContact CG1-CD1 3.95Å; I505-I508 WeakPolarHBondContact O-CB 3.28Å; I505-I508 PolarHBondContact O-N 2.95Å; I505-N532 HydrophobicContact CD1-CB 4.22Å; I505-N532 HydrophobicContact CG2-CB 4.45Å; I505-V536 HydrophobicContact CD1-CB 4.06Å; I505-V536 HydrophobicContact CD1-CG2 3.95Å; I505-V536 HydrophobicContact CG1-CB 4.12Å; I505-V536 HydrophobicContact CG1-CG1 4.33Å; I505-V536 HydrophobicContact CG1-CG2 3.88Å
506K78.8Confident89.1Confident172 Ų17246 Ų4675%0.74822%0.223SC*.G310 helixtrans-68.2-21.2176.1-63.6178.8-174.5169.90113.5D504 I508D504-K506 PolarHBondContact O-N 3.08Å; D504-K506 PolarHBondContact OD1-N 3.11Å; K506-I508 PolarHBondContact O-N 3.48Å
507E82.3Confident89.1Confident44 Ų4442.5 Ų42.521%0.20621%0.21CC..G310 helixtrans-72.6-18.4176.2-65165.2-150.500111.6F502 T503 D504 I505 P509F502-E507 WeakPolarHBondContact CA-OE2 3.32Å; F502-E507 HydrophobicContact CB-CB 4.08Å; T503-E507 PolarHBondContact N-OE2 3.34Å; T503-E507 PolarHBondContact OG1-OE1 3.42Å; T503-E507 PolarHBondContact OG1-OE2 3.35Å; D504-E507 HydrophobicContact CB-CG 4.5Å; D504-E507 PolarHBondContact N-OE1 3.49Å; D504-E507 WeakPolarHBondContact O-CB 3.39Å; D504-E507 PolarHBondContact O-N 2.73Å; D504-E507 VanDerWaalsContact O-N 3.14Å; I505-E507 PolarHBondContact O-N 3.01Å; E507-P509 WeakPolarHBondContact O-CD 3.33Å
508I86.6Confident89Confident8 Ų842.4 Ų42.44%0.04121%0.21CC..SBendtrans-73.6115.4178-56.7174.4000108.9I500 F502 I505 K506 I512 L527 V536I500-I508 HydrophobicContact CD1-CG2 4.42Å; F502-I508 HydrophobicContact CB-CG1 4.36Å; F502-I508 HydrophobicContact CD1-CD1 3.83Å; F502-I508 HydrophobicContact CD1-CG1 3.74Å; F502-I508 HydrophobicContact CD2-CD1 4.01Å; F502-I508 HydrophobicContact CD2-CG1 4.12Å; F502-I508 HydrophobicContact CE1-CD1 3.62Å; F502-I508 HydrophobicContact CE1-CG1 4.07Å; F502-I508 HydrophobicContact CE2-CD1 3.8Å; F502-I508 HydrophobicContact CE2-CG1 4.42Å; F502-I508 HydrophobicContact CG-CD1 4.04Å; F502-I508 HydrophobicContact CG-CG1 3.79Å; F502-I508 HydrophobicContact CZ-CD1 3.63Å; F502-I508 HydrophobicContact CZ-CG1 4.42Å; I505-I508 HydrophobicContact CG1-CD1 3.95Å; I505-I508 WeakPolarHBondContact O-CB 3.28Å; I505-I508 PolarHBondContact O-N 2.95Å; K506-I508 PolarHBondContact O-N 3.48Å; I508-I512 HydrophobicContact CG2-CD1 3.75Å; I508-L527 HydrophobicContact CD1-CD2 4.33Å; I508-V536 HydrophobicContact CB-CG1 3.86Å; I508-V536 HydrophobicContact CD1-CG1 3.76Å; I508-V536 HydrophobicContact CG1-CG1 4.42Å; I508-V536 HydrophobicContact CG2-CG1 3.65Å
509P86.9Confident89Confident12 Ų1244.9 Ų44.98%0.07822%0.221CC..  trans-75.5135.4-176.8-13.729.7000111.9L476 E507 W511 I512L476-P509 HydrophobicContact CD1-CG 4.4Å; E507-P509 WeakPolarHBondContact O-CD 3.33Å; P509-W511 VanDerWaalsContact CB-CD1 3.43Å; P509-W511 HydrophobicContact CB-CD2 4.09Å; P509-W511 VanDerWaalsContact CB-CE2 3.44Å; P509-W511 HydrophobicContact CB-CG 4.07Å; P509-W511 HydrophobicContact CB-CZ2 3.97Å; P509-W511 HydrophobicContact CG-CZ2 3.94Å; P509-W511 PolarHBondContact O-N 3.05Å; P509-I512 HydrophobicContact CB-CG2 4.44Å; P509-I512 WeakPolarHBondContact O-CG1 3.35Å; P509-I512 WeakPolarHBondContact O-CG2 3.4Å; P509-I512 PolarHBondContact O-N 3.17Å
510L87.1Confident89Confident120 Ų12047.1 Ų47.163%0.62823%0.232SC*.G310 helixtrans-70.3-17.4-179.3-60.8177.9000113.7I512 Y513L510-I512 PolarHBondContact O-N 3.47Å; L510-Y513 HydrophobicContact CD2-CE2 4.02Å; L510-Y513 WeakPolarHBondContact O-CD2 3.43Å
511W89.6Confident89Confident31 Ų3147 Ų4712%0.11723%0.231CC..G310 helixtrans-69.6-14.2179.356.4-104.8000113.1L474 L476 A481 I483 L488 L491 P509 Y513 S514 L515L474-W511 HydrophobicContact CD2-CH2 4.38Å; L476-W511 HydrophobicContact CD1-CH2 4.19Å; L476-W511 HydrophobicContact CD1-CZ2 4.1Å; A481-W511 HydrophobicContact CB-CZ2 4.21Å; A481-W511 PolarHBondContact O-NE1 2.88Å; I483-W511 HydrophobicContact CG2-CB 3.99Å; I483-W511 VanDerWaalsContact CG2-CD1 3.46Å; I483-W511 HydrophobicContact CG2-CD2 3.79Å; I483-W511 HydrophobicContact CG2-CG 3.49Å; I483-W511 VanDerWaalsContact CG2-CG 3.49Å; L488-W511 HydrophobicContact CD1-CB 4.08Å; L488-W511 HydrophobicContact CD1-CD2 4.46Å; L488-W511 HydrophobicContact CD1-CE3 4.02Å; L488-W511 HydrophobicContact CD2-CB 4.33Å; L491-W511 HydrophobicContact CD1-CZ3 4.33Å; P509-W511 VanDerWaalsContact CB-CD1 3.43Å; P509-W511 HydrophobicContact CB-CD2 4.09Å; P509-W511 VanDerWaalsContact CB-CE2 3.44Å; P509-W511 HydrophobicContact CB-CG 4.07Å; P509-W511 HydrophobicContact CB-CZ2 3.97Å; P509-W511 HydrophobicContact CG-CZ2 3.94Å; P509-W511 PolarHBondContact O-N 3.05Å; W511-Y513 PolarHBondContact O-N 3.46Å; W511-S514 WeakPolarHBondContact O-CB 3.49Å; W511-S514 PolarHBondContact O-N 3.07Å; W511-S514 PolarHBondContact O-OG 3.43Å; W511-L515 HydrophobicContact CE3-CD1 4.41Å; W511-L515 HydrophobicContact CE3-CG 4.5Å; W511-L515 HydrophobicContact CZ3-CD1 4.02Å; W511-L515 HydrophobicContact CZ3-CD2 4.48Å
512I90.8Very high89.1Confident1 Ų144.9 Ų44.91%0.00522%0.222CC..G310 helixtrans-59.6-33.618069.7-178.8000112.2L498 I500 I508 P509 L510 S514 L515L498-I512 HydrophobicContact CD2-CB 4.01Å; L498-I512 HydrophobicContact CD2-CG2 3.58Å; I500-I512 HydrophobicContact CD1-CD1 3.95Å; I500-I512 HydrophobicContact CD1-CG2 4.02Å; I508-I512 HydrophobicContact CG2-CD1 3.75Å; P509-I512 HydrophobicContact CB-CG2 4.44Å; P509-I512 WeakPolarHBondContact O-CG1 3.35Å; P509-I512 WeakPolarHBondContact O-CG2 3.4Å; P509-I512 PolarHBondContact O-N 3.17Å; L510-I512 PolarHBondContact O-N 3.47Å; I512-S514 PolarHBondContact O-N 3.36Å; I512-L515 VanDerWaalsContact O-CB 3.3Å; I512-L515 WeakPolarHBondContact O-CB 3.37Å; I512-L515 WeakPolarHBondContact O-CG 3.3Å; I512-L515 PolarHBondContact O-N 2.91Å
513Y87.9Confident89.2Confident30 Ų3045.1 Ų45.112%0.11822%0.224CC..G310 helixtrans-71.9-13.9-179.7-45.6-58.9000112.9L510 W511 L515 V536 G539 L540 E542L510-Y513 HydrophobicContact CD2-CE2 4.02Å; L510-Y513 WeakPolarHBondContact O-CD2 3.43Å; W511-Y513 PolarHBondContact O-N 3.46Å; Y513-L515 VanDerWaalsContact C-N 3.32Å; Y513-V536 WeakPolarHBondContact CE1-O 3.42Å; Y513-V536 WeakPolarHBondContact OH-CG1 3.5Å; Y513-V536 PolarHBondContact OH-O 3.33Å; Y513-G539 WeakPolarHBondContact CB-O 3.47Å; Y513-G539 VanDerWaalsContact CD1-CA 3.43Å; Y513-G539 WeakPolarHBondContact CD1-O 3.43Å; Y513-L540 HydrophobicContact CD1-CD2 4.47Å; Y513-L540 HydrophobicContact CE1-CD2 4.12Å; Y513-E542 WeakPolarHBondContact O-CB 3.41Å
514S90.4Very high89.5Confident34 Ų3441.9 Ų41.924%0.23820%0.204CC..G310 helixtrans-81.8-13176.277.20000113.1L488 R492 W511 I512 K516L488-S514 WeakPolarHBondContact CD1-OG 3.27Å; R492-S514 WeakPolarHBondContact CG-O 3.46Å; R492-S514 PolarHBondContact NE-O 3.42Å; W511-S514 WeakPolarHBondContact O-CB 3.49Å; W511-S514 PolarHBondContact O-N 3.07Å; W511-S514 PolarHBondContact O-OG 3.43Å; I512-S514 PolarHBondContact O-N 3.36Å; S514-K516 PolarHBondContact O-N 3.42Å
515L91.6Very high89.8Confident1 Ų139 Ų391%0.00519%0.191CC..  trans-74.898.3-177.8-59173.9000111.3L488 L491 L495 L498 W511 I512 Y513 L518 L543L488-L515 HydrophobicContact CD1-CD2 4.29Å; L491-L515 HydrophobicContact CB-CD2 3.92Å; L495-L515 HydrophobicContact CD2-CD1 3.92Å; L498-L515 HydrophobicContact CD2-CD1 4.08Å; W511-L515 HydrophobicContact CE3-CD1 4.41Å; W511-L515 HydrophobicContact CE3-CG 4.5Å; W511-L515 HydrophobicContact CZ3-CD1 4.02Å; W511-L515 HydrophobicContact CZ3-CD2 4.48Å; I512-L515 VanDerWaalsContact O-CB 3.3Å; I512-L515 WeakPolarHBondContact O-CB 3.37Å; I512-L515 WeakPolarHBondContact O-CG 3.3Å; I512-L515 PolarHBondContact O-N 2.91Å; Y513-L515 VanDerWaalsContact C-N 3.32Å; L515-L518 HydrophobicContact CB-CB 4.13Å; L515-L518 HydrophobicContact CD1-CD2 4.44Å; L515-L543 WeakPolarHBondContact O-CD2 3.33Å
516K88.1Confident90.1Very high127 Ų12741.9 Ų41.955%0.55221%0.207SC*.THydrogen-bonded Turntrans-77-25.1-173-73.9178166.81710114.1R492 S514 R545R492-K516 HydrophobicContact CG-CB 4.41Å; S514-K516 PolarHBondContact O-N 3.42Å; K516-R545 WeakPolarHBondContact O-CD 3.37Å
517T93.9Very high90Very high28 Ų2834 Ų3417%0.17217%0.173CC..THydrogen-bonded Turntrans-94.40.2-177.255.70000113.9R492 E493 L495 E519R492-T517 WeakPolarHBondContact O-CG2 3.32Å; R492-T517 PolarHBondContact O-OG1 3.48Å; E493-T517 WeakPolarHBondContact O-CG2 3.39Å; E493-T517 PolarHBondContact O-OG1 3.38Å; L495-T517 CarbonylContact O-C 3.44Å; L495-T517 PolarHBondContact O-OG1 3.05Å; T517-E519 PolarHBondContact O-N 3.17Å
518L95.4Very high89.2Confident1 Ų133.9 Ų33.91%0.00518%0.177CC..  trans-64.8122.2-178.9-165.873.2000111L495 L498 L515 L521 L543 R545 L546L495-L518 HydrophobicContact CD2-CD1 4.34Å; L495-L518 HydrophobicContact CG-CD1 4.36Å; L498-L518 HydrophobicContact CB-CD1 3.68Å; L498-L518 HydrophobicContact CB-CD2 4.24Å; L515-L518 HydrophobicContact CB-CB 4.13Å; L515-L518 HydrophobicContact CD1-CD2 4.44Å; L518-L521 HydrophobicContact CD2-CB 4.28Å; L518-L521 HydrophobicContact CD2-CD1 4.2Å; L518-L543 HydrophobicContact CB-CD2 4.44Å; L518-L543 HydrophobicContact CD2-CD1 4.15Å; L518-L543 HydrophobicContact CD2-CD2 4.34Å; L518-R545 CarbonylContact O-C 3.58Å; L518-L546 PolarHBondContact O-N 3.12Å
519E95.2Very high87.7Confident51 Ų5135.8 Ų35.824%0.23819%0.193CC..  trans-104.7-31.5-179.8-59-166.3-173.200112K496 T517 K547 V548K496-E519 PolarHBondContact O-N 3.36Å; T517-E519 PolarHBondContact O-N 3.17Å; E519-K547 PolarHBondContact O-N 3.14Å; E519-K547 IonicContact OE1-NZ 2.78Å; E519-K547 IonicContact OE2-NZ 2.73Å; E519-K547 PolarHBondContact OE2-NZ 2.93Å; E519-V548 PolarHBondContact O-N 3.3Å
520E96.2Very high86.2Confident68 Ų6842.7 Ų42.732%0.31823%0.225SC..EExtended strand (participates in β ladder)trans-127130.7-177.7-49.5-168.6164.300111.3K496 S497 L498 H522 V548K496-E520 PolarHBondContact O-N 3.29Å; S497-E520 WeakPolarHBondContact CA-O 3.49Å; L498-E520 PolarHBondContact N-O 3.04Å; E520-H522 IonicContact OE2-NE2 3.48Å; E520-V548 WeakPolarHBondContact CA-O 3.47Å; E520-V548 HydrophobicContact CB-CB 4.06Å; E520-V548 HydrophobicContact CG-CB 3.85Å; E520-V548 HydrophobicContact CG-CG2 3.89Å
521L95.5Very high84.5Confident0 Ų044.3 Ų44.30%023%0.234CC..EExtended strand (participates in β ladder)trans-130.5124.6176.5-178.365.3000110.6L498 L518 L523 L540 L543 L546 V548 L549 R550L498-L521 HydrophobicContact CB-CD1 4.13Å; L498-L521 HydrophobicContact CD2-CD1 4.17Å; L498-L521 HydrophobicContact CG-CD1 4.24Å; L518-L521 HydrophobicContact CD2-CB 4.28Å; L518-L521 HydrophobicContact CD2-CD1 4.2Å; L521-L523 HydrophobicContact CD1-CD2 3.96Å; L521-L523 HydrophobicContact CD1-CG 4.43Å; L521-L523 HydrophobicContact CD2-CD1 4.17Å; L521-L523 HydrophobicContact CD2-CD2 4.32Å; L521-L523 HydrophobicContact CD2-CG 4.17Å; L521-L523 HydrophobicContact CG-CD2 4.12Å; L521-L523 HydrophobicContact CG-CG 4.04Å; L521-L540 HydrophobicContact CD2-CD2 3.32Å; L521-L543 HydrophobicContact CD2-CD1 4.13Å; L521-L546 HydrophobicContact CB-CD1 3.68Å; L521-V548 PolarHBondContact N-O 3.26Å; L521-L549 HydrophobicContact CB-CD1 4.15Å; L521-L549 HydrophobicContact CD2-CD1 4.11Å; L521-L549 HydrophobicContact CG-CD1 4.28Å; L521-R550 PolarHBondContact O-N 3.28Å
522H95.3Very high82.6Confident27 Ų2745.6 Ų45.613%0.12524%0.243CC..EExtended strand (participates in β ladder)trans-116110.6178-62-106.7000109.5L498 H499 I500 E520 R550L498-H522 PolarHBondContact O-N 3.24Å; H499-H522 HydrophobicContact CB-CB 4.28Å; H499-H522 AromaticContact CD2-CD2 3.96Å; H499-H522 AromaticContact CE1-CD2 3.28Å; H499-H522 PolarHBondContact CE1-CD2 2.99Å; H499-H522 AromaticContact CE1-CE1 3.77Å; H499-H522 AromaticContact CE1-CG 3.39Å; H499-H522 AromaticContact CE1-ND1 3.67Å; H499-H522 AromaticContact CE1-NE2 3.57Å; H499-H522 WeakPolarHBondContact ND1-CB 3.39Å; H499-H522 AromaticContact ND1-CD2 3.69Å; H499-H522 AromaticContact ND1-CG 3.42Å; H499-H522 AromaticContact ND1-ND1 3.91Å; H499-H522 AromaticContact NE2-CD2 3.46Å; H499-H522 PolarHBondContact NE2-CD2 3.39Å; H499-H522 AromaticContact NE2-CG 3.99Å; H499-H522 AromaticContact NE2-NE2 3.8Å; I500-H522 PolarHBondContact N-O 3.24Å; E520-H522 IonicContact OE2-NE2 3.48Å; H522-R550 WeakPolarHBondContact CA-O 3.28Å
523L92.6Very high80.9Confident9 Ų950.2 Ų50.25%0.04726%0.261CS..EExtended strand (participates in β ladder)trans-108.4119.3176.1-59.7179.9000109.3I500 F502 L521 R550 L551 K552I500-L523 HydrophobicContact CB-CD2 3.99Å; I500-L523 HydrophobicContact CD1-CD2 3.97Å; I500-L523 HydrophobicContact CG1-CD2 4.21Å; F502-L523 HydrophobicContact CE1-CB 4.36Å; L521-L523 HydrophobicContact CD1-CD2 3.96Å; L521-L523 HydrophobicContact CD1-CG 4.43Å; L521-L523 HydrophobicContact CD2-CD1 4.17Å; L521-L523 HydrophobicContact CD2-CD2 4.32Å; L521-L523 HydrophobicContact CD2-CG 4.17Å; L521-L523 HydrophobicContact CG-CD2 4.12Å; L521-L523 HydrophobicContact CG-CG 4.04Å; L523-R550 PolarHBondContact N-O 2.86Å; L523-L551 HydrophobicContact CB-CD2 3.98Å; L523-L551 HydrophobicContact CD1-CD2 3.96Å; L523-L551 HydrophobicContact CG-CD2 4.31Å; L523-K552 PolarHBondContact O-N 3.39Å
524T93.9Very high79.2Confident31 Ų3155.4 Ų55.419%0.1928%0.281CS..EExtended strand (participates in β ladder)trans-123.3114.2176.8-58.40000110I500 K501 F502 K552I500-T524 PolarHBondContact O-N 2.97Å; K501-T524 CarbonylContact C-O 3.35Å; K501-T524 VanDerWaalsContact CA-O 3.22Å; K501-T524 WeakPolarHBondContact CA-O 3.48Å; K501-T524 HydrophobicContact CG-CG2 4.07Å; F502-T524 WeakPolarHBondContact CD1-O 3.48Å; F502-T524 PolarHBondContact N-O 3.45Å; T524-K552 WeakPolarHBondContact CA-O 3.42Å; T524-K552 HydrophobicContact CG2-CB 4.08Å; T524-K552 HydrophobicContact CG2-CD 3.85Å; T524-K552 HydrophobicContact CG2-CG 4.13Å
525G89.3Confident77.6Confident12 Ų1259.4 Ų59.412%0.12430%0.298CS..SBendtrans155.1168.2-177.700000111.5F502 L527 K552 S553F502-G525 WeakPolarHBondContact O-CA 3.31Å; G525-L527 PolarHBondContact O-N 3.25Å; G525-K552 PolarHBondContact N-O 3.41Å; G525-S553 WeakPolarHBondContact O-CA 3.41Å; G525-S553 WeakPolarHBondContact O-CB 3.32Å; G525-S553 PolarHBondContact O-OG 3.43Å
526N84.5Confident76.2Confident72 Ų7260.1 Ų60.139%0.38530%0.303SS..  trans-78.8114.8-177.3-168.25.4000111.5S528N526-S528 PolarHBondContact ND2-OG 3.48Å; N526-S528 WeakPolarHBondContact OD1-CB 3.28Å; N526-S528 PolarHBondContact OD1-N 3.46Å; N526-S528 PolarHBondContact OD1-OG 3.48Å
527L77.2Confident75.3Confident8 Ų854.6 Ų54.64%0.04228%0.279CS..  trans-96.41.2177.3-64.7168.5000112.1F502 I508 G525 A529 I537 S553 L555F502-L527 HydrophobicContact CE1-CD2 4.48Å; F502-L527 HydrophobicContact CE2-CD2 4.02Å; F502-L527 HydrophobicContact CZ-CD2 3.48Å; F502-L527 VanDerWaalsContact CZ-CD2 3.48Å; F502-L527 HydrophobicContact CZ-CG 3.96Å; I508-L527 HydrophobicContact CD1-CD2 4.33Å; G525-L527 PolarHBondContact O-N 3.25Å; L527-A529 VanDerWaalsContact C-N 3.3Å; L527-A529 PolarHBondContact O-N 3.32Å; L527-I537 HydrophobicContact CB-CD1 4.44Å; L527-I537 HydrophobicContact CD1-CD1 3.93Å; L527-I537 HydrophobicContact CD2-CD1 4.17Å; L527-I537 HydrophobicContact CG-CD1 4.41Å; L527-S553 WeakPolarHBondContact CB-OG 3.3Å; L527-S553 WeakPolarHBondContact CG-OG 3.39Å; L527-S553 PolarHBondContact N-OG 3.41Å; L527-L555 HydrophobicContact CB-CD2 4.15Å; L527-L555 HydrophobicContact CD1-CD2 4.21Å
528S65.6Low74.4Confident41 Ų4157.2 Ų57.229%0.28729%0.292SS..  trans-81.63.2-168.983.10000115.1N526 E530N526-S528 PolarHBondContact ND2-OG 3.48Å; N526-S528 WeakPolarHBondContact OD1-CB 3.28Å; N526-S528 PolarHBondContact OD1-N 3.46Å; N526-S528 PolarHBondContact OD1-OG 3.48Å; S528-E530 PolarHBondContact O-N 3.23Å
529A55.7Low73.6Confident47 Ų4758 Ų5839%0.38830%0.3SS..  trans-58.9109.7-178.200000110.4L527 N531 N532L527-A529 VanDerWaalsContact C-N 3.3Å; L527-A529 PolarHBondContact O-N 3.32Å; A529-N531 PolarHBondContact O-N 3.29Å; A529-N532 PolarHBondContact O-N 3.37Å
530E54.8Low73.1Confident158 Ų15855.6 Ų55.674%0.73829%0.289SS*.THydrogen-bonded Turntrans-57.5-17-167.5-71162.3157.900114.1S528S528-E530 PolarHBondContact O-N 3.23Å
531N50.2Low72.6Confident153 Ų15360.7 Ų60.782%0.81831%0.305SS*.THydrogen-bonded Turntrans-95.5-11.4-179.8-65-19.9000114.8A529A529-N531 PolarHBondContact O-N 3.29Å
532N51.3Low72.3Confident58 Ų5866 Ų6631%0.3133%0.33SS..  trans-134.825.7-173.4-77.1-29.7000114.2I505 A529 Y534I505-N532 HydrophobicContact CD1-CB 4.22Å; I505-N532 HydrophobicContact CG2-CB 4.45Å; A529-N532 PolarHBondContact O-N 3.37Å; N532-Y534 PolarHBondContact O-N 3.2Å
533R54.2Low72Confident99 Ų9964.9 Ų64.937%0.37433%0.325SS..THydrogen-bonded Turntrans-54.5-19.9-175.5-86.2-177.1176.1165.93.5116
534Y53.1Low71.8Confident139 Ų13971.7 Ų71.755%0.54535%0.354SS..THydrogen-bonded Turntrans-120.4-39.9-168.3-54.4-66.7000113.3N532 V536 I537 D538N532-Y534 PolarHBondContact O-N 3.2Å; Y534-V536 VanDerWaalsContact C-N 3.34Å; Y534-V536 PolarHBondContact O-N 2.92Å; Y534-V536 VanDerWaalsContact O-N 3.12Å; Y534-I537 PolarHBondContact O-N 3.2Å; Y534-I537 VanDerWaalsContact O-N 3.11Å; Y534-D538 VanDerWaalsContact C-OD2 3.24Å; Y534-D538 WeakPolarHBondContact CB-OD2 3.49Å; Y534-D538 VanDerWaalsContact O-CB 3.25Å; Y534-D538 WeakPolarHBondContact O-CB 3.44Å; Y534-D538 PolarHBondContact O-N 3.01Å
535I55.8Low71.7Confident117 Ų11777.6 Ų77.660%0.637%0.373SS*.THydrogen-bonded Turntrans-58.5-40-168.2-59.6172.4000113.7
536V61.9Low71.9Confident17 Ų1777.1 Ų77.110%0.10337%0.367CS..THydrogen-bonded Turntrans-87.4-24-176.9-174.40000112I505 I508 Y513 Y534I505-V536 HydrophobicContact CD1-CB 4.06Å; I505-V536 HydrophobicContact CD1-CG2 3.95Å; I505-V536 HydrophobicContact CG1-CB 4.12Å; I505-V536 HydrophobicContact CG1-CG1 4.33Å; I505-V536 HydrophobicContact CG1-CG2 3.88Å; I508-V536 HydrophobicContact CB-CG1 3.86Å; I508-V536 HydrophobicContact CD1-CG1 3.76Å; I508-V536 HydrophobicContact CG1-CG1 4.42Å; I508-V536 HydrophobicContact CG2-CG1 3.65Å; Y513-V536 WeakPolarHBondContact CE1-O 3.42Å; Y513-V536 WeakPolarHBondContact OH-CG1 3.5Å; Y513-V536 PolarHBondContact OH-O 3.33Å; Y534-V536 VanDerWaalsContact C-N 3.34Å; Y534-V536 PolarHBondContact O-N 2.92Å; Y534-V536 VanDerWaalsContact O-N 3.12Å
537I70.3Confident72.4Confident11 Ų1177.1 Ų77.16%0.05636%0.364CS..THydrogen-bonded Turntrans-94-23.6-179.7-45.8-178.6000110.7L527 Y534 G539 L540 P559 V561 V562L527-I537 HydrophobicContact CB-CD1 4.44Å; L527-I537 HydrophobicContact CD1-CD1 3.93Å; L527-I537 HydrophobicContact CD2-CD1 4.17Å; L527-I537 HydrophobicContact CG-CD1 4.41Å; Y534-I537 PolarHBondContact O-N 3.2Å; Y534-I537 VanDerWaalsContact O-N 3.11Å; I537-G539 PolarHBondContact O-N 3.29Å; I537-G539 VanDerWaalsContact O-N 3.14Å; I537-L540 HydrophobicContact CG2-CD1 3.39Å; I537-L540 HydrophobicContact CG2-CG 3.95Å; I537-L540 VanDerWaalsContact O-CB 3.27Å; I537-L540 WeakPolarHBondContact O-CB 3.48Å; I537-L540 VanDerWaalsContact O-CG 3.3Å; I537-L540 WeakPolarHBondContact O-CG 3.44Å; I537-L540 PolarHBondContact O-N 3.35Å; I537-P559 HydrophobicContact CD1-CG 4.2Å; I537-V561 HydrophobicContact CB-CG1 3.9Å; I537-V561 HydrophobicContact CG2-CG1 3.37Å; I537-V561 WeakPolarHBondContact O-CG1 3.3Å; I537-V561 VanDerWaalsContact O-CG2 3.32Å; I537-V561 WeakPolarHBondContact O-CG2 3.47Å; I537-V562 HydrophobicContact CG2-CG2 4.35Å
538D74Confident73.3Confident83 Ų8377.8 Ų77.844%0.44437%0.369SS..G310 helixtrans-57-31.7178.9-73-19.4000112.5Y534 L540 R541Y534-D538 VanDerWaalsContact C-OD2 3.24Å; Y534-D538 WeakPolarHBondContact CB-OD2 3.49Å; Y534-D538 VanDerWaalsContact O-CB 3.25Å; Y534-D538 WeakPolarHBondContact O-CB 3.44Å; Y534-D538 PolarHBondContact O-N 3.01Å; D538-L540 PolarHBondContact O-N 2.99Å; D538-R541 PolarHBondContact O-N 3.45Å
539G79.4Confident74.7Confident16 Ų1676 Ų7617%0.16536%0.355CS..G310 helixtrans-63.9-1917500000114.7Y513 I537 R541 E542Y513-G539 WeakPolarHBondContact CB-O 3.47Å; Y513-G539 VanDerWaalsContact CD1-CA 3.43Å; Y513-G539 WeakPolarHBondContact CD1-O 3.43Å; I537-G539 PolarHBondContact O-N 3.29Å; I537-G539 VanDerWaalsContact O-N 3.14Å; G539-R541 PolarHBondContact O-N 3.24Å; G539-R541 VanDerWaalsContact O-N 3.07Å; G539-E542 PolarHBondContact O-N 3.02Å; G539-E542 VanDerWaalsContact O-N 3.13Å
540L83.9Confident76.6Confident2 Ų278.3 Ų78.31%0.0135%0.354CS..G310 helixtrans-60-21.9177.5-66.4-174.6000112.6Y513 L521 I537 D538 E542 L543 L549 V561 V565Y513-L540 HydrophobicContact CD1-CD2 4.47Å; Y513-L540 HydrophobicContact CE1-CD2 4.12Å; L521-L540 HydrophobicContact CD2-CD2 3.32Å; I537-L540 HydrophobicContact CG2-CD1 3.39Å; I537-L540 HydrophobicContact CG2-CG 3.95Å; I537-L540 VanDerWaalsContact O-CB 3.27Å; I537-L540 WeakPolarHBondContact O-CB 3.48Å; I537-L540 VanDerWaalsContact O-CG 3.3Å; I537-L540 WeakPolarHBondContact O-CG 3.44Å; I537-L540 PolarHBondContact O-N 3.35Å; D538-L540 PolarHBondContact O-N 2.99Å; L540-E542 PolarHBondContact O-N 2.99Å; L540-L543 HydrophobicContact CD2-CD1 3.69Å; L540-L543 WeakPolarHBondContact O-CB 3.42Å; L540-L543 PolarHBondContact O-N 3.43Å; L540-L549 HydrophobicContact CD1-CD2 4.42Å; L540-V561 HydrophobicContact CB-CG2 4.03Å; L540-V565 HydrophobicContact CB-CG2 4.18Å; L540-V565 WeakPolarHBondContact O-CG2 3.48Å
541R86.6Confident78.4Confident174 Ų17470.9 Ų70.966%0.65732%0.32SS*.G310 helixtrans-58.1-28.7177.1-166.7176.9-170.6179.82.1113.2D538 G539 L543 V561D538-R541 PolarHBondContact O-N 3.45Å; G539-R541 PolarHBondContact O-N 3.24Å; G539-R541 VanDerWaalsContact O-N 3.07Å; R541-L543 VanDerWaalsContact C-N 3.3Å; R541-L543 PolarHBondContact O-N 2.96Å; R541-V561 HydrophobicContact CB-CG2 4.37Å
542E88.4Confident80.5Confident113 Ų11366.5 Ų66.553%0.52829%0.293SS..G310 helixtrans-76.1-17.9179.8-63.5-55.5138.500113.1Y513 G539 L540 K544Y513-E542 WeakPolarHBondContact O-CB 3.41Å; G539-E542 PolarHBondContact O-N 3.02Å; G539-E542 VanDerWaalsContact O-N 3.13Å; L540-E542 PolarHBondContact O-N 2.99Å; E542-K544 VanDerWaalsContact C-N 3.26Å; E542-K544 PolarHBondContact O-N 3Å
543L89.6Confident82.2Confident2 Ų263.8 Ų63.81%0.0128%0.279CS..  trans-81.667.3-178.7-58.2177.4000111.5L515 L518 L521 L540 R541 R545 L546L515-L543 WeakPolarHBondContact O-CD2 3.33Å; L518-L543 HydrophobicContact CB-CD2 4.44Å; L518-L543 HydrophobicContact CD2-CD1 4.15Å; L518-L543 HydrophobicContact CD2-CD2 4.34Å; L521-L543 HydrophobicContact CD2-CD1 4.13Å; L540-L543 HydrophobicContact CD2-CD1 3.69Å; L540-L543 WeakPolarHBondContact O-CB 3.42Å; L540-L543 PolarHBondContact O-N 3.43Å; R541-L543 VanDerWaalsContact C-N 3.3Å; R541-L543 PolarHBondContact O-N 2.96Å; L543-R545 PolarHBondContact O-N 2.82Å; L543-R545 VanDerWaalsContact O-N 3.13Å; L543-L546 HydrophobicContact CB-CB 4.12Å; L543-L546 VanDerWaalsContact O-CB 3.3Å; L543-L546 WeakPolarHBondContact O-CB 3.27Å; L543-L546 PolarHBondContact O-N 3.27Å; L543-L546 VanDerWaalsContact O-N 3.14Å
544K87.5Confident83.8Confident153 Ų15361.5 Ų61.567%0.66527%0.274SS*.THydrogen-bonded Turntrans-63.8-18.9-174.5-61.8-177-176.8-1780114.9E542E542-K544 VanDerWaalsContact C-N 3.26Å; E542-K544 PolarHBondContact O-N 3Å
545R91.8Very high85.3Confident155 Ų15555.4 Ų55.459%0.58525%0.251SS*.THydrogen-bonded Turntrans-98.43.9179.5-70.8-166.8171.8-171.80.6114K516 L518 L543 K547K516-R545 WeakPolarHBondContact O-CD 3.37Å; L518-R545 CarbonylContact O-C 3.58Å; L543-R545 PolarHBondContact O-N 2.82Å; L543-R545 VanDerWaalsContact O-N 3.13Å; R545-K547 PolarHBondContact O-N 3.07Å
546L93.8Very high86.7Confident1 Ų152.9 Ų52.91%0.00524%0.241CC..  trans-65.7118.7-178.3-165.771.8000110.8L518 L521 L543 L549 V565 L569L518-L546 PolarHBondContact O-N 3.12Å; L521-L546 HydrophobicContact CB-CD1 3.68Å; L543-L546 HydrophobicContact CB-CB 4.12Å; L543-L546 VanDerWaalsContact O-CB 3.3Å; L543-L546 WeakPolarHBondContact O-CB 3.27Å; L543-L546 PolarHBondContact O-N 3.27Å; L543-L546 VanDerWaalsContact O-N 3.14Å; L546-L549 HydrophobicContact CD2-CB 4.21Å; L546-L549 HydrophobicContact CD2-CD1 4.29Å; L546-V565 HydrophobicContact CB-CG1 4.31Å; L546-V565 HydrophobicContact CD2-CG1 4.07Å; L546-L569 HydrophobicContact CD2-CD1 4.22Å; L546-L569 HydrophobicContact CG-CD1 4.09Å
547K95Very high87.8Confident73 Ų7357 Ų5732%0.31726%0.257SS..  trans-104.2-36.2177.4-65.3176-170.8160.60111.7E519 R545 L569 Q570 K571E519-K547 PolarHBondContact O-N 3.14Å; E519-K547 IonicContact OE1-NZ 2.78Å; E519-K547 IonicContact OE2-NZ 2.73Å; E519-K547 PolarHBondContact OE2-NZ 2.93Å; R545-K547 PolarHBondContact O-N 3.07Å; K547-L569 WeakPolarHBondContact O-CD1 3.49Å; K547-Q570 HydrophobicContact CB-CB 4.48Å; K547-Q570 HydrophobicContact CB-CG 4.45Å; K547-Q570 PolarHBondContact O-N 2.63Å; K547-K571 PolarHBondContact O-N 3.37Å
548V96.8Very high88.5Confident22 Ų2256.6 Ų56.613%0.13326%0.255CS..EExtended strand (participates in β ladder)trans-120.6124-176.8-176.10000109.5E519 E520 L521 K571E519-V548 PolarHBondContact O-N 3.3Å; E520-V548 WeakPolarHBondContact CA-O 3.47Å; E520-V548 HydrophobicContact CB-CB 4.06Å; E520-V548 HydrophobicContact CG-CB 3.85Å; E520-V548 HydrophobicContact CG-CG2 3.89Å; L521-V548 PolarHBondContact N-O 3.26Å; V548-K571 WeakPolarHBondContact CA-O 3.35Å; V548-K571 HydrophobicContact CB-CB 4.36Å; V548-K571 HydrophobicContact CG1-CB 4.09Å; V548-K571 HydrophobicContact CG1-CD 3.93Å; V548-K571 HydrophobicContact CG1-CG 4.1Å; V548-K571 HydrophobicContact CG2-CB 4.07Å
549L95.3Very high89Confident2 Ų253.5 Ų53.51%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-124.9119.6172-179.762.4000109.2L521 L540 L546 L551 V562 L569 K571 L572 S573L521-L549 HydrophobicContact CB-CD1 4.15Å; L521-L549 HydrophobicContact CD2-CD1 4.11Å; L521-L549 HydrophobicContact CG-CD1 4.28Å; L540-L549 HydrophobicContact CD1-CD2 4.42Å; L546-L549 HydrophobicContact CD2-CB 4.21Å; L546-L549 HydrophobicContact CD2-CD1 4.29Å; L549-L551 HydrophobicContact CD1-CD2 3.83Å; L549-L551 HydrophobicContact CD1-CG 4.36Å; L549-L551 HydrophobicContact CD2-CD1 4.27Å; L549-L551 HydrophobicContact CD2-CD2 4.42Å; L549-L551 HydrophobicContact CD2-CG 4.36Å; L549-L551 HydrophobicContact CG-CD2 4.08Å; L549-L551 HydrophobicContact CG-CG 4.07Å; L549-V562 HydrophobicContact CD2-CG1 3.81Å; L549-V562 HydrophobicContact CD2-CG2 4.17Å; L549-L569 HydrophobicContact CB-CD1 3.81Å; L549-L569 HydrophobicContact CB-CD2 3.96Å; L549-K571 PolarHBondContact N-O 2.98Å; L549-L572 HydrophobicContact CB-CD1 4.41Å; L549-L572 HydrophobicContact CD2-CD1 4.34Å; L549-L572 HydrophobicContact CG-CD1 4.47Å; L549-S573 PolarHBondContact O-N 3Å
550R95.6Very high89.1Confident96 Ų9659.2 Ų59.236%0.36226%0.263SS..EExtended strand (participates in β ladder)trans-115.2120.2174.3-179.4158.6168.4173.2-3110.5L521 H522 L523 S573L521-R550 PolarHBondContact O-N 3.28Å; H522-R550 WeakPolarHBondContact CA-O 3.28Å; L523-R550 PolarHBondContact N-O 2.86Å; R550-S573 CarbonylContact C-O 3.52Å; R550-S573 WeakPolarHBondContact CA-O 3.33Å
551L92.3Very high89.1Confident3 Ų359.6 Ų59.62%0.01627%0.265CS..EExtended strand (participates in β ladder)trans-115114178.7-57.3178.9000108.5L523 L549 L555 V562 S573 I574 N575L523-L551 HydrophobicContact CB-CD2 3.98Å; L523-L551 HydrophobicContact CD1-CD2 3.96Å; L523-L551 HydrophobicContact CG-CD2 4.31Å; L549-L551 HydrophobicContact CD1-CD2 3.83Å; L549-L551 HydrophobicContact CD1-CG 4.36Å; L549-L551 HydrophobicContact CD2-CD1 4.27Å; L549-L551 HydrophobicContact CD2-CD2 4.42Å; L549-L551 HydrophobicContact CD2-CG 4.36Å; L549-L551 HydrophobicContact CG-CD2 4.08Å; L549-L551 HydrophobicContact CG-CG 4.07Å; L551-L555 HydrophobicContact CB-CD1 4.35Å; L551-L555 HydrophobicContact CD1-CD1 4.03Å; L551-V562 HydrophobicContact CD1-CG2 4.14Å; L551-S573 PolarHBondContact N-O 2.94Å; L551-I574 CarbonylContact O-C 3.55Å; L551-I574 WeakPolarHBondContact O-CA 3.25Å; L551-N575 PolarHBondContact O-N 3.39Å
552K93.6Very high89.1Confident61 Ų6151.3 Ų51.327%0.26523%0.233SC..EExtended strand (participates in β ladder)trans-111.598.4168.7-177.9178.2172.5-162.70108.3L523 T524 G525 N575 E577L523-K552 PolarHBondContact O-N 3.39Å; T524-K552 WeakPolarHBondContact CA-O 3.42Å; T524-K552 HydrophobicContact CG2-CB 4.08Å; T524-K552 HydrophobicContact CG2-CD 3.85Å; T524-K552 HydrophobicContact CG2-CG 4.13Å; G525-K552 PolarHBondContact N-O 3.41Å; K552-N575 WeakPolarHBondContact CA-O 3.25Å; K552-N575 HydrophobicContact CB-CB 4.3Å; K552-N575 HydrophobicContact CG-CB 4.13Å; K552-E577 WeakPolarHBondContact CE-OE1 3.46Å; K552-E577 HydrophobicContact CG-CG 4.34Å; K552-E577 IonicContact NZ-OE1 3.68Å; K552-E577 PolarHBondContact NZ-OE1 3.34Å
553S88.4Confident88.9Confident1 Ų146 Ų461%0.00721%0.209CC..SBendtrans-161.2174.4-168.3-162.30000111G525 L527 L555 N575 N576G525-S553 WeakPolarHBondContact O-CA 3.41Å; G525-S553 WeakPolarHBondContact O-CB 3.32Å; G525-S553 PolarHBondContact O-OG 3.43Å; L527-S553 WeakPolarHBondContact CB-OG 3.3Å; L527-S553 WeakPolarHBondContact CG-OG 3.39Å; L527-S553 PolarHBondContact N-OG 3.41Å; S553-L555 PolarHBondContact O-N 3.19Å; S553-N575 PolarHBondContact N-O 3.27Å; S553-N575 VanDerWaalsContact N-O 3.16Å; S553-N576 CarbonylContact O-C 3.43Å; S553-N576 VanDerWaalsContact O-CA 3.23Å; S553-N576 WeakPolarHBondContact O-CA 3.46Å; S553-N576 PolarHBondContact O-OD1 3.03Å
554N87.1Confident88.6Confident50 Ų5049 Ų4927%0.26723%0.225SC..  trans-100.766.6177.9-66.2-20.7000110.9T579N554-T579 PolarHBondContact OD1-OG1 2.93Å
555L85.2Confident88.5Confident11 Ų1142.2 Ų42.26%0.05820%0.196CC..  trans-79.7120.8-176.7-58.3175.7000111.1L527 L551 S553 I574 N576 L581L527-L555 HydrophobicContact CB-CD2 4.15Å; L527-L555 HydrophobicContact CD1-CD2 4.21Å; L551-L555 HydrophobicContact CB-CD1 4.35Å; L551-L555 HydrophobicContact CD1-CD1 4.03Å; S553-L555 PolarHBondContact O-N 3.19Å; L555-I574 HydrophobicContact CD1-CG2 4.37Å; L555-N576 WeakPolarHBondContact CA-OD1 3.47Å; L555-N576 WeakPolarHBondContact CB-OD1 3.37Å; L555-N576 PolarHBondContact N-OD1 3.41Å; L555-N576 PolarHBondContact O-ND2 3.41Å; L555-N576 PolarHBondContact O-OD1 3.16Å; L555-L581 HydrophobicContact CB-CD1 4.09Å; L555-L581 WeakPolarHBondContact O-CD1 3.26Å
556T85.4Confident88Confident65 Ų6534.9 Ų34.940%0.39917%0.169SC..SBendtrans-79.1-29.3170.455.50000112.3T579 I582T556-T579 HydrophobicContact CG2-CG2 4.47Å; T556-I582 PolarHBondContact O-N 2.81Å
557K84.6Confident87.6Confident102 Ų10238.3 Ų38.344%0.44319%0.189SC..BIsolated β-bridgetrans-145.5148.6178.1-177.2175.7177.9-177.40109.9P559 V583K557-P559 WeakPolarHBondContact O-CD 3.41Å; K557-V583 HydrophobicContact CD-CB 4.29Å; K557-V583 HydrophobicContact CD-CG2 4.47Å; K557-V583 HydrophobicContact CG-CB 4.3Å
558L84.4Confident87.2Confident3 Ų339.9 Ų39.92%0.01620%0.198CC..  trans-68.3123.9172.8-166.365.6000110.8V562 T563 I574 L587 M590L558-V562 HydrophobicContact CD1-CB 4.3Å; L558-V562 HydrophobicContact CD1-CG1 3.93Å; L558-V562 HydrophobicContact CG-CB 4.42Å; L558-V562 HydrophobicContact CG-CG1 4.33Å; L558-T563 HydrophobicContact CD2-CG2 3.72Å; L558-T563 HydrophobicContact CG-CG2 4.24Å; L558-I574 HydrophobicContact CD1-CD1 3.57Å; L558-L587 HydrophobicContact CD2-CD2 3.83Å; L558-M590 HydrophobicContact CD2-CE 3.9Å
559P83.4Confident87.1Confident19 Ų1938.9 Ų38.912%0.12319%0.191CC..  trans-61.6145.8177.7-22.733.5000112.4I537 K557 V561 V562 T563I537-P559 HydrophobicContact CD1-CG 4.2Å; K557-P559 WeakPolarHBondContact O-CD 3.41Å; P559-V561 VanDerWaalsContact C-N 3.33Å; P559-V561 HydrophobicContact CB-CG1 4.04Å; P559-V561 PolarHBondContact O-N 2.85Å; P559-V562 HydrophobicContact CB-CG2 4.13Å; P559-V562 HydrophobicContact CG-CG2 4.21Å; P559-V562 PolarHBondContact O-N 3.29Å; P559-T563 PolarHBondContact O-N 3.2Å
560Q81.9Confident87.1Confident136 Ų13642.7 Ų42.764%0.63621%0.209SC*.Hα-helixtrans-62.5-40.1-179.8-74.6-170.1-18.100112.3V562 T563 D564Q560-V562 VanDerWaalsContact C-N 3.25Å; Q560-V562 PolarHBondContact O-N 2.82Å; Q560-T563 CarbonylContact O-C 3.49Å; Q560-T563 WeakPolarHBondContact O-CA 3.49Å; Q560-T563 WeakPolarHBondContact O-CB 3.38Å; Q560-T563 PolarHBondContact O-N 2.97Å; Q560-T563 PolarHBondContact O-OG1 2.94Å; Q560-D564 PolarHBondContact O-N 3.28Å
561V83.8Confident87.1Confident9 Ų940.3 Ų40.36%0.05520%0.202CC..Hα-helixtrans-57-37.1176.861.10000113.1I537 L540 R541 P559 T563 D564 V565I537-V561 HydrophobicContact CB-CG1 3.9Å; I537-V561 HydrophobicContact CG2-CG1 3.37Å; I537-V561 WeakPolarHBondContact O-CG1 3.3Å; I537-V561 VanDerWaalsContact O-CG2 3.32Å; I537-V561 WeakPolarHBondContact O-CG2 3.47Å; L540-V561 HydrophobicContact CB-CG2 4.03Å; R541-V561 HydrophobicContact CB-CG2 4.37Å; P559-V561 VanDerWaalsContact C-N 3.33Å; P559-V561 HydrophobicContact CB-CG1 4.04Å; P559-V561 PolarHBondContact O-N 2.85Å; V561-T563 PolarHBondContact O-N 3.03Å; V561-D564 PolarHBondContact O-N 3.09Å; V561-D564 VanDerWaalsContact O-N 3.15Å; V561-V565 HydrophobicContact CG2-CG2 4.41Å; V561-V565 WeakPolarHBondContact O-CG2 3.28Å; V561-V565 PolarHBondContact O-N 3.08Å
562V86.8Confident87.3Confident0 Ų040.2 Ų40.20%020%0.201CC..Hα-helixtrans-62.6-36.8175.2176.60000110.3I537 L549 L551 L558 P559 Q560 G566 L572 M590I537-V562 HydrophobicContact CG2-CG2 4.35Å; L549-V562 HydrophobicContact CD2-CG1 3.81Å; L549-V562 HydrophobicContact CD2-CG2 4.17Å; L551-V562 HydrophobicContact CD1-CG2 4.14Å; L558-V562 HydrophobicContact CD1-CB 4.3Å; L558-V562 HydrophobicContact CD1-CG1 3.93Å; L558-V562 HydrophobicContact CG-CB 4.42Å; L558-V562 HydrophobicContact CG-CG1 4.33Å; P559-V562 HydrophobicContact CB-CG2 4.13Å; P559-V562 HydrophobicContact CG-CG2 4.21Å; P559-V562 PolarHBondContact O-N 3.29Å; Q560-V562 VanDerWaalsContact C-N 3.25Å; Q560-V562 PolarHBondContact O-N 2.82Å; V562-G566 PolarHBondContact O-N 3.3Å; V562-L572 HydrophobicContact CG1-CD1 4.2Å; V562-M590 HydrophobicContact CG1-CE 3.89Å; V562-M590 WeakPolarHBondContact O-CE 3.43Å
563T83.9Confident87.4Confident1 Ų137.3 Ų37.31%0.00619%0.189CC..Hα-helixtrans-74.3-28.2177.2680000113.1L558 P559 Q560 V561 G566 M590L558-T563 HydrophobicContact CD2-CG2 3.72Å; L558-T563 HydrophobicContact CG-CG2 4.24Å; P559-T563 PolarHBondContact O-N 3.2Å; Q560-T563 CarbonylContact O-C 3.49Å; Q560-T563 WeakPolarHBondContact O-CA 3.49Å; Q560-T563 WeakPolarHBondContact O-CB 3.38Å; Q560-T563 PolarHBondContact O-N 2.97Å; Q560-T563 PolarHBondContact O-OG1 2.94Å; V561-T563 PolarHBondContact O-N 3.03Å; T563-G566 PolarHBondContact O-N 3.49Å; T563-M590 HydrophobicContact CG2-CE 3.93Å
564D83.2Confident87.7Confident66 Ų6637.3 Ų37.335%0.35319%0.188SC..Hα-helixtrans-75.7-39.8177.2-60.8-25.6000111.3Q560 V561 G566 K589Q560-D564 PolarHBondContact O-N 3.28Å; V561-D564 PolarHBondContact O-N 3.09Å; V561-D564 VanDerWaalsContact O-N 3.15Å; D564-G566 PolarHBondContact O-N 3.2Å; D564-K589 IonicContact OD1-NZ 2.89Å
565V85.3Confident88.1Confident11 Ų1135.8 Ų35.87%0.06718%0.18CC..Hα-helixtrans-69.7-27171.3-176.80000111.2L540 L546 V561 V567 H568L540-V565 HydrophobicContact CB-CG2 4.18Å; L540-V565 WeakPolarHBondContact O-CG2 3.48Å; L546-V565 HydrophobicContact CB-CG1 4.31Å; L546-V565 HydrophobicContact CD2-CG1 4.07Å; V561-V565 HydrophobicContact CG2-CG2 4.41Å; V561-V565 WeakPolarHBondContact O-CG2 3.28Å; V561-V565 PolarHBondContact O-N 3.08Å; V565-V567 PolarHBondContact O-N 3.36Å; V565-H568 PolarHBondContact O-N 3.23Å
566G81.4Confident88.3Confident0 Ų035.3 Ų35.30%018%0.178CC..THydrogen-bonded Turntrans-56.5-14.5-177.900000116.3V562 T563 D564 H568 M590V562-G566 PolarHBondContact O-N 3.3Å; T563-G566 PolarHBondContact O-N 3.49Å; D564-G566 PolarHBondContact O-N 3.2Å; G566-H568 PolarHBondContact O-N 2.97Å; G566-M590 WeakPolarHBondContact O-CA 3.3Å
567V85.4Confident88.4Confident73 Ų7335.8 Ų35.844%0.44218%0.176SC..THydrogen-bonded Turntrans-63.8-30.7174-177.40000111.9V565 N592V565-V567 PolarHBondContact O-N 3.36Å; V567-N592 WeakPolarHBondContact O-CB 3.3Å
568H88.1Confident88.4Confident106 Ų10633.2 Ų33.249%0.49118%0.178SC..THydrogen-bonded Turntrans-105.4-16.1-175.1-49.864.6000111.7V565 G566V565-H568 PolarHBondContact O-N 3.23Å; G566-H568 PolarHBondContact O-N 2.97Å
569L93.3Very high88.6Confident1 Ų135 Ų351%0.00519%0.189CC..  trans-70.3134.9-174.4-157.574.3000111.4L546 K547 L549 K571 L572 N592 L593L546-L569 HydrophobicContact CD2-CD1 4.22Å; L546-L569 HydrophobicContact CG-CD1 4.09Å; K547-L569 WeakPolarHBondContact O-CD1 3.49Å; L549-L569 HydrophobicContact CB-CD1 3.81Å; L549-L569 HydrophobicContact CB-CD2 3.96Å; L569-K571 WeakPolarHBondContact CG-O 3.43Å; L569-L572 HydrophobicContact CD2-CB 3.89Å; L569-L572 HydrophobicContact CD2-CD1 4.07Å; L569-N592 CarbonylContact O-C 3.56Å; L569-L593 HydrophobicContact CB-CD1 4.38Å; L569-L593 HydrophobicContact CD2-CD1 4.21Å; L569-L593 HydrophobicContact CG-CD1 4.34Å
570Q95.1Very high88.9Confident82 Ų8238.6 Ų38.638%0.38320%0.203SC..SBendtrans-100.1-37.4177.2-65.6-178.9-16.200111.2K547 T594 E595K547-Q570 HydrophobicContact CB-CB 4.48Å; K547-Q570 HydrophobicContact CB-CG 4.45Å; K547-Q570 PolarHBondContact O-N 2.63Å; Q570-T594 PolarHBondContact O-N 3.4Å; Q570-T594 PolarHBondContact O-OG1 2.78Å; Q570-T594 VanDerWaalsContact O-OG1 3.06Å; Q570-E595 PolarHBondContact O-N 2.81Å
571K96.8Very high89.1Confident47 Ų4732.6 Ų32.620%0.20417%0.174CC..EExtended strand (participates in β ladder)trans-126.4126.7179.6-179.8172.5-173.1134.50111.7K547 V548 L549 L569 E595 E597K547-K571 PolarHBondContact O-N 3.37Å; V548-K571 WeakPolarHBondContact CA-O 3.35Å; V548-K571 HydrophobicContact CB-CB 4.36Å; V548-K571 HydrophobicContact CG1-CB 4.09Å; V548-K571 HydrophobicContact CG1-CD 3.93Å; V548-K571 HydrophobicContact CG1-CG 4.1Å; V548-K571 HydrophobicContact CG2-CB 4.07Å; L549-K571 PolarHBondContact N-O 2.98Å; L569-K571 WeakPolarHBondContact CG-O 3.43Å; K571-E595 WeakPolarHBondContact CA-O 3.44Å; K571-E595 HydrophobicContact CB-CB 4.08Å; K571-E595 HydrophobicContact CD-CB 4.32Å; K571-E595 VanDerWaalsContact CD-OE2 3.29Å; K571-E595 WeakPolarHBondContact CD-OE2 3.43Å; K571-E595 WeakPolarHBondContact CE-OE2 3.48Å; K571-E595 HydrophobicContact CG-CB 3.89Å; K571-E595 IonicContact NZ-OE2 3.81Å; K571-E595 PolarHBondContact NZ-OE2 2.96Å; K571-E597 WeakPolarHBondContact CE-OE1 3.47Å; K571-E597 IonicContact NZ-OE1 3.51Å; K571-E597 PolarHBondContact NZ-OE1 3.42Å
572L95.6Very high88.9Confident0 Ų036.8 Ų36.80%020%0.196CC..EExtended strand (participates in β ladder)trans-120.1119.6170.7179.463.2000108.9L549 V562 L569 I574 L587 M590 L593 E595 L596 E597L549-L572 HydrophobicContact CB-CD1 4.41Å; L549-L572 HydrophobicContact CD2-CD1 4.34Å; L549-L572 HydrophobicContact CG-CD1 4.47Å; V562-L572 HydrophobicContact CG1-CD1 4.2Å; L569-L572 HydrophobicContact CD2-CB 3.89Å; L569-L572 HydrophobicContact CD2-CD1 4.07Å; L572-I574 HydrophobicContact CD1-CD1 4.48Å; L572-I574 HydrophobicContact CD1-CG1 4.19Å; L572-I574 HydrophobicContact CD2-CD1 4.17Å; L572-I574 HydrophobicContact CG-CD1 4.32Å; L572-I574 HydrophobicContact CG-CG1 4.18Å; L572-L587 HydrophobicContact CD2-CD2 4.05Å; L572-M590 HydrophobicContact CD2-CE 3.87Å; L572-M590 HydrophobicContact CD2-SD 3.64Å; L572-L593 HydrophobicContact CB-CD1 3.82Å; L572-L593 HydrophobicContact CB-CD2 4.07Å; L572-E595 PolarHBondContact N-O 3.24Å; L572-L596 HydrophobicContact CB-CD1 4.23Å; L572-L596 HydrophobicContact CD2-CD1 4.2Å; L572-L596 HydrophobicContact CG-CD1 4.38Å; L572-E597 PolarHBondContact O-N 3.07Å
573S96.3Very high88.1Confident1 Ų140 Ų401%0.00722%0.215CC..EExtended strand (participates in β ladder)trans-120117.2176179.90000109.7L549 R550 L551 E597L549-S573 PolarHBondContact O-N 3Å; R550-S573 CarbonylContact C-O 3.52Å; R550-S573 WeakPolarHBondContact CA-O 3.33Å; L551-S573 PolarHBondContact N-O 2.94Å; S573-E597 WeakPolarHBondContact CA-O 3.21Å; S573-E597 VanDerWaalsContact CB-OE2 3.26Å; S573-E597 WeakPolarHBondContact CB-OE2 3.27Å; S573-E597 PolarHBondContact OG-OE2 3.14Å
574I93.9Very high87.8Confident0 Ų040.6 Ų40.60%022%0.218CC..EExtended strand (participates in β ladder)trans-116119.1175.5-57.2174.8000107.6L551 L555 L558 L572 N576 L581 E597 L598 I599L551-I574 CarbonylContact O-C 3.55Å; L551-I574 WeakPolarHBondContact O-CA 3.25Å; L555-I574 HydrophobicContact CD1-CG2 4.37Å; L558-I574 HydrophobicContact CD1-CD1 3.57Å; L572-I574 HydrophobicContact CD1-CD1 4.48Å; L572-I574 HydrophobicContact CD1-CG1 4.19Å; L572-I574 HydrophobicContact CD2-CD1 4.17Å; L572-I574 HydrophobicContact CG-CD1 4.32Å; L572-I574 HydrophobicContact CG-CG1 4.18Å; I574-N576 HydrophobicContact CG2-CB 4.49Å; I574-L581 HydrophobicContact CD1-CD2 4.21Å; I574-L581 HydrophobicContact CG2-CD2 4.27Å; I574-E597 PolarHBondContact N-O 2.71Å; I574-L598 HydrophobicContact CB-CD2 4.05Å; I574-L598 HydrophobicContact CD1-CD2 3.94Å; I574-L598 HydrophobicContact CG1-CD2 4.29Å; I574-I599 PolarHBondContact O-N 3.23Å
575N95.1Very high87.7Confident19 Ų1942.8 Ų42.810%0.10223%0.23CC..EExtended strand (participates in β ladder)trans-113.1105.5169.5-176.6-19.9000108.6L551 K552 S553 E577 I599L551-N575 PolarHBondContact O-N 3.39Å; K552-N575 WeakPolarHBondContact CA-O 3.25Å; K552-N575 HydrophobicContact CB-CB 4.3Å; K552-N575 HydrophobicContact CG-CB 4.13Å; S553-N575 PolarHBondContact N-O 3.27Å; S553-N575 VanDerWaalsContact N-O 3.16Å; N575-E577 PolarHBondContact OD1-N 3.28Å; N575-I599 VanDerWaalsContact CA-O 3.28Å; N575-I599 WeakPolarHBondContact CA-O 3.28Å; N575-I599 HydrophobicContact CB-CB 4.21Å; N575-I599 HydrophobicContact CB-CG2 4.4Å
576N90.4Very high87.6Confident0 Ų043.7 Ų43.70%024%0.237CC..  trans-95.39.6-167.4-139.834.3000114.9S553 L555 I574 G578 T579 I599 R600 C601S553-N576 CarbonylContact O-C 3.43Å; S553-N576 VanDerWaalsContact O-CA 3.23Å; S553-N576 WeakPolarHBondContact O-CA 3.46Å; S553-N576 PolarHBondContact O-OD1 3.03Å; L555-N576 WeakPolarHBondContact CA-OD1 3.47Å; L555-N576 WeakPolarHBondContact CB-OD1 3.37Å; L555-N576 PolarHBondContact N-OD1 3.41Å; L555-N576 PolarHBondContact O-ND2 3.41Å; L555-N576 PolarHBondContact O-OD1 3.16Å; I574-N576 HydrophobicContact CG2-CB 4.49Å; N576-G578 PolarHBondContact O-N 2.92Å; N576-T579 WeakPolarHBondContact ND2-CB 3.46Å; N576-T579 PolarHBondContact ND2-O 3.44Å; N576-T579 WeakPolarHBondContact O-CB 3.35Å; N576-T579 PolarHBondContact O-N 3.46Å; N576-T579 PolarHBondContact O-OG1 3.48Å; N576-I599 PolarHBondContact N-O 2.88Å; N576-R600 CarbonylContact C-O 3.19Å; N576-R600 WeakPolarHBondContact CB-O 3.29Å; N576-C601 HydrophobicContact CB-CB 4.34Å
577E88.4Confident87.8Confident76 Ų7643.7 Ų43.736%0.35524%0.237SC..THydrogen-bonded Turntrans52.516.6179-54.1-165.511400116K552 N575 R600K552-E577 WeakPolarHBondContact CE-OE1 3.46Å; K552-E577 HydrophobicContact CG-CG 4.34Å; K552-E577 IonicContact NZ-OE1 3.68Å; K552-E577 PolarHBondContact NZ-OE1 3.34Å; N575-E577 PolarHBondContact OD1-N 3.28Å; E577-R600 PolarHBondContact N-O 3.4Å; E577-R600 PolarHBondContact O-NH2 2.95Å
578G84.8Confident87.8Confident47 Ų4745.2 Ų45.249%0.48524%0.238SC..THydrogen-bonded Turntrans104.40.3-177.600000114.3N576 R600N576-G578 PolarHBondContact O-N 2.92Å; G578-R600 WeakPolarHBondContact CA-O 3.1Å; G578-R600 PolarHBondContact N-O 3.19Å
579T87.6Confident87.8Confident40 Ų4045.4 Ų45.425%0.24524%0.237CC..  trans-75139.5174.5-54.20000110.2N554 T556 N576 L581 C601N554-T579 PolarHBondContact OD1-OG1 2.93Å; T556-T579 HydrophobicContact CG2-CG2 4.47Å; N576-T579 WeakPolarHBondContact ND2-CB 3.46Å; N576-T579 PolarHBondContact ND2-O 3.44Å; N576-T579 WeakPolarHBondContact O-CB 3.35Å; N576-T579 PolarHBondContact O-N 3.46Å; N576-T579 PolarHBondContact O-OG1 3.48Å; T579-L581 PolarHBondContact O-N 2.94Å; T579-C601 CarbonylContact O-C 3.41Å
580K89.2Confident87.6Confident96 Ų9645.4 Ų45.442%0.41724%0.237SC..  trans-72116.9177.3-168.4165.8-172.4155.10112I582 D602 E604K580-I582 HydrophobicContact CG-CG1 4.19Å; K580-D602 HydrophobicContact CB-CB 4.25Å; K580-E604 IonicContact NZ-OE1 3Å; K580-E604 PolarHBondContact NZ-OE1 3.14Å
581L86.3Confident87.3Confident9 Ų945.2 Ų45.25%0.04724%0.241CC..  trans-90.4112177.6-17261.6000110.6L555 I574 T579 L584 L598 C601L555-L581 HydrophobicContact CB-CD1 4.09Å; L555-L581 WeakPolarHBondContact O-CD1 3.26Å; I574-L581 HydrophobicContact CD1-CD2 4.21Å; I574-L581 HydrophobicContact CG2-CD2 4.27Å; T579-L581 PolarHBondContact O-N 2.94Å; L581-L584 HydrophobicContact CD2-CD1 4.47Å; L581-L584 HydrophobicContact CD2-CD2 3.77Å; L581-L584 HydrophobicContact CG-CD2 4.04Å; L581-L598 HydrophobicContact CD2-CD2 4.49Å; L581-C601 HydrophobicContact CB-CB 4.25Å; L581-C601 PolarHBondContact N-O 3.37Å
582I80.3Confident87Confident97 Ų9746 Ų4650%0.49725%0.248SC..BIsolated β-bridgetrans-105.9152-175-44176.2000110T556 K580T556-I582 PolarHBondContact O-N 2.81Å; K580-I582 HydrophobicContact CG-CG1 4.19Å
583V69.4Low87Confident69 Ų6946 Ų4642%0.41825%0.248SC..  trans6667.7172.4-161.50000113.7K557 N585K557-V583 HydrophobicContact CD-CB 4.29Å; K557-V583 HydrophobicContact CD-CG2 4.47Å; K557-V583 HydrophobicContact CG-CB 4.3Å; V583-N585 VanDerWaalsContact C-N 3.32Å; V583-N585 PolarHBondContact O-N 3.1Å
584L77.3Confident86.9Confident13 Ų1347.3 Ų47.37%0.06826%0.256CS..G310 helixtrans-88.88.8177.4-69167.7000114.2L581 S586 L587 L598 L603 P607 S609L581-L584 HydrophobicContact CD2-CD1 4.47Å; L581-L584 HydrophobicContact CD2-CD2 3.77Å; L581-L584 HydrophobicContact CG-CD2 4.04Å; L584-S586 PolarHBondContact O-N 2.92Å; L584-S586 VanDerWaalsContact O-N 3.12Å; L584-L587 HydrophobicContact CB-CD1 4Å; L584-L587 HydrophobicContact CB-CG 4.34Å; L584-L587 HydrophobicContact CD2-CD1 3.99Å; L584-L587 HydrophobicContact CD2-CG 4.19Å; L584-L587 HydrophobicContact CG-CD1 4.45Å; L584-L587 WeakPolarHBondContact O-CB 3.49Å; L584-L587 WeakPolarHBondContact O-CG 3.3Å; L584-L587 PolarHBondContact O-N 2.68Å; L584-L598 HydrophobicContact CD1-CD1 4.46Å; L584-L603 HydrophobicContact CD1-CD2 4.03Å; L584-P607 HydrophobicContact CB-CB 3.98Å; L584-P607 HydrophobicContact CB-CG 4.33Å; L584-P607 HydrophobicContact CD1-CB 3.92Å; L584-P607 HydrophobicContact CD1-CG 3.31Å; L584-P607 HydrophobicContact CG-CG 4.43Å; L584-S609 WeakPolarHBondContact O-CB 3.42Å; L584-S609 PolarHBondContact O-OG 3.36Å
585N81.8Confident87.1Confident112 Ų11250.4 Ų50.460%0.59927%0.27SS*.G310 helixtrans-57.6-28.6178-73.2-15.7000112.9V583 L587 K588V583-N585 VanDerWaalsContact C-N 3.32Å; V583-N585 PolarHBondContact O-N 3.1Å; N585-L587 PolarHBondContact O-N 3.33Å; N585-K588 WeakPolarHBondContact O-CG 3.49Å; N585-K588 PolarHBondContact O-N 3.37Å
586S82.4Confident87.2Confident29 Ų2949.5 Ų49.520%0.20327%0.265CS..G310 helixtrans-68-17.8178.5-43.80000113.9L584 K588 K589L584-S586 PolarHBondContact O-N 2.92Å; L584-S586 VanDerWaalsContact O-N 3.12Å; S586-K588 PolarHBondContact O-N 2.93Å; S586-K588 VanDerWaalsContact O-N 3.17Å; S586-K589 PolarHBondContact O-N 3.13Å
587L85.9Confident87.5Confident0 Ų050.6 Ų50.60%027%0.27CS..G310 helixtrans-57.4-29.6175.6-71.3179000111.8L558 L572 L584 N585 K589 M590 I610 L613L558-L587 HydrophobicContact CD2-CD2 3.83Å; L572-L587 HydrophobicContact CD2-CD2 4.05Å; L584-L587 HydrophobicContact CB-CD1 4Å; L584-L587 HydrophobicContact CB-CG 4.34Å; L584-L587 HydrophobicContact CD2-CD1 3.99Å; L584-L587 HydrophobicContact CD2-CG 4.19Å; L584-L587 HydrophobicContact CG-CD1 4.45Å; L584-L587 WeakPolarHBondContact O-CB 3.49Å; L584-L587 WeakPolarHBondContact O-CG 3.3Å; L584-L587 PolarHBondContact O-N 2.68Å; N585-L587 PolarHBondContact O-N 3.33Å; L587-K589 PolarHBondContact O-N 3.24Å; L587-M590 HydrophobicContact CD2-CE 4.38Å; L587-M590 HydrophobicContact CD2-SD 3.77Å; L587-M590 WeakPolarHBondContact O-CB 3.25Å; L587-M590 PolarHBondContact O-N 3.19Å; L587-I610 HydrophobicContact CD1-CG1 4.08Å; L587-L613 WeakPolarHBondContact O-CD2 3.36Å
588K87.1Confident87.8Confident106 Ų10647 Ų4746%0.46125%0.253SS..G310 helixtrans-55.5-21.7179.8-62.1-174.2176.8-176.10114.1N585 S586 M590N585-K588 WeakPolarHBondContact O-CG 3.49Å; N585-K588 PolarHBondContact O-N 3.37Å; S586-K588 PolarHBondContact O-N 2.93Å; S586-K588 VanDerWaalsContact O-N 3.17Å; K588-M590 VanDerWaalsContact C-N 3.31Å
589K87.6Confident88.3Confident110 Ų11045 Ų4548%0.47823%0.231SC..G310 helixtrans-73-20.2176.1-65.6-174.6175.2-174.40113.5D564 S586 L587 V591D564-K589 IonicContact OD1-NZ 2.89Å; S586-K589 PolarHBondContact O-N 3.13Å; L587-K589 PolarHBondContact O-N 3.24Å; K589-V591 VanDerWaalsContact C-N 3.27Å; K589-V591 PolarHBondContact O-N 3.14Å
590M89.6Confident88.7Confident0 Ų047.5 Ų47.50%024%0.237CC..  trans-87.652.8-170.7-53.4-175.616400112.7L558 V562 T563 G566 L572 L587 K588 N592 L593 L613L558-M590 HydrophobicContact CD2-CE 3.9Å; V562-M590 HydrophobicContact CG1-CE 3.89Å; V562-M590 WeakPolarHBondContact O-CE 3.43Å; T563-M590 HydrophobicContact CG2-CE 3.93Å; G566-M590 WeakPolarHBondContact O-CA 3.3Å; L572-M590 HydrophobicContact CD2-CE 3.87Å; L572-M590 HydrophobicContact CD2-SD 3.64Å; L587-M590 HydrophobicContact CD2-CE 4.38Å; L587-M590 HydrophobicContact CD2-SD 3.77Å; L587-M590 WeakPolarHBondContact O-CB 3.25Å; L587-M590 PolarHBondContact O-N 3.19Å; K588-M590 VanDerWaalsContact C-N 3.31Å; M590-N592 PolarHBondContact O-N 3.49Å; M590-L593 HydrophobicContact CB-CB 4.38Å; M590-L593 WeakPolarHBondContact O-CB 3.37Å; M590-L593 PolarHBondContact O-N 3.21Å; M590-L593 VanDerWaalsContact O-N 3.1Å; M590-L613 HydrophobicContact CB-CD2 4.25Å; M590-L613 VanDerWaalsContact O-CD2 3.28Å; M590-L613 WeakPolarHBondContact O-CD2 3.1Å
591V87.2Confident88.9Confident78 Ų7843 Ų4347%0.47322%0.217SC..THydrogen-bonded Turntrans-62-19.5-168.2-64.40000114.9K589 N615K589-V591 VanDerWaalsContact C-N 3.27Å; K589-V591 PolarHBondContact O-N 3.14Å; V591-N615 PolarHBondContact O-ND2 3.49Å
592N91.3Very high89.3Confident64 Ų6444.6 Ų44.634%0.34223%0.226SC..THydrogen-bonded Turntrans-92.20.9-178.8-15543.7000114.1V567 L569 M590 T594V567-N592 WeakPolarHBondContact O-CB 3.3Å; L569-N592 CarbonylContact O-C 3.56Å; M590-N592 PolarHBondContact O-N 3.49Å; N592-T594 PolarHBondContact O-N 3.32Å
593L94.6Very high89.9Confident0 Ų040.6 Ų40.60%021%0.205CC..  trans-66.5125.7-176.6-152.774.6000111L569 L572 M590 L596 L613 N615 L616L569-L593 HydrophobicContact CB-CD1 4.38Å; L569-L593 HydrophobicContact CD2-CD1 4.21Å; L569-L593 HydrophobicContact CG-CD1 4.34Å; L572-L593 HydrophobicContact CB-CD1 3.82Å; L572-L593 HydrophobicContact CB-CD2 4.07Å; M590-L593 HydrophobicContact CB-CB 4.38Å; M590-L593 WeakPolarHBondContact O-CB 3.37Å; M590-L593 PolarHBondContact O-N 3.21Å; M590-L593 VanDerWaalsContact O-N 3.1Å; L593-L596 HydrophobicContact CD2-CB 3.87Å; L593-L596 HydrophobicContact CD2-CD1 3.85Å; L593-L596 HydrophobicContact CD2-CG 4.32Å; L593-L613 HydrophobicContact CD2-CD1 4.21Å; L593-N615 CarbonylContact O-C 3.38Å; L593-L616 HydrophobicContact CB-CD2 4.36Å; L593-L616 HydrophobicContact CD2-CD2 4.26Å; L593-L616 HydrophobicContact CG-CD2 4.34Å; L593-L616 PolarHBondContact O-N 3.31Å
594T95.9Very high91Very high29 Ų2942.3 Ų42.318%0.17821%0.208CC..  trans-103.3-31.3176.257.10000111.8Q570 N592 Q617 E618Q570-T594 PolarHBondContact O-N 3.4Å; Q570-T594 PolarHBondContact O-OG1 2.78Å; Q570-T594 VanDerWaalsContact O-OG1 3.06Å; N592-T594 PolarHBondContact O-N 3.32Å; T594-Q617 PolarHBondContact O-N 2.63Å; T594-E618 PolarHBondContact O-N 3.03Å
595E97.4Very high91.6Very high65 Ų6550 Ų5030%0.30424%0.236SC..EExtended strand (participates in β ladder)trans-128.4126.6-179.5-60.2-175.1-157.400110.9Q570 K571 L572 E618Q570-E595 PolarHBondContact O-N 2.81Å; K571-E595 WeakPolarHBondContact CA-O 3.44Å; K571-E595 HydrophobicContact CB-CB 4.08Å; K571-E595 HydrophobicContact CD-CB 4.32Å; K571-E595 VanDerWaalsContact CD-OE2 3.29Å; K571-E595 WeakPolarHBondContact CD-OE2 3.43Å; K571-E595 WeakPolarHBondContact CE-OE2 3.48Å; K571-E595 HydrophobicContact CG-CB 3.89Å; K571-E595 IonicContact NZ-OE2 3.81Å; K571-E595 PolarHBondContact NZ-OE2 2.96Å; L572-E595 PolarHBondContact N-O 3.24Å; E595-E618 WeakPolarHBondContact CA-O 2.73Å; E595-E618 HydrophobicContact CG-CB 4.18Å
596L96.1Very high92.1Very high0 Ų044.8 Ų44.80%021%0.209CC..EExtended strand (participates in β ladder)trans-126.5121.1176.5178.963.8000110.5L572 L593 L598 I610 L613 L616 E618 I619 D620L572-L596 HydrophobicContact CB-CD1 4.23Å; L572-L596 HydrophobicContact CD2-CD1 4.2Å; L572-L596 HydrophobicContact CG-CD1 4.38Å; L593-L596 HydrophobicContact CD2-CB 3.87Å; L593-L596 HydrophobicContact CD2-CD1 3.85Å; L593-L596 HydrophobicContact CD2-CG 4.32Å; L596-L598 HydrophobicContact CD1-CD2 4.1Å; L596-L598 HydrophobicContact CD1-CG 4.14Å; L596-L598 HydrophobicContact CD2-CD1 4.35Å; L596-L598 HydrophobicContact CG-CG 4.2Å; L596-I610 HydrophobicContact CD2-CD1 3.86Å; L596-I610 HydrophobicContact CD2-CG1 3.86Å; L596-I610 HydrophobicContact CD2-CG2 4.16Å; L596-L613 HydrophobicContact CD2-CD1 4.39Å; L596-L616 HydrophobicContact CB-CD2 3.85Å; L596-E618 PolarHBondContact N-O 3.4Å; L596-I619 WeakPolarHBondContact O-CA 2.78Å; L596-D620 PolarHBondContact O-N 2.96Å
597E96.9Very high92.5Very high22 Ų2244.3 Ų44.310%0.10321%0.205CC..EExtended strand (participates in β ladder)trans-117.6119.1173.4-50.8174.3177.200109.3K571 L572 S573 I574 I599 D620K571-E597 WeakPolarHBondContact CE-OE1 3.47Å; K571-E597 IonicContact NZ-OE1 3.51Å; K571-E597 PolarHBondContact NZ-OE1 3.42Å; L572-E597 PolarHBondContact O-N 3.07Å; S573-E597 WeakPolarHBondContact CA-O 3.21Å; S573-E597 VanDerWaalsContact CB-OE2 3.26Å; S573-E597 WeakPolarHBondContact CB-OE2 3.27Å; S573-E597 PolarHBondContact OG-OE2 3.14Å; I574-E597 PolarHBondContact N-O 2.71Å; E597-I599 HydrophobicContact CB-CD1 4.01Å; E597-I599 HydrophobicContact CB-CG1 4.11Å; E597-D620 CarbonylContact C-O 3.4Å; E597-D620 WeakPolarHBondContact CA-O 3.43Å; E597-D620 HydrophobicContact CB-CB 4.26Å; E597-D620 HydrophobicContact CG-CB 4.07Å
598L95.2Very high92.5Very high0 Ų050.2 Ų50.20%023%0.232CC..EExtended strand (participates in β ladder)trans-120.589.5172.7-60.2177.8000108.3I574 L581 L584 L596 L603 I610 D620 L621 N624I574-L598 HydrophobicContact CB-CD2 4.05Å; I574-L598 HydrophobicContact CD1-CD2 3.94Å; I574-L598 HydrophobicContact CG1-CD2 4.29Å; L581-L598 HydrophobicContact CD2-CD2 4.49Å; L584-L598 HydrophobicContact CD1-CD1 4.46Å; L596-L598 HydrophobicContact CD1-CD2 4.1Å; L596-L598 HydrophobicContact CD1-CG 4.14Å; L596-L598 HydrophobicContact CD2-CD1 4.35Å; L596-L598 HydrophobicContact CG-CG 4.2Å; L598-L603 HydrophobicContact CB-CD1 3.98Å; L598-L603 HydrophobicContact CD1-CD1 3.94Å; L598-I610 HydrophobicContact CD1-CD1 4.13Å; L598-D620 PolarHBondContact N-O 2.81Å; L598-L621 HydrophobicContact CB-CD2 3.78Å; L598-L621 HydrophobicContact CD1-CD2 3.96Å; L598-L621 HydrophobicContact CG-CD2 4.16Å; L598-N624 PolarHBondContact O-ND2 3.05Å
599I96.1Very high92.6Very high5 Ų545.2 Ų45.23%0.02621%0.211CC..EExtended strand (participates in β ladder)trans-102.8130-169-56.7169.5000108.7I574 N575 N576 E597 C601 K622I574-I599 PolarHBondContact O-N 3.23Å; N575-I599 VanDerWaalsContact CA-O 3.28Å; N575-I599 WeakPolarHBondContact CA-O 3.28Å; N575-I599 HydrophobicContact CB-CB 4.21Å; N575-I599 HydrophobicContact CB-CG2 4.4Å; N576-I599 PolarHBondContact N-O 2.88Å; E597-I599 HydrophobicContact CB-CD1 4.01Å; E597-I599 HydrophobicContact CB-CG1 4.11Å; I599-C601 PolarHBondContact O-N 2.98Å; I599-C601 PolarHBondContact O-SG 3.19Å; I599-C601 VanDerWaalsContact O-SG 3.39Å; I599-K622 HydrophobicContact CB-CG 4.09Å; I599-K622 HydrophobicContact CD1-CD 4.48Å; I599-K622 VanDerWaalsContact CD1-CE 3.5Å; I599-K622 HydrophobicContact CG1-CD 4.16Å; I599-K622 HydrophobicContact CG1-CG 3.89Å; I599-K622 HydrophobicContact CG2-CD 4.09Å; I599-K622 HydrophobicContact CG2-CG 3.69Å
600R95.2Very high92.8Very high94 Ų9440 Ų4036%0.35519%0.188SC..SBendtrans53.642.7175.3-65178.559.9-170.3-6.8112.9N576 E577 G578 K622 D623N576-R600 CarbonylContact C-O 3.19Å; N576-R600 WeakPolarHBondContact CB-O 3.29Å; E577-R600 PolarHBondContact N-O 3.4Å; E577-R600 PolarHBondContact O-NH2 2.95Å; G578-R600 WeakPolarHBondContact CA-O 3.1Å; G578-R600 PolarHBondContact N-O 3.19Å; R600-K622 PolarHBondContact N-O 3.05Å; R600-D623 WeakPolarHBondContact CA-O 3.44Å; R600-D623 VanDerWaalsContact CD-OD2 3.31Å; R600-D623 WeakPolarHBondContact CD-OD2 3.29Å; R600-D623 HydrophobicContact CG-CB 3.68Å; R600-D623 WeakPolarHBondContact CG-OD2 3.49Å; R600-D623 PolarHBondContact N-O 2.72Å
601C94.3Very high92.7Very high0 Ų040.7 Ų40.70%019%0.191CC..  trans-98.76.1-175.9-69.80000113.6N576 T579 L581 I599 L603 N624N576-C601 HydrophobicContact CB-CB 4.34Å; T579-C601 CarbonylContact O-C 3.41Å; L581-C601 HydrophobicContact CB-CB 4.25Å; L581-C601 PolarHBondContact N-O 3.37Å; I599-C601 PolarHBondContact O-N 2.98Å; I599-C601 PolarHBondContact O-SG 3.19Å; I599-C601 VanDerWaalsContact O-SG 3.39Å; C601-L603 HydrophobicContact CB-CD1 4.01Å; C601-L603 HydrophobicContact CB-CD2 4.25Å; C601-L603 HydrophobicContact CB-CG 3.7Å; C601-L603 PolarHBondContact O-N 3.35Å; C601-N624 WeakPolarHBondContact CA-OD1 3.31Å; C601-N624 WeakPolarHBondContact CB-OD1 3.5Å; C601-N624 PolarHBondContact N-OD1 2.87Å
602D94.1Very high92.9Very high44 Ų4438.9 Ų38.924%0.23518%0.182CC..  trans4942.2-174-175.238.6000112.4K580 E604 N624 N625K580-D602 HydrophobicContact CB-CB 4.25Å; D602-E604 PolarHBondContact O-N 3.36Å; D602-N624 PolarHBondContact N-OD1 3.08Å; D602-N625 PolarHBondContact OD1-ND2 3Å
603L92.2Very high92.9Very high12 Ų1235.8 Ų35.86%0.06317%0.165CC..  trans-79.7120177.5-59.8174.3000109.7L584 L598 C601 N624 N625 L626L584-L603 HydrophobicContact CD1-CD2 4.03Å; L598-L603 HydrophobicContact CB-CD1 3.98Å; L598-L603 HydrophobicContact CD1-CD1 3.94Å; C601-L603 HydrophobicContact CB-CD1 4.01Å; C601-L603 HydrophobicContact CB-CD2 4.25Å; C601-L603 HydrophobicContact CB-CG 3.7Å; C601-L603 PolarHBondContact O-N 3.35Å; L603-N624 HydrophobicContact CB-CB 4.11Å; L603-N624 PolarHBondContact N-OD1 3.48Å; L603-N625 CarbonylContact O-C 3.46Å; L603-N625 WeakPolarHBondContact O-CA 3.27Å; L603-N625 PolarHBondContact O-N 2.68Å; L603-L626 HydrophobicContact CB-CD2 4.24Å; L603-L626 WeakPolarHBondContact O-CD2 3.4Å; L603-L626 PolarHBondContact O-N 3.33Å
604E92.3Very high92.6Very high105 Ų10540.7 Ų40.749%0.49119%0.188SC..SBendtrans-83.9-25.5173.5-67.6173.8-135.400112.6K580 D602 N625K580-E604 IonicContact NZ-OE1 3Å; K580-E604 PolarHBondContact NZ-OE1 3.14Å; D602-E604 PolarHBondContact O-N 3.36Å; E604-N625 HydrophobicContact CG-CB 4.47Å
605R91.3Very high92.5Very high174 Ų17441.3 Ų41.366%0.65719%0.19SC*.SBendtrans-140.4157.2179.2-69.6-171.4-176.5175.61.3111.4P607 L626 E631R605-P607 WeakPolarHBondContact O-CD 3.47Å; R605-L626 VanDerWaalsContact C-CD2 3.47Å; R605-E631 WeakPolarHBondContact CD-OE1 3.39Å
606I91.3Very high92.3Very high3 Ų338.2 Ų38.22%0.01518%0.176CC..  trans-73.1123.7175.3-55.3-177.6000109.1H608 I610 F611 L621 L626 I629 E631 F635I606-H608 PolarHBondContact O-N 3.14Å; I606-I610 HydrophobicContact CG2-CD1 4.19Å; I606-F611 HydrophobicContact CG2-CE1 4.3Å; I606-F611 HydrophobicContact CG2-CZ 3.87Å; I606-L621 HydrophobicContact CB-CD1 4.46Å; I606-L621 HydrophobicContact CD1-CD1 4.05Å; I606-L621 HydrophobicContact CG1-CD1 3.83Å; I606-L621 HydrophobicContact CG2-CD1 4.07Å; I606-L626 HydrophobicContact CG1-CD1 4.25Å; I606-L626 HydrophobicContact CG1-CD2 4.2Å; I606-I629 HydrophobicContact CD1-CB 4.49Å; I606-I629 HydrophobicContact CD1-CG2 4.23Å; I606-E631 HydrophobicContact CB-CB 4.23Å; I606-F635 HydrophobicContact CD1-CE2 4.08Å; I606-F635 HydrophobicContact CD1-CZ 3.95Å; I606-F635 HydrophobicContact CG2-CE2 4.4Å; I606-F635 HydrophobicContact CG2-CZ 4.43Å
607P89.9Confident92.3Very high19 Ų1942.4 Ų42.412%0.12320%0.195CC..  trans-64.6127.5-178.9-16.925.8000112.8L584 R605 S609 I610L584-P607 HydrophobicContact CB-CB 3.98Å; L584-P607 HydrophobicContact CB-CG 4.33Å; L584-P607 HydrophobicContact CD1-CB 3.92Å; L584-P607 HydrophobicContact CD1-CG 3.31Å; L584-P607 HydrophobicContact CG-CG 4.43Å; R605-P607 WeakPolarHBondContact O-CD 3.47Å; P607-S609 PolarHBondContact O-N 2.83Å; P607-I610 HydrophobicContact CB-CD1 4.31Å; P607-I610 HydrophobicContact CB-CG1 4.28Å; P607-I610 HydrophobicContact CG-CD1 4.02Å; P607-I610 HydrophobicContact CG-CG1 4.48Å; P607-I610 WeakPolarHBondContact O-CB 3.29Å; P607-I610 WeakPolarHBondContact O-CG1 3.18Å; P607-I610 PolarHBondContact O-N 3.17Å; P607-I610 VanDerWaalsContact O-N 3.08Å
608H87.9Confident92.3Very high124 Ų12443 Ų4357%0.57420%0.198SC*.G310 helixtrans-60.1-22179.8-62-65.2000114.6I606 I610 F611I606-H608 PolarHBondContact O-N 3.14Å; H608-I610 PolarHBondContact O-N 3.44Å; H608-F611 HydrophobicContact CB-CD2 4.26Å; H608-F611 HydrophobicContact CB-CE2 4.4Å; H608-F611 AromaticContact ND1-CE2 3.81Å; H608-F611 VanDerWaalsContact O-CD2 3.27Å; H608-F611 WeakPolarHBondContact O-CD2 3.39Å; H608-F611 PolarHBondContact O-N 2.89Å
609S88.9Confident92.4Very high1 Ų143 Ų431%0.00720%0.198CC..G310 helixtrans-66.6-23.5177.349.60000113.9L584 P607 F611 S612L584-S609 WeakPolarHBondContact O-CB 3.42Å; L584-S609 PolarHBondContact O-OG 3.36Å; P607-S609 PolarHBondContact O-N 2.83Å; S609-F611 PolarHBondContact O-N 3.49Å; S609-S612 PolarHBondContact O-N 3.16Å
610I90.8Very high92.4Very high1 Ų143 Ų431%0.00520%0.198CC..G310 helixtrans-62.6-31.1176.4-62.1178.3000110.5L587 L596 L598 I606 P607 H608 S612 L613 L616 I619 L621L587-I610 HydrophobicContact CD1-CG1 4.08Å; L596-I610 HydrophobicContact CD2-CD1 3.86Å; L596-I610 HydrophobicContact CD2-CG1 3.86Å; L596-I610 HydrophobicContact CD2-CG2 4.16Å; L598-I610 HydrophobicContact CD1-CD1 4.13Å; I606-I610 HydrophobicContact CG2-CD1 4.19Å; P607-I610 HydrophobicContact CB-CD1 4.31Å; P607-I610 HydrophobicContact CB-CG1 4.28Å; P607-I610 HydrophobicContact CG-CD1 4.02Å; P607-I610 HydrophobicContact CG-CG1 4.48Å; P607-I610 WeakPolarHBondContact O-CB 3.29Å; P607-I610 WeakPolarHBondContact O-CG1 3.18Å; P607-I610 PolarHBondContact O-N 3.17Å; P607-I610 VanDerWaalsContact O-N 3.08Å; H608-I610 PolarHBondContact O-N 3.44Å; I610-S612 PolarHBondContact O-N 2.92Å; I610-L613 VanDerWaalsContact O-CB 3.28Å; I610-L613 WeakPolarHBondContact O-CB 3.5Å; I610-L613 WeakPolarHBondContact O-CG 3.33Å; I610-L613 PolarHBondContact O-N 3.17Å; I610-L616 HydrophobicContact CG2-CD1 3.67Å; I610-I619 HydrophobicContact CG2-CD1 3.98Å; I610-L621 HydrophobicContact CD1-CD2 4.48Å
611F88.7Confident92.5Very high15 Ų1538.5 Ų38.57%0.06618%0.181CC..G310 helixtrans-71.6-11.1-178.2-49.9-46.3000114.2I606 H608 S609 L613 E631 F635 L638I606-F611 HydrophobicContact CG2-CE1 4.3Å; I606-F611 HydrophobicContact CG2-CZ 3.87Å; H608-F611 HydrophobicContact CB-CD2 4.26Å; H608-F611 HydrophobicContact CB-CE2 4.4Å; H608-F611 AromaticContact ND1-CE2 3.81Å; H608-F611 VanDerWaalsContact O-CD2 3.27Å; H608-F611 WeakPolarHBondContact O-CD2 3.39Å; H608-F611 PolarHBondContact O-N 2.89Å; S609-F611 PolarHBondContact O-N 3.49Å; F611-L613 VanDerWaalsContact C-N 3.27Å; F611-E631 HydrophobicContact CE2-CB 4.17Å; F611-E631 HydrophobicContact CZ-CB 3.88Å; F611-F635 AromaticContact CD1-CD2 3.97Å; F611-F635 HydrophobicContact CD1-CD2 3.97Å; F611-F635 HydrophobicContact CD1-CE2 4.32Å; F611-F635 AromaticContact CE1-CD2 3.21Å; F611-F635 HydrophobicContact CE1-CD2 3.21Å; F611-F635 AromaticContact CE1-CE2 3.22Å; F611-F635 HydrophobicContact CE1-CE2 3.22Å; F611-F635 HydrophobicContact CE1-CG 4.15Å; F611-F635 HydrophobicContact CE1-CZ 4.04Å; F611-F635 AromaticContact CZ-CD2 3.91Å; F611-F635 HydrophobicContact CZ-CD2 3.91Å; F611-F635 AromaticContact CZ-CE2 3.69Å; F611-F635 HydrophobicContact CZ-CE2 3.69Å; F611-L638 HydrophobicContact CD1-CD1 4.3Å
612S89.7Confident92.5Very high39 Ų3941.4 Ų41.427%0.27319%0.194SC..G310 helixtrans-82.6-4.7171.5-54.80000113S609 I610 H614S609-S612 PolarHBondContact O-N 3.16Å; I610-S612 PolarHBondContact O-N 2.92Å; S612-H614 PolarHBondContact O-CD2 3.38Å; S612-H614 PolarHBondContact O-N 3.45Å
613L91.2Very high92.6Very high0 Ų043.1 Ų43.10%020%0.203CC..  trans-95.773-174.5-55179.5000111.2L587 M590 L593 L596 I610 F611 N615 L616 L638L587-L613 WeakPolarHBondContact O-CD2 3.36Å; M590-L613 HydrophobicContact CB-CD2 4.25Å; M590-L613 VanDerWaalsContact O-CD2 3.28Å; M590-L613 WeakPolarHBondContact O-CD2 3.1Å; L593-L613 HydrophobicContact CD2-CD1 4.21Å; L596-L613 HydrophobicContact CD2-CD1 4.39Å; I610-L613 VanDerWaalsContact O-CB 3.28Å; I610-L613 WeakPolarHBondContact O-CB 3.5Å; I610-L613 WeakPolarHBondContact O-CG 3.33Å; I610-L613 PolarHBondContact O-N 3.17Å; F611-L613 VanDerWaalsContact C-N 3.27Å; L613-N615 PolarHBondContact O-N 3.37Å; L613-L616 HydrophobicContact CB-CD1 3.54Å; L613-L616 HydrophobicContact CB-CG 3.64Å; L613-L616 HydrophobicContact CD1-CD1 3.81Å; L613-L616 HydrophobicContact CD1-CG 4.31Å; L613-L616 HydrophobicContact CG-CD1 4.27Å; L613-L616 WeakPolarHBondContact O-CB 3.36Å; L613-L616 PolarHBondContact O-N 2.94Å; L613-L638 WeakPolarHBondContact O-CD2 3.33Å
614H89.8Confident92.8Very high102 Ų10242.8 Ų42.847%0.47220%0.201SC..THydrogen-bonded Turntrans-59.8-20.1-171.8-54.8-66.7000115.3S612 H637S612-H614 PolarHBondContact O-CD2 3.38Å; S612-H614 PolarHBondContact O-N 3.45Å; H614-H637 PolarHBondContact ND1-O 3.21Å
615N92.2Very high92.9Very high42 Ų4240.9 Ų40.923%0.22519%0.194CC..THydrogen-bonded Turntrans-89.1-2.6-180-73.5-43.5000114.5V591 L593 L613 Q617 R640V591-N615 PolarHBondContact O-ND2 3.49Å; L593-N615 CarbonylContact O-C 3.38Å; L613-N615 PolarHBondContact O-N 3.37Å; N615-Q617 PolarHBondContact O-N 3.25Å; N615-R640 PolarHBondContact OD1-NH1 3.48Å
616L94.7Very high93.1Very high0 Ų032.6 Ų32.60%016%0.163CC..  trans-60.6128.4-179-79.8176.7000111.6L593 L596 I610 L613 I619 R640 L641L593-L616 HydrophobicContact CB-CD2 4.36Å; L593-L616 HydrophobicContact CD2-CD2 4.26Å; L593-L616 HydrophobicContact CG-CD2 4.34Å; L593-L616 PolarHBondContact O-N 3.31Å; L596-L616 HydrophobicContact CB-CD2 3.85Å; I610-L616 HydrophobicContact CG2-CD1 3.67Å; L613-L616 HydrophobicContact CB-CD1 3.54Å; L613-L616 HydrophobicContact CB-CG 3.64Å; L613-L616 HydrophobicContact CD1-CD1 3.81Å; L613-L616 HydrophobicContact CD1-CG 4.31Å; L613-L616 HydrophobicContact CG-CD1 4.27Å; L613-L616 WeakPolarHBondContact O-CB 3.36Å; L613-L616 PolarHBondContact O-N 2.94Å; L616-I619 HydrophobicContact CD1-CD1 3.85Å; L616-I619 HydrophobicContact CD1-CG1 3.96Å; L616-R640 CarbonylContact O-C 3.56Å; L616-L641 WeakPolarHBondContact O-CA 3.37Å; L616-L641 PolarHBondContact O-N 3.49Å
617Q95.8Very high93.2Very high89 Ų8938.9 Ų38.942%0.41619%0.19SC..  trans-109.1-35.8176.1-57.8-178.823.100110.7T594 N615 R640 T642 C643T594-Q617 PolarHBondContact O-N 2.63Å; N615-Q617 PolarHBondContact O-N 3.25Å; Q617-R640 WeakPolarHBondContact CA-O 3.33Å; Q617-R640 HydrophobicContact CG-CB 4.45Å; Q617-T642 PolarHBondContact O-N 3.45Å; Q617-T642 PolarHBondContact O-OG1 3.25Å; Q617-C643 PolarHBondContact O-N 2.96Å
618E97.5Very high93.3Very high33 Ų3340 Ų4015%0.15420%0.197CC..EExtended strand (participates in β ladder)trans-132.4133.6-179.4-176.8159146.200112.2T594 E595 L596 C643 K645T594-E618 PolarHBondContact O-N 3.03Å; E595-E618 WeakPolarHBondContact CA-O 2.73Å; E595-E618 HydrophobicContact CG-CB 4.18Å; L596-E618 PolarHBondContact N-O 3.4Å; E618-C643 WeakPolarHBondContact CA-O 3.45Å; E618-C643 HydrophobicContact CB-CB 3.99Å; E618-C643 VanDerWaalsContact CD-SG 3.59Å; E618-C643 HydrophobicContact CG-CB 3.8Å; E618-C643 PolarHBondContact OE2-SG 3.47Å; E618-K645 WeakPolarHBondContact OE1-CE 3.35Å; E618-K645 IonicContact OE1-NZ 2.77Å; E618-K645 PolarHBondContact OE1-NZ 3.2Å
619I96.4Very high93.4Very high0 Ų034.2 Ų34.20%017%0.17CC..EExtended strand (participates in β ladder)trans-128.3126.2174.1-61173.3000109L596 I610 L616 L621 F635 L638 L641 C643 L644 K645L596-I619 WeakPolarHBondContact O-CA 2.78Å; I610-I619 HydrophobicContact CG2-CD1 3.98Å; L616-I619 HydrophobicContact CD1-CD1 3.85Å; L616-I619 HydrophobicContact CD1-CG1 3.96Å; I619-L621 HydrophobicContact CG2-CD1 4.3Å; I619-L621 HydrophobicContact CG2-CD2 4.05Å; I619-L621 HydrophobicContact CG2-CG 3.81Å; I619-F635 HydrophobicContact CD1-CE1 4.12Å; I619-L638 HydrophobicContact CD1-CD1 3.84Å; I619-L641 HydrophobicContact CB-CD1 4.39Å; I619-L641 HydrophobicContact CD1-CD1 3.74Å; I619-L641 HydrophobicContact CD1-CD2 4.43Å; I619-L641 HydrophobicContact CG1-CD1 3.77Å; I619-C643 PolarHBondContact N-O 3.08Å; I619-L644 HydrophobicContact CB-CD1 4.2Å; I619-L644 HydrophobicContact CG2-CD1 4.33Å; I619-K645 PolarHBondContact O-N 2.94Å
620D97.4Very high93.3Very high5 Ų537.2 Ų37.23%0.02718%0.184CC..EExtended strand (participates in β ladder)trans-121111172.3-171.2-12.6000110.7L596 E597 L598 K622 K645L596-D620 PolarHBondContact O-N 2.96Å; E597-D620 CarbonylContact C-O 3.4Å; E597-D620 WeakPolarHBondContact CA-O 3.43Å; E597-D620 HydrophobicContact CB-CB 4.26Å; E597-D620 HydrophobicContact CG-CB 4.07Å; L598-D620 PolarHBondContact N-O 2.81Å; D620-K622 VanDerWaalsContact OD1-CB 3.22Å; D620-K622 WeakPolarHBondContact OD1-CB 3.36Å; D620-K622 WeakPolarHBondContact OD1-CG 3.49Å; D620-K622 PolarHBondContact OD1-N 3.06Å; D620-K645 HydrophobicContact CB-CB 4.09Å; D620-K645 HydrophobicContact CB-CD 4.01Å
621L96.1Very high93Very high0 Ų038.1 Ų38.10%019%0.188CC..  trans-113.539.1176.5-52.8179.4000111.7L598 I606 I610 I619 N624 L626 K645 L646 N649L598-L621 HydrophobicContact CB-CD2 3.78Å; L598-L621 HydrophobicContact CD1-CD2 3.96Å; L598-L621 HydrophobicContact CG-CD2 4.16Å; I606-L621 HydrophobicContact CB-CD1 4.46Å; I606-L621 HydrophobicContact CD1-CD1 4.05Å; I606-L621 HydrophobicContact CG1-CD1 3.83Å; I606-L621 HydrophobicContact CG2-CD1 4.07Å; I610-L621 HydrophobicContact CD1-CD2 4.48Å; I619-L621 HydrophobicContact CG2-CD1 4.3Å; I619-L621 HydrophobicContact CG2-CD2 4.05Å; I619-L621 HydrophobicContact CG2-CG 3.81Å; L621-N624 PolarHBondContact O-ND2 2.86Å; L621-L626 HydrophobicContact CB-CD1 3.95Å; L621-L626 HydrophobicContact CD1-CD1 4.05Å; L621-K645 PolarHBondContact N-O 3.37Å; L621-L646 HydrophobicContact CB-CD2 3.98Å; L621-L646 HydrophobicContact CD1-CD2 3.92Å; L621-L646 HydrophobicContact CG-CD2 4.21Å; L621-N649 PolarHBondContact O-ND2 3.31Å
622K95.4Very high92.6Very high62 Ų6237.5 Ų37.527%0.2719%0.186SC..  trans-65152.7-177.674.6-171.2-175.1-161.40115.4I599 R600 D620 N624 W647I599-K622 HydrophobicContact CB-CG 4.09Å; I599-K622 HydrophobicContact CD1-CD 4.48Å; I599-K622 VanDerWaalsContact CD1-CE 3.5Å; I599-K622 HydrophobicContact CG1-CD 4.16Å; I599-K622 HydrophobicContact CG1-CG 3.89Å; I599-K622 HydrophobicContact CG2-CD 4.09Å; I599-K622 HydrophobicContact CG2-CG 3.69Å; R600-K622 PolarHBondContact N-O 3.05Å; D620-K622 VanDerWaalsContact OD1-CB 3.22Å; D620-K622 WeakPolarHBondContact OD1-CB 3.36Å; D620-K622 WeakPolarHBondContact OD1-CG 3.49Å; D620-K622 PolarHBondContact OD1-N 3.06Å; K622-N624 PolarHBondContact O-N 3.34Å; K622-N624 PolarHBondContact O-ND2 3.34Å; K622-W647 WeakPolarHBondContact CA-O 3.43Å; K622-W647 HydrophobicContact CB-CG 4.42Å; K622-W647 HydrophobicContact CD-CZ2 4.36Å; K622-W647 VanDerWaalsContact CD-NE1 3.28Å
623D95.8Very high92.2Very high80 Ų8039.5 Ų39.543%0.42819%0.192SC..SBendtrans5645.6168.7-155.711.1000110.5R600 W647 Y648R600-D623 WeakPolarHBondContact CA-O 3.44Å; R600-D623 VanDerWaalsContact CD-OD2 3.31Å; R600-D623 WeakPolarHBondContact CD-OD2 3.29Å; R600-D623 HydrophobicContact CG-CB 3.68Å; R600-D623 WeakPolarHBondContact CG-OD2 3.49Å; R600-D623 PolarHBondContact N-O 2.72Å; D623-W647 PolarHBondContact N-O 3.42Å; D623-Y648 WeakPolarHBondContact CA-O 3.28Å; D623-Y648 PolarHBondContact N-O 2.69Å
624N95.8Very high91.9Very high4 Ų441.1 Ų41.12%0.02120%0.204CC..SBendtrans-114.7177.3174.4-74.8-66.4000109.1L598 C601 D602 L603 L621 K622 L626 N649L598-N624 PolarHBondContact O-ND2 3.05Å; C601-N624 WeakPolarHBondContact CA-OD1 3.31Å; C601-N624 WeakPolarHBondContact CB-OD1 3.5Å; C601-N624 PolarHBondContact N-OD1 2.87Å; D602-N624 PolarHBondContact N-OD1 3.08Å; L603-N624 HydrophobicContact CB-CB 4.11Å; L603-N624 PolarHBondContact N-OD1 3.48Å; L621-N624 PolarHBondContact O-ND2 2.86Å; K622-N624 PolarHBondContact O-N 3.34Å; K622-N624 PolarHBondContact O-ND2 3.34Å; N624-L626 VanDerWaalsContact C-N 3.32Å; N624-L626 HydrophobicContact CB-CG 4.07Å; N624-L626 PolarHBondContact O-N 3.19Å; N624-N649 WeakPolarHBondContact CA-OD1 3.2Å; N624-N649 VanDerWaalsContact CB-OD1 3.29Å; N624-N649 WeakPolarHBondContact CB-OD1 3.4Å; N624-N649 PolarHBondContact N-OD1 3.2Å; N624-N649 PolarHBondContact O-OD1 3.39Å
625N94.8Very high91.5Very high65 Ų6536.4 Ų36.435%0.34818%0.182SC..  trans-9732.2179.5-79.1-22.4000112.2D602 L603 E604 K627D602-N625 PolarHBondContact OD1-ND2 3Å; L603-N625 CarbonylContact O-C 3.46Å; L603-N625 WeakPolarHBondContact O-CA 3.27Å; L603-N625 PolarHBondContact O-N 2.68Å; E604-N625 HydrophobicContact CG-CB 4.47Å; N625-K627 PolarHBondContact O-N 3.42Å
626L95Very high90.8Very high0 Ų039.1 Ų39.10%019%0.193CC..  trans-68.8116.9-178.6-57.6175000110.1L603 R605 I606 L621 N624 L646 N649 H650 I651L603-L626 HydrophobicContact CB-CD2 4.24Å; L603-L626 WeakPolarHBondContact O-CD2 3.4Å; L603-L626 PolarHBondContact O-N 3.33Å; R605-L626 VanDerWaalsContact C-CD2 3.47Å; I606-L626 HydrophobicContact CG1-CD1 4.25Å; I606-L626 HydrophobicContact CG1-CD2 4.2Å; L621-L626 HydrophobicContact CB-CD1 3.95Å; L621-L626 HydrophobicContact CD1-CD1 4.05Å; N624-L626 VanDerWaalsContact C-N 3.32Å; N624-L626 HydrophobicContact CB-CG 4.07Å; N624-L626 PolarHBondContact O-N 3.19Å; L626-L646 HydrophobicContact CD1-CD2 4.26Å; L626-N649 HydrophobicContact CB-CB 4.21Å; L626-N649 VanDerWaalsContact CB-OD1 3.22Å; L626-N649 WeakPolarHBondContact CB-OD1 3.4Å; L626-N649 VanDerWaalsContact CG-OD1 3.26Å; L626-N649 WeakPolarHBondContact CG-OD1 3.49Å; L626-N649 PolarHBondContact N-OD1 3.36Å; L626-H650 CarbonylContact O-C 3.54Å; L626-H650 VanDerWaalsContact O-CA 3.28Å; L626-H650 WeakPolarHBondContact O-CA 3.49Å; L626-H650 PolarHBondContact O-N 2.93Å; L626-I651 HydrophobicContact CB-CG1 4.45Å; L626-I651 PolarHBondContact O-N 2.99Å
627K93.9Very high90.3Very high135 Ų13542.9 Ų42.959%0.58721%0.211SC*.  trans-95.6-29.5177-64.9178.5-176.2173.40113N625 H650 I651 A652N625-K627 PolarHBondContact O-N 3.42Å; K627-H650 WeakPolarHBondContact CA-O 3.34Å; K627-H650 HydrophobicContact CG-CB 4.2Å; K627-I651 WeakPolarHBondContact O-CA 3.49Å; K627-A652 PolarHBondContact O-N 3.35Å
628T91.5Very high90Very high43 Ų4339 Ų3926%0.26419%0.193SC..  trans-135.4156.9-177.559.80000109.5
629I90.4Very high89.3Confident2 Ų243.4 Ų43.41%0.0121%0.213CC..  trans-130.431.1175.460.4-177000110.8I606 E631 I632 L646 I651 I654 P655I606-I629 HydrophobicContact CD1-CB 4.49Å; I606-I629 HydrophobicContact CD1-CG2 4.23Å; I629-E631 PolarHBondContact O-N 2.88Å; I629-E631 VanDerWaalsContact O-N 3.17Å; I629-I632 HydrophobicContact CB-CD1 3.7Å; I629-I632 HydrophobicContact CB-CG1 4.08Å; I629-I632 HydrophobicContact CD1-CD1 3.52Å; I629-I632 HydrophobicContact CG1-CD1 3.66Å; I629-I632 HydrophobicContact CG1-CG1 4.46Å; I629-I632 WeakPolarHBondContact O-CB 3.33Å; I629-I632 WeakPolarHBondContact O-CG1 3.29Å; I629-I632 PolarHBondContact O-N 2.61Å; I629-L646 HydrophobicContact CD1-CD1 4.31Å; I629-L646 HydrophobicContact CG2-CD1 4.17Å; I629-I651 HydrophobicContact CD1-CD1 4.47Å; I629-I651 HydrophobicContact CD1-CG2 4.04Å; I629-I651 HydrophobicContact CG1-CG2 4.27Å; I629-I651 HydrophobicContact CG2-CD1 3.58Å; I629-I651 HydrophobicContact CG2-CG1 3.93Å; I629-I651 HydrophobicContact CG2-CG2 4.41Å; I629-I654 HydrophobicContact CD1-CG2 4.49Å; I629-P655 HydrophobicContact CG1-CG 3.93Å
630E86.2Confident89.1Confident65 Ų6550.3 Ų50.330%0.30424%0.239SC..G310 helixtrans-58.4-25.8177-72.7-65.316100112.3I632 I633 Y653E630-I632 PolarHBondContact O-N 3.17Å; E630-I633 WeakPolarHBondContact O-CD1 3.36Å; E630-I633 VanDerWaalsContact O-CG1 3.29Å; E630-I633 WeakPolarHBondContact O-CG1 3.29Å; E630-I633 PolarHBondContact O-N 3.31Å; E630-Y653 WeakPolarHBondContact OE1-CE2 3.46Å; E630-Y653 PolarHBondContact OE1-OH 2.77Å
631E85.3Confident89Confident20 Ų2050.3 Ų50.39%0.09324%0.239CC..G310 helixtrans-61.8-10.6173.2-59.585.7169.700113.1R605 I606 F611 I629 I633 S634R605-E631 WeakPolarHBondContact CD-OE1 3.39Å; I606-E631 HydrophobicContact CB-CB 4.23Å; F611-E631 HydrophobicContact CE2-CB 4.17Å; F611-E631 HydrophobicContact CZ-CB 3.88Å; I629-E631 PolarHBondContact O-N 2.88Å; I629-E631 VanDerWaalsContact O-N 3.17Å; E631-I633 PolarHBondContact O-N 2.96Å; E631-I633 VanDerWaalsContact O-N 3.12Å; E631-S634 WeakPolarHBondContact O-CB 3.34Å; E631-S634 PolarHBondContact O-N 2.88Å
632I80.6Confident89Confident2 Ų252.2 Ų52.21%0.0125%0.251CS..G310 helixtrans-55.4-24.3171.1-72.1177.5000113.1I629 E630 S634 F635 P655 I658 L661I629-I632 HydrophobicContact CB-CD1 3.7Å; I629-I632 HydrophobicContact CB-CG1 4.08Å; I629-I632 HydrophobicContact CD1-CD1 3.52Å; I629-I632 HydrophobicContact CG1-CD1 3.66Å; I629-I632 HydrophobicContact CG1-CG1 4.46Å; I629-I632 WeakPolarHBondContact O-CB 3.33Å; I629-I632 WeakPolarHBondContact O-CG1 3.29Å; I629-I632 PolarHBondContact O-N 2.61Å; E630-I632 PolarHBondContact O-N 3.17Å; I632-S634 PolarHBondContact O-N 3.37Å; I632-S634 VanDerWaalsContact O-N 3.09Å; I632-F635 HydrophobicContact CB-CD2 4.22Å; I632-F635 HydrophobicContact CB-CE2 4.42Å; I632-F635 HydrophobicContact CG1-CD2 4.02Å; I632-F635 HydrophobicContact CG1-CE2 3.77Å; I632-F635 HydrophobicContact CG1-CG 4.47Å; I632-F635 HydrophobicContact CG1-CZ 4.18Å; I632-F635 WeakPolarHBondContact O-CB 3.37Å; I632-F635 PolarHBondContact O-N 2.98Å; I632-P655 HydrophobicContact CB-CG 4.42Å; I632-I658 HydrophobicContact CD1-CD1 3.85Å; I632-I658 HydrophobicContact CG2-CD1 4.35Å; I632-L661 HydrophobicContact CG2-CD1 4.2Å
633I80.3Confident89.1Confident80 Ų8049.2 Ų49.241%0.4124%0.238SC..G310 helixtrans-51.5-36.9171.2-60.6162.2000111.1E630 E631 F635 Q636 Q657E630-I633 WeakPolarHBondContact O-CD1 3.36Å; E630-I633 VanDerWaalsContact O-CG1 3.29Å; E630-I633 WeakPolarHBondContact O-CG1 3.29Å; E630-I633 PolarHBondContact O-N 3.31Å; E631-I633 PolarHBondContact O-N 2.96Å; E631-I633 VanDerWaalsContact O-N 3.12Å; I633-F635 VanDerWaalsContact C-N 3.34Å; I633-F635 PolarHBondContact O-N 3.15Å; I633-Q636 WeakPolarHBondContact O-CG 3.48Å; I633-Q657 HydrophobicContact CG1-CB 4.22Å; I633-Q657 HydrophobicContact CG1-CG 3.84Å
634S85.8Confident89.2Confident35 Ų3545.4 Ų45.425%0.24522%0.218CC..G310 helixtrans-82.2-8.2-178.7-61.40000114.1E631 I632 Q636 H637E631-S634 WeakPolarHBondContact O-CB 3.34Å; E631-S634 PolarHBondContact O-N 2.88Å; I632-S634 PolarHBondContact O-N 3.37Å; I632-S634 VanDerWaalsContact O-N 3.09Å; S634-Q636 PolarHBondContact O-N 2.95Å; S634-H637 PolarHBondContact O-N 2.96Å; S634-H637 PolarHBondContact O-ND1 2.97Å
635F81.3Confident89.3Confident2 Ų246.9 Ų46.91%0.00922%0.224CC..G310 helixtrans-72.7-12.1178.3-77.6-126.1000112.5I606 F611 I619 I632 I633 H637 L638 L641 L644 L661I606-F635 HydrophobicContact CD1-CE2 4.08Å; I606-F635 HydrophobicContact CD1-CZ 3.95Å; I606-F635 HydrophobicContact CG2-CE2 4.4Å; I606-F635 HydrophobicContact CG2-CZ 4.43Å; F611-F635 AromaticContact CD1-CD2 3.97Å; F611-F635 HydrophobicContact CD1-CD2 3.97Å; F611-F635 HydrophobicContact CD1-CE2 4.32Å; F611-F635 AromaticContact CE1-CD2 3.21Å; F611-F635 HydrophobicContact CE1-CD2 3.21Å; F611-F635 AromaticContact CE1-CE2 3.22Å; F611-F635 HydrophobicContact CE1-CE2 3.22Å; F611-F635 HydrophobicContact CE1-CG 4.15Å; F611-F635 HydrophobicContact CE1-CZ 4.04Å; F611-F635 AromaticContact CZ-CD2 3.91Å; F611-F635 HydrophobicContact CZ-CD2 3.91Å; F611-F635 AromaticContact CZ-CE2 3.69Å; F611-F635 HydrophobicContact CZ-CE2 3.69Å; I619-F635 HydrophobicContact CD1-CE1 4.12Å; I632-F635 HydrophobicContact CB-CD2 4.22Å; I632-F635 HydrophobicContact CB-CE2 4.42Å; I632-F635 HydrophobicContact CG1-CD2 4.02Å; I632-F635 HydrophobicContact CG1-CE2 3.77Å; I632-F635 HydrophobicContact CG1-CG 4.47Å; I632-F635 HydrophobicContact CG1-CZ 4.18Å; I632-F635 WeakPolarHBondContact O-CB 3.37Å; I632-F635 PolarHBondContact O-N 2.98Å; I633-F635 VanDerWaalsContact C-N 3.34Å; I633-F635 PolarHBondContact O-N 3.15Å; F635-H637 PolarHBondContact O-N 3.28Å; F635-H637 VanDerWaalsContact O-N 3.07Å; F635-L638 HydrophobicContact CD1-CD1 3.96Å; F635-L638 HydrophobicContact CE1-CD1 4.44Å; F635-L638 HydrophobicContact CG-CD1 4.2Å; F635-L638 WeakPolarHBondContact O-CB 3.37Å; F635-L638 PolarHBondContact O-N 3.09Å; F635-L641 HydrophobicContact CD1-CD2 3.58Å; F635-L641 HydrophobicContact CE1-CD2 4.02Å; F635-L644 HydrophobicContact CE1-CD1 3.92Å; F635-L644 HydrophobicContact CE1-CD2 4.18Å; F635-L644 HydrophobicContact CZ-CD1 4.49Å; F635-L661 HydrophobicContact CB-CD1 4.24Å; F635-L661 HydrophobicContact CB-CD2 3.43Å; F635-L661 VanDerWaalsContact CB-CD2 3.43Å; F635-L661 HydrophobicContact CB-CG 4.44Å; F635-L661 HydrophobicContact CD1-CD1 4.15Å; F635-L661 HydrophobicContact CG-CD2 4.48Å
636Q76.3Confident89.4Confident99 Ų9943.8 Ų43.846%0.46321%0.207SC..G310 helixtrans-55.2-24.5169.869.8-178.2600112.9I633 S634 L638 H639I633-Q636 WeakPolarHBondContact O-CG 3.48Å; S634-Q636 PolarHBondContact O-N 2.95Å; Q636-L638 VanDerWaalsContact C-N 3.28Å; Q636-H639 PolarHBondContact O-CE1 3.42Å; Q636-H639 PolarHBondContact O-ND1 3.47Å; Q636-H639 VanDerWaalsContact O-ND1 3.13Å
637H84.6Confident89.5Confident80 Ų8046.1 Ų46.137%0.3722%0.216SC..G310 helixtrans-79-8.8176.5-51.4105.2000113.6H614 S634 F635 H639H614-H637 PolarHBondContact ND1-O 3.21Å; S634-H637 PolarHBondContact O-N 2.96Å; S634-H637 PolarHBondContact O-ND1 2.97Å; F635-H637 PolarHBondContact O-N 3.28Å; F635-H637 VanDerWaalsContact O-N 3.07Å; H637-H639 PolarHBondContact O-N 3.17Å
638L89Confident89.6Confident6 Ų644.4 Ų44.43%0.03121%0.206CC..  trans-100.168.8-179.9-57.9-179.8000110.2F611 L613 I619 F635 Q636 R640 L641F611-L638 HydrophobicContact CD1-CD1 4.3Å; L613-L638 WeakPolarHBondContact O-CD2 3.33Å; I619-L638 HydrophobicContact CD1-CD1 3.84Å; F635-L638 HydrophobicContact CD1-CD1 3.96Å; F635-L638 HydrophobicContact CE1-CD1 4.44Å; F635-L638 HydrophobicContact CG-CD1 4.2Å; F635-L638 WeakPolarHBondContact O-CB 3.37Å; F635-L638 PolarHBondContact O-N 3.09Å; Q636-L638 VanDerWaalsContact C-N 3.28Å; L638-R640 PolarHBondContact O-N 2.99Å; L638-L641 HydrophobicContact CB-CB 4.17Å; L638-L641 WeakPolarHBondContact O-CB 3.38Å; L638-L641 PolarHBondContact O-N 2.98Å
639H84.6Confident89.9Confident127 Ų12742.5 Ų42.559%0.58820%0.195SC*.THydrogen-bonded Turntrans-62.7-19.9-171.5-54.9-57.5000114.6Q636 H637 N663Q636-H639 PolarHBondContact O-CE1 3.42Å; Q636-H639 PolarHBondContact O-ND1 3.47Å; Q636-H639 VanDerWaalsContact O-ND1 3.13Å; H637-H639 PolarHBondContact O-N 3.17Å; H639-N663 PolarHBondContact O-ND2 3.44Å
640R91.8Very high90.2Very high144 Ų14446 Ų4654%0.54321%0.211SC..THydrogen-bonded Turntrans-99.83.1-177.8-65.4-177.3176.4-178.7-4.8114N615 L616 Q617 L638 T642N615-R640 PolarHBondContact OD1-NH1 3.48Å; L616-R640 CarbonylContact O-C 3.56Å; Q617-R640 WeakPolarHBondContact CA-O 3.33Å; Q617-R640 HydrophobicContact CG-CB 4.45Å; L638-R640 PolarHBondContact O-N 2.99Å; R640-T642 PolarHBondContact O-N 2.57Å
641L94.9Very high90.7Very high5 Ų543 Ų433%0.02620%0.197CC..  trans-67.5119.3-177.1-171.870.9000110.8L616 I619 F635 L638 L661 N663 L664L616-L641 WeakPolarHBondContact O-CA 3.37Å; L616-L641 PolarHBondContact O-N 3.49Å; I619-L641 HydrophobicContact CB-CD1 4.39Å; I619-L641 HydrophobicContact CD1-CD1 3.74Å; I619-L641 HydrophobicContact CD1-CD2 4.43Å; I619-L641 HydrophobicContact CG1-CD1 3.77Å; F635-L641 HydrophobicContact CD1-CD2 3.58Å; F635-L641 HydrophobicContact CE1-CD2 4.02Å; L638-L641 HydrophobicContact CB-CB 4.17Å; L638-L641 WeakPolarHBondContact O-CB 3.38Å; L638-L641 PolarHBondContact O-N 2.98Å; L641-L661 HydrophobicContact CD2-CD1 4.45Å; L641-N663 CarbonylContact O-C 3.36Å; L641-L664 HydrophobicContact CD2-CD1 4.15Å; L641-L664 HydrophobicContact CG-CD1 4.24Å
642T96.6Very high91.2Very high40 Ų4044.3 Ų44.325%0.24521%0.211CC..  trans-115.4-22.8178.960.40000112.4Q617 R640 E665 R666Q617-T642 PolarHBondContact O-N 3.45Å; Q617-T642 PolarHBondContact O-OG1 3.25Å; R640-T642 PolarHBondContact O-N 2.57Å; T642-E665 WeakPolarHBondContact O-CA 3.47Å; T642-E665 PolarHBondContact O-N 2.84Å; T642-R666 PolarHBondContact O-N 3.07Å
643C97.8Very high91.8Very high0 Ų049.2 Ų49.20%023%0.23CC..EExtended strand (participates in β ladder)trans-133.7119.4-174.4-171.60000110.6Q617 E618 I619 R666Q617-C643 PolarHBondContact O-N 2.96Å; E618-C643 WeakPolarHBondContact CA-O 3.45Å; E618-C643 HydrophobicContact CB-CB 3.99Å; E618-C643 VanDerWaalsContact CD-SG 3.59Å; E618-C643 HydrophobicContact CG-CB 3.8Å; E618-C643 PolarHBondContact OE2-SG 3.47Å; I619-C643 PolarHBondContact N-O 3.08Å; C643-R666 WeakPolarHBondContact CA-O 3.36Å; C643-R666 HydrophobicContact CB-CB 4.32Å
644L96.4Very high92.5Very high0 Ų045.8 Ų45.80%021%0.213CC..EExtended strand (participates in β ladder)trans-124115.7176.5179.958.6000110.1I619 F635 L646 I658 L661 L664 R666 L667 Y668I619-L644 HydrophobicContact CB-CD1 4.2Å; I619-L644 HydrophobicContact CG2-CD1 4.33Å; F635-L644 HydrophobicContact CE1-CD1 3.92Å; F635-L644 HydrophobicContact CE1-CD2 4.18Å; F635-L644 HydrophobicContact CZ-CD1 4.49Å; L644-L646 HydrophobicContact CD1-CD1 4.11Å; L644-L646 HydrophobicContact CD1-CD2 4.07Å; L644-L646 HydrophobicContact CD1-CG 3.89Å; L644-L646 HydrophobicContact CD2-CD1 3.9Å; L644-L646 HydrophobicContact CD2-CG 4.49Å; L644-L646 HydrophobicContact CG-CD1 3.9Å; L644-L646 HydrophobicContact CG-CG 3.95Å; L644-I658 HydrophobicContact CD2-CD1 4.44Å; L644-L661 HydrophobicContact CD2-CD1 4.23Å; L644-L664 HydrophobicContact CB-CD1 3.79Å; L644-R666 PolarHBondContact N-O 3.4Å; L644-L667 HydrophobicContact CB-CD1 4.12Å; L644-L667 HydrophobicContact CD2-CD1 4.11Å; L644-L667 HydrophobicContact CG-CD1 4.16Å; L644-L667 WeakPolarHBondContact O-CA 3.35Å; L644-Y668 PolarHBondContact O-N 3.39Å
645K97.8Very high92.9Very high34 Ų3444.4 Ų44.415%0.14820%0.203CC..EExtended strand (participates in β ladder)trans-113.7115.2179-65.9163.2177.1174.60109.9E618 I619 D620 L621 W647 Y668E618-K645 WeakPolarHBondContact OE1-CE 3.35Å; E618-K645 IonicContact OE1-NZ 2.77Å; E618-K645 PolarHBondContact OE1-NZ 3.2Å; I619-K645 PolarHBondContact O-N 2.94Å; D620-K645 HydrophobicContact CB-CB 4.09Å; D620-K645 HydrophobicContact CB-CD 4.01Å; L621-K645 PolarHBondContact N-O 3.37Å; K645-W647 HydrophobicContact CD-CH2 4.13Å; K645-W647 HydrophobicContact CD-CZ2 4.26Å; K645-W647 HydrophobicContact CG-CH2 4.44Å; K645-Y668 HydrophobicContact CD-CD2 4.5Å; K645-Y668 HydrophobicContact CG-CD2 3.49Å; K645-Y668 VanDerWaalsContact CG-CD2 3.49Å; K645-Y668 HydrophobicContact CG-CE2 4.15Å; K645-Y668 HydrophobicContact CG-CG 4.18Å
646L96.7Very high93.3Very high0 Ų049.8 Ų49.80%023%0.23CC..  trans-130.926-176.9-64174.3000111.2L621 L626 I629 L644 N649 I651 Y668 L669 N672L621-L646 HydrophobicContact CB-CD2 3.98Å; L621-L646 HydrophobicContact CD1-CD2 3.92Å; L621-L646 HydrophobicContact CG-CD2 4.21Å; L626-L646 HydrophobicContact CD1-CD2 4.26Å; I629-L646 HydrophobicContact CD1-CD1 4.31Å; I629-L646 HydrophobicContact CG2-CD1 4.17Å; L644-L646 HydrophobicContact CD1-CD1 4.11Å; L644-L646 HydrophobicContact CD1-CD2 4.07Å; L644-L646 HydrophobicContact CD1-CG 3.89Å; L644-L646 HydrophobicContact CD2-CD1 3.9Å; L644-L646 HydrophobicContact CD2-CG 4.49Å; L644-L646 HydrophobicContact CG-CD1 3.9Å; L644-L646 HydrophobicContact CG-CG 3.95Å; L646-N649 PolarHBondContact O-ND2 3.41Å; L646-I651 HydrophobicContact CB-CD1 3.91Å; L646-I651 HydrophobicContact CD1-CD1 4.36Å; L646-Y668 CarbonylContact C-O 3.29Å; L646-Y668 PolarHBondContact N-O 3.47Å; L646-L669 HydrophobicContact CB-CD2 3.85Å; L646-L669 HydrophobicContact CD1-CD2 4.03Å; L646-N672 PolarHBondContact O-ND2 2.94Å
647W97.4Very high94Very high50 Ų5048.1 Ų48.119%0.18922%0.222CC..  trans-72.2164.1-176.560.233.2000112.4K622 D623 K645 N649 Y668 N670K622-W647 WeakPolarHBondContact CA-O 3.43Å; K622-W647 HydrophobicContact CB-CG 4.42Å; K622-W647 HydrophobicContact CD-CZ2 4.36Å; K622-W647 VanDerWaalsContact CD-NE1 3.28Å; D623-W647 PolarHBondContact N-O 3.42Å; K645-W647 HydrophobicContact CD-CH2 4.13Å; K645-W647 HydrophobicContact CD-CZ2 4.26Å; K645-W647 HydrophobicContact CG-CH2 4.44Å; W647-N649 PolarHBondContact O-N 3.01Å; W647-N649 PolarHBondContact O-ND2 2.9Å; W647-Y668 AromaticContact CE3-CD1 3.77Å; W647-Y668 HydrophobicContact CE3-CD1 3.77Å; W647-Y668 AromaticContact CE3-CG 3.77Å; W647-Y668 HydrophobicContact CE3-CG 3.77Å; W647-Y668 AromaticContact CZ3-CD1 3.6Å; W647-Y668 HydrophobicContact CZ3-CD1 3.6Å; W647-Y668 HydrophobicContact CZ3-CD2 4.34Å; W647-Y668 HydrophobicContact CZ3-CE1 4.1Å; W647-Y668 AromaticContact CZ3-CG 3.75Å; W647-Y668 HydrophobicContact CZ3-CG 3.75Å; W647-N670 CarbonylContact C-O 3.56Å; W647-N670 WeakPolarHBondContact CA-O 3.26Å; W647-N670 VanDerWaalsContact CB-O 3.31Å; W647-N670 WeakPolarHBondContact CB-O 3.47Å; W647-N670 WeakPolarHBondContact CB-OD1 3.37Å
648Y97.3Very high94.3Very high98 Ų9844.4 Ų44.438%0.38421%0.205SC..SBendtrans51.754179.7-66.5-104.1000112.1D623 N670 R671D623-Y648 WeakPolarHBondContact CA-O 3.28Å; D623-Y648 PolarHBondContact N-O 2.69Å; Y648-N670 PolarHBondContact N-O 3.4Å; Y648-R671 WeakPolarHBondContact CA-O 3.47Å; Y648-R671 HydrophobicContact CD1-CB 4.36Å; Y648-R671 HydrophobicContact CD2-CB 4.5Å; Y648-R671 HydrophobicContact CE1-CG 4.49Å; Y648-R671 HydrophobicContact CG-CB 4.28Å; Y648-R671 PolarHBondContact N-O 3.06Å; Y648-R671 PolarHBondContact OH-NE 2.67Å
649N97.4Very high94.4Very high4 Ų444.3 Ų44.32%0.02121%0.205CC..SBendtrans-129.4-164.2177.2-85.8-83.1000109.1L621 N624 L626 L646 W647 I651 R671 N672L621-N649 PolarHBondContact O-ND2 3.31Å; N624-N649 WeakPolarHBondContact CA-OD1 3.2Å; N624-N649 VanDerWaalsContact CB-OD1 3.29Å; N624-N649 WeakPolarHBondContact CB-OD1 3.4Å; N624-N649 PolarHBondContact N-OD1 3.2Å; N624-N649 PolarHBondContact O-OD1 3.39Å; L626-N649 HydrophobicContact CB-CB 4.21Å; L626-N649 VanDerWaalsContact CB-OD1 3.22Å; L626-N649 WeakPolarHBondContact CB-OD1 3.4Å; L626-N649 VanDerWaalsContact CG-OD1 3.26Å; L626-N649 WeakPolarHBondContact CG-OD1 3.49Å; L626-N649 PolarHBondContact N-OD1 3.36Å; L646-N649 PolarHBondContact O-ND2 3.41Å; W647-N649 PolarHBondContact O-N 3.01Å; W647-N649 PolarHBondContact O-ND2 2.9Å; N649-I651 HydrophobicContact CB-CD1 4.22Å; N649-I651 HydrophobicContact CB-CG1 4.11Å; N649-R671 PolarHBondContact N-O 3.41Å; N649-N672 WeakPolarHBondContact CA-OD1 3.33Å; N649-N672 WeakPolarHBondContact CB-OD1 3.19Å; N649-N672 PolarHBondContact N-OD1 3.44Å; N649-N672 PolarHBondContact O-OD1 2.88Å
650H97Very high94.6Very high76 Ų7642.7 Ų42.735%0.35220%0.201SC..  trans-12029179.2-63.2-30.2000112.4L626 K627 A652 N672L626-H650 CarbonylContact O-C 3.54Å; L626-H650 VanDerWaalsContact O-CA 3.28Å; L626-H650 WeakPolarHBondContact O-CA 3.49Å; L626-H650 PolarHBondContact O-N 2.93Å; K627-H650 WeakPolarHBondContact CA-O 3.34Å; K627-H650 HydrophobicContact CG-CB 4.2Å; H650-A652 PolarHBondContact O-N 3.03Å; H650-N672 PolarHBondContact N-OD1 2.85Å
651I96.9Very high94.6Very high0 Ų036.4 Ų36.40%018%0.178CC..  trans-66.4120-175.6-58.2166.9000109.3L626 K627 I629 L646 N649 Y653 L669 N672 K673 I674L626-I651 HydrophobicContact CB-CG1 4.45Å; L626-I651 PolarHBondContact O-N 2.99Å; K627-I651 WeakPolarHBondContact O-CA 3.49Å; I629-I651 HydrophobicContact CD1-CD1 4.47Å; I629-I651 HydrophobicContact CD1-CG2 4.04Å; I629-I651 HydrophobicContact CG1-CG2 4.27Å; I629-I651 HydrophobicContact CG2-CD1 3.58Å; I629-I651 HydrophobicContact CG2-CG1 3.93Å; I629-I651 HydrophobicContact CG2-CG2 4.41Å; L646-I651 HydrophobicContact CB-CD1 3.91Å; L646-I651 HydrophobicContact CD1-CD1 4.36Å; N649-I651 HydrophobicContact CB-CD1 4.22Å; N649-I651 HydrophobicContact CB-CG1 4.11Å; I651-Y653 VanDerWaalsContact CG2-O 3.3Å; I651-Y653 WeakPolarHBondContact CG2-O 3.26Å; I651-L669 HydrophobicContact CD1-CD2 4.24Å; I651-N672 HydrophobicContact CB-CB 4.2Å; I651-N672 VanDerWaalsContact CB-OD1 3.32Å; I651-N672 WeakPolarHBondContact CB-OD1 3.46Å; I651-N672 WeakPolarHBondContact CG1-OD1 3.34Å; I651-N672 PolarHBondContact N-OD1 3.45Å; I651-K673 CarbonylContact O-C 3.52Å; I651-K673 VanDerWaalsContact O-C 3.29Å; I651-K673 WeakPolarHBondContact O-CA 3.28Å; I651-K673 PolarHBondContact O-N 2.9Å; I651-I674 HydrophobicContact CG2-CG1 4.32Å; I651-I674 WeakPolarHBondContact O-CG1 3.29Å; I651-I674 PolarHBondContact O-N 3.46Å
652A94.7Very high94.4Very high49 Ų4939.7 Ų39.741%0.40520%0.198SC..  trans-87.4-30-177.300000113.7K627 H650 I674K627-A652 PolarHBondContact O-N 3.35Å; H650-A652 PolarHBondContact O-N 3.03Å; A652-I674 WeakPolarHBondContact O-CA 3.42Å
653Y94.2Very high94.3Very high104 Ų10440.5 Ų40.541%0.40820%0.201SC..  trans-153.1159.2178.666.7-86.7000111.1E630 I651E630-Y653 WeakPolarHBondContact OE1-CE2 3.46Å; E630-Y653 PolarHBondContact OE1-OH 2.77Å; I651-Y653 VanDerWaalsContact CG2-O 3.3Å; I651-Y653 WeakPolarHBondContact CG2-O 3.26Å
654I94.7Very high94.2Very high9 Ų940.6 Ų40.65%0.04620%0.202CC..  trans-99.8124.6174.9-52.1167.3000107.8I629 I658 L669 I674 P678 L681 L692I629-I654 HydrophobicContact CD1-CG2 4.49Å; I654-I658 HydrophobicContact CG2-CB 3.87Å; I654-I658 HydrophobicContact CG2-CG1 4.15Å; I654-I658 HydrophobicContact CG2-CG2 3.74Å; I654-L669 HydrophobicContact CD1-CD1 3.55Å; I654-L669 HydrophobicContact CG1-CD1 4.05Å; I654-I674 HydrophobicContact CD1-CD1 4.16Å; I654-I674 HydrophobicContact CD1-CG2 4.23Å; I654-I674 HydrophobicContact CG1-CD1 3.95Å; I654-I674 HydrophobicContact CG1-CG1 4.48Å; I654-I674 HydrophobicContact CG1-CG2 4.13Å; I654-P678 HydrophobicContact CB-CG 3.89Å; I654-P678 HydrophobicContact CG2-CG 3.9Å; I654-P678 WeakPolarHBondContact O-CG 3.3Å; I654-L681 HydrophobicContact CD1-CD1 4.06Å; I654-L692 HydrophobicContact CD1-CD2 4.35Å
655P92.8Very high94.2Very high6 Ų642.6 Ų42.64%0.03921%0.211CC..  trans-73.2151.117931.2-35000111I629 I632 Q657 I658I629-P655 HydrophobicContact CG1-CG 3.93Å; I632-P655 HydrophobicContact CB-CG 4.42Å; P655-Q657 PolarHBondContact O-N 3.47Å; P655-Q657 VanDerWaalsContact O-N 3.08Å; P655-I658 WeakPolarHBondContact O-CG2 3.31Å; P655-I658 PolarHBondContact O-N 3.18Å; P655-I658 VanDerWaalsContact O-N 3.13Å
656M91.1Very high94.3Very high114 Ų11445 Ų4556%0.56222%0.219SC*.G310 helixtrans-61.7-22.7-175.5-59.4-154.7-57.200112.9I658 G659 P678 Q680M656-I658 PolarHBondContact O-N 3.5Å; M656-G659 PolarHBondContact O-N 2.99Å; M656-P678 HydrophobicContact CG-CB 4.41Å; M656-Q680 HydrophobicContact CB-CB 4.39Å; M656-Q680 HydrophobicContact CB-CG 3.98Å; M656-Q680 WeakPolarHBondContact O-CB 3.29Å; M656-Q680 VanDerWaalsContact SD-CD 3.53Å; M656-Q680 PolarHBondContact SD-NE2 3.31Å; M656-Q680 PolarHBondContact SD-OE1 2.96Å
657Q90.6Very high94.3Very high65 Ų6545.1 Ų45.130%0.30422%0.22SC..G310 helixtrans-69.4-9.8179.6-62.686-11.100113.6I633 P655 G659 N660I633-Q657 HydrophobicContact CG1-CB 4.22Å; I633-Q657 HydrophobicContact CG1-CG 3.84Å; P655-Q657 PolarHBondContact O-N 3.47Å; P655-Q657 VanDerWaalsContact O-N 3.08Å; Q657-G659 PolarHBondContact O-N 3.43Å; Q657-G659 VanDerWaalsContact O-N 3.15Å; Q657-N660 WeakPolarHBondContact O-CB 3.36Å; Q657-N660 PolarHBondContact O-N 3.39Å
658I91.3Very high94.4Very high1 Ų144.8 Ų44.81%0.00522%0.219CC..G310 helixtrans-53.6-31.8168.8-165.872.4000111.7I632 L644 I654 P655 M656 N660 L661 P678 L681 C684I632-I658 HydrophobicContact CD1-CD1 3.85Å; I632-I658 HydrophobicContact CG2-CD1 4.35Å; L644-I658 HydrophobicContact CD2-CD1 4.44Å; I654-I658 HydrophobicContact CG2-CB 3.87Å; I654-I658 HydrophobicContact CG2-CG1 4.15Å; I654-I658 HydrophobicContact CG2-CG2 3.74Å; P655-I658 WeakPolarHBondContact O-CG2 3.31Å; P655-I658 PolarHBondContact O-N 3.18Å; P655-I658 VanDerWaalsContact O-N 3.13Å; M656-I658 PolarHBondContact O-N 3.5Å; I658-N660 PolarHBondContact O-N 2.93Å; I658-N660 VanDerWaalsContact O-N 3.16Å; I658-L661 HydrophobicContact CD1-CD1 3.9Å; I658-L661 WeakPolarHBondContact O-CB 3.47Å; I658-L661 PolarHBondContact O-N 3.19Å; I658-P678 HydrophobicContact CG2-CG 4.18Å; I658-L681 HydrophobicContact CG2-CB 4.05Å; I658-C684 PolarHBondContact O-SG 3.25Å
659G89.9Confident94.4Very high4 Ų440.2 Ų40.24%0.04120%0.201CC..G310 helixtrans-64.8-16.3178.500000114.7M656 Q657 L661 Q680M656-G659 PolarHBondContact O-N 2.99Å; Q657-G659 PolarHBondContact O-N 3.43Å; Q657-G659 VanDerWaalsContact O-N 3.15Å; G659-L661 PolarHBondContact O-N 3.11Å; G659-Q680 WeakPolarHBondContact CA-O 3.45Å
660N89.6Confident94.4Very high93 Ų9340.7 Ų40.750%0.49720%0.204SC..G310 helixtrans-73.7-16.7174.2-65.3-5.6000112Q657 I658 T662Q657-N660 WeakPolarHBondContact O-CB 3.36Å; Q657-N660 PolarHBondContact O-N 3.39Å; I658-N660 PolarHBondContact O-N 2.93Å; I658-N660 VanDerWaalsContact O-N 3.16Å; N660-T662 PolarHBondContact O-N 3.46Å
661L91.2Very high94.4Very high13 Ų1342.5 Ų42.57%0.06821%0.207CC..  trans-83.258.5179.7-50.8-172.4000111.4I632 F635 L641 L644 I658 G659 N663 L664 C684I632-L661 HydrophobicContact CG2-CD1 4.2Å; F635-L661 HydrophobicContact CB-CD1 4.24Å; F635-L661 HydrophobicContact CB-CD2 3.43Å; F635-L661 VanDerWaalsContact CB-CD2 3.43Å; F635-L661 HydrophobicContact CB-CG 4.44Å; F635-L661 HydrophobicContact CD1-CD1 4.15Å; F635-L661 HydrophobicContact CG-CD2 4.48Å; L641-L661 HydrophobicContact CD2-CD1 4.45Å; L644-L661 HydrophobicContact CD2-CD1 4.23Å; I658-L661 HydrophobicContact CD1-CD1 3.9Å; I658-L661 WeakPolarHBondContact O-CB 3.47Å; I658-L661 PolarHBondContact O-N 3.19Å; G659-L661 PolarHBondContact O-N 3.11Å; L661-N663 PolarHBondContact O-N 3.1Å; L661-N663 VanDerWaalsContact O-N 3.16Å; L661-L664 HydrophobicContact CB-CB 4.43Å; L661-L664 HydrophobicContact CB-CD1 4.32Å; L661-L664 HydrophobicContact CD1-CD1 4.29Å; L661-L664 VanDerWaalsContact O-CB 3.3Å; L661-L664 WeakPolarHBondContact O-CB 3.37Å; L661-L664 PolarHBondContact O-N 2.69Å; L661-L664 VanDerWaalsContact O-N 3.12Å; L661-C684 PolarHBondContact O-SG 3.34Å
662T91.3Very high94.5Very high73 Ų7343 Ų4345%0.44821%0.21SC..THydrogen-bonded Turntrans-67.4-17-172.656.80000114.2N660N660-T662 PolarHBondContact O-N 3.46Å
663N93.9Very high94.6Very high58 Ų5846.1 Ų46.131%0.3121%0.214SC..THydrogen-bonded Turntrans-85.3-3.9175.8-75.5-30.4000114.5H639 L641 L661 E665 K686H639-N663 PolarHBondContact O-ND2 3.44Å; L641-N663 CarbonylContact O-C 3.36Å; L661-N663 PolarHBondContact O-N 3.1Å; L661-N663 VanDerWaalsContact O-N 3.16Å; N663-E665 PolarHBondContact O-N 3.44Å; N663-K686 PolarHBondContact OD1-NZ 3Å
664L95.6Very high94.7Very high1 Ų141.2 Ų41.21%0.00520%0.195CC..  trans-67.2129-177.2-14799.1000111.5L641 L644 L661 R666 L667 K686 L687L641-L664 HydrophobicContact CD2-CD1 4.15Å; L641-L664 HydrophobicContact CG-CD1 4.24Å; L644-L664 HydrophobicContact CB-CD1 3.79Å; L661-L664 HydrophobicContact CB-CB 4.43Å; L661-L664 HydrophobicContact CB-CD1 4.32Å; L661-L664 HydrophobicContact CD1-CD1 4.29Å; L661-L664 VanDerWaalsContact O-CB 3.3Å; L661-L664 WeakPolarHBondContact O-CB 3.37Å; L661-L664 PolarHBondContact O-N 2.69Å; L661-L664 VanDerWaalsContact O-N 3.12Å; L664-R666 WeakPolarHBondContact CD2-O 3.41Å; L664-L667 HydrophobicContact CD2-CB 3.56Å; L664-L667 HydrophobicContact CD2-CD1 4.04Å; L664-L667 HydrophobicContact CD2-CD2 4.34Å; L664-L667 HydrophobicContact CD2-CG 4.18Å; L664-K686 CarbonylContact O-C 3.54Å; L664-K686 VanDerWaalsContact O-C 3.26Å; L664-L687 HydrophobicContact CB-CD1 4.4Å; L664-L687 HydrophobicContact CD2-CD1 3.64Å; L664-L687 HydrophobicContact CG-CD1 4.4Å; L664-L687 WeakPolarHBondContact O-CA 3.37Å; L664-L687 PolarHBondContact O-N 3.19Å; L664-L687 VanDerWaalsContact O-N 3.14Å
665E97.7Very high94.8Very high43 Ų4346.5 Ų46.520%0.20122%0.22CC..  trans-106.8-27.5174.1-59.8-161.2162.600112.3T642 N663 K686 R688 Y689T642-E665 WeakPolarHBondContact O-CA 3.47Å; T642-E665 PolarHBondContact O-N 2.84Å; N663-E665 PolarHBondContact O-N 3.44Å; E665-K686 HydrophobicContact CG-CB 4.48Å; E665-R688 PolarHBondContact O-N 3.43Å; E665-R688 IonicContact OE1-CZ 3.03Å; E665-R688 IonicContact OE1-NH2 2.78Å; E665-R688 PolarHBondContact OE1-NH2 3.47Å; E665-R688 IonicContact OE2-CZ 2.82Å; E665-R688 IonicContact OE2-NE 2.94Å; E665-Y689 PolarHBondContact O-N 3.33Å
666R98.4Very high94.9Very high85 Ų8553.8 Ų53.832%0.32125%0.251SS..EExtended strand (participates in β ladder)trans-134.3126.3-178.2-51.4-171.3178.992.3-0.7111.4T642 C643 L644 L664 Y668 Y689T642-R666 PolarHBondContact O-N 3.07Å; C643-R666 WeakPolarHBondContact CA-O 3.36Å; C643-R666 HydrophobicContact CB-CB 4.32Å; L644-R666 PolarHBondContact N-O 3.4Å; L664-R666 WeakPolarHBondContact CD2-O 3.41Å; R666-Y668 HydrophobicContact CB-CE2 3.84Å; R666-Y689 WeakPolarHBondContact CA-O 3.46Å; R666-Y689 HydrophobicContact CG-CD2 3.8Å; R666-Y689 HydrophobicContact CG-CG 4.13Å
667L97.8Very high95.1Very high1 Ų149.1 Ų49.11%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-129122.3175.3-173.955000110.3L644 L664 L669 L681 L687 Y689 L690 D691L644-L667 HydrophobicContact CB-CD1 4.12Å; L644-L667 HydrophobicContact CD2-CD1 4.11Å; L644-L667 HydrophobicContact CG-CD1 4.16Å; L644-L667 WeakPolarHBondContact O-CA 3.35Å; L664-L667 HydrophobicContact CD2-CB 3.56Å; L664-L667 HydrophobicContact CD2-CD1 4.04Å; L664-L667 HydrophobicContact CD2-CD2 4.34Å; L664-L667 HydrophobicContact CD2-CG 4.18Å; L667-L669 HydrophobicContact CD1-CD1 4.11Å; L667-L669 HydrophobicContact CD1-CG 4.08Å; L667-L669 HydrophobicContact CD2-CD1 3.82Å; L667-L669 HydrophobicContact CG-CD1 3.87Å; L667-L669 HydrophobicContact CG-CG 4.11Å; L667-L681 HydrophobicContact CD2-CD1 3.81Å; L667-L681 HydrophobicContact CD2-CG 4.4Å; L667-L687 HydrophobicContact CB-CD1 3.9Å; L667-Y689 PolarHBondContact N-O 2.99Å; L667-L690 HydrophobicContact CB-CD1 4.01Å; L667-L690 HydrophobicContact CD2-CD1 4Å; L667-L690 HydrophobicContact CG-CD1 4.16Å; L667-L690 WeakPolarHBondContact O-CA 3.26Å; L667-D691 PolarHBondContact O-N 3.07Å
668Y98.1Very high95.3Very high44 Ų4447 Ų4717%0.17322%0.219CC..EExtended strand (participates in β ladder)trans-120.3117175.7-58.7-93.6000110.3L644 K645 L646 W647 R666 D691L644-Y668 PolarHBondContact O-N 3.39Å; K645-Y668 HydrophobicContact CD-CD2 4.5Å; K645-Y668 HydrophobicContact CG-CD2 3.49Å; K645-Y668 VanDerWaalsContact CG-CD2 3.49Å; K645-Y668 HydrophobicContact CG-CE2 4.15Å; K645-Y668 HydrophobicContact CG-CG 4.18Å; L646-Y668 CarbonylContact C-O 3.29Å; L646-Y668 PolarHBondContact N-O 3.47Å; W647-Y668 AromaticContact CE3-CD1 3.77Å; W647-Y668 HydrophobicContact CE3-CD1 3.77Å; W647-Y668 AromaticContact CE3-CG 3.77Å; W647-Y668 HydrophobicContact CE3-CG 3.77Å; W647-Y668 AromaticContact CZ3-CD1 3.6Å; W647-Y668 HydrophobicContact CZ3-CD1 3.6Å; W647-Y668 HydrophobicContact CZ3-CD2 4.34Å; W647-Y668 HydrophobicContact CZ3-CE1 4.1Å; W647-Y668 AromaticContact CZ3-CG 3.75Å; W647-Y668 HydrophobicContact CZ3-CG 3.75Å; R666-Y668 HydrophobicContact CB-CE2 3.84Å; Y668-D691 HydrophobicContact CD1-CB 3.64Å; Y668-D691 HydrophobicContact CE1-CB 4.28Å; Y668-D691 HydrophobicContact CG-CB 4.46Å
669L97.6Very high95.4Very high1 Ų149.7 Ų49.71%0.00524%0.236CC..  trans-129.518.8-177.6-74.3167.7000111.3L646 I651 I654 L667 N672 I674 D691 L692 N695L646-L669 HydrophobicContact CB-CD2 3.85Å; L646-L669 HydrophobicContact CD1-CD2 4.03Å; I651-L669 HydrophobicContact CD1-CD2 4.24Å; I654-L669 HydrophobicContact CD1-CD1 3.55Å; I654-L669 HydrophobicContact CG1-CD1 4.05Å; L667-L669 HydrophobicContact CD1-CD1 4.11Å; L667-L669 HydrophobicContact CD1-CG 4.08Å; L667-L669 HydrophobicContact CD2-CD1 3.82Å; L667-L669 HydrophobicContact CG-CD1 3.87Å; L667-L669 HydrophobicContact CG-CG 4.11Å; L669-N672 PolarHBondContact O-ND2 3.39Å; L669-I674 HydrophobicContact CB-CD1 3.92Å; L669-I674 HydrophobicContact CD1-CD1 4.29Å; L669-I674 HydrophobicContact CD2-CD1 4.24Å; L669-I674 HydrophobicContact CG-CD1 4.39Å; L669-D691 PolarHBondContact N-O 3.21Å; L669-L692 HydrophobicContact CB-CD2 3.91Å; L669-L692 HydrophobicContact CD1-CD2 3.95Å; L669-N695 PolarHBondContact O-ND2 3.45Å
670N97.5Very high95.7Very high15 Ų1551.3 Ų51.38%0.0824%0.243CC..  trans-68.8151.7-177.457.9-64.9000113.1W647 Y648 D691 S693W647-N670 CarbonylContact C-O 3.56Å; W647-N670 WeakPolarHBondContact CA-O 3.26Å; W647-N670 VanDerWaalsContact CB-O 3.31Å; W647-N670 WeakPolarHBondContact CB-O 3.47Å; W647-N670 WeakPolarHBondContact CB-OD1 3.37Å; Y648-N670 PolarHBondContact N-O 3.4Å; N670-D691 PolarHBondContact N-O 2.9Å; N670-D691 PolarHBondContact OD1-OD2 3.01Å; N670-S693 CarbonylContact C-O 3.41Å; N670-S693 WeakPolarHBondContact CA-O 3.5Å; N670-S693 VanDerWaalsContact CB-O 3.25Å; N670-S693 WeakPolarHBondContact CB-O 3.48Å
671R97.7Very high96Very high114 Ų11446.9 Ų46.943%0.4322%0.219SC..SBendtrans53.356.2-175-67.5-173.5-178.6-153.93.7112.1Y648 N649 S693 H694Y648-R671 WeakPolarHBondContact CA-O 3.47Å; Y648-R671 HydrophobicContact CD1-CB 4.36Å; Y648-R671 HydrophobicContact CD2-CB 4.5Å; Y648-R671 HydrophobicContact CE1-CG 4.49Å; Y648-R671 HydrophobicContact CG-CB 4.28Å; Y648-R671 PolarHBondContact N-O 3.06Å; Y648-R671 PolarHBondContact OH-NE 2.67Å; N649-R671 PolarHBondContact N-O 3.41Å; R671-S693 PolarHBondContact N-O 3.02Å; R671-H694 VanDerWaalsContact CA-O 3.22Å; R671-H694 WeakPolarHBondContact CA-O 3.19Å; R671-H694 HydrophobicContact CB-CB 4.25Å; R671-H694 HydrophobicContact CG-CB 3.45Å; R671-H694 VanDerWaalsContact CG-CB 3.45Å; R671-H694 PolarHBondContact N-O 3.29Å
672N98.1Very high96.1Very high10 Ų1046.3 Ų46.35%0.05322%0.216CC..SBendtrans-119.8-164.2168.4-83-72.2000108.9L646 N649 H650 I651 L669 I674 H694 N695L646-N672 PolarHBondContact O-ND2 2.94Å; N649-N672 WeakPolarHBondContact CA-OD1 3.33Å; N649-N672 WeakPolarHBondContact CB-OD1 3.19Å; N649-N672 PolarHBondContact N-OD1 3.44Å; N649-N672 PolarHBondContact O-OD1 2.88Å; H650-N672 PolarHBondContact N-OD1 2.85Å; I651-N672 HydrophobicContact CB-CB 4.2Å; I651-N672 VanDerWaalsContact CB-OD1 3.32Å; I651-N672 WeakPolarHBondContact CB-OD1 3.46Å; I651-N672 WeakPolarHBondContact CG1-OD1 3.34Å; I651-N672 PolarHBondContact N-OD1 3.45Å; L669-N672 PolarHBondContact O-ND2 3.39Å; N672-I674 HydrophobicContact CB-CD1 4.01Å; N672-I674 HydrophobicContact CB-CG1 3.96Å; N672-H694 PolarHBondContact N-O 2.91Å; N672-N695 WeakPolarHBondContact CA-OD1 3.34Å; N672-N695 WeakPolarHBondContact CB-OD1 3.38Å; N672-N695 PolarHBondContact N-OD1 3.49Å; N672-N695 PolarHBondContact O-OD1 3.3Å
673K97Very high96.3Very high115 Ų11548.5 Ų48.550%0.522%0.217SC..  trans-11932.3179-61.9-178.6-179.5177.60111.2I651 E675 N695I651-K673 CarbonylContact O-C 3.52Å; I651-K673 VanDerWaalsContact O-C 3.29Å; I651-K673 WeakPolarHBondContact O-CA 3.28Å; I651-K673 PolarHBondContact O-N 2.9Å; K673-E675 PolarHBondContact O-N 3.43Å; K673-N695 PolarHBondContact N-OD1 2.73Å
674I97.6Very high96.4Very high0 Ų045.8 Ų45.80%020%0.203CC..  trans-73.8126.7-172.2-57.6165.6000109.8I651 A652 I654 L669 N672 K676 N695 N696 L697I651-I674 HydrophobicContact CG2-CG1 4.32Å; I651-I674 WeakPolarHBondContact O-CG1 3.29Å; I651-I674 PolarHBondContact O-N 3.46Å; A652-I674 WeakPolarHBondContact O-CA 3.42Å; I654-I674 HydrophobicContact CD1-CD1 4.16Å; I654-I674 HydrophobicContact CD1-CG2 4.23Å; I654-I674 HydrophobicContact CG1-CD1 3.95Å; I654-I674 HydrophobicContact CG1-CG1 4.48Å; I654-I674 HydrophobicContact CG1-CG2 4.13Å; L669-I674 HydrophobicContact CB-CD1 3.92Å; L669-I674 HydrophobicContact CD1-CD1 4.29Å; L669-I674 HydrophobicContact CD2-CD1 4.24Å; L669-I674 HydrophobicContact CG-CD1 4.39Å; N672-I674 HydrophobicContact CB-CD1 4.01Å; N672-I674 HydrophobicContact CB-CG1 3.96Å; I674-K676 WeakPolarHBondContact CG2-O 3.37Å; I674-N695 HydrophobicContact CB-CB 4.27Å; I674-N695 WeakPolarHBondContact CB-OD1 3.46Å; I674-N695 WeakPolarHBondContact CG1-OD1 3.23Å; I674-N695 PolarHBondContact N-OD1 2.95Å; I674-N696 CarbonylContact O-C 3.19Å; I674-N696 WeakPolarHBondContact O-CA 3.49Å; I674-N696 PolarHBondContact O-N 3.46Å; I674-L697 HydrophobicContact CG2-CD2 3.93Å; I674-L697 PolarHBondContact O-N 3.18Å
675E95.9Very high96.3Very high121 Ų12153 Ų5357%0.56523%0.23SC*.  trans-97.4-31.8179.6-64.6-178.1-177.700113.3K673 N696K673-E675 PolarHBondContact O-N 3.43Å; E675-N696 HydrophobicContact CG-CB 4.14Å
676K94.6Very high96.3Very high159 Ų15955.7 Ų55.769%0.69124%0.241SC*.  trans-139.6146.4-176.2-62.9-177.5-177.2177.90111.6I674I674-K676 WeakPolarHBondContact CG2-O 3.37Å
677I95.8Very high96.3Very high16 Ų1651.6 Ų51.68%0.08223%0.225CC..  trans-97.9123.8172.3-52169.4000108.3L681 F682 L692 L697 P701I677-L681 HydrophobicContact CG2-CB 4.14Å; I677-L681 HydrophobicContact CG2-CD1 3.99Å; I677-L681 HydrophobicContact CG2-CG 4.48Å; I677-F682 HydrophobicContact CG2-CE2 4.08Å; I677-F682 HydrophobicContact CG2-CZ 3.92Å; I677-L692 HydrophobicContact CD1-CD1 3.54Å; I677-L692 HydrophobicContact CG1-CD1 4.18Å; I677-L697 HydrophobicContact CD1-CD1 4.01Å; I677-L697 HydrophobicContact CD1-CD2 4.49Å; I677-L697 HydrophobicContact CG1-CD1 4.12Å; I677-L697 HydrophobicContact CG1-CD2 3.8Å; I677-P701 HydrophobicContact CB-CG 4.15Å
678P95.3Very high96.3Very high19 Ų1956.2 Ų56.212%0.12324%0.243CC..  trans-70.3142.7174.130.8-36000110.5I654 M656 I658 Q680 L681I654-P678 HydrophobicContact CB-CG 3.89Å; I654-P678 HydrophobicContact CG2-CG 3.9Å; I654-P678 WeakPolarHBondContact O-CG 3.3Å; M656-P678 HydrophobicContact CG-CB 4.41Å; I658-P678 HydrophobicContact CG2-CG 4.18Å; P678-Q680 PolarHBondContact O-N 3.06Å; P678-Q680 VanDerWaalsContact O-N 3.13Å; P678-L681 WeakPolarHBondContact O-CB 3.29Å; P678-L681 PolarHBondContact O-N 3.18Å; P678-L681 VanDerWaalsContact O-N 3.08Å
679T93.9Very high96.3Very high58 Ų5857.3 Ų57.336%0.35625%0.247SC..G310 helixtrans-61.5-23.617956.50000112.4L681 F682 D703T679-L681 VanDerWaalsContact C-N 3.25Å; T679-L681 PolarHBondContact O-N 2.95Å; T679-F682 VanDerWaalsContact O-CD2 3.23Å; T679-F682 WeakPolarHBondContact O-CD2 3.41Å; T679-F682 PolarHBondContact O-N 3.08Å; T679-D703 VanDerWaalsContact CB-OD2 3.28Å; T679-D703 WeakPolarHBondContact CB-OD2 3.27Å; T679-D703 WeakPolarHBondContact CG2-OD2 3.41Å
680Q95Very high96.3Very high39 Ų3957.5 Ų57.518%0.18225%0.248CC..G310 helixtrans-66.8-21.9177.2-64.778.411.200113.5M656 G659 P678 F682 Y683M656-Q680 HydrophobicContact CB-CB 4.39Å; M656-Q680 HydrophobicContact CB-CG 3.98Å; M656-Q680 WeakPolarHBondContact O-CB 3.29Å; M656-Q680 VanDerWaalsContact SD-CD 3.53Å; M656-Q680 PolarHBondContact SD-NE2 3.31Å; M656-Q680 PolarHBondContact SD-OE1 2.96Å; G659-Q680 WeakPolarHBondContact CA-O 3.45Å; P678-Q680 PolarHBondContact O-N 3.06Å; P678-Q680 VanDerWaalsContact O-N 3.13Å; Q680-F682 PolarHBondContact O-N 2.75Å; Q680-Y683 HydrophobicContact CB-CD2 4.1Å; Q680-Y683 HydrophobicContact CB-CE2 4.15Å; Q680-Y683 HydrophobicContact CG-CD2 4.26Å; Q680-Y683 HydrophobicContact CG-CE2 3.82Å; Q680-Y683 VanDerWaalsContact O-CB 3.31Å; Q680-Y683 WeakPolarHBondContact O-CB 3.48Å; Q680-Y683 PolarHBondContact O-N 3.18Å
681L95.2Very high96.3Very high0 Ų058.2 Ų58.20%025%0.252CS..G310 helixtrans-56.9-33.6174.3-175.7149.7000111.5I654 I658 L667 I677 P678 T679 Y683 C684 L690I654-L681 HydrophobicContact CD1-CD1 4.06Å; I658-L681 HydrophobicContact CG2-CB 4.05Å; L667-L681 HydrophobicContact CD2-CD1 3.81Å; L667-L681 HydrophobicContact CD2-CG 4.4Å; I677-L681 HydrophobicContact CG2-CB 4.14Å; I677-L681 HydrophobicContact CG2-CD1 3.99Å; I677-L681 HydrophobicContact CG2-CG 4.48Å; P678-L681 WeakPolarHBondContact O-CB 3.29Å; P678-L681 PolarHBondContact O-N 3.18Å; P678-L681 VanDerWaalsContact O-N 3.08Å; T679-L681 VanDerWaalsContact C-N 3.25Å; T679-L681 PolarHBondContact O-N 2.95Å; L681-Y683 PolarHBondContact O-N 3.07Å; L681-C684 WeakPolarHBondContact O-CB 3.39Å; L681-C684 PolarHBondContact O-N 3.27Å; L681-C684 VanDerWaalsContact O-N 3.13Å; L681-L690 HydrophobicContact CD2-CD2 4.07Å
682F95.3Very high96.4Very high1 Ų152.8 Ų52.80%0.00423%0.231CC..G310 helixtrans-75.9-3.2-178.1-51.6-71.4000113.5I677 T679 Q680 P701 D703 I704 L706 L707I677-F682 HydrophobicContact CG2-CE2 4.08Å; I677-F682 HydrophobicContact CG2-CZ 3.92Å; T679-F682 VanDerWaalsContact O-CD2 3.23Å; T679-F682 WeakPolarHBondContact O-CD2 3.41Å; T679-F682 PolarHBondContact O-N 3.08Å; Q680-F682 PolarHBondContact O-N 2.75Å; F682-P701 HydrophobicContact CE2-CB 3.61Å; F682-P701 HydrophobicContact CE2-CG 3.74Å; F682-P701 HydrophobicContact CZ-CB 4.04Å; F682-P701 HydrophobicContact CZ-CG 4.03Å; F682-D703 HydrophobicContact CB-CB 3.81Å; F682-D703 VanDerWaalsContact CB-O 3.31Å; F682-D703 WeakPolarHBondContact CB-O 3.48Å; F682-D703 HydrophobicContact CD2-CB 3.25Å; F682-D703 HydrophobicContact CE2-CB 3.95Å; F682-D703 VanDerWaalsContact CG-C 3.49Å; F682-D703 HydrophobicContact CG-CB 3.61Å; F682-D703 WeakPolarHBondContact CG-O 3.36Å; F682-I704 VanDerWaalsContact CD1-CA 3.41Å; F682-I704 HydrophobicContact CD1-CB 4.12Å; F682-I704 HydrophobicContact CD1-CG1 4.45Å; F682-I704 VanDerWaalsContact CE1-CA 3.43Å; F682-I704 HydrophobicContact CE1-CB 3.61Å; F682-I704 HydrophobicContact CE1-CD1 4.36Å; F682-I704 HydrophobicContact CE1-CG1 3.93Å; F682-I704 HydrophobicContact CZ-CB 4.25Å; F682-L706 HydrophobicContact CB-CB 4.38Å; F682-L706 HydrophobicContact CB-CD1 4.2Å; F682-L707 HydrophobicContact CD1-CD1 3.73Å; F682-L707 HydrophobicContact CD1-CG 3.95Å; F682-L707 HydrophobicContact CE1-CD1 4.24Å
683Y94.7Very high96.3Very high118 Ų11852.8 Ų52.846%0.46323%0.232SC..G310 helixtrans-73.8-16.9167.7-59.6-17.2000112.5Q680 L681 R685Q680-Y683 HydrophobicContact CB-CD2 4.1Å; Q680-Y683 HydrophobicContact CB-CE2 4.15Å; Q680-Y683 HydrophobicContact CG-CD2 4.26Å; Q680-Y683 HydrophobicContact CG-CE2 3.82Å; Q680-Y683 VanDerWaalsContact O-CB 3.31Å; Q680-Y683 WeakPolarHBondContact O-CB 3.48Å; Q680-Y683 PolarHBondContact O-N 3.18Å; L681-Y683 PolarHBondContact O-N 3.07Å; Y683-R685 PolarHBondContact O-N 3.24Å
684C95Very high96.4Very high2 Ų251.1 Ų51.11%0.01423%0.226CC..  trans-73.361.7171.4-59.70000111.8I658 L661 L681 K686 L687 L707I658-C684 PolarHBondContact O-SG 3.25Å; L661-C684 PolarHBondContact O-SG 3.34Å; L681-C684 WeakPolarHBondContact O-CB 3.39Å; L681-C684 PolarHBondContact O-N 3.27Å; L681-C684 VanDerWaalsContact O-N 3.13Å; C684-K686 PolarHBondContact O-N 3.1Å; C684-L687 WeakPolarHBondContact O-CB 3.2Å; C684-L687 PolarHBondContact O-N 3.43Å; C684-L707 WeakPolarHBondContact O-CD2 3.45Å
685R94.9Very high96.4Very high152 Ų15251.4 Ų51.457%0.57423%0.227SC*.THydrogen-bonded Turntrans-63.6-11.5-172-62.8-176-178.6-175.4-0.1115.5Y683 L687 N709Y683-R685 PolarHBondContact O-N 3.24Å; R685-L687 VanDerWaalsContact C-N 3.32Å; R685-N709 PolarHBondContact O-ND2 2.79Å; R685-N709 VanDerWaalsContact O-ND2 3.09Å
686K96.7Very high96.5Very high99 Ų9948.3 Ų48.343%0.4322%0.215SC..THydrogen-bonded Turntrans-84.7-5.3173.3-65.7-170.3-172.81710113.2N663 L664 E665 C684 R688N663-K686 PolarHBondContact OD1-NZ 3Å; L664-K686 CarbonylContact O-C 3.54Å; L664-K686 VanDerWaalsContact O-C 3.26Å; E665-K686 HydrophobicContact CG-CB 4.48Å; C684-K686 PolarHBondContact O-N 3.1Å; K686-R688 PolarHBondContact O-N 3.5Å
687L97.7Very high96.6Very high0 Ų040.8 Ų40.80%018%0.182CC..  trans-60.3127.4-178.5-155.679.2000111L664 L667 C684 R685 L690 L707 N709 L710L664-L687 HydrophobicContact CB-CD1 4.4Å; L664-L687 HydrophobicContact CD2-CD1 3.64Å; L664-L687 HydrophobicContact CG-CD1 4.4Å; L664-L687 WeakPolarHBondContact O-CA 3.37Å; L664-L687 PolarHBondContact O-N 3.19Å; L664-L687 VanDerWaalsContact O-N 3.14Å; L667-L687 HydrophobicContact CB-CD1 3.9Å; C684-L687 WeakPolarHBondContact O-CB 3.2Å; C684-L687 PolarHBondContact O-N 3.43Å; R685-L687 VanDerWaalsContact C-N 3.32Å; L687-L690 HydrophobicContact CD2-CB 3.72Å; L687-L690 HydrophobicContact CD2-CD1 4.07Å; L687-L690 HydrophobicContact CD2-CD2 4.03Å; L687-L690 HydrophobicContact CD2-CG 4.15Å; L687-L707 HydrophobicContact CB-CD2 4.23Å; L687-L707 HydrophobicContact CD2-CD1 3.99Å; L687-N709 CarbonylContact O-C 3.32Å; L687-L710 HydrophobicContact CD2-CD1 4.38Å; L687-L710 PolarHBondContact O-N 3.36Å
688R98.1Very high96.6Very high98 Ų9843.3 Ų43.337%0.3720%0.198SC..  trans-114.7-30.4177.1-64176.3-168.1-175.38.4111.5E665 K686 N709 Q711 N712E665-R688 PolarHBondContact O-N 3.43Å; E665-R688 IonicContact OE1-CZ 3.03Å; E665-R688 IonicContact OE1-NH2 2.78Å; E665-R688 PolarHBondContact OE1-NH2 3.47Å; E665-R688 IonicContact OE2-CZ 2.82Å; E665-R688 IonicContact OE2-NE 2.94Å; K686-R688 PolarHBondContact O-N 3.5Å; R688-N709 HydrophobicContact CG-CB 4.49Å; R688-Q711 HydrophobicContact CB-CG 4.43Å; R688-Q711 WeakPolarHBondContact O-CA 3.49Å; R688-Q711 PolarHBondContact O-N 3.25Å; R688-N712 PolarHBondContact O-N 2.63Å
689Y98.4Very high96.6Very high66 Ų6645.6 Ų45.626%0.25922%0.215SC..EExtended strand (participates in β ladder)trans-126.5121.4-178.1-61.1-108.6000109.1E665 R666 L667 N712E665-Y689 PolarHBondContact O-N 3.33Å; R666-Y689 WeakPolarHBondContact CA-O 3.46Å; R666-Y689 HydrophobicContact CG-CD2 3.8Å; R666-Y689 HydrophobicContact CG-CG 4.13Å; L667-Y689 PolarHBondContact N-O 2.99Å; Y689-N712 HydrophobicContact CD1-CB 3.93Å; Y689-N712 VanDerWaalsContact CD1-ND2 3.25Å; Y689-N712 WeakPolarHBondContact CD1-ND2 3.24Å; Y689-N712 HydrophobicContact CE1-CB 4.35Å; Y689-N712 WeakPolarHBondContact CE1-ND2 3.27Å; Y689-N712 VanDerWaalsContact CZ-ND2 3.34Å
690L98.3Very high96.7Very high6 Ų643.3 Ų43.33%0.03120%0.2CC..EExtended strand (participates in β ladder)trans-131.1115.6175.1-178.154.4000109.7L667 L681 L687 L692 L710 N712 L713 A714L667-L690 HydrophobicContact CB-CD1 4.01Å; L667-L690 HydrophobicContact CD2-CD1 4Å; L667-L690 HydrophobicContact CG-CD1 4.16Å; L667-L690 WeakPolarHBondContact O-CA 3.26Å; L681-L690 HydrophobicContact CD2-CD2 4.07Å; L687-L690 HydrophobicContact CD2-CB 3.72Å; L687-L690 HydrophobicContact CD2-CD1 4.07Å; L687-L690 HydrophobicContact CD2-CD2 4.03Å; L687-L690 HydrophobicContact CD2-CG 4.15Å; L690-L692 HydrophobicContact CD1-CD1 4.04Å; L690-L692 HydrophobicContact CD1-CD2 4.44Å; L690-L692 HydrophobicContact CD1-CG 3.92Å; L690-L692 HydrophobicContact CD2-CD1 3.9Å; L690-L692 HydrophobicContact CG-CD1 3.92Å; L690-L692 HydrophobicContact CG-CG 4.11Å; L690-L710 HydrophobicContact CB-CD1 3.99Å; L690-N712 PolarHBondContact N-O 2.95Å; L690-L713 HydrophobicContact CB-CD1 4.01Å; L690-L713 HydrophobicContact CD2-CD1 3.9Å; L690-L713 HydrophobicContact CG-CD1 3.99Å; L690-L713 WeakPolarHBondContact O-CA 3.4Å; L690-A714 PolarHBondContact O-N 3.32Å
691D98.3Very high96.8Very high29 Ų2942.7 Ų42.716%0.15520%0.2CC..EExtended strand (participates in β ladder)trans-116115.8173.2-169.4-2.6000110.7L667 Y668 L669 N670 S693 A714L667-D691 PolarHBondContact O-N 3.07Å; Y668-D691 HydrophobicContact CD1-CB 3.64Å; Y668-D691 HydrophobicContact CE1-CB 4.28Å; Y668-D691 HydrophobicContact CG-CB 4.46Å; L669-D691 PolarHBondContact N-O 3.21Å; N670-D691 PolarHBondContact N-O 2.9Å; N670-D691 PolarHBondContact OD1-OD2 3.01Å; D691-S693 WeakPolarHBondContact OD1-CB 3.38Å; D691-S693 PolarHBondContact OD1-N 3.33Å; D691-S693 PolarHBondContact OD1-OG 3.29Å; D691-A714 HydrophobicContact CB-CB 4.39Å; D691-A714 WeakPolarHBondContact OD1-CB 3.43Å
692L97.8Very high96.7Very high1 Ų145 Ų451%0.00522%0.219CC..  trans-121.918.5178.4-69.8165.5000111.1I654 L669 I677 L690 N695 L697 A714 V715 N718I654-L692 HydrophobicContact CD1-CD2 4.35Å; L669-L692 HydrophobicContact CB-CD2 3.91Å; L669-L692 HydrophobicContact CD1-CD2 3.95Å; I677-L692 HydrophobicContact CD1-CD1 3.54Å; I677-L692 HydrophobicContact CG1-CD1 4.18Å; L690-L692 HydrophobicContact CD1-CD1 4.04Å; L690-L692 HydrophobicContact CD1-CD2 4.44Å; L690-L692 HydrophobicContact CD1-CG 3.92Å; L690-L692 HydrophobicContact CD2-CD1 3.9Å; L690-L692 HydrophobicContact CG-CD1 3.92Å; L690-L692 HydrophobicContact CG-CG 4.11Å; L692-N695 PolarHBondContact O-ND2 3.38Å; L692-L697 HydrophobicContact CB-CD1 3.88Å; L692-L697 HydrophobicContact CD1-CD1 4.26Å; L692-L697 HydrophobicContact CG-CD1 4.49Å; L692-A714 PolarHBondContact N-O 2.94Å; L692-V715 HydrophobicContact CB-CG1 4.17Å; L692-N718 PolarHBondContact O-ND2 3.4Å
693S97.9Very high96.8Very high9 Ų947.8 Ų47.86%0.06323%0.234CC..  trans-64.6153.1-175.9-51.60000112.6N670 R671 D691 N695 A714 T716N670-S693 CarbonylContact C-O 3.41Å; N670-S693 WeakPolarHBondContact CA-O 3.5Å; N670-S693 VanDerWaalsContact CB-O 3.25Å; N670-S693 WeakPolarHBondContact CB-O 3.48Å; R671-S693 PolarHBondContact N-O 3.02Å; D691-S693 WeakPolarHBondContact OD1-CB 3.38Å; D691-S693 PolarHBondContact OD1-N 3.33Å; D691-S693 PolarHBondContact OD1-OG 3.29Å; S693-N695 PolarHBondContact O-ND2 3.44Å; S693-A714 WeakPolarHBondContact OG-CB 3.13Å; S693-T716 CarbonylContact C-O 3.37Å; S693-T716 WeakPolarHBondContact CA-O 3.44Å; S693-T716 WeakPolarHBondContact CB-O 3.3Å; S693-T716 PolarHBondContact OG-N 3.42Å
694H98Very high96.9Very high80 Ų8042.3 Ų42.337%0.3721%0.212SC..SBendtrans53.957.2-178.8-60.9-85.3000112.5R671 N672 T716 A717R671-H694 VanDerWaalsContact CA-O 3.22Å; R671-H694 WeakPolarHBondContact CA-O 3.19Å; R671-H694 HydrophobicContact CB-CB 4.25Å; R671-H694 HydrophobicContact CG-CB 3.45Å; R671-H694 VanDerWaalsContact CG-CB 3.45Å; R671-H694 PolarHBondContact N-O 3.29Å; N672-H694 PolarHBondContact N-O 2.91Å; H694-T716 PolarHBondContact N-O 3.34Å; H694-A717 VanDerWaalsContact CA-O 3.25Å; H694-A717 WeakPolarHBondContact CA-O 3.3Å; H694-A717 HydrophobicContact CB-CB 4.5Å; H694-A717 PolarHBondContact N-O 3.22Å; H694-A717 VanDerWaalsContact ND1-CB 3.33Å; H694-A717 WeakPolarHBondContact ND1-CB 3.21Å
695N98.3Very high96.8Very high6 Ų642.4 Ų42.43%0.03221%0.214CC..SBendtrans-126.9-170.2171.3-81.6-72.8000108.9L669 N672 K673 I674 L692 S693 L697 A717 N718L669-N695 PolarHBondContact O-ND2 3.45Å; N672-N695 WeakPolarHBondContact CA-OD1 3.34Å; N672-N695 WeakPolarHBondContact CB-OD1 3.38Å; N672-N695 PolarHBondContact N-OD1 3.49Å; N672-N695 PolarHBondContact O-OD1 3.3Å; K673-N695 PolarHBondContact N-OD1 2.73Å; I674-N695 HydrophobicContact CB-CB 4.27Å; I674-N695 WeakPolarHBondContact CB-OD1 3.46Å; I674-N695 WeakPolarHBondContact CG1-OD1 3.23Å; I674-N695 PolarHBondContact N-OD1 2.95Å; L692-N695 PolarHBondContact O-ND2 3.38Å; S693-N695 PolarHBondContact O-ND2 3.44Å; N695-L697 HydrophobicContact CB-CD1 4.49Å; N695-L697 HydrophobicContact CB-CG 4.1Å; N695-A717 PolarHBondContact N-O 3.45Å; N695-N718 VanDerWaalsContact CA-OD1 3.27Å; N695-N718 WeakPolarHBondContact CA-OD1 3.35Å; N695-N718 WeakPolarHBondContact CB-OD1 3.31Å; N695-N718 PolarHBondContact N-OD1 3.48Å; N695-N718 PolarHBondContact O-OD1 2.87Å; N695-N718 VanDerWaalsContact O-OD1 3.05Å
696N97Very high96.8Very high57 Ų5738.1 Ų38.131%0.30520%0.202SC..  trans-108.931.4178.7-67.9-20.6000111.7I674 E675I674-N696 CarbonylContact O-C 3.19Å; I674-N696 WeakPolarHBondContact O-CA 3.49Å; I674-N696 PolarHBondContact O-N 3.46Å; E675-N696 HydrophobicContact CG-CB 4.14Å
697L97.4Very high96.8Very high0 Ų033.4 Ų33.40%018%0.181CC..  trans-71.2133.3-176.2-59.8174.3000111.4I674 I677 L692 N695 N718 R719 I720I674-L697 HydrophobicContact CG2-CD2 3.93Å; I674-L697 PolarHBondContact O-N 3.18Å; I677-L697 HydrophobicContact CD1-CD1 4.01Å; I677-L697 HydrophobicContact CD1-CD2 4.49Å; I677-L697 HydrophobicContact CG1-CD1 4.12Å; I677-L697 HydrophobicContact CG1-CD2 3.8Å; L692-L697 HydrophobicContact CB-CD1 3.88Å; L692-L697 HydrophobicContact CD1-CD1 4.26Å; L692-L697 HydrophobicContact CG-CD1 4.49Å; N695-L697 HydrophobicContact CB-CD1 4.49Å; N695-L697 HydrophobicContact CB-CG 4.1Å; L697-N718 HydrophobicContact CB-CB 4.2Å; L697-N718 VanDerWaalsContact CB-OD1 3.29Å; L697-N718 WeakPolarHBondContact CB-OD1 3.37Å; L697-N718 WeakPolarHBondContact CG-OD1 2.93Å; L697-N718 PolarHBondContact N-OD1 3.37Å; L697-R719 CarbonylContact O-C 3.36Å; L697-R719 VanDerWaalsContact O-C 3.22Å; L697-R719 WeakPolarHBondContact O-CA 3.46Å; L697-R719 PolarHBondContact O-N 2.85Å; L697-I720 HydrophobicContact CB-CG1 4.46Å; L697-I720 PolarHBondContact O-N 2.96Å
698T96.1Very high96.7Very high69 Ų6937.5 Ų37.542%0.42320%0.201SC..  trans-101.6-21.5176.656.30000113.8R719 I720 E721T698-R719 WeakPolarHBondContact CA-O 3.47Å; T698-R719 HydrophobicContact CG2-CB 4.48Å; T698-I720 WeakPolarHBondContact O-CA 3.12Å; T698-E721 PolarHBondContact O-N 3.24Å
699S95.4Very high96.7Very high68 Ų6835.3 Ų35.348%0.47620%0.196SC..  trans-154.4153.1-177.259.70000111.2
700I96.1Very high96.6Very high10 Ų1032.2 Ų32.25%0.05118%0.184CC..  trans-101.9127.5169.4-56.2174.3000108I704 V715 I720 L723 P724I700-I704 HydrophobicContact CG2-CB 4.04Å; I700-I704 HydrophobicContact CG2-CD1 3.57Å; I700-I704 HydrophobicContact CG2-CG1 4.42Å; I700-I704 HydrophobicContact CG2-CG2 4.06Å; I700-V715 HydrophobicContact CD1-CG1 4.21Å; I700-V715 HydrophobicContact CD1-CG2 4.32Å; I700-I720 HydrophobicContact CD1-CD1 4.07Å; I700-I720 HydrophobicContact CG1-CD1 3.94Å; I700-L723 HydrophobicContact CD1-CD2 4.03Å; I700-P724 HydrophobicContact CB-CG 4.02Å; I700-P724 HydrophobicContact CG2-CG 4.11Å; I700-P724 WeakPolarHBondContact O-CG 3.39Å
701P95.6Very high96.6Very high26 Ų2633.3 Ų33.317%0.16919%0.189CC..  trans-62.1146.8176.2-24.233.9000113.4I677 F682 D703 I704I677-P701 HydrophobicContact CB-CG 4.15Å; F682-P701 HydrophobicContact CE2-CB 3.61Å; F682-P701 HydrophobicContact CE2-CG 3.74Å; F682-P701 HydrophobicContact CZ-CB 4.04Å; F682-P701 HydrophobicContact CZ-CG 4.03Å; P701-D703 PolarHBondContact O-N 3.25Å; P701-D703 VanDerWaalsContact O-N 3.17Å; P701-I704 WeakPolarHBondContact O-CG2 3.28Å; P701-I704 PolarHBondContact O-N 3.31Å; P701-I704 VanDerWaalsContact O-N 3.12Å
702A94.1Very high96.6Very high49 Ų4933.5 Ų33.541%0.40519%0.19SC..G310 helixtrans-58.1-27.6177.400000113.2I704 G705 E726A702-I704 PolarHBondContact O-N 2.93Å; A702-G705 PolarHBondContact O-N 3.12Å; A702-G705 VanDerWaalsContact O-N 3.14Å; A702-E726 HydrophobicContact CB-CG 3.99Å; A702-E726 WeakPolarHBondContact O-CB 3.4Å; A702-E726 WeakPolarHBondContact O-CG 3.38Å
703D96.8Very high96.6Very high59 Ų5933.6 Ų33.632%0.31619%0.19SC..G310 helixtrans-59-11.3176.1-65.9-62000114T679 F682 P701 G705 L706T679-D703 VanDerWaalsContact CB-OD2 3.28Å; T679-D703 WeakPolarHBondContact CB-OD2 3.27Å; T679-D703 WeakPolarHBondContact CG2-OD2 3.41Å; F682-D703 HydrophobicContact CB-CB 3.81Å; F682-D703 VanDerWaalsContact CB-O 3.31Å; F682-D703 WeakPolarHBondContact CB-O 3.48Å; F682-D703 HydrophobicContact CD2-CB 3.25Å; F682-D703 HydrophobicContact CE2-CB 3.95Å; F682-D703 VanDerWaalsContact CG-C 3.49Å; F682-D703 HydrophobicContact CG-CB 3.61Å; F682-D703 WeakPolarHBondContact CG-O 3.36Å; P701-D703 PolarHBondContact O-N 3.25Å; P701-D703 VanDerWaalsContact O-N 3.17Å; D703-G705 PolarHBondContact O-N 2.96Å; D703-G705 VanDerWaalsContact O-N 3.15Å; D703-L706 HydrophobicContact CB-CD1 4.08Å; D703-L706 WeakPolarHBondContact O-CB 3.22Å; D703-L706 VanDerWaalsContact O-CG 3.31Å; D703-L706 WeakPolarHBondContact O-CG 3.28Å; D703-L706 PolarHBondContact O-N 3.07Å
704I96.4Very high96.6Very high2 Ų233.7 Ų33.71%0.0119%0.192CC..G310 helixtrans-55-29.7171.1-165.1156.6000113.1F682 I700 P701 A702 L706 L707 L713 P724 L727 C730F682-I704 VanDerWaalsContact CD1-CA 3.41Å; F682-I704 HydrophobicContact CD1-CB 4.12Å; F682-I704 HydrophobicContact CD1-CG1 4.45Å; F682-I704 VanDerWaalsContact CE1-CA 3.43Å; F682-I704 HydrophobicContact CE1-CB 3.61Å; F682-I704 HydrophobicContact CE1-CD1 4.36Å; F682-I704 HydrophobicContact CE1-CG1 3.93Å; F682-I704 HydrophobicContact CZ-CB 4.25Å; I700-I704 HydrophobicContact CG2-CB 4.04Å; I700-I704 HydrophobicContact CG2-CD1 3.57Å; I700-I704 HydrophobicContact CG2-CG1 4.42Å; I700-I704 HydrophobicContact CG2-CG2 4.06Å; P701-I704 WeakPolarHBondContact O-CG2 3.28Å; P701-I704 PolarHBondContact O-N 3.31Å; P701-I704 VanDerWaalsContact O-N 3.12Å; A702-I704 PolarHBondContact O-N 2.93Å; I704-L706 PolarHBondContact O-N 2.94Å; I704-L706 VanDerWaalsContact O-N 3.11Å; I704-L707 WeakPolarHBondContact O-CB 3.47Å; I704-L707 PolarHBondContact O-N 3.4Å; I704-L713 HydrophobicContact CD1-CD1 4.4Å; I704-L713 HydrophobicContact CD1-CD2 3.71Å; I704-P724 HydrophobicContact CG2-CG 3.94Å; I704-L727 HydrophobicContact CD1-CD1 3.8Å; I704-L727 HydrophobicContact CG1-CD1 4.2Å; I704-L727 HydrophobicContact CG2-CB 4.09Å; I704-C730 PolarHBondContact O-SG 2.84Å
705G93.8Very high96.6Very high4 Ų430 Ų304%0.04118%0.175CC..G310 helixtrans-60.4-17.8173.500000113.8A702 D703 L707 Q708 E726A702-G705 PolarHBondContact O-N 3.12Å; A702-G705 VanDerWaalsContact O-N 3.14Å; D703-G705 PolarHBondContact O-N 2.96Å; D703-G705 VanDerWaalsContact O-N 3.15Å; G705-L707 VanDerWaalsContact C-N 3.28Å; G705-L707 PolarHBondContact O-N 3.01Å; G705-Q708 PolarHBondContact O-NE2 3.39Å; G705-E726 VanDerWaalsContact CA-O 3.3Å; G705-E726 WeakPolarHBondContact CA-O 3.47Å
706L95.5Very high96.6Very high62 Ų6230.4 Ų30.433%0.32518%0.178SC..G310 helixtrans-72.1-20.6174.1-59.2172.9000112.7F682 D703 I704 Q708F682-L706 HydrophobicContact CB-CB 4.38Å; F682-L706 HydrophobicContact CB-CD1 4.2Å; D703-L706 HydrophobicContact CB-CD1 4.08Å; D703-L706 WeakPolarHBondContact O-CB 3.22Å; D703-L706 VanDerWaalsContact O-CG 3.31Å; D703-L706 WeakPolarHBondContact O-CG 3.28Å; D703-L706 PolarHBondContact O-N 3.07Å; I704-L706 PolarHBondContact O-N 2.94Å; I704-L706 VanDerWaalsContact O-N 3.11Å; L706-Q708 VanDerWaalsContact C-N 3.25Å; L706-Q708 PolarHBondContact O-N 3.01Å
707L96.8Very high96.6Very high0 Ų028.8 Ų28.80%017%0.172CC..  trans-83.563.4-179.4-59.5-177.8000111.7F682 C684 L687 I704 G705 N709 L710 C730F682-L707 HydrophobicContact CD1-CD1 3.73Å; F682-L707 HydrophobicContact CD1-CG 3.95Å; F682-L707 HydrophobicContact CE1-CD1 4.24Å; C684-L707 WeakPolarHBondContact O-CD2 3.45Å; L687-L707 HydrophobicContact CB-CD2 4.23Å; L687-L707 HydrophobicContact CD2-CD1 3.99Å; I704-L707 WeakPolarHBondContact O-CB 3.47Å; I704-L707 PolarHBondContact O-N 3.4Å; G705-L707 VanDerWaalsContact C-N 3.28Å; G705-L707 PolarHBondContact O-N 3.01Å; L707-N709 PolarHBondContact O-N 2.91Å; L707-L710 HydrophobicContact CB-CB 4.08Å; L707-L710 VanDerWaalsContact O-CB 3.24Å; L707-L710 WeakPolarHBondContact O-CB 3.13Å; L707-L710 PolarHBondContact O-N 3.4Å; L707-C730 PolarHBondContact O-SG 3.19Å; L707-C730 VanDerWaalsContact O-SG 3.37Å
708Q95.1Very high96.6Very high87 Ų8729.3 Ų29.341%0.40718%0.175SC..THydrogen-bonded Turntrans-62.2-15.8-177.7-67.7-65.8-38.700114.4G705 L706 Q729G705-Q708 PolarHBondContact O-NE2 3.39Å; L706-Q708 VanDerWaalsContact C-N 3.25Å; L706-Q708 PolarHBondContact O-N 3.01Å; Q708-Q729 PolarHBondContact NE2-O 3.46Å; Q708-Q729 VanDerWaalsContact NE2-O 3.14Å; Q708-Q729 PolarHBondContact OE1-O 3.01Å; Q708-Q729 VanDerWaalsContact OE1-O 3.11Å
709N96.9Very high96.7Very high52 Ų5233.2 Ų33.228%0.27818%0.182SC..THydrogen-bonded Turntrans-96.2-0.5176.8-69-49.5000114.5R685 L687 R688 L707 Q711 K732R685-N709 PolarHBondContact O-ND2 2.79Å; R685-N709 VanDerWaalsContact O-ND2 3.09Å; L687-N709 CarbonylContact O-C 3.32Å; R688-N709 HydrophobicContact CG-CB 4.49Å; L707-N709 PolarHBondContact O-N 2.91Å; N709-Q711 PolarHBondContact O-N 3.45Å; N709-K732 PolarHBondContact OD1-NZ 3.16Å
710L97.9Very high96.8Very high0 Ų030 Ų300%016%0.16CC..  trans-63.2128.6-176.9-165.666.2000110.6L687 L690 L707 L713 K732 L733L687-L710 HydrophobicContact CD2-CD1 4.38Å; L687-L710 PolarHBondContact O-N 3.36Å; L690-L710 HydrophobicContact CB-CD1 3.99Å; L707-L710 HydrophobicContact CB-CB 4.08Å; L707-L710 VanDerWaalsContact O-CB 3.24Å; L707-L710 WeakPolarHBondContact O-CB 3.13Å; L707-L710 PolarHBondContact O-N 3.4Å; L710-L713 HydrophobicContact CD2-CB 4.05Å; L710-L713 HydrophobicContact CD2-CD1 4.41Å; L710-L713 HydrophobicContact CD2-CD2 4.42Å; L710-K732 CarbonylContact O-C 3.44Å; L710-L733 HydrophobicContact CB-CD1 4.32Å; L710-L733 HydrophobicContact CD2-CD1 3.97Å; L710-L733 HydrophobicContact CG-CD1 3.84Å; L710-L733 WeakPolarHBondContact O-CA 3.22Å; L710-L733 PolarHBondContact O-N 3.11Å; L710-L733 VanDerWaalsContact O-N 3.12Å
711Q97.9Very high96.7Very high29 Ų2935.5 Ų35.514%0.13619%0.185CC..  trans-112.9-39.8-179.8-65.5176.610.200111.1R688 N709 R734 T735R688-Q711 HydrophobicContact CB-CG 4.43Å; R688-Q711 WeakPolarHBondContact O-CA 3.49Å; R688-Q711 PolarHBondContact O-N 3.25Å; N709-Q711 PolarHBondContact O-N 3.45Å; Q711-R734 PolarHBondContact O-N 2.83Å; Q711-T735 PolarHBondContact O-N 3.44Å; Q711-T735 VanDerWaalsContact O-N 3.08Å
712N98.3Very high96.7Very high34 Ų3438 Ų3818%0.18220%0.203CC..EExtended strand (participates in β ladder)trans-130.4120.3-177.7-58-60.7000109.4R688 Y689 L690 T735R688-N712 PolarHBondContact O-N 2.63Å; Y689-N712 HydrophobicContact CD1-CB 3.93Å; Y689-N712 VanDerWaalsContact CD1-ND2 3.25Å; Y689-N712 WeakPolarHBondContact CD1-ND2 3.24Å; Y689-N712 HydrophobicContact CE1-CB 4.35Å; Y689-N712 WeakPolarHBondContact CE1-ND2 3.27Å; Y689-N712 VanDerWaalsContact CZ-ND2 3.34Å; L690-N712 PolarHBondContact N-O 2.95Å; N712-T735 WeakPolarHBondContact CA-O 3.41Å; N712-T735 WeakPolarHBondContact OD1-CB 3.2Å; N712-T735 PolarHBondContact OD1-OG1 2.9Å
713L98.3Very high96.8Very high2 Ų236.1 Ų36.11%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-120.9123.7173.6179.263000109L690 I704 L710 V715 L727 L733 T735 L736 N737L690-L713 HydrophobicContact CB-CD1 4.01Å; L690-L713 HydrophobicContact CD2-CD1 3.9Å; L690-L713 HydrophobicContact CG-CD1 3.99Å; L690-L713 WeakPolarHBondContact O-CA 3.4Å; I704-L713 HydrophobicContact CD1-CD1 4.4Å; I704-L713 HydrophobicContact CD1-CD2 3.71Å; L710-L713 HydrophobicContact CD2-CB 4.05Å; L710-L713 HydrophobicContact CD2-CD1 4.41Å; L710-L713 HydrophobicContact CD2-CD2 4.42Å; L713-V715 HydrophobicContact CD1-CG1 4.15Å; L713-V715 HydrophobicContact CG-CG1 4.39Å; L713-L727 HydrophobicContact CD2-CD1 3.5Å; L713-L727 HydrophobicContact CD2-CD2 4.5Å; L713-L733 HydrophobicContact CB-CD1 4.06Å; L713-T735 PolarHBondContact N-O 3.05Å; L713-L736 HydrophobicContact CB-CD1 4.12Å; L713-L736 HydrophobicContact CD2-CD1 3.91Å; L713-L736 HydrophobicContact CG-CD1 4.23Å; L713-N737 PolarHBondContact O-N 3.4Å
714A98.1Very high96.7Very high12 Ų1234 Ų3410%0.09918%0.176CC..EExtended strand (participates in β ladder)trans-122.5123.2172.400000110.2L690 D691 L692 S693 N737L690-A714 PolarHBondContact O-N 3.32Å; D691-A714 HydrophobicContact CB-CB 4.39Å; D691-A714 WeakPolarHBondContact OD1-CB 3.43Å; L692-A714 PolarHBondContact N-O 2.94Å; S693-A714 WeakPolarHBondContact OG-CB 3.13Å; A714-N737 HydrophobicContact CB-CB 4.01Å
715V97.6Very high96.6Very high1 Ų137.4 Ų37.41%0.00620%0.198CC..  trans-132.425.8176.2-680000110.5L692 I700 L713 N718 I720 N737 L738 N741L692-V715 HydrophobicContact CB-CG1 4.17Å; I700-V715 HydrophobicContact CD1-CG1 4.21Å; I700-V715 HydrophobicContact CD1-CG2 4.32Å; L713-V715 HydrophobicContact CD1-CG1 4.15Å; L713-V715 HydrophobicContact CG-CG1 4.39Å; V715-N718 PolarHBondContact O-ND2 3.28Å; V715-I720 HydrophobicContact CB-CD1 3.67Å; V715-I720 HydrophobicContact CG1-CD1 4.23Å; V715-I720 HydrophobicContact CG2-CD1 3.75Å; V715-N737 PolarHBondContact N-O 2.8Å; V715-L738 HydrophobicContact CG2-CD2 3.43Å; V715-L738 VanDerWaalsContact CG2-CD2 3.43Å; V715-N741 PolarHBondContact O-ND2 2.93Å
716T97.3Very high96.7Very high15 Ų1540 Ų409%0.09221%0.209CC..  trans-59.1147.1-178-54.60000111.2S693 H694 N718 N737 G739S693-T716 CarbonylContact C-O 3.37Å; S693-T716 WeakPolarHBondContact CA-O 3.44Å; S693-T716 WeakPolarHBondContact CB-O 3.3Å; S693-T716 PolarHBondContact OG-N 3.42Å; H694-T716 PolarHBondContact N-O 3.34Å; T716-N718 PolarHBondContact O-ND2 2.98Å; T716-N737 WeakPolarHBondContact OG1-CB 3.36Å; T716-G739 CarbonylContact C-O 3.07Å; T716-G739 WeakPolarHBondContact CA-O 2.98Å; T716-G739 VanDerWaalsContact CG2-O 3.31Å; T716-G739 WeakPolarHBondContact CG2-O 3.45Å
717A97.6Very high96.8Very high23 Ų2337 Ų3719%0.1919%0.193CC..SBendtrans57.354.1177.700000113H694 N695 G739 N740H694-A717 VanDerWaalsContact CA-O 3.25Å; H694-A717 WeakPolarHBondContact CA-O 3.3Å; H694-A717 HydrophobicContact CB-CB 4.5Å; H694-A717 PolarHBondContact N-O 3.22Å; H694-A717 VanDerWaalsContact ND1-CB 3.33Å; H694-A717 WeakPolarHBondContact ND1-CB 3.21Å; N695-A717 PolarHBondContact N-O 3.45Å; A717-G739 PolarHBondContact N-O 2.71Å; A717-N740 WeakPolarHBondContact CA-O 3.42Å; A717-N740 HydrophobicContact CB-CB 4.13Å; A717-N740 PolarHBondContact N-O 3.39Å
718N98.1Very high96.7Very high11 Ų1137 Ų376%0.05919%0.193CC..SBendtrans-122.6-162170.6-81.6-79.8000109L692 N695 L697 V715 T716 I720 N740 N741L692-N718 PolarHBondContact O-ND2 3.4Å; N695-N718 VanDerWaalsContact CA-OD1 3.27Å; N695-N718 WeakPolarHBondContact CA-OD1 3.35Å; N695-N718 WeakPolarHBondContact CB-OD1 3.31Å; N695-N718 PolarHBondContact N-OD1 3.48Å; N695-N718 PolarHBondContact O-OD1 2.87Å; N695-N718 VanDerWaalsContact O-OD1 3.05Å; L697-N718 HydrophobicContact CB-CB 4.2Å; L697-N718 VanDerWaalsContact CB-OD1 3.29Å; L697-N718 WeakPolarHBondContact CB-OD1 3.37Å; L697-N718 WeakPolarHBondContact CG-OD1 2.93Å; L697-N718 PolarHBondContact N-OD1 3.37Å; V715-N718 PolarHBondContact O-ND2 3.28Å; T716-N718 PolarHBondContact O-ND2 2.98Å; N718-I720 HydrophobicContact CB-CD1 4.16Å; N718-I720 HydrophobicContact CB-CG1 4.08Å; N718-N740 PolarHBondContact N-O 3.42Å; N718-N741 WeakPolarHBondContact CA-OD1 3.12Å; N718-N741 WeakPolarHBondContact CB-OD1 3.28Å; N718-N741 PolarHBondContact N-OD1 2.95Å; N718-N741 PolarHBondContact O-OD1 3.47Å
719R96.7Very high96.7Very high151 Ų15136.9 Ų36.957%0.5719%0.193SC*.  trans-123.637.2177-57.7178.6-167.1163.85.2111L697 T698 E721 N741L697-R719 CarbonylContact O-C 3.36Å; L697-R719 VanDerWaalsContact O-C 3.22Å; L697-R719 WeakPolarHBondContact O-CA 3.46Å; L697-R719 PolarHBondContact O-N 2.85Å; T698-R719 WeakPolarHBondContact CA-O 3.47Å; T698-R719 HydrophobicContact CG2-CB 4.48Å; R719-E721 PolarHBondContact O-N 3.48Å; R719-N741 PolarHBondContact N-OD1 3.18Å
720I97.5Very high96.7Very high1 Ų134.4 Ų34.41%0.00518%0.18CC..  trans-72.4123.5-176-60.4166.4000109.5L697 T698 I700 V715 N718 S722 L723 N741 V742 L743L697-I720 HydrophobicContact CB-CG1 4.46Å; L697-I720 PolarHBondContact O-N 2.96Å; T698-I720 WeakPolarHBondContact O-CA 3.12Å; I700-I720 HydrophobicContact CD1-CD1 4.07Å; I700-I720 HydrophobicContact CG1-CD1 3.94Å; V715-I720 HydrophobicContact CB-CD1 3.67Å; V715-I720 HydrophobicContact CG1-CD1 4.23Å; V715-I720 HydrophobicContact CG2-CD1 3.75Å; N718-I720 HydrophobicContact CB-CD1 4.16Å; N718-I720 HydrophobicContact CB-CG1 4.08Å; I720-S722 WeakPolarHBondContact CG2-O 3.42Å; I720-L723 HydrophobicContact CG2-CD2 4.35Å; I720-N741 HydrophobicContact CB-CB 4.42Å; I720-N741 WeakPolarHBondContact CB-OD1 3.41Å; I720-N741 WeakPolarHBondContact CG1-OD1 3.49Å; I720-N741 PolarHBondContact N-OD1 3.35Å; I720-V742 CarbonylContact O-C 3.55Å; I720-V742 WeakPolarHBondContact O-CG2 2.99Å; I720-V742 PolarHBondContact O-N 3.1Å; I720-V742 VanDerWaalsContact O-N 3.09Å; I720-L743 HydrophobicContact CG2-CD2 3.96Å; I720-L743 PolarHBondContact O-N 3.35Å
721E95.1Very high96.4Very high126 Ų12638 Ų3859%0.58920%0.195SC*.  trans-86.8-37.4-178.1-64.9-178.4179.600113.2T698 R719 V742T698-E721 PolarHBondContact O-N 3.24Å; R719-E721 PolarHBondContact O-N 3.48Å; E721-V742 HydrophobicContact CG-CG2 3.84Å
722S94.8Very high96.4Very high78 Ų7841.2 Ų41.255%0.54521%0.208SC..  trans-149.1150.6179.961.80000111.2I720I720-S722 WeakPolarHBondContact CG2-O 3.42Å
723L96.6Very high96.3Very high10 Ų1039.6 Ų39.65%0.05220%0.2CC..  trans-90.3134.4172.7-58.1174.9000110.2I700 I720 L727 F728 L738 L743 L746 P747I700-L723 HydrophobicContact CD1-CD2 4.03Å; I720-L723 HydrophobicContact CG2-CD2 4.35Å; L723-L727 HydrophobicContact CB-CD2 4.27Å; L723-L727 HydrophobicContact CD1-CD2 4.16Å; L723-L727 HydrophobicContact CD2-CD2 4.18Å; L723-L727 HydrophobicContact CG-CD2 4.44Å; L723-F728 HydrophobicContact CB-CE2 4.46Å; L723-F728 HydrophobicContact CB-CZ 4.47Å; L723-F728 HydrophobicContact CD1-CZ 4.19Å; L723-L738 HydrophobicContact CD1-CD1 3.62Å; L723-L738 HydrophobicContact CD1-CD2 4.33Å; L723-L738 HydrophobicContact CD2-CD2 3.8Å; L723-L743 HydrophobicContact CD1-CD1 4.25Å; L723-L743 HydrophobicContact CD2-CD1 4.32Å; L723-L743 HydrophobicContact CD2-CD2 4.08Å; L723-L743 HydrophobicContact CG-CD1 4.2Å; L723-L743 HydrophobicContact CG-CD2 3.89Å; L723-L746 HydrophobicContact CD1-CD1 3.91Å; L723-P747 HydrophobicContact CB-CG 4.47Å
724P95.5Very high96.3Very high15 Ų1545.5 Ų45.510%0.09722%0.222CC..  trans-65.8140.4175.229-35.6000110.3I700 I704 E726 L727I700-P724 HydrophobicContact CB-CG 4.02Å; I700-P724 HydrophobicContact CG2-CG 4.11Å; I700-P724 WeakPolarHBondContact O-CG 3.39Å; I704-P724 HydrophobicContact CG2-CG 3.94Å; P724-E726 WeakPolarHBondContact CB-OE2 3.33Å; P724-E726 PolarHBondContact O-N 3.3Å; P724-E726 VanDerWaalsContact O-N 3.13Å; P724-L727 HydrophobicContact CG-CB 4.32Å; P724-L727 WeakPolarHBondContact O-CB 3.44Å; P724-L727 PolarHBondContact O-N 2.95Å
725P93.6Very high96.3Very high73 Ų7346 Ų4647%0.47422%0.224SC..G310 helixtrans-60.1-24178.324.7-33.3000112.8L727 F728P725-L727 VanDerWaalsContact C-N 3.26Å; P725-L727 PolarHBondContact O-N 2.89Å; P725-F728 WeakPolarHBondContact O-CD2 3.42Å; P725-F728 PolarHBondContact O-N 2.88Å
726E96.4Very high96.3Very high57 Ų5746 Ų4627%0.26622%0.224SC..G310 helixtrans-66.5-23.2176.8-63.278-169.300113.3A702 G705 P724 F728 Q729A702-E726 HydrophobicContact CB-CG 3.99Å; A702-E726 WeakPolarHBondContact O-CB 3.4Å; A702-E726 WeakPolarHBondContact O-CG 3.38Å; G705-E726 VanDerWaalsContact CA-O 3.3Å; G705-E726 WeakPolarHBondContact CA-O 3.47Å; P724-E726 WeakPolarHBondContact CB-OE2 3.33Å; P724-E726 PolarHBondContact O-N 3.3Å; P724-E726 VanDerWaalsContact O-N 3.13Å; E726-F728 PolarHBondContact O-N 3.43Å; E726-Q729 VanDerWaalsContact O-CB 3.22Å; E726-Q729 WeakPolarHBondContact O-CB 3.4Å; E726-Q729 WeakPolarHBondContact O-CG 3.49Å; E726-Q729 PolarHBondContact O-N 3.35Å
727L96.6Very high96.3Very high0 Ų046.9 Ų46.90%023%0.228CC..G310 helixtrans-56-35.7175174.161.7000111.9I704 L713 L723 P724 P725 Q729 C730 L736I704-L727 HydrophobicContact CD1-CD1 3.8Å; I704-L727 HydrophobicContact CG1-CD1 4.2Å; I704-L727 HydrophobicContact CG2-CB 4.09Å; L713-L727 HydrophobicContact CD2-CD1 3.5Å; L713-L727 HydrophobicContact CD2-CD2 4.5Å; L723-L727 HydrophobicContact CB-CD2 4.27Å; L723-L727 HydrophobicContact CD1-CD2 4.16Å; L723-L727 HydrophobicContact CD2-CD2 4.18Å; L723-L727 HydrophobicContact CG-CD2 4.44Å; P724-L727 HydrophobicContact CG-CB 4.32Å; P724-L727 WeakPolarHBondContact O-CB 3.44Å; P724-L727 PolarHBondContact O-N 2.95Å; P725-L727 VanDerWaalsContact C-N 3.26Å; P725-L727 PolarHBondContact O-N 2.89Å; L727-Q729 PolarHBondContact O-N 3.44Å; L727-C730 WeakPolarHBondContact O-CB 3.36Å; L727-C730 PolarHBondContact O-N 3.44Å; L727-L736 HydrophobicContact CD2-CD1 4.37Å; L727-L736 HydrophobicContact CD2-CD2 4.39Å
728F95.4Very high96.3Very high0 Ų045.8 Ų45.80%022%0.219CC..G310 helixtrans-79-3.1-177.7-53-77.6000113.2L723 P725 E726 C730 K731 P747 R749 V750 L753L723-F728 HydrophobicContact CB-CE2 4.46Å; L723-F728 HydrophobicContact CB-CZ 4.47Å; L723-F728 HydrophobicContact CD1-CZ 4.19Å; P725-F728 WeakPolarHBondContact O-CD2 3.42Å; P725-F728 PolarHBondContact O-N 2.88Å; E726-F728 PolarHBondContact O-N 3.43Å; F728-C730 VanDerWaalsContact C-N 3.27Å; F728-K731 PolarHBondContact O-NZ 2.76Å; F728-P747 HydrophobicContact CD2-CB 4.39Å; F728-P747 HydrophobicContact CE2-CB 3.61Å; F728-P747 HydrophobicContact CE2-CG 3.65Å; F728-P747 HydrophobicContact CZ-CB 3.86Å; F728-P747 HydrophobicContact CZ-CG 3.87Å; F728-R749 HydrophobicContact CB-CB 3.91Å; F728-R749 HydrophobicContact CB-CG 3.72Å; F728-R749 HydrophobicContact CD1-CB 4.48Å; F728-R749 HydrophobicContact CD2-CB 3.86Å; F728-R749 HydrophobicContact CD2-CG 4.46Å; F728-R749 HydrophobicContact CG-CB 3.8Å; F728-R749 HydrophobicContact CG-CG 4.19Å; F728-V750 VanDerWaalsContact CD1-CA 3.45Å; F728-V750 HydrophobicContact CD1-CB 4.15Å; F728-V750 HydrophobicContact CE1-CB 3.7Å; F728-V750 HydrophobicContact CE1-CG2 4.09Å; F728-L753 HydrophobicContact CD1-CD1 3.82Å; F728-L753 HydrophobicContact CD1-CG 4.14Å; F728-L753 HydrophobicContact CE1-CD1 4.34Å
729Q94.9Very high96.2Very high85 Ų8545.3 Ų45.340%0.39722%0.216SC..G310 helixtrans-76.4-15.7168.5-58.4174.20.100111.8Q708 E726 L727 K731Q708-Q729 PolarHBondContact NE2-O 3.46Å; Q708-Q729 VanDerWaalsContact NE2-O 3.14Å; Q708-Q729 PolarHBondContact OE1-O 3.01Å; Q708-Q729 VanDerWaalsContact OE1-O 3.11Å; E726-Q729 VanDerWaalsContact O-CB 3.22Å; E726-Q729 WeakPolarHBondContact O-CB 3.4Å; E726-Q729 WeakPolarHBondContact O-CG 3.49Å; E726-Q729 PolarHBondContact O-N 3.35Å; L727-Q729 PolarHBondContact O-N 3.44Å; Q729-K731 VanDerWaalsContact C-N 3.32Å; Q729-K731 PolarHBondContact O-N 2.92Å
730C96Very high96.2Very high0 Ų042.5 Ų42.50%021%0.213CC..  trans-75.474.3176.8-63.90000112.1I704 L707 L727 F728 K732 L733 L753I704-C730 PolarHBondContact O-SG 2.84Å; L707-C730 PolarHBondContact O-SG 3.19Å; L707-C730 VanDerWaalsContact O-SG 3.37Å; L727-C730 WeakPolarHBondContact O-CB 3.36Å; L727-C730 PolarHBondContact O-N 3.44Å; F728-C730 VanDerWaalsContact C-N 3.27Å; C730-K732 PolarHBondContact O-N 3.24Å; C730-L733 WeakPolarHBondContact O-CB 2.95Å; C730-L733 PolarHBondContact O-N 2.91Å; C730-L753 WeakPolarHBondContact O-CD2 3.44Å
731K92.8Very high96.2Very high75 Ų7542.7 Ų42.733%0.32621%0.214SC..THydrogen-bonded Turntrans-62.3-14.6-171.3-58.6-52.7-177.4-166.50116F728 Q729 E752 N755F728-K731 PolarHBondContact O-NZ 2.76Å; Q729-K731 VanDerWaalsContact C-N 3.32Å; Q729-K731 PolarHBondContact O-N 2.92Å; K731-E752 PolarHBondContact NZ-O 3.4Å; K731-E752 IonicContact NZ-OE2 2.78Å; K731-E752 PolarHBondContact NZ-OE2 2.98Å; K731-N755 PolarHBondContact O-ND2 3.42Å
732K96.8Very high96.3Very high96 Ų9638.1 Ų38.142%0.41719%0.194SC..THydrogen-bonded Turntrans-90.71.6177.6-64.3-168.7-170.8168.70114.1N709 L710 C730 R734N709-K732 PolarHBondContact OD1-NZ 3.16Å; L710-K732 CarbonylContact O-C 3.44Å; C730-K732 PolarHBondContact O-N 3.24Å; K732-R734 PolarHBondContact O-N 3.42Å
733L97.5Very high96.4Very high0 Ų034.4 Ų34.40%017%0.169CC..  trans-64129.5-178.2-155.174.4000110.6L710 L713 C730 L736 L753 N755 L756L710-L733 HydrophobicContact CB-CD1 4.32Å; L710-L733 HydrophobicContact CD2-CD1 3.97Å; L710-L733 HydrophobicContact CG-CD1 3.84Å; L710-L733 WeakPolarHBondContact O-CA 3.22Å; L710-L733 PolarHBondContact O-N 3.11Å; L710-L733 VanDerWaalsContact O-N 3.12Å; L713-L733 HydrophobicContact CB-CD1 4.06Å; C730-L733 WeakPolarHBondContact O-CB 2.95Å; C730-L733 PolarHBondContact O-N 2.91Å; L733-L736 HydrophobicContact CD2-CB 3.94Å; L733-L736 HydrophobicContact CD2-CD1 4.1Å; L733-L736 HydrophobicContact CD2-CD2 4.04Å; L733-L736 HydrophobicContact CD2-CG 4.24Å; L733-L753 HydrophobicContact CB-CD2 4.26Å; L733-L753 HydrophobicContact CD2-CD1 3.93Å; L733-N755 CarbonylContact O-C 3.59Å; L733-L756 WeakPolarHBondContact O-CA 3.14Å; L733-L756 PolarHBondContact O-N 3.02Å
734R97.2Very high96.3Very high127 Ų12740.6 Ų40.648%0.47920%0.197SC..  trans-114.8-43.3-178.7-63.2-178.1-179.9-172.2-3.5111.5Q711 K732 N755 S757 Q758Q711-R734 PolarHBondContact O-N 2.83Å; K732-R734 PolarHBondContact O-N 3.42Å; R734-N755 WeakPolarHBondContact CA-O 3.28Å; R734-S757 PolarHBondContact O-N 3.32Å; R734-S757 PolarHBondContact O-OG 3.36Å; R734-S757 VanDerWaalsContact O-OG 3.12Å; R734-Q758 PolarHBondContact O-N 3.33Å
735T97.7Very high96.2Very high23 Ų2343.7 Ų43.714%0.14122%0.219CC..EExtended strand (participates in β ladder)trans-122.2124.7-179.6-45.40000109.7Q711 N712 L713 N737 Q758Q711-T735 PolarHBondContact O-N 3.44Å; Q711-T735 VanDerWaalsContact O-N 3.08Å; N712-T735 WeakPolarHBondContact CA-O 3.41Å; N712-T735 WeakPolarHBondContact OD1-CB 3.2Å; N712-T735 PolarHBondContact OD1-OG1 2.9Å; L713-T735 PolarHBondContact N-O 3.05Å; T735-N737 WeakPolarHBondContact CG2-OD1 3.16Å; T735-Q758 WeakPolarHBondContact CA-O 3.24Å; T735-Q758 HydrophobicContact CG2-CB 4.13Å; T735-Q758 HydrophobicContact CG2-CG 4.16Å
736L97.8Very high96.3Very high0 Ų040.6 Ų40.60%020%0.199CC..EExtended strand (participates in β ladder)trans-126.7100.6177.4-179.253.5000110L713 L727 L733 L738 L756 Q758 I759 E760L713-L736 HydrophobicContact CB-CD1 4.12Å; L713-L736 HydrophobicContact CD2-CD1 3.91Å; L713-L736 HydrophobicContact CG-CD1 4.23Å; L727-L736 HydrophobicContact CD2-CD1 4.37Å; L727-L736 HydrophobicContact CD2-CD2 4.39Å; L733-L736 HydrophobicContact CD2-CB 3.94Å; L733-L736 HydrophobicContact CD2-CD1 4.1Å; L733-L736 HydrophobicContact CD2-CD2 4.04Å; L733-L736 HydrophobicContact CD2-CG 4.24Å; L736-L738 HydrophobicContact CD1-CD1 4.29Å; L736-L738 HydrophobicContact CD1-CD2 3.72Å; L736-L738 HydrophobicContact CD1-CG 3.94Å; L736-L738 HydrophobicContact CD2-CD1 3.92Å; L736-L738 HydrophobicContact CD2-CG 4.45Å; L736-L738 HydrophobicContact CG-CD1 3.81Å; L736-L738 HydrophobicContact CG-CD2 4.16Å; L736-L738 HydrophobicContact CG-CG 3.81Å; L736-L756 HydrophobicContact CB-CD1 3.96Å; L736-Q758 PolarHBondContact N-O 2.99Å; L736-I759 HydrophobicContact CB-CG1 4.23Å; L736-I759 HydrophobicContact CD2-CD1 4.21Å; L736-I759 HydrophobicContact CD2-CG1 4.49Å; L736-I759 HydrophobicContact CG-CG1 4.39Å; L736-I759 VanDerWaalsContact O-CA 3.3Å; L736-I759 WeakPolarHBondContact O-CA 3.25Å; L736-E760 PolarHBondContact O-N 3.47Å
737N97.7Very high96.2Very high34 Ų3439.5 Ų39.518%0.18220%0.196CC..EExtended strand (participates in β ladder)trans-100110.8-179.1-61.1-16.8000110.4L713 A714 V715 T716 T735 E760L713-N737 PolarHBondContact O-N 3.4Å; A714-N737 HydrophobicContact CB-CB 4.01Å; V715-N737 PolarHBondContact N-O 2.8Å; T716-N737 WeakPolarHBondContact OG1-CB 3.36Å; T735-N737 WeakPolarHBondContact CG2-OD1 3.16Å; N737-E760 HydrophobicContact CB-CB 4.39Å
738L97.4Very high96Very high0 Ų042.8 Ų42.80%022%0.219CC..  trans-120.66.2-173.6-58.9170000112.7V715 L723 L736 N741 L743 L746 E760 L761 N764V715-L738 HydrophobicContact CG2-CD2 3.43Å; V715-L738 VanDerWaalsContact CG2-CD2 3.43Å; L723-L738 HydrophobicContact CD1-CD1 3.62Å; L723-L738 HydrophobicContact CD1-CD2 4.33Å; L723-L738 HydrophobicContact CD2-CD2 3.8Å; L736-L738 HydrophobicContact CD1-CD1 4.29Å; L736-L738 HydrophobicContact CD1-CD2 3.72Å; L736-L738 HydrophobicContact CD1-CG 3.94Å; L736-L738 HydrophobicContact CD2-CD1 3.92Å; L736-L738 HydrophobicContact CD2-CG 4.45Å; L736-L738 HydrophobicContact CG-CD1 3.81Å; L736-L738 HydrophobicContact CG-CD2 4.16Å; L736-L738 HydrophobicContact CG-CG 3.81Å; L738-N741 PolarHBondContact O-ND2 3.35Å; L738-L743 HydrophobicContact CB-CD1 4.07Å; L738-L743 HydrophobicContact CD1-CD1 4.15Å; L738-L746 HydrophobicContact CD1-CD1 4.37Å; L738-E760 CarbonylContact C-O 3.33Å; L738-E760 WeakPolarHBondContact CA-O 3.23Å; L738-E760 VanDerWaalsContact CB-O 3.31Å; L738-E760 WeakPolarHBondContact CB-O 3.41Å; L738-E760 PolarHBondContact N-O 3.16Å; L738-L761 HydrophobicContact CB-CD2 4.26Å; L738-L761 HydrophobicContact CD1-CD2 3.72Å; L738-N764 PolarHBondContact O-ND2 3.4Å
739G95.9Very high96Very high0 Ų048.2 Ų48.20%024%0.24CC..  trans-60.5158.8-171.500000113.8T716 A717 N741 E760 R762T716-G739 CarbonylContact C-O 3.07Å; T716-G739 WeakPolarHBondContact CA-O 2.98Å; T716-G739 VanDerWaalsContact CG2-O 3.31Å; T716-G739 WeakPolarHBondContact CG2-O 3.45Å; A717-G739 PolarHBondContact N-O 2.71Å; G739-N741 PolarHBondContact O-N 3.23Å; G739-N741 PolarHBondContact O-ND2 3.22Å; G739-E760 PolarHBondContact N-O 3.27Å; G739-R762 CarbonylContact C-O 3.22Å; G739-R762 VanDerWaalsContact C-O 3.32Å; G739-R762 WeakPolarHBondContact CA-O 3.48Å
740N97.3Very high95.9Very high92 Ų9244.1 Ų44.149%0.49222%0.221SC..SBendtrans51.351.9179.2-61.1-39.9000112.8A717 N718 R762 G763A717-N740 WeakPolarHBondContact CA-O 3.42Å; A717-N740 HydrophobicContact CB-CB 4.13Å; A717-N740 PolarHBondContact N-O 3.39Å; N718-N740 PolarHBondContact N-O 3.42Å; N740-R762 PolarHBondContact N-O 3.49Å; N740-G763 VanDerWaalsContact CA-O 3.29Å; N740-G763 WeakPolarHBondContact CA-O 3.3Å
741N98Very high95.7Very high6 Ų644.2 Ų44.23%0.03222%0.222CC..SBendtrans-121-165.4171.6-84-76.5000109.3V715 N718 R719 I720 L738 G739 L743 G763 N764V715-N741 PolarHBondContact O-ND2 2.93Å; N718-N741 WeakPolarHBondContact CA-OD1 3.12Å; N718-N741 WeakPolarHBondContact CB-OD1 3.28Å; N718-N741 PolarHBondContact N-OD1 2.95Å; N718-N741 PolarHBondContact O-OD1 3.47Å; R719-N741 PolarHBondContact N-OD1 3.18Å; I720-N741 HydrophobicContact CB-CB 4.42Å; I720-N741 WeakPolarHBondContact CB-OD1 3.41Å; I720-N741 WeakPolarHBondContact CG1-OD1 3.49Å; I720-N741 PolarHBondContact N-OD1 3.35Å; L738-N741 PolarHBondContact O-ND2 3.35Å; G739-N741 PolarHBondContact O-N 3.23Å; G739-N741 PolarHBondContact O-ND2 3.22Å; N741-L743 HydrophobicContact CB-CG 4.32Å; N741-G763 PolarHBondContact N-O 2.04Å; N741-G763 VanDerWaalsContact O-O 3.08Å; N741-N764 WeakPolarHBondContact CA-OD1 3.25Å; N741-N764 WeakPolarHBondContact CB-OD1 3.48Å; N741-N764 PolarHBondContact N-OD1 3.39Å; N741-N764 PolarHBondContact O-OD1 2.92Å
742V97.1Very high95.8Very high30 Ų3043.9 Ų43.918%0.18222%0.221CC..  trans-121.433178.1-66.90000111.5I720 E721 Q744 N764I720-V742 CarbonylContact O-C 3.55Å; I720-V742 WeakPolarHBondContact O-CG2 2.99Å; I720-V742 PolarHBondContact O-N 3.1Å; I720-V742 VanDerWaalsContact O-N 3.09Å; E721-V742 HydrophobicContact CG-CG2 3.84Å; V742-Q744 PolarHBondContact O-N 3.47Å; V742-N764 PolarHBondContact N-OD1 3.24Å
743L96.8Very high95.7Very high0 Ų039.3 Ų39.30%020%0.201CC..  trans-63128.4177.8-62.4174.5000110.4I720 L723 L738 N741 N764 R765 L766I720-L743 HydrophobicContact CG2-CD2 3.96Å; I720-L743 PolarHBondContact O-N 3.35Å; L723-L743 HydrophobicContact CD1-CD1 4.25Å; L723-L743 HydrophobicContact CD2-CD1 4.32Å; L723-L743 HydrophobicContact CD2-CD2 4.08Å; L723-L743 HydrophobicContact CG-CD1 4.2Å; L723-L743 HydrophobicContact CG-CD2 3.89Å; L738-L743 HydrophobicContact CB-CD1 4.07Å; L738-L743 HydrophobicContact CD1-CD1 4.15Å; N741-L743 HydrophobicContact CB-CG 4.32Å; L743-N764 HydrophobicContact CB-CB 4.21Å; L743-N764 VanDerWaalsContact CB-OD1 3.3Å; L743-N764 WeakPolarHBondContact CB-OD1 3.26Å; L743-N764 WeakPolarHBondContact CG-OD1 3.45Å; L743-N764 PolarHBondContact N-OD1 3.12Å; L743-N764 VanDerWaalsContact N-OD1 3.1Å; L743-R765 CarbonylContact O-C 3.48Å; L743-R765 WeakPolarHBondContact O-CA 3.4Å; L743-R765 PolarHBondContact O-N 3.3Å; L743-L766 HydrophobicContact CB-CD2 4.08Å; L743-L766 PolarHBondContact O-N 2.91Å
744Q94.7Very high95.5Very high140 Ų14042.8 Ų42.865%0.65422%0.223SC*.SBendtrans-89.2-33.1176.2-63.117815.900112.4V742V742-Q744 PolarHBondContact O-N 3.47Å
745S93.9Very high95.5Very high79 Ų7939.8 Ų39.855%0.55222%0.216SC*.  trans-143.4151.1177.763.60000110.8L766S745-L766 VanDerWaalsContact C-CD2 3.49Å
746L95.4Very high95.4Very high9 Ų938.7 Ų38.75%0.04721%0.209CC..  trans-96.9120.9165.9-17966.8000107.5L723 L738 S748 V750 I759 L761 P770 L773L723-L746 HydrophobicContact CD1-CD1 3.91Å; L738-L746 HydrophobicContact CD1-CD1 4.37Å; L746-S748 PolarHBondContact O-N 2.88Å; L746-V750 HydrophobicContact CD2-CB 4.32Å; L746-V750 HydrophobicContact CD2-CG1 4.01Å; L746-V750 HydrophobicContact CD2-CG2 4.23Å; L746-V750 HydrophobicContact CG-CB 4.3Å; L746-V750 HydrophobicContact CG-CG1 4.21Å; L746-I759 HydrophobicContact CD1-CD1 4.36Å; L746-I759 HydrophobicContact CD2-CD1 3.98Å; L746-L761 HydrophobicContact CD1-CD2 4.35Å; L746-L761 HydrophobicContact CD2-CD1 3.93Å; L746-L761 HydrophobicContact CD2-CD2 4.39Å; L746-P770 HydrophobicContact CB-CG 4.02Å; L746-P770 HydrophobicContact CD2-CG 3.83Å; L746-P770 HydrophobicContact CG-CG 3.97Å; L746-L773 HydrophobicContact CD2-CD1 4.3Å; L746-L773 HydrophobicContact CD2-CD2 4.1Å; L746-L773 HydrophobicContact CD2-CG 4.46Å
747P93.8Very high95.3Very high34 Ų3441 Ų4122%0.22123%0.225CC..  trans-57.3137.2179.4-28.636.9000112.4L723 F728 R749 V750L723-P747 HydrophobicContact CB-CG 4.47Å; F728-P747 HydrophobicContact CD2-CB 4.39Å; F728-P747 HydrophobicContact CE2-CB 3.61Å; F728-P747 HydrophobicContact CE2-CG 3.65Å; F728-P747 HydrophobicContact CZ-CB 3.86Å; F728-P747 HydrophobicContact CZ-CG 3.87Å; P747-R749 PolarHBondContact O-N 3.47Å; P747-V750 WeakPolarHBondContact O-CB 3.21Å; P747-V750 WeakPolarHBondContact O-CG1 3.28Å; P747-V750 PolarHBondContact O-N 2.85Å
748S91.8Very high95.3Very high69 Ų6943.1 Ų43.148%0.48323%0.234SC..G310 helixtrans-54-26.8176.449.90000113.1L746 V750 G751 E772L746-S748 PolarHBondContact O-N 2.88Å; S748-V750 PolarHBondContact O-N 3.1Å; S748-G751 PolarHBondContact O-N 2.76Å; S748-G751 VanDerWaalsContact O-N 3.11Å; S748-E772 VanDerWaalsContact CB-OE1 3.28Å; S748-E772 WeakPolarHBondContact CB-OE1 3.38Å; S748-E772 WeakPolarHBondContact O-CB 3.47Å
749R94.9Very high95.3Very high113 Ų11343.1 Ų43.143%0.42623%0.234SC..G310 helixtrans-58.5-11175.3-146.1170.7-172.5118.620.1114.6F728 P747 G751 E752F728-R749 HydrophobicContact CB-CB 3.91Å; F728-R749 HydrophobicContact CB-CG 3.72Å; F728-R749 HydrophobicContact CD1-CB 4.48Å; F728-R749 HydrophobicContact CD2-CB 3.86Å; F728-R749 HydrophobicContact CD2-CG 4.46Å; F728-R749 HydrophobicContact CG-CB 3.8Å; F728-R749 HydrophobicContact CG-CG 4.19Å; P747-R749 PolarHBondContact O-N 3.47Å; R749-G751 PolarHBondContact O-N 2.79Å; R749-E752 HydrophobicContact CG-CG 3.77Å; R749-E752 VanDerWaalsContact CG-OE1 3.29Å; R749-E752 WeakPolarHBondContact CG-OE1 3.31Å; R749-E752 IonicContact CZ-OE1 3.66Å; R749-E752 IonicContact CZ-OE2 3.76Å; R749-E752 VanDerWaalsContact NE-CD 3.25Å; R749-E752 IonicContact NE-OE1 3.48Å; R749-E752 PolarHBondContact NE-OE1 3.18Å; R749-E752 IonicContact NE-OE2 3.1Å; R749-E752 PolarHBondContact NE-OE2 2.79Å; R749-E752 IonicContact NH2-OE1 3.72Å; R749-E752 PolarHBondContact NH2-OE1 2.73Å; R749-E752 IonicContact NH2-OE2 2.74Å; R749-E752 PolarHBondContact NH2-OE2 3.32Å; R749-E752 WeakPolarHBondContact O-CB 3.26Å; R749-E752 PolarHBondContact O-N 3.28Å
750V94.4Very high95.3Very high0 Ų045.6 Ų45.60%025%0.246CC..G310 helixtrans-54.9-33.5169.370.80000112.9F728 L746 P747 S748 E752 L753 L756 I759 P770 L773 C776F728-V750 VanDerWaalsContact CD1-CA 3.45Å; F728-V750 HydrophobicContact CD1-CB 4.15Å; F728-V750 HydrophobicContact CE1-CB 3.7Å; F728-V750 HydrophobicContact CE1-CG2 4.09Å; L746-V750 HydrophobicContact CD2-CB 4.32Å; L746-V750 HydrophobicContact CD2-CG1 4.01Å; L746-V750 HydrophobicContact CD2-CG2 4.23Å; L746-V750 HydrophobicContact CG-CB 4.3Å; L746-V750 HydrophobicContact CG-CG1 4.21Å; P747-V750 WeakPolarHBondContact O-CB 3.21Å; P747-V750 WeakPolarHBondContact O-CG1 3.28Å; P747-V750 PolarHBondContact O-N 2.85Å; S748-V750 PolarHBondContact O-N 3.1Å; V750-E752 PolarHBondContact O-N 2.93Å; V750-L753 HydrophobicContact CG2-CD1 4.46Å; V750-L753 WeakPolarHBondContact O-CB 3.04Å; V750-L753 PolarHBondContact O-N 2.03Å; V750-L756 HydrophobicContact CG2-CD2 4.05Å; V750-I759 HydrophobicContact CG2-CD1 4.12Å; V750-P770 HydrophobicContact CG1-CG 3.8Å; V750-L773 HydrophobicContact CB-CD2 4.43Å; V750-L773 HydrophobicContact CG1-CD2 3.69Å; V750-L773 HydrophobicContact CG1-CG 4.05Å; V750-L773 HydrophobicContact CG2-CD2 3.84Å; V750-C776 PolarHBondContact O-SG 2.94Å
751G91.4Very high95.3Very high2 Ų241.2 Ų41.22%0.02122%0.223CC..G310 helixtrans-61.3-24.5176.200000113.7S748 R749 L753 E772S748-G751 PolarHBondContact O-N 2.76Å; S748-G751 VanDerWaalsContact O-N 3.11Å; R749-G751 PolarHBondContact O-N 2.79Å; G751-L753 PolarHBondContact O-N 3.39Å; G751-E772 WeakPolarHBondContact CA-O 3.06Å
752E94.4Very high95.2Very high68 Ų6846.5 Ų46.532%0.31824%0.242SC..G310 helixtrans-73.8-6.6177.1-50.4-175.1174.100113.7K731 R749 V750 T754K731-E752 PolarHBondContact NZ-O 3.4Å; K731-E752 IonicContact NZ-OE2 2.78Å; K731-E752 PolarHBondContact NZ-OE2 2.98Å; R749-E752 HydrophobicContact CG-CG 3.77Å; R749-E752 VanDerWaalsContact CG-OE1 3.29Å; R749-E752 WeakPolarHBondContact CG-OE1 3.31Å; R749-E752 IonicContact CZ-OE1 3.66Å; R749-E752 IonicContact CZ-OE2 3.76Å; R749-E752 VanDerWaalsContact NE-CD 3.25Å; R749-E752 IonicContact NE-OE1 3.48Å; R749-E752 PolarHBondContact NE-OE1 3.18Å; R749-E752 IonicContact NE-OE2 3.1Å; R749-E752 PolarHBondContact NE-OE2 2.79Å; R749-E752 IonicContact NH2-OE1 3.72Å; R749-E752 PolarHBondContact NH2-OE1 2.73Å; R749-E752 IonicContact NH2-OE2 2.74Å; R749-E752 PolarHBondContact NH2-OE2 3.32Å; R749-E752 WeakPolarHBondContact O-CB 3.26Å; R749-E752 PolarHBondContact O-N 3.28Å; V750-E752 PolarHBondContact O-N 2.93Å; E752-T754 PolarHBondContact O-N 3.26Å
753L95.7Very high95.1Very high0 Ų046.7 Ų46.70%025%0.25CC..  trans-86.775.1175.7-62.4177.8000110.1F728 C730 L733 V750 G751 N755 L756F728-L753 HydrophobicContact CD1-CD1 3.82Å; F728-L753 HydrophobicContact CD1-CG 4.14Å; F728-L753 HydrophobicContact CE1-CD1 4.34Å; C730-L753 WeakPolarHBondContact O-CD2 3.44Å; L733-L753 HydrophobicContact CB-CD2 4.26Å; L733-L753 HydrophobicContact CD2-CD1 3.93Å; V750-L753 HydrophobicContact CG2-CD1 4.46Å; V750-L753 WeakPolarHBondContact O-CB 3.04Å; V750-L753 PolarHBondContact O-N 2.03Å; G751-L753 PolarHBondContact O-N 3.39Å; L753-N755 PolarHBondContact O-N 3.31Å; L753-N755 VanDerWaalsContact O-N 3.11Å; L753-L756 HydrophobicContact CB-CB 3.96Å; L753-L756 HydrophobicContact CD1-CD1 4.47Å; L753-L756 HydrophobicContact CD1-CD2 4.5Å; L753-L756 WeakPolarHBondContact O-CB 3.49Å; L753-L756 PolarHBondContact O-N 3.05Å
754T93.3Very high95.1Very high73 Ų7347.7 Ų47.745%0.44826%0.255SS..THydrogen-bonded Turntrans-63.3-19.9-174.7570000114.6E752 P777E752-T754 PolarHBondContact O-N 3.26Å; T754-P777 VanDerWaalsContact O-CD 3.32Å; T754-P777 WeakPolarHBondContact O-CD 3.38Å; T754-P777 WeakPolarHBondContact O-CG 3.02Å
755N95.7Very high95.1Very high63 Ų6349.2 Ų49.234%0.33726%0.255SS..THydrogen-bonded Turntrans-93.41177.4-68.9-56.9000114K731 L733 R734 L753 S757K731-N755 PolarHBondContact O-ND2 3.42Å; L733-N755 CarbonylContact O-C 3.59Å; R734-N755 WeakPolarHBondContact CA-O 3.28Å; L753-N755 PolarHBondContact O-N 3.31Å; L753-N755 VanDerWaalsContact O-N 3.11Å; N755-S757 PolarHBondContact O-N 3.11Å
756L96.6Very high95.2Very high0 Ų046.2 Ų46.20%023%0.232CC..  trans-68.9119.7-176.3-168.172.4000110.1L733 L736 V750 L753 I759 L778 L779L733-L756 WeakPolarHBondContact O-CA 3.14Å; L733-L756 PolarHBondContact O-N 3.02Å; L736-L756 HydrophobicContact CB-CD1 3.96Å; V750-L756 HydrophobicContact CG2-CD2 4.05Å; L753-L756 HydrophobicContact CB-CB 3.96Å; L753-L756 HydrophobicContact CD1-CD1 4.47Å; L753-L756 HydrophobicContact CD1-CD2 4.5Å; L753-L756 WeakPolarHBondContact O-CB 3.49Å; L753-L756 PolarHBondContact O-N 3.05Å; L756-I759 HydrophobicContact CD2-CB 4.2Å; L756-I759 HydrophobicContact CD2-CD1 4.32Å; L756-L778 CarbonylContact O-C 3.32Å; L756-L779 PolarHBondContact O-N 3.24Å; L756-L779 VanDerWaalsContact O-N 3.17Å
757S95.6Very high95Very high48 Ų4854 Ų5434%0.33627%0.269SS..  trans-108.7-27.4177.957.20000112.5R734 N755 G783R734-S757 PolarHBondContact O-N 3.32Å; R734-S757 PolarHBondContact O-OG 3.36Å; R734-S757 VanDerWaalsContact O-OG 3.12Å; N755-S757 PolarHBondContact O-N 3.11Å; S757-G783 WeakPolarHBondContact O-CA 3.29Å
758Q96.8Very high95Very high79 Ų7956.1 Ų56.137%0.36928%0.283SS..EExtended strand (participates in β ladder)trans-141.1132.4-177.2-177.1176.1-3.600111.1R734 T735 L736 G783R734-Q758 PolarHBondContact O-N 3.33Å; T735-Q758 WeakPolarHBondContact CA-O 3.24Å; T735-Q758 HydrophobicContact CG2-CB 4.13Å; T735-Q758 HydrophobicContact CG2-CG 4.16Å; L736-Q758 PolarHBondContact N-O 2.99Å; Q758-G783 CarbonylContact C-O 3.33Å; Q758-G783 WeakPolarHBondContact CA-O 3.46Å
759I97.4Very high95.1Very high0 Ų053.2 Ų53.20%026%0.262CS..EExtended strand (participates in β ladder)trans-138.5126.6173.2-169.4174.1000110.1L736 L746 V750 L756 L761 L779 G783 L784 V785L736-I759 HydrophobicContact CB-CG1 4.23Å; L736-I759 HydrophobicContact CD2-CD1 4.21Å; L736-I759 HydrophobicContact CD2-CG1 4.49Å; L736-I759 HydrophobicContact CG-CG1 4.39Å; L736-I759 VanDerWaalsContact O-CA 3.3Å; L736-I759 WeakPolarHBondContact O-CA 3.25Å; L746-I759 HydrophobicContact CD1-CD1 4.36Å; L746-I759 HydrophobicContact CD2-CD1 3.98Å; V750-I759 HydrophobicContact CG2-CD1 4.12Å; L756-I759 HydrophobicContact CD2-CB 4.2Å; L756-I759 HydrophobicContact CD2-CD1 4.32Å; I759-L761 HydrophobicContact CD1-CD1 4.34Å; I759-L761 HydrophobicContact CD1-CD2 3.97Å; I759-L761 HydrophobicContact CD1-CG 4.27Å; I759-L761 HydrophobicContact CG1-CD2 4.02Å; I759-L761 HydrophobicContact CG1-CG 4.09Å; I759-L779 HydrophobicContact CG2-CD1 4.02Å; I759-L779 HydrophobicContact CG2-CD2 4.28Å; I759-G783 PolarHBondContact N-O 3.48Å; I759-G783 VanDerWaalsContact O-O 3.13Å; I759-L784 HydrophobicContact CG2-CD1 3.45Å; I759-L784 VanDerWaalsContact CG2-CD1 3.45Å; I759-V785 PolarHBondContact O-N 3.11Å
760E97.2Very high95.1Very high53 Ų5348.6 Ų48.625%0.24825%0.247CC..EExtended strand (participates in β ladder)trans-109.5118.3177.3-179.5-177.3-156.100110.3L736 N737 L738 G739 V785L736-E760 PolarHBondContact O-N 3.47Å; N737-E760 HydrophobicContact CB-CB 4.39Å; L738-E760 CarbonylContact C-O 3.33Å; L738-E760 WeakPolarHBondContact CA-O 3.23Å; L738-E760 VanDerWaalsContact CB-O 3.31Å; L738-E760 WeakPolarHBondContact CB-O 3.41Å; L738-E760 PolarHBondContact N-O 3.16Å; G739-E760 PolarHBondContact N-O 3.27Å; E760-V785 WeakPolarHBondContact CA-O 3.44Å; E760-V785 HydrophobicContact CB-CB 4.19Å; E760-V785 HydrophobicContact CG-CB 4.18Å; E760-V785 HydrophobicContact CG-CG1 4.09Å
761L96.6Very high95Very high0 Ų052.3 Ų52.30%027%0.269CS..  trans-119.1-5.7-175.6-62174.4000113.5L738 L746 I759 N764 L766 L769 L784 V785 V786L738-L761 HydrophobicContact CB-CD2 4.26Å; L738-L761 HydrophobicContact CD1-CD2 3.72Å; L746-L761 HydrophobicContact CD1-CD2 4.35Å; L746-L761 HydrophobicContact CD2-CD1 3.93Å; L746-L761 HydrophobicContact CD2-CD2 4.39Å; I759-L761 HydrophobicContact CD1-CD1 4.34Å; I759-L761 HydrophobicContact CD1-CD2 3.97Å; I759-L761 HydrophobicContact CD1-CG 4.27Å; I759-L761 HydrophobicContact CG1-CD2 4.02Å; I759-L761 HydrophobicContact CG1-CG 4.09Å; L761-N764 WeakPolarHBondContact O-CB 3.35Å; L761-N764 PolarHBondContact O-N 3.31Å; L761-N764 PolarHBondContact O-ND2 2.91Å; L761-L766 HydrophobicContact CB-CD1 3.94Å; L761-L766 HydrophobicContact CD1-CD1 4.11Å; L761-L766 HydrophobicContact CD2-CD1 4.33Å; L761-L766 HydrophobicContact CG-CD1 4.35Å; L761-L769 HydrophobicContact CD1-CD2 3.63Å; L761-L784 HydrophobicContact CD1-CD1 4.32Å; L761-V785 PolarHBondContact N-O 3.43Å; L761-V786 HydrophobicContact CB-CB 4.35Å; L761-V786 HydrophobicContact CB-CG2 4.1Å
762R95.4Very high95.2Very high117 Ų11754.8 Ų54.844%0.44228%0.281SS..THydrogen-bonded Turntrans-54.5143.5-175.7-78.5-174.2174.7-118.1-9.7113.4G739 N740 N764 V785 V786 E787G739-R762 CarbonylContact C-O 3.22Å; G739-R762 VanDerWaalsContact C-O 3.32Å; G739-R762 WeakPolarHBondContact CA-O 3.48Å; N740-R762 PolarHBondContact N-O 3.49Å; R762-N764 VanDerWaalsContact C-N 3.32Å; R762-V785 HydrophobicContact CG-CG1 4.16Å; R762-V785 PolarHBondContact N-O 2.87Å; R762-V786 PolarHBondContact NE-O 2.65Å; R762-V786 PolarHBondContact NH2-O 3.13Å; R762-E787 WeakPolarHBondContact CA-OE1 3.18Å
763G94.5Very high95.1Very high33 Ų3351.6 Ų51.634%0.3427%0.265SS..THydrogen-bonded Turntrans72.525.3177.100000113.5N740 N741 E787N740-G763 VanDerWaalsContact CA-O 3.29Å; N740-G763 WeakPolarHBondContact CA-O 3.3Å; N741-G763 PolarHBondContact N-O 2.04Å; N741-G763 VanDerWaalsContact O-O 3.08Å; G763-E787 PolarHBondContact N-OE1 2.95Å
764N96.9Very high94.8Very high21 Ų2152 Ų5211%0.11227%0.27CS..SBendtrans-98.7-176.7167.3-80-76.6000111.1L738 N741 V742 L743 L761 R762 L766L738-N764 PolarHBondContact O-ND2 3.4Å; N741-N764 WeakPolarHBondContact CA-OD1 3.25Å; N741-N764 WeakPolarHBondContact CB-OD1 3.48Å; N741-N764 PolarHBondContact N-OD1 3.39Å; N741-N764 PolarHBondContact O-OD1 2.92Å; V742-N764 PolarHBondContact N-OD1 3.24Å; L743-N764 HydrophobicContact CB-CB 4.21Å; L743-N764 VanDerWaalsContact CB-OD1 3.3Å; L743-N764 WeakPolarHBondContact CB-OD1 3.26Å; L743-N764 WeakPolarHBondContact CG-OD1 3.45Å; L743-N764 PolarHBondContact N-OD1 3.12Å; L743-N764 VanDerWaalsContact N-OD1 3.1Å; L761-N764 WeakPolarHBondContact O-CB 3.35Å; L761-N764 PolarHBondContact O-N 3.31Å; L761-N764 PolarHBondContact O-ND2 2.91Å; R762-N764 VanDerWaalsContact C-N 3.32Å; N764-L766 HydrophobicContact CB-CD1 4.3Å; N764-L766 HydrophobicContact CB-CG 3.96Å
765R95.3Very high94.8Very high172 Ų17254.3 Ų54.365%0.64928%0.276SS*.  trans-111.738.9177.6-59.6179-175167.41.4111L743L743-R765 CarbonylContact O-C 3.48Å; L743-R765 WeakPolarHBondContact O-CA 3.4Å; L743-R765 PolarHBondContact O-N 3.3Å
766L95.5Very high94.6Very high16 Ų1651.5 Ų51.58%0.08426%0.261CS..  trans-70.6136.3179.6-61.3171.7000109.1L743 S745 L761 N764 L769 L790L743-L766 HydrophobicContact CB-CD2 4.08Å; L743-L766 PolarHBondContact O-N 2.91Å; S745-L766 VanDerWaalsContact C-CD2 3.49Å; L761-L766 HydrophobicContact CB-CD1 3.94Å; L761-L766 HydrophobicContact CD1-CD1 4.11Å; L761-L766 HydrophobicContact CD2-CD1 4.33Å; L761-L766 HydrophobicContact CG-CD1 4.35Å; N764-L766 HydrophobicContact CB-CD1 4.3Å; N764-L766 HydrophobicContact CB-CG 3.96Å; L766-L769 HydrophobicContact CD1-CD2 4.19Å; L766-L790 HydrophobicContact CB-CD1 3.93Å; L766-L790 HydrophobicContact CB-CD2 3.96Å; L766-L790 WeakPolarHBondContact O-CD2 3.2Å
767E92.3Very high94.3Very high174 Ų17454.8 Ų54.881%0.81328%0.282SS*.SBendtrans-89.3-36.8172.4-67.1-175.6172.900111.9
768C92.9Very high94.2Very high77 Ų7756.8 Ų56.852%0.5229%0.289SS..  trans-148.6164.1179.562.60000111.3
769L95Very high94Very high8 Ų853.2 Ų53.24%0.04227%0.272CS..  trans-100.9140.2172.8-64.5178.6000111.1L761 L766 L773 V786 L790 T793 L794L761-L769 HydrophobicContact CD1-CD2 3.63Å; L766-L769 HydrophobicContact CD1-CD2 4.19Å; L769-L773 HydrophobicContact CB-CD1 4.12Å; L769-L773 HydrophobicContact CD1-CD1 4.45Å; L769-L773 HydrophobicContact CD2-CD1 4.48Å; L769-V786 HydrophobicContact CD1-CG1 4.06Å; L769-V786 HydrophobicContact CD1-CG2 4.2Å; L769-V786 HydrophobicContact CD2-CG2 4.29Å; L769-L790 HydrophobicContact CD1-CB 4.42Å; L769-L790 WeakPolarHBondContact CD1-O 3.37Å; L769-L790 HydrophobicContact CG-CB 4.36Å; L769-T793 PolarHBondContact N-OG1 3.36Å; L769-T793 VanDerWaalsContact N-OG1 3.16Å; L769-L794 HydrophobicContact CB-CD2 3.73Å; L769-L794 HydrophobicContact CB-CG 3.95Å; L769-L794 HydrophobicContact CD1-CD1 4Å; L769-L794 HydrophobicContact CD1-CG 4.14Å
770P94.3Very high93.7Very high17 Ų1755.2 Ų55.211%0.1128%0.281CS..  trans-66.7137.8176.125.6-32.1000111.1L746 V750 E772 L773 L794L746-P770 HydrophobicContact CB-CG 4.02Å; L746-P770 HydrophobicContact CD2-CG 3.83Å; L746-P770 HydrophobicContact CG-CG 3.97Å; V750-P770 HydrophobicContact CG1-CG 3.8Å; P770-E772 WeakPolarHBondContact CB-OE2 3.4Å; P770-E772 PolarHBondContact O-N 3.48Å; P770-L773 HydrophobicContact CG-CD1 4.39Å; P770-L773 HydrophobicContact CG-CG 4.2Å; P770-L773 PolarHBondContact O-N 3.37Å; P770-L794 WeakPolarHBondContact O-CD2 3.48Å
771V93Very high93.5Very high77 Ų7755 Ų5547%0.46728%0.278SS..G310 helixtrans-64.8-24.6179.4-58.10000111.9L773 G774 P795V771-L773 PolarHBondContact O-N 2.73Å; V771-L773 VanDerWaalsContact O-N 3.13Å; V771-G774 PolarHBondContact O-N 3.34Å; V771-P795 HydrophobicContact CB-CG 4.2Å; V771-P795 HydrophobicContact CG1-CG 3.55Å
772E94.8Very high93.2Very high55 Ų5558.8 Ų58.826%0.25730%0.304SS..G310 helixtrans-63.6-13.6178.4-62.384.7169.900112.9S748 G751 P770 G774 E775S748-E772 VanDerWaalsContact CB-OE1 3.28Å; S748-E772 WeakPolarHBondContact CB-OE1 3.38Å; S748-E772 WeakPolarHBondContact O-CB 3.47Å; G751-E772 WeakPolarHBondContact CA-O 3.06Å; P770-E772 WeakPolarHBondContact CB-OE2 3.4Å; P770-E772 PolarHBondContact O-N 3.48Å; E772-G774 PolarHBondContact O-N 2.81Å; E772-E775 VanDerWaalsContact O-CB 3.27Å; E772-E775 WeakPolarHBondContact O-CB 3.46Å; E772-E775 PolarHBondContact O-N 3.11Å
773L93.1Very high93Very high0 Ų053.5 Ų53.50%029%0.287CS..G310 helixtrans-57.7-26.7166.8-73.4171.5000112.3L746 V750 L769 P770 V771 E775 C776 L779 L784 L794L746-L773 HydrophobicContact CD2-CD1 4.3Å; L746-L773 HydrophobicContact CD2-CD2 4.1Å; L746-L773 HydrophobicContact CD2-CG 4.46Å; V750-L773 HydrophobicContact CB-CD2 4.43Å; V750-L773 HydrophobicContact CG1-CD2 3.69Å; V750-L773 HydrophobicContact CG1-CG 4.05Å; V750-L773 HydrophobicContact CG2-CD2 3.84Å; L769-L773 HydrophobicContact CB-CD1 4.12Å; L769-L773 HydrophobicContact CD1-CD1 4.45Å; L769-L773 HydrophobicContact CD2-CD1 4.48Å; P770-L773 HydrophobicContact CG-CD1 4.39Å; P770-L773 HydrophobicContact CG-CG 4.2Å; P770-L773 PolarHBondContact O-N 3.37Å; V771-L773 PolarHBondContact O-N 2.73Å; V771-L773 VanDerWaalsContact O-N 3.13Å; L773-E775 PolarHBondContact O-N 2.81Å; L773-C776 PolarHBondContact O-N 3.02Å; L773-L779 HydrophobicContact CB-CD2 4.4Å; L773-L779 HydrophobicContact CD2-CD2 4Å; L773-L784 HydrophobicContact CD1-CD1 4.4Å; L773-L794 HydrophobicContact CD1-CD2 4.49Å
774G89.2Confident93Very high10 Ų1052 Ų5210%0.10327%0.271CS..G310 helixtrans-68.9-14.217300000114.3V771 E772 R801V771-G774 PolarHBondContact O-N 3.34Å; E772-G774 PolarHBondContact O-N 2.81Å; G774-R801 PolarHBondContact O-NH1 3.3Å
775E91.9Very high93Very high121 Ų12153 Ų5357%0.56528%0.277SS*.G310 helixtrans-82.1-15.3175.7-58-173.6161.600112.6E772 L773 P777E772-E775 VanDerWaalsContact O-CB 3.27Å; E772-E775 WeakPolarHBondContact O-CB 3.46Å; E772-E775 PolarHBondContact O-N 3.11Å; L773-E775 PolarHBondContact O-N 2.81Å; E775-P777 WeakPolarHBondContact O-CD 3.45Å
776C93.2Very high93Very high3 Ų344.8 Ų44.82%0.0225%0.247CC..  trans-77.1105.6174.2-63.40000110.4V750 L773 L778 L779V750-C776 PolarHBondContact O-SG 2.94Å; L773-C776 PolarHBondContact O-N 3.02Å; C776-L778 VanDerWaalsContact C-N 3.34Å; C776-L778 PolarHBondContact O-N 3.37Å; C776-L779 HydrophobicContact CB-CB 3.69Å; C776-L779 HydrophobicContact CB-CD2 4.34Å; C776-L779 PolarHBondContact O-N 2.84Å
777P89.4Confident93Very high70 Ų7046.8 Ų46.846%0.45526%0.255SS..THydrogen-bonded Turntrans-72.6-25.4-172.230.4-35.9000113.7T754 E775T754-P777 VanDerWaalsContact O-CD 3.32Å; T754-P777 WeakPolarHBondContact O-CD 3.38Å; T754-P777 WeakPolarHBondContact O-CG 3.02Å; E775-P777 WeakPolarHBondContact O-CD 3.45Å
778L92.9Very high93Very high90 Ų9042.6 Ų42.647%0.47124%0.236SC..THydrogen-bonded Turntrans-92.5-8.2-179.1-59.7-177000113.2L756 C776L756-L778 CarbonylContact O-C 3.32Å; C776-L778 VanDerWaalsContact C-N 3.34Å; C776-L778 PolarHBondContact O-N 3.37Å
779L93.1Very high92.9Very high4 Ų445.2 Ų45.22%0.02125%0.245CC..  trans-77.4131.1179.6-174.663.1000109L756 I759 L773 C776 L784 L802L756-L779 PolarHBondContact O-N 3.24Å; L756-L779 VanDerWaalsContact O-N 3.17Å; I759-L779 HydrophobicContact CG2-CD1 4.02Å; I759-L779 HydrophobicContact CG2-CD2 4.28Å; L773-L779 HydrophobicContact CB-CD2 4.4Å; L773-L779 HydrophobicContact CD2-CD2 4Å; C776-L779 HydrophobicContact CB-CB 3.69Å; C776-L779 HydrophobicContact CB-CD2 4.34Å; C776-L779 PolarHBondContact O-N 2.84Å; L779-L784 HydrophobicContact CD1-CB 4.37Å; L779-L802 HydrophobicContact CB-CD2 4.33Å; L779-L802 HydrophobicContact CD2-CD2 4.45Å; L779-L802 HydrophobicContact CG-CD2 4.07Å; L779-L802 WeakPolarHBondContact O-CD2 3.34Å
780K91.4Very high92.8Very high41 Ų4145.7 Ų45.718%0.17825%0.247CC..  trans-119.9168.6178.9-53.4-172177.3-155.40110.9S782 G783 L784 A805 D806K780-S782 PolarHBondContact O-N 3.47Å; K780-G783 PolarHBondContact O-N 3.29Å; K780-L784 PolarHBondContact O-N 2.96Å; K780-A805 HydrophobicContact CD-CB 4.45Å; K780-A805 WeakPolarHBondContact CE-O 3Å; K780-A805 HydrophobicContact CG-CB 4Å; K780-A805 PolarHBondContact NZ-O 3.46Å; K780-D806 VanDerWaalsContact CB-OD1 3.29Å; K780-D806 WeakPolarHBondContact CB-OD1 3.48Å; K780-D806 VanDerWaalsContact CD-OD1 3.3Å; K780-D806 WeakPolarHBondContact CD-OD1 3.5Å
781R92Very high92.8Very high48 Ų4845.1 Ų45.118%0.18124%0.243CC..THydrogen-bonded Turntrans-62-34.9174.1173.563.1176.781.10.1111.9G783 E788 F791 L802 D806R781-G783 VanDerWaalsContact C-N 3.31Å; R781-E788 VanDerWaalsContact NH2-CD 3.28Å; R781-E788 IonicContact NH2-OE1 2.86Å; R781-E788 PolarHBondContact NH2-OE1 3.22Å; R781-E788 IonicContact NH2-OE2 3.12Å; R781-E788 PolarHBondContact NH2-OE2 3.01Å; R781-F791 VanDerWaalsContact CD-CE2 3.45Å; R781-F791 VanDerWaalsContact CD-CZ 3.48Å; R781-L802 HydrophobicContact CB-CB 4.21Å; R781-L802 PolarHBondContact N-O 3.24Å; R781-L802 VanDerWaalsContact N-O 3.11Å; R781-D806 WeakPolarHBondContact CA-OD2 3.43Å; R781-D806 WeakPolarHBondContact CB-OD2 3.12Å; R781-D806 PolarHBondContact N-OD2 2.82Å
782S90.7Very high92.7Very high80 Ų8045.6 Ų45.656%0.55924%0.243SC*.THydrogen-bonded Turntrans-64.5-32.3172.158.60000113.5K780 D806K780-S782 PolarHBondContact O-N 3.47Å; S782-D806 WeakPolarHBondContact CB-OD1 3.45Å; S782-D806 PolarHBondContact N-OD2 3.49Å; S782-D806 PolarHBondContact OG-OD1 2.87Å
783G91.8Very high92.7Very high7 Ų746.1 Ų46.17%0.07225%0.25CS..THydrogen-bonded Turntrans-84.6-22.4178.600000114.6S757 Q758 I759 K780 R781 V785S757-G783 WeakPolarHBondContact O-CA 3.29Å; Q758-G783 CarbonylContact C-O 3.33Å; Q758-G783 WeakPolarHBondContact CA-O 3.46Å; I759-G783 PolarHBondContact N-O 3.48Å; I759-G783 VanDerWaalsContact O-O 3.13Å; K780-G783 PolarHBondContact O-N 3.29Å; R781-G783 VanDerWaalsContact C-N 3.31Å; G783-V785 PolarHBondContact O-N 3.4Å
784L95.3Very high92.6Very high0 Ų046.3 Ų46.30%025%0.251CS..EExtended strand (participates in β ladder)trans-88.493.1175.7178.657.5000110.4I759 L761 L773 L779 K780 V786 F791 L794 L802I759-L784 HydrophobicContact CG2-CD1 3.45Å; I759-L784 VanDerWaalsContact CG2-CD1 3.45Å; L761-L784 HydrophobicContact CD1-CD1 4.32Å; L773-L784 HydrophobicContact CD1-CD1 4.4Å; L779-L784 HydrophobicContact CD1-CB 4.37Å; K780-L784 PolarHBondContact O-N 2.96Å; L784-V786 HydrophobicContact CD1-CG1 4.28Å; L784-V786 HydrophobicContact CD2-CG1 4.49Å; L784-V786 HydrophobicContact CG-CG1 3.99Å; L784-V786 PolarHBondContact O-N 3.49Å; L784-F791 HydrophobicContact CD2-CD2 3.77Å; L784-F791 HydrophobicContact CD2-CE2 3.93Å; L784-L794 HydrophobicContact CD2-CD1 4.01Å; L784-L802 HydrophobicContact CD2-CD1 3.9Å
785V96Very high92.8Very high42 Ų4248.2 Ų48.226%0.25526%0.261SS..EExtended strand (participates in β ladder)trans-93.495-178.7-175.10000109.7I759 E760 L761 R762 G783I759-V785 PolarHBondContact O-N 3.11Å; E760-V785 WeakPolarHBondContact CA-O 3.44Å; E760-V785 HydrophobicContact CB-CB 4.19Å; E760-V785 HydrophobicContact CG-CB 4.18Å; E760-V785 HydrophobicContact CG-CG1 4.09Å; L761-V785 PolarHBondContact N-O 3.43Å; R762-V785 HydrophobicContact CG-CG1 4.16Å; R762-V785 PolarHBondContact N-O 2.87Å; G783-V785 PolarHBondContact O-N 3.4Å
786V95.8Very high92.7Very high1 Ų148.4 Ų48.41%0.00627%0.266CS..  trans-140.7168.1-178.767.90000110.3L761 R762 L769 L784 L790 F791L761-V786 HydrophobicContact CB-CB 4.35Å; L761-V786 HydrophobicContact CB-CG2 4.1Å; R762-V786 PolarHBondContact NE-O 2.65Å; R762-V786 PolarHBondContact NH2-O 3.13Å; L769-V786 HydrophobicContact CD1-CG1 4.06Å; L769-V786 HydrophobicContact CD1-CG2 4.2Å; L769-V786 HydrophobicContact CD2-CG2 4.29Å; L784-V786 HydrophobicContact CD1-CG1 4.28Å; L784-V786 HydrophobicContact CD2-CG1 4.49Å; L784-V786 HydrophobicContact CG-CG1 3.99Å; L784-V786 PolarHBondContact O-N 3.49Å; V786-L790 HydrophobicContact CG2-CB 3.67Å; V786-L790 HydrophobicContact CG2-CD1 3.93Å; V786-L790 HydrophobicContact CG2-CG 4.46Å; V786-F791 HydrophobicContact CG1-CB 3.91Å; V786-F791 HydrophobicContact CG1-CD2 4.46Å
787E94.4Very high92.5Very high57 Ų5756.2 Ų56.227%0.26630%0.302SS..  trans-62.4145.1167.5-65.779.8-178.800111.1R762 G763 D789 L790 F791R762-E787 WeakPolarHBondContact CA-OE1 3.18Å; G763-E787 PolarHBondContact N-OE1 2.95Å; E787-D789 VanDerWaalsContact C-N 3.31Å; E787-D789 PolarHBondContact O-N 3.36Å; E787-L790 HydrophobicContact CB-CB 4.45Å; E787-L790 HydrophobicContact CB-CD1 4.34Å; E787-L790 PolarHBondContact O-N 2.94Å; E787-F791 PolarHBondContact O-N 3.03Å
788E92Very high92.5Very high86 Ų8653.8 Ų53.840%0.40229%0.286SS..Hα-helixtrans-64.9-37.1-175.2-152.166.5-153.600112.1R781 L790 F791 N792R781-E788 VanDerWaalsContact NH2-CD 3.28Å; R781-E788 IonicContact NH2-OE1 2.86Å; R781-E788 PolarHBondContact NH2-OE1 3.22Å; R781-E788 IonicContact NH2-OE2 3.12Å; R781-E788 PolarHBondContact NH2-OE2 3.01Å; E788-L790 VanDerWaalsContact C-N 3.29Å; E788-L790 PolarHBondContact O-N 3.21Å; E788-F791 WeakPolarHBondContact O-CB 2.79Å; E788-F791 PolarHBondContact O-N 3.47Å; E788-N792 VanDerWaalsContact O-CG 3.28Å; E788-N792 PolarHBondContact O-N 3.34Å; E788-N792 PolarHBondContact O-ND2 3.45Å; E788-N792 VanDerWaalsContact O-ND2 3.1Å
789D92.4Very high92.5Very high133 Ų13351.5 Ų51.571%0.71127%0.272SS*.Hα-helixtrans-62-39.8178.9-55.6-26.4000111.3E787 N792E787-D789 VanDerWaalsContact C-N 3.31Å; E787-D789 PolarHBondContact O-N 3.36Å; D789-N792 PolarHBondContact O-N 2.72Å
790L92.6Very high92.2Very high18 Ų1855.7 Ų55.79%0.09429%0.292CS..Hα-helixtrans-70.4-41.9174.8-84.5168.5000112L766 L769 V786 E787 E788 N792 T793L766-L790 HydrophobicContact CB-CD1 3.93Å; L766-L790 HydrophobicContact CB-CD2 3.96Å; L766-L790 WeakPolarHBondContact O-CD2 3.2Å; L769-L790 HydrophobicContact CD1-CB 4.42Å; L769-L790 WeakPolarHBondContact CD1-O 3.37Å; L769-L790 HydrophobicContact CG-CB 4.36Å; V786-L790 HydrophobicContact CG2-CB 3.67Å; V786-L790 HydrophobicContact CG2-CD1 3.93Å; V786-L790 HydrophobicContact CG2-CG 4.46Å; E787-L790 HydrophobicContact CB-CB 4.45Å; E787-L790 HydrophobicContact CB-CD1 4.34Å; E787-L790 PolarHBondContact O-N 2.94Å; E788-L790 VanDerWaalsContact C-N 3.29Å; E788-L790 PolarHBondContact O-N 3.21Å; L790-N792 PolarHBondContact O-N 2.82Å; L790-T793 WeakPolarHBondContact O-CB 3.23Å; L790-T793 PolarHBondContact O-N 3.26Å; L790-T793 VanDerWaalsContact O-N 3.11Å; L790-T793 PolarHBondContact O-OG1 2.95Å
791F93.4Very high92Very high5 Ų560 Ų602%0.02231%0.307CS..Hα-helixtrans-56.9-38.1173.7-177.9-102.6000111.6R781 L784 V786 E787 E788 T793 L794 K799 L802R781-F791 VanDerWaalsContact CD-CE2 3.45Å; R781-F791 VanDerWaalsContact CD-CZ 3.48Å; L784-F791 HydrophobicContact CD2-CD2 3.77Å; L784-F791 HydrophobicContact CD2-CE2 3.93Å; V786-F791 HydrophobicContact CG1-CB 3.91Å; V786-F791 HydrophobicContact CG1-CD2 4.46Å; E787-F791 PolarHBondContact O-N 3.03Å; E788-F791 WeakPolarHBondContact O-CB 2.79Å; E788-F791 PolarHBondContact O-N 3.47Å; F791-T793 PolarHBondContact O-N 3.4Å; F791-L794 HydrophobicContact CD2-CD1 4.11Å; F791-L794 HydrophobicContact CE2-CD1 4.19Å; F791-L794 WeakPolarHBondContact O-CB 3.37Å; F791-L794 PolarHBondContact O-N 3.35Å; F791-K799 HydrophobicContact CD1-CD 4.19Å; F791-K799 HydrophobicContact CE1-CB 4.25Å; F791-K799 HydrophobicContact CE1-CD 3.79Å; F791-K799 HydrophobicContact CE1-CG 3.83Å; F791-K799 HydrophobicContact CE2-CG 4.4Å; F791-K799 HydrophobicContact CZ-CB 4.03Å; F791-K799 HydrophobicContact CZ-CD 4.23Å; F791-K799 HydrophobicContact CZ-CG 3.73Å; F791-L802 HydrophobicContact CE2-CD1 3.91Å
792N92.1Very high91.8Very high86 Ų8658 Ų5846%0.4630%0.3SS..Hα-helixtrans-65.6-21.7179.7-74.1-37.5000114.2E788 D789 L790 L794 K799E788-N792 VanDerWaalsContact O-CG 3.28Å; E788-N792 PolarHBondContact O-N 3.34Å; E788-N792 PolarHBondContact O-ND2 3.45Å; E788-N792 VanDerWaalsContact O-ND2 3.1Å; D789-N792 PolarHBondContact O-N 2.72Å; L790-N792 PolarHBondContact O-N 2.82Å; N792-L794 PolarHBondContact O-N 2.78Å; N792-K799 PolarHBondContact O-NZ 2.81Å
793T93.2Very high91.6Very high67 Ų6760.7 Ų60.741%0.41130%0.298SS..THydrogen-bonded Turntrans-67.4-19.3175.5700000113.6L769 L790 F791L769-T793 PolarHBondContact N-OG1 3.36Å; L769-T793 VanDerWaalsContact N-OG1 3.16Å; L790-T793 WeakPolarHBondContact O-CB 3.23Å; L790-T793 PolarHBondContact O-N 3.26Å; L790-T793 VanDerWaalsContact O-N 3.11Å; L790-T793 PolarHBondContact O-OG1 2.95Å; F791-T793 PolarHBondContact O-N 3.4Å
794L92.9Very high91.2Very high4 Ų467.5 Ų67.52%0.02132%0.321CS..SBendtrans-69.7146.1176.6-70.2170.4000111.8L769 P770 L773 L784 F791 N792 V798 K799 L802L769-L794 HydrophobicContact CB-CD2 3.73Å; L769-L794 HydrophobicContact CB-CG 3.95Å; L769-L794 HydrophobicContact CD1-CD1 4Å; L769-L794 HydrophobicContact CD1-CG 4.14Å; P770-L794 WeakPolarHBondContact O-CD2 3.48Å; L773-L794 HydrophobicContact CD1-CD2 4.49Å; L784-L794 HydrophobicContact CD2-CD1 4.01Å; F791-L794 HydrophobicContact CD2-CD1 4.11Å; F791-L794 HydrophobicContact CE2-CD1 4.19Å; F791-L794 WeakPolarHBondContact O-CB 3.37Å; F791-L794 PolarHBondContact O-N 3.35Å; N792-L794 PolarHBondContact O-N 2.78Å; L794-V798 HydrophobicContact CD1-CG1 4.42Å; L794-K799 HydrophobicContact CB-CD 4.36Å; L794-K799 HydrophobicContact CB-CG 3.88Å; L794-K799 WeakPolarHBondContact O-CE 3.39Å; L794-K799 PolarHBondContact O-NZ 2.79Å; L794-L802 HydrophobicContact CD1-CD1 4.32Å
795P92.6Very high90.4Very high49 Ų4968.7 Ų68.732%0.31833%0.331SS..  trans-55.8149.6173.6-24.132.8000112.4V771 E797 V798 K799V771-P795 HydrophobicContact CB-CG 4.2Å; V771-P795 HydrophobicContact CG1-CG 3.55Å; P795-E797 VanDerWaalsContact C-N 3.26Å; P795-E797 PolarHBondContact O-N 2.84Å; P795-V798 HydrophobicContact CB-CG2 4.33Å; P795-V798 HydrophobicContact CG-CG2 4.39Å; P795-V798 PolarHBondContact O-N 2.92Å; P795-V798 VanDerWaalsContact O-N 3.13Å; P795-K799 PolarHBondContact O-N 2.69Å; P795-K799 VanDerWaalsContact O-N 3.09Å
796L89.9Confident89.5Confident126 Ų12669 Ų6966%0.6633%0.331SS*.Hα-helixtrans-57.7-39.6-176.7-155.2112.7000112.3V798 K799 E800L796-V798 PolarHBondContact O-N 2.83Å; L796-K799 PolarHBondContact O-N 3.26Å; L796-E800 PolarHBondContact O-N 3.49Å
797E89.6Confident88.4Confident166 Ų16676 Ų7678%0.77636%0.361SS*.Hα-helixtrans-58.7-43.7177.6-64.7161.9-172.400112.4P795 R801P795-E797 VanDerWaalsContact C-N 3.26Å; P795-E797 PolarHBondContact O-N 2.84Å; E797-R801 PolarHBondContact O-N 2.95Å; E797-R801 VanDerWaalsContact O-N 3.13Å
798V89.5Confident87.2Confident20 Ų2081.5 Ų81.512%0.12139%0.387CS..Hα-helixtrans-69.5-43.4179178.60000110.4L794 P795 L796 E800 R801 L802L794-V798 HydrophobicContact CD1-CG1 4.42Å; P795-V798 HydrophobicContact CB-CG2 4.33Å; P795-V798 HydrophobicContact CG-CG2 4.39Å; P795-V798 PolarHBondContact O-N 2.92Å; P795-V798 VanDerWaalsContact O-N 3.13Å; L796-V798 PolarHBondContact O-N 2.83Å; V798-E800 PolarHBondContact O-N 2.93Å; V798-R801 PolarHBondContact O-N 3.16Å; V798-L802 HydrophobicContact CG1-CD1 4.12Å; V798-L802 HydrophobicContact CG1-CG 4.48Å; V798-L802 WeakPolarHBondContact O-CG 3.42Å; V798-L802 PolarHBondContact O-N 3.42Å
799K90.9Very high85.3Confident42 Ų4284.9 Ų84.918%0.18340%0.403CS..Hα-helixtrans-60.9-44.5178.2-68.8-172.8-67.1-159.10111.9F791 N792 L794 P795 L796 L802 W803F791-K799 HydrophobicContact CD1-CD 4.19Å; F791-K799 HydrophobicContact CE1-CB 4.25Å; F791-K799 HydrophobicContact CE1-CD 3.79Å; F791-K799 HydrophobicContact CE1-CG 3.83Å; F791-K799 HydrophobicContact CE2-CG 4.4Å; F791-K799 HydrophobicContact CZ-CB 4.03Å; F791-K799 HydrophobicContact CZ-CD 4.23Å; F791-K799 HydrophobicContact CZ-CG 3.73Å; N792-K799 PolarHBondContact O-NZ 2.81Å; L794-K799 HydrophobicContact CB-CD 4.36Å; L794-K799 HydrophobicContact CB-CG 3.88Å; L794-K799 WeakPolarHBondContact O-CE 3.39Å; L794-K799 PolarHBondContact O-NZ 2.79Å; P795-K799 PolarHBondContact O-N 2.69Å; P795-K799 VanDerWaalsContact O-N 3.09Å; L796-K799 PolarHBondContact O-N 3.26Å; K799-L802 PolarHBondContact O-N 3.33Å; K799-W803 PolarHBondContact O-N 3.38Å; K799-W803 VanDerWaalsContact O-N 3.11Å
800E88.1Confident83.1Confident92 Ų9285.4 Ų85.443%0.4343%0.426SS..Hα-helixtrans-63.4-42.4176.6-77.3-148.5169.800112.4L796 V798 L802 W803 R804L796-E800 PolarHBondContact O-N 3.49Å; V798-E800 PolarHBondContact O-N 2.93Å; E800-L802 PolarHBondContact O-N 2.01Å; E800-W803 PolarHBondContact O-N 2.85Å; E800-R804 WeakPolarHBondContact O-CG 3.39Å; E800-R804 PolarHBondContact O-N 3.15Å; E800-R804 IonicContact OE2-CZ 2.56Å; E800-R804 IonicContact OE2-NE 3.59Å; E800-R804 IonicContact OE2-NH2 3.36Å; E800-R804 PolarHBondContact OE2-NH2 3.15Å
801R87.8Confident82.6Confident132 Ų13288.8 Ų88.850%0.49844%0.443SS..Hα-helixtrans-59.4-46.6177.7-174.1-178.9179.3174.13.4111.5G774 E797 V798 W803 R804 A805G774-R801 PolarHBondContact O-NH1 3.3Å; E797-R801 PolarHBondContact O-N 2.95Å; E797-R801 VanDerWaalsContact O-N 3.13Å; V798-R801 PolarHBondContact O-N 3.16Å; R801-W803 VanDerWaalsContact C-N 3.3Å; R801-W803 PolarHBondContact O-N 3.28Å; R801-R804 PolarHBondContact O-N 3.33Å; R801-A805 WeakPolarHBondContact O-CB 2.98Å; R801-A805 PolarHBondContact O-N 3.11Å; R801-A805 VanDerWaalsContact O-N 3.08Å
802L87.7Confident82Confident5 Ų593.2 Ų93.23%0.02647%0.465CS..Hα-helixtrans-62-36.8178.3-69.5173.4000112.3L779 R781 L784 F791 L794 V798 K799 E800L779-L802 HydrophobicContact CB-CD2 4.33Å; L779-L802 HydrophobicContact CD2-CD2 4.45Å; L779-L802 HydrophobicContact CG-CD2 4.07Å; L779-L802 WeakPolarHBondContact O-CD2 3.34Å; R781-L802 HydrophobicContact CB-CB 4.21Å; R781-L802 PolarHBondContact N-O 3.24Å; R781-L802 VanDerWaalsContact N-O 3.11Å; L784-L802 HydrophobicContact CD2-CD1 3.9Å; F791-L802 HydrophobicContact CE2-CD1 3.91Å; L794-L802 HydrophobicContact CD1-CD1 4.32Å; V798-L802 HydrophobicContact CG1-CD1 4.12Å; V798-L802 HydrophobicContact CG1-CG 4.48Å; V798-L802 WeakPolarHBondContact O-CG 3.42Å; V798-L802 PolarHBondContact O-N 3.42Å; K799-L802 PolarHBondContact O-N 3.33Å; E800-L802 PolarHBondContact O-N 2.01Å
803W86.3Confident81.5Confident137 Ų13793.6 Ų93.652%0.51947%0.465SS..Hα-helixtrans-74.4-39.6176.6-91.267.5000113.5K799 E800 R801 A805 D806 K807K799-W803 PolarHBondContact O-N 3.38Å; K799-W803 VanDerWaalsContact O-N 3.11Å; E800-W803 PolarHBondContact O-N 2.85Å; R801-W803 VanDerWaalsContact C-N 3.3Å; R801-W803 PolarHBondContact O-N 3.28Å; W803-A805 VanDerWaalsContact C-N 3.33Å; W803-D806 PolarHBondContact O-N 3.36Å; W803-K807 PolarHBondContact O-N 3.23Å
804R83.4Confident80.8Confident150 Ų15095.2 Ų95.257%0.56647%0.468SS*.Hα-helixtrans-63.1-41.3176.2-73.7-175.6-150.7-178.26.8111.3E800 R801 D806 K807 E808E800-R804 WeakPolarHBondContact O-CG 3.39Å; E800-R804 PolarHBondContact O-N 3.15Å; E800-R804 IonicContact OE2-CZ 2.56Å; E800-R804 IonicContact OE2-NE 3.59Å; E800-R804 IonicContact OE2-NH2 3.36Å; E800-R804 PolarHBondContact OE2-NH2 3.15Å; R801-R804 PolarHBondContact O-N 3.33Å; R804-D806 PolarHBondContact O-N 2.94Å; R804-K807 PolarHBondContact O-N 2.85Å; R804-E808 PolarHBondContact O-N 3.43Å
805A77.6Confident80Confident25 Ų25100.9 Ų100.921%0.20750%0.496CS..Hα-helixtrans-61.3-25.7178.600000113.7K780 R801 W803K780-A805 HydrophobicContact CD-CB 4.45Å; K780-A805 WeakPolarHBondContact CE-O 3Å; K780-A805 HydrophobicContact CG-CB 4Å; K780-A805 PolarHBondContact NZ-O 3.46Å; R801-A805 WeakPolarHBondContact O-CB 2.98Å; R801-A805 PolarHBondContact O-N 3.11Å; R801-A805 VanDerWaalsContact O-N 3.08Å; W803-A805 VanDerWaalsContact C-N 3.33Å
806D77.7Confident79.2Confident47 Ų47104.3 Ų104.325%0.25151%0.508SS..Hα-helixtrans-76.7-34.2172.7-85-35.2000112.8K780 R781 S782 W803 R804K780-D806 VanDerWaalsContact CB-OD1 3.29Å; K780-D806 WeakPolarHBondContact CB-OD1 3.48Å; K780-D806 VanDerWaalsContact CD-OD1 3.3Å; K780-D806 WeakPolarHBondContact CD-OD1 3.5Å; R781-D806 WeakPolarHBondContact CA-OD2 3.43Å; R781-D806 WeakPolarHBondContact CB-OD2 3.12Å; R781-D806 PolarHBondContact N-OD2 2.82Å; S782-D806 WeakPolarHBondContact CB-OD1 3.45Å; S782-D806 PolarHBondContact N-OD2 3.49Å; S782-D806 PolarHBondContact OG-OD1 2.87Å; W803-D806 PolarHBondContact O-N 3.36Å; R804-D806 PolarHBondContact O-N 2.94Å
807K73.3Confident78.4Confident149 Ų149102.8 Ų102.865%0.64850%0.497SS*.Hα-helixtrans-78.2-26.8-177.4-70.3-175177.7179.80114.4W803 R804 Q809W803-K807 PolarHBondContact O-N 3.23Å; R804-K807 PolarHBondContact O-N 2.85Å; K807-Q809 PolarHBondContact O-N 3.21Å
808E67.9Low77.6Confident172 Ų17297.9 Ų97.980%0.80448%0.476SS*.THydrogen-bonded Turntrans-74.5-4.7-179.3-75-179.6169.700114.2R804R804-E808 PolarHBondContact O-N 3.43Å
809Q52.6Low76.6Confident157 Ų157104.4 Ų104.473%0.73451%0.505SS*.THydrogen-bonded Turntrans-127.81.6-174.8-145.9162.35.300114.2K807K807-Q809 PolarHBondContact O-N 3.21Å
810A45.9Very low75.3Confident145 Ų145110.1 Ų110.1100%1.19854%0.535SS*.  trans-94.60166.200000109.1

Retrieved 810 of 810 residues in 1584.8 ms (Link to these results)

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