A0A077Z6E7_TRITR Loading...

Rab proteins geranylgeranyltransferase component A 1

AlphaFold DB , UniProt , Accession A0A077Z6E7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 386 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
1M40.9Very low67.9Low176 Ų176113.2 Ų113.287%0.86759%0.593SS**  0101.40-162.6170.3179.400105.8D5 Y6M1-D5 HydrophobicContact CE-CB 4.25Å; M1-Y6 HydrophobicContact CE-CE1 4.37Å; M1-Y6 HydrophobicContact CE-CE2 4.14Å; M1-Y6 VanDerWaalsContact CE-OH 3.27Å; M1-Y6 WeakPolarHBondContact CE-OH 3.42Å; M1-Y6 HydrophobicContact CG-CE2 4.4Å; M1-Y6 HydrophobicContact SD-CE2 4.39Å; M1-Y6 PolarHBondContact SD-OH 2.71Å
2E34.6Very low70.4Confident146 Ų146104.9 Ų104.968%0.68255%0.55SS**  trans-70.3145.5-175.8-68-175.816500109.3K4 D5E2-K4 PolarHBondContact O-N 2.75Å; E2-D5 PolarHBondContact O-N 2.9Å
3L44.4Very low72.5Confident166 Ų16699.2 Ų99.287%0.86952%0.521SS*.G310 helixtrans-55.3-8.3-179.1-92.7123.1000115.1D5L3-D5 VanDerWaalsContact C-N 3.31Å; L3-D5 PolarHBondContact O-N 2.74Å
4K44.7Very low74.4Confident177 Ų17792.4 Ų92.477%0.7749%0.485SS*.G310 helixtrans-72.6-18.9178.9-71.3-176.7177.1176.60114.1E2 Y6E2-K4 PolarHBondContact O-N 2.75Å; K4-Y6 PolarHBondContact O-N 2.95Å
5D54.8Low76Confident114 Ų11486.3 Ų86.361%0.6145%0.453SS*.G310 helixtrans-77.9-2-176.4-66.3-28000114.2M1 E2 L3M1-D5 HydrophobicContact CE-CB 4.25Å; E2-D5 PolarHBondContact O-N 2.9Å; L3-D5 VanDerWaalsContact C-N 3.31Å; L3-D5 PolarHBondContact O-N 2.74Å
6Y68.1Low77.4Confident159 Ų15980.9 Ų80.962%0.62443%0.425SS*.G310 helixtrans-113.29.8-172.6-63.5-80.6000114.8M1 K4M1-Y6 HydrophobicContact CE-CE1 4.37Å; M1-Y6 HydrophobicContact CE-CE2 4.14Å; M1-Y6 VanDerWaalsContact CE-OH 3.27Å; M1-Y6 WeakPolarHBondContact CE-OH 3.42Å; M1-Y6 HydrophobicContact CG-CE2 4.4Å; M1-Y6 HydrophobicContact SD-CE2 4.39Å; M1-Y6 PolarHBondContact SD-OH 2.71Å; K4-Y6 PolarHBondContact O-N 2.95Å
7A83Confident78.5Confident80 Ų8076.1 Ų76.166%0.66140%0.4SS*.PPolyproline II helixtrans-70.6137.9178.400000111.2
8L90.6Very high79.4Confident14 Ų1471.9 Ų71.97%0.07338%0.378CS..PPolyproline II helixtrans-57.1144.9169.6-69.5173.7000109.9L38 L40 C262 A284 Q285 K287 I289L8-L38 HydrophobicContact CD2-CD1 4.08Å; L8-L40 HydrophobicContact CD2-CD2 4.44Å; L8-C262 HydrophobicContact CD2-CB 4.42Å; L8-A284 HydrophobicContact CD1-CB 4.32Å; L8-Q285 HydrophobicContact CD1-CB 4.31Å; L8-Q285 HydrophobicContact CD1-CG 4.18Å; L8-K287 HydrophobicContact CB-CD 4.41Å; L8-K287 PolarHBondContact O-NZ 3.49Å; L8-I289 HydrophobicContact CB-CD1 3.98Å; L8-I289 HydrophobicContact CD1-CD1 3.94Å; L8-I289 HydrophobicContact CG-CD1 4.44Å
9P93.8Very high80.2Confident37 Ų3768.2 Ų68.224%0.2436%0.358CS..PPolyproline II helixtrans-64.5154.5178.127.7-34.8000111.6V12 L38P9-V12 HydrophobicContact CB-CG1 3.99Å; P9-V12 HydrophobicContact CG-CG1 3.56Å; P9-L38 HydrophobicContact CG-CD1 4.37Å; P9-L38 HydrophobicContact CG-CD2 4.26Å
10D95.1Very high80.7Confident113 Ų11365 Ų6560%0.60434%0.342SS*.SBendtrans-76.1-32173.3-64.5-43.4000112K287 I289 D290D10-K287 WeakPolarHBondContact OD1-CE 3.28Å; D10-K287 IonicContact OD1-NZ 2.99Å; D10-K287 PolarHBondContact OD1-NZ 2.63Å; D10-I289 WeakPolarHBondContact O-CA 3.1Å; D10-D290 PolarHBondContact O-N 3.33Å
11A96.9Very high81.1Confident63 Ų6363 Ų6352%0.52133%0.332SS..EExtended strand (participates in β ladder)trans-149.8145.5-179.500000111.6D290A11-D290 CarbonylContact C-O 3.49Å; A11-D290 VanDerWaalsContact CA-O 3.28Å; A11-D290 WeakPolarHBondContact CA-O 3.48Å; A11-D290 HydrophobicContact CB-CB 4.11Å
12V97.8Very high83.5Confident14 Ų1457.5 Ų57.59%0.08531%0.309CS..EExtended strand (participates in β ladder)trans-141.6166.5173.4-660000110.7P9 V15 S36 L38 I289 D290 C291P9-V12 HydrophobicContact CB-CG1 3.99Å; P9-V12 HydrophobicContact CG-CG1 3.56Å; V12-V15 HydrophobicContact CG2-CG2 3.55Å; V12-S36 WeakPolarHBondContact CA-OG 2.89Å; V12-L38 HydrophobicContact CG1-CB 4.1Å; V12-L38 HydrophobicContact CG2-CB 3.91Å; V12-I289 HydrophobicContact CG2-CG2 4.43Å; V12-D290 PolarHBondContact N-O 3.27Å; V12-C291 HydrophobicContact CG2-CB 4.27Å; V12-C291 VanDerWaalsContact O-CA 3.3Å; V12-C291 WeakPolarHBondContact O-CA 3.47Å
13D98.2Very high86.4Confident31 Ų3151.6 Ų51.617%0.16628%0.282CS..EExtended strand (participates in β ladder)trans-75-44.9174.7-63.3-63.7000110.9L35 S36 K292 Y293D13-L35 HydrophobicContact CB-CB 4.07Å; D13-L35 HydrophobicContact CB-CD2 4.14Å; D13-S36 PolarHBondContact N-O 3.38Å; D13-S36 VanDerWaalsContact N-O 3.11Å; D13-S36 PolarHBondContact N-OG 3.32Å; D13-S36 PolarHBondContact OD2-N 2.82Å; D13-S36 PolarHBondContact OD2-OG 2.68Å; D13-K292 WeakPolarHBondContact O-CB 3.29Å; D13-K292 PolarHBondContact O-N 3.06Å; D13-K292 VanDerWaalsContact O-N 3.1Å; D13-K292 WeakPolarHBondContact OD1-CE 3.23Å; D13-K292 IonicContact OD1-NZ 2.71Å; D13-K292 PolarHBondContact OD1-NZ 3.41Å; D13-Y293 PolarHBondContact O-N 3.32Å
14V98.4Very high88.8Confident4 Ų443.7 Ų43.72%0.02424%0.24CC..EExtended strand (participates in β ladder)trans-130.3126.9-174.3-171.10000110.5V16 C30 L35 S36 V37 L38 Y293 V295V14-V16 HydrophobicContact CG1-CG2 3.9Å; V14-C30 HydrophobicContact CG2-CB 4.33Å; V14-L35 HydrophobicContact CG2-CB 4.37Å; V14-L35 HydrophobicContact CG2-CD1 3.9Å; V14-S36 PolarHBondContact N-O 2.9Å; V14-V37 HydrophobicContact CB-CG2 4.43Å; V14-V37 WeakPolarHBondContact O-CA 3.41Å; V14-L38 PolarHBondContact O-N 2.8Å; V14-Y293 WeakPolarHBondContact CA-O 3.21Å; V14-Y293 HydrophobicContact CG2-CD2 4.16Å; V14-V295 HydrophobicContact CG1-CG2 4.23Å
15V98.2Very high91.2Very high0 Ų038.1 Ų38.10%022%0.218CC..EExtended strand (participates in β ladder)trans-102.7132.7165.3172.20000108.6V12 L17 L38 I282 C291 Y293 L294 V295V12-V15 HydrophobicContact CG2-CG2 3.55Å; V15-L17 HydrophobicContact CG1-CD2 3.6Å; V15-L17 HydrophobicContact CG1-CG 4.29Å; V15-L38 CarbonylContact C-O 3.59Å; V15-L38 WeakPolarHBondContact CA-O 3.29Å; V15-L38 HydrophobicContact CG2-CB 4.39Å; V15-I282 HydrophobicContact CG1-CD1 3.65Å; V15-I282 HydrophobicContact CG1-CG1 4.22Å; V15-I282 HydrophobicContact CG1-CG2 4.42Å; V15-I282 HydrophobicContact CG2-CD1 4.4Å; V15-I282 HydrophobicContact CG2-CG1 4.37Å; V15-C291 HydrophobicContact CB-CB 4.25Å; V15-C291 HydrophobicContact CG2-CB 3.55Å; V15-Y293 PolarHBondContact N-O 3.3Å; V15-L294 HydrophobicContact CB-CD1 3.82Å; V15-L294 HydrophobicContact CG1-CD1 3.57Å; V15-V295 PolarHBondContact O-N 3.44Å
16V98.1Very high93.2Very high0 Ų036.3 Ų36.30%021%0.208CC..EExtended strand (participates in β ladder)trans-121.4124.7177.4-173.20000109.2V14 E23 A27 V37 L38 H39 L40 V295V14-V16 HydrophobicContact CG1-CG2 3.9Å; V16-E23 HydrophobicContact CG1-CB 3.7Å; V16-E23 HydrophobicContact CG1-CG 4.21Å; V16-A27 HydrophobicContact CG2-CB 4.09Å; V16-V37 HydrophobicContact CG2-CG1 4.11Å; V16-L38 PolarHBondContact N-O 3.46Å; V16-H39 HydrophobicContact CB-CB 4.43Å; V16-H39 CarbonylContact O-C 3.57Å; V16-H39 WeakPolarHBondContact O-CA 3.34Å; V16-H39 PolarHBondContact O-CD2 3.34Å; V16-L40 PolarHBondContact O-N 3.19Å; V16-V295 CarbonylContact C-O 3.52Å; V16-V295 WeakPolarHBondContact CA-O 3.42Å; V16-V295 HydrophobicContact CG1-CB 4.29Å; V16-V295 HydrophobicContact CG1-CG1 4.27Å; V16-V295 HydrophobicContact CG2-CB 4.24Å
17L97Very high94.6Very high0 Ų028.8 Ų28.80%018%0.179CC..EExtended strand (participates in β ladder)trans-109.9119.8-178.9-50.6-174.4000111V15 L40 V267 W270 I282 L294 V295 S297 Y300V15-L17 HydrophobicContact CG1-CD2 3.6Å; V15-L17 HydrophobicContact CG1-CG 4.29Å; L17-L40 HydrophobicContact CD2-CB 4.08Å; L17-L40 HydrophobicContact CD2-CD1 4.15Å; L17-L40 HydrophobicContact CD2-CG 4.44Å; L17-V267 HydrophobicContact CD1-CB 4.42Å; L17-V267 HydrophobicContact CD1-CG1 4.48Å; L17-V267 HydrophobicContact CD1-CG2 4.03Å; L17-V267 HydrophobicContact CD2-CG2 3.5Å; L17-V267 VanDerWaalsContact CD2-CG2 3.5Å; L17-V267 HydrophobicContact CG-CG2 4.38Å; L17-W270 HydrophobicContact CD1-CZ2 4.06Å; L17-I282 HydrophobicContact CD2-CD1 4.43Å; L17-L294 HydrophobicContact CD1-CD1 3.94Å; L17-L294 HydrophobicContact CD2-CD1 4.44Å; L17-L294 HydrophobicContact CG-CD1 3.88Å; L17-V295 PolarHBondContact N-O 3.35Å; L17-S297 PolarHBondContact O-N 3.48Å; L17-Y300 HydrophobicContact CB-CD1 4.03Å; L17-Y300 HydrophobicContact CB-CD2 4.02Å; L17-Y300 HydrophobicContact CB-CE1 4.43Å; L17-Y300 HydrophobicContact CB-CE2 4.46Å; L17-Y300 HydrophobicContact CB-CG 3.82Å; L17-Y300 HydrophobicContact CD1-CD1 4.38Å; L17-Y300 HydrophobicContact CD1-CG 4.41Å
18G94.8Very high95.3Very high0 Ų025.2 Ų25.20%015%0.15CC..SBendtrans90.3133-175.900000112G20 E23 H39 L40 Y300G18-G20 VanDerWaalsContact C-N 3.3Å; G18-G20 PolarHBondContact O-N 2.96Å; G18-E23 WeakPolarHBondContact O-CB 3.27Å; G18-E23 VanDerWaalsContact O-CG 3.3Å; G18-E23 WeakPolarHBondContact O-CG 3.48Å; G18-H39 PolarHBondContact O-NE2 2.9Å; G18-L40 PolarHBondContact N-O 3.44Å; G18-Y300 VanDerWaalsContact CA-CE2 3.43Å
19T94.1Very high95.6Very high1 Ų126.9 Ų26.91%0.00617%0.165CC..  trans-95.934.6-177.557.70000112.5C24 D41 Y46 G47 Y261 L263T19-C24 VanDerWaalsContact C-SG 3.55Å; T19-C24 PolarHBondContact O-SG 3.11Å; T19-D41 WeakPolarHBondContact CB-OD2 3.26Å; T19-D41 HydrophobicContact CG2-CB 3.89Å; T19-D41 PolarHBondContact N-OD2 3.01Å; T19-D41 PolarHBondContact OG1-OD2 2.89Å; T19-Y46 HydrophobicContact CG2-CD1 3.88Å; T19-Y46 HydrophobicContact CG2-CE1 4.29Å; T19-Y46 WeakPolarHBondContact OG1-CA 3.3Å; T19-G47 CarbonylContact O-C 3.55Å; T19-G47 WeakPolarHBondContact O-CA 3.4Å; T19-G47 PolarHBondContact O-N 3.1Å; T19-G47 VanDerWaalsContact O-N 3.08Å; T19-G47 PolarHBondContact OG1-N 2.83Å; T19-Y261 HydrophobicContact CG2-CE1 4.47Å; T19-L263 HydrophobicContact CG2-CD2 4.38Å
20G90.8Very high95.8Very high4 Ų426.1 Ų26.14%0.04116%0.16CC..  trans-62.3165.4171.300000112.4G18 E23 C24 G47G18-G20 VanDerWaalsContact C-N 3.3Å; G18-G20 PolarHBondContact O-N 2.96Å; G20-E23 WeakPolarHBondContact CA-OE2 3.42Å; G20-E23 PolarHBondContact N-OE2 3.25Å; G20-E23 PolarHBondContact O-N 3.11Å; G20-C24 WeakPolarHBondContact O-CB 3.43Å; G20-C24 PolarHBondContact O-N 3Å; G20-C24 PolarHBondContact O-SG 2.84Å; G20-G47 WeakPolarHBondContact CA-O 3.19Å
21L89.3Confident96Very high23 Ų2320.8 Ų20.812%0.1213%0.132CC..Hα-helixtrans-59.4-46.7-178.8-178.663.4000112.4E23 C24 I25 W50 L246 F250L21-E23 VanDerWaalsContact C-N 3.35Å; L21-E23 PolarHBondContact O-N 3.38Å; L21-C24 PolarHBondContact O-N 3.16Å; L21-I25 HydrophobicContact CD1-CD1 3.93Å; L21-I25 HydrophobicContact CD1-CG1 4.13Å; L21-I25 HydrophobicContact CG-CD1 3.84Å; L21-I25 HydrophobicContact CG-CG1 4.46Å; L21-I25 VanDerWaalsContact O-CG1 3.27Å; L21-I25 WeakPolarHBondContact O-CG1 3.43Å; L21-I25 PolarHBondContact O-N 3.36Å; L21-W50 HydrophobicContact CB-CB 4.4Å; L21-W50 HydrophobicContact CB-CD2 3.49Å; L21-W50 VanDerWaalsContact CB-CD2 3.49Å; L21-W50 HydrophobicContact CB-CE3 3.39Å; L21-W50 HydrophobicContact CB-CG 3.9Å; L21-W50 HydrophobicContact CB-CH2 4.5Å; L21-W50 HydrophobicContact CB-CZ3 3.92Å; L21-W50 HydrophobicContact CD2-CE3 3.62Å; L21-W50 HydrophobicContact CD2-CH2 4.29Å; L21-W50 HydrophobicContact CD2-CZ3 3.46Å; L21-W50 VanDerWaalsContact CD2-CZ3 3.46Å; L21-W50 HydrophobicContact CG-CE3 4.15Å; L21-W50 HydrophobicContact CG-CZ3 4.3Å; L21-L246 HydrophobicContact CD1-CB 3.77Å; L21-L246 HydrophobicContact CD2-CD1 4.49Å; L21-F250 HydrophobicContact CD1-CD2 3.98Å; L21-F250 HydrophobicContact CD1-CE2 4.32Å
22P91.6Very high95.9Very high61 Ų6124.7 Ų24.740%0.39613%0.134SC..Hα-helixtrans-58.5-45176.6-23.934.8000112.9I25 L26 W50P22-I25 PolarHBondContact O-N 3.44Å; P22-L26 WeakPolarHBondContact O-CB 3.41Å; P22-L26 PolarHBondContact O-N 2.94Å; P22-W50 HydrophobicContact CG-CZ2 4.29Å
23E94.7Very high95.9Very high23 Ų2329.9 Ų29.911%0.10717%0.165CC..Hα-helixtrans-64.3-43.4-180-65.378.3-167.400111.3V16 G18 G20 L21 L26 A27 S297V16-E23 HydrophobicContact CG1-CB 3.7Å; V16-E23 HydrophobicContact CG1-CG 4.21Å; G18-E23 WeakPolarHBondContact O-CB 3.27Å; G18-E23 VanDerWaalsContact O-CG 3.3Å; G18-E23 WeakPolarHBondContact O-CG 3.48Å; G20-E23 WeakPolarHBondContact CA-OE2 3.42Å; G20-E23 PolarHBondContact N-OE2 3.25Å; G20-E23 PolarHBondContact O-N 3.11Å; L21-E23 VanDerWaalsContact C-N 3.35Å; L21-E23 PolarHBondContact O-N 3.38Å; E23-L26 PolarHBondContact O-N 2.98Å; E23-A27 VanDerWaalsContact O-CB 3.23Å; E23-A27 WeakPolarHBondContact O-CB 3.39Å; E23-A27 PolarHBondContact O-N 2.71Å; E23-S297 WeakPolarHBondContact OE1-CA 3.26Å; E23-S297 WeakPolarHBondContact OE1-CB 3.36Å
24C95.4Very high95.8Very high0 Ų031.5 Ų31.50%019%0.189CC..Hα-helixtrans-63.3-43.6176.2-69.40000112.5T19 G20 L21 L26 A28 A247 F250 S251T19-C24 VanDerWaalsContact C-SG 3.55Å; T19-C24 PolarHBondContact O-SG 3.11Å; G20-C24 WeakPolarHBondContact O-CB 3.43Å; G20-C24 PolarHBondContact O-N 3Å; G20-C24 PolarHBondContact O-SG 2.84Å; L21-C24 PolarHBondContact O-N 3.16Å; C24-L26 VanDerWaalsContact C-N 3.34Å; C24-A28 WeakPolarHBondContact O-CB 3.21Å; C24-A28 PolarHBondContact O-N 3.42Å; C24-A247 PolarHBondContact SG-O 2.93Å; C24-A247 VanDerWaalsContact SG-O 3.39Å; C24-F250 HydrophobicContact CB-CB 3.73Å; C24-S251 PolarHBondContact SG-OG 2.93Å
25I94.9Very high95.8Very high60 Ų6034.1 Ų34.131%0.30820%0.202SC..Hα-helixtrans-61-46.3176.7-69.8168.2000110.2L21 P22 A28 A29 F250L21-I25 HydrophobicContact CD1-CD1 3.93Å; L21-I25 HydrophobicContact CD1-CG1 4.13Å; L21-I25 HydrophobicContact CG-CD1 3.84Å; L21-I25 HydrophobicContact CG-CG1 4.46Å; L21-I25 VanDerWaalsContact O-CG1 3.27Å; L21-I25 WeakPolarHBondContact O-CG1 3.43Å; L21-I25 PolarHBondContact O-N 3.36Å; P22-I25 PolarHBondContact O-N 3.44Å; I25-A28 PolarHBondContact O-N 2.87Å; I25-A29 PolarHBondContact O-N 3.27Å; I25-F250 HydrophobicContact CB-CD1 4.42Å; I25-F250 HydrophobicContact CD1-CD2 4.47Å; I25-F250 HydrophobicContact CD1-CE2 4.12Å; I25-F250 HydrophobicContact CD1-CZ 4.38Å; I25-F250 HydrophobicContact CG1-CD1 3.94Å; I25-F250 HydrophobicContact CG1-CD2 3.63Å; I25-F250 HydrophobicContact CG1-CE1 3.92Å; I25-F250 HydrophobicContact CG1-CE2 3.61Å; I25-F250 HydrophobicContact CG1-CG 3.82Å; I25-F250 HydrophobicContact CG1-CZ 3.77Å
26L96.8Very high95.8Very high76 Ų7636.4 Ų36.440%0.39822%0.218SC..Hα-helixtrans-67.5-44.6-179-173.469000111.9P22 E23 C24 A28 A29 C30 V295P22-L26 WeakPolarHBondContact O-CB 3.41Å; P22-L26 PolarHBondContact O-N 2.94Å; E23-L26 PolarHBondContact O-N 2.98Å; C24-L26 VanDerWaalsContact C-N 3.34Å; L26-A28 VanDerWaalsContact C-N 3.31Å; L26-A28 PolarHBondContact O-N 3.44Å; L26-A29 WeakPolarHBondContact O-CB 3.14Å; L26-A29 PolarHBondContact O-N 2.86Å; L26-A29 VanDerWaalsContact O-N 3.14Å; L26-C30 PolarHBondContact O-N 3.41Å; L26-C30 PolarHBondContact O-SG 3.44Å; L26-C30 VanDerWaalsContact O-SG 3.38Å; L26-V295 HydrophobicContact CD2-CB 4.22Å; L26-V295 HydrophobicContact CD2-CG1 3.7Å; L26-V295 HydrophobicContact CD2-CG2 3.54Å
27A98Very high95.8Very high0 Ų036.6 Ų36.60%022%0.219CC..Hα-helixtrans-56.1-46.8175.900000111.2V16 E23 A29 C30 A31 V37 H39 C254V16-A27 HydrophobicContact CG2-CB 4.09Å; E23-A27 VanDerWaalsContact O-CB 3.23Å; E23-A27 WeakPolarHBondContact O-CB 3.39Å; E23-A27 PolarHBondContact O-N 2.71Å; A27-A29 VanDerWaalsContact C-N 3.34Å; A27-A29 PolarHBondContact O-N 3.28Å; A27-C30 PolarHBondContact O-N 3.26Å; A27-A31 PolarHBondContact O-N 2.84Å; A27-V37 HydrophobicContact CB-CG1 4.15Å; A27-H39 VanDerWaalsContact CB-ND1 3.33Å; A27-H39 WeakPolarHBondContact CB-ND1 3.45Å; A27-C254 HydrophobicContact CB-CB 4.5Å; A27-C254 PolarHBondContact O-SG 3.1Å
28A97.3Very high95.9Very high6 Ų636.6 Ų36.65%0.0522%0.219CC..Hα-helixtrans-60.9-42.3176.400000112.2C24 I25 L26 R32 F250 C254C24-A28 WeakPolarHBondContact O-CB 3.21Å; C24-A28 PolarHBondContact O-N 3.42Å; I25-A28 PolarHBondContact O-N 2.87Å; L26-A28 VanDerWaalsContact C-N 3.31Å; L26-A28 PolarHBondContact O-N 3.44Å; A28-R32 WeakPolarHBondContact O-CB 3.43Å; A28-R32 PolarHBondContact O-N 2.92Å; A28-F250 HydrophobicContact CB-CB 4.49Å; A28-F250 HydrophobicContact CB-CD1 4.01Å; A28-C254 HydrophobicContact CB-CB 4.13Å
29A97.4Very high96Very high49 Ų4936.6 Ų36.641%0.40522%0.219SC..Hα-helixtrans-63.8-43.6176.600000112.4I25 L26 A27 R32 V33I25-A29 PolarHBondContact O-N 3.27Å; L26-A29 WeakPolarHBondContact O-CB 3.14Å; L26-A29 PolarHBondContact O-N 2.86Å; L26-A29 VanDerWaalsContact O-N 3.14Å; A27-A29 VanDerWaalsContact C-N 3.34Å; A27-A29 PolarHBondContact O-N 3.28Å; A29-R32 WeakPolarHBondContact O-CB 3.27Å; A29-R32 PolarHBondContact O-N 3Å; A29-V33 WeakPolarHBondContact O-CG2 3.37Å; A29-V33 PolarHBondContact O-N 3.01Å; A29-V33 VanDerWaalsContact O-N 3.16Å
30C98.1Very high96.2Very high20 Ų2036.5 Ų36.514%0.13522%0.219CC..Hα-helixtrans-61.5-48.4177.1-70.90000111.8V14 L26 A27 R32 V33 G34 L35 V37V14-C30 HydrophobicContact CG2-CB 4.33Å; L26-C30 PolarHBondContact O-N 3.41Å; L26-C30 PolarHBondContact O-SG 3.44Å; L26-C30 VanDerWaalsContact O-SG 3.38Å; A27-C30 PolarHBondContact O-N 3.26Å; C30-R32 VanDerWaalsContact C-N 3.33Å; C30-R32 PolarHBondContact O-N 3.47Å; C30-V33 PolarHBondContact O-N 3.27Å; C30-G34 PolarHBondContact O-N 3.2Å; C30-L35 HydrophobicContact CB-CB 4.39Å; C30-L35 HydrophobicContact CB-CD1 4.16Å; C30-L35 WeakPolarHBondContact O-CB 3.44Å; C30-L35 PolarHBondContact O-N 2.83Å; C30-L35 VanDerWaalsContact O-N 3.11Å; C30-V37 HydrophobicContact CB-CG2 3.67Å
31A97.6Very high96.4Very high2 Ų236.3 Ų36.32%0.01722%0.217CC..Hα-helixtrans-62.3-41.1177.500000111.4A27 V33 G34 V37 C254 F257A27-A31 PolarHBondContact O-N 2.84Å; A31-V33 VanDerWaalsContact C-N 3.26Å; A31-V33 PolarHBondContact O-N 2.96Å; A31-G34 WeakPolarHBondContact O-CA 3.5Å; A31-G34 PolarHBondContact O-N 2.83Å; A31-V37 HydrophobicContact CB-CG2 4.03Å; A31-C254 HydrophobicContact CB-CB 4.5Å; A31-F257 HydrophobicContact CB-CB 3.81Å
32R96.2Very high96.6Very high145 Ų14538.8 Ų38.855%0.54723%0.227SC..Hα-helixtrans-59.3-33.6177.5-167.580.6174.1100-2.1113.2A28 A29 C30 G34 F257A28-R32 WeakPolarHBondContact O-CB 3.43Å; A28-R32 PolarHBondContact O-N 2.92Å; A29-R32 WeakPolarHBondContact O-CB 3.27Å; A29-R32 PolarHBondContact O-N 3Å; C30-R32 VanDerWaalsContact C-N 3.33Å; C30-R32 PolarHBondContact O-N 3.47Å; R32-G34 VanDerWaalsContact C-N 3.27Å; R32-F257 HydrophobicContact CB-CD2 4.39Å; R32-F257 VanDerWaalsContact CZ-CZ 3.42Å
33V96.8Very high96.7Very high123 Ų12337.3 Ų37.375%0.74522%0.215SC*.Hα-helixtrans-80.3-10.1177.6174.70000112A29 C30 A31A29-V33 WeakPolarHBondContact O-CG2 3.37Å; A29-V33 PolarHBondContact O-N 3.01Å; A29-V33 VanDerWaalsContact O-N 3.16Å; C30-V33 PolarHBondContact O-N 3.27Å; A31-V33 VanDerWaalsContact C-N 3.26Å; A31-V33 PolarHBondContact O-N 2.96Å
34G97.2Very high96.5Very high64 Ų6442 Ų4266%0.6624%0.237SC*.THydrogen-bonded Turntrans98.414.9177.600000114.5C30 A31 R32C30-G34 PolarHBondContact O-N 3.2Å; A31-G34 WeakPolarHBondContact O-CA 3.5Å; A31-G34 PolarHBondContact O-N 2.83Å; R32-G34 VanDerWaalsContact C-N 3.27Å
35L98.2Very high96.3Very high59 Ų5944.2 Ų44.231%0.30925%0.246SC..  trans-78.3143.4172-60.7178.1000110.3D13 V14 C30 V37D13-L35 HydrophobicContact CB-CB 4.07Å; D13-L35 HydrophobicContact CB-CD2 4.14Å; V14-L35 HydrophobicContact CG2-CB 4.37Å; V14-L35 HydrophobicContact CG2-CD1 3.9Å; C30-L35 HydrophobicContact CB-CB 4.39Å; C30-L35 HydrophobicContact CB-CD1 4.16Å; C30-L35 WeakPolarHBondContact O-CB 3.44Å; C30-L35 PolarHBondContact O-N 2.83Å; C30-L35 VanDerWaalsContact O-N 3.11Å; L35-V37 PolarHBondContact O-N 3.3Å
36S98.1Very high96.1Very high49 Ų4944.8 Ų44.834%0.34325%0.245SC..  trans-73.5122169.554.80000110.1V12 D13 V14V12-S36 WeakPolarHBondContact CA-OG 2.89Å; D13-S36 PolarHBondContact N-O 3.38Å; D13-S36 VanDerWaalsContact N-O 3.11Å; D13-S36 PolarHBondContact N-OG 3.32Å; D13-S36 PolarHBondContact OD2-N 2.82Å; D13-S36 PolarHBondContact OD2-OG 2.68Å; V14-S36 PolarHBondContact N-O 2.9Å
37V98.5Very high95.6Very high3 Ų341.1 Ų41.12%0.01823%0.226CC..EExtended strand (participates in β ladder)trans-117.7128.7-175.1-177.70000110.1V14 V16 A27 C30 A31 L35 V260V14-V37 HydrophobicContact CB-CG2 4.43Å; V14-V37 WeakPolarHBondContact O-CA 3.41Å; V16-V37 HydrophobicContact CG2-CG1 4.11Å; A27-V37 HydrophobicContact CB-CG1 4.15Å; C30-V37 HydrophobicContact CB-CG2 3.67Å; A31-V37 HydrophobicContact CB-CG2 4.03Å; L35-V37 PolarHBondContact O-N 3.3Å; V37-V260 PolarHBondContact O-N 2.83Å
38L98.1Very high95.1Very high0 Ų041.3 Ų41.30%023%0.227CC..EExtended strand (participates in β ladder)trans-111.3117.9165.6-179.764.7000109.2L8 P9 V12 V14 V15 V16 L40 V260 I289L8-L38 HydrophobicContact CD2-CD1 4.08Å; P9-L38 HydrophobicContact CG-CD1 4.37Å; P9-L38 HydrophobicContact CG-CD2 4.26Å; V12-L38 HydrophobicContact CG1-CB 4.1Å; V12-L38 HydrophobicContact CG2-CB 3.91Å; V14-L38 PolarHBondContact O-N 2.8Å; V15-L38 CarbonylContact C-O 3.59Å; V15-L38 WeakPolarHBondContact CA-O 3.29Å; V15-L38 HydrophobicContact CG2-CB 4.39Å; V16-L38 PolarHBondContact N-O 3.46Å; L38-L40 HydrophobicContact CD1-CD2 3.81Å; L38-L40 HydrophobicContact CD2-CD1 4.23Å; L38-L40 HydrophobicContact CD2-CD2 4.11Å; L38-L40 HydrophobicContact CD2-CG 4.31Å; L38-L40 HydrophobicContact CG-CD1 4.49Å; L38-L40 HydrophobicContact CG-CD2 3.78Å; L38-L40 HydrophobicContact CG-CG 4.03Å; L38-V260 HydrophobicContact CD1-CB 3.93Å; L38-V260 HydrophobicContact CD1-CG1 3.78Å; L38-I289 HydrophobicContact CD2-CD1 3.61Å; L38-I289 HydrophobicContact CD2-CG2 3.97Å
39H97.7Very high94.3Very high0 Ų042.9 Ų42.90%023%0.233CC..EExtended strand (participates in β ladder)trans-115.1112.1-176.4-159.9155.8000110.1V16 G18 A27 V260 Y261 C262V16-H39 HydrophobicContact CB-CB 4.43Å; V16-H39 CarbonylContact O-C 3.57Å; V16-H39 WeakPolarHBondContact O-CA 3.34Å; V16-H39 PolarHBondContact O-CD2 3.34Å; G18-H39 PolarHBondContact O-NE2 2.9Å; A27-H39 VanDerWaalsContact CB-ND1 3.33Å; A27-H39 WeakPolarHBondContact CB-ND1 3.45Å; H39-V260 PolarHBondContact N-O 3.21Å; H39-Y261 HydrophobicContact CB-CD1 3.77Å; H39-Y261 HydrophobicContact CB-CD2 4.44Å; H39-Y261 HydrophobicContact CB-CE1 3.58Å; H39-Y261 HydrophobicContact CB-CE2 4.24Å; H39-Y261 HydrophobicContact CB-CG 4.2Å; H39-Y261 AromaticContact CE1-CE1 3.86Å; H39-Y261 AromaticContact CG-CD1 3.93Å; H39-Y261 AromaticContact CG-CE1 3.37Å; H39-Y261 AromaticContact CG-CZ 3.78Å; H39-Y261 AromaticContact ND1-CE1 3.16Å; H39-Y261 WeakPolarHBondContact ND1-CE1 3.38Å; H39-Y261 AromaticContact ND1-CZ 3.3Å; H39-Y261 VanDerWaalsContact ND1-CZ 3.3Å; H39-Y261 PolarHBondContact ND1-OH 3.48Å; H39-Y261 CarbonylContact O-C 3.54Å; H39-Y261 WeakPolarHBondContact O-CA 3.34Å; H39-C262 PolarHBondContact O-N 3.14Å
40L97.1Very high93.5Very high0 Ų042 Ų420%022%0.22CC..EExtended strand (participates in β ladder)trans-111.8143.5-173.7-54.2-179.9000111.1L8 V16 L17 G18 L38 C262 C265 V267 I282 A284L8-L40 HydrophobicContact CD2-CD2 4.44Å; V16-L40 PolarHBondContact O-N 3.19Å; L17-L40 HydrophobicContact CD2-CB 4.08Å; L17-L40 HydrophobicContact CD2-CD1 4.15Å; L17-L40 HydrophobicContact CD2-CG 4.44Å; G18-L40 PolarHBondContact N-O 3.44Å; L38-L40 HydrophobicContact CD1-CD2 3.81Å; L38-L40 HydrophobicContact CD2-CD1 4.23Å; L38-L40 HydrophobicContact CD2-CD2 4.11Å; L38-L40 HydrophobicContact CD2-CG 4.31Å; L38-L40 HydrophobicContact CG-CD1 4.49Å; L38-L40 HydrophobicContact CG-CD2 3.78Å; L38-L40 HydrophobicContact CG-CG 4.03Å; L40-C262 CarbonylContact C-O 3.6Å; L40-C262 WeakPolarHBondContact CA-O 3.34Å; L40-C262 HydrophobicContact CD2-CB 3.5Å; L40-C265 HydrophobicContact CD2-CB 4.29Å; L40-V267 HydrophobicContact CD1-CG2 3.91Å; L40-I282 HydrophobicContact CD1-CD1 3.47Å; L40-I282 VanDerWaalsContact CD1-CD1 3.47Å; L40-A284 HydrophobicContact CD1-CB 4.12Å
41D96Very high92.9Very high0 Ų041.1 Ų41.10%021%0.214CC..  trans-135.2136.7168-150.7-54.9000110.8T19 N43 C262 L263 R264 C265 Y300T19-D41 WeakPolarHBondContact CB-OD2 3.26Å; T19-D41 HydrophobicContact CG2-CB 3.89Å; T19-D41 PolarHBondContact N-OD2 3.01Å; T19-D41 PolarHBondContact OG1-OD2 2.89Å; D41-N43 PolarHBondContact O-N 2.91Å; D41-N43 VanDerWaalsContact OD1-CB 3.27Å; D41-N43 WeakPolarHBondContact OD1-CB 3.5Å; D41-N43 PolarHBondContact OD1-N 2.92Å; D41-N43 PolarHBondContact OD1-ND2 2.99Å; D41-C262 PolarHBondContact N-O 3.4Å; D41-L263 HydrophobicContact CB-CD2 3.62Å; D41-L263 CarbonylContact O-C 3.57Å; D41-R264 PolarHBondContact O-N 2.83Å; D41-C265 PolarHBondContact O-N 3.2Å; D41-Y300 WeakPolarHBondContact CA-OH 3.33Å; D41-Y300 PolarHBondContact OD1-OH 3.28Å
42K93.9Very high92Very high75 Ų7542 Ų4233%0.32622%0.22SC..SBendtrans-66.7-29.7171.772.1-171.3174.2-175.70111.4P266 E299 Y300K42-P266 HydrophobicContact CB-CB 4.22Å; K42-E299 WeakPolarHBondContact CE-OE2 3.42Å; K42-E299 IonicContact NZ-OE2 3.58Å; K42-E299 PolarHBondContact NZ-OE2 3.07Å; K42-Y300 HydrophobicContact CB-CE1 4.16Å; K42-Y300 HydrophobicContact CD-CE1 4.29Å; K42-Y300 HydrophobicContact CG-CE1 4.33Å; K42-Y300 WeakPolarHBondContact CG-OH 2.96Å; K42-Y300 PolarHBondContact N-OH 3.42Å
43N92Very high91.2Very high29 Ų2935.3 Ų35.316%0.15520%0.195CC..SBendtrans-76.8160.6-177.4-59.9-63.4000111.5D41 Y45 R264D41-N43 PolarHBondContact O-N 2.91Å; D41-N43 VanDerWaalsContact OD1-CB 3.27Å; D41-N43 WeakPolarHBondContact OD1-CB 3.5Å; D41-N43 PolarHBondContact OD1-N 2.92Å; D41-N43 PolarHBondContact OD1-ND2 2.99Å; N43-Y45 VanDerWaalsContact C-N 3.28Å; N43-Y45 HydrophobicContact CB-CD1 4.06Å; N43-Y45 HydrophobicContact CB-CD2 4.3Å; N43-Y45 HydrophobicContact CB-CE1 3.82Å; N43-Y45 HydrophobicContact CB-CE2 4.08Å; N43-Y45 HydrophobicContact CB-CG 4.28Å; N43-Y45 PolarHBondContact OD1-OH 3.4Å; N43-R264 PolarHBondContact O-N 2.84Å
44E92.3Very high90.2Very high122 Ų12231.1 Ų31.157%0.5717%0.169SC*.SBendtrans-86.11.2173.266.6178.4170.600114.3R264E44-R264 HydrophobicContact CB-CG 3.67Å
45Y90.7Very high89.1Confident47 Ų4728.4 Ų28.418%0.18414%0.139CC..SBendtrans-132.3162.7-176.756.9-95.9000110.6N43 A51 F53 W61N43-Y45 VanDerWaalsContact C-N 3.28Å; N43-Y45 HydrophobicContact CB-CD1 4.06Å; N43-Y45 HydrophobicContact CB-CD2 4.3Å; N43-Y45 HydrophobicContact CB-CE1 3.82Å; N43-Y45 HydrophobicContact CB-CE2 4.08Å; N43-Y45 HydrophobicContact CB-CG 4.28Å; N43-Y45 PolarHBondContact OD1-OH 3.4Å; Y45-A51 HydrophobicContact CD2-CB 3.73Å; Y45-A51 HydrophobicContact CE2-CB 3.7Å; Y45-F53 AromaticContact CD1-CE1 3.94Å; Y45-F53 HydrophobicContact CD1-CE1 3.94Å; Y45-F53 AromaticContact CD2-CE1 3.74Å; Y45-F53 HydrophobicContact CD2-CE1 3.74Å; Y45-F53 HydrophobicContact CD2-CZ 4.07Å; Y45-F53 AromaticContact CE1-CE1 3.94Å; Y45-F53 HydrophobicContact CE1-CE1 3.94Å; Y45-F53 HydrophobicContact CE1-CZ 4.12Å; Y45-F53 AromaticContact CE2-CE1 3.73Å; Y45-F53 HydrophobicContact CE2-CE1 3.73Å; Y45-F53 AromaticContact CE2-CZ 3.58Å; Y45-F53 HydrophobicContact CE2-CZ 3.58Å; Y45-F53 AromaticContact CG-CE1 3.86Å; Y45-F53 HydrophobicContact CG-CE1 3.86Å; Y45-F53 AromaticContact CZ-CE1 3.84Å; Y45-F53 AromaticContact CZ-CZ 3.62Å; Y45-W61 PolarHBondContact OH-NE1 3.04Å
46Y90.3Very high88.2Confident71 Ų7128.9 Ų28.928%0.27814%0.14SC..SBendtrans-86.3156.8175.5-69.9-87.2000112.4T19 A51 Q248 Y261 L263T19-Y46 HydrophobicContact CG2-CD1 3.88Å; T19-Y46 HydrophobicContact CG2-CE1 4.29Å; T19-Y46 WeakPolarHBondContact OG1-CA 3.3Å; Y46-A51 WeakPolarHBondContact O-CB 3.34Å; Y46-Q248 HydrophobicContact CD2-CG 3.93Å; Y46-Q248 HydrophobicContact CG-CG 3.85Å; Y46-Y261 AromaticContact CE1-CD1 3.81Å; Y46-Y261 HydrophobicContact CE1-CD1 3.81Å; Y46-Y261 HydrophobicContact CE1-CE1 4.18Å; Y46-L263 HydrophobicContact CD1-CD2 4.36Å; Y46-L263 HydrophobicContact CD2-CD1 4.07Å; Y46-L263 HydrophobicContact CE1-CD2 4.28Å; Y46-L263 HydrophobicContact CE2-CD1 3.74Å
47G87.4Confident87.4Confident0 Ų031.1 Ų31.10%015%0.145CC..  trans105.9-24168.600000113.4T19 G20 F49 W50T19-G47 CarbonylContact O-C 3.55Å; T19-G47 WeakPolarHBondContact O-CA 3.4Å; T19-G47 PolarHBondContact O-N 3.1Å; T19-G47 VanDerWaalsContact O-N 3.08Å; T19-G47 PolarHBondContact OG1-N 2.83Å; G20-G47 WeakPolarHBondContact CA-O 3.19Å; G47-F49 PolarHBondContact O-N 2.89Å; G47-F49 VanDerWaalsContact O-N 3.13Å; G47-W50 VanDerWaalsContact O-CA 3.3Å; G47-W50 WeakPolarHBondContact O-CA 3.2Å; G47-W50 WeakPolarHBondContact O-CB 3.43Å; G47-W50 PolarHBondContact O-N 3.37Å
48G85.7Confident86.5Confident3 Ų331.8 Ų31.83%0.03115%0.148CC..G310 helixtrans49.2-121.7-169.900000110.7W50 A51G48-W50 PolarHBondContact O-N 3.44Å; G48-W50 VanDerWaalsContact O-N 3.17Å; G48-A51 WeakPolarHBondContact O-CB 3.2Å; G48-A51 PolarHBondContact O-N 3.46Å; G48-A51 VanDerWaalsContact O-N 3.08Å
49F80.4Confident85.6Confident40 Ų4034.8 Ų34.818%0.17516%0.162CC..G310 helixtrans-62.2-16.3172.8-65.9-42.7000115G47 V87 I111 C112 I113 V298 E299G47-F49 PolarHBondContact O-N 2.89Å; G47-F49 VanDerWaalsContact O-N 3.13Å; F49-V87 HydrophobicContact CE1-CG2 4.25Å; F49-V87 HydrophobicContact CZ-CG2 4.14Å; F49-I111 CarbonylContact C-O 3.6Å; F49-I111 VanDerWaalsContact CB-O 3.27Å; F49-I111 WeakPolarHBondContact CB-O 3.27Å; F49-I111 HydrophobicContact CD1-CB 4.48Å; F49-I111 HydrophobicContact CD1-CG2 3.67Å; F49-I111 HydrophobicContact CE1-CG2 4.42Å; F49-I111 HydrophobicContact CG-CG2 4.49Å; F49-I111 CarbonylContact O-C 3.5Å; F49-I111 WeakPolarHBondContact O-CA 3.49Å; F49-I111 WeakPolarHBondContact O-CB 3.5Å; F49-I111 PolarHBondContact O-N 3.16Å; F49-C112 PolarHBondContact O-N 3.44Å; F49-I113 HydrophobicContact CB-CD1 4.26Å; F49-I113 HydrophobicContact CD1-CD1 3.45Å; F49-I113 VanDerWaalsContact CD1-CD1 3.45Å; F49-I113 HydrophobicContact CD2-CD1 3.77Å; F49-I113 HydrophobicContact CE1-CD1 3.57Å; F49-I113 HydrophobicContact CE2-CD1 3.88Å; F49-I113 HydrophobicContact CG-CD1 3.56Å; F49-I113 HydrophobicContact CZ-CD1 3.79Å; F49-V298 HydrophobicContact CE2-CG1 4.32Å; F49-E299 HydrophobicContact CE2-CB 4.12Å; F49-E299 HydrophobicContact CZ-CB 4.26Å
50W82.4Confident84.9Confident31 Ų3139.1 Ų39.112%0.11718%0.182CC..G310 helixtrans-94.83.7176.4-57.573.2000113.2L21 P22 G47 G48 Q120 G244L21-W50 HydrophobicContact CB-CB 4.4Å; L21-W50 HydrophobicContact CB-CD2 3.49Å; L21-W50 VanDerWaalsContact CB-CD2 3.49Å; L21-W50 HydrophobicContact CB-CE3 3.39Å; L21-W50 HydrophobicContact CB-CG 3.9Å; L21-W50 HydrophobicContact CB-CH2 4.5Å; L21-W50 HydrophobicContact CB-CZ3 3.92Å; L21-W50 HydrophobicContact CD2-CE3 3.62Å; L21-W50 HydrophobicContact CD2-CH2 4.29Å; L21-W50 HydrophobicContact CD2-CZ3 3.46Å; L21-W50 VanDerWaalsContact CD2-CZ3 3.46Å; L21-W50 HydrophobicContact CG-CE3 4.15Å; L21-W50 HydrophobicContact CG-CZ3 4.3Å; P22-W50 HydrophobicContact CG-CZ2 4.29Å; G47-W50 VanDerWaalsContact O-CA 3.3Å; G47-W50 WeakPolarHBondContact O-CA 3.2Å; G47-W50 WeakPolarHBondContact O-CB 3.43Å; G47-W50 PolarHBondContact O-N 3.37Å; G48-W50 PolarHBondContact O-N 3.44Å; G48-W50 VanDerWaalsContact O-N 3.17Å; W50-Q120 VanDerWaalsContact CE3-OE1 3.25Å; W50-Q120 HydrophobicContact CZ3-CG 4.02Å; W50-G244 VanDerWaalsContact O-CA 3.26Å; W50-G244 WeakPolarHBondContact O-CA 3.12Å; W50-G244 PolarHBondContact O-N 2.99Å
51A83.9Confident84.2Confident1 Ų140.4 Ų40.41%0.00819%0.187CC..  trans-62.1165.3-176.400000113.1Y45 Y46 G48 F53Y45-A51 HydrophobicContact CD2-CB 3.73Å; Y45-A51 HydrophobicContact CE2-CB 3.7Å; Y46-A51 WeakPolarHBondContact O-CB 3.34Å; G48-A51 WeakPolarHBondContact O-CB 3.2Å; G48-A51 PolarHBondContact O-N 3.46Å; G48-A51 VanDerWaalsContact O-N 3.08Å; A51-F53 HydrophobicContact CB-CE1 3.97Å; A51-F53 HydrophobicContact CB-CE2 4.27Å; A51-F53 HydrophobicContact CB-CZ 3.68Å
52S79.1Confident83.4Confident21 Ų2140.9 Ų40.915%0.14719%0.19CC..  trans-136.6134.3172.3-610000107.2T108 G244S52-T108 VanDerWaalsContact OG-CG2 3.29Å; S52-T108 WeakPolarHBondContact OG-CG2 3.05Å; S52-G244 PolarHBondContact OG-N 3.19Å
53F78.8Confident82.9Confident4 Ų442.7 Ų42.72%0.01820%0.198CC..EExtended strand (participates in β ladder)trans-116.5153.9-169.3-64.1-55.1000111.2Y45 A51 Q57 M58 W61 I107 A109 I111Y45-F53 AromaticContact CD1-CE1 3.94Å; Y45-F53 HydrophobicContact CD1-CE1 3.94Å; Y45-F53 AromaticContact CD2-CE1 3.74Å; Y45-F53 HydrophobicContact CD2-CE1 3.74Å; Y45-F53 HydrophobicContact CD2-CZ 4.07Å; Y45-F53 AromaticContact CE1-CE1 3.94Å; Y45-F53 HydrophobicContact CE1-CE1 3.94Å; Y45-F53 HydrophobicContact CE1-CZ 4.12Å; Y45-F53 AromaticContact CE2-CE1 3.73Å; Y45-F53 HydrophobicContact CE2-CE1 3.73Å; Y45-F53 AromaticContact CE2-CZ 3.58Å; Y45-F53 HydrophobicContact CE2-CZ 3.58Å; Y45-F53 AromaticContact CG-CE1 3.86Å; Y45-F53 HydrophobicContact CG-CE1 3.86Å; Y45-F53 AromaticContact CZ-CE1 3.84Å; Y45-F53 AromaticContact CZ-CZ 3.62Å; A51-F53 HydrophobicContact CB-CE1 3.97Å; A51-F53 HydrophobicContact CB-CE2 4.27Å; A51-F53 HydrophobicContact CB-CZ 3.68Å; F53-Q57 HydrophobicContact CB-CB 3.8Å; F53-Q57 HydrophobicContact CD1-CB 3.99Å; F53-Q57 HydrophobicContact CG-CB 4.22Å; F53-M58 HydrophobicContact CB-CB 4.09Å; F53-W61 HydrophobicContact CD2-CG 4.49Å; F53-W61 HydrophobicContact CE2-CB 4.4Å; F53-W61 AromaticContact CE2-CD1 3.77Å; F53-W61 HydrophobicContact CE2-CD2 4.19Å; F53-W61 AromaticContact CE2-CG 3.88Å; F53-W61 HydrophobicContact CE2-CG 3.88Å; F53-W61 AromaticContact CZ-CD1 3.56Å; F53-W61 HydrophobicContact CZ-CG 4.07Å; F53-W61 AromaticContact CZ-NE1 3.96Å; F53-I107 CarbonylContact C-O 3.45Å; F53-I107 PolarHBondContact N-O 3.44Å; F53-I107 CarbonylContact O-C 3.56Å; F53-I107 VanDerWaalsContact O-C 3.23Å; F53-I107 PolarHBondContact O-N 3.25Å; F53-A109 HydrophobicContact CB-CB 4.18Å; F53-A109 HydrophobicContact CD2-CB 3.29Å; F53-A109 HydrophobicContact CE2-CB 4.01Å; F53-A109 HydrophobicContact CG-CB 4.13Å; F53-I111 HydrophobicContact CE2-CD1 3.87Å
54T77.1Confident82.4Confident34 Ų3444.6 Ų44.621%0.20921%0.208CC..EExtended strand (participates in β ladder)trans-70165.5156.575.30000109.9E56 Q57 M58 M105 L106T54-E56 WeakPolarHBondContact CB-OE2 3.33Å; T54-E56 PolarHBondContact O-N 2.79Å; T54-E56 PolarHBondContact OG1-N 3.1Å; T54-E56 PolarHBondContact OG1-OE2 2.83Å; T54-Q57 PolarHBondContact O-N 2.98Å; T54-Q57 WeakPolarHBondContact OG1-CG 3.38Å; T54-Q57 PolarHBondContact OG1-N 3.11Å; T54-M58 WeakPolarHBondContact O-CB 3.44Å; T54-M58 PolarHBondContact O-N 3.31Å; T54-M105 CarbonylContact C-O 3.44Å; T54-M105 WeakPolarHBondContact CA-O 3.38Å; T54-L106 HydrophobicContact CG2-CD2 4.23Å
55F74.3Confident81.6Confident8 Ų841 Ų414%0.03519%0.191CC..Hα-helixtrans-51-46.9173-172.4-88.3000111.6M58 Q59 W96 A102 M105 I107 L323F55-M58 PolarHBondContact O-N 3.42Å; F55-Q59 HydrophobicContact CD1-CG 4.21Å; F55-Q59 HydrophobicContact CE1-CG 4.07Å; F55-Q59 WeakPolarHBondContact O-CG 3.35Å; F55-Q59 PolarHBondContact O-N 2.97Å; F55-W96 HydrophobicContact CE1-CE3 4.09Å; F55-W96 AromaticContact CE2-CE3 3.74Å; F55-W96 HydrophobicContact CE2-CE3 3.74Å; F55-W96 HydrophobicContact CE2-CZ3 4.11Å; F55-W96 HydrophobicContact CZ-CB 4.19Å; F55-W96 HydrophobicContact CZ-CD2 4.34Å; F55-W96 AromaticContact CZ-CE3 3.46Å; F55-W96 HydrophobicContact CZ-CE3 3.46Å; F55-W96 VanDerWaalsContact CZ-CE3 3.46Å; F55-W96 HydrophobicContact CZ-CZ3 4.25Å; F55-A102 HydrophobicContact CB-CB 4.42Å; F55-A102 VanDerWaalsContact CB-O 3.3Å; F55-A102 WeakPolarHBondContact CB-O 3.48Å; F55-A102 HydrophobicContact CD1-CB 4.3Å; F55-A102 HydrophobicContact CD2-CB 3.35Å; F55-A102 HydrophobicContact CE1-CB 4.4Å; F55-A102 HydrophobicContact CE2-CB 3.55Å; F55-A102 HydrophobicContact CG-CB 3.79Å; F55-A102 HydrophobicContact CZ-CB 4.06Å; F55-M105 PolarHBondContact N-O 2.87Å; F55-I107 HydrophobicContact CB-CD1 4.15Å; F55-I107 HydrophobicContact CB-CG1 4.3Å; F55-I107 HydrophobicContact CD2-CD1 3.24Å; F55-I107 HydrophobicContact CD2-CG1 4.05Å; F55-I107 HydrophobicContact CE2-CD1 3.93Å; F55-I107 HydrophobicContact CG-CD1 4.04Å; F55-L323 HydrophobicContact CD2-CD1 4.33Å; F55-L323 HydrophobicContact CE2-CD1 3.87Å
56E77.9Confident80.8Confident69 Ų6942.2 Ų42.232%0.32220%0.198SC..Hα-helixtrans-66-42.1179.3-57.783.5179.700112.5T54 M58 Q59 Q60 K103 G104T54-E56 WeakPolarHBondContact CB-OE2 3.33Å; T54-E56 PolarHBondContact O-N 2.79Å; T54-E56 PolarHBondContact OG1-N 3.1Å; T54-E56 PolarHBondContact OG1-OE2 2.83Å; E56-M58 VanDerWaalsContact C-N 3.3Å; E56-M58 PolarHBondContact O-N 3.39Å; E56-Q59 PolarHBondContact O-N 3.45Å; E56-Q60 PolarHBondContact O-N 3.18Å; E56-K103 VanDerWaalsContact OE1-C 3.32Å; E56-K103 WeakPolarHBondContact OE1-CA 3.36Å; E56-K103 WeakPolarHBondContact OE1-CB 3.33Å; E56-G104 PolarHBondContact OE1-N 2.81Å; E56-G104 PolarHBondContact OE2-N 3.43Å
57Q82.3Confident80Confident95 Ų9542.5 Ų42.544%0.44421%0.205SC..Hα-helixtrans-64.1-37.8176.8-73.6174.8-25.100111.4F53 T54 Q60 W61F53-Q57 HydrophobicContact CB-CB 3.8Å; F53-Q57 HydrophobicContact CD1-CB 3.99Å; F53-Q57 HydrophobicContact CG-CB 4.22Å; T54-Q57 PolarHBondContact O-N 2.98Å; T54-Q57 WeakPolarHBondContact OG1-CG 3.38Å; T54-Q57 PolarHBondContact OG1-N 3.11Å; Q57-Q60 PolarHBondContact O-N 3.4Å; Q57-W61 WeakPolarHBondContact O-CB 3.23Å; Q57-W61 PolarHBondContact O-N 3.31Å
58M79.9Confident79.2Confident18 Ų1846.3 Ų46.39%0.08922%0.223CC..Hα-helixtrans-63.4-47.4174.5174.2176.1-75.900110.7F53 T54 F55 E56 Q60 W61 V62 W96 I107 A109 I321F53-M58 HydrophobicContact CB-CB 4.09Å; T54-M58 WeakPolarHBondContact O-CB 3.44Å; T54-M58 PolarHBondContact O-N 3.31Å; F55-M58 PolarHBondContact O-N 3.42Å; E56-M58 VanDerWaalsContact C-N 3.3Å; E56-M58 PolarHBondContact O-N 3.39Å; M58-Q60 VanDerWaalsContact C-N 3.3Å; M58-Q60 PolarHBondContact O-N 3.32Å; M58-W61 PolarHBondContact O-N 2.93Å; M58-V62 HydrophobicContact CG-CG2 4.35Å; M58-V62 WeakPolarHBondContact O-CB 3.46Å; M58-V62 WeakPolarHBondContact O-CG2 3.32Å; M58-V62 PolarHBondContact O-N 3.08Å; M58-W96 HydrophobicContact CG-CH2 3.81Å; M58-W96 HydrophobicContact CG-CZ3 4.33Å; M58-W96 HydrophobicContact SD-CH2 3.8Å; M58-W96 HydrophobicContact SD-CZ3 4.04Å; M58-I107 HydrophobicContact CE-CB 3.8Å; M58-I107 HydrophobicContact CE-CD1 4.43Å; M58-I107 HydrophobicContact CE-CG2 3.28Å; M58-I107 HydrophobicContact SD-CB 4.18Å; M58-I107 HydrophobicContact SD-CD1 3.69Å; M58-I107 HydrophobicContact SD-CG2 3.88Å; M58-A109 HydrophobicContact CE-CB 3.17Å; M58-I321 HydrophobicContact CE-CD1 3.88Å
59Q78.9Confident78.2Confident62 Ų6250.7 Ų50.729%0.2925%0.245SC..Hα-helixtrans-57.6-44.7176.5-69.5-178.6-66.700111.8F55 E56 V62 K63 W96F55-Q59 HydrophobicContact CD1-CG 4.21Å; F55-Q59 HydrophobicContact CE1-CG 4.07Å; F55-Q59 WeakPolarHBondContact O-CG 3.35Å; F55-Q59 PolarHBondContact O-N 2.97Å; E56-Q59 PolarHBondContact O-N 3.45Å; Q59-V62 PolarHBondContact O-N 2.83Å; Q59-K63 WeakPolarHBondContact O-CB 3.48Å; Q59-K63 PolarHBondContact O-N 3.46Å; Q59-W96 HydrophobicContact CG-CD2 3.65Å; Q59-W96 HydrophobicContact CG-CE3 3.75Å; Q59-W96 HydrophobicContact CG-CG 4.12Å; Q59-W96 HydrophobicContact CG-CH2 4.37Å; Q59-W96 HydrophobicContact CG-CZ2 4.28Å; Q59-W96 HydrophobicContact CG-CZ3 4.1Å; Q59-W96 VanDerWaalsContact NE2-CB 3.28Å; Q59-W96 VanDerWaalsContact NE2-CG 3.31Å
60Q83.2Confident77.3Confident92 Ų9252.6 Ų52.643%0.4326%0.26SS..Hα-helixtrans-65.3-42.2177.8-172.861.64500111.7E56 Q57 M58 K63 N64E56-Q60 PolarHBondContact O-N 3.18Å; Q57-Q60 PolarHBondContact O-N 3.4Å; M58-Q60 VanDerWaalsContact C-N 3.3Å; M58-Q60 PolarHBondContact O-N 3.32Å; Q60-K63 PolarHBondContact O-N 2.87Å; Q60-N64 PolarHBondContact NE2-OD1 3.44Å; Q60-N64 WeakPolarHBondContact O-CB 3.01Å; Q60-N64 PolarHBondContact O-N 3.37Å; Q60-N64 PolarHBondContact O-ND2 3.01Å; Q60-N64 PolarHBondContact O-OD1 2.97Å
61W82.5Confident76.2Confident27 Ų2757.2 Ų57.210%0.10228%0.283CS..Hα-helixtrans-60.7-48.3177.2-179.693.7000110.8Y45 F53 Q57 M58 K63 N64 H65 F89 I111Y45-W61 PolarHBondContact OH-NE1 3.04Å; F53-W61 HydrophobicContact CD2-CG 4.49Å; F53-W61 HydrophobicContact CE2-CB 4.4Å; F53-W61 AromaticContact CE2-CD1 3.77Å; F53-W61 HydrophobicContact CE2-CD2 4.19Å; F53-W61 AromaticContact CE2-CG 3.88Å; F53-W61 HydrophobicContact CE2-CG 3.88Å; F53-W61 AromaticContact CZ-CD1 3.56Å; F53-W61 HydrophobicContact CZ-CG 4.07Å; F53-W61 AromaticContact CZ-NE1 3.96Å; Q57-W61 WeakPolarHBondContact O-CB 3.23Å; Q57-W61 PolarHBondContact O-N 3.31Å; M58-W61 PolarHBondContact O-N 2.93Å; W61-K63 PolarHBondContact O-N 3.49Å; W61-N64 PolarHBondContact O-N 3.15Å; W61-H65 AromaticContact CD1-CE1 3.6Å; W61-H65 AromaticContact CD2-CE1 3.76Å; W61-H65 AromaticContact CD2-ND1 3.7Å; W61-H65 AromaticContact CE2-CE1 3.14Å; W61-H65 AromaticContact CE2-ND1 3.52Å; W61-H65 AromaticContact CE2-NE2 3.73Å; W61-H65 AromaticContact CG-CE1 3.97Å; W61-H65 AromaticContact CZ2-CE1 3.49Å; W61-H65 VanDerWaalsContact CZ2-CE1 3.49Å; W61-H65 WeakPolarHBondContact CZ2-CE1 3.4Å; W61-H65 AromaticContact CZ2-ND1 3.83Å; W61-H65 AromaticContact CZ2-NE2 3.59Å; W61-H65 AromaticContact NE1-CE1 3.1Å; W61-H65 PolarHBondContact NE1-CE1 3.21Å; W61-H65 AromaticContact NE1-ND1 3.82Å; W61-H65 AromaticContact NE1-NE2 3.82Å; W61-H65 PolarHBondContact O-N 3.02Å; W61-H65 PolarHBondContact O-ND1 2.83Å; W61-F89 AromaticContact CH2-CD1 3.84Å; W61-F89 HydrophobicContact CH2-CD1 3.84Å; W61-F89 AromaticContact CH2-CD2 3.96Å; W61-F89 HydrophobicContact CH2-CD2 3.96Å; W61-F89 AromaticContact CH2-CE1 3.82Å; W61-F89 HydrophobicContact CH2-CE1 3.82Å; W61-F89 AromaticContact CH2-CE2 3.93Å; W61-F89 HydrophobicContact CH2-CE2 3.93Å; W61-F89 AromaticContact CH2-CG 3.93Å; W61-F89 HydrophobicContact CH2-CG 3.93Å; W61-F89 AromaticContact CH2-CZ 3.87Å; W61-F89 HydrophobicContact CH2-CZ 3.87Å; W61-F89 HydrophobicContact CZ2-CD2 4.43Å; W61-F89 HydrophobicContact CZ2-CE1 4.44Å; W61-F89 HydrophobicContact CZ2-CE2 4.05Å; W61-F89 HydrophobicContact CZ2-CZ 4.07Å; W61-I111 HydrophobicContact CD2-CD1 4.22Å; W61-I111 VanDerWaalsContact CE2-CD1 3.49Å; W61-I111 HydrophobicContact CH2-CD1 3.66Å; W61-I111 HydrophobicContact CH2-CG1 4.29Å; W61-I111 HydrophobicContact CZ2-CD1 3.22Å; W61-I111 HydrophobicContact CZ2-CG1 4.25Å; W61-I111 HydrophobicContact CZ3-CD1 4.28Å
62V79.7Confident74.7Confident9 Ų960.4 Ų60.46%0.05530%0.3CS..Hα-helixtrans-56-51.5176157.20000111.1M58 Q59 N64 H65 Q66 I91 W96M58-V62 HydrophobicContact CG-CG2 4.35Å; M58-V62 WeakPolarHBondContact O-CB 3.46Å; M58-V62 WeakPolarHBondContact O-CG2 3.32Å; M58-V62 PolarHBondContact O-N 3.08Å; Q59-V62 PolarHBondContact O-N 2.83Å; V62-N64 PolarHBondContact O-N 2.88Å; V62-H65 PolarHBondContact O-N 3.47Å; V62-Q66 PolarHBondContact O-N 3.36Å; V62-I91 HydrophobicContact CB-CD1 3.82Å; V62-I91 HydrophobicContact CG1-CD1 3.38Å; V62-I91 HydrophobicContact CG1-CG2 4.16Å; V62-I91 HydrophobicContact CG2-CD1 3.64Å; V62-W96 HydrophobicContact CB-CZ2 4.41Å; V62-W96 HydrophobicContact CG1-CZ2 4.33Å; V62-W96 HydrophobicContact CG2-CH2 4.45Å; V62-W96 HydrophobicContact CG2-CZ2 4.11Å
63K82.2Confident73.4Confident113 Ų11363.2 Ų63.249%0.49132%0.319SS..Hα-helixtrans-58.3-46.7-179.8-175.5-179.1177.4-176.70112.1Q59 Q60 W61 H65 Q66 D67Q59-K63 WeakPolarHBondContact O-CB 3.48Å; Q59-K63 PolarHBondContact O-N 3.46Å; Q60-K63 PolarHBondContact O-N 2.87Å; W61-K63 PolarHBondContact O-N 3.49Å; K63-H65 VanDerWaalsContact C-N 3.27Å; K63-H65 PolarHBondContact O-N 3.39Å; K63-Q66 PolarHBondContact O-N 3.31Å; K63-D67 PolarHBondContact O-N 3.2Å
64N81.6Confident71.9Confident70 Ų7070.7 Ų70.737%0.37435%0.354SS..Hα-helixtrans-59.5-38.3179.5-69.4-9.8000112Q60 W61 V62 M68Q60-N64 PolarHBondContact NE2-OD1 3.44Å; Q60-N64 WeakPolarHBondContact O-CB 3.01Å; Q60-N64 PolarHBondContact O-N 3.37Å; Q60-N64 PolarHBondContact O-ND2 3.01Å; Q60-N64 PolarHBondContact O-OD1 2.97Å; W61-N64 PolarHBondContact O-N 3.15Å; V62-N64 PolarHBondContact O-N 2.88Å; N64-M68 VanDerWaalsContact O-CG 3.32Å; N64-M68 WeakPolarHBondContact O-CG 3.37Å; N64-M68 PolarHBondContact O-N 2.99Å
65H76Confident70.3Confident46 Ų4674.6 Ų74.621%0.21338%0.378CS..Hα-helixtrans-73.8-37.7179.1-72.174.3000112.2W61 V62 K63 M68 I69W61-H65 AromaticContact CD1-CE1 3.6Å; W61-H65 AromaticContact CD2-CE1 3.76Å; W61-H65 AromaticContact CD2-ND1 3.7Å; W61-H65 AromaticContact CE2-CE1 3.14Å; W61-H65 AromaticContact CE2-ND1 3.52Å; W61-H65 AromaticContact CE2-NE2 3.73Å; W61-H65 AromaticContact CG-CE1 3.97Å; W61-H65 AromaticContact CZ2-CE1 3.49Å; W61-H65 VanDerWaalsContact CZ2-CE1 3.49Å; W61-H65 WeakPolarHBondContact CZ2-CE1 3.4Å; W61-H65 AromaticContact CZ2-ND1 3.83Å; W61-H65 AromaticContact CZ2-NE2 3.59Å; W61-H65 AromaticContact NE1-CE1 3.1Å; W61-H65 PolarHBondContact NE1-CE1 3.21Å; W61-H65 AromaticContact NE1-ND1 3.82Å; W61-H65 AromaticContact NE1-NE2 3.82Å; W61-H65 PolarHBondContact O-N 3.02Å; W61-H65 PolarHBondContact O-ND1 2.83Å; V62-H65 PolarHBondContact O-N 3.47Å; K63-H65 VanDerWaalsContact C-N 3.27Å; K63-H65 PolarHBondContact O-N 3.39Å; H65-M68 PolarHBondContact O-N 2.85Å; H65-I69 WeakPolarHBondContact O-CG1 3.33Å; H65-I69 PolarHBondContact O-N 3.49Å
66Q73.4Confident68.3Low72 Ų7278.4 Ų78.434%0.33641%0.406SS..Hα-helixtrans-60.8-45.8173.3-72.7172.4-14.900111.3V62 K63 M68 I69 V70 I91V62-Q66 PolarHBondContact O-N 3.36Å; K63-Q66 PolarHBondContact O-N 3.31Å; Q66-M68 VanDerWaalsContact C-N 3.31Å; Q66-M68 PolarHBondContact O-N 3.23Å; Q66-I69 PolarHBondContact O-N 3.42Å; Q66-V70 PolarHBondContact O-N 3.19Å; Q66-I91 HydrophobicContact CG-CD1 4.44Å
67D73.8Confident66Low77 Ų7778.6 Ų78.641%0.41242%0.415SS..Hα-helixtrans-61.8-37.5178.9-70.6-23.8000112K63 V70 Q71K63-D67 PolarHBondContact O-N 3.2Å; D67-V70 PolarHBondContact O-N 2.99Å; D67-Q71 WeakPolarHBondContact O-CG 3.4Å; D67-Q71 PolarHBondContact O-N 3.39Å; D67-Q71 VanDerWaalsContact O-N 3.15Å
68M69.5Low63.5Low80 Ų8080.9 Ų80.939%0.39444%0.438SS..Hα-helixtrans-65.9-37.4176.4-74.818068.100113.2N64 H65 Q66 V70 N72N64-M68 VanDerWaalsContact O-CG 3.32Å; N64-M68 WeakPolarHBondContact O-CG 3.37Å; N64-M68 PolarHBondContact O-N 2.99Å; H65-M68 PolarHBondContact O-N 2.85Å; Q66-M68 VanDerWaalsContact C-N 3.31Å; Q66-M68 PolarHBondContact O-N 3.23Å; M68-V70 VanDerWaalsContact C-N 3.34Å; M68-N72 PolarHBondContact O-N 2.68Å; M68-N72 PolarHBondContact O-ND2 2.96Å
69I65.8Low61.1Low95 Ų9585.7 Ų85.749%0.48747%0.473SS..Hα-helixtrans-64.3-41.3177.5-67.7165.1000110.4H65 Q66 S73H65-I69 WeakPolarHBondContact O-CG1 3.33Å; H65-I69 PolarHBondContact O-N 3.49Å; Q66-I69 PolarHBondContact O-N 3.42Å; I69-S73 PolarHBondContact O-N 2.91Å; I69-S73 PolarHBondContact O-OG 3.27Å
70V61.6Low58.6Low80 Ų8085.8 Ų85.849%0.48548%0.48SS..Hα-helixtrans-64.8-47.7178.5177.30000111Q66 D67 M68 N72 S73 E74Q66-V70 PolarHBondContact O-N 3.19Å; D67-V70 PolarHBondContact O-N 2.99Å; M68-V70 VanDerWaalsContact C-N 3.34Å; V70-N72 VanDerWaalsContact C-N 3.32Å; V70-N72 PolarHBondContact O-N 2.87Å; V70-S73 WeakPolarHBondContact O-CB 3.3Å; V70-S73 PolarHBondContact O-N 2.91Å; V70-E74 PolarHBondContact O-N 3.05Å
71Q58.6Low55.7Low129 Ų12986.7 Ų86.760%0.60350%0.497SS*.Hα-helixtrans-61.7-37.3-179.4-71.7177.86.200113.2D67 S73 V75D67-Q71 WeakPolarHBondContact O-CG 3.4Å; D67-Q71 PolarHBondContact O-N 3.39Å; D67-Q71 VanDerWaalsContact O-N 3.15Å; Q71-S73 VanDerWaalsContact C-N 3.26Å; Q71-S73 PolarHBondContact O-N 3.07Å; Q71-V75 WeakPolarHBondContact O-CG2 3.33Å
72N52.9Low53.2Low68 Ų6889.4 Ų89.436%0.36452%0.516SS..Hα-helixtrans-70-24.7177.1-73.4-32.5000113M68 V70M68-N72 PolarHBondContact O-N 2.68Å; M68-N72 PolarHBondContact O-ND2 2.96Å; V70-N72 VanDerWaalsContact C-N 3.32Å; V70-N72 PolarHBondContact O-N 2.87Å
73S51.8Low50.7Low79 Ų7994.9 Ų94.955%0.55254%0.543SS*.Hα-helixtrans-78.3-25.8-179.7-570000112.9I69 V70 Q71 S76I69-S73 PolarHBondContact O-N 2.91Å; I69-S73 PolarHBondContact O-OG 3.27Å; V70-S73 WeakPolarHBondContact O-CB 3.3Å; V70-S73 PolarHBondContact O-N 2.91Å; Q71-S73 VanDerWaalsContact C-N 3.26Å; Q71-S73 PolarHBondContact O-N 3.07Å; S73-S76 PolarHBondContact O-OG 2.96Å
74E46.3Very low48.4Very low161 Ų16193.2 Ų93.275%0.75254%0.539SS*.Hα-helixtrans-87.2-13.2-177.7-67.2-175.4168.600113.9V70V70-E74 PolarHBondContact O-N 3.05Å
75V44.6Very low46.3Very low116 Ų11694.6 Ų94.670%0.70355%0.547SS*.  trans-98.82.6-173.6-176.40000113.3Q71 S77Q71-V75 WeakPolarHBondContact O-CG2 3.33Å; V75-S77 PolarHBondContact O-N 3Å
76S32.9Very low44.7Very low89 Ų8996.7 Ų96.762%0.62256%0.557SS**  trans-75.589.5-179.253.10000113S73S73-S76 PolarHBondContact O-OG 2.96Å
77S29.7Very low43.4Very low73 Ų7395.9 Ų95.951%0.5156%0.557SS.*  trans-76.8150.1157.444.30000110.5V75 S79V75-S77 PolarHBondContact O-N 3Å; S77-S79 PolarHBondContact O-N 3.18Å
78P29.3Very low41.9Very low143 Ų143100.8 Ų100.893%0.92958%0.577SS**THydrogen-bonded Turntrans-74.219.4-154.6-16.831.4000117.5
79S27.9Very low40.9Very low118 Ų11899.4 Ų99.483%0.82557%0.569SS**THydrogen-bonded Turntrans-128.79.4-17652.80000115.5S77S77-S79 PolarHBondContact O-N 3.18Å
80S26.3Very low40Very low64 Ų64104.2 Ų104.245%0.44858%0.581SS.*  trans-148.2102.2170.852.40000110.3V82S80-V82 PolarHBondContact O-N 3.45Å
81S24.3Very low39.8Very low112 Ų112103 Ų10378%0.78357%0.571SS**  trans-68.784.616843.80000109.5M83S81-M83 PolarHBondContact O-N 3.19Å
82V28.5Very low39.6Very low83 Ų83101 Ų10150%0.50356%0.562SS.*  trans-73.970.3170.6-173.80000108.2S80 N84S80-V82 PolarHBondContact O-N 3.45Å; V82-N84 VanDerWaalsContact C-N 3.32Å; V82-N84 PolarHBondContact O-N 3.46Å
83M28Very low39.8Very low125 Ų125103.8 Ų103.862%0.61658%0.577SS**  trans-77.791.5154.9-76.8-137.1-67.600107.3S81 N85 R303S81-M83 PolarHBondContact O-N 3.19Å; M83-N85 PolarHBondContact O-N 2.82Å; M83-R303 PolarHBondContact O-NH1 2.83Å; M83-R303 PolarHBondContact O-NH2 3.45Å
84N32.6Very low40Very low77 Ų77102.9 Ų102.941%0.41257%0.566SS.*  trans-6596.6156.1-83.7-16000106.1V82 E86V82-N84 VanDerWaalsContact C-N 3.32Å; V82-N84 PolarHBondContact O-N 3.46Å; N84-E86 HydrophobicContact CB-CG 4.42Å; N84-E86 PolarHBondContact O-N 3.15Å
85N38.4Very low40.7Very low100 Ų10098.3 Ų98.354%0.53555%0.551SS.*  trans-68.252.2164.2-74.214000109.3M83M83-N85 PolarHBondContact O-N 2.82Å
86E43.5Very low41.7Very low89 Ų8995.3 Ų95.342%0.41653%0.527SS..  trans-66.1139.4152.7-69.3-173.7154.600105.8N84 E88N84-E86 HydrophobicContact CB-CG 4.42Å; N84-E86 PolarHBondContact O-N 3.15Å; E86-E88 PolarHBondContact O-N 3.01Å
87V46Very low43Very low56 Ų5698.4 Ų98.434%0.33954%0.537SS..  trans-38117.3-178.7177.50000108.9F49 F89 I113F49-V87 HydrophobicContact CE1-CG2 4.25Å; F49-V87 HydrophobicContact CZ-CG2 4.14Å; V87-F89 VanDerWaalsContact C-N 3.33Å; V87-F89 HydrophobicContact CB-CD2 4.29Å; V87-F89 HydrophobicContact CB-CE1 4.38Å; V87-F89 HydrophobicContact CB-CE2 3.65Å; V87-F89 HydrophobicContact CB-CZ 3.68Å; V87-F89 HydrophobicContact CG1-CD1 4.2Å; V87-F89 HydrophobicContact CG1-CD2 4.35Å; V87-F89 HydrophobicContact CG1-CE1 3.65Å; V87-F89 HydrophobicContact CG1-CE2 3.84Å; V87-F89 HydrophobicContact CG1-CZ 3.43Å; V87-F89 VanDerWaalsContact CG1-CZ 3.43Å; V87-F89 HydrophobicContact CG2-CZ 4.48Å; V87-F89 WeakPolarHBondContact O-CD2 3.29Å; V87-F89 WeakPolarHBondContact O-CE2 3.16Å; V87-F89 PolarHBondContact O-N 2.91Å; V87-I113 HydrophobicContact CB-CD1 4.27Å; V87-I113 HydrophobicContact CG1-CD1 4.12Å; V87-I113 HydrophobicContact CG1-CG1 4.33Å; V87-I113 HydrophobicContact CG2-CD1 3.3Å; V87-I113 HydrophobicContact CG2-CG1 4.12Å
88E41.3Very low44.5Very low180 Ų180101.4 Ų101.484%0.84155%0.546SS*.  trans-68.496.4-178.1-167.6177.717900108.1E86 R90E86-E88 PolarHBondContact O-N 3.01Å; E88-R90 PolarHBondContact O-N 2.9Å
89F48.6Very low46.1Very low51 Ų5197.1 Ų97.122%0.22452%0.517CS..  trans-8498.8172-64.6-71.3000107.9W61 V87 I91 I111W61-F89 AromaticContact CH2-CD1 3.84Å; W61-F89 HydrophobicContact CH2-CD1 3.84Å; W61-F89 AromaticContact CH2-CD2 3.96Å; W61-F89 HydrophobicContact CH2-CD2 3.96Å; W61-F89 AromaticContact CH2-CE1 3.82Å; W61-F89 HydrophobicContact CH2-CE1 3.82Å; W61-F89 AromaticContact CH2-CE2 3.93Å; W61-F89 HydrophobicContact CH2-CE2 3.93Å; W61-F89 AromaticContact CH2-CG 3.93Å; W61-F89 HydrophobicContact CH2-CG 3.93Å; W61-F89 AromaticContact CH2-CZ 3.87Å; W61-F89 HydrophobicContact CH2-CZ 3.87Å; W61-F89 HydrophobicContact CZ2-CD2 4.43Å; W61-F89 HydrophobicContact CZ2-CE1 4.44Å; W61-F89 HydrophobicContact CZ2-CE2 4.05Å; W61-F89 HydrophobicContact CZ2-CZ 4.07Å; V87-F89 VanDerWaalsContact C-N 3.33Å; V87-F89 HydrophobicContact CB-CD2 4.29Å; V87-F89 HydrophobicContact CB-CE1 4.38Å; V87-F89 HydrophobicContact CB-CE2 3.65Å; V87-F89 HydrophobicContact CB-CZ 3.68Å; V87-F89 HydrophobicContact CG1-CD1 4.2Å; V87-F89 HydrophobicContact CG1-CD2 4.35Å; V87-F89 HydrophobicContact CG1-CE1 3.65Å; V87-F89 HydrophobicContact CG1-CE2 3.84Å; V87-F89 HydrophobicContact CG1-CZ 3.43Å; V87-F89 VanDerWaalsContact CG1-CZ 3.43Å; V87-F89 HydrophobicContact CG2-CZ 4.48Å; V87-F89 WeakPolarHBondContact O-CD2 3.29Å; V87-F89 WeakPolarHBondContact O-CE2 3.16Å; V87-F89 PolarHBondContact O-N 2.91Å; F89-I91 PolarHBondContact O-N 2.99Å; F89-I111 HydrophobicContact CE1-CG2 3.56Å; F89-I111 HydrophobicContact CZ-CG2 3.43Å; F89-I111 VanDerWaalsContact CZ-CG2 3.43Å
90R47.7Very low47.4Very low195 Ų19596.8 Ų96.874%0.73651%0.512SS*.  trans-86.7110.1167-160.6176.6176.1179.8-9.4108.6E88 E92E88-R90 PolarHBondContact O-N 2.9Å; R90-E92 VanDerWaalsContact CD-OE1 3.25Å; R90-E92 WeakPolarHBondContact CD-OE1 3.4Å; R90-E92 HydrophobicContact CG-CG 3.81Å; R90-E92 IonicContact CZ-OE1 3.22Å; R90-E92 IonicContact NE-OE1 2.83Å; R90-E92 PolarHBondContact NE-OE1 3.24Å; R90-E92 IonicContact NH1-OE1 2.83Å; R90-E92 IonicContact NH2-OE1 3.93Å
91I57.2Low48.9Very low54 Ų5496.7 Ų96.728%0.27752%0.521SS..  trans-99.8101.4178-57.5177000106.1V62 Q66 F89 D94V62-I91 HydrophobicContact CB-CD1 3.82Å; V62-I91 HydrophobicContact CG1-CD1 3.38Å; V62-I91 HydrophobicContact CG1-CG2 4.16Å; V62-I91 HydrophobicContact CG2-CD1 3.64Å; Q66-I91 HydrophobicContact CG-CD1 4.44Å; F89-I91 PolarHBondContact O-N 2.99Å; I91-D94 WeakPolarHBondContact CG2-OD1 3.35Å
92E54.5Low50.5Low87 Ų8791.5 Ų91.541%0.40749%0.485SS..  trans-89.6-19.7-168.2-67.8-172.1147.700113.9R90 M378R90-E92 VanDerWaalsContact CD-OE1 3.25Å; R90-E92 WeakPolarHBondContact CD-OE1 3.4Å; R90-E92 HydrophobicContact CG-CG 3.81Å; R90-E92 IonicContact CZ-OE1 3.22Å; R90-E92 IonicContact NE-OE1 2.83Å; R90-E92 PolarHBondContact NE-OE1 3.24Å; R90-E92 IonicContact NH1-OE1 2.83Å; R90-E92 IonicContact NH2-OE1 3.93Å; E92-M378 WeakPolarHBondContact OE2-CG 3.42Å
93D55.5Low51.7Low127 Ų12795.5 Ų95.568%0.67950%0.496SS*.  trans-155.7101.8-177.6-110.2-37.7000113.6C95D93-C95 VanDerWaalsContact C-N 3.26Å; D93-C95 PolarHBondContact O-N 3.44Å; D93-C95 VanDerWaalsContact O-N 3.13Å
94D57.7Low52.9Low60 Ų6091.3 Ų91.332%0.32148%0.484SS..  trans-90.258.4178.1-88.42.9000110.9I91 W96I91-D94 WeakPolarHBondContact CG2-OD1 3.35Å; D94-W96 PolarHBondContact O-N 3.15Å; D94-W96 WeakPolarHBondContact OD1-CZ2 3.41Å; D94-W96 PolarHBondContact OD1-NE1 3.17Å; D94-W96 PolarHBondContact OD2-NE1 3.07Å; D94-W96 VanDerWaalsContact OD2-NE1 3.08Å
95C59.8Low54.1Low66 Ų6690.9 Ų90.945%0.44648%0.481SS..  trans-72.934.3176.4-78.70000113.6D93 N97 L98D93-C95 VanDerWaalsContact C-N 3.26Å; D93-C95 PolarHBondContact O-N 3.44Å; D93-C95 VanDerWaalsContact O-N 3.13Å; C95-N97 PolarHBondContact O-N 3.39Å; C95-L98 HydrophobicContact CB-CD1 3.7Å; C95-L98 HydrophobicContact CB-CG 4.13Å; C95-L98 WeakPolarHBondContact O-CB 3.46Å; C95-L98 PolarHBondContact O-N 2.96Å
96W65.2Low55Low53 Ų5387.7 Ų87.720%0.20146%0.464CS..G310 helixtrans-54.4-32.1-174.6-55.3114.6000113.5F55 M58 Q59 V62 D94 L98 V99F55-W96 HydrophobicContact CE1-CE3 4.09Å; F55-W96 AromaticContact CE2-CE3 3.74Å; F55-W96 HydrophobicContact CE2-CE3 3.74Å; F55-W96 HydrophobicContact CE2-CZ3 4.11Å; F55-W96 HydrophobicContact CZ-CB 4.19Å; F55-W96 HydrophobicContact CZ-CD2 4.34Å; F55-W96 AromaticContact CZ-CE3 3.46Å; F55-W96 HydrophobicContact CZ-CE3 3.46Å; F55-W96 VanDerWaalsContact CZ-CE3 3.46Å; F55-W96 HydrophobicContact CZ-CZ3 4.25Å; M58-W96 HydrophobicContact CG-CH2 3.81Å; M58-W96 HydrophobicContact CG-CZ3 4.33Å; M58-W96 HydrophobicContact SD-CH2 3.8Å; M58-W96 HydrophobicContact SD-CZ3 4.04Å; Q59-W96 HydrophobicContact CG-CD2 3.65Å; Q59-W96 HydrophobicContact CG-CE3 3.75Å; Q59-W96 HydrophobicContact CG-CG 4.12Å; Q59-W96 HydrophobicContact CG-CH2 4.37Å; Q59-W96 HydrophobicContact CG-CZ2 4.28Å; Q59-W96 HydrophobicContact CG-CZ3 4.1Å; Q59-W96 VanDerWaalsContact NE2-CB 3.28Å; Q59-W96 VanDerWaalsContact NE2-CG 3.31Å; V62-W96 HydrophobicContact CB-CZ2 4.41Å; V62-W96 HydrophobicContact CG1-CZ2 4.33Å; V62-W96 HydrophobicContact CG2-CH2 4.45Å; V62-W96 HydrophobicContact CG2-CZ2 4.11Å; D94-W96 PolarHBondContact O-N 3.15Å; D94-W96 WeakPolarHBondContact OD1-CZ2 3.41Å; D94-W96 PolarHBondContact OD1-NE1 3.17Å; D94-W96 PolarHBondContact OD2-NE1 3.07Å; D94-W96 VanDerWaalsContact OD2-NE1 3.08Å; W96-L98 PolarHBondContact O-N 3.04Å; W96-V99 PolarHBondContact O-N 3.35Å
97N61.2Low55.7Low154 Ų15483.6 Ų83.682%0.82444%0.444SS*.G310 helixtrans-69-17.4-178.3-65.3-30.8000113.7C95 V99C95-N97 PolarHBondContact O-N 3.39Å; N97-V99 PolarHBondContact O-N 3.24Å
98L60.8Low56.1Low136 Ų13680.9 Ų80.971%0.71243%0.428SS*.G310 helixtrans-75.2-10.9178.8-63.1-178.9000113C95 W96 P100C95-L98 HydrophobicContact CB-CD1 3.7Å; C95-L98 HydrophobicContact CB-CG 4.13Å; C95-L98 WeakPolarHBondContact O-CB 3.46Å; C95-L98 PolarHBondContact O-N 2.96Å; W96-L98 PolarHBondContact O-N 3.04Å; L98-P100 VanDerWaalsContact C-CD 3.41Å; L98-P100 WeakPolarHBondContact O-CD 3.44Å
99V63.2Low56.5Low53 Ų5372.5 Ų72.532%0.32139%0.39SS..  trans-125.364.7-176.8-154.10000111.7W96 N97 G101 A102 L323W96-V99 PolarHBondContact O-N 3.35Å; N97-V99 PolarHBondContact O-N 3.24Å; V99-G101 PolarHBondContact O-N 2.88Å; V99-G101 VanDerWaalsContact O-N 3.09Å; V99-A102 HydrophobicContact CB-CB 3.96Å; V99-A102 HydrophobicContact CG1-CB 3.59Å; V99-A102 WeakPolarHBondContact O-CB 3.42Å; V99-A102 PolarHBondContact O-N 2.81Å; V99-L323 HydrophobicContact CG2-CD1 4.15Å
100P55.3Low56.8Low111 Ų11170.4 Ų70.472%0.72138%0.381SS*.G310 helixtrans-62-22.6-175.923.2-32.3000113.8L98L98-P100 VanDerWaalsContact C-CD 3.41Å; L98-P100 WeakPolarHBondContact O-CD 3.44Å
101G57.2Low56.6Low62 Ų6261.8 Ų61.864%0.63935%0.349SS*.G310 helixtrans-84.6-1.6175.300000115.3V99 K103V99-G101 PolarHBondContact O-N 2.88Å; V99-G101 VanDerWaalsContact O-N 3.09Å; G101-K103 PolarHBondContact O-N 3.05Å
102A57.7Low55.8Low2 Ų259.6 Ų59.62%0.01734%0.338CS..G310 helixtrans-77.3-5.1-17800000114.6F55 V99 G104 M105F55-A102 HydrophobicContact CB-CB 4.42Å; F55-A102 VanDerWaalsContact CB-O 3.3Å; F55-A102 WeakPolarHBondContact CB-O 3.48Å; F55-A102 HydrophobicContact CD1-CB 4.3Å; F55-A102 HydrophobicContact CD2-CB 3.35Å; F55-A102 HydrophobicContact CE1-CB 4.4Å; F55-A102 HydrophobicContact CE2-CB 3.55Å; F55-A102 HydrophobicContact CG-CB 3.79Å; F55-A102 HydrophobicContact CZ-CB 4.06Å; V99-A102 HydrophobicContact CB-CB 3.96Å; V99-A102 HydrophobicContact CG1-CB 3.59Å; V99-A102 WeakPolarHBondContact O-CB 3.42Å; V99-A102 PolarHBondContact O-N 2.81Å; A102-G104 PolarHBondContact O-N 3.13Å; A102-M105 HydrophobicContact CB-SD 4.23Å; A102-M105 VanDerWaalsContact O-CB 3.28Å; A102-M105 WeakPolarHBondContact O-CB 3.39Å; A102-M105 WeakPolarHBondContact O-CG 3.45Å; A102-M105 PolarHBondContact O-N 3.35Å
103K54.6Low55Low167 Ų16758.2 Ų58.273%0.72633%0.333SS*.THydrogen-bonded Turntrans-59.4125.5178.8-73.7-174.2177.3-179.50111.2E56 G101 M105E56-K103 VanDerWaalsContact OE1-C 3.32Å; E56-K103 WeakPolarHBondContact OE1-CA 3.36Å; E56-K103 WeakPolarHBondContact OE1-CB 3.33Å; G101-K103 PolarHBondContact O-N 3.05Å; K103-M105 VanDerWaalsContact C-N 3.27Å; K103-M105 PolarHBondContact O-N 3.08Å
104G52.6Low53.8Low37 Ų3756.1 Ų56.138%0.38132%0.322SS..THydrogen-bonded Turntrans78.4-0.9-175.800000115.4E56 A102E56-G104 PolarHBondContact OE1-N 2.81Å; E56-G104 PolarHBondContact OE2-N 3.43Å; A102-G104 PolarHBondContact O-N 3.13Å
105M59.2Low52.8Low68 Ų6858.4 Ų58.434%0.33533%0.329SS..  trans-74.3134.2172.6-60.4-171.992.500109.6T54 F55 A102 K103 I107 C363T54-M105 CarbonylContact C-O 3.44Å; T54-M105 WeakPolarHBondContact CA-O 3.38Å; F55-M105 PolarHBondContact N-O 2.87Å; A102-M105 HydrophobicContact CB-SD 4.23Å; A102-M105 VanDerWaalsContact O-CB 3.28Å; A102-M105 WeakPolarHBondContact O-CB 3.39Å; A102-M105 WeakPolarHBondContact O-CG 3.45Å; A102-M105 PolarHBondContact O-N 3.35Å; K103-M105 VanDerWaalsContact C-N 3.27Å; K103-M105 PolarHBondContact O-N 3.08Å; M105-I107 PolarHBondContact O-N 3.19Å; M105-C363 HydrophobicContact CB-CB 4.26Å; M105-C363 VanDerWaalsContact CE-CA 3.46Å; M105-C363 HydrophobicContact CE-CB 3.39Å; M105-C363 HydrophobicContact SD-CB 3.8Å
106L55.9Low51.6Low34 Ų3459.9 Ų59.918%0.17834%0.336CS..EExtended strand (participates in β ladder)trans-68.5115.7167.4-82.1160.2000108.4T54 Y241 R360 T362 C363T54-L106 HydrophobicContact CG2-CD2 4.23Å; L106-Y241 HydrophobicContact CD1-CD1 3.83Å; L106-R360 WeakPolarHBondContact CD1-O 3.46Å; L106-T362 HydrophobicContact CB-CG2 4.08Å; L106-T362 WeakPolarHBondContact O-CA 3.17Å; L106-C363 PolarHBondContact O-N 3.27Å
107I59.6Low50.3Low2 Ų261.8 Ų61.81%0.0135%0.35CS..EExtended strand (participates in β ladder)trans-94.6108.2160.2-57.4-179.4000105.9F53 F55 M58 M105 A109 I321 L323F53-I107 CarbonylContact C-O 3.45Å; F53-I107 PolarHBondContact N-O 3.44Å; F53-I107 CarbonylContact O-C 3.56Å; F53-I107 VanDerWaalsContact O-C 3.23Å; F53-I107 PolarHBondContact O-N 3.25Å; F55-I107 HydrophobicContact CB-CD1 4.15Å; F55-I107 HydrophobicContact CB-CG1 4.3Å; F55-I107 HydrophobicContact CD2-CD1 3.24Å; F55-I107 HydrophobicContact CD2-CG1 4.05Å; F55-I107 HydrophobicContact CE2-CD1 3.93Å; F55-I107 HydrophobicContact CG-CD1 4.04Å; M58-I107 HydrophobicContact CE-CB 3.8Å; M58-I107 HydrophobicContact CE-CD1 4.43Å; M58-I107 HydrophobicContact CE-CG2 3.28Å; M58-I107 HydrophobicContact SD-CB 4.18Å; M58-I107 HydrophobicContact SD-CD1 3.69Å; M58-I107 HydrophobicContact SD-CG2 3.88Å; M105-I107 PolarHBondContact O-N 3.19Å; I107-A109 PolarHBondContact O-N 2.91Å; I107-I321 HydrophobicContact CG2-CG2 3.8Å; I107-L323 HydrophobicContact CD1-CD1 4.12Å; I107-L323 HydrophobicContact CD1-CD2 4.24Å; I107-L323 HydrophobicContact CG1-CD2 4.35Å
108T53.4Low49.7Very low0 Ų059.3 Ų59.30%033%0.33CS..  trans-66.690.1171.2-41.40000109.1S52 F110 T362S52-T108 VanDerWaalsContact OG-CG2 3.29Å; S52-T108 WeakPolarHBondContact OG-CG2 3.05Å; T108-F110 VanDerWaalsContact C-N 3.3Å; T108-F110 VanDerWaalsContact CB-CE2 3.47Å; T108-F110 HydrophobicContact CG2-CD1 4.42Å; T108-F110 HydrophobicContact CG2-CD2 3.83Å; T108-F110 HydrophobicContact CG2-CE1 3.85Å; T108-F110 HydrophobicContact CG2-CE2 3.12Å; T108-F110 HydrophobicContact CG2-CG 4.43Å; T108-F110 HydrophobicContact CG2-CZ 3.15Å; T108-F110 WeakPolarHBondContact O-CD2 3.37Å; T108-F110 PolarHBondContact O-N 3.26Å; T108-T362 WeakPolarHBondContact OG1-CG2 3.12Å
109A49.7Very low49.3Very low4 Ų453.2 Ų53.23%0.03330%0.298CS..  trans-76.180.417800000108.5F53 M58 I107 I111F53-A109 HydrophobicContact CB-CB 4.18Å; F53-A109 HydrophobicContact CD2-CB 3.29Å; F53-A109 HydrophobicContact CE2-CB 4.01Å; F53-A109 HydrophobicContact CG-CB 4.13Å; M58-A109 HydrophobicContact CE-CB 3.17Å; I107-A109 PolarHBondContact O-N 2.91Å; A109-I111 PolarHBondContact O-N 3.1Å
110F54.3Low49.4Very low7 Ų751.4 Ų51.43%0.03129%0.286CS..  trans-67.3112.9174.9-67.8-81.9000108.4T108 Q120 W238 C243 R319 I367T108-F110 VanDerWaalsContact C-N 3.3Å; T108-F110 VanDerWaalsContact CB-CE2 3.47Å; T108-F110 HydrophobicContact CG2-CD1 4.42Å; T108-F110 HydrophobicContact CG2-CD2 3.83Å; T108-F110 HydrophobicContact CG2-CE1 3.85Å; T108-F110 HydrophobicContact CG2-CE2 3.12Å; T108-F110 HydrophobicContact CG2-CG 4.43Å; T108-F110 HydrophobicContact CG2-CZ 3.15Å; T108-F110 WeakPolarHBondContact O-CD2 3.37Å; T108-F110 PolarHBondContact O-N 3.26Å; F110-Q120 HydrophobicContact CE1-CB 4.49Å; F110-W238 HydrophobicContact CE1-CH2 4.39Å; F110-W238 AromaticContact CE2-CH2 3.47Å; F110-W238 HydrophobicContact CE2-CH2 3.47Å; F110-W238 VanDerWaalsContact CE2-CH2 3.47Å; F110-W238 HydrophobicContact CE2-CZ2 4.24Å; F110-W238 HydrophobicContact CE2-CZ3 4.31Å; F110-W238 AromaticContact CZ-CH2 3.2Å; F110-W238 HydrophobicContact CZ-CH2 3.2Å; F110-W238 AromaticContact CZ-CZ2 3.97Å; F110-W238 HydrophobicContact CZ-CZ2 3.97Å; F110-W238 AromaticContact CZ-CZ3 3.77Å; F110-W238 HydrophobicContact CZ-CZ3 3.77Å; F110-C243 HydrophobicContact CE1-CB 3.69Å; F110-C243 VanDerWaalsContact CE1-SG 3.55Å; F110-R319 VanDerWaalsContact C-NH1 3.3Å; F110-R319 WeakPolarHBondContact O-CD 3.35Å; F110-R319 PolarHBondContact O-NE 2.81Å; F110-R319 PolarHBondContact O-NH1 3.21Å; F110-I367 HydrophobicContact CD2-CD1 3.39Å; F110-I367 HydrophobicContact CD2-CG1 4.14Å; F110-I367 HydrophobicContact CD2-CG2 4.38Å; F110-I367 HydrophobicContact CE2-CD1 3.27Å; F110-I367 HydrophobicContact CE2-CG1 4.45Å
111I44.6Very low50.4Low13 Ų1347 Ų477%0.06726%0.257CS..  trans-104.733.7166.6-53.9159.3000108.8F49 F53 W61 F89 A109 I113 R319F49-I111 CarbonylContact C-O 3.6Å; F49-I111 VanDerWaalsContact CB-O 3.27Å; F49-I111 WeakPolarHBondContact CB-O 3.27Å; F49-I111 HydrophobicContact CD1-CB 4.48Å; F49-I111 HydrophobicContact CD1-CG2 3.67Å; F49-I111 HydrophobicContact CE1-CG2 4.42Å; F49-I111 HydrophobicContact CG-CG2 4.49Å; F49-I111 CarbonylContact O-C 3.5Å; F49-I111 WeakPolarHBondContact O-CA 3.49Å; F49-I111 WeakPolarHBondContact O-CB 3.5Å; F49-I111 PolarHBondContact O-N 3.16Å; F53-I111 HydrophobicContact CE2-CD1 3.87Å; W61-I111 HydrophobicContact CD2-CD1 4.22Å; W61-I111 VanDerWaalsContact CE2-CD1 3.49Å; W61-I111 HydrophobicContact CH2-CD1 3.66Å; W61-I111 HydrophobicContact CH2-CG1 4.29Å; W61-I111 HydrophobicContact CZ2-CD1 3.22Å; W61-I111 HydrophobicContact CZ2-CG1 4.25Å; W61-I111 HydrophobicContact CZ3-CD1 4.28Å; F89-I111 HydrophobicContact CE1-CG2 3.56Å; F89-I111 HydrophobicContact CZ-CG2 3.43Å; F89-I111 VanDerWaalsContact CZ-CG2 3.43Å; A109-I111 PolarHBondContact O-N 3.1Å; I111-I113 HydrophobicContact CG2-CD1 4.26Å; I111-I113 PolarHBondContact O-N 3.38Å; I111-R319 VanDerWaalsContact C-NH1 3.26Å
112C39.8Very low51.7Low8 Ų844.8 Ų44.85%0.05423%0.23CC..  trans-63123175.3-168.40000111.4F49 R319F49-C112 PolarHBondContact O-N 3.44Å; C112-R319 VanDerWaalsContact O-CZ 3.28Å; C112-R319 PolarHBondContact O-NH1 3.35Å; C112-R319 PolarHBondContact O-NH2 2.98Å
113I37.2Very low53.1Low58 Ų5846.1 Ų46.130%0.29724%0.235SC..  trans-106.23.4177.9-69146.2000111.7F49 V87 I111 F317F49-I113 HydrophobicContact CB-CD1 4.26Å; F49-I113 HydrophobicContact CD1-CD1 3.45Å; F49-I113 VanDerWaalsContact CD1-CD1 3.45Å; F49-I113 HydrophobicContact CD2-CD1 3.77Å; F49-I113 HydrophobicContact CE1-CD1 3.57Å; F49-I113 HydrophobicContact CE2-CD1 3.88Å; F49-I113 HydrophobicContact CG-CD1 3.56Å; F49-I113 HydrophobicContact CZ-CD1 3.79Å; V87-I113 HydrophobicContact CB-CD1 4.27Å; V87-I113 HydrophobicContact CG1-CD1 4.12Å; V87-I113 HydrophobicContact CG1-CG1 4.33Å; V87-I113 HydrophobicContact CG2-CD1 3.3Å; V87-I113 HydrophobicContact CG2-CG1 4.12Å; I111-I113 HydrophobicContact CG2-CD1 4.26Å; I111-I113 PolarHBondContact O-N 3.38Å; I113-F317 WeakPolarHBondContact O-CE2 3.47Å
114D31.3Very low54.8Low84 Ų8438.2 Ų38.245%0.44920%0.201SC..  trans-87.9138.3-174.9-80.4-41000113.9V116D114-V116 PolarHBondContact O-N 3.38Å
115K37Very low56.5Low107 Ų10736.8 Ų36.847%0.46519%0.187SC..SBendtrans-58.1-2172.4-67.5-178.5-178.6-154.70114.6S312 E315 F317K115-S312 PolarHBondContact NZ-OG 3.47Å; K115-E315 WeakPolarHBondContact CE-OE2 3.26Å; K115-E315 IonicContact NZ-OE1 2.75Å; K115-E315 PolarHBondContact NZ-OE1 3.4Å; K115-E315 IonicContact NZ-OE2 3.87Å; K115-E315 PolarHBondContact NZ-OE2 3.44Å; K115-F317 HydrophobicContact CB-CZ 4.16Å; K115-F317 HydrophobicContact CG-CE2 4.17Å; K115-F317 HydrophobicContact CG-CZ 3.69Å
116V33.5Very low57.9Low98 Ų9833.7 Ų33.759%0.59417%0.172SC*.SBendtrans-123.3108.6-169.6-169.10000107.7D114D114-V116 PolarHBondContact O-N 3.38Å
117D39.3Very low59.4Low92 Ų9236.5 Ų36.549%0.49219%0.191SC..  trans83.287.4171-55.2-30.3000116.5V119D117-V119 PolarHBondContact O-N 2.96Å
118Y47.7Very low60.7Low102 Ų10239 Ų3940%0.421%0.209SC..SBendtrans-45.5128.4160.9-54.9-89.5000111.1L346 P371Y118-L346 HydrophobicContact CD1-CB 4.2Å; Y118-L346 HydrophobicContact CD1-CD2 3.42Å; Y118-L346 VanDerWaalsContact CD1-CD2 3.42Å; Y118-L346 HydrophobicContact CD1-CG 4.42Å; Y118-L346 HydrophobicContact CD2-CD2 3.57Å; Y118-L346 HydrophobicContact CE1-CB 4.11Å; Y118-L346 HydrophobicContact CE1-CD2 3.97Å; Y118-L346 HydrophobicContact CE2-CD2 4.09Å; Y118-L346 HydrophobicContact CG-CD2 3.21Å; Y118-P371 HydrophobicContact CE1-CB 4.04Å; Y118-P371 HydrophobicContact CE1-CG 4.38Å
119V52.8Low62.5Low8 Ų839.5 Ų39.55%0.04821%0.211CC..THydrogen-bonded Turntrans3299.6-178.5175.80000112D117 L121 W238 S348 F350 I367D117-V119 PolarHBondContact O-N 2.96Å; V119-L121 WeakPolarHBondContact O-CG 3.38Å; V119-L121 PolarHBondContact O-N 3.01Å; V119-W238 HydrophobicContact CG1-CZ3 4.14Å; V119-S348 WeakPolarHBondContact CG2-O 3.34Å; V119-F350 HydrophobicContact CG1-CB 4.35Å; V119-I367 HydrophobicContact CG2-CG2 3.92Å
120Q65.1Low64.5Low16 Ų1642 Ų428%0.07522%0.224CC..THydrogen-bonded Turntrans-53.366.8-166.5-67.4169.518.200115.4W50 F110 C243W50-Q120 VanDerWaalsContact CE3-OE1 3.25Å; W50-Q120 HydrophobicContact CZ3-CG 4.02Å; F110-Q120 HydrophobicContact CE1-CB 4.49Å; Q120-C243 HydrophobicContact CB-CB 4.36Å; Q120-C243 WeakPolarHBondContact CB-SG 3.1Å; Q120-C243 PolarHBondContact OE1-SG 2.86Å
121L76.8Confident66.3Low19 Ų1945.1 Ų45.110%0.09924%0.241CC..PPolyproline II helixtrans-79.8130.7166.7-69.9-176.8000106.7V119 V146 F236 W238 F338V119-L121 WeakPolarHBondContact O-CG 3.38Å; V119-L121 PolarHBondContact O-N 3.01Å; L121-V146 HydrophobicContact CD1-CG2 4.24Å; L121-V146 HydrophobicContact CD2-CG2 3.47Å; L121-V146 VanDerWaalsContact CD2-CG2 3.47Å; L121-V146 HydrophobicContact CG-CG2 4.45Å; L121-F236 HydrophobicContact CB-CB 4.11Å; L121-F236 HydrophobicContact CB-CD1 3.92Å; L121-F236 HydrophobicContact CB-CG 4.24Å; L121-F236 HydrophobicContact CD1-CB 4.1Å; L121-F236 HydrophobicContact CD1-CD1 4.22Å; L121-F236 HydrophobicContact CD1-CD2 4.33Å; L121-F236 HydrophobicContact CD1-CG 3.97Å; L121-F236 HydrophobicContact CD2-CB 4.47Å; L121-F236 HydrophobicContact CG-CB 4.46Å; L121-W238 HydrophobicContact CD2-CE3 3.98Å; L121-F338 HydrophobicContact CD1-CB 3.88Å; L121-F338 HydrophobicContact CD1-CD2 3.54Å; L121-F338 HydrophobicContact CD1-CE2 4.21Å; L121-F338 HydrophobicContact CD1-CG 3.77Å
122I83.1Confident68.6Low14 Ų1445 Ų457%0.07224%0.24CC..EExtended strand (participates in β ladder)trans-94.4127177.9-67.8161.7000108A124 T129 L132 F143 F236 L237 L246I122-A124 PolarHBondContact O-N 3.14Å; I122-T129 WeakPolarHBondContact CG2-OG1 3.3Å; I122-L132 HydrophobicContact CD1-CD1 4.09Å; I122-F143 HydrophobicContact CD1-CD1 4.39Å; I122-F143 HydrophobicContact CD1-CE1 3.6Å; I122-F143 HydrophobicContact CD1-CZ 4.4Å; I122-F236 CarbonylContact O-C 3.59Å; I122-F236 WeakPolarHBondContact O-CA 3.47Å; I122-L237 HydrophobicContact CB-CB 4.32Å; I122-L237 PolarHBondContact N-O 2.83Å; I122-L237 PolarHBondContact O-N 2.91Å; I122-L246 HydrophobicContact CD1-CD1 3.94Å; I122-L246 HydrophobicContact CD1-CD2 4.29Å
123F87.9Confident71.2Confident30 Ų3048.7 Ų48.713%0.13226%0.258CS..EExtended strand (participates in β ladder)trans-64.4119.4171.4-79.9-84.6000110.5G125 G126 T129 K222 I223 S235 F236F123-G125 PolarHBondContact O-N 3.16Å; F123-G125 VanDerWaalsContact O-N 3.14Å; F123-G126 PolarHBondContact O-N 3.2Å; F123-T129 PolarHBondContact O-OG1 3.48Å; F123-K222 HydrophobicContact CB-CD 4.34Å; F123-K222 HydrophobicContact CB-CG 4.32Å; F123-K222 HydrophobicContact CD1-CD 4.11Å; F123-K222 HydrophobicContact CD1-CG 3.9Å; F123-K222 HydrophobicContact CD2-CD 3.77Å; F123-K222 HydrophobicContact CD2-CG 4.43Å; F123-K222 HydrophobicContact CE1-CD 4.31Å; F123-K222 HydrophobicContact CE1-CG 4.27Å; F123-K222 HydrophobicContact CE2-CD 3.97Å; F123-K222 HydrophobicContact CG-CD 3.8Å; F123-K222 VanDerWaalsContact CG-CE 3.46Å; F123-K222 HydrophobicContact CG-CG 3.97Å; F123-K222 HydrophobicContact CZ-CD 4.23Å; F123-I223 HydrophobicContact CE1-CG1 3.69Å; F123-I223 HydrophobicContact CZ-CG1 4.38Å; F123-S235 WeakPolarHBondContact CA-O 3.44Å; F123-F236 HydrophobicContact CD1-CD1 4.21Å; F123-F236 AromaticContact CD1-CE1 3.88Å; F123-F236 HydrophobicContact CD1-CE1 3.88Å; F123-F236 HydrophobicContact CD2-CE1 4.46Å; F123-F236 HydrophobicContact CE1-CD1 4.19Å; F123-F236 AromaticContact CE1-CE1 3.41Å; F123-F236 HydrophobicContact CE1-CE1 3.41Å; F123-F236 VanDerWaalsContact CE1-CE1 3.41Å; F123-F236 AromaticContact CE1-CZ 3.99Å; F123-F236 HydrophobicContact CE1-CZ 3.99Å; F123-F236 HydrophobicContact CE2-CE1 4.08Å; F123-F236 HydrophobicContact CG-CE1 4.39Å; F123-F236 HydrophobicContact CZ-CD1 4.49Å; F123-F236 AromaticContact CZ-CE1 3.55Å; F123-F236 HydrophobicContact CZ-CE1 3.55Å; F123-F236 HydrophobicContact CZ-CZ 4.24Å
124A91Very high73.9Confident1 Ų156.1 Ų56.11%0.00828%0.283CS..THydrogen-bonded Turntrans-54.9-36.8-176.600000113.4I122 T129 T229 F230 S235 L237I122-A124 PolarHBondContact O-N 3.14Å; A124-T129 WeakPolarHBondContact O-CG2 3.27Å; A124-T229 HydrophobicContact CB-CG2 4.36Å; A124-F230 HydrophobicContact CB-CD2 4.16Å; A124-F230 HydrophobicContact CB-CE2 4.5Å; A124-F230 WeakPolarHBondContact O-CE2 3.5Å; A124-S235 PolarHBondContact N-O 3.39Å; A124-L237 HydrophobicContact CB-CD1 4.16Å; A124-L237 HydrophobicContact CB-CG 3.99Å
125G88.2Confident76.9Confident8 Ų854 Ų548%0.08227%0.274CS..THydrogen-bonded Turntrans-104.221.717700000113.8F123 K225 S226F123-G125 PolarHBondContact O-N 3.16Å; F123-G125 VanDerWaalsContact O-N 3.14Å; G125-K225 WeakPolarHBondContact O-CD 3.32Å; G125-K225 WeakPolarHBondContact O-CE 3.2Å; G125-K225 PolarHBondContact O-NZ 3.47Å; G125-S226 WeakPolarHBondContact CA-OG 3.46Å; G125-S226 VanDerWaalsContact N-CB 3.32Å; G125-S226 PolarHBondContact N-OG 3.01Å
126G87.1Confident79.6Confident3 Ų349.9 Ų49.93%0.03126%0.262CS..SBendtrans-96.4167.6-175.700000114.5F123 S128 T129 D130F123-G126 PolarHBondContact O-N 3.2Å; G126-S128 VanDerWaalsContact C-N 3.27Å; G126-S128 PolarHBondContact O-N 2.86Å; G126-T129 PolarHBondContact O-N 2.92Å; G126-T129 VanDerWaalsContact O-N 3.16Å; G126-D130 PolarHBondContact O-N 2.61Å; G126-D130 VanDerWaalsContact O-N 3.1Å
127T88.4Confident82.5Confident93 Ų9345.2 Ų45.257%0.57123%0.234SC*.Hα-helixtrans-56.7-37.4179.1-46.20000113.1T129 D130 I131T127-T129 VanDerWaalsContact C-N 3.35Å; T127-T129 PolarHBondContact O-N 3.08Å; T127-D130 WeakPolarHBondContact O-CB 3.33Å; T127-D130 PolarHBondContact O-N 2.77Å; T127-I131 HydrophobicContact CG2-CD1 4.06Å; T127-I131 HydrophobicContact CG2-CG1 4.43Å; T127-I131 VanDerWaalsContact O-CG1 3.32Å; T127-I131 WeakPolarHBondContact O-CG1 3.44Å; T127-I131 PolarHBondContact O-N 2.83Å
128S87.7Confident85Confident55 Ų5542.9 Ų42.939%0.38523%0.225SC..Hα-helixtrans-62-42.8179.2-44.30000111.6G126 I131 L132G126-S128 VanDerWaalsContact C-N 3.27Å; G126-S128 PolarHBondContact O-N 2.86Å; S128-I131 PolarHBondContact O-N 3Å; S128-L132 WeakPolarHBondContact O-CG 3.38Å; S128-L132 PolarHBondContact O-N 3.04Å
129T90.8Very high87.2Confident9 Ų945.6 Ų45.66%0.05524%0.241CC..Hα-helixtrans-65.2-41.6173.6-57.10000111.8I122 F123 A124 G126 T127 I131 L132 I133 F230I122-T129 WeakPolarHBondContact CG2-OG1 3.3Å; F123-T129 PolarHBondContact O-OG1 3.48Å; A124-T129 WeakPolarHBondContact O-CG2 3.27Å; G126-T129 PolarHBondContact O-N 2.92Å; G126-T129 VanDerWaalsContact O-N 3.16Å; T127-T129 VanDerWaalsContact C-N 3.35Å; T127-T129 PolarHBondContact O-N 3.08Å; T129-I131 VanDerWaalsContact C-N 3.28Å; T129-I131 PolarHBondContact O-N 3.26Å; T129-L132 PolarHBondContact O-N 2.84Å; T129-I133 HydrophobicContact CG2-CD1 3.9Å; T129-I133 HydrophobicContact CG2-CG1 4.45Å; T129-I133 WeakPolarHBondContact O-CG1 3.08Å; T129-I133 PolarHBondContact O-N 3.28Å; T129-F230 HydrophobicContact CG2-CE2 3.87Å; T129-F230 HydrophobicContact CG2-CZ 4.14Å
130D91.5Very high89.1Confident57 Ų5749.1 Ų49.131%0.30525%0.254SS..Hα-helixtrans-59-40.5175.2-69.6-27.5000111.5G126 T127 R134G126-D130 PolarHBondContact O-N 2.61Å; G126-D130 VanDerWaalsContact O-N 3.1Å; T127-D130 WeakPolarHBondContact O-CB 3.33Å; T127-D130 PolarHBondContact O-N 2.77Å; D130-R134 VanDerWaalsContact O-CB 3.27Å; D130-R134 WeakPolarHBondContact O-CB 3.45Å; D130-R134 WeakPolarHBondContact O-CG 3.37Å; D130-R134 PolarHBondContact O-N 3.4Å
131I91.7Very high90.3Very high73 Ų7348.7 Ų48.737%0.37425%0.253SS..Hα-helixtrans-65.7-46.2176.4-69.3166.1000110.7T127 S128 T129 I133 R134 S135 F250T127-I131 HydrophobicContact CG2-CD1 4.06Å; T127-I131 HydrophobicContact CG2-CG1 4.43Å; T127-I131 VanDerWaalsContact O-CG1 3.32Å; T127-I131 WeakPolarHBondContact O-CG1 3.44Å; T127-I131 PolarHBondContact O-N 2.83Å; S128-I131 PolarHBondContact O-N 3Å; T129-I131 VanDerWaalsContact C-N 3.28Å; T129-I131 PolarHBondContact O-N 3.26Å; I131-I133 VanDerWaalsContact C-N 3.31Å; I131-I133 PolarHBondContact O-N 3.46Å; I131-R134 PolarHBondContact O-N 3.2Å; I131-S135 WeakPolarHBondContact O-CB 3.46Å; I131-S135 PolarHBondContact O-N 3.42Å; I131-S135 PolarHBondContact O-OG 3.08Å; I131-F250 HydrophobicContact CG2-CE1 4.46Å; I131-F250 HydrophobicContact CG2-CZ 4.15Å
132L93.2Very high90.9Very high9 Ų953.7 Ų53.75%0.04728%0.276CS..Hα-helixtrans-57.3-43.8177.7-73.7166.3000111.9I122 S128 T129 S135 G136 V137 S138 F143 L246 F250I122-L132 HydrophobicContact CD1-CD1 4.09Å; S128-L132 WeakPolarHBondContact O-CG 3.38Å; S128-L132 PolarHBondContact O-N 3.04Å; T129-L132 PolarHBondContact O-N 2.84Å; L132-S135 PolarHBondContact O-OG 3.45Å; L132-G136 PolarHBondContact O-N 2.87Å; L132-V137 HydrophobicContact CD2-CB 4.29Å; L132-V137 HydrophobicContact CD2-CG1 3.89Å; L132-V137 PolarHBondContact O-N 2.8Å; L132-S138 PolarHBondContact O-N 3.13Å; L132-F143 HydrophobicContact CD1-CE1 4.32Å; L132-F143 HydrophobicContact CD1-CZ 3.73Å; L132-L246 HydrophobicContact CD1-CD2 4.29Å; L132-L246 HydrophobicContact CD2-CD2 3.99Å; L132-F250 HydrophobicContact CD2-CE2 3.73Å; L132-F250 HydrophobicContact CD2-CZ 3.9Å
133I94Very high91.1Very high87 Ų8756 Ų5645%0.44629%0.285SS..Hα-helixtrans-68.7-51.4178.1-65.2168.6000110.9T129 I131 S135 G136 F230T129-I133 HydrophobicContact CG2-CD1 3.9Å; T129-I133 HydrophobicContact CG2-CG1 4.45Å; T129-I133 WeakPolarHBondContact O-CG1 3.08Å; T129-I133 PolarHBondContact O-N 3.28Å; I131-I133 VanDerWaalsContact C-N 3.31Å; I131-I133 PolarHBondContact O-N 3.46Å; I133-S135 VanDerWaalsContact C-N 3.31Å; I133-S135 PolarHBondContact O-N 2.88Å; I133-G136 PolarHBondContact O-N 2.85Å; I133-G136 VanDerWaalsContact O-N 3.11Å; I133-F230 HydrophobicContact CD1-CZ 4.09Å
134R94.4Very high90.9Very high214 Ų21456.2 Ų56.281%0.80829%0.286SS*.Hα-helixtrans-66.1-32.2-175.6-73175.4-179-171.41.3113.2D130 I131 G136D130-R134 VanDerWaalsContact O-CB 3.27Å; D130-R134 WeakPolarHBondContact O-CB 3.45Å; D130-R134 WeakPolarHBondContact O-CG 3.37Å; D130-R134 PolarHBondContact O-N 3.4Å; I131-R134 PolarHBondContact O-N 3.2Å; R134-G136 VanDerWaalsContact C-N 3.29Å
135S93Very high90.6Very high38 Ų3857.9 Ų57.927%0.26630%0.298SS..Hα-helixtrans-77.5-14.9176.461.80000113.2I131 L132 I133 V137I131-S135 WeakPolarHBondContact O-CB 3.46Å; I131-S135 PolarHBondContact O-N 3.42Å; I131-S135 PolarHBondContact O-OG 3.08Å; L132-S135 PolarHBondContact O-OG 3.45Å; I133-S135 VanDerWaalsContact C-N 3.31Å; I133-S135 PolarHBondContact O-N 2.88Å; S135-V137 PolarHBondContact O-N 2.95Å; S135-V137 WeakPolarHBondContact OG-CB 3.08Å; S135-V137 WeakPolarHBondContact OG-CG2 3.36Å; S135-V137 PolarHBondContact OG-N 3.18Å
136G94Very high90.4Very high21 Ų2157.5 Ų57.522%0.21629%0.294CS..SBendtrans77.8-2.1-172.100000114.1L132 I133 R134 S138 Q139L132-G136 PolarHBondContact O-N 2.87Å; I133-G136 PolarHBondContact O-N 2.85Å; I133-G136 VanDerWaalsContact O-N 3.11Å; R134-G136 VanDerWaalsContact C-N 3.29Å; G136-S138 PolarHBondContact O-N 3.4Å; G136-Q139 WeakPolarHBondContact O-CB 3.33Å; G136-Q139 WeakPolarHBondContact O-CG 3.03Å; G136-Q139 PolarHBondContact O-N 3.24Å
137V94Very high90.2Very high0 Ų059 Ų590%030%0.302CS..G310 helixtrans-65.9-24.3-178.8173.80000112.2L132 S135 Q139 Y140 A249 F250L132-V137 HydrophobicContact CD2-CB 4.29Å; L132-V137 HydrophobicContact CD2-CG1 3.89Å; L132-V137 PolarHBondContact O-N 2.8Å; S135-V137 PolarHBondContact O-N 2.95Å; S135-V137 WeakPolarHBondContact OG-CB 3.08Å; S135-V137 WeakPolarHBondContact OG-CG2 3.36Å; S135-V137 PolarHBondContact OG-N 3.18Å; V137-Q139 PolarHBondContact O-N 3.42Å; V137-Y140 PolarHBondContact O-N 2.89Å; V137-A249 HydrophobicContact CG1-CB 3.58Å; V137-F250 HydrophobicContact CB-CD1 4.47Å; V137-F250 HydrophobicContact CB-CE1 4.17Å; V137-F250 HydrophobicContact CB-CZ 4.23Å; V137-F250 HydrophobicContact CG1-CD1 4.33Å; V137-F250 HydrophobicContact CG1-CD2 4.05Å; V137-F250 HydrophobicContact CG1-CE1 4.28Å; V137-F250 HydrophobicContact CG1-CE2 3.99Å; V137-F250 HydrophobicContact CG1-CG 4.2Å; V137-F250 HydrophobicContact CG1-CZ 4.1Å; V137-F250 HydrophobicContact CG2-CD1 3.72Å; V137-F250 HydrophobicContact CG2-CE1 3.69Å; V137-F250 HydrophobicContact CG2-CG 4.3Å; V137-F250 HydrophobicContact CG2-CZ 4.25Å
138S93.3Very high89.9Confident44 Ų4455.7 Ų55.731%0.30828%0.278SS..G310 helixtrans-58.6-14173.865.20000114.3L132 G136 Y140L132-S138 PolarHBondContact O-N 3.13Å; G136-S138 PolarHBondContact O-N 3.4Å; S138-Y140 VanDerWaalsContact C-N 3.29Å
139Q93.5Very high89.6Confident158 Ų15853.6 Ų53.674%0.73826%0.263SS*.G310 helixtrans-77.8-14.5174.7-62.3177.6-0.200113.3G136 V137G136-Q139 WeakPolarHBondContact O-CB 3.33Å; G136-Q139 WeakPolarHBondContact O-CG 3.03Å; G136-Q139 PolarHBondContact O-N 3.24Å; V137-Q139 PolarHBondContact O-N 3.42Å
140Y93.3Very high89.1Confident82 Ų8253.3 Ų53.332%0.32226%0.261SS..SBendtrans-104.3-7-176.7-50.9-42.4000113.2V137 S138 A249 R252V137-Y140 PolarHBondContact O-N 2.89Å; S138-Y140 VanDerWaalsContact C-N 3.29Å; Y140-A249 HydrophobicContact CD2-CB 4.37Å; Y140-R252 HydrophobicContact CE2-CG 4.34Å
141V90.4Very high88.5Confident7 Ų752.5 Ų52.54%0.04226%0.259CS..  trans-132.2133.2-174.9-175.40000109.2F143 P239 L246 A249V141-F143 HydrophobicContact CB-CE2 3.92Å; V141-F143 HydrophobicContact CB-CZ 3.94Å; V141-F143 HydrophobicContact CG1-CD2 4.48Å; V141-F143 HydrophobicContact CG1-CE1 4Å; V141-F143 HydrophobicContact CG1-CE2 3.81Å; V141-F143 HydrophobicContact CG1-CZ 3.53Å; V141-F143 WeakPolarHBondContact O-CE2 3.35Å; V141-P239 HydrophobicContact CG1-CB 3.98Å; V141-L246 HydrophobicContact CG1-CD2 4.15Å; V141-L246 HydrophobicContact CG2-CD2 4.31Å; V141-A249 HydrophobicContact CG2-CB 3.35Å
142E89.2Confident87.5Confident124 Ų12449.9 Ų49.958%0.57925%0.246SC*.  trans-97149.7173.3-64.5-171.5166.100110.8P239 M240E142-P239 CarbonylContact O-C 3.23Å; E142-P239 WeakPolarHBondContact O-CA 3.41Å; E142-M240 HydrophobicContact CB-CB 4.04Å; E142-M240 HydrophobicContact CB-CG 4.01Å; E142-M240 WeakPolarHBondContact O-CB 3.46Å; E142-M240 PolarHBondContact O-N 3.3Å
143F86.8Confident86.2Confident62 Ų6252.9 Ų52.927%0.27227%0.267SS..EExtended strand (participates in β ladder)trans-128.6143.2-178-61.7-88.9000111.7I122 L132 V141 L237 W238 P239 L246I122-F143 HydrophobicContact CD1-CD1 4.39Å; I122-F143 HydrophobicContact CD1-CE1 3.6Å; I122-F143 HydrophobicContact CD1-CZ 4.4Å; L132-F143 HydrophobicContact CD1-CE1 4.32Å; L132-F143 HydrophobicContact CD1-CZ 3.73Å; V141-F143 HydrophobicContact CB-CE2 3.92Å; V141-F143 HydrophobicContact CB-CZ 3.94Å; V141-F143 HydrophobicContact CG1-CD2 4.48Å; V141-F143 HydrophobicContact CG1-CE1 4Å; V141-F143 HydrophobicContact CG1-CE2 3.81Å; V141-F143 HydrophobicContact CG1-CZ 3.53Å; V141-F143 WeakPolarHBondContact O-CE2 3.35Å; F143-L237 HydrophobicContact CB-CB 4.38Å; F143-L237 HydrophobicContact CB-CD2 4.48Å; F143-L237 HydrophobicContact CD1-CB 4.23Å; F143-W238 CarbonylContact C-O 3.58Å; F143-W238 WeakPolarHBondContact CA-O 3.33Å; F143-P239 HydrophobicContact CD1-CB 4.18Å; F143-P239 HydrophobicContact CE1-CB 3.92Å; F143-L246 HydrophobicContact CE1-CD2 4.21Å; F143-L246 HydrophobicContact CZ-CD2 4Å
144K83.4Confident84.8Confident35 Ų3554.3 Ų54.315%0.15228%0.276CS..EExtended strand (participates in β ladder)trans-109.4140.2166.8-177171.6178.6-178.90109.9L237 W238 M240 V336K144-L237 CarbonylContact O-C 3.52Å; K144-W238 PolarHBondContact N-O 3.06Å; K144-W238 PolarHBondContact O-N 2.92Å; K144-M240 HydrophobicContact CB-SD 3.67Å; K144-M240 HydrophobicContact CD-SD 4.44Å; K144-V336 HydrophobicContact CD-CG2 3.86Å; K144-V336 HydrophobicContact CG-CG2 4.39Å
145S85.8Confident83.2Confident37 Ų3750.5 Ų50.526%0.25927%0.267SS..EExtended strand (participates in β ladder)trans-69.2140.4171.859.60000110.7D147S145-D147 PolarHBondContact O-N 3.46Å
146V83.2Confident81.7Confident0 Ų054.8 Ų54.80%029%0.287CS..  trans-68.3126.2164.8177.60000108L121 T234 F236 V336 F338L121-V146 HydrophobicContact CD1-CG2 4.24Å; L121-V146 HydrophobicContact CD2-CG2 3.47Å; L121-V146 VanDerWaalsContact CD2-CG2 3.47Å; L121-V146 HydrophobicContact CG-CG2 4.45Å; V146-T234 HydrophobicContact CG1-CG2 4.36Å; V146-T234 WeakPolarHBondContact O-CB 3.18Å; V146-T234 WeakPolarHBondContact O-CG2 3.27Å; V146-T234 PolarHBondContact O-OG1 3.34Å; V146-F236 HydrophobicContact CB-CB 3.9Å; V146-F236 HydrophobicContact CG2-CB 3.53Å; V146-F236 PolarHBondContact N-O 3.48Å; V146-V336 HydrophobicContact CB-CG1 4.22Å; V146-V336 HydrophobicContact CG1-CG1 4.19Å; V146-V336 HydrophobicContact CG2-CG1 3.85Å; V146-F338 HydrophobicContact CG1-CB 4.12Å
147D82.7Confident80.4Confident35 Ų3557.2 Ų57.219%0.18730%0.295CS..  trans-86.2-34.2-172.3-61.5-67000112.2S145 H335 V336S145-D147 PolarHBondContact O-N 3.46Å; D147-H335 HydrophobicContact CB-CB 4.08Å; D147-H335 WeakPolarHBondContact OD2-CA 3.27Å; D147-V336 PolarHBondContact N-O 3.43Å; D147-V336 PolarHBondContact OD2-N 3.26Å
148R82.3Confident79.2Confident23 Ų2358.8 Ų58.89%0.08730%0.303CS..EExtended strand (participates in β ladder)trans-139134.1-172.4-52.8-171.5-62.8-176.311.2111.3L150 I329 D331 H335 V336 S337 F338R148-L150 HydrophobicContact CB-CD2 4.03Å; R148-L150 HydrophobicContact CB-CG 4.4Å; R148-I329 PolarHBondContact NH2-O 3.24Å; R148-D331 IonicContact CZ-OD2 2.76Å; R148-D331 IonicContact NE-OD2 2.63Å; R148-D331 IonicContact NH1-OD2 2.87Å; R148-D331 PolarHBondContact NH1-OD2 2.72Å; R148-H335 PolarHBondContact NE-CD2 2.91Å; R148-H335 PolarHBondContact NH2-CD2 3.07Å; R148-H335 PolarHBondContact NH2-CE1 3.22Å; R148-H335 PolarHBondContact NH2-NE2 3.11Å; R148-V336 PolarHBondContact N-O 3.31Å; R148-S337 PolarHBondContact NE-OG 3.34Å; R148-S337 CarbonylContact O-C 3.55Å; R148-S337 WeakPolarHBondContact O-CA 3.37Å; R148-F338 PolarHBondContact O-N 3.26Å
149V82.1Confident77.8Confident11 Ų1164.7 Ų64.77%0.06732%0.318CS..EExtended strand (participates in β ladder)trans-104.4123162.4175.30000106.8K161 V162 L164 T234 F236 F338V149-K161 WeakPolarHBondContact O-CA 3.34Å; V149-V162 HydrophobicContact CB-CB 4.24Å; V149-V162 HydrophobicContact CG1-CB 3.96Å; V149-V162 HydrophobicContact CG1-CG2 3.87Å; V149-V162 PolarHBondContact O-N 3.4Å; V149-L164 HydrophobicContact CB-CD1 4.17Å; V149-L164 HydrophobicContact CG2-CD1 3.78Å; V149-T234 HydrophobicContact CG2-CG2 4.03Å; V149-F236 HydrophobicContact CG2-CD2 4.26Å; V149-F236 HydrophobicContact CG2-CE2 4.06Å; V149-F338 CarbonylContact C-O 3.52Å; V149-F338 VanDerWaalsContact CA-O 3.32Å; V149-F338 WeakPolarHBondContact CA-O 3.47Å; V149-F338 HydrophobicContact CG1-CD1 4.1Å; V149-F338 HydrophobicContact CG2-CD1 4.36Å
150L80.3Confident76.5Confident3 Ų357.3 Ų57.32%0.01628%0.284CS..EExtended strand (participates in β ladder)trans-113.3146.5-176.4-52.7178.4000109.8R148 I158 S160 I329 F338 V339 Q340R148-L150 HydrophobicContact CB-CD2 4.03Å; R148-L150 HydrophobicContact CB-CG 4.4Å; L150-I158 HydrophobicContact CB-CG2 3.83Å; L150-I158 HydrophobicContact CD1-CG2 4.15Å; L150-S160 WeakPolarHBondContact CA-O 3.23Å; L150-I329 HydrophobicContact CD1-CD1 3.67Å; L150-I329 HydrophobicContact CD1-CG1 4.06Å; L150-I329 HydrophobicContact CD2-CD1 3.89Å; L150-I329 HydrophobicContact CG-CD1 4.33Å; L150-F338 PolarHBondContact N-O 3.36Å; L150-V339 HydrophobicContact CB-CG1 4.44Å; L150-V339 HydrophobicContact CB-CG2 4.07Å; L150-V339 HydrophobicContact CD1-CG2 4.04Å; L150-V339 HydrophobicContact CG-CG2 4.49Å; L150-V339 CarbonylContact O-C 3.55Å; L150-V339 WeakPolarHBondContact O-CA 3.36Å; L150-Q340 PolarHBondContact O-N 3.36Å
151T77.8Confident75.9Confident40 Ų4057.8 Ų57.825%0.24529%0.288CS..EExtended strand (participates in β ladder)trans-133.8157.7172.4-170.70000111.3R159 S160 V162 Q340T151-R159 PolarHBondContact O-N 2.97Å; T151-S160 WeakPolarHBondContact CG2-OG 3.37Å; T151-S160 PolarHBondContact N-O 3.07Å; T151-S160 VanDerWaalsContact N-O 3.09Å; T151-V162 HydrophobicContact CG2-CG2 3.65Å; T151-Q340 WeakPolarHBondContact CA-O 3.45Å; T151-Q340 PolarHBondContact OG1-O 3.49Å
152T71.4Confident75.7Confident17 Ų1759.4 Ų59.410%0.10430%0.298CS..EExtended strand (participates in β ladder)trans-88.4123.7169.654.50000109.5I158 R341T152-I158 HydrophobicContact CG2-CB 4.48Å; T152-I158 HydrophobicContact CG2-CG1 3.81Å; T152-R341 HydrophobicContact CG2-CB 3.93Å; T152-R341 HydrophobicContact CG2-CG 3.73Å
153C64.7Low75.6Confident72 Ų7254.9 Ų54.949%0.48628%0.279SS..EExtended strand (participates in β ladder)trans-82.7-34172.6-63.50000111.7S160C153-S160 PolarHBondContact SG-OG 3.4Å
154N64.8Low75.4Confident118 Ų11854.1 Ų54.163%0.63128%0.278SS*.EExtended strand (participates in β ladder)trans-128.8160174.9-64.8-6.6000108.8N156 N157N154-N156 PolarHBondContact O-N 3.09Å; N154-N157 PolarHBondContact O-N 3.32Å
155E62.2Low75.5Confident133 Ų13354.1 Ų54.162%0.62128%0.282SS*.THydrogen-bonded Turntrans-51.5-28.4-173.8-69.5-176.3164.900113.8R341E155-R341 PolarHBondContact O-NH2 2.94Å
156N61.4Low75.5Confident128 Ų12861.9 Ų61.968%0.68431%0.306SS*.THydrogen-bonded Turntrans-109.30.6-169.2-65.8-4.2000115.7N154N154-N156 PolarHBondContact O-N 3.09Å
157N65.3Low75.6Confident72 Ų7265.1 Ų65.139%0.38533%0.329SS..EExtended strand (participates in β ladder)trans-144.3116.6-173.2-77.8-70000113.5N154 R159N154-N157 PolarHBondContact O-N 3.32Å; N157-R159 HydrophobicContact CB-CG 3.83Å; N157-R159 VanDerWaalsContact CB-NE 3.31Å; N157-R159 PolarHBondContact ND2-NH2 2.91Å; N157-R159 PolarHBondContact O-N 3.26Å
158I69.7Low75.8Confident33 Ų3365.5 Ų65.517%0.16933%0.329CS..EExtended strand (participates in β ladder)trans-71.8107.5166.1-52.5173.1000106.2L150 T152 L328 I329 V339L150-I158 HydrophobicContact CB-CG2 3.83Å; L150-I158 HydrophobicContact CD1-CG2 4.15Å; T152-I158 HydrophobicContact CG2-CB 4.48Å; T152-I158 HydrophobicContact CG2-CG1 3.81Å; I158-L328 HydrophobicContact CD1-CB 4.48Å; I158-L328 HydrophobicContact CD1-CD1 3.76Å; I158-I329 HydrophobicContact CG2-CD1 4.06Å; I158-I329 HydrophobicContact CG2-CG1 4.48Å; I158-V339 HydrophobicContact CD1-CG1 4.04Å; I158-V339 HydrophobicContact CG1-CG1 4.35Å; I158-V339 HydrophobicContact CG2-CG1 4.19Å
159R63.6Low76.2Confident168 Ų16864.7 Ų64.763%0.63433%0.327SS*.EExtended strand (participates in β ladder)trans-126.2-25.3-167.5-89.9177-176.3-161.35115.4T151 N157T151-R159 PolarHBondContact O-N 2.97Å; N157-R159 HydrophobicContact CB-CG 3.83Å; N157-R159 VanDerWaalsContact CB-NE 3.31Å; N157-R159 PolarHBondContact ND2-NH2 2.91Å; N157-R159 PolarHBondContact O-N 3.26Å
160S67.2Low76.5Confident4 Ų472 Ų723%0.02836%0.358CS..EExtended strand (participates in β ladder)trans-124.3132.8-16860.70000113.2L150 T151 C153 V162 E174L150-S160 WeakPolarHBondContact CA-O 3.23Å; T151-S160 WeakPolarHBondContact CG2-OG 3.37Å; T151-S160 PolarHBondContact N-O 3.07Å; T151-S160 VanDerWaalsContact N-O 3.09Å; C153-S160 PolarHBondContact SG-OG 3.4Å; S160-V162 PolarHBondContact O-N 2.99Å; S160-E174 VanDerWaalsContact CB-CD 3.45Å; S160-E174 WeakPolarHBondContact CB-OE1 3.35Å; S160-E174 WeakPolarHBondContact CB-OE2 3.35Å; S160-E174 PolarHBondContact OG-OE2 3.26Å
161K80.4Confident76.9Confident91 Ų9178.6 Ų78.640%0.39639%0.389SS..EExtended strand (participates in β ladder)trans-71.7119.2161.5-176.8175.6-177.8169.80107.1V149 P163V149-K161 WeakPolarHBondContact O-CA 3.34Å; K161-P163 WeakPolarHBondContact O-CD 3.29Å
162V85Confident77.5Confident41 Ų4177.7 Ų77.725%0.24838%0.384CS..PPolyproline II helixtrans-65.5126.3177.5179.30000108.7V149 T151 S160 L164V149-V162 HydrophobicContact CB-CB 4.24Å; V149-V162 HydrophobicContact CG1-CB 3.96Å; V149-V162 HydrophobicContact CG1-CG2 3.87Å; V149-V162 PolarHBondContact O-N 3.4Å; T151-V162 HydrophobicContact CG2-CG2 3.65Å; S160-V162 PolarHBondContact O-N 2.99Å; V162-L164 HydrophobicContact CG1-CD2 4.05Å; V162-L164 PolarHBondContact O-N 3.43Å
163P87Confident78.3Confident30 Ų3086.9 Ų86.920%0.19542%0.423CS..PPolyproline II helixtrans-72.8117175.628.2-32000110K161 Q168 V169 I175K161-P163 WeakPolarHBondContact O-CD 3.29Å; P163-Q168 HydrophobicContact CB-CB 3.67Å; P163-V169 HydrophobicContact CB-CG2 3.89Å; P163-V169 HydrophobicContact CG-CG2 4.2Å; P163-I175 HydrophobicContact CG-CD1 3.76Å
164L84.2Confident79.2Confident46 Ų4689.1 Ų89.124%0.24143%0.426CS..  trans-106.4-15.6-176.9-63.4175000113.3V149 V162 T234V149-L164 HydrophobicContact CB-CD1 4.17Å; V149-L164 HydrophobicContact CG2-CD1 3.78Å; V162-L164 HydrophobicContact CG1-CD2 4.05Å; V162-L164 PolarHBondContact O-N 3.43Å; L164-T234 HydrophobicContact CD1-CG2 3.77Å
165S84.2Confident80.2Confident35 Ų3585.4 Ų85.425%0.24541%0.406CS..SBendtrans-111.6157.7175.277.40000111.9S167 Q168 V169S165-S167 PolarHBondContact O-N 2.88Å; S165-S167 PolarHBondContact OG-N 3.19Å; S165-S167 PolarHBondContact OG-OG 3.37Å; S165-Q168 PolarHBondContact O-N 3.46Å; S165-Q168 VanDerWaalsContact O-N 3.08Å; S165-Q168 WeakPolarHBondContact OG-CB 3.45Å; S165-Q168 VanDerWaalsContact OG-CG 3.3Å; S165-Q168 WeakPolarHBondContact OG-CG 3.4Å; S165-Q168 PolarHBondContact OG-N 3.11Å; S165-V169 WeakPolarHBondContact O-CG2 3.36Å; S165-V169 PolarHBondContact O-N 3.43Å
166R85.3Confident81.6Confident199 Ų19983.6 Ų83.675%0.75140%0.4SS*.Hα-helixtrans-55.2-37173.3-173.8177.8178.7-176.7-0112.2F170 M184R166-F170 WeakPolarHBondContact O-CB 3.25Å; R166-F170 PolarHBondContact O-N 2.91Å; R166-M184 HydrophobicContact CB-CE 4.36Å; R166-M184 HydrophobicContact CG-CE 3.88Å; R166-M184 HydrophobicContact CG-SD 4.25Å
167S85.9Confident83Confident69 Ų6982.9 Ų82.948%0.48340%0.396SS..Hα-helixtrans-67.9-41.5176.856.20000112.2S165 F170 Q171S165-S167 PolarHBondContact O-N 2.88Å; S165-S167 PolarHBondContact OG-N 3.19Å; S165-S167 PolarHBondContact OG-OG 3.37Å; S167-F170 PolarHBondContact O-N 2.99Å; S167-Q171 WeakPolarHBondContact O-CB 3.46Å; S167-Q171 VanDerWaalsContact O-CG 3.27Å; S167-Q171 WeakPolarHBondContact O-CG 3.3Å; S167-Q171 PolarHBondContact O-N 3.1Å
168Q88.1Confident84.4Confident42 Ų4283.4 Ų83.420%0.19640%0.402CS..Hα-helixtrans-66.7-40.6175.9-71.9172-10.400111.9P163 S165 F170 Q171 S172P163-Q168 HydrophobicContact CB-CB 3.67Å; S165-Q168 PolarHBondContact O-N 3.46Å; S165-Q168 VanDerWaalsContact O-N 3.08Å; S165-Q168 WeakPolarHBondContact OG-CB 3.45Å; S165-Q168 VanDerWaalsContact OG-CG 3.3Å; S165-Q168 WeakPolarHBondContact OG-CG 3.4Å; S165-Q168 PolarHBondContact OG-N 3.11Å; Q168-F170 VanDerWaalsContact C-N 3.29Å; Q168-F170 PolarHBondContact O-N 2.99Å; Q168-Q171 PolarHBondContact O-N 3.13Å; Q168-S172 WeakPolarHBondContact O-CB 3.36Å; Q168-S172 PolarHBondContact O-N 3.38Å
169V89.8Confident85.5Confident7 Ų786 Ų864%0.04242%0.416CS..Hα-helixtrans-60.3-43.7174173.70000109.9P163 S165 Q171 S172 K180 L183 M184P163-V169 HydrophobicContact CB-CG2 3.89Å; P163-V169 HydrophobicContact CG-CG2 4.2Å; S165-V169 WeakPolarHBondContact O-CG2 3.36Å; S165-V169 PolarHBondContact O-N 3.43Å; V169-Q171 PolarHBondContact O-N 3.47Å; V169-S172 PolarHBondContact O-N 3.44Å; V169-K180 HydrophobicContact CG1-CB 4.29Å; V169-K180 HydrophobicContact CG1-CD 4.49Å; V169-K180 HydrophobicContact CG1-CG 3.99Å; V169-K180 WeakPolarHBondContact O-CD 3.4Å; V169-K180 WeakPolarHBondContact O-CE 3.47Å; V169-K180 PolarHBondContact O-NZ 2.71Å; V169-L183 HydrophobicContact CG1-CD2 4.13Å; V169-L183 HydrophobicContact CG2-CD2 4.11Å; V169-M184 HydrophobicContact CG1-SD 4.41Å
170F88.1Confident86.9Confident165 Ų16579.4 Ų79.472%0.72439%0.392SS*.Hα-helixtrans-62.5-43177.6-173.4-97.4000112.4R166 S167 Q168 K180R166-F170 WeakPolarHBondContact O-CB 3.25Å; R166-F170 PolarHBondContact O-N 2.91Å; S167-F170 PolarHBondContact O-N 2.99Å; Q168-F170 VanDerWaalsContact C-N 3.29Å; Q168-F170 PolarHBondContact O-N 2.99Å; F170-K180 PolarHBondContact O-NZ 2.73Å
171Q90Very high88.1Confident141 Ų14187.6 Ų87.666%0.65942%0.422SS*.Hα-helixtrans-76.5-21.3-179.1-70.3170.62.800114.2S167 Q168 V169 K173S167-Q171 WeakPolarHBondContact O-CB 3.46Å; S167-Q171 VanDerWaalsContact O-CG 3.27Å; S167-Q171 WeakPolarHBondContact O-CG 3.3Å; S167-Q171 PolarHBondContact O-N 3.1Å; Q168-Q171 PolarHBondContact O-N 3.13Å; V169-Q171 PolarHBondContact O-N 3.47Å; Q171-K173 PolarHBondContact O-N 2.83Å
172S88.8Confident88.7Confident21 Ų2187.8 Ų87.815%0.14743%0.427CS..  trans-59.4130.9-177.6177.50000111.5Q168 V169 E174 K180Q168-S172 WeakPolarHBondContact O-CB 3.36Å; Q168-S172 PolarHBondContact O-N 3.38Å; V169-S172 PolarHBondContact O-N 3.44Å; S172-E174 PolarHBondContact OG-N 3.19Å; S172-K180 WeakPolarHBondContact O-CE 3.28Å; S172-K180 PolarHBondContact O-NZ 2.89Å
173K87.8Confident89.1Confident210 Ų21088.4 Ų88.491%0.91343%0.429SS*.SBendtrans-91.1-8.7174-63.1-176.7-178.6178.80112.8Q171Q171-K173 PolarHBondContact O-N 2.83Å
174E84.3Confident89.3Confident119 Ų11989.3 Ų89.356%0.55643%0.431SS*.SBendtrans-88.5-17.7-175-60.8-178.7-175.500112.9S160 S172S160-E174 VanDerWaalsContact CB-CD 3.45Å; S160-E174 WeakPolarHBondContact CB-OE1 3.35Å; S160-E174 WeakPolarHBondContact CB-OE2 3.35Å; S160-E174 PolarHBondContact OG-OE2 3.26Å; S172-E174 PolarHBondContact OG-N 3.19Å
175I86.4Confident89.6Confident39 Ų3995.6 Ų95.620%0.245%0.451CS..SBendtrans-107.2125.9-179.7-51.7173.8000107.8P163 D179 K180 L183P163-I175 HydrophobicContact CG-CD1 3.76Å; I175-D179 HydrophobicContact CG2-CB 3.6Å; I175-K180 HydrophobicContact CB-CG 3.95Å; I175-K180 HydrophobicContact CG2-CB 4.45Å; I175-K180 HydrophobicContact CG2-CG 3.61Å; I175-K180 WeakPolarHBondContact O-CE 3.33Å; I175-L183 HydrophobicContact CD1-CD2 4.29Å
176D91.1Very high89.9Confident96 Ų9697.3 Ų97.351%0.51346%0.458SS..  trans-67.9158.2176.2-175.137.8000111.6T178 D179 K180D176-T178 PolarHBondContact O-N 3.09Å; D176-T178 PolarHBondContact OD2-OG1 3.14Å; D176-D179 PolarHBondContact O-N 3.22Å; D176-D179 VanDerWaalsContact O-N 3.14Å; D176-K180 WeakPolarHBondContact O-CG 3.48Å; D176-K180 PolarHBondContact O-N 2.95Å
177L91.9Very high90.1Very high112 Ų11289.9 Ų89.959%0.58643%0.433SS*.Hα-helixtrans-57.2-36.5-179.4-68.8175.3000112.6R181L177-R181 WeakPolarHBondContact O-CG 3.18Å; L177-R181 PolarHBondContact O-N 3.26Å
178T93.5Very high90.3Very high83 Ų8391.3 Ų91.351%0.50943%0.434SS..Hα-helixtrans-64.9-47.7177.4-520000110.6D176 K180 R181 L182D176-T178 PolarHBondContact O-N 3.09Å; D176-T178 PolarHBondContact OD2-OG1 3.14Å; T178-K180 PolarHBondContact O-N 3.13Å; T178-R181 WeakPolarHBondContact O-CB 3.27Å; T178-R181 PolarHBondContact O-N 3.38Å; T178-R181 VanDerWaalsContact O-N 3.16Å; T178-L182 PolarHBondContact O-N 3.17Å; T178-L182 VanDerWaalsContact O-N 3.1Å
179D93.2Very high90.3Very high88 Ų8894.1 Ų94.147%0.47145%0.45SS..Hα-helixtrans-68.2-36.5-179.3-68.7-16.9000112.1I175 D176 R181 L182 L183I175-D179 HydrophobicContact CG2-CB 3.6Å; D176-D179 PolarHBondContact O-N 3.22Å; D176-D179 VanDerWaalsContact O-N 3.14Å; D179-R181 VanDerWaalsContact C-N 3.28Å; D179-R181 PolarHBondContact O-N 3.31Å; D179-L182 PolarHBondContact O-N 2.72Å; D179-L183 VanDerWaalsContact O-CB 3.26Å; D179-L183 WeakPolarHBondContact O-CB 3.38Å; D179-L183 PolarHBondContact O-N 3.17Å
180K93.2Very high90.2Very high30 Ų3093.8 Ų93.813%0.1345%0.448CS..Hα-helixtrans-56.8-42.9171.7-72.9-178.3-173.61770111.3V169 F170 S172 I175 D176 T178 M184V169-K180 HydrophobicContact CG1-CB 4.29Å; V169-K180 HydrophobicContact CG1-CD 4.49Å; V169-K180 HydrophobicContact CG1-CG 3.99Å; V169-K180 WeakPolarHBondContact O-CD 3.4Å; V169-K180 WeakPolarHBondContact O-CE 3.47Å; V169-K180 PolarHBondContact O-NZ 2.71Å; F170-K180 PolarHBondContact O-NZ 2.73Å; S172-K180 WeakPolarHBondContact O-CE 3.28Å; S172-K180 PolarHBondContact O-NZ 2.89Å; I175-K180 HydrophobicContact CB-CG 3.95Å; I175-K180 HydrophobicContact CG2-CB 4.45Å; I175-K180 HydrophobicContact CG2-CG 3.61Å; I175-K180 WeakPolarHBondContact O-CE 3.33Å; D176-K180 WeakPolarHBondContact O-CG 3.48Å; D176-K180 PolarHBondContact O-N 2.95Å; T178-K180 PolarHBondContact O-N 3.13Å; K180-M184 WeakPolarHBondContact O-CB 3.26Å; K180-M184 VanDerWaalsContact O-CG 3.27Å; K180-M184 WeakPolarHBondContact O-CG 3.38Å; K180-M184 PolarHBondContact O-N 3.1Å
181R92.1Very high90.1Very high175 Ų17591.4 Ų91.466%0.6643%0.434SS*.Hα-helixtrans-66.9-42.8178.6-68.6174.7-171.2176.43.6111.6L177 T178 D179 M184 R185L177-R181 WeakPolarHBondContact O-CG 3.18Å; L177-R181 PolarHBondContact O-N 3.26Å; T178-R181 WeakPolarHBondContact O-CB 3.27Å; T178-R181 PolarHBondContact O-N 3.38Å; T178-R181 VanDerWaalsContact O-N 3.16Å; D179-R181 VanDerWaalsContact C-N 3.28Å; D179-R181 PolarHBondContact O-N 3.31Å; R181-M184 PolarHBondContact O-N 3.08Å; R181-R185 WeakPolarHBondContact O-CG 3.34Å; R181-R185 PolarHBondContact O-N 3.48Å; R181-R185 VanDerWaalsContact O-N 3.08Å
182L93.4Very high89.9Confident96 Ų9690 Ų9050%0.50343%0.432SS..Hα-helixtrans-64.4-45.3177.5-69.4174.2000111.6T178 D179 M184 R185 L186T178-L182 PolarHBondContact O-N 3.17Å; T178-L182 VanDerWaalsContact O-N 3.1Å; D179-L182 PolarHBondContact O-N 2.72Å; L182-M184 PolarHBondContact O-N 3.35Å; L182-R185 PolarHBondContact O-N 3.15Å; L182-L186 PolarHBondContact O-N 3.29Å
183L92.2Very high89.5Confident54 Ų5491.2 Ų91.228%0.28343%0.433SS..Hα-helixtrans-58-48.7175.9177.661.1000111V169 I175 D179 R185 L186 L187V169-L183 HydrophobicContact CG1-CD2 4.13Å; V169-L183 HydrophobicContact CG2-CD2 4.11Å; I175-L183 HydrophobicContact CD1-CD2 4.29Å; D179-L183 VanDerWaalsContact O-CB 3.26Å; D179-L183 WeakPolarHBondContact O-CB 3.38Å; D179-L183 PolarHBondContact O-N 3.17Å; L183-R185 VanDerWaalsContact C-N 3.3Å; L183-R185 PolarHBondContact O-N 3.03Å; L183-L186 WeakPolarHBondContact O-CB 3.26Å; L183-L186 PolarHBondContact O-N 3.44Å; L183-L186 VanDerWaalsContact O-N 3.16Å; L183-L187 HydrophobicContact CD1-CD1 4.28Å; L183-L187 HydrophobicContact CD1-CG 4.17Å; L183-L187 HydrophobicContact CG-CD1 4.18Å; L183-L187 HydrophobicContact CG-CG 4.45Å; L183-L187 WeakPolarHBondContact O-CG 3.22Å; L183-L187 PolarHBondContact O-N 3.01Å
184M92.1Very high88.7Confident49 Ų4987.8 Ų87.824%0.24142%0.42CS..Hα-helixtrans-62.1-37.7178.7-70.8-54.1-52.500112.4R166 V169 K180 R181 L182 L187 L188R166-M184 HydrophobicContact CB-CE 4.36Å; R166-M184 HydrophobicContact CG-CE 3.88Å; R166-M184 HydrophobicContact CG-SD 4.25Å; V169-M184 HydrophobicContact CG1-SD 4.41Å; K180-M184 WeakPolarHBondContact O-CB 3.26Å; K180-M184 VanDerWaalsContact O-CG 3.27Å; K180-M184 WeakPolarHBondContact O-CG 3.38Å; K180-M184 PolarHBondContact O-N 3.1Å; R181-M184 PolarHBondContact O-N 3.08Å; L182-M184 PolarHBondContact O-N 3.35Å; M184-L187 HydrophobicContact SD-CD1 4.34Å; M184-L188 VanDerWaalsContact O-CG 3.32Å; M184-L188 WeakPolarHBondContact O-CG 3.18Å; M184-L188 PolarHBondContact O-N 2.8Å; M184-L188 VanDerWaalsContact O-N 3.08Å
185R91.1Very high87.7Confident177 Ų17785.5 Ų85.567%0.66841%0.411SS*.Hα-helixtrans-65.1-42.4173.7-74.1177.4-178176.60.1112R181 L182 L183 L188 L189R181-R185 WeakPolarHBondContact O-CG 3.34Å; R181-R185 PolarHBondContact O-N 3.48Å; R181-R185 VanDerWaalsContact O-N 3.08Å; L182-R185 PolarHBondContact O-N 3.15Å; L183-R185 VanDerWaalsContact C-N 3.3Å; L183-R185 PolarHBondContact O-N 3.03Å; R185-L188 PolarHBondContact O-N 2.65Å; R185-L189 WeakPolarHBondContact O-CB 3.49Å; R185-L189 PolarHBondContact O-N 3.22Å
186L89.5Confident86.3Confident72 Ų7290.4 Ų90.438%0.37744%0.437SS..Hα-helixtrans-62.7-43.8176.8178.563.2000111.5L182 L183 L188 L189 C190 F216L182-L186 PolarHBondContact O-N 3.29Å; L183-L186 WeakPolarHBondContact O-CB 3.26Å; L183-L186 PolarHBondContact O-N 3.44Å; L183-L186 VanDerWaalsContact O-N 3.16Å; L186-L188 PolarHBondContact O-N 2.76Å; L186-L189 WeakPolarHBondContact O-CB 3.31Å; L186-L189 PolarHBondContact O-N 2.96Å; L186-C190 PolarHBondContact O-N 2.83Å; L186-C190 PolarHBondContact O-SG 3.18Å; L186-C190 VanDerWaalsContact O-SG 3.32Å; L186-F216 HydrophobicContact CD2-CZ 4.4Å
187L90.1Very high84.7Confident43 Ų4389.4 Ų89.423%0.22544%0.442CS..Hα-helixtrans-64-40.6178.1-67.6177.1000111.9L183 M184 C190 W191 V220 M224L183-L187 HydrophobicContact CD1-CD1 4.28Å; L183-L187 HydrophobicContact CD1-CG 4.17Å; L183-L187 HydrophobicContact CG-CD1 4.18Å; L183-L187 HydrophobicContact CG-CG 4.45Å; L183-L187 WeakPolarHBondContact O-CG 3.22Å; L183-L187 PolarHBondContact O-N 3.01Å; M184-L187 HydrophobicContact SD-CD1 4.34Å; L187-C190 PolarHBondContact O-N 3.05Å; L187-W191 PolarHBondContact O-N 3.09Å; L187-V220 HydrophobicContact CD2-CG1 3.8Å; L187-M224 HydrophobicContact CB-CE 4.15Å; L187-M224 HydrophobicContact CB-SD 4.21Å; L187-M224 HydrophobicContact CD2-SD 4.1Å
188L89.2Confident82.9Confident99 Ų9988.8 Ų88.852%0.51844%0.435SS..Hα-helixtrans-62.3-45.6173.5-72.4170.4000111.4M184 R185 L186 C190 W191 D192M184-L188 VanDerWaalsContact O-CG 3.32Å; M184-L188 WeakPolarHBondContact O-CG 3.18Å; M184-L188 PolarHBondContact O-N 2.8Å; M184-L188 VanDerWaalsContact O-N 3.08Å; R185-L188 PolarHBondContact O-N 2.65Å; L186-L188 PolarHBondContact O-N 2.76Å; L188-C190 VanDerWaalsContact C-N 3.26Å; L188-C190 PolarHBondContact O-N 3.42Å; L188-W191 WeakPolarHBondContact O-CB 3.3Å; L188-W191 PolarHBondContact O-N 2.83Å; L188-W191 VanDerWaalsContact O-N 3.09Å; L188-D192 PolarHBondContact O-N 3.15Å
189L88.2Confident81.1Confident101 Ų10195.1 Ų95.153%0.52946%0.456SS..Hα-helixtrans-56.4-43174.3-177.869.9000111.2R185 L186 W191 Y193 F217R185-L189 WeakPolarHBondContact O-CB 3.49Å; R185-L189 PolarHBondContact O-N 3.22Å; L186-L189 WeakPolarHBondContact O-CB 3.31Å; L186-L189 PolarHBondContact O-N 2.96Å; L189-W191 VanDerWaalsContact C-N 3.33Å; L189-W191 PolarHBondContact O-N 3.24Å; L189-Y193 WeakPolarHBondContact O-CB 3.47Å; L189-Y193 PolarHBondContact O-N 2.92Å; L189-Y193 VanDerWaalsContact O-N 3.07Å; L189-F217 HydrophobicContact CD2-CE1 4.3Å; L189-F217 HydrophobicContact CD2-CZ 4.14Å; L189-F217 HydrophobicContact CG-CE1 4.11Å; L189-F217 HydrophobicContact CG-CZ 4.41Å
190C88.1Confident79.3Confident0 Ų095.2 Ų95.20%047%0.468CS..Hα-helixtrans-66.6-33.8177.6-69.50000113.6L186 L187 L188 F217 V220L186-C190 PolarHBondContact O-N 2.83Å; L186-C190 PolarHBondContact O-SG 3.18Å; L186-C190 VanDerWaalsContact O-SG 3.32Å; L187-C190 PolarHBondContact O-N 3.05Å; L188-C190 VanDerWaalsContact C-N 3.26Å; L188-C190 PolarHBondContact O-N 3.42Å; C190-F217 HydrophobicContact CB-CD1 4.03Å; C190-F217 HydrophobicContact CB-CE1 4.28Å; C190-F217 VanDerWaalsContact SG-CD1 3.56Å; C190-F217 VanDerWaalsContact SG-CE1 3.53Å; C190-V220 HydrophobicContact CB-CB 4.19Å; C190-V220 HydrophobicContact CB-CG1 3.67Å
191W86.9Confident77.8Confident114 Ų11496.3 Ų96.343%0.43248%0.477SS..Hα-helixtrans-69.4-49.3178.6-172.5-98.9000111.8L187 L188 L189 Y193 K221 M224 K225L187-W191 PolarHBondContact O-N 3.09Å; L188-W191 WeakPolarHBondContact O-CB 3.3Å; L188-W191 PolarHBondContact O-N 2.83Å; L188-W191 VanDerWaalsContact O-N 3.09Å; L189-W191 VanDerWaalsContact C-N 3.33Å; L189-W191 PolarHBondContact O-N 3.24Å; W191-Y193 PolarHBondContact O-N 3.1Å; W191-K221 WeakPolarHBondContact O-CE 3.29Å; W191-K221 PolarHBondContact O-NZ 3.45Å; W191-M224 HydrophobicContact CB-CE 3.91Å; W191-M224 HydrophobicContact CD2-CE 4.2Å; W191-M224 HydrophobicContact CE3-CB 3.78Å; W191-M224 HydrophobicContact CE3-CE 3.69Å; W191-M224 HydrophobicContact CE3-SD 4.21Å; W191-M224 HydrophobicContact CG-CE 4.33Å; W191-M224 HydrophobicContact CZ3-CB 3.7Å; W191-K225 HydrophobicContact CZ3-CB 4.44Å
192D85.7Confident76.1Confident113 Ų11394.9 Ų94.960%0.60449%0.488SS*.Hα-helixtrans-76.1-12.3-177.4-64.5-21.6000112.5L188 E194L188-D192 PolarHBondContact O-N 3.15Å; D192-E194 PolarHBondContact O-N 2.95Å
193Y79.5Confident75Confident45 Ų4594 Ų9418%0.17648%0.484CS..  trans-59.3111.3177.7-169-99.9000111.3L189 W191 M195 Y210 L214 F217 K221L189-Y193 WeakPolarHBondContact O-CB 3.47Å; L189-Y193 PolarHBondContact O-N 2.92Å; L189-Y193 VanDerWaalsContact O-N 3.07Å; W191-Y193 PolarHBondContact O-N 3.1Å; Y193-M195 HydrophobicContact CD1-CE 3.59Å; Y193-M195 HydrophobicContact CE1-CE 3.5Å; Y193-Y210 PolarHBondContact OH-OH 2.91Å; Y193-L214 HydrophobicContact CE1-CD1 3.83Å; Y193-F217 HydrophobicContact CD1-CB 3.97Å; Y193-F217 HydrophobicContact CD1-CD1 4.09Å; Y193-F217 HydrophobicContact CD1-CG 4.07Å; Y193-F217 HydrophobicContact CD2-CD1 4.09Å; Y193-F217 HydrophobicContact CD2-CE1 4.15Å; Y193-F217 HydrophobicContact CD2-CG 4.47Å; Y193-F217 HydrophobicContact CE1-CB 4.28Å; Y193-F217 HydrophobicContact CE1-CG 4.38Å; Y193-F217 HydrophobicContact CG-CB 4.45Å; Y193-F217 AromaticContact CG-CD1 3.72Å; Y193-F217 HydrophobicContact CG-CD1 3.72Å; Y193-F217 HydrophobicContact CG-CE1 4.19Å; Y193-F217 HydrophobicContact CG-CG 4.12Å; Y193-K221 PolarHBondContact O-NZ 2.77Å
194E70.6Confident73.6Confident138 Ų138100.6 Ų100.665%0.64551%0.506SS*.  trans-92.8131.2171.9-69.4-167.2168.700110.8D192 N196D192-E194 PolarHBondContact O-N 2.95Å; E194-N196 PolarHBondContact O-N 2.87Å; E194-N196 VanDerWaalsContact O-N 3.08Å
195M63.3Low72.4Confident71 Ų71105.7 Ų105.735%0.3553%0.53SS..G310 helixtrans-62.6-17.5-178.4-67.7-80.3115.400113.7Y193 A197 L214 R218Y193-M195 HydrophobicContact CD1-CE 3.59Å; Y193-M195 HydrophobicContact CE1-CE 3.5Å; M195-A197 PolarHBondContact O-N 2.87Å; M195-L214 HydrophobicContact CE-CD1 3.51Å; M195-L214 HydrophobicContact CE-CG 4.44Å; M195-L214 HydrophobicContact SD-CD1 3.68Å; M195-L214 HydrophobicContact SD-CG 4.4Å; M195-R218 HydrophobicContact CE-CG 3.62Å; M195-R218 HydrophobicContact SD-CG 4.01Å; M195-R218 PolarHBondContact SD-NE 2.8Å; M195-R218 PolarHBondContact SD-NH2 2.76Å; M195-R218 VanDerWaalsContact SD-NH2 3.44Å
196N58.2Low71.4Confident143 Ų143100.3 Ų100.377%0.76552%0.516SS*.G310 helixtrans-77.4-3.2-170-66.9-26.2000114.1E194 F198E194-N196 PolarHBondContact O-N 2.87Å; E194-N196 VanDerWaalsContact O-N 3.08Å; N196-F198 VanDerWaalsContact C-N 3.25Å; N196-F198 PolarHBondContact O-N 2.84Å
197A56.5Low70.6Confident74 Ų74103.4 Ų103.461%0.61253%0.527SS*.G310 helixtrans-72.9-5-174.600000115.4M195M195-A197 PolarHBondContact O-N 2.87Å
198F55.1Low69.7Low99 Ų99108.1 Ų108.143%0.43454%0.542SS..  trans-137.194-165.6-110.7-118.3000113.7N196 V201 Y210N196-F198 VanDerWaalsContact C-N 3.25Å; N196-F198 PolarHBondContact O-N 2.84Å; F198-V201 HydrophobicContact CD1-CG2 3.17Å; F198-V201 HydrophobicContact CE1-CB 4.47Å; F198-V201 HydrophobicContact CE1-CG2 2.97Å; F198-V201 HydrophobicContact CG-CG2 4.43Å; F198-V201 HydrophobicContact CZ-CG2 4.1Å; F198-Y210 HydrophobicContact CB-CE1 4.12Å; F198-Y210 WeakPolarHBondContact CB-OH 3.36Å; F198-Y210 AromaticContact CD1-CD1 3.94Å; F198-Y210 HydrophobicContact CD1-CD1 3.94Å; F198-Y210 AromaticContact CD1-CD2 3.79Å; F198-Y210 HydrophobicContact CD1-CD2 3.79Å; F198-Y210 AromaticContact CD1-CE1 3.46Å; F198-Y210 HydrophobicContact CD1-CE1 3.46Å; F198-Y210 VanDerWaalsContact CD1-CE1 3.46Å; F198-Y210 AromaticContact CD1-CE2 3.3Å; F198-Y210 HydrophobicContact CD1-CE2 3.3Å; F198-Y210 HydrophobicContact CD1-CG 4.08Å; F198-Y210 AromaticContact CD1-CZ 3.11Å; F198-Y210 WeakPolarHBondContact CD1-OH 3.4Å; F198-Y210 AromaticContact CD2-CE2 3.83Å; F198-Y210 HydrophobicContact CD2-CE2 3.83Å; F198-Y210 AromaticContact CD2-CZ 3.83Å; F198-Y210 WeakPolarHBondContact CD2-OH 2.95Å; F198-Y210 HydrophobicContact CE1-CD1 4.16Å; F198-Y210 AromaticContact CE1-CD2 3.29Å; F198-Y210 HydrophobicContact CE1-CD2 3.29Å; F198-Y210 HydrophobicContact CE1-CE1 4.03Å; F198-Y210 AromaticContact CE1-CE2 3.14Å; F198-Y210 HydrophobicContact CE1-CE2 3.14Å; F198-Y210 AromaticContact CE1-CG 3.82Å; F198-Y210 HydrophobicContact CE1-CG 3.82Å; F198-Y210 AromaticContact CE1-CZ 3.55Å; F198-Y210 AromaticContact CE2-CE2 3.76Å; F198-Y210 HydrophobicContact CE2-CE2 3.76Å; F198-Y210 AromaticContact CG-CE1 3.94Å; F198-Y210 HydrophobicContact CG-CE1 3.94Å; F198-Y210 AromaticContact CG-CE2 3.66Å; F198-Y210 HydrophobicContact CG-CE2 3.66Å; F198-Y210 AromaticContact CG-CZ 3.28Å; F198-Y210 WeakPolarHBondContact CG-OH 3.5Å; F198-Y210 AromaticContact CZ-CD2 3.77Å; F198-Y210 HydrophobicContact CZ-CD2 3.77Å; F198-Y210 AromaticContact CZ-CE2 3.44Å; F198-Y210 HydrophobicContact CZ-CE2 3.44Å; F198-Y210 VanDerWaalsContact CZ-CE2 3.44Å
199K55.4Low68.9Low217 Ų217108.4 Ų108.494%0.94354%0.544SS*.SBendtrans-117.29.4168.5-81.8-174.4176.1179.20114
200A55Low68.2Low89 Ų89105.5 Ų105.574%0.73653%0.526SS*.  trans-138.636.5-166.400000116.5
201V60.8Low67.6Low53 Ų53108.2 Ų108.232%0.32155%0.545SS..  trans-92122.9170.8-171.50000109.8F198 T206 K207F198-V201 HydrophobicContact CD1-CG2 3.17Å; F198-V201 HydrophobicContact CE1-CB 4.47Å; F198-V201 HydrophobicContact CE1-CG2 2.97Å; F198-V201 HydrophobicContact CG-CG2 4.43Å; F198-V201 HydrophobicContact CZ-CG2 4.1Å; V201-T206 HydrophobicContact CG1-CG2 3.76Å; V201-K207 HydrophobicContact CG1-CB 4.49Å
202V58.2Low67.1Low146 Ų146106.8 Ų106.889%0.88555%0.545SS*.  trans-102.4-28.3-172.4-172.30000112.3
203D69.9Low66.8Low78 Ų78107.7 Ų107.742%0.41754%0.544SS..  trans-100.3150.1-17774.980.9000114T206 K207D203-T206 VanDerWaalsContact CG-CB 3.48Å; D203-T206 WeakPolarHBondContact OD1-CA 2.96Å; D203-T206 WeakPolarHBondContact OD1-CB 3.42Å; D203-T206 PolarHBondContact OD1-N 2.95Å; D203-T206 PolarHBondContact OD1-OG1 2.95Å; D203-T206 WeakPolarHBondContact OD2-CB 3.2Å; D203-T206 PolarHBondContact OD2-OG1 2.9Å; D203-K207 WeakPolarHBondContact O-CB 3.48Å; D203-K207 PolarHBondContact O-N 3.2Å; D203-K207 VanDerWaalsContact O-N 3.08Å
204Y62.7Low66.9Low191 Ų191106.8 Ų106.875%0.74954%0.542SS*.Hα-helixtrans-73.2-39.3-172.2-176.9-94.2000113.6K207 Y208Y204-K207 WeakPolarHBondContact O-CB 3.43Å; Y204-K207 PolarHBondContact O-N 3.5Å; Y204-Y208 PolarHBondContact O-N 3.08Å
205E66.8Low67.3Low157 Ų157105.3 Ų105.373%0.73454%0.535SS*.Hα-helixtrans-66-43.8-179.9-68.9-174.916800111.2K207 Y208 L209E205-K207 VanDerWaalsContact C-N 3.29Å; E205-K207 PolarHBondContact O-N 3.41Å; E205-Y208 PolarHBondContact O-N 2.88Å; E205-L209 PolarHBondContact O-N 3.26Å
206T69.1Low68.3Low64 Ų64106.6 Ų106.639%0.39354%0.539SS..Hα-helixtrans-63.6-38.2172.7-57.20000110.3V201 D203 Y208 Y210V201-T206 HydrophobicContact CG1-CG2 3.76Å; D203-T206 VanDerWaalsContact CG-CB 3.48Å; D203-T206 WeakPolarHBondContact OD1-CA 2.96Å; D203-T206 WeakPolarHBondContact OD1-CB 3.42Å; D203-T206 PolarHBondContact OD1-N 2.95Å; D203-T206 PolarHBondContact OD1-OG1 2.95Å; D203-T206 WeakPolarHBondContact OD2-CB 3.2Å; D203-T206 PolarHBondContact OD2-OG1 2.9Å; T206-Y208 VanDerWaalsContact C-N 3.33Å; T206-Y208 PolarHBondContact O-N 3.32Å; T206-Y210 WeakPolarHBondContact O-CA 3.34Å; T206-Y210 WeakPolarHBondContact O-CB 3.34Å; T206-Y210 PolarHBondContact O-N 3.28Å
207K72.4Confident69.6Low137 Ų137101.3 Ų101.360%0.59651%0.509SS*.Hα-helixtrans-60.6-39.9174.9-171.9179.5-179.3-179.40112.4V201 D203 Y204 E205 S211V201-K207 HydrophobicContact CG1-CB 4.49Å; D203-K207 WeakPolarHBondContact O-CB 3.48Å; D203-K207 PolarHBondContact O-N 3.2Å; D203-K207 VanDerWaalsContact O-N 3.08Å; Y204-K207 WeakPolarHBondContact O-CB 3.43Å; Y204-K207 PolarHBondContact O-N 3.5Å; E205-K207 VanDerWaalsContact C-N 3.29Å; E205-K207 PolarHBondContact O-N 3.41Å; K207-S211 WeakPolarHBondContact O-CB 3.36Å; K207-S211 PolarHBondContact O-N 2.9Å
208Y71.7Confident70.9Confident141 Ų141103.6 Ų103.655%0.55350%0.502SS*.Hα-helixtrans-69.1-52177.5179.8-100.2000112.5Y204 E205 T206 Y210 S211 I212Y204-Y208 PolarHBondContact O-N 3.08Å; E205-Y208 PolarHBondContact O-N 2.88Å; T206-Y208 VanDerWaalsContact C-N 3.33Å; T206-Y208 PolarHBondContact O-N 3.32Å; Y208-Y210 PolarHBondContact O-N 3.01Å; Y208-S211 PolarHBondContact O-N 2.78Å; Y208-S211 VanDerWaalsContact O-N 3.13Å; Y208-S211 PolarHBondContact O-OG 2.9Å; Y208-I212 HydrophobicContact CD1-CD1 3.89Å; Y208-I212 HydrophobicContact CE1-CD1 3.33Å; Y208-I212 HydrophobicContact CE1-CG1 4.41Å; Y208-I212 HydrophobicContact CE2-CD1 4.44Å; Y208-I212 PolarHBondContact O-N 2.94Å; Y208-I212 VanDerWaalsContact O-N 3.15Å
209L72.7Confident72.3Confident106 Ų106101.5 Ų101.556%0.55550%0.497SS*.Hα-helixtrans-60-35176.2-71.7172.5000111.7E205 K213E205-L209 PolarHBondContact O-N 3.26Å; L209-K213 WeakPolarHBondContact O-CG 3.32Å; L209-K213 PolarHBondContact O-N 2.97Å; L209-K213 VanDerWaalsContact O-N 3.09Å
210Y74.3Confident73.7Confident40 Ų4092.1 Ų92.116%0.15746%0.458CS..Hα-helixtrans-69.4-39.9176.1-173.7-97.6000112.6Y193 F198 T206 Y208 I212 K213 L214Y193-Y210 PolarHBondContact OH-OH 2.91Å; F198-Y210 HydrophobicContact CB-CE1 4.12Å; F198-Y210 WeakPolarHBondContact CB-OH 3.36Å; F198-Y210 AromaticContact CD1-CD1 3.94Å; F198-Y210 HydrophobicContact CD1-CD1 3.94Å; F198-Y210 AromaticContact CD1-CD2 3.79Å; F198-Y210 HydrophobicContact CD1-CD2 3.79Å; F198-Y210 AromaticContact CD1-CE1 3.46Å; F198-Y210 HydrophobicContact CD1-CE1 3.46Å; F198-Y210 VanDerWaalsContact CD1-CE1 3.46Å; F198-Y210 AromaticContact CD1-CE2 3.3Å; F198-Y210 HydrophobicContact CD1-CE2 3.3Å; F198-Y210 HydrophobicContact CD1-CG 4.08Å; F198-Y210 AromaticContact CD1-CZ 3.11Å; F198-Y210 WeakPolarHBondContact CD1-OH 3.4Å; F198-Y210 AromaticContact CD2-CE2 3.83Å; F198-Y210 HydrophobicContact CD2-CE2 3.83Å; F198-Y210 AromaticContact CD2-CZ 3.83Å; F198-Y210 WeakPolarHBondContact CD2-OH 2.95Å; F198-Y210 HydrophobicContact CE1-CD1 4.16Å; F198-Y210 AromaticContact CE1-CD2 3.29Å; F198-Y210 HydrophobicContact CE1-CD2 3.29Å; F198-Y210 HydrophobicContact CE1-CE1 4.03Å; F198-Y210 AromaticContact CE1-CE2 3.14Å; F198-Y210 HydrophobicContact CE1-CE2 3.14Å; F198-Y210 AromaticContact CE1-CG 3.82Å; F198-Y210 HydrophobicContact CE1-CG 3.82Å; F198-Y210 AromaticContact CE1-CZ 3.55Å; F198-Y210 AromaticContact CE2-CE2 3.76Å; F198-Y210 HydrophobicContact CE2-CE2 3.76Å; F198-Y210 AromaticContact CG-CE1 3.94Å; F198-Y210 HydrophobicContact CG-CE1 3.94Å; F198-Y210 AromaticContact CG-CE2 3.66Å; F198-Y210 HydrophobicContact CG-CE2 3.66Å; F198-Y210 AromaticContact CG-CZ 3.28Å; F198-Y210 WeakPolarHBondContact CG-OH 3.5Å; F198-Y210 AromaticContact CZ-CD2 3.77Å; F198-Y210 HydrophobicContact CZ-CD2 3.77Å; F198-Y210 AromaticContact CZ-CE2 3.44Å; F198-Y210 HydrophobicContact CZ-CE2 3.44Å; F198-Y210 VanDerWaalsContact CZ-CE2 3.44Å; T206-Y210 WeakPolarHBondContact O-CA 3.34Å; T206-Y210 WeakPolarHBondContact O-CB 3.34Å; T206-Y210 PolarHBondContact O-N 3.28Å; Y208-Y210 PolarHBondContact O-N 3.01Å; Y210-I212 VanDerWaalsContact C-N 3.29Å; Y210-I212 PolarHBondContact O-N 3.23Å; Y210-K213 PolarHBondContact O-N 2.9Å; Y210-L214 HydrophobicContact CE1-CB 4.38Å; Y210-L214 HydrophobicContact CE1-CD1 4.47Å; Y210-L214 HydrophobicContact CE1-CD2 4.25Å; Y210-L214 VanDerWaalsContact O-CB 3.29Å; Y210-L214 WeakPolarHBondContact O-CB 3.48Å; Y210-L214 PolarHBondContact O-N 3.25Å
211S74Confident75.3Confident57 Ų5791.5 Ų91.540%0.39944%0.439SS..Hα-helixtrans-62.7-38.7176.774.30000111.4K207 Y208 L214 Q215K207-S211 WeakPolarHBondContact O-CB 3.36Å; K207-S211 PolarHBondContact O-N 2.9Å; Y208-S211 PolarHBondContact O-N 2.78Å; Y208-S211 VanDerWaalsContact O-N 3.13Å; Y208-S211 PolarHBondContact O-OG 2.9Å; S211-L214 PolarHBondContact O-N 3.21Å; S211-Q215 WeakPolarHBondContact O-CB 3.36Å; S211-Q215 PolarHBondContact O-N 3.37Å
212I77.6Confident76.5Confident84 Ų8492 Ų9243%0.43144%0.437SS..Hα-helixtrans-61.5-49.9173-66.3166.5000110.8Y208 Y210 L214 Q215 F216Y208-I212 HydrophobicContact CD1-CD1 3.89Å; Y208-I212 HydrophobicContact CE1-CD1 3.33Å; Y208-I212 HydrophobicContact CE1-CG1 4.41Å; Y208-I212 HydrophobicContact CE2-CD1 4.44Å; Y208-I212 PolarHBondContact O-N 2.94Å; Y208-I212 VanDerWaalsContact O-N 3.15Å; Y210-I212 VanDerWaalsContact C-N 3.29Å; Y210-I212 PolarHBondContact O-N 3.23Å; I212-L214 PolarHBondContact O-N 2.81Å; I212-Q215 PolarHBondContact O-N 2.65Å; I212-F216 PolarHBondContact O-N 2.93Å
213K79.6Confident77.8Confident131 Ų13187.5 Ų87.557%0.5741%0.407SS*.Hα-helixtrans-57.4-50.3177-74.9175.7179.9178.10110.6L209 Y210 Q215 F216 F217L209-K213 WeakPolarHBondContact O-CG 3.32Å; L209-K213 PolarHBondContact O-N 2.97Å; L209-K213 VanDerWaalsContact O-N 3.09Å; Y210-K213 PolarHBondContact O-N 2.9Å; K213-Q215 VanDerWaalsContact C-N 3.29Å; K213-Q215 PolarHBondContact O-N 3.48Å; K213-F216 WeakPolarHBondContact O-CB 3.36Å; K213-F216 PolarHBondContact O-N 2.56Å; K213-F216 VanDerWaalsContact O-N 3.1Å; K213-F217 WeakPolarHBondContact O-CD2 3.37Å; K213-F217 PolarHBondContact O-N 3.46Å
214L80.9Confident78.7Confident26 Ų2686.4 Ų86.414%0.13640%0.4CS..Hα-helixtrans-58.5-42.3-179.2-170.667.7000111.8Y193 M195 Y210 S211 I212 F217 R218Y193-L214 HydrophobicContact CE1-CD1 3.83Å; M195-L214 HydrophobicContact CE-CD1 3.51Å; M195-L214 HydrophobicContact CE-CG 4.44Å; M195-L214 HydrophobicContact SD-CD1 3.68Å; M195-L214 HydrophobicContact SD-CG 4.4Å; Y210-L214 HydrophobicContact CE1-CB 4.38Å; Y210-L214 HydrophobicContact CE1-CD1 4.47Å; Y210-L214 HydrophobicContact CE1-CD2 4.25Å; Y210-L214 VanDerWaalsContact O-CB 3.29Å; Y210-L214 WeakPolarHBondContact O-CB 3.48Å; Y210-L214 PolarHBondContact O-N 3.25Å; S211-L214 PolarHBondContact O-N 3.21Å; I212-L214 PolarHBondContact O-N 2.81Å; L214-F217 PolarHBondContact O-N 2.88Å; L214-R218 WeakPolarHBondContact O-CB 3.29Å; L214-R218 VanDerWaalsContact O-CG 3.25Å; L214-R218 WeakPolarHBondContact O-CG 3.49Å; L214-R218 PolarHBondContact O-N 3.2Å
215Q79.7Confident79.9Confident108 Ų10882.6 Ų82.651%0.50539%0.388SS..Hα-helixtrans-64-42.8176.2-172.464.70.200111.4S211 I212 K213 R218 T219S211-Q215 WeakPolarHBondContact O-CB 3.36Å; S211-Q215 PolarHBondContact O-N 3.37Å; I212-Q215 PolarHBondContact O-N 2.65Å; K213-Q215 VanDerWaalsContact C-N 3.29Å; K213-Q215 PolarHBondContact O-N 3.48Å; Q215-R218 PolarHBondContact O-N 3.1Å; Q215-T219 WeakPolarHBondContact O-CB 3.37Å; Q215-T219 PolarHBondContact O-N 3.43Å; Q215-T219 PolarHBondContact O-OG1 3.05Å
216F83.6Confident81Confident98 Ų9875.1 Ų75.143%0.4335%0.353SS..Hα-helixtrans-57.2-52.2173.3172.3-94.6000111.7L186 I212 K213 R218 T219 V220L186-F216 HydrophobicContact CD2-CZ 4.4Å; I212-F216 PolarHBondContact O-N 2.93Å; K213-F216 WeakPolarHBondContact O-CB 3.36Å; K213-F216 PolarHBondContact O-N 2.56Å; K213-F216 VanDerWaalsContact O-N 3.1Å; F216-R218 VanDerWaalsContact C-N 3.35Å; F216-R218 PolarHBondContact O-N 3.33Å; F216-T219 PolarHBondContact O-N 2.93Å; F216-V220 HydrophobicContact CD1-CG2 4.45Å; F216-V220 HydrophobicContact CD2-CG2 4.23Å; F216-V220 HydrophobicContact CE1-CG2 4.08Å; F216-V220 HydrophobicContact CE2-CG2 3.84Å; F216-V220 HydrophobicContact CZ-CG2 3.76Å; F216-V220 WeakPolarHBondContact O-CG2 3.46Å; F216-V220 PolarHBondContact O-N 3.22Å
217F85.6Confident81.9Confident31 Ų3173.9 Ų73.914%0.13635%0.347CS..Hα-helixtrans-57.5-45.9178.7-85.6-80.1000112L189 C190 Y193 K213 L214 K221L189-F217 HydrophobicContact CD2-CE1 4.3Å; L189-F217 HydrophobicContact CD2-CZ 4.14Å; L189-F217 HydrophobicContact CG-CE1 4.11Å; L189-F217 HydrophobicContact CG-CZ 4.41Å; C190-F217 HydrophobicContact CB-CD1 4.03Å; C190-F217 HydrophobicContact CB-CE1 4.28Å; C190-F217 VanDerWaalsContact SG-CD1 3.56Å; C190-F217 VanDerWaalsContact SG-CE1 3.53Å; Y193-F217 HydrophobicContact CD1-CB 3.97Å; Y193-F217 HydrophobicContact CD1-CD1 4.09Å; Y193-F217 HydrophobicContact CD1-CG 4.07Å; Y193-F217 HydrophobicContact CD2-CD1 4.09Å; Y193-F217 HydrophobicContact CD2-CE1 4.15Å; Y193-F217 HydrophobicContact CD2-CG 4.47Å; Y193-F217 HydrophobicContact CE1-CB 4.28Å; Y193-F217 HydrophobicContact CE1-CG 4.38Å; Y193-F217 HydrophobicContact CG-CB 4.45Å; Y193-F217 AromaticContact CG-CD1 3.72Å; Y193-F217 HydrophobicContact CG-CD1 3.72Å; Y193-F217 HydrophobicContact CG-CE1 4.19Å; Y193-F217 HydrophobicContact CG-CG 4.12Å; K213-F217 WeakPolarHBondContact O-CD2 3.37Å; K213-F217 PolarHBondContact O-N 3.46Å; L214-F217 PolarHBondContact O-N 2.88Å; F217-K221 VanDerWaalsContact O-CB 3.3Å; F217-K221 WeakPolarHBondContact O-CB 3.39Å; F217-K221 PolarHBondContact O-N 3.29Å
218R83.8Confident82.6Confident123 Ų12369.7 Ų69.746%0.46434%0.342SS..Hα-helixtrans-61.3-46.7177.1-75.6173.4175.1169.6-1.3112.2M195 L214 Q215 F216 K221 K222M195-R218 HydrophobicContact CE-CG 3.62Å; M195-R218 HydrophobicContact SD-CG 4.01Å; M195-R218 PolarHBondContact SD-NE 2.8Å; M195-R218 PolarHBondContact SD-NH2 2.76Å; M195-R218 VanDerWaalsContact SD-NH2 3.44Å; L214-R218 WeakPolarHBondContact O-CB 3.29Å; L214-R218 VanDerWaalsContact O-CG 3.25Å; L214-R218 WeakPolarHBondContact O-CG 3.49Å; L214-R218 PolarHBondContact O-N 3.2Å; Q215-R218 PolarHBondContact O-N 3.1Å; F216-R218 VanDerWaalsContact C-N 3.35Å; F216-R218 PolarHBondContact O-N 3.33Å; R218-K221 PolarHBondContact O-N 2.83Å; R218-K222 WeakPolarHBondContact O-CB 3.4Å; R218-K222 PolarHBondContact O-N 2.61Å
219T83.8Confident83.4Confident54 Ų5465 Ų6533%0.33133%0.328SS..Hα-helixtrans-64.3-46.9-179.1-63.30000111.2Q215 F216 K221 K222 I223Q215-T219 WeakPolarHBondContact O-CB 3.37Å; Q215-T219 PolarHBondContact O-N 3.43Å; Q215-T219 PolarHBondContact O-OG1 3.05Å; F216-T219 PolarHBondContact O-N 2.93Å; T219-K221 PolarHBondContact O-N 3.04Å; T219-K222 WeakPolarHBondContact O-CB 3.39Å; T219-K222 PolarHBondContact O-N 2.89Å; T219-I223 HydrophobicContact CG2-CD1 4.06Å; T219-I223 WeakPolarHBondContact O-CG1 3.2Å; T219-I223 PolarHBondContact O-N 3.38Å
220V86.4Confident84.2Confident20 Ų2066.4 Ų66.412%0.12133%0.33CS..Hα-helixtrans-61.1-45.8177.5173.80000110.8L187 C190 F216 K222 I223 M224L187-V220 HydrophobicContact CD2-CG1 3.8Å; C190-V220 HydrophobicContact CB-CB 4.19Å; C190-V220 HydrophobicContact CB-CG1 3.67Å; F216-V220 HydrophobicContact CD1-CG2 4.45Å; F216-V220 HydrophobicContact CD2-CG2 4.23Å; F216-V220 HydrophobicContact CE1-CG2 4.08Å; F216-V220 HydrophobicContact CE2-CG2 3.84Å; F216-V220 HydrophobicContact CZ-CG2 3.76Å; F216-V220 WeakPolarHBondContact O-CG2 3.46Å; F216-V220 PolarHBondContact O-N 3.22Å; V220-K222 VanDerWaalsContact C-N 3.3Å; V220-K222 PolarHBondContact O-N 2.81Å; V220-I223 WeakPolarHBondContact O-CB 3.48Å; V220-I223 PolarHBondContact O-N 2.78Å; V220-M224 HydrophobicContact CG1-CG 4.37Å; V220-M224 HydrophobicContact CG1-SD 3.89Å; V220-M224 VanDerWaalsContact O-CG 3.29Å; V220-M224 WeakPolarHBondContact O-CG 3.49Å; V220-M224 PolarHBondContact O-N 3.33Å
221K87.3Confident84.8Confident76 Ų7667.6 Ų67.633%0.3335%0.354SS..Hα-helixtrans-60.9-38.8176.7-171.5166.6-177.7149.90112.2W191 Y193 F217 R218 T219 M224 K225W191-K221 WeakPolarHBondContact O-CE 3.29Å; W191-K221 PolarHBondContact O-NZ 3.45Å; Y193-K221 PolarHBondContact O-NZ 2.77Å; F217-K221 VanDerWaalsContact O-CB 3.3Å; F217-K221 WeakPolarHBondContact O-CB 3.39Å; F217-K221 PolarHBondContact O-N 3.29Å; R218-K221 PolarHBondContact O-N 2.83Å; T219-K221 PolarHBondContact O-N 3.04Å; K221-M224 PolarHBondContact O-N 3.22Å; K221-K225 WeakPolarHBondContact O-CB 3.39Å; K221-K225 PolarHBondContact O-N 3.25Å
222K85.7Confident85.3Confident64 Ų6465.1 Ų65.128%0.27834%0.337SS..Hα-helixtrans-65.8-43.1176-167.2-177.9-174.9-170.70112.1F123 R218 T219 V220 K225 S226F123-K222 HydrophobicContact CB-CD 4.34Å; F123-K222 HydrophobicContact CB-CG 4.32Å; F123-K222 HydrophobicContact CD1-CD 4.11Å; F123-K222 HydrophobicContact CD1-CG 3.9Å; F123-K222 HydrophobicContact CD2-CD 3.77Å; F123-K222 HydrophobicContact CD2-CG 4.43Å; F123-K222 HydrophobicContact CE1-CD 4.31Å; F123-K222 HydrophobicContact CE1-CG 4.27Å; F123-K222 HydrophobicContact CE2-CD 3.97Å; F123-K222 HydrophobicContact CG-CD 3.8Å; F123-K222 VanDerWaalsContact CG-CE 3.46Å; F123-K222 HydrophobicContact CG-CG 3.97Å; F123-K222 HydrophobicContact CZ-CD 4.23Å; R218-K222 WeakPolarHBondContact O-CB 3.4Å; R218-K222 PolarHBondContact O-N 2.61Å; T219-K222 WeakPolarHBondContact O-CB 3.39Å; T219-K222 PolarHBondContact O-N 2.89Å; V220-K222 VanDerWaalsContact C-N 3.3Å; V220-K222 PolarHBondContact O-N 2.81Å; K222-K225 PolarHBondContact O-N 3.49Å; K222-S226 VanDerWaalsContact O-CB 3.28Å; K222-S226 WeakPolarHBondContact O-CB 3.29Å; K222-S226 PolarHBondContact O-N 2.86Å; K222-S226 PolarHBondContact O-OG 3.05Å
223I86.3Confident85.5Confident52 Ų5266.3 Ų66.327%0.26734%0.341SS..Hα-helixtrans-57.6-53172.5-69.8166.7000109.3F123 T219 V220 K225 S226 S227 S235F123-I223 HydrophobicContact CE1-CG1 3.69Å; F123-I223 HydrophobicContact CZ-CG1 4.38Å; T219-I223 HydrophobicContact CG2-CD1 4.06Å; T219-I223 WeakPolarHBondContact O-CG1 3.2Å; T219-I223 PolarHBondContact O-N 3.38Å; V220-I223 WeakPolarHBondContact O-CB 3.48Å; V220-I223 PolarHBondContact O-N 2.78Å; I223-K225 PolarHBondContact O-N 2.89Å; I223-S226 PolarHBondContact O-N 2.93Å; I223-S226 VanDerWaalsContact O-N 3.1Å; I223-S227 PolarHBondContact O-N 3.08Å; I223-S235 WeakPolarHBondContact CG2-OG 3.49Å; I223-S235 PolarHBondContact O-OG 3.36Å
224M88.1Confident85.8Confident55 Ų5560.1 Ų60.127%0.27131%0.314SS..Hα-helixtrans-60-43.2-179.1-68.1174.170.500112.7L187 W191 V220 K221 S226L187-M224 HydrophobicContact CB-CE 4.15Å; L187-M224 HydrophobicContact CB-SD 4.21Å; L187-M224 HydrophobicContact CD2-SD 4.1Å; W191-M224 HydrophobicContact CB-CE 3.91Å; W191-M224 HydrophobicContact CD2-CE 4.2Å; W191-M224 HydrophobicContact CE3-CB 3.78Å; W191-M224 HydrophobicContact CE3-CE 3.69Å; W191-M224 HydrophobicContact CE3-SD 4.21Å; W191-M224 HydrophobicContact CG-CE 4.33Å; W191-M224 HydrophobicContact CZ3-CB 3.7Å; V220-M224 HydrophobicContact CG1-CG 4.37Å; V220-M224 HydrophobicContact CG1-SD 3.89Å; V220-M224 VanDerWaalsContact O-CG 3.29Å; V220-M224 WeakPolarHBondContact O-CG 3.49Å; V220-M224 PolarHBondContact O-N 3.33Å; K221-M224 PolarHBondContact O-N 3.22Å; M224-S226 VanDerWaalsContact C-N 3.29Å; M224-S226 PolarHBondContact O-N 3.21Å
225K87.6Confident86.1Confident111 Ų11158.9 Ų58.948%0.48331%0.308SS..Hα-helixtrans-64.3-35.2176.7-176.9-175.3172.9-1540112G125 W191 K221 K222 I223 T229G125-K225 WeakPolarHBondContact O-CD 3.32Å; G125-K225 WeakPolarHBondContact O-CE 3.2Å; G125-K225 PolarHBondContact O-NZ 3.47Å; W191-K225 HydrophobicContact CZ3-CB 4.44Å; K221-K225 WeakPolarHBondContact O-CB 3.39Å; K221-K225 PolarHBondContact O-N 3.25Å; K222-K225 PolarHBondContact O-N 3.49Å; I223-K225 PolarHBondContact O-N 2.89Å; K225-T229 PolarHBondContact O-OG1 3.16Å; K225-T229 VanDerWaalsContact O-OG1 3.11Å
226S89.9Confident86.4Confident0 Ų054.9 Ų54.90%029%0.289CS..Hα-helixtrans-81-29.5-176.9-56.90000112.7G125 K222 I223 M224 G228 T229 S235G125-S226 WeakPolarHBondContact CA-OG 3.46Å; G125-S226 VanDerWaalsContact N-CB 3.32Å; G125-S226 PolarHBondContact N-OG 3.01Å; K222-S226 VanDerWaalsContact O-CB 3.28Å; K222-S226 WeakPolarHBondContact O-CB 3.29Å; K222-S226 PolarHBondContact O-N 2.86Å; K222-S226 PolarHBondContact O-OG 3.05Å; I223-S226 PolarHBondContact O-N 2.93Å; I223-S226 VanDerWaalsContact O-N 3.1Å; M224-S226 VanDerWaalsContact C-N 3.29Å; M224-S226 PolarHBondContact O-N 3.21Å; S226-G228 PolarHBondContact O-N 2.84Å; S226-T229 VanDerWaalsContact O-CB 3.26Å; S226-T229 WeakPolarHBondContact O-CB 2.94Å; S226-T229 PolarHBondContact O-N 3.01Å; S226-T229 VanDerWaalsContact O-N 3.09Å; S226-T229 PolarHBondContact O-OG1 3.22Å; S226-S235 WeakPolarHBondContact CB-O 3.47Å
227S87.9Confident86.5Confident38 Ų3851 Ų5127%0.26627%0.272SS..THydrogen-bonded Turntrans-58.3130.3177.7-171.90000111.5I223 T229 T234I223-S227 PolarHBondContact O-N 3.08Å; S227-T229 PolarHBondContact O-N 2.89Å; S227-T234 WeakPolarHBondContact CA-O 3.26Å
228G87.4Confident86.3Confident49 Ų4949.6 Ų49.651%0.50527%0.266SS..THydrogen-bonded Turntrans78.5-10.3-177.600000115.2S226 F230 G231 C232S226-G228 PolarHBondContact O-N 2.84Å; G228-F230 PolarHBondContact O-N 3.1Å; G228-G231 PolarHBondContact O-N 2.73Å; G228-G231 VanDerWaalsContact O-N 3.17Å; G228-C232 WeakPolarHBondContact CA-O 3.5Å; G228-C232 PolarHBondContact N-O 3.22Å; G228-C232 VanDerWaalsContact N-O 3.13Å
229T89.7Confident86.2Confident42 Ų4243.7 Ų43.726%0.25824%0.244SC..G310 helixtrans-65135.3173.5-550000109.2A124 K225 S226 S227 G231 C232A124-T229 HydrophobicContact CB-CG2 4.36Å; K225-T229 PolarHBondContact O-OG1 3.16Å; K225-T229 VanDerWaalsContact O-OG1 3.11Å; S226-T229 VanDerWaalsContact O-CB 3.26Å; S226-T229 WeakPolarHBondContact O-CB 2.94Å; S226-T229 PolarHBondContact O-N 3.01Å; S226-T229 VanDerWaalsContact O-N 3.09Å; S226-T229 PolarHBondContact O-OG1 3.22Å; S227-T229 PolarHBondContact O-N 2.89Å; T229-G231 PolarHBondContact O-N 3.44Å; T229-G231 VanDerWaalsContact O-N 3.1Å; T229-C232 VanDerWaalsContact O-CB 3.31Å; T229-C232 WeakPolarHBondContact O-CB 3.39Å; T229-C232 PolarHBondContact O-N 3.08Å; T229-C232 PolarHBondContact O-SG 3.21Å
230F89.7Confident85.9Confident135 Ų13542.3 Ų42.359%0.59223%0.234SC*.G310 helixtrans55.520.4-173.3-47.4-63.9000115A124 T129 I133 G228 C232 L237A124-F230 HydrophobicContact CB-CD2 4.16Å; A124-F230 HydrophobicContact CB-CE2 4.5Å; A124-F230 WeakPolarHBondContact O-CE2 3.5Å; T129-F230 HydrophobicContact CG2-CE2 3.87Å; T129-F230 HydrophobicContact CG2-CZ 4.14Å; I133-F230 HydrophobicContact CD1-CZ 4.09Å; G228-F230 PolarHBondContact O-N 3.1Å; F230-C232 VanDerWaalsContact C-N 3.25Å; F230-C232 PolarHBondContact O-N 3.38Å; F230-L237 HydrophobicContact CD2-CD1 4.15Å; F230-L237 HydrophobicContact CE2-CD1 4.31Å
231G86.3Confident85.3Confident65 Ų6545 Ų4567%0.6724%0.242SC*.G310 helixtrans76.29.7-175.700000114.3G228 T229 Q233G228-G231 PolarHBondContact O-N 2.73Å; G228-G231 VanDerWaalsContact O-N 3.17Å; T229-G231 PolarHBondContact O-N 3.44Å; T229-G231 VanDerWaalsContact O-N 3.1Å; G231-Q233 PolarHBondContact O-N 3.23Å
232C84.1Confident84.6Confident5 Ų541.4 Ų41.43%0.03423%0.227CC..  trans-61.3127.3177.4-62.30000110.6G228 T229 F230 T234 L237G228-C232 WeakPolarHBondContact CA-O 3.5Å; G228-C232 PolarHBondContact N-O 3.22Å; G228-C232 VanDerWaalsContact N-O 3.13Å; T229-C232 VanDerWaalsContact O-CB 3.31Å; T229-C232 WeakPolarHBondContact O-CB 3.39Å; T229-C232 PolarHBondContact O-N 3.08Å; T229-C232 PolarHBondContact O-SG 3.21Å; F230-C232 VanDerWaalsContact C-N 3.25Å; F230-C232 PolarHBondContact O-N 3.38Å; C232-T234 WeakPolarHBondContact CB-O 3.09Å; C232-T234 PolarHBondContact O-N 3.19Å; C232-L237 WeakPolarHBondContact SG-CD2 3.49Å
233Q81.4Confident84.1Confident110 Ų11038.4 Ų38.451%0.51421%0.213SC..SBendtrans-68.8-28.9172.2-64.8-167.33.900112G231G231-Q233 PolarHBondContact O-N 3.23Å
234T86.2Confident83.8Confident1 Ų136 Ų361%0.00620%0.201CC..SBendtrans-103.6-158.4173.874.20000110.1V146 V149 L164 S227 C232 F236V146-T234 HydrophobicContact CG1-CG2 4.36Å; V146-T234 WeakPolarHBondContact O-CB 3.18Å; V146-T234 WeakPolarHBondContact O-CG2 3.27Å; V146-T234 PolarHBondContact O-OG1 3.34Å; V149-T234 HydrophobicContact CG2-CG2 4.03Å; L164-T234 HydrophobicContact CD1-CG2 3.77Å; S227-T234 WeakPolarHBondContact CA-O 3.26Å; C232-T234 WeakPolarHBondContact CB-O 3.09Å; C232-T234 PolarHBondContact O-N 3.19Å; T234-F236 PolarHBondContact OG1-N 3.15Å
235S87.6Confident83.7Confident0 Ų035 Ų350%020%0.197CC..SBendtrans-109.53.7179.8-61.20000113.4F123 A124 I223 S226F123-S235 WeakPolarHBondContact CA-O 3.44Å; A124-S235 PolarHBondContact N-O 3.39Å; I223-S235 WeakPolarHBondContact CG2-OG 3.49Å; I223-S235 PolarHBondContact O-OG 3.36Å; S226-S235 WeakPolarHBondContact CB-O 3.47Å
236F86.3Confident83.7Confident24 Ų2430 Ų3011%0.10518%0.176CC..EExtended strand (participates in β ladder)trans-125.5144.6-163.5-55-72.8000112.3L121 I122 F123 V146 V149 T234L121-F236 HydrophobicContact CB-CB 4.11Å; L121-F236 HydrophobicContact CB-CD1 3.92Å; L121-F236 HydrophobicContact CB-CG 4.24Å; L121-F236 HydrophobicContact CD1-CB 4.1Å; L121-F236 HydrophobicContact CD1-CD1 4.22Å; L121-F236 HydrophobicContact CD1-CD2 4.33Å; L121-F236 HydrophobicContact CD1-CG 3.97Å; L121-F236 HydrophobicContact CD2-CB 4.47Å; L121-F236 HydrophobicContact CG-CB 4.46Å; I122-F236 CarbonylContact O-C 3.59Å; I122-F236 WeakPolarHBondContact O-CA 3.47Å; F123-F236 HydrophobicContact CD1-CD1 4.21Å; F123-F236 AromaticContact CD1-CE1 3.88Å; F123-F236 HydrophobicContact CD1-CE1 3.88Å; F123-F236 HydrophobicContact CD2-CE1 4.46Å; F123-F236 HydrophobicContact CE1-CD1 4.19Å; F123-F236 AromaticContact CE1-CE1 3.41Å; F123-F236 HydrophobicContact CE1-CE1 3.41Å; F123-F236 VanDerWaalsContact CE1-CE1 3.41Å; F123-F236 AromaticContact CE1-CZ 3.99Å; F123-F236 HydrophobicContact CE1-CZ 3.99Å; F123-F236 HydrophobicContact CE2-CE1 4.08Å; F123-F236 HydrophobicContact CG-CE1 4.39Å; F123-F236 HydrophobicContact CZ-CD1 4.49Å; F123-F236 AromaticContact CZ-CE1 3.55Å; F123-F236 HydrophobicContact CZ-CE1 3.55Å; F123-F236 HydrophobicContact CZ-CZ 4.24Å; V146-F236 HydrophobicContact CB-CB 3.9Å; V146-F236 HydrophobicContact CG2-CB 3.53Å; V146-F236 PolarHBondContact N-O 3.48Å; V149-F236 HydrophobicContact CG2-CD2 4.26Å; V149-F236 HydrophobicContact CG2-CE2 4.06Å; T234-F236 PolarHBondContact OG1-N 3.15Å
237L85.5Confident83.8Confident16 Ų1630 Ų308%0.08418%0.176CC..EExtended strand (participates in β ladder)trans-114.7149.9172.2-63.8174.6000109.2I122 A124 F143 K144 F230 C232I122-L237 HydrophobicContact CB-CB 4.32Å; I122-L237 PolarHBondContact N-O 2.83Å; I122-L237 PolarHBondContact O-N 2.91Å; A124-L237 HydrophobicContact CB-CD1 4.16Å; A124-L237 HydrophobicContact CB-CG 3.99Å; F143-L237 HydrophobicContact CB-CB 4.38Å; F143-L237 HydrophobicContact CB-CD2 4.48Å; F143-L237 HydrophobicContact CD1-CB 4.23Å; K144-L237 CarbonylContact O-C 3.52Å; F230-L237 HydrophobicContact CD2-CD1 4.15Å; F230-L237 HydrophobicContact CE2-CD1 4.31Å; C232-L237 WeakPolarHBondContact SG-CD2 3.49Å
238W81.4Confident84Confident1 Ų132.5 Ų32.50%0.00418%0.183CC..EExtended strand (participates in β ladder)trans-122127.2175.5174.2-103.2000109.7F110 V119 L121 F143 K144 M240 F350 I367F110-W238 HydrophobicContact CE1-CH2 4.39Å; F110-W238 AromaticContact CE2-CH2 3.47Å; F110-W238 HydrophobicContact CE2-CH2 3.47Å; F110-W238 VanDerWaalsContact CE2-CH2 3.47Å; F110-W238 HydrophobicContact CE2-CZ2 4.24Å; F110-W238 HydrophobicContact CE2-CZ3 4.31Å; F110-W238 AromaticContact CZ-CH2 3.2Å; F110-W238 HydrophobicContact CZ-CH2 3.2Å; F110-W238 AromaticContact CZ-CZ2 3.97Å; F110-W238 HydrophobicContact CZ-CZ2 3.97Å; F110-W238 AromaticContact CZ-CZ3 3.77Å; F110-W238 HydrophobicContact CZ-CZ3 3.77Å; V119-W238 HydrophobicContact CG1-CZ3 4.14Å; L121-W238 HydrophobicContact CD2-CE3 3.98Å; F143-W238 CarbonylContact C-O 3.58Å; F143-W238 WeakPolarHBondContact CA-O 3.33Å; K144-W238 PolarHBondContact N-O 3.06Å; K144-W238 PolarHBondContact O-N 2.92Å; W238-M240 PolarHBondContact O-N 2.83Å; W238-F350 HydrophobicContact CB-CE2 4.15Å; W238-F350 HydrophobicContact CB-CZ 4.46Å; W238-F350 AromaticContact CD1-CZ 3.63Å; W238-F350 HydrophobicContact CD2-CD2 4.17Å; W238-F350 HydrophobicContact CD2-CE1 4.18Å; W238-F350 AromaticContact CD2-CE2 3.21Å; W238-F350 HydrophobicContact CD2-CE2 3.21Å; W238-F350 AromaticContact CD2-CZ 3.27Å; W238-F350 HydrophobicContact CD2-CZ 3.27Å; W238-F350 AromaticContact CE2-CE1 3.6Å; W238-F350 AromaticContact CE2-CE2 3.55Å; W238-F350 AromaticContact CE2-CZ 3.09Å; W238-F350 AromaticContact CE3-CD2 3.89Å; W238-F350 HydrophobicContact CE3-CD2 3.89Å; W238-F350 AromaticContact CE3-CE2 3.36Å; W238-F350 HydrophobicContact CE3-CE2 3.36Å; W238-F350 AromaticContact CE3-CZ 3.86Å; W238-F350 HydrophobicContact CE3-CZ 3.86Å; W238-F350 AromaticContact CG-CE2 3.59Å; W238-F350 HydrophobicContact CG-CE2 3.59Å; W238-F350 AromaticContact CG-CZ 3.56Å; W238-F350 HydrophobicContact CG-CZ 3.56Å; W238-F350 AromaticContact CH2-CD1 3.98Å; W238-F350 HydrophobicContact CH2-CD1 3.98Å; W238-F350 AromaticContact CH2-CD2 3.98Å; W238-F350 HydrophobicContact CH2-CD2 3.98Å; W238-F350 AromaticContact CH2-CE1 3.87Å; W238-F350 HydrophobicContact CH2-CE1 3.87Å; W238-F350 AromaticContact CH2-CE2 3.86Å; W238-F350 HydrophobicContact CH2-CE2 3.86Å; W238-F350 HydrophobicContact CH2-CG 4.05Å; W238-F350 AromaticContact CH2-CZ 3.86Å; W238-F350 HydrophobicContact CH2-CZ 3.86Å; W238-F350 HydrophobicContact CZ2-CD1 4.01Å; W238-F350 HydrophobicContact CZ2-CD2 4.41Å; W238-F350 AromaticContact CZ2-CE1 3.45Å; W238-F350 HydrophobicContact CZ2-CE1 3.45Å; W238-F350 VanDerWaalsContact CZ2-CE1 3.45Å; W238-F350 AromaticContact CZ2-CE2 3.89Å; W238-F350 HydrophobicContact CZ2-CE2 3.89Å; W238-F350 HydrophobicContact CZ2-CG 4.46Å; W238-F350 AromaticContact CZ2-CZ 3.43Å; W238-F350 HydrophobicContact CZ2-CZ 3.43Å; W238-F350 VanDerWaalsContact CZ2-CZ 3.43Å; W238-F350 AromaticContact CZ3-CD2 3.78Å; W238-F350 HydrophobicContact CZ3-CD2 3.78Å; W238-F350 AromaticContact CZ3-CE2 3.67Å; W238-F350 HydrophobicContact CZ3-CE2 3.67Å; W238-F350 HydrophobicContact CZ3-CG 4.26Å; W238-F350 HydrophobicContact CZ3-CZ 4.12Å; W238-F350 AromaticContact NE1-CE1 3.97Å; W238-F350 AromaticContact NE1-CZ 3.36Å; W238-I367 HydrophobicContact CH2-CD1 4.43Å
239P81.4Confident84.4Confident0 Ų030.4 Ų30.40%016%0.161CC..EExtended strand (participates in β ladder)trans-68.4122.2172.527.5-30.9000109.9V141 E142 F143 G242 C243 L246V141-P239 HydrophobicContact CG1-CB 3.98Å; E142-P239 CarbonylContact O-C 3.23Å; E142-P239 WeakPolarHBondContact O-CA 3.41Å; F143-P239 HydrophobicContact CD1-CB 4.18Å; F143-P239 HydrophobicContact CE1-CB 3.92Å; P239-G242 PolarHBondContact O-N 3.03Å; P239-C243 HydrophobicContact CG-CB 4.42Å; P239-C243 WeakPolarHBondContact CG-SG 3.45Å; P239-L246 HydrophobicContact CB-CG 4.41Å; P239-L246 HydrophobicContact CG-CD1 4.28Å
240M77Confident84.7Confident24 Ų2428.8 Ų28.812%0.11815%0.15CC..THydrogen-bonded Turntrans-56.4140.5169.2-64.5-64-73.400108.2E142 K144 W238 G242 L354E142-M240 HydrophobicContact CB-CB 4.04Å; E142-M240 HydrophobicContact CB-CG 4.01Å; E142-M240 WeakPolarHBondContact O-CB 3.46Å; E142-M240 PolarHBondContact O-N 3.3Å; K144-M240 HydrophobicContact CB-SD 3.67Å; K144-M240 HydrophobicContact CD-SD 4.44Å; W238-M240 PolarHBondContact O-N 2.83Å; M240-G242 PolarHBondContact O-N 3.03Å; M240-L354 HydrophobicContact CE-CD1 4.48Å
241Y74.2Confident84.9Confident78 Ų7822.5 Ų22.531%0.30612%0.123SC..THydrogen-bonded Turntrans71.1-2.3-172.9-41.7-72.1000116.5L106L106-Y241 HydrophobicContact CD1-CD1 3.83Å
242G74Confident85.4Confident0 Ų026.7 Ų26.70%012%0.119CC..  trans93.2178.2174.400000113.6P239 M240 G244 D245P239-G242 PolarHBondContact O-N 3.03Å; M240-G242 PolarHBondContact O-N 3.03Å; G242-G244 PolarHBondContact O-N 3.25Å; G242-D245 VanDerWaalsContact O-CB 3.29Å; G242-D245 WeakPolarHBondContact O-CB 3.48Å; G242-D245 PolarHBondContact O-N 2.75Å
243C74.6Confident86Confident0 Ų026.8 Ų26.80%012%0.119CC..THydrogen-bonded Turntrans-81.4-14-167.9-64.60000115F110 Q120 P239 D245 L246F110-C243 HydrophobicContact CE1-CB 3.69Å; F110-C243 VanDerWaalsContact CE1-SG 3.55Å; Q120-C243 HydrophobicContact CB-CB 4.36Å; Q120-C243 WeakPolarHBondContact CB-SG 3.1Å; Q120-C243 PolarHBondContact OE1-SG 2.86Å; P239-C243 HydrophobicContact CG-CB 4.42Å; P239-C243 WeakPolarHBondContact CG-SG 3.45Å; C243-D245 PolarHBondContact O-N 3.18Å; C243-L246 HydrophobicContact CB-CD1 4.21Å; C243-L246 WeakPolarHBondContact O-CB 3.43Å; C243-L246 PolarHBondContact O-N 3.31Å
244G80.3Confident86.7Confident1 Ų121.5 Ų21.51%0.0110%0.095CC..Hα-helixtrans-59.2-24.7168.600000112.2W50 S52 G242 L246 A247 Q248W50-G244 VanDerWaalsContact O-CA 3.26Å; W50-G244 WeakPolarHBondContact O-CA 3.12Å; W50-G244 PolarHBondContact O-N 2.99Å; S52-G244 PolarHBondContact OG-N 3.19Å; G242-G244 PolarHBondContact O-N 3.25Å; G244-L246 VanDerWaalsContact C-N 3.33Å; G244-A247 PolarHBondContact O-N 3.48Å; G244-Q248 WeakPolarHBondContact O-CG 3.32Å; G244-Q248 PolarHBondContact O-N 3.21Å
245D84.6Confident87.2Confident35 Ų3523.9 Ų23.919%0.18711%0.114CC..Hα-helixtrans-68-32.4176-156.735.1000112.1G242 C243 Q248 A249G242-D245 VanDerWaalsContact O-CB 3.29Å; G242-D245 WeakPolarHBondContact O-CB 3.48Å; G242-D245 PolarHBondContact O-N 2.75Å; C243-D245 PolarHBondContact O-N 3.18Å; D245-Q248 PolarHBondContact O-N 3.38Å; D245-A249 VanDerWaalsContact O-CB 3.23Å; D245-A249 WeakPolarHBondContact O-CB 3.42Å; D245-A249 PolarHBondContact O-N 3Å
246L89.2Confident87.6Confident7 Ų728.1 Ų28.14%0.03714%0.14CC..Hα-helixtrans-63.8-46174.7-64.1166.7000111.4L21 I122 L132 V141 F143 P239 C243 G244 Q248 A249 F250L21-L246 HydrophobicContact CD1-CB 3.77Å; L21-L246 HydrophobicContact CD2-CD1 4.49Å; I122-L246 HydrophobicContact CD1-CD1 3.94Å; I122-L246 HydrophobicContact CD1-CD2 4.29Å; L132-L246 HydrophobicContact CD1-CD2 4.29Å; L132-L246 HydrophobicContact CD2-CD2 3.99Å; V141-L246 HydrophobicContact CG1-CD2 4.15Å; V141-L246 HydrophobicContact CG2-CD2 4.31Å; F143-L246 HydrophobicContact CE1-CD2 4.21Å; F143-L246 HydrophobicContact CZ-CD2 4Å; P239-L246 HydrophobicContact CB-CG 4.41Å; P239-L246 HydrophobicContact CG-CD1 4.28Å; C243-L246 HydrophobicContact CB-CD1 4.21Å; C243-L246 WeakPolarHBondContact O-CB 3.43Å; C243-L246 PolarHBondContact O-N 3.31Å; G244-L246 VanDerWaalsContact C-N 3.33Å; L246-Q248 VanDerWaalsContact C-N 3.32Å; L246-Q248 PolarHBondContact O-N 3.41Å; L246-A249 PolarHBondContact O-N 3.34Å; L246-F250 VanDerWaalsContact O-CD2 3.3Å; L246-F250 WeakPolarHBondContact O-CD2 2.92Å; L246-F250 PolarHBondContact O-N 3.23Å
247A90.9Very high88Confident0 Ų030.8 Ų30.80%015%0.152CC..Hα-helixtrans-62.1-41.8178.700000111.3C24 G244 S251C24-A247 PolarHBondContact SG-O 2.93Å; C24-A247 VanDerWaalsContact SG-O 3.39Å; G244-A247 PolarHBondContact O-N 3.48Å; A247-S251 WeakPolarHBondContact O-CB 3.37Å; A247-S251 PolarHBondContact O-N 2.83Å; A247-S251 PolarHBondContact O-OG 2.85Å
248Q92.8Very high88.5Confident90 Ų9032.8 Ų32.842%0.42118%0.176SC..Hα-helixtrans-64.5-41.6174.9-71.6179.562.700112.3Y46 G244 D245 L246 S251 R252Y46-Q248 HydrophobicContact CD2-CG 3.93Å; Y46-Q248 HydrophobicContact CG-CG 3.85Å; G244-Q248 WeakPolarHBondContact O-CG 3.32Å; G244-Q248 PolarHBondContact O-N 3.21Å; D245-Q248 PolarHBondContact O-N 3.38Å; L246-Q248 VanDerWaalsContact C-N 3.32Å; L246-Q248 PolarHBondContact O-N 3.41Å; Q248-S251 WeakPolarHBondContact O-CB 3.43Å; Q248-S251 PolarHBondContact O-N 2.67Å; Q248-S251 VanDerWaalsContact O-N 3.15Å; Q248-R252 PolarHBondContact O-N 3.48Å
249A94.7Very high89.2Confident4 Ų433.1 Ų33.13%0.03318%0.18CC..Hα-helixtrans-64.3-42.2179.300000112.5V137 Y140 V141 D245 L246 R252 S253V137-A249 HydrophobicContact CG1-CB 3.58Å; Y140-A249 HydrophobicContact CD2-CB 4.37Å; V141-A249 HydrophobicContact CG2-CB 3.35Å; D245-A249 VanDerWaalsContact O-CB 3.23Å; D245-A249 WeakPolarHBondContact O-CB 3.42Å; D245-A249 PolarHBondContact O-N 3Å; L246-A249 PolarHBondContact O-N 3.34Å; A249-R252 PolarHBondContact O-N 3.21Å; A249-S253 PolarHBondContact O-N 3.31Å
250F96.1Very high89.9Confident9 Ų936.4 Ų36.44%0.03920%0.2CC..Hα-helixtrans-67.1-37171.1-82.2-73.9000111.9L21 C24 I25 A28 I131 L132 V137 L246 R252 S253 C254L21-F250 HydrophobicContact CD1-CD2 3.98Å; L21-F250 HydrophobicContact CD1-CE2 4.32Å; C24-F250 HydrophobicContact CB-CB 3.73Å; I25-F250 HydrophobicContact CB-CD1 4.42Å; I25-F250 HydrophobicContact CD1-CD2 4.47Å; I25-F250 HydrophobicContact CD1-CE2 4.12Å; I25-F250 HydrophobicContact CD1-CZ 4.38Å; I25-F250 HydrophobicContact CG1-CD1 3.94Å; I25-F250 HydrophobicContact CG1-CD2 3.63Å; I25-F250 HydrophobicContact CG1-CE1 3.92Å; I25-F250 HydrophobicContact CG1-CE2 3.61Å; I25-F250 HydrophobicContact CG1-CG 3.82Å; I25-F250 HydrophobicContact CG1-CZ 3.77Å; A28-F250 HydrophobicContact CB-CB 4.49Å; A28-F250 HydrophobicContact CB-CD1 4.01Å; I131-F250 HydrophobicContact CG2-CE1 4.46Å; I131-F250 HydrophobicContact CG2-CZ 4.15Å; L132-F250 HydrophobicContact CD2-CE2 3.73Å; L132-F250 HydrophobicContact CD2-CZ 3.9Å; V137-F250 HydrophobicContact CB-CD1 4.47Å; V137-F250 HydrophobicContact CB-CE1 4.17Å; V137-F250 HydrophobicContact CB-CZ 4.23Å; V137-F250 HydrophobicContact CG1-CD1 4.33Å; V137-F250 HydrophobicContact CG1-CD2 4.05Å; V137-F250 HydrophobicContact CG1-CE1 4.28Å; V137-F250 HydrophobicContact CG1-CE2 3.99Å; V137-F250 HydrophobicContact CG1-CG 4.2Å; V137-F250 HydrophobicContact CG1-CZ 4.1Å; V137-F250 HydrophobicContact CG2-CD1 3.72Å; V137-F250 HydrophobicContact CG2-CE1 3.69Å; V137-F250 HydrophobicContact CG2-CG 4.3Å; V137-F250 HydrophobicContact CG2-CZ 4.25Å; L246-F250 VanDerWaalsContact O-CD2 3.3Å; L246-F250 WeakPolarHBondContact O-CD2 2.92Å; L246-F250 PolarHBondContact O-N 3.23Å; F250-R252 VanDerWaalsContact C-N 3.33Å; F250-R252 PolarHBondContact O-N 2.83Å; F250-S253 WeakPolarHBondContact O-CB 3.3Å; F250-S253 PolarHBondContact O-N 3Å; F250-S253 VanDerWaalsContact O-N 3.15Å; F250-C254 PolarHBondContact O-N 3.42Å
251S95.5Very high90.7Very high3 Ų337.2 Ų37.22%0.02120%0.202CC..Hα-helixtrans-61.4-42.5175.1-65.60000112.6C24 A247 Q248 S253 C254 A255 Y261C24-S251 PolarHBondContact SG-OG 2.93Å; A247-S251 WeakPolarHBondContact O-CB 3.37Å; A247-S251 PolarHBondContact O-N 2.83Å; A247-S251 PolarHBondContact O-OG 2.85Å; Q248-S251 WeakPolarHBondContact O-CB 3.43Å; Q248-S251 PolarHBondContact O-N 2.67Å; Q248-S251 VanDerWaalsContact O-N 3.15Å; S251-S253 VanDerWaalsContact C-N 3.35Å; S251-S253 PolarHBondContact O-N 3.39Å; S251-C254 WeakPolarHBondContact O-CB 3.49Å; S251-C254 PolarHBondContact O-N 2.99Å; S251-A255 PolarHBondContact O-N 2.82Å; S251-Y261 VanDerWaalsContact CA-OH 3.29Å; S251-Y261 WeakPolarHBondContact CA-OH 3.4Å; S251-Y261 WeakPolarHBondContact O-CE2 3.33Å; S251-Y261 WeakPolarHBondContact OG-CE1 3.2Å
252R96.4Very high91.7Very high153 Ų15334.8 Ų34.858%0.57720%0.196SC*.Hα-helixtrans-59.3-46.1171.9-178.3-177.318098.92.2111.4Y140 Q248 A249 F250 C254 A255 V256Y140-R252 HydrophobicContact CE2-CG 4.34Å; Q248-R252 PolarHBondContact O-N 3.48Å; A249-R252 PolarHBondContact O-N 3.21Å; F250-R252 VanDerWaalsContact C-N 3.33Å; F250-R252 PolarHBondContact O-N 2.83Å; R252-C254 VanDerWaalsContact C-N 3.33Å; R252-C254 PolarHBondContact O-N 3.42Å; R252-A255 PolarHBondContact O-N 3.34Å; R252-V256 WeakPolarHBondContact O-CG2 3.43Å; R252-V256 PolarHBondContact O-N 2.77Å
253S95.5Very high92.7Very high6 Ų636.5 Ų36.54%0.04221%0.205CC..Hα-helixtrans-57.1-46.6177.2-173.50000111.5A249 F250 S251 A255 V256 F257A249-S253 PolarHBondContact O-N 3.31Å; F250-S253 WeakPolarHBondContact O-CB 3.3Å; F250-S253 PolarHBondContact O-N 3Å; F250-S253 VanDerWaalsContact O-N 3.15Å; S251-S253 VanDerWaalsContact C-N 3.35Å; S251-S253 PolarHBondContact O-N 3.39Å; S253-A255 PolarHBondContact O-N 2.96Å; S253-V256 PolarHBondContact O-N 3.42Å; S253-F257 WeakPolarHBondContact O-CD2 3.36Å; S253-F257 PolarHBondContact O-N 3.32Å
254C97Very high93.7Very high0 Ų044.3 Ų44.30%023%0.234CC..Hα-helixtrans-58-46.5174.3-176.70000112.4A27 A28 A31 F250 S251 R252 V256 F257 G258 G259 Y261A27-C254 HydrophobicContact CB-CB 4.5Å; A27-C254 PolarHBondContact O-SG 3.1Å; A28-C254 HydrophobicContact CB-CB 4.13Å; A31-C254 HydrophobicContact CB-CB 4.5Å; F250-C254 PolarHBondContact O-N 3.42Å; S251-C254 WeakPolarHBondContact O-CB 3.49Å; S251-C254 PolarHBondContact O-N 2.99Å; R252-C254 VanDerWaalsContact C-N 3.33Å; R252-C254 PolarHBondContact O-N 3.42Å; C254-V256 VanDerWaalsContact C-N 3.33Å; C254-V256 PolarHBondContact O-N 2.72Å; C254-F257 CarbonylContact O-C 3.58Å; C254-F257 PolarHBondContact O-N 3.18Å; C254-F257 VanDerWaalsContact O-N 3.1Å; C254-G258 PolarHBondContact O-N 2.87Å; C254-G259 PolarHBondContact O-N 2.93Å; C254-Y261 HydrophobicContact CB-CE2 3.66Å; C254-Y261 WeakPolarHBondContact CB-OH 3.04Å; C254-Y261 PolarHBondContact SG-OH 3Å
255A96.1Very high94.3Very high50 Ų5044.3 Ų44.341%0.41323%0.234SC..Hα-helixtrans-63.5-36.7-179.800000112.8S251 R252 S253 F257 G258 Y261S251-A255 PolarHBondContact O-N 2.82Å; R252-A255 PolarHBondContact O-N 3.34Å; S253-A255 PolarHBondContact O-N 2.96Å; A255-F257 PolarHBondContact O-N 3.25Å; A255-G258 PolarHBondContact O-N 2.85Å; A255-Y261 HydrophobicContact CB-CD2 4.25Å; A255-Y261 HydrophobicContact CB-CE2 4.36Å
256V95.6Very high94.8Very high89 Ų8946.3 Ų46.354%0.53925%0.249SC..Hα-helixtrans-60.1-31.6175.1168.30000112R252 S253 C254 G258R252-V256 WeakPolarHBondContact O-CG2 3.43Å; R252-V256 PolarHBondContact O-N 2.77Å; S253-V256 PolarHBondContact O-N 3.42Å; C254-V256 VanDerWaalsContact C-N 3.33Å; C254-V256 PolarHBondContact O-N 2.72Å; V256-G258 VanDerWaalsContact C-N 3.33Å
257F96.2Very high95Very high81 Ų8147.3 Ų47.336%0.35526%0.255SS..THydrogen-bonded Turntrans-93.216.1176-64.6-70.1000113.7A31 R32 S253 C254 A255A31-F257 HydrophobicContact CB-CB 3.81Å; R32-F257 HydrophobicContact CB-CD2 4.39Å; R32-F257 VanDerWaalsContact CZ-CZ 3.42Å; S253-F257 WeakPolarHBondContact O-CD2 3.36Å; S253-F257 PolarHBondContact O-N 3.32Å; C254-F257 CarbonylContact O-C 3.58Å; C254-F257 PolarHBondContact O-N 3.18Å; C254-F257 VanDerWaalsContact O-N 3.1Å; A255-F257 PolarHBondContact O-N 3.25Å
258G95.1Very high95.1Very high58 Ų5853 Ų5360%0.59828%0.282SS*.THydrogen-bonded Turntrans91.69.8173.500000115.2C254 A255 V256C254-G258 PolarHBondContact O-N 2.87Å; A255-G258 PolarHBondContact O-N 2.85Å; V256-G258 VanDerWaalsContact C-N 3.33Å
259G96.6Very high95.1Very high8 Ų850.6 Ų50.68%0.08228%0.277CS..  trans-65134.5170.700000112C254C254-G259 PolarHBondContact O-N 2.93Å
260V95.9Very high95.1Very high68 Ų6853.3 Ų53.341%0.41229%0.287SS..EExtended strand (participates in β ladder)trans-94.8130177.2179.40000109.3V37 L38 H39V37-V260 PolarHBondContact O-N 2.83Å; L38-V260 HydrophobicContact CD1-CB 3.93Å; L38-V260 HydrophobicContact CD1-CG1 3.78Å; H39-V260 PolarHBondContact N-O 3.21Å
261Y94.4Very high95Very high42 Ų4255.8 Ų55.817%0.16530%0.3CS..EExtended strand (participates in β ladder)trans-113.5137.3179.6-82.2-97.6000111.5T19 H39 Y46 S251 C254 A255T19-Y261 HydrophobicContact CG2-CE1 4.47Å; H39-Y261 HydrophobicContact CB-CD1 3.77Å; H39-Y261 HydrophobicContact CB-CD2 4.44Å; H39-Y261 HydrophobicContact CB-CE1 3.58Å; H39-Y261 HydrophobicContact CB-CE2 4.24Å; H39-Y261 HydrophobicContact CB-CG 4.2Å; H39-Y261 AromaticContact CE1-CE1 3.86Å; H39-Y261 AromaticContact CG-CD1 3.93Å; H39-Y261 AromaticContact CG-CE1 3.37Å; H39-Y261 AromaticContact CG-CZ 3.78Å; H39-Y261 AromaticContact ND1-CE1 3.16Å; H39-Y261 WeakPolarHBondContact ND1-CE1 3.38Å; H39-Y261 AromaticContact ND1-CZ 3.3Å; H39-Y261 VanDerWaalsContact ND1-CZ 3.3Å; H39-Y261 PolarHBondContact ND1-OH 3.48Å; H39-Y261 CarbonylContact O-C 3.54Å; H39-Y261 WeakPolarHBondContact O-CA 3.34Å; Y46-Y261 AromaticContact CE1-CD1 3.81Å; Y46-Y261 HydrophobicContact CE1-CD1 3.81Å; Y46-Y261 HydrophobicContact CE1-CE1 4.18Å; S251-Y261 VanDerWaalsContact CA-OH 3.29Å; S251-Y261 WeakPolarHBondContact CA-OH 3.4Å; S251-Y261 WeakPolarHBondContact O-CE2 3.33Å; S251-Y261 WeakPolarHBondContact OG-CE1 3.2Å; C254-Y261 HydrophobicContact CB-CE2 3.66Å; C254-Y261 WeakPolarHBondContact CB-OH 3.04Å; C254-Y261 PolarHBondContact SG-OH 3Å; A255-Y261 HydrophobicContact CB-CD2 4.25Å; A255-Y261 HydrophobicContact CB-CE2 4.36Å
262C94.8Very high94.8Very high27 Ų2759.9 Ų59.918%0.18233%0.325CS..EExtended strand (participates in β ladder)trans-138.5109.6173.5-156.50000111.1L8 H39 L40 D41 C265L8-C262 HydrophobicContact CD2-CB 4.42Å; H39-C262 PolarHBondContact O-N 3.14Å; L40-C262 CarbonylContact C-O 3.6Å; L40-C262 WeakPolarHBondContact CA-O 3.34Å; L40-C262 HydrophobicContact CD2-CB 3.5Å; D41-C262 PolarHBondContact N-O 3.4Å; C262-C265 HydrophobicContact CB-CB 3.88Å; C262-C265 VanDerWaalsContact SG-CB 3.6Å
263L95.3Very high94.4Very high35 Ų3556.3 Ų56.318%0.18332%0.317CS..SBendtrans-85.1162.6167.9-61.6-178.8000110.1T19 D41 Y46 C265T19-L263 HydrophobicContact CG2-CD2 4.38Å; D41-L263 HydrophobicContact CB-CD2 3.62Å; D41-L263 CarbonylContact O-C 3.57Å; Y46-L263 HydrophobicContact CD1-CD2 4.36Å; Y46-L263 HydrophobicContact CD2-CD1 4.07Å; Y46-L263 HydrophobicContact CE1-CD2 4.28Å; Y46-L263 HydrophobicContact CE2-CD1 3.74Å; L263-C265 PolarHBondContact O-N 3.31Å
264R94.4Very high94.1Very high165 Ų16565.3 Ų65.362%0.62336%0.359SS*.SBendtrans53.835-173.6-58.5178-69.4-82.6-6.6112.2D41 N43 E44 P266D41-R264 PolarHBondContact O-N 2.83Å; N43-R264 PolarHBondContact O-N 2.84Å; E44-R264 HydrophobicContact CB-CG 3.67Å; R264-P266 WeakPolarHBondContact O-CD 3.46Å
265C94.3Very high93.7Very high0 Ų074.9 Ų74.90%040%0.4CS..  trans-121.379.1-178.3-165.60000109.3L40 D41 C262 L263L40-C265 HydrophobicContact CD2-CB 4.29Å; D41-C265 PolarHBondContact O-N 3.2Å; C262-C265 HydrophobicContact CB-CB 3.88Å; C262-C265 VanDerWaalsContact SG-CB 3.6Å; L263-C265 PolarHBondContact O-N 3.31Å
266P93.4Very high93.4Very high77 Ų7775.5 Ų75.550%0.540%0.402SS..  trans-64.6142.3172.928.9-34.3000110.2K42 R264K42-P266 HydrophobicContact CB-CB 4.22Å; R264-P266 WeakPolarHBondContact O-CD 3.46Å
267V93.8Very high93Very high29 Ų2973.9 Ų73.918%0.17640%0.403CS..EExtended strand (participates in β ladder)trans-87.5127.3172.3175.10000109.1L17 L40 I282L17-V267 HydrophobicContact CD1-CB 4.42Å; L17-V267 HydrophobicContact CD1-CG1 4.48Å; L17-V267 HydrophobicContact CD1-CG2 4.03Å; L17-V267 HydrophobicContact CD2-CG2 3.5Å; L17-V267 VanDerWaalsContact CD2-CG2 3.5Å; L17-V267 HydrophobicContact CG-CG2 4.38Å; L40-V267 HydrophobicContact CD1-CG2 3.91Å; V267-I282 HydrophobicContact CG1-CB 4.11Å; V267-I282 HydrophobicContact CG1-CG2 4.39Å; V267-I282 HydrophobicContact CG2-CD1 4.04Å
268E93.6Very high92.8Very high120 Ų12075.2 Ų75.256%0.56141%0.414SS*.EExtended strand (participates in β ladder)trans-83.1-40-176.5-65.3163.7-143.800111.6V283 Q285 G286E268-V283 HydrophobicContact CB-CB 4.3Å; E268-V283 HydrophobicContact CB-CG1 4.19Å; E268-V283 PolarHBondContact N-O 3.39Å; E268-V283 WeakPolarHBondContact OE2-CG1 3.38Å; E268-Q285 WeakPolarHBondContact OE1-CA 3.47Å; E268-Q285 PolarHBondContact OE1-N 3.27Å; E268-G286 PolarHBondContact OE1-N 3.35Å
269A93Very high92.6Very high39 Ų3974.3 Ų74.332%0.32240%0.397SS..EExtended strand (participates in β ladder)trans-155.1152-177.800000113.3L271 I282 V283A269-L271 HydrophobicContact CB-CD2 4.45Å; A269-I282 CarbonylContact O-C 3.56Å; A269-I282 WeakPolarHBondContact O-CA 3.35Å; A269-V283 HydrophobicContact CB-CB 4.24Å; A269-V283 HydrophobicContact CB-CG2 4.23Å; A269-V283 PolarHBondContact O-N 3.47Å
270W93.4Very high92.5Very high61 Ų6175.4 Ų75.423%0.23141%0.408CS..EExtended strand (participates in β ladder)trans-101.1128.7164.7-61.92.9000108.4L17 V279 L294 S296 I301L17-W270 HydrophobicContact CD1-CZ2 4.06Å; W270-V279 HydrophobicContact CB-CG1 4.25Å; W270-V279 HydrophobicContact CE3-CG2 4.1Å; W270-L294 HydrophobicContact CD2-CD2 3.63Å; W270-L294 HydrophobicContact CE3-CD2 3.87Å; W270-L294 HydrophobicContact CG-CD2 4.07Å; W270-L294 HydrophobicContact CH2-CD2 4.15Å; W270-L294 HydrophobicContact CZ2-CD2 3.97Å; W270-L294 HydrophobicContact CZ3-CD2 4.12Å; W270-S296 WeakPolarHBondContact CZ2-OG 3.19Å; W270-I301 HydrophobicContact CH2-CB 4.42Å; W270-I301 HydrophobicContact CH2-CG1 3.99Å
271L94.1Very high92.5Very high61 Ų6172.2 Ų72.232%0.31939%0.389SS..EExtended strand (participates in β ladder)trans-100.6118.4-179.6-55-176.7000109.1A269 V279 G280 A281 V283 R288A269-L271 HydrophobicContact CB-CD2 4.45Å; L271-V279 WeakPolarHBondContact O-CA 3.15Å; L271-G280 PolarHBondContact O-N 3.16Å; L271-A281 HydrophobicContact CB-CB 4.04Å; L271-A281 HydrophobicContact CD1-CB 3.99Å; L271-A281 HydrophobicContact CG-CB 4.37Å; L271-A281 PolarHBondContact N-O 2.8Å; L271-A281 PolarHBondContact O-N 3.31Å; L271-V283 HydrophobicContact CD1-CG2 3.9Å; L271-V283 HydrophobicContact CD2-CG2 4.07Å; L271-V283 HydrophobicContact CG-CG2 4.05Å; L271-R288 HydrophobicContact CD1-CG 4.01Å
272T91.8Very high92.6Very high89 Ų8970.2 Ų70.255%0.54638%0.381SS..EExtended strand (participates in β ladder)trans-101.5140.4178.353.20000110.2N278 V279T272-N278 CarbonylContact C-O 3.59Å; T272-N278 VanDerWaalsContact CA-O 3.26Å; T272-N278 WeakPolarHBondContact CA-O 3.4Å; T272-V279 HydrophobicContact CG2-CG2 3.84Å
273D89Confident92.7Very high77 Ų7770.1 Ų70.141%0.41238%0.38SS..PPolyproline II helixtrans-75.9125.8170.3168.368.9000109.6K275 S276 G277 N278D273-K275 PolarHBondContact O-N 3.45Å; D273-K275 PolarHBondContact OD2-N 2.97Å; D273-S276 WeakPolarHBondContact CB-OG 3.48Å; D273-S276 PolarHBondContact O-N 3.46Å; D273-S276 VanDerWaalsContact OD2-CB 3.29Å; D273-S276 WeakPolarHBondContact OD2-CB 3.42Å; D273-S276 PolarHBondContact OD2-N 3.26Å; D273-S276 PolarHBondContact OD2-OG 3.47Å; D273-G277 WeakPolarHBondContact O-CA 3.33Å; D273-G277 PolarHBondContact O-N 2.99Å; D273-N278 PolarHBondContact N-O 3.24Å
274E87.6Confident92.7Very high196 Ų19668.5 Ų68.592%0.91637%0.371SS*.THydrogen-bonded Turntrans-62.1-27.9-174-65.6-175.3167.200113.2
275K89.5Confident92.6Very high200 Ų20066.3 Ų66.387%0.8737%0.368SS*.THydrogen-bonded Turntrans-83-43.1-176.6-65.1-178.6-178.7176.90112.4D273D273-K275 PolarHBondContact O-N 3.45Å; D273-K275 PolarHBondContact OD2-N 2.97Å
276S89.8Confident92.5Very high63 Ų6369.3 Ų69.344%0.44140%0.399SS..THydrogen-bonded Turntrans-93.4-22.5-176.661.60000113.6D273 N278D273-S276 WeakPolarHBondContact CB-OG 3.48Å; D273-S276 PolarHBondContact O-N 3.46Å; D273-S276 VanDerWaalsContact OD2-CB 3.29Å; D273-S276 WeakPolarHBondContact OD2-CB 3.42Å; D273-S276 PolarHBondContact OD2-N 3.26Å; D273-S276 PolarHBondContact OD2-OG 3.47Å; S276-N278 PolarHBondContact O-N 2.75Å; S276-N278 PolarHBondContact OG-N 3.1Å
277G87.2Confident92.5Very high55 Ų5568.5 Ų68.557%0.56739%0.387SS*.  trans70.52.6-170.300000113.9D273D273-G277 WeakPolarHBondContact O-CA 3.33Å; D273-G277 PolarHBondContact O-N 2.99Å
278N90.8Very high92.6Very high109 Ų10974.3 Ų74.358%0.58341%0.406SS*.  trans-81.6147.8-178.9-67.3-28000110.8T272 D273 S276 G280T272-N278 CarbonylContact C-O 3.59Å; T272-N278 VanDerWaalsContact CA-O 3.26Å; T272-N278 WeakPolarHBondContact CA-O 3.4Å; D273-N278 PolarHBondContact N-O 3.24Å; S276-N278 PolarHBondContact O-N 2.75Å; S276-N278 PolarHBondContact OG-N 3.1Å; N278-G280 PolarHBondContact O-N 3.49Å
279V92.3Very high92.8Very high39 Ų3968.6 Ų68.624%0.23638%0.379CS..EExtended strand (participates in β ladder)trans-74.3122.4169.1-176.60000108.6W270 L271 T272 L294W270-V279 HydrophobicContact CB-CG1 4.25Å; W270-V279 HydrophobicContact CE3-CG2 4.1Å; L271-V279 WeakPolarHBondContact O-CA 3.15Å; T272-V279 HydrophobicContact CG2-CG2 3.84Å; V279-L294 HydrophobicContact CB-CD2 4.34Å; V279-L294 HydrophobicContact CG1-CB 4.38Å; V279-L294 HydrophobicContact CG1-CD2 3.74Å; V279-L294 HydrophobicContact CG2-CD2 4.44Å
280G94.1Very high93Very high31 Ų3169.7 Ų69.732%0.3238%0.38SS..EExtended strand (participates in β ladder)trans-116.4-8.7179.600000114.2L271 N278 C291L271-G280 PolarHBondContact O-N 3.16Å; N278-G280 PolarHBondContact O-N 3.49Å; G280-C291 CarbonylContact C-O 3.56Å; G280-C291 PolarHBondContact O-N 3.4Å; G280-C291 VanDerWaalsContact O-O 3.05Å
281A96.5Very high93.2Very high1 Ų167.2 Ų67.21%0.00837%0.372CS..EExtended strand (participates in β ladder)trans-160.4164.3177.100000111.6L271 R288 I289 D290L271-A281 HydrophobicContact CB-CB 4.04Å; L271-A281 HydrophobicContact CD1-CB 3.99Å; L271-A281 HydrophobicContact CG-CB 4.37Å; L271-A281 PolarHBondContact N-O 2.8Å; L271-A281 PolarHBondContact O-N 3.31Å; A281-R288 HydrophobicContact CB-CG 4.13Å; A281-I289 CarbonylContact C-O 2.79Å; A281-I289 WeakPolarHBondContact CA-O 3.39Å; A281-I289 VanDerWaalsContact CB-O 3.27Å; A281-I289 WeakPolarHBondContact CB-O 3.31Å; A281-D290 WeakPolarHBondContact CB-OD1 3.4Å
282I96.3Very high93.3Very high0 Ų071.1 Ų71.10%039%0.386CS..EExtended strand (participates in β ladder)trans-121.5163167.360.4153.9000110.5V15 L17 L40 V267 A269 A284 R288 I289 L294V15-I282 HydrophobicContact CG1-CD1 3.65Å; V15-I282 HydrophobicContact CG1-CG1 4.22Å; V15-I282 HydrophobicContact CG1-CG2 4.42Å; V15-I282 HydrophobicContact CG2-CD1 4.4Å; V15-I282 HydrophobicContact CG2-CG1 4.37Å; L17-I282 HydrophobicContact CD2-CD1 4.43Å; L40-I282 HydrophobicContact CD1-CD1 3.47Å; L40-I282 VanDerWaalsContact CD1-CD1 3.47Å; V267-I282 HydrophobicContact CG1-CB 4.11Å; V267-I282 HydrophobicContact CG1-CG2 4.39Å; V267-I282 HydrophobicContact CG2-CD1 4.04Å; A269-I282 CarbonylContact O-C 3.56Å; A269-I282 WeakPolarHBondContact O-CA 3.35Å; I282-A284 HydrophobicContact CD1-CB 4.4Å; I282-R288 WeakPolarHBondContact O-CA 3.28Å; I282-I289 HydrophobicContact CG1-CB 4.12Å; I282-I289 PolarHBondContact N-O 2.7Å; I282-I289 PolarHBondContact O-N 3.43Å; I282-L294 HydrophobicContact CG2-CD1 3.96Å; I282-L294 HydrophobicContact CG2-CD2 4.3Å
283V96.4Very high93.6Very high26 Ų2673.9 Ų73.916%0.15839%0.388CS..EExtended strand (participates in β ladder)trans-112.9123.2167.6-176.10000108.9E268 A269 L271 K287E268-V283 HydrophobicContact CB-CB 4.3Å; E268-V283 HydrophobicContact CB-CG1 4.19Å; E268-V283 PolarHBondContact N-O 3.39Å; E268-V283 WeakPolarHBondContact OE2-CG1 3.38Å; A269-V283 HydrophobicContact CB-CB 4.24Å; A269-V283 HydrophobicContact CB-CG2 4.23Å; A269-V283 PolarHBondContact O-N 3.47Å; L271-V283 HydrophobicContact CD1-CG2 3.9Å; L271-V283 HydrophobicContact CD2-CG2 4.07Å; L271-V283 HydrophobicContact CG-CG2 4.05Å; V283-K287 WeakPolarHBondContact CA-O 3.36Å
284A94.3Very high93.9Very high0 Ų072.2 Ų72.20%038%0.379CS..EExtended strand (participates in β ladder)trans-141.3135.7174.700000109.5L8 L40 I282 G286 K287 I289L8-A284 HydrophobicContact CD1-CB 4.32Å; L40-A284 HydrophobicContact CD1-CB 4.12Å; I282-A284 HydrophobicContact CD1-CB 4.4Å; A284-G286 PolarHBondContact O-N 3.21Å; A284-K287 PolarHBondContact N-O 2.87Å; A284-K287 WeakPolarHBondContact O-CB 3.43Å; A284-K287 PolarHBondContact O-N 3.41Å; A284-I289 HydrophobicContact CB-CD1 4.38Å
285Q92.6Very high94.3Very high120 Ų12064.6 Ų64.656%0.56135%0.345SS*.THydrogen-bonded Turntrans54.239.6-175-57.9-177.8-10.900112.6L8 E268 K287L8-Q285 HydrophobicContact CD1-CB 4.31Å; L8-Q285 HydrophobicContact CD1-CG 4.18Å; E268-Q285 WeakPolarHBondContact OE1-CA 3.47Å; E268-Q285 PolarHBondContact OE1-N 3.27Å; Q285-K287 PolarHBondContact O-N 2.87Å; Q285-K287 VanDerWaalsContact O-N 3.1Å
286G92.8Very high94.5Very high63 Ų6356.5 Ų56.565%0.64931%0.314SS*.THydrogen-bonded Turntrans65.56-175.700000115.1E268 A284E268-G286 PolarHBondContact OE1-N 3.35Å; A284-G286 PolarHBondContact O-N 3.21Å
287K93.9Very high94.5Very high59 Ų5954 Ų5426%0.25730%0.296SS..EExtended strand (participates in β ladder)trans-106.3132.9-179-180172.3176.81670110.9L8 D10 V283 A284 Q285 I289L8-K287 HydrophobicContact CB-CD 4.41Å; L8-K287 PolarHBondContact O-NZ 3.49Å; D10-K287 WeakPolarHBondContact OD1-CE 3.28Å; D10-K287 IonicContact OD1-NZ 2.99Å; D10-K287 PolarHBondContact OD1-NZ 2.63Å; V283-K287 WeakPolarHBondContact CA-O 3.36Å; A284-K287 PolarHBondContact N-O 2.87Å; A284-K287 WeakPolarHBondContact O-CB 3.43Å; A284-K287 PolarHBondContact O-N 3.41Å; Q285-K287 PolarHBondContact O-N 2.87Å; Q285-K287 VanDerWaalsContact O-N 3.1Å; K287-I289 HydrophobicContact CG-CG1 4.4Å
288R96.4Very high94.3Very high151 Ų15154.2 Ų54.257%0.5729%0.286SS*.EExtended strand (participates in β ladder)trans-74.4132.2167.8173.9177169.8170-1.1109.8L271 A281 I282 D290L271-R288 HydrophobicContact CD1-CG 4.01Å; A281-R288 HydrophobicContact CB-CG 4.13Å; I282-R288 WeakPolarHBondContact O-CA 3.28Å; R288-D290 IonicContact CZ-OD1 3.48Å; R288-D290 VanDerWaalsContact CZ-OD1 3.22Å; R288-D290 IonicContact NE-OD1 2.77Å; R288-D290 PolarHBondContact NE-OD1 2.84Å; R288-D290 IonicContact NE-OD2 3.63Å; R288-D290 IonicContact NH2-OD1 3.96Å; R288-D290 PolarHBondContact NH2-OD1 2.91Å; R288-D290 IonicContact NH2-OD2 3.15Å
289I97.4Very high93.9Very high0 Ų050.8 Ų50.80%027%0.267CS..EExtended strand (participates in β ladder)trans-127.7112.7177.2-52.6173.2000107.8L8 D10 V12 L38 A281 I282 A284 K287L8-I289 HydrophobicContact CB-CD1 3.98Å; L8-I289 HydrophobicContact CD1-CD1 3.94Å; L8-I289 HydrophobicContact CG-CD1 4.44Å; D10-I289 WeakPolarHBondContact O-CA 3.1Å; V12-I289 HydrophobicContact CG2-CG2 4.43Å; L38-I289 HydrophobicContact CD2-CD1 3.61Å; L38-I289 HydrophobicContact CD2-CG2 3.97Å; A281-I289 CarbonylContact C-O 2.79Å; A281-I289 WeakPolarHBondContact CA-O 3.39Å; A281-I289 VanDerWaalsContact CB-O 3.27Å; A281-I289 WeakPolarHBondContact CB-O 3.31Å; I282-I289 HydrophobicContact CG1-CB 4.12Å; I282-I289 PolarHBondContact N-O 2.7Å; I282-I289 PolarHBondContact O-N 3.43Å; A284-I289 HydrophobicContact CB-CD1 4.38Å; K287-I289 HydrophobicContact CG-CG1 4.4Å
290D97.7Very high93.8Very high62 Ų6250.3 Ų50.333%0.33226%0.261SS..EExtended strand (participates in β ladder)trans-76.2140.7-179.7-66.7-50.3000111.1D10 A11 V12 A281 R288D10-D290 PolarHBondContact O-N 3.33Å; A11-D290 CarbonylContact C-O 3.49Å; A11-D290 VanDerWaalsContact CA-O 3.28Å; A11-D290 WeakPolarHBondContact CA-O 3.48Å; A11-D290 HydrophobicContact CB-CB 4.11Å; V12-D290 PolarHBondContact N-O 3.27Å; A281-D290 WeakPolarHBondContact CB-OD1 3.4Å; R288-D290 IonicContact CZ-OD1 3.48Å; R288-D290 VanDerWaalsContact CZ-OD1 3.22Å; R288-D290 IonicContact NE-OD1 2.77Å; R288-D290 PolarHBondContact NE-OD1 2.84Å; R288-D290 IonicContact NE-OD2 3.63Å; R288-D290 IonicContact NH2-OD1 3.96Å; R288-D290 PolarHBondContact NH2-OD1 2.91Å; R288-D290 IonicContact NH2-OD2 3.15Å
291C97.2Very high93.4Very high10 Ų1050 Ų507%0.06825%0.252CS..EExtended strand (participates in β ladder)trans-145.6151.7178.6670000113.5V12 V15 G280V12-C291 HydrophobicContact CG2-CB 4.27Å; V12-C291 VanDerWaalsContact O-CA 3.3Å; V12-C291 WeakPolarHBondContact O-CA 3.47Å; V15-C291 HydrophobicContact CB-CB 4.25Å; V15-C291 HydrophobicContact CG2-CB 3.55Å; G280-C291 CarbonylContact C-O 3.56Å; G280-C291 PolarHBondContact O-N 3.4Å; G280-C291 VanDerWaalsContact O-O 3.05Å
292K96.2Very high92.6Very high143 Ų14352.9 Ų52.962%0.62227%0.27SS*.EExtended strand (participates in β ladder)trans-86-35.7175-61173.2-176.21590111.6D13D13-K292 WeakPolarHBondContact O-CB 3.29Å; D13-K292 PolarHBondContact O-N 3.06Å; D13-K292 VanDerWaalsContact O-N 3.1Å; D13-K292 WeakPolarHBondContact OD1-CE 3.23Å; D13-K292 IonicContact OD1-NZ 2.71Å; D13-K292 PolarHBondContact OD1-NZ 3.41Å
293Y97.2Very high91.5Very high147 Ų14757.5 Ų57.558%0.57629%0.288SS*.EExtended strand (participates in β ladder)trans-130.9135.7180-54.5-76.4000110.3D13 V14 V15D13-Y293 PolarHBondContact O-N 3.32Å; V14-Y293 WeakPolarHBondContact CA-O 3.21Å; V14-Y293 HydrophobicContact CG2-CD2 4.16Å; V15-Y293 PolarHBondContact N-O 3.3Å
294L96.3Very high90.6Very high42 Ų4264.8 Ų64.822%0.2232%0.317CS..EExtended strand (participates in β ladder)trans-114.2125.1170.3-179.765000109.2V15 L17 W270 V279 I282V15-L294 HydrophobicContact CB-CD1 3.82Å; V15-L294 HydrophobicContact CG1-CD1 3.57Å; L17-L294 HydrophobicContact CD1-CD1 3.94Å; L17-L294 HydrophobicContact CD2-CD1 4.44Å; L17-L294 HydrophobicContact CG-CD1 3.88Å; W270-L294 HydrophobicContact CD2-CD2 3.63Å; W270-L294 HydrophobicContact CE3-CD2 3.87Å; W270-L294 HydrophobicContact CG-CD2 4.07Å; W270-L294 HydrophobicContact CH2-CD2 4.15Å; W270-L294 HydrophobicContact CZ2-CD2 3.97Å; W270-L294 HydrophobicContact CZ3-CD2 4.12Å; V279-L294 HydrophobicContact CB-CD2 4.34Å; V279-L294 HydrophobicContact CG1-CB 4.38Å; V279-L294 HydrophobicContact CG1-CD2 3.74Å; V279-L294 HydrophobicContact CG2-CD2 4.44Å; I282-L294 HydrophobicContact CG2-CD1 3.96Å; I282-L294 HydrophobicContact CG2-CD2 4.3Å
295V95.9Very high89.8Confident36 Ų3668.7 Ų68.722%0.21834%0.338CS..EExtended strand (participates in β ladder)trans-112.7136.2171.2-179.60000107.3V14 V15 V16 L17 L26V14-V295 HydrophobicContact CG1-CG2 4.23Å; V15-V295 PolarHBondContact O-N 3.44Å; V16-V295 CarbonylContact C-O 3.52Å; V16-V295 WeakPolarHBondContact CA-O 3.42Å; V16-V295 HydrophobicContact CG1-CB 4.29Å; V16-V295 HydrophobicContact CG1-CG1 4.27Å; V16-V295 HydrophobicContact CG2-CB 4.24Å; L17-V295 PolarHBondContact N-O 3.35Å; L26-V295 HydrophobicContact CD2-CB 4.22Å; L26-V295 HydrophobicContact CD2-CG1 3.7Å; L26-V295 HydrophobicContact CD2-CG2 3.54Å
296S92.8Very high88.9Confident29 Ų2966.1 Ų66.120%0.20332%0.323CS..EExtended strand (participates in β ladder)trans-143.4131.8-174.91800000111.1W270 Y300W270-S296 WeakPolarHBondContact CZ2-OG 3.19Å; S296-Y300 WeakPolarHBondContact OG-CB 3.4Å
297S89.3Confident87.8Confident10 Ų1069 Ų697%0.0732%0.32CS..  trans-58.6150.4158.2167.60000109.7L17 E23 E299 Y300L17-S297 PolarHBondContact O-N 3.48Å; E23-S297 WeakPolarHBondContact OE1-CA 3.26Å; E23-S297 WeakPolarHBondContact OE1-CB 3.36Å; S297-E299 PolarHBondContact O-N 3.44Å; S297-E299 VanDerWaalsContact O-N 3.08Å; S297-E299 WeakPolarHBondContact OG-CG 3.47Å; S297-E299 PolarHBondContact OG-OE1 2.85Å; S297-Y300 PolarHBondContact O-N 2.96Å; S297-Y300 VanDerWaalsContact O-N 3.13Å
298V84.1Confident86.7Confident60 Ų6074.3 Ų74.336%0.36434%0.343SS..G310 helixtrans-55.6-28.9-177.767.10000112.8F49 Y300 I301 L311F49-V298 HydrophobicContact CE2-CG1 4.32Å; V298-Y300 VanDerWaalsContact C-N 3.28Å; V298-Y300 PolarHBondContact O-N 3.5Å; V298-I301 PolarHBondContact O-N 2.95Å; V298-L311 HydrophobicContact CG2-CD1 3.76Å
299E82.7Confident85.3Confident37 Ų3770.7 Ų70.717%0.17333%0.334CS..G310 helixtrans-71.1-18.6-177.171.9-172.5141.500114.3K42 F49 S297K42-E299 WeakPolarHBondContact CE-OE2 3.42Å; K42-E299 IonicContact NZ-OE2 3.58Å; K42-E299 PolarHBondContact NZ-OE2 3.07Å; F49-E299 HydrophobicContact CE2-CB 4.12Å; F49-E299 HydrophobicContact CZ-CB 4.26Å; S297-E299 PolarHBondContact O-N 3.44Å; S297-E299 VanDerWaalsContact O-N 3.08Å; S297-E299 WeakPolarHBondContact OG-CG 3.47Å; S297-E299 PolarHBondContact OG-OE1 2.85Å
300Y88.8Confident83.3Confident29 Ų2979.1 Ų79.111%0.11438%0.378CS..G310 helixtrans-94.4-7.7176.7-64.6-98.2000112.4L17 G18 D41 K42 S296 S297 V298 P302L17-Y300 HydrophobicContact CB-CD1 4.03Å; L17-Y300 HydrophobicContact CB-CD2 4.02Å; L17-Y300 HydrophobicContact CB-CE1 4.43Å; L17-Y300 HydrophobicContact CB-CE2 4.46Å; L17-Y300 HydrophobicContact CB-CG 3.82Å; L17-Y300 HydrophobicContact CD1-CD1 4.38Å; L17-Y300 HydrophobicContact CD1-CG 4.41Å; G18-Y300 VanDerWaalsContact CA-CE2 3.43Å; D41-Y300 WeakPolarHBondContact CA-OH 3.33Å; D41-Y300 PolarHBondContact OD1-OH 3.28Å; K42-Y300 HydrophobicContact CB-CE1 4.16Å; K42-Y300 HydrophobicContact CD-CE1 4.29Å; K42-Y300 HydrophobicContact CG-CE1 4.33Å; K42-Y300 WeakPolarHBondContact CG-OH 2.96Å; K42-Y300 PolarHBondContact N-OH 3.42Å; S296-Y300 WeakPolarHBondContact OG-CB 3.4Å; S297-Y300 PolarHBondContact O-N 2.96Å; S297-Y300 VanDerWaalsContact O-N 3.13Å; V298-Y300 VanDerWaalsContact C-N 3.28Å; V298-Y300 PolarHBondContact O-N 3.5Å; Y300-P302 WeakPolarHBondContact O-CD 3.5Å
301I85.7Confident81.3Confident25 Ų2580.3 Ų80.313%0.12838%0.384CS..SBendtrans-78126.8-177.2-53.1-173.7000109.6W270 V298 R303 L305 R306 L309W270-I301 HydrophobicContact CH2-CB 4.42Å; W270-I301 HydrophobicContact CH2-CG1 3.99Å; V298-I301 PolarHBondContact O-N 2.95Å; I301-R303 PolarHBondContact O-N 3.28Å; I301-L305 HydrophobicContact CG2-CB 3.82Å; I301-R306 HydrophobicContact CB-CG 3.73Å; I301-R306 HydrophobicContact CG2-CG 3.71Å; I301-R306 PolarHBondContact O-NE 2.86Å; I301-L309 HydrophobicContact CD1-CD1 3.7Å; I301-L309 HydrophobicContact CG2-CD1 4.41Å
302P80.8Confident79.2Confident61 Ų6182.8 Ų82.840%0.39640%0.401SS..  trans-54.5138.1173.8-26.734.4000112.1Y300 K304 L305 R306Y300-P302 WeakPolarHBondContact O-CD 3.5Å; P302-K304 PolarHBondContact O-N 2.79Å; P302-K304 VanDerWaalsContact O-N 3.11Å; P302-L305 HydrophobicContact CG-CD1 4.43Å; P302-L305 WeakPolarHBondContact O-CA 3.42Å; P302-L305 WeakPolarHBondContact O-CB 3.48Å; P302-L305 PolarHBondContact O-N 3.26Å; P302-R306 PolarHBondContact O-N 2.81Å; P302-R306 VanDerWaalsContact O-N 3.07Å
303R72.7Confident77.1Confident98 Ų9881.5 Ų81.537%0.3740%0.401SS..Hα-helixtrans-53.1-38.9-175-171.7178.2-179.7-1670.9113.6M83 I301 L305 R306 Q307M83-R303 PolarHBondContact O-NH1 2.83Å; M83-R303 PolarHBondContact O-NH2 3.45Å; I301-R303 PolarHBondContact O-N 3.28Å; R303-L305 PolarHBondContact O-N 2.85Å; R303-R306 PolarHBondContact O-N 3.48Å; R303-R306 VanDerWaalsContact O-N 3.17Å; R303-Q307 PolarHBondContact O-N 3.34Å
304K77.6Confident75Confident179 Ų17981.9 Ų81.978%0.77841%0.413SS*.Hα-helixtrans-59.5-29.3177.4-66-178.2179.7177.90113.2P302P302-K304 PolarHBondContact O-N 2.79Å; P302-K304 VanDerWaalsContact O-N 3.11Å
305L78.5Confident73.4Confident82 Ų8284.4 Ų84.443%0.42942%0.423SS..Hα-helixtrans-88.8-35.6176.4-63.2179.9000111.2I301 P302 R303 Q307 K308 L309I301-L305 HydrophobicContact CG2-CB 3.82Å; P302-L305 HydrophobicContact CG-CD1 4.43Å; P302-L305 WeakPolarHBondContact O-CA 3.42Å; P302-L305 WeakPolarHBondContact O-CB 3.48Å; P302-L305 PolarHBondContact O-N 3.26Å; R303-L305 PolarHBondContact O-N 2.85Å; L305-Q307 VanDerWaalsContact C-N 3.31Å; L305-Q307 PolarHBondContact O-N 3.09Å; L305-K308 PolarHBondContact O-N 2.82Å; L305-L309 PolarHBondContact O-N 2.76Å
306R74Confident71.8Confident65 Ų6586.9 Ų86.925%0.24544%0.442CS..Hα-helixtrans-55.4-44176.5-75.9-168.7-94.5169.4-6.7112.8I301 P302 R303 K308 L309I301-R306 HydrophobicContact CB-CG 3.73Å; I301-R306 HydrophobicContact CG2-CG 3.71Å; I301-R306 PolarHBondContact O-NE 2.86Å; P302-R306 PolarHBondContact O-N 2.81Å; P302-R306 VanDerWaalsContact O-N 3.07Å; R303-R306 PolarHBondContact O-N 3.48Å; R303-R306 VanDerWaalsContact O-N 3.17Å; R306-K308 PolarHBondContact O-N 3.16Å; R306-K308 VanDerWaalsContact O-N 3.07Å; R306-L309 WeakPolarHBondContact O-CB 3.31Å; R306-L309 PolarHBondContact O-N 3.04Å
307Q68.7Low70.5Confident125 Ų12587.8 Ų87.858%0.58444%0.443SS*.THydrogen-bonded Turntrans-60.2-20178.1-70.5174.7-15.600114.4R303 L305R303-Q307 PolarHBondContact O-N 3.34Å; L305-Q307 VanDerWaalsContact C-N 3.31Å; L305-Q307 PolarHBondContact O-N 3.09Å
308K70.1Confident69.6Low169 Ų16989 Ų8974%0.73545%0.451SS*.THydrogen-bonded Turntrans-92.2-17.5176.8-65.6-175177.9-177.70112.8L305 R306L305-K308 PolarHBondContact O-N 2.82Å; R306-K308 PolarHBondContact O-N 3.16Å; R306-K308 VanDerWaalsContact O-N 3.07Å
309L67.1Low69.1Low76 Ų7689.2 Ų89.240%0.39845%0.445SS..SBendtrans-72.2131.4171.6-61.3172.4000106.3I301 L305 R306 L311I301-L309 HydrophobicContact CD1-CD1 3.7Å; I301-L309 HydrophobicContact CG2-CD1 4.41Å; L305-L309 PolarHBondContact O-N 2.76Å; R306-L309 WeakPolarHBondContact O-CB 3.31Å; R306-L309 PolarHBondContact O-N 3.04Å; L309-L311 HydrophobicContact CB-CD1 4.31Å; L309-L311 HydrophobicContact CB-CG 4.06Å; L309-L311 PolarHBondContact O-N 3Å
310I55.2Low68.6Low177 Ų17787.8 Ų87.891%0.90844%0.439SS*.  trans-72.560.1172.7-50170.4000107.8
311L55.7Low67.9Low87 Ų8789 Ų8946%0.45545%0.447SS..  trans-85.1114.6157.7-60.7175.5000102.6V298 L309 D313V298-L311 HydrophobicContact CG2-CD1 3.76Å; L309-L311 HydrophobicContact CB-CD1 4.31Å; L309-L311 HydrophobicContact CB-CG 4.06Å; L309-L311 PolarHBondContact O-N 3Å; L311-D313 VanDerWaalsContact C-N 3.32Å; L311-D313 PolarHBondContact O-N 2.74Å
312S54.1Low67.3Low62 Ų6289 Ų8943%0.43445%0.448SS..  trans-56.6102.9170.154.20000106.8K115 D314K115-S312 PolarHBondContact NZ-OG 3.47Å; S312-D314 PolarHBondContact O-N 3.44Å
313D52.5Low66.9Low115 Ų11589.1 Ų89.162%0.61544%0.444SS*.THydrogen-bonded Turntrans-62.8-0.1-168.7-85.4-31.1000114.2L311L311-D313 VanDerWaalsContact C-N 3.32Å; L311-D313 PolarHBondContact O-N 2.74Å
314D53.2Low66.8Low155 Ų15585.9 Ų85.983%0.82944%0.436SS*.THydrogen-bonded Turntrans-117.97.5-168.5-68.5-35000115.8S312S312-D314 PolarHBondContact O-N 3.44Å
315E61Low66.4Low95 Ų9584.5 Ų84.544%0.44444%0.437SS..  trans-10490.5180-79.1-172.8-133.500112.1K115 P372K115-E315 WeakPolarHBondContact CE-OE2 3.26Å; K115-E315 IonicContact NZ-OE1 2.75Å; K115-E315 PolarHBondContact NZ-OE1 3.4Å; K115-E315 IonicContact NZ-OE2 3.87Å; K115-E315 PolarHBondContact NZ-OE2 3.44Å; E315-P372 HydrophobicContact CB-CB 3.64Å; E315-P372 HydrophobicContact CB-CG 3.78Å; E315-P372 HydrophobicContact CG-CB 3.74Å; E315-P372 HydrophobicContact CG-CG 4.2Å
316S62.5Low66Low88 Ų8883.9 Ų83.962%0.61544%0.44SS*.  trans-91.3145.4170.858.90000111.6P372S316-P372 WeakPolarHBondContact O-CA 3.27Å; S316-P372 WeakPolarHBondContact O-CB 3.3Å
317F66.8Low65.9Low48 Ų4881.5 Ų81.521%0.21143%0.433CS..  trans-104.5142.4174.1-62.3-100000109.3I113 K115 T370 P372I113-F317 WeakPolarHBondContact O-CE2 3.47Å; K115-F317 HydrophobicContact CB-CZ 4.16Å; K115-F317 HydrophobicContact CG-CE2 4.17Å; K115-F317 HydrophobicContact CG-CZ 3.69Å; F317-T370 WeakPolarHBondContact CD1-O 3.45Å; F317-P372 HydrophobicContact CD1-CG 3.84Å; F317-P372 HydrophobicContact CD2-CG 4.05Å; F317-P372 HydrophobicContact CE1-CG 3.54Å; F317-P372 HydrophobicContact CE2-CG 3.73Å; F317-P372 HydrophobicContact CG-CG 4.07Å; F317-P372 HydrophobicContact CZ-CG 3.43Å; F317-P372 VanDerWaalsContact CZ-CG 3.43Å
318C70.4Confident66Low37 Ų3777.3 Ų77.325%0.2541%0.414CS..EExtended strand (participates in β ladder)trans-99.1137.9168.5-50.30000109.7T369 T370 W376C318-T369 WeakPolarHBondContact O-CA 3.47Å; C318-T370 WeakPolarHBondContact CB-OG1 3.3Å; C318-T370 PolarHBondContact O-N 3.38Å; C318-T370 PolarHBondContact O-OG1 2.58Å; C318-W376 HydrophobicContact CB-CB 4.33Å; C318-W376 HydrophobicContact CB-CD2 3.33Å; C318-W376 HydrophobicContact CB-CE3 3.2Å; C318-W376 HydrophobicContact CB-CG 3.88Å; C318-W376 HydrophobicContact CB-CH2 3.99Å; C318-W376 HydrophobicContact CB-CZ2 4.11Å; C318-W376 HydrophobicContact CB-CZ3 3.57Å
319R72.9Confident66.2Low64 Ų6471.3 Ų71.324%0.24239%0.39CS..EExtended strand (participates in β ladder)trans-136.6136.9176.9179.9173.1-69.5126.89.6110F110 I111 C112 V368 T369 W376F110-R319 VanDerWaalsContact C-NH1 3.3Å; F110-R319 WeakPolarHBondContact O-CD 3.35Å; F110-R319 PolarHBondContact O-NE 2.81Å; F110-R319 PolarHBondContact O-NH1 3.21Å; I111-R319 VanDerWaalsContact C-NH1 3.26Å; C112-R319 VanDerWaalsContact O-CZ 3.28Å; C112-R319 PolarHBondContact O-NH1 3.35Å; C112-R319 PolarHBondContact O-NH2 2.98Å; R319-V368 VanDerWaalsContact CA-O 3.26Å; R319-V368 WeakPolarHBondContact CA-O 3.25Å; R319-V368 VanDerWaalsContact CG-O 3.31Å; R319-V368 WeakPolarHBondContact CG-O 3.35Å; R319-T369 PolarHBondContact NE-OG1 3.09Å; R319-T369 VanDerWaalsContact NE-OG1 3.1Å; R319-W376 VanDerWaalsContact C-CH2 3.45Å
320A73.4Confident66.5Low6 Ų673.1 Ų73.15%0.0541%0.406CS..EExtended strand (participates in β ladder)trans-123.2143.2171.100000108.9V368 W376 M378 I381A320-V368 HydrophobicContact CB-CB 4.26Å; A320-V368 PolarHBondContact N-O 3.36Å; A320-V368 PolarHBondContact O-N 3.29Å; A320-W376 HydrophobicContact CB-CH2 3.49Å; A320-W376 VanDerWaalsContact CB-CH2 3.49Å; A320-W376 HydrophobicContact CB-CZ2 3.85Å; A320-M378 HydrophobicContact CB-CE 4.05Å; A320-M378 HydrophobicContact CB-SD 3.85Å; A320-I381 HydrophobicContact CB-CD1 4.46Å
321I73.7Confident67.3Low55 Ų5568.2 Ų68.228%0.28238%0.382SS..EExtended strand (participates in β ladder)trans-120.7112.7173.4-57.9173.5000105.7M58 I107M58-I321 HydrophobicContact CE-CD1 3.88Å; I107-I321 HydrophobicContact CG2-CG2 3.8Å
322L72.7Confident67.6Low25 Ų2570.8 Ų70.813%0.13140%0.401CS..EExtended strand (participates in β ladder)trans-110131.2-176.2-54.6167.3000108T324 N365 V366 V368 M378 I381 I382 V385L322-T324 HydrophobicContact CB-CG2 4.49Å; L322-N365 CarbonylContact O-C 3.53Å; L322-N365 VanDerWaalsContact O-CA 3.32Å; L322-N365 WeakPolarHBondContact O-CA 3.08Å; L322-V366 HydrophobicContact CB-CB 4.11Å; L322-V366 HydrophobicContact CB-CG1 4.4Å; L322-V366 HydrophobicContact CD1-CG1 4Å; L322-V366 PolarHBondContact N-O 3.04Å; L322-V366 PolarHBondContact O-N 3Å; L322-V368 HydrophobicContact CD1-CG2 4.3Å; L322-M378 HydrophobicContact CD2-CE 4.43Å; L322-I381 HydrophobicContact CD1-CG2 3.62Å; L322-I382 HydrophobicContact CD2-CG1 4.19Å; L322-V385 HydrophobicContact CD1-CB 3.88Å; L322-V385 HydrophobicContact CD1-CG1 3.75Å; L322-V385 HydrophobicContact CD1-CG2 3.74Å
323L71.9Confident68.4Low63 Ų6375.3 Ų75.333%0.3341%0.413SS..EExtended strand (participates in β ladder)trans-94.8119.2173.9-58.2179.6000108.1F55 V99 I107 C363 N365F55-L323 HydrophobicContact CD2-CD1 4.33Å; F55-L323 HydrophobicContact CE2-CD1 3.87Å; V99-L323 HydrophobicContact CG2-CD1 4.15Å; I107-L323 HydrophobicContact CD1-CD1 4.12Å; I107-L323 HydrophobicContact CD1-CD2 4.24Å; I107-L323 HydrophobicContact CG1-CD2 4.35Å; L323-C363 WeakPolarHBondContact CD2-SG 3.34Å; L323-N365 HydrophobicContact CD2-CB 4.19Å
324T70.9Confident69.2Low31 Ų3172.2 Ų72.219%0.1940%0.4CS..  trans-120145-174.263.30000110L322 S326 G364 V366 V385L322-T324 HydrophobicContact CB-CG2 4.49Å; T324-S326 PolarHBondContact OG1-O 3.34Å; T324-G364 PolarHBondContact N-O 3.13Å; T324-G364 PolarHBondContact OG1-O 2.97Å; T324-V366 HydrophobicContact CG2-CB 4.13Å; T324-V366 HydrophobicContact CG2-CG2 3.76Å; T324-V385 HydrophobicContact CG2-CG1 3.88Å
325N69.1Low70.2Confident149 Ų14965.1 Ų65.180%0.79736%0.362SS*.SBendtrans-90.9-6.3176.764.7-3.6000112.9
326S69.4Low71Confident70 Ų7060.6 Ų60.649%0.4934%0.341SS..SBendtrans-150.5160.1-172.660.80000111.3T324 Y351T324-S326 PolarHBondContact OG1-O 3.34Å; S326-Y351 VanDerWaalsContact C-CE2 3.4Å; S326-Y351 WeakPolarHBondContact CA-OH 3.38Å; S326-Y351 WeakPolarHBondContact O-CE2 2.99Å
327S71.8Confident71.6Confident14 Ų1456.5 Ų56.510%0.09831%0.312CS..  trans-77.6145.7-179-171.40000110.6I329 H335 Y351S327-I329 WeakPolarHBondContact CB-O 3.28Å; S327-I329 PolarHBondContact O-N 3.03Å; S327-I329 VanDerWaalsContact O-N 3.09Å; S327-I329 PolarHBondContact OG-N 3.37Å; S327-I329 PolarHBondContact OG-O 3.05Å; S327-H335 PolarHBondContact OG-CE1 3.44Å; S327-H335 PolarHBondContact OG-NE2 3.14Å; S327-Y351 VanDerWaalsContact CA-CE1 3.47Å; S327-Y351 PolarHBondContact N-OH 3.34Å; S327-Y351 WeakPolarHBondContact OG-CD1 3.32Å; S327-Y351 WeakPolarHBondContact OG-CE1 3.34Å
328L71.4Confident72.2Confident38 Ų3855.3 Ų55.320%0.19931%0.307CS..SBendtrans-50.3-33.5167.3-67.6-176.7000113.1I158 V339 V349 V385I158-L328 HydrophobicContact CD1-CB 4.48Å; I158-L328 HydrophobicContact CD1-CD1 3.76Å; L328-V339 HydrophobicContact CD1-CG2 3.67Å; L328-V349 HydrophobicContact CD1-CB 3.7Å; L328-V349 HydrophobicContact CD1-CG1 3.25Å; L328-V349 HydrophobicContact CD1-CG2 4.12Å; L328-V349 HydrophobicContact CG-CG1 4.07Å; L328-V385 HydrophobicContact CD2-CB 4.28Å; L328-V385 HydrophobicContact CD2-CG1 3.99Å; L328-V385 HydrophobicContact CD2-CG2 4.46Å; L328-V385 VanDerWaalsContact CD2-O 3.3Å; L328-V385 WeakPolarHBondContact CD2-O 3.38Å
329I75.4Confident72.4Confident43 Ų4353.6 Ų53.622%0.22130%0.296CS..SBendtrans-130.3109169.9-59.6-175.3000107.3R148 L150 I158 S327 D331R148-I329 PolarHBondContact NH2-O 3.24Å; L150-I329 HydrophobicContact CD1-CD1 3.67Å; L150-I329 HydrophobicContact CD1-CG1 4.06Å; L150-I329 HydrophobicContact CD2-CD1 3.89Å; L150-I329 HydrophobicContact CG-CD1 4.33Å; I158-I329 HydrophobicContact CG2-CD1 4.06Å; I158-I329 HydrophobicContact CG2-CG1 4.48Å; S327-I329 WeakPolarHBondContact CB-O 3.28Å; S327-I329 PolarHBondContact O-N 3.03Å; S327-I329 VanDerWaalsContact O-N 3.09Å; S327-I329 PolarHBondContact OG-N 3.37Å; S327-I329 PolarHBondContact OG-O 3.05Å; I329-D331 PolarHBondContact O-N 2.99Å
330P73.6Confident72.4Confident113 Ų11354 Ų5473%0.73430%0.3SS*.  trans-49135.3179.3-28.534.7000112.1
331D71.3Confident72Confident75 Ų7554.8 Ų54.840%0.40130%0.302SS..  trans-140.3152.5175.8-152.8-32.8000108.4R148 I329 K333R148-D331 IonicContact CZ-OD2 2.76Å; R148-D331 IonicContact NE-OD2 2.63Å; R148-D331 IonicContact NH1-OD2 2.87Å; R148-D331 PolarHBondContact NH1-OD2 2.72Å; I329-D331 PolarHBondContact O-N 2.99Å; D331-K333 VanDerWaalsContact C-N 3.29Å
332T62.6Low71.4Confident141 Ų14159.2 Ų59.287%0.86532%0.319SS*.SBendtrans-80-16.7178.756.40000112.3
333K70.1Confident70.2Confident157 Ų15762.1 Ų62.168%0.68334%0.339SS*.SBendtrans-113.5153.5-179.4-65.5-173.5-179.7-175.90112.2D331 H335D331-K333 VanDerWaalsContact C-N 3.29Å; K333-H335 PolarHBondContact O-N 2.7Å; K333-H335 PolarHBondContact O-ND1 2.81Å
334S70.1Confident69Low49 Ų4969.1 Ų69.134%0.34336%0.362SS..  trans-59.1132167.664.50000110.5H353S334-H353 WeakPolarHBondContact CA-O 3.06Å; S334-H353 WeakPolarHBondContact CB-O 3.5Å
335H73.9Confident67.9Low6 Ų668.3 Ų68.33%0.02836%0.356CS..EExtended strand (participates in β ladder)trans-153.6157.8-173.166.4-78000111.8D147 R148 S327 K333 S337 Y351D147-H335 HydrophobicContact CB-CB 4.08Å; D147-H335 WeakPolarHBondContact OD2-CA 3.27Å; R148-H335 PolarHBondContact NE-CD2 2.91Å; R148-H335 PolarHBondContact NH2-CD2 3.07Å; R148-H335 PolarHBondContact NH2-CE1 3.22Å; R148-H335 PolarHBondContact NH2-NE2 3.11Å; S327-H335 PolarHBondContact OG-CE1 3.44Å; S327-H335 PolarHBondContact OG-NE2 3.14Å; K333-H335 PolarHBondContact O-N 2.7Å; K333-H335 PolarHBondContact O-ND1 2.81Å; H335-S337 PolarHBondContact CD2-OG 3.43Å; H335-Y351 AromaticContact CE1-CD1 3.65Å; H335-Y351 AromaticContact CE1-CE1 3.58Å; H335-Y351 AromaticContact NE2-CD1 3.42Å; H335-Y351 WeakPolarHBondContact NE2-CD1 3.23Å; H335-Y351 AromaticContact NE2-CE1 3.85Å
336V76.6Confident66.6Low0 Ų062.8 Ų62.80%033%0.327CS..EExtended strand (participates in β ladder)trans-112.7121.1170.6172.10000108.8K144 V146 D147 R148 F350 Y351K144-V336 HydrophobicContact CD-CG2 3.86Å; K144-V336 HydrophobicContact CG-CG2 4.39Å; V146-V336 HydrophobicContact CB-CG1 4.22Å; V146-V336 HydrophobicContact CG1-CG1 4.19Å; V146-V336 HydrophobicContact CG2-CG1 3.85Å; D147-V336 PolarHBondContact N-O 3.43Å; D147-V336 PolarHBondContact OD2-N 3.26Å; R148-V336 PolarHBondContact N-O 3.31Å; V336-F350 HydrophobicContact CB-CE2 4.24Å; V336-F350 HydrophobicContact CB-CZ 4.43Å; V336-F350 HydrophobicContact CG1-CD2 3.73Å; V336-F350 HydrophobicContact CG1-CE2 3.11Å; V336-F350 HydrophobicContact CG1-CZ 3.72Å; V336-F350 HydrophobicContact CG2-CE2 4.13Å; V336-F350 HydrophobicContact CG2-CZ 3.85Å; V336-Y351 WeakPolarHBondContact CA-O 3.32Å
337S76.4Confident65.7Low2 Ų260.5 Ų60.51%0.01431%0.307CS..EExtended strand (participates in β ladder)trans-109.2146.7175.3-570000110.9R148 H335 V349 F350R148-S337 PolarHBondContact NE-OG 3.34Å; R148-S337 CarbonylContact O-C 3.55Å; R148-S337 WeakPolarHBondContact O-CA 3.37Å; H335-S337 PolarHBondContact CD2-OG 3.43Å; S337-V349 CarbonylContact C-O 3.59Å; S337-F350 WeakPolarHBondContact O-CA 3.49Å
338F78.2Confident64.6Low24 Ų2459.9 Ų59.911%0.10530%0.303CS..EExtended strand (participates in β ladder)trans-115.5120.4163.7172.1-108.2000108L121 V146 R148 V149 L150 Q340 S348L121-F338 HydrophobicContact CD1-CB 3.88Å; L121-F338 HydrophobicContact CD1-CD2 3.54Å; L121-F338 HydrophobicContact CD1-CE2 4.21Å; L121-F338 HydrophobicContact CD1-CG 3.77Å; V146-F338 HydrophobicContact CG1-CB 4.12Å; R148-F338 PolarHBondContact O-N 3.26Å; V149-F338 CarbonylContact C-O 3.52Å; V149-F338 VanDerWaalsContact CA-O 3.32Å; V149-F338 WeakPolarHBondContact CA-O 3.47Å; V149-F338 HydrophobicContact CG1-CD1 4.1Å; V149-F338 HydrophobicContact CG2-CD1 4.36Å; L150-F338 PolarHBondContact N-O 3.36Å; F338-Q340 HydrophobicContact CE1-CB 4.23Å; F338-S348 VanDerWaalsContact CE2-OG 3.32Å; F338-S348 WeakPolarHBondContact CE2-OG 3.22Å
339V74.9Confident63.7Low1 Ų158.2 Ų58.21%0.00629%0.294CS..EExtended strand (participates in β ladder)trans-96.6143.4174.9-171.70000109.2L150 I158 L328 W347 S348 V349L150-V339 HydrophobicContact CB-CG1 4.44Å; L150-V339 HydrophobicContact CB-CG2 4.07Å; L150-V339 HydrophobicContact CD1-CG2 4.04Å; L150-V339 HydrophobicContact CG-CG2 4.49Å; L150-V339 CarbonylContact O-C 3.55Å; L150-V339 WeakPolarHBondContact O-CA 3.36Å; I158-V339 HydrophobicContact CD1-CG1 4.04Å; I158-V339 HydrophobicContact CG1-CG1 4.35Å; I158-V339 HydrophobicContact CG2-CG1 4.19Å; L328-V339 HydrophobicContact CD1-CG2 3.67Å; V339-W347 CarbonylContact C-O 3.3Å; V339-W347 VanDerWaalsContact C-O 3.3Å; V339-W347 CarbonylContact O-C 3.6Å; V339-S348 WeakPolarHBondContact O-CA 3.42Å; V339-V349 HydrophobicContact CB-CB 3.95Å; V339-V349 HydrophobicContact CB-CG2 4.46Å; V339-V349 HydrophobicContact CG2-CB 3.71Å; V339-V349 HydrophobicContact CG2-CG1 4.39Å; V339-V349 PolarHBondContact N-O 3.34Å
340Q72.8Confident62.7Low71 Ų7156.3 Ų56.333%0.33229%0.285SS..EExtended strand (participates in β ladder)trans-125.5124.1164.3-177.81741300108.4L150 T151 F338 L346L150-Q340 PolarHBondContact O-N 3.36Å; T151-Q340 WeakPolarHBondContact CA-O 3.45Å; T151-Q340 PolarHBondContact OG1-O 3.49Å; F338-Q340 HydrophobicContact CE1-CB 4.23Å; Q340-L346 HydrophobicContact CG-CD1 3.64Å; Q340-L346 HydrophobicContact CG-CG 4.41Å
341R65.3Low61.7Low23 Ų2351.1 Ų51.19%0.08725%0.25CS..  trans-117.3146177.2174.1173.5-166.5165.2-2.5110.5T152 E155 W347 K384T152-R341 HydrophobicContact CG2-CB 3.93Å; T152-R341 HydrophobicContact CG2-CG 3.73Å; E155-R341 PolarHBondContact O-NH2 2.94Å; R341-W347 HydrophobicContact CB-CB 4.22Å; R341-W347 HydrophobicContact CB-CG 4.16Å; R341-K384 VanDerWaalsContact CZ-CD 3.43Å; R341-K384 VanDerWaalsContact NH1-CD 3.26Å; R341-K384 VanDerWaalsContact NH1-CG 3.29Å
342K60.7Low60.9Low148 Ų14847.7 Ų47.764%0.64323%0.232SC*.  trans-124.9158.3173.4-73.9-171.1-180-178.20107.7
343P49Very low60.4Low87 Ų8744.4 Ų44.457%0.56521%0.207SC*.SBendcis-95.6157.92.633.4-22.5000111.8V345P343-V345 VanDerWaalsContact C-N 3.3Å; P343-V345 PolarHBondContact O-N 3.09Å
344R46.4Very low59.7Low210 Ų21038.4 Ų38.479%0.79218%0.182SC*.SBendtrans72.7-29.9173.2-58.7-177.7169.9-179.7-4118.9
345V46.5Very low58.7Low13 Ų1339.8 Ų39.88%0.07919%0.19CC..  trans-123.3116.3-172.3-174.20000111.9P343 W347 T370P343-V345 VanDerWaalsContact C-N 3.3Å; P343-V345 PolarHBondContact O-N 3.09Å; V345-W347 HydrophobicContact CB-CZ2 4.39Å; V345-W347 HydrophobicContact CG1-CD2 4.3Å; V345-W347 HydrophobicContact CG1-CG 4.33Å; V345-W347 HydrophobicContact CG1-CZ2 3.77Å; V345-W347 VanDerWaalsContact CG1-NE1 3.3Å; V345-W347 PolarHBondContact O-N 3.37Å; V345-T370 HydrophobicContact CG1-CG2 3.14Å
346L42.7Very low57.4Low34 Ų3446.6 Ų46.618%0.17823%0.226CC..  trans-81.776.3178.6-165.1104.1000111.5Y118 Q340 S348 T369Y118-L346 HydrophobicContact CD1-CB 4.2Å; Y118-L346 HydrophobicContact CD1-CD2 3.42Å; Y118-L346 VanDerWaalsContact CD1-CD2 3.42Å; Y118-L346 HydrophobicContact CD1-CG 4.42Å; Y118-L346 HydrophobicContact CD2-CD2 3.57Å; Y118-L346 HydrophobicContact CE1-CB 4.11Å; Y118-L346 HydrophobicContact CE1-CD2 3.97Å; Y118-L346 HydrophobicContact CE2-CD2 4.09Å; Y118-L346 HydrophobicContact CG-CD2 3.21Å; Q340-L346 HydrophobicContact CG-CD1 3.64Å; Q340-L346 HydrophobicContact CG-CG 4.41Å; L346-S348 WeakPolarHBondContact CD2-OG 3.35Å; L346-S348 PolarHBondContact O-N 2.77Å; L346-S348 PolarHBondContact O-OG 3.02Å; L346-T369 CarbonylContact C-O 3.56Å
347W49.4Very low56Low22 Ų2250.3 Ų50.38%0.08325%0.246CC..  trans-62.394.7174.2-56.875.1000110.7V339 R341 V345 V349 V368 I381V339-W347 CarbonylContact C-O 3.3Å; V339-W347 VanDerWaalsContact C-O 3.3Å; V339-W347 CarbonylContact O-C 3.6Å; R341-W347 HydrophobicContact CB-CB 4.22Å; R341-W347 HydrophobicContact CB-CG 4.16Å; V345-W347 HydrophobicContact CB-CZ2 4.39Å; V345-W347 HydrophobicContact CG1-CD2 4.3Å; V345-W347 HydrophobicContact CG1-CG 4.33Å; V345-W347 HydrophobicContact CG1-CZ2 3.77Å; V345-W347 VanDerWaalsContact CG1-NE1 3.3Å; V345-W347 PolarHBondContact O-N 3.37Å; W347-V349 VanDerWaalsContact C-N 3.29Å; W347-V349 HydrophobicContact CB-CG2 4.48Å; W347-V349 PolarHBondContact O-N 2.83Å; W347-V368 HydrophobicContact CD2-CG1 3.98Å; W347-V368 HydrophobicContact CE3-CB 4.06Å; W347-V368 HydrophobicContact CE3-CG1 3.15Å; W347-V368 HydrophobicContact CE3-CG2 3.71Å; W347-V368 HydrophobicContact CH2-CG1 4.08Å; W347-V368 HydrophobicContact CZ3-CB 4.17Å; W347-V368 HydrophobicContact CZ3-CG1 3.22Å; W347-V368 HydrophobicContact CZ3-CG2 4Å; W347-I381 HydrophobicContact CE3-CG2 4.23Å; W347-I381 HydrophobicContact CH2-CB 4Å; W347-I381 HydrophobicContact CH2-CD1 3.31Å; W347-I381 HydrophobicContact CH2-CG1 3.18Å; W347-I381 HydrophobicContact CH2-CG2 4.25Å; W347-I381 HydrophobicContact CZ2-CG1 4.41Å; W347-I381 HydrophobicContact CZ3-CB 3.65Å; W347-I381 HydrophobicContact CZ3-CD1 3.4Å; W347-I381 VanDerWaalsContact CZ3-CD1 3.4Å; W347-I381 HydrophobicContact CZ3-CG1 3.3Å; W347-I381 HydrophobicContact CZ3-CG2 3.4Å
348S49.8Very low54.4Low0 Ų057.4 Ų57.40%029%0.289CS..  trans-8471176.2-62.40000110.8V119 F338 V339 L346 F350 I367V119-S348 WeakPolarHBondContact CG2-O 3.34Å; F338-S348 VanDerWaalsContact CE2-OG 3.32Å; F338-S348 WeakPolarHBondContact CE2-OG 3.22Å; V339-S348 WeakPolarHBondContact O-CA 3.42Å; L346-S348 WeakPolarHBondContact CD2-OG 3.35Å; L346-S348 PolarHBondContact O-N 2.77Å; L346-S348 PolarHBondContact O-OG 3.02Å; S348-F350 PolarHBondContact O-N 3.39Å; S348-F350 VanDerWaalsContact O-N 3.09Å; S348-I367 CarbonylContact C-O 3.35Å
349V51.3Low52.8Low4 Ų462.2 Ų62.22%0.02431%0.312CS..  trans-71.7109.7179.5177.10000110.7L328 S337 V339 W347 V366 I367 V368L328-V349 HydrophobicContact CD1-CB 3.7Å; L328-V349 HydrophobicContact CD1-CG1 3.25Å; L328-V349 HydrophobicContact CD1-CG2 4.12Å; L328-V349 HydrophobicContact CG-CG1 4.07Å; S337-V349 CarbonylContact C-O 3.59Å; V339-V349 HydrophobicContact CB-CB 3.95Å; V339-V349 HydrophobicContact CB-CG2 4.46Å; V339-V349 HydrophobicContact CG2-CB 3.71Å; V339-V349 HydrophobicContact CG2-CG1 4.39Å; V339-V349 PolarHBondContact N-O 3.34Å; W347-V349 VanDerWaalsContact C-N 3.29Å; W347-V349 HydrophobicContact CB-CG2 4.48Å; W347-V349 PolarHBondContact O-N 2.83Å; V349-V366 HydrophobicContact CB-CG1 4.04Å; V349-V366 HydrophobicContact CG1-CB 3.82Å; V349-V366 HydrophobicContact CG1-CG1 3.26Å; V349-V366 HydrophobicContact CG1-CG2 3.53Å; V349-V366 HydrophobicContact CG2-CG1 3.76Å; V349-I367 VanDerWaalsContact CA-O 3.28Å; V349-I367 WeakPolarHBondContact CA-O 3.19Å; V349-V368 HydrophobicContact CG2-CG2 4.08Å
350F54.1Low51.5Low3 Ų372.1 Ų72.11%0.01335%0.349CS..EExtended strand (participates in β ladder)trans-80.8141.4162.9-170.5-102.7000109V119 W238 V336 S337 S348 N352 N365 V366 I367V119-F350 HydrophobicContact CG1-CB 4.35Å; W238-F350 HydrophobicContact CB-CE2 4.15Å; W238-F350 HydrophobicContact CB-CZ 4.46Å; W238-F350 AromaticContact CD1-CZ 3.63Å; W238-F350 HydrophobicContact CD2-CD2 4.17Å; W238-F350 HydrophobicContact CD2-CE1 4.18Å; W238-F350 AromaticContact CD2-CE2 3.21Å; W238-F350 HydrophobicContact CD2-CE2 3.21Å; W238-F350 AromaticContact CD2-CZ 3.27Å; W238-F350 HydrophobicContact CD2-CZ 3.27Å; W238-F350 AromaticContact CE2-CE1 3.6Å; W238-F350 AromaticContact CE2-CE2 3.55Å; W238-F350 AromaticContact CE2-CZ 3.09Å; W238-F350 AromaticContact CE3-CD2 3.89Å; W238-F350 HydrophobicContact CE3-CD2 3.89Å; W238-F350 AromaticContact CE3-CE2 3.36Å; W238-F350 HydrophobicContact CE3-CE2 3.36Å; W238-F350 AromaticContact CE3-CZ 3.86Å; W238-F350 HydrophobicContact CE3-CZ 3.86Å; W238-F350 AromaticContact CG-CE2 3.59Å; W238-F350 HydrophobicContact CG-CE2 3.59Å; W238-F350 AromaticContact CG-CZ 3.56Å; W238-F350 HydrophobicContact CG-CZ 3.56Å; W238-F350 AromaticContact CH2-CD1 3.98Å; W238-F350 HydrophobicContact CH2-CD1 3.98Å; W238-F350 AromaticContact CH2-CD2 3.98Å; W238-F350 HydrophobicContact CH2-CD2 3.98Å; W238-F350 AromaticContact CH2-CE1 3.87Å; W238-F350 HydrophobicContact CH2-CE1 3.87Å; W238-F350 AromaticContact CH2-CE2 3.86Å; W238-F350 HydrophobicContact CH2-CE2 3.86Å; W238-F350 HydrophobicContact CH2-CG 4.05Å; W238-F350 AromaticContact CH2-CZ 3.86Å; W238-F350 HydrophobicContact CH2-CZ 3.86Å; W238-F350 HydrophobicContact CZ2-CD1 4.01Å; W238-F350 HydrophobicContact CZ2-CD2 4.41Å; W238-F350 AromaticContact CZ2-CE1 3.45Å; W238-F350 HydrophobicContact CZ2-CE1 3.45Å; W238-F350 VanDerWaalsContact CZ2-CE1 3.45Å; W238-F350 AromaticContact CZ2-CE2 3.89Å; W238-F350 HydrophobicContact CZ2-CE2 3.89Å; W238-F350 HydrophobicContact CZ2-CG 4.46Å; W238-F350 AromaticContact CZ2-CZ 3.43Å; W238-F350 HydrophobicContact CZ2-CZ 3.43Å; W238-F350 VanDerWaalsContact CZ2-CZ 3.43Å; W238-F350 AromaticContact CZ3-CD2 3.78Å; W238-F350 HydrophobicContact CZ3-CD2 3.78Å; W238-F350 AromaticContact CZ3-CE2 3.67Å; W238-F350 HydrophobicContact CZ3-CE2 3.67Å; W238-F350 HydrophobicContact CZ3-CG 4.26Å; W238-F350 HydrophobicContact CZ3-CZ 4.12Å; W238-F350 AromaticContact NE1-CE1 3.97Å; W238-F350 AromaticContact NE1-CZ 3.36Å; V336-F350 HydrophobicContact CB-CE2 4.24Å; V336-F350 HydrophobicContact CB-CZ 4.43Å; V336-F350 HydrophobicContact CG1-CD2 3.73Å; V336-F350 HydrophobicContact CG1-CE2 3.11Å; V336-F350 HydrophobicContact CG1-CZ 3.72Å; V336-F350 HydrophobicContact CG2-CE2 4.13Å; V336-F350 HydrophobicContact CG2-CZ 3.85Å; S337-F350 WeakPolarHBondContact O-CA 3.49Å; S348-F350 PolarHBondContact O-N 3.39Å; S348-F350 VanDerWaalsContact O-N 3.09Å; F350-N352 HydrophobicContact CD1-CB 4.42Å; F350-N352 HydrophobicContact CE1-CB 3.63Å; F350-N352 HydrophobicContact CZ-CB 4.23Å; F350-N365 CarbonylContact C-O 3.52Å; F350-V366 VanDerWaalsContact O-CA 3.23Å; F350-V366 WeakPolarHBondContact O-CA 3.3Å; F350-I367 HydrophobicContact CB-CD1 4.18Å; F350-I367 HydrophobicContact CD1-CD1 4.42Å
351Y53.7Low50.5Low4 Ų469.1 Ų69.12%0.01634%0.335CS..EExtended strand (participates in β ladder)trans-137.8128.2169.3175-101.4000107.3S326 S327 H335 V336 H353 N365 V366S326-Y351 VanDerWaalsContact C-CE2 3.4Å; S326-Y351 WeakPolarHBondContact CA-OH 3.38Å; S326-Y351 WeakPolarHBondContact O-CE2 2.99Å; S327-Y351 VanDerWaalsContact CA-CE1 3.47Å; S327-Y351 PolarHBondContact N-OH 3.34Å; S327-Y351 WeakPolarHBondContact OG-CD1 3.32Å; S327-Y351 WeakPolarHBondContact OG-CE1 3.34Å; H335-Y351 AromaticContact CE1-CD1 3.65Å; H335-Y351 AromaticContact CE1-CE1 3.58Å; H335-Y351 AromaticContact NE2-CD1 3.42Å; H335-Y351 WeakPolarHBondContact NE2-CD1 3.23Å; H335-Y351 AromaticContact NE2-CE1 3.85Å; V336-Y351 WeakPolarHBondContact CA-O 3.32Å; Y351-H353 HydrophobicContact CD1-CB 4.21Å; Y351-H353 HydrophobicContact CE1-CB 3.22Å; Y351-H353 HydrophobicContact CE2-CB 4.49Å; Y351-H353 VanDerWaalsContact CZ-CB 3.42Å; Y351-H353 WeakPolarHBondContact OH-CB 3.21Å; Y351-N365 WeakPolarHBondContact CA-O 2.83Å; Y351-V366 HydrophobicContact CD2-CG2 4.35Å
352N54.7Low49.8Very low2 Ų268.7 Ų68.71%0.01134%0.335CS..EExtended strand (participates in β ladder)trans-123.4109.9173.4-167.819.7000110.7F350 L354 S361 T362 G364F350-N352 HydrophobicContact CD1-CB 4.42Å; F350-N352 HydrophobicContact CE1-CB 3.63Å; F350-N352 HydrophobicContact CZ-CB 4.23Å; N352-L354 WeakPolarHBondContact ND2-CD1 3.35Å; N352-L354 WeakPolarHBondContact OD1-CD1 3.13Å; N352-L354 VanDerWaalsContact OD1-CG 3.31Å; N352-L354 WeakPolarHBondContact OD1-CG 3.25Å; N352-S361 PolarHBondContact ND2-O 2.92Å; N352-T362 PolarHBondContact ND2-OG1 3.2Å; N352-G364 WeakPolarHBondContact O-CA 3.42Å; N352-G364 PolarHBondContact O-N 3.09Å
353H52Low49.4Very low73 Ų7362 Ų6234%0.33831%0.308SS..EExtended strand (participates in β ladder)trans-116.3109170.8-17157.5000109S334 Y351 P355S334-H353 WeakPolarHBondContact CA-O 3.06Å; S334-H353 WeakPolarHBondContact CB-O 3.5Å; Y351-H353 HydrophobicContact CD1-CB 4.21Å; Y351-H353 HydrophobicContact CE1-CB 3.22Å; Y351-H353 HydrophobicContact CE2-CB 4.49Å; Y351-H353 VanDerWaalsContact CZ-CB 3.42Å; Y351-H353 WeakPolarHBondContact OH-CB 3.21Å; H353-P355 VanDerWaalsContact C-CD 3.47Å; H353-P355 WeakPolarHBondContact O-CD 3.44Å
354L54.5Low49.9Very low30 Ų3058.7 Ų58.716%0.15729%0.289CS..  trans-118.677177.2-69.9164.6000108.2M240 N352 D356 L357M240-L354 HydrophobicContact CE-CD1 4.48Å; N352-L354 WeakPolarHBondContact ND2-CD1 3.35Å; N352-L354 WeakPolarHBondContact OD1-CD1 3.13Å; N352-L354 VanDerWaalsContact OD1-CG 3.31Å; N352-L354 WeakPolarHBondContact OD1-CG 3.25Å; L354-D356 PolarHBondContact O-N 2.81Å; L354-L357 HydrophobicContact CB-CB 4.49Å; L354-L357 HydrophobicContact CB-CD1 4.1Å; L354-L357 HydrophobicContact CD1-CD1 4.3Å; L354-L357 HydrophobicContact CD2-CD1 3.82Å; L354-L357 HydrophobicContact CG-CD1 4.28Å
355P48.8Very low50.9Low79 Ų7948.7 Ų48.751%0.51325%0.251SS..THydrogen-bonded Turntrans-64.1-22.1-175.723.1-31.3000113.7H353H353-P355 VanDerWaalsContact C-CD 3.47Å; H353-P355 WeakPolarHBondContact O-CD 3.44Å
356D48.5Very low52Low148 Ų14848.1 Ų48.179%0.79125%0.247SC*.THydrogen-bonded Turntrans-105.80.1-171.5-61.5-41.1000115.1L354 V358L354-D356 PolarHBondContact O-N 2.81Å; D356-V358 PolarHBondContact O-N 3.49Å
357L45.8Very low53.4Low79 Ų7946.5 Ų46.541%0.41424%0.239SC..  trans-90.4106171.7-87.5106.8000109.8L354 E359L354-L357 HydrophobicContact CB-CB 4.49Å; L354-L357 HydrophobicContact CB-CD1 4.1Å; L354-L357 HydrophobicContact CD1-CD1 4.3Å; L354-L357 HydrophobicContact CD2-CD1 3.82Å; L354-L357 HydrophobicContact CG-CD1 4.28Å; L357-E359 HydrophobicContact CD2-CB 4.4Å; L357-E359 PolarHBondContact O-N 3.25Å
358V43.4Very low54.5Low151 Ų15145.4 Ų45.492%0.91524%0.235SC*.  trans-56.8-8.9163.8177.90000111.8D356D356-V358 PolarHBondContact O-N 3.49Å
359E44.3Very low55.5Low125 Ų12545.6 Ų45.658%0.58424%0.236SC*.SBendtrans-106.8100.8-177.3-66.5-180162.900111.7L357 S361L357-E359 HydrophobicContact CD2-CB 4.4Å; L357-E359 PolarHBondContact O-N 3.25Å; E359-S361 WeakPolarHBondContact O-CA 2.93Å; E359-S361 VanDerWaalsContact O-CB 3.26Å; E359-S361 WeakPolarHBondContact O-CB 3.21Å; E359-S361 PolarHBondContact O-N 2.95Å; E359-S361 PolarHBondContact O-OG 3.39Å
360R48.6Very low56.3Low208 Ų20845.4 Ų45.479%0.78524%0.235SC*.  trans29.314.4141.9-60.1-175.8-179.5179.5-0.3121.1L106 T362L106-R360 WeakPolarHBondContact CD1-O 3.46Å; R360-T362 PolarHBondContact O-N 3.08Å
361S50.2Low56.8Low8 Ų846.3 Ų46.36%0.05624%0.241CC..  trans-97.173-164.249.60000111.2N352 E359N352-S361 PolarHBondContact ND2-O 2.92Å; E359-S361 WeakPolarHBondContact O-CA 2.93Å; E359-S361 VanDerWaalsContact O-CB 3.26Å; E359-S361 WeakPolarHBondContact O-CB 3.21Å; E359-S361 PolarHBondContact O-N 2.95Å; E359-S361 PolarHBondContact O-OG 3.39Å
362T51Low57.3Low14 Ų1447.7 Ų47.79%0.08625%0.251CS..  trans62.5139174.763.50000116.2L106 T108 N352 R360L106-T362 HydrophobicContact CB-CG2 4.08Å; L106-T362 WeakPolarHBondContact O-CA 3.17Å; T108-T362 WeakPolarHBondContact OG1-CG2 3.12Å; N352-T362 PolarHBondContact ND2-OG1 3.2Å; R360-T362 PolarHBondContact O-N 3.08Å
363C52.4Low57.7Low9 Ų951.7 Ų51.76%0.06129%0.292CS..  trans-70.7167.7175.851.10000112.5M105 L106 L323 N365M105-C363 HydrophobicContact CB-CB 4.26Å; M105-C363 VanDerWaalsContact CE-CA 3.46Å; M105-C363 HydrophobicContact CE-CB 3.39Å; M105-C363 HydrophobicContact SD-CB 3.8Å; L106-C363 PolarHBondContact O-N 3.27Å; L323-C363 WeakPolarHBondContact CD2-SG 3.34Å; C363-N365 PolarHBondContact O-N 2.87Å; C363-N365 PolarHBondContact O-OD1 2.96Å; C363-N365 VanDerWaalsContact O-OD1 3.04Å
364G60Low58.3Low16 Ų1649.2 Ų49.217%0.16528%0.283CS..SBendtrans-62.771.8163.900000111.2T324 N352T324-G364 PolarHBondContact N-O 3.13Å; T324-G364 PolarHBondContact OG1-O 2.97Å; N352-G364 WeakPolarHBondContact O-CA 3.42Å; N352-G364 PolarHBondContact O-N 3.09Å
365N66.5Low58.8Low0 Ų055.2 Ų55.20%031%0.31CS..EExtended strand (participates in β ladder)trans-97.8138.6-179.460.3-16.9000110.8L322 L323 F350 Y351 C363L322-N365 CarbonylContact O-C 3.53Å; L322-N365 VanDerWaalsContact O-CA 3.32Å; L322-N365 WeakPolarHBondContact O-CA 3.08Å; L323-N365 HydrophobicContact CD2-CB 4.19Å; F350-N365 CarbonylContact C-O 3.52Å; Y351-N365 WeakPolarHBondContact CA-O 2.83Å; C363-N365 PolarHBondContact O-N 2.87Å; C363-N365 PolarHBondContact O-OD1 2.96Å; C363-N365 VanDerWaalsContact O-OD1 3.04Å
366V69.5Low59.7Low1 Ų155 Ų551%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-103.5111.3165.2162.90000108.2L322 T324 V349 F350 Y351 V368 V385L322-V366 HydrophobicContact CB-CB 4.11Å; L322-V366 HydrophobicContact CB-CG1 4.4Å; L322-V366 HydrophobicContact CD1-CG1 4Å; L322-V366 PolarHBondContact N-O 3.04Å; L322-V366 PolarHBondContact O-N 3Å; T324-V366 HydrophobicContact CG2-CB 4.13Å; T324-V366 HydrophobicContact CG2-CG2 3.76Å; V349-V366 HydrophobicContact CB-CG1 4.04Å; V349-V366 HydrophobicContact CG1-CB 3.82Å; V349-V366 HydrophobicContact CG1-CG1 3.26Å; V349-V366 HydrophobicContact CG1-CG2 3.53Å; V349-V366 HydrophobicContact CG2-CG1 3.76Å; F350-V366 VanDerWaalsContact O-CA 3.23Å; F350-V366 WeakPolarHBondContact O-CA 3.3Å; Y351-V366 HydrophobicContact CD2-CG2 4.35Å; V366-V368 HydrophobicContact CG1-CG2 4.06Å; V366-V385 HydrophobicContact CB-CG1 4.04Å; V366-V385 HydrophobicContact CG1-CG1 3.78Å; V366-V385 HydrophobicContact CG1-CG2 3.97Å; V366-V385 HydrophobicContact CG2-CG1 4.05Å
367I72.1Confident60.7Low0 Ų052.2 Ų52.20%028%0.284CS..EExtended strand (participates in β ladder)trans-95.1127.9173.9-63.6147.1000107.6F110 V119 W238 S348 V349 F350F110-I367 HydrophobicContact CD2-CD1 3.39Å; F110-I367 HydrophobicContact CD2-CG1 4.14Å; F110-I367 HydrophobicContact CD2-CG2 4.38Å; F110-I367 HydrophobicContact CE2-CD1 3.27Å; F110-I367 HydrophobicContact CE2-CG1 4.45Å; V119-I367 HydrophobicContact CG2-CG2 3.92Å; W238-I367 HydrophobicContact CH2-CD1 4.43Å; S348-I367 CarbonylContact C-O 3.35Å; V349-I367 VanDerWaalsContact CA-O 3.28Å; V349-I367 WeakPolarHBondContact CA-O 3.19Å; F350-I367 HydrophobicContact CB-CD1 4.18Å; F350-I367 HydrophobicContact CD1-CD1 4.42Å
368V72.5Confident61.9Low0 Ų050.6 Ų50.60%028%0.275CS..EExtended strand (participates in β ladder)trans-114.5133.4172.9172.90000107.6R319 A320 L322 W347 V349 V366 T370 W376 I381R319-V368 VanDerWaalsContact CA-O 3.26Å; R319-V368 WeakPolarHBondContact CA-O 3.25Å; R319-V368 VanDerWaalsContact CG-O 3.31Å; R319-V368 WeakPolarHBondContact CG-O 3.35Å; A320-V368 HydrophobicContact CB-CB 4.26Å; A320-V368 PolarHBondContact N-O 3.36Å; A320-V368 PolarHBondContact O-N 3.29Å; L322-V368 HydrophobicContact CD1-CG2 4.3Å; W347-V368 HydrophobicContact CD2-CG1 3.98Å; W347-V368 HydrophobicContact CE3-CB 4.06Å; W347-V368 HydrophobicContact CE3-CG1 3.15Å; W347-V368 HydrophobicContact CE3-CG2 3.71Å; W347-V368 HydrophobicContact CH2-CG1 4.08Å; W347-V368 HydrophobicContact CZ3-CB 4.17Å; W347-V368 HydrophobicContact CZ3-CG1 3.22Å; W347-V368 HydrophobicContact CZ3-CG2 4Å; V349-V368 HydrophobicContact CG2-CG2 4.08Å; V366-V368 HydrophobicContact CG1-CG2 4.06Å; V368-T370 HydrophobicContact CG1-CG2 4.34Å; V368-W376 HydrophobicContact CG1-CZ3 4.22Å; V368-I381 HydrophobicContact CG2-CG2 4.01Å
369T71.3Confident63.3Low4 Ų449.3 Ų49.33%0.02526%0.263CS..EExtended strand (participates in β ladder)trans-131.5139.2169.6-59.30000108.8C318 R319 L346C318-T369 WeakPolarHBondContact O-CA 3.47Å; R319-T369 PolarHBondContact NE-OG1 3.09Å; R319-T369 VanDerWaalsContact NE-OG1 3.1Å; L346-T369 CarbonylContact C-O 3.56Å
370T67.5Low64.6Low0 Ų044.3 Ų44.30%024%0.242CC..EExtended strand (participates in β ladder)trans-118.5145.9177.468.10000110.1F317 C318 V345 V368 W376F317-T370 WeakPolarHBondContact CD1-O 3.45Å; C318-T370 WeakPolarHBondContact CB-OG1 3.3Å; C318-T370 PolarHBondContact O-N 3.38Å; C318-T370 PolarHBondContact O-OG1 2.58Å; V345-T370 HydrophobicContact CG1-CG2 3.14Å; V368-T370 HydrophobicContact CG1-CG2 4.34Å; T370-W376 HydrophobicContact CG2-CE3 3.71Å; T370-W376 HydrophobicContact CG2-CZ3 3.62Å
371P65Low65.5Low22 Ų2234.4 Ų34.414%0.14321%0.205CC..  trans-68.2160.8173.524.8-28.5000111.5Y118 S374Y118-P371 HydrophobicContact CE1-CB 4.04Å; Y118-P371 HydrophobicContact CE1-CG 4.38Å; P371-S374 VanDerWaalsContact CD-OG 3.23Å; P371-S374 WeakPolarHBondContact CD-OG 3.4Å; P371-S374 VanDerWaalsContact CG-OG 3.29Å; P371-S374 WeakPolarHBondContact CG-OG 3.48Å; P371-S374 WeakPolarHBondContact O-CB 3.35Å; P371-S374 PolarHBondContact O-N 2.74Å; P371-S374 PolarHBondContact O-OG 3.24Å
372P64Low66.4Low33 Ų3337.1 Ų37.121%0.21422%0.218CC..THydrogen-bonded Turntrans-59.9143.3178.5-22.536.7000112.5E315 S316 F317 S374E315-P372 HydrophobicContact CB-CB 3.64Å; E315-P372 HydrophobicContact CB-CG 3.78Å; E315-P372 HydrophobicContact CG-CB 3.74Å; E315-P372 HydrophobicContact CG-CG 4.2Å; S316-P372 WeakPolarHBondContact O-CA 3.27Å; S316-P372 WeakPolarHBondContact O-CB 3.3Å; F317-P372 HydrophobicContact CD1-CG 3.84Å; F317-P372 HydrophobicContact CD2-CG 4.05Å; F317-P372 HydrophobicContact CE1-CG 3.54Å; F317-P372 HydrophobicContact CE2-CG 3.73Å; F317-P372 HydrophobicContact CG-CG 4.07Å; F317-P372 HydrophobicContact CZ-CG 3.43Å; F317-P372 VanDerWaalsContact CZ-CG 3.43Å; P372-S374 PolarHBondContact O-N 3.44Å
373G63.3Low67.4Low86 Ų8643.3 Ų43.389%0.88725%0.246SC*.THydrogen-bonded Turntrans74.37.2-175.800000115.1
374S64.6Low68Low20 Ų2046.5 Ų46.514%0.1426%0.259CS..  trans-71142.5170.6-64.20000111.4P371 P372 W376P371-S374 VanDerWaalsContact CD-OG 3.23Å; P371-S374 WeakPolarHBondContact CD-OG 3.4Å; P371-S374 VanDerWaalsContact CG-OG 3.29Å; P371-S374 WeakPolarHBondContact CG-OG 3.48Å; P371-S374 WeakPolarHBondContact O-CB 3.35Å; P371-S374 PolarHBondContact O-N 2.74Å; P371-S374 PolarHBondContact O-OG 3.24Å; P372-S374 PolarHBondContact O-N 3.44Å; S374-W376 PolarHBondContact O-N 3.26Å
375E64.8Low68.2Low157 Ų15746.5 Ų46.573%0.73426%0.256SS*.  trans-60.7129.4164-72.8171.8-16600109.3
376W67.9Low67.9Low74 Ų7453.7 Ų53.728%0.2830%0.3SS..  trans-119.5120.9-179.5-179.5-101.2000109.1C318 R319 A320 V368 T370 S374 M378 I381C318-W376 HydrophobicContact CB-CB 4.33Å; C318-W376 HydrophobicContact CB-CD2 3.33Å; C318-W376 HydrophobicContact CB-CE3 3.2Å; C318-W376 HydrophobicContact CB-CG 3.88Å; C318-W376 HydrophobicContact CB-CH2 3.99Å; C318-W376 HydrophobicContact CB-CZ2 4.11Å; C318-W376 HydrophobicContact CB-CZ3 3.57Å; R319-W376 VanDerWaalsContact C-CH2 3.45Å; A320-W376 HydrophobicContact CB-CH2 3.49Å; A320-W376 VanDerWaalsContact CB-CH2 3.49Å; A320-W376 HydrophobicContact CB-CZ2 3.85Å; V368-W376 HydrophobicContact CG1-CZ3 4.22Å; T370-W376 HydrophobicContact CG2-CE3 3.71Å; T370-W376 HydrophobicContact CG2-CZ3 3.62Å; S374-W376 PolarHBondContact O-N 3.26Å; W376-M378 HydrophobicContact CH2-SD 4.07Å; W376-M378 HydrophobicContact CZ2-CG 4.19Å; W376-M378 HydrophobicContact CZ2-SD 3.25Å; W376-M378 WeakPolarHBondContact CZ2-SD 3.38Å; W376-I381 HydrophobicContact CD2-CD1 4.01Å; W376-I381 HydrophobicContact CE3-CD1 3.65Å; W376-I381 HydrophobicContact CH2-CD1 3.34Å; W376-I381 HydrophobicContact CZ2-CD1 3.73Å; W376-I381 HydrophobicContact CZ3-CD1 3.28Å
377D70.7Confident67.9Low89 Ų8956.4 Ų56.448%0.47632%0.315SS..  trans-144.499.3179.31738.6000108.5D379 S380 I381D377-D379 VanDerWaalsContact C-N 3.32Å; D377-D379 PolarHBondContact O-N 3.12Å; D377-D379 PolarHBondContact OD1-N 3.32Å; D377-S380 WeakPolarHBondContact O-CB 3.01Å; D377-S380 PolarHBondContact O-N 3.45Å; D377-S380 PolarHBondContact OD1-N 2.92Å; D377-S380 WeakPolarHBondContact OD2-CB 3.4Å; D377-I381 WeakPolarHBondContact O-CG1 3.17Å; D377-I381 PolarHBondContact O-N 2.89Å
378M69.9Low67.6Low45 Ų4559.3 Ų59.322%0.22233%0.331CS..Hα-helixtrans-55.7-40.8-176.9-80.9-60.5-69.900113E92 A320 L322 W376 S380 I381 I382E92-M378 WeakPolarHBondContact OE2-CG 3.42Å; A320-M378 HydrophobicContact CB-CE 4.05Å; A320-M378 HydrophobicContact CB-SD 3.85Å; L322-M378 HydrophobicContact CD2-CE 4.43Å; W376-M378 HydrophobicContact CH2-SD 4.07Å; W376-M378 HydrophobicContact CZ2-CG 4.19Å; W376-M378 HydrophobicContact CZ2-SD 3.25Å; W376-M378 WeakPolarHBondContact CZ2-SD 3.38Å; M378-S380 VanDerWaalsContact C-N 3.32Å; M378-S380 PolarHBondContact O-N 3.19Å; M378-I381 VanDerWaalsContact O-CB 3.28Å; M378-I381 WeakPolarHBondContact O-CB 3.1Å; M378-I381 PolarHBondContact O-N 2.85Å; M378-I381 VanDerWaalsContact O-N 3.12Å; M378-I381 HydrophobicContact SD-CD1 3.78Å; M378-I381 HydrophobicContact SD-CG1 4.44Å; M378-I382 HydrophobicContact CE-CD1 4.49Å; M378-I382 VanDerWaalsContact O-CG1 3.29Å; M378-I382 WeakPolarHBondContact O-CG1 3.03Å; M378-I382 PolarHBondContact O-N 3.43Å
379D72Confident67.4Low124 Ų12462.6 Ų62.666%0.66335%0.349SS*.Hα-helixtrans-64.2-43.5-179.8-70.9-31.4000110.2D377 I381 I382 E383D377-D379 VanDerWaalsContact C-N 3.32Å; D377-D379 PolarHBondContact O-N 3.12Å; D377-D379 PolarHBondContact OD1-N 3.32Å; D379-I381 VanDerWaalsContact C-N 3.32Å; D379-I381 PolarHBondContact O-N 2.96Å; D379-I382 PolarHBondContact O-N 2.99Å; D379-E383 WeakPolarHBondContact O-CB 3.03Å; D379-E383 PolarHBondContact O-N 3Å
380S71.8Confident67.1Low21 Ų2166.1 Ų66.115%0.14737%0.369CS..Hα-helixtrans-63.3-38.9174.2-162.90000111.9D377 M378 K384D377-S380 WeakPolarHBondContact O-CB 3.01Å; D377-S380 PolarHBondContact O-N 3.45Å; D377-S380 PolarHBondContact OD1-N 2.92Å; D377-S380 WeakPolarHBondContact OD2-CB 3.4Å; M378-S380 VanDerWaalsContact C-N 3.32Å; M378-S380 PolarHBondContact O-N 3.19Å; S380-K384 WeakPolarHBondContact O-CB 3.28Å; S380-K384 WeakPolarHBondContact O-CD 3.44Å; S380-K384 WeakPolarHBondContact O-CG 3.29Å; S380-K384 PolarHBondContact O-N 3.39Å; S380-K384 WeakPolarHBondContact OG-CE 3.46Å; S380-K384 PolarHBondContact OG-NZ 2.91Å
381I69.1Low67.1Low0 Ų070.2 Ų70.20%039%0.392CS..Hα-helixtrans-57.3-52.3174.3-49.7-161.6000110.5A320 L322 W347 V368 W376 D377 M378 D379 K384 V385A320-I381 HydrophobicContact CB-CD1 4.46Å; L322-I381 HydrophobicContact CD1-CG2 3.62Å; W347-I381 HydrophobicContact CE3-CG2 4.23Å; W347-I381 HydrophobicContact CH2-CB 4Å; W347-I381 HydrophobicContact CH2-CD1 3.31Å; W347-I381 HydrophobicContact CH2-CG1 3.18Å; W347-I381 HydrophobicContact CH2-CG2 4.25Å; W347-I381 HydrophobicContact CZ2-CG1 4.41Å; W347-I381 HydrophobicContact CZ3-CB 3.65Å; W347-I381 HydrophobicContact CZ3-CD1 3.4Å; W347-I381 VanDerWaalsContact CZ3-CD1 3.4Å; W347-I381 HydrophobicContact CZ3-CG1 3.3Å; W347-I381 HydrophobicContact CZ3-CG2 3.4Å; V368-I381 HydrophobicContact CG2-CG2 4.01Å; W376-I381 HydrophobicContact CD2-CD1 4.01Å; W376-I381 HydrophobicContact CE3-CD1 3.65Å; W376-I381 HydrophobicContact CH2-CD1 3.34Å; W376-I381 HydrophobicContact CZ2-CD1 3.73Å; W376-I381 HydrophobicContact CZ3-CD1 3.28Å; D377-I381 WeakPolarHBondContact O-CG1 3.17Å; D377-I381 PolarHBondContact O-N 2.89Å; M378-I381 VanDerWaalsContact O-CB 3.28Å; M378-I381 WeakPolarHBondContact O-CB 3.1Å; M378-I381 PolarHBondContact O-N 2.85Å; M378-I381 VanDerWaalsContact O-N 3.12Å; M378-I381 HydrophobicContact SD-CD1 3.78Å; M378-I381 HydrophobicContact SD-CG1 4.44Å; D379-I381 VanDerWaalsContact C-N 3.32Å; D379-I381 PolarHBondContact O-N 2.96Å; I381-K384 PolarHBondContact O-N 3.1Å; I381-K384 VanDerWaalsContact O-N 3.17Å; I381-V385 HydrophobicContact CG2-CG2 4.26Å; I381-V385 WeakPolarHBondContact O-CB 3.22Å; I381-V385 VanDerWaalsContact O-CG2 3.3Å; I381-V385 WeakPolarHBondContact O-CG2 3.35Å; I381-V385 PolarHBondContact O-N 3.36Å
382I69.2Low67.3Low64 Ų6473.4 Ų73.433%0.32841%0.408SS..Hα-helixtrans-61.7-52.5-175.4-68.8166.4000108.3L322 M378 D379 K384 V385 T386L322-I382 HydrophobicContact CD2-CG1 4.19Å; M378-I382 HydrophobicContact CE-CD1 4.49Å; M378-I382 VanDerWaalsContact O-CG1 3.29Å; M378-I382 WeakPolarHBondContact O-CG1 3.03Å; M378-I382 PolarHBondContact O-N 3.43Å; D379-I382 PolarHBondContact O-N 2.99Å; I382-K384 PolarHBondContact O-N 3.17Å; I382-K384 VanDerWaalsContact O-N 3.1Å; I382-V385 PolarHBondContact O-N 3.28Å; I382-T386 HydrophobicContact CG2-CG2 3.99Å; I382-T386 WeakPolarHBondContact O-CG2 3.43Å; I382-T386 PolarHBondContact O-N 2.88Å; I382-T386 PolarHBondContact O-OG1 3Å
383E70.9Confident67.5Low145 Ų14576.3 Ų76.368%0.67842%0.422SS*.Hα-helixtrans-54.3-33.3176.5-171.8-169.7-17800112.6D379D379-E383 WeakPolarHBondContact O-CB 3.03Å; D379-E383 PolarHBondContact O-N 3Å
384K65.6Low67.8Low75 Ų7575.5 Ų75.533%0.32639%0.386SS..Hα-helixtrans-83-19.2-179.6-75.3163.9179.9169.20113.9R341 S380 I381 I382R341-K384 VanDerWaalsContact CZ-CD 3.43Å; R341-K384 VanDerWaalsContact NH1-CD 3.26Å; R341-K384 VanDerWaalsContact NH1-CG 3.29Å; S380-K384 WeakPolarHBondContact O-CB 3.28Å; S380-K384 WeakPolarHBondContact O-CD 3.44Å; S380-K384 WeakPolarHBondContact O-CG 3.29Å; S380-K384 PolarHBondContact O-N 3.39Å; S380-K384 WeakPolarHBondContact OG-CE 3.46Å; S380-K384 PolarHBondContact OG-NZ 2.91Å; I381-K384 PolarHBondContact O-N 3.1Å; I381-K384 VanDerWaalsContact O-N 3.17Å; I382-K384 PolarHBondContact O-N 3.17Å; I382-K384 VanDerWaalsContact O-N 3.1Å
385V64.1Low68.1Low17 Ų1780.2 Ų80.210%0.10341%0.407CS..Hα-helixtrans-102-32.8-176.9167.60000111.6L322 T324 L328 V366 I381 I382L322-V385 HydrophobicContact CD1-CB 3.88Å; L322-V385 HydrophobicContact CD1-CG1 3.75Å; L322-V385 HydrophobicContact CD1-CG2 3.74Å; T324-V385 HydrophobicContact CG2-CG1 3.88Å; L328-V385 HydrophobicContact CD2-CB 4.28Å; L328-V385 HydrophobicContact CD2-CG1 3.99Å; L328-V385 HydrophobicContact CD2-CG2 4.46Å; L328-V385 VanDerWaalsContact CD2-O 3.3Å; L328-V385 WeakPolarHBondContact CD2-O 3.38Å; V366-V385 HydrophobicContact CB-CG1 4.04Å; V366-V385 HydrophobicContact CG1-CG1 3.78Å; V366-V385 HydrophobicContact CG1-CG2 3.97Å; V366-V385 HydrophobicContact CG2-CG1 4.05Å; I381-V385 HydrophobicContact CG2-CG2 4.26Å; I381-V385 WeakPolarHBondContact O-CB 3.22Å; I381-V385 VanDerWaalsContact O-CG2 3.3Å; I381-V385 WeakPolarHBondContact O-CG2 3.35Å; I381-V385 PolarHBondContact O-N 3.36Å; I382-V385 PolarHBondContact O-N 3.28Å
386T61Low68.4Low151 Ų15173.2 Ų73.293%0.92638%0.377SS*.  trans-80.10170.860.40000111.1I382I382-T386 HydrophobicContact CG2-CG2 3.99Å; I382-T386 WeakPolarHBondContact O-CG2 3.43Å; I382-T386 PolarHBondContact O-N 2.88Å; I382-T386 PolarHBondContact O-OG1 3Å

Retrieved 386 of 386 residues in 386.1 ms (Link to these results)

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