A0A5K4F073_SCHMA Loading...

Mab-21 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F073, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 524 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
1M79.8Confident86.5Confident47 Ų4747.4 Ų47.423%0.23227%0.273CS..  0-72.30-156.81747500114.2S3 F4 V5 I16 F83 F84 L105 F115M1-S3 PolarHBondContact O-N 3.18Å; M1-F4 WeakPolarHBondContact O-CA 3.24Å; M1-F4 WeakPolarHBondContact O-CB 3.27Å; M1-F4 PolarHBondContact O-N 2.93Å; M1-V5 PolarHBondContact O-N 3.46Å; M1-I16 HydrophobicContact CE-CD1 3.29Å; M1-I16 HydrophobicContact CE-CG1 3.69Å; M1-F83 WeakPolarHBondContact CA-O 3.11Å; M1-F83 WeakPolarHBondContact CB-O 3.43Å; M1-F83 PolarHBondContact N-O 3.02Å; M1-F83 VanDerWaalsContact N-O 3.09Å; M1-F84 HydrophobicContact CG-CD1 3.51Å; M1-F84 HydrophobicContact CG-CE1 3.39Å; M1-F84 HydrophobicContact CG-CZ 4.41Å; M1-F84 HydrophobicContact SD-CD1 3.45Å; M1-F84 WeakPolarHBondContact SD-CD1 3.48Å; M1-F84 HydrophobicContact SD-CE1 3.8Å; M1-L105 HydrophobicContact CE-CD1 3.75Å; M1-F115 HydrophobicContact CE-CE2 4.42Å; M1-F115 HydrophobicContact CE-CZ 4.38Å; M1-F115 HydrophobicContact SD-CD2 3.98Å; M1-F115 HydrophobicContact SD-CE2 3.68Å; M1-F115 HydrophobicContact SD-CZ 4.1Å
2L84.3Confident86.7Confident53 Ų5350.4 Ų50.428%0.27729%0.293SS..Hα-helixtrans-60.7-46.5-167-55.4-174.4000113.2F4 V5 E6 C13 I16 L105L2-F4 PolarHBondContact O-N 3.07Å; L2-V5 PolarHBondContact O-N 3.47Å; L2-V5 VanDerWaalsContact O-N 3.12Å; L2-E6 PolarHBondContact O-N 3.23Å; L2-C13 HydrophobicContact CD2-CB 3.85Å; L2-I16 HydrophobicContact CD2-CD1 4.49Å; L2-I16 HydrophobicContact CD2-CG1 4.22Å; L2-L105 HydrophobicContact CD2-CD1 3.72Å
3S84.8Confident86.7Confident94 Ų9447.5 Ų47.566%0.65728%0.277SS*.Hα-helixtrans-59.9-30.3175.9-46.80000113.2M1 Q7M1-S3 PolarHBondContact O-N 3.18Å; S3-Q7 VanDerWaalsContact O-CB 3.29Å; S3-Q7 WeakPolarHBondContact O-CB 3.36Å; S3-Q7 PolarHBondContact O-N 2.92Å
4F85.8Confident86.7Confident16 Ų1651.1 Ų51.17%0.0730%0.3CS..Hα-helixtrans-74.9-41.7176.2177.7-95.1000111.4M1 L2 E6 Q7 E8 F83 F84 I480 I496 L513M1-F4 WeakPolarHBondContact O-CA 3.24Å; M1-F4 WeakPolarHBondContact O-CB 3.27Å; M1-F4 PolarHBondContact O-N 2.93Å; L2-F4 PolarHBondContact O-N 3.07Å; F4-E6 VanDerWaalsContact C-N 3.31Å; F4-E6 PolarHBondContact O-N 2.97Å; F4-Q7 PolarHBondContact O-N 3.47Å; F4-E8 HydrophobicContact CD1-CG 4.27Å; F4-E8 HydrophobicContact CD2-CG 4.29Å; F4-E8 HydrophobicContact CE1-CG 3.74Å; F4-E8 HydrophobicContact CE2-CG 3.78Å; F4-E8 HydrophobicContact CZ-CG 3.47Å; F4-E8 VanDerWaalsContact CZ-CG 3.47Å; F4-E8 WeakPolarHBondContact O-CB 2.97Å; F4-E8 WeakPolarHBondContact O-CG 3.26Å; F4-E8 PolarHBondContact O-N 2.79Å; F4-F83 HydrophobicContact CB-CD1 4.07Å; F4-F83 HydrophobicContact CD1-CD1 4.25Å; F4-F83 AromaticContact CD2-CD1 3.78Å; F4-F83 HydrophobicContact CD2-CD1 3.78Å; F4-F83 AromaticContact CD2-CE1 3.6Å; F4-F83 HydrophobicContact CD2-CE1 3.6Å; F4-F83 HydrophobicContact CE2-CD1 4.3Å; F4-F83 AromaticContact CE2-CE1 3.97Å; F4-F83 HydrophobicContact CE2-CE1 3.97Å; F4-F83 AromaticContact CG-CD1 3.74Å; F4-F83 HydrophobicContact CG-CD1 3.74Å; F4-F83 HydrophobicContact CG-CE1 4.07Å; F4-F84 HydrophobicContact CD1-CZ 4.34Å; F4-I480 HydrophobicContact CE2-CD1 4.35Å; F4-I480 HydrophobicContact CZ-CD1 4.37Å; F4-I496 HydrophobicContact CE1-CD1 3.27Å; F4-I496 HydrophobicContact CZ-CD1 3.34Å; F4-I496 HydrophobicContact CZ-CG1 4.26Å; F4-L513 HydrophobicContact CD1-CD2 4.34Å; F4-L513 HydrophobicContact CE1-CD2 3.98Å
5V86.5Confident86.7Confident0 Ų055.5 Ų55.50%031%0.314CS..Hα-helixtrans-60.7-42.9173.4170.80000110.9M1 L2 E8 F9 V11 L129 I131 L513M1-V5 PolarHBondContact O-N 3.46Å; L2-V5 PolarHBondContact O-N 3.47Å; L2-V5 VanDerWaalsContact O-N 3.12Å; V5-E8 PolarHBondContact O-N 2.81Å; V5-F9 HydrophobicContact CG1-CD2 4.45Å; V5-F9 PolarHBondContact O-N 3.41Å; V5-V11 HydrophobicContact CG1-CG2 3.68Å; V5-L129 HydrophobicContact CG1-CD2 3.43Å; V5-L129 VanDerWaalsContact CG1-CD2 3.43Å; V5-L129 HydrophobicContact CG2-CD2 4.4Å; V5-I131 HydrophobicContact CG2-CD1 3.85Å; V5-L513 HydrophobicContact CG2-CD2 4.34Å
6E88.7Confident86.7Confident93 Ų9355.8 Ų55.844%0.43531%0.313SS..Hα-helixtrans-62.5-45.4175.2-174.8178.1-175.100111.5L2 F4 E8 G10 V11 V12L2-E6 PolarHBondContact O-N 3.23Å; F4-E6 VanDerWaalsContact C-N 3.31Å; F4-E6 PolarHBondContact O-N 2.97Å; E6-E8 PolarHBondContact O-N 3.04Å; E6-G10 WeakPolarHBondContact O-CA 3.47Å; E6-G10 PolarHBondContact O-N 3.39Å; E6-V11 VanDerWaalsContact CA-O 3.29Å; E6-V11 WeakPolarHBondContact CA-O 3.4Å; E6-V11 WeakPolarHBondContact CB-O 3.25Å; E6-V12 HydrophobicContact CG-CG2 4.36Å
7Q88.1Confident86.6Confident117 Ų11754.6 Ų54.655%0.54731%0.308SS..Hα-helixtrans-61-42176.6180177.77.600112.9S3 F4S3-Q7 VanDerWaalsContact O-CB 3.29Å; S3-Q7 WeakPolarHBondContact O-CB 3.36Å; S3-Q7 PolarHBondContact O-N 2.92Å; F4-Q7 PolarHBondContact O-N 3.47Å
8E87.8Confident86.5Confident21 Ų2155 Ų5510%0.09831%0.306CS..Hα-helixtrans-83.2-27.6-173.9-71.6-61.8136.200114.1F4 V5 E6 R482 R494F4-E8 HydrophobicContact CD1-CG 4.27Å; F4-E8 HydrophobicContact CD2-CG 4.29Å; F4-E8 HydrophobicContact CE1-CG 3.74Å; F4-E8 HydrophobicContact CE2-CG 3.78Å; F4-E8 HydrophobicContact CZ-CG 3.47Å; F4-E8 VanDerWaalsContact CZ-CG 3.47Å; F4-E8 WeakPolarHBondContact O-CB 2.97Å; F4-E8 WeakPolarHBondContact O-CG 3.26Å; F4-E8 PolarHBondContact O-N 2.79Å; V5-E8 PolarHBondContact O-N 2.81Å; E6-E8 PolarHBondContact O-N 3.04Å; E8-R482 IonicContact OE1-CZ 3.22Å; E8-R482 IonicContact OE1-NE 2.75Å; E8-R482 IonicContact OE1-NH2 3.58Å; E8-R482 PolarHBondContact OE1-NH2 2.9Å; E8-R482 IonicContact OE2-CZ 3.14Å; E8-R482 IonicContact OE2-NE 3.58Å; E8-R482 PolarHBondContact OE2-NE 2.85Å; E8-R482 IonicContact OE2-NH2 2.73Å; E8-R482 PolarHBondContact OE2-NH2 2.82Å; E8-R494 WeakPolarHBondContact OE2-CD 3.24Å; E8-R494 IonicContact OE2-NE 3.15Å; E8-R494 PolarHBondContact OE2-NE 3.14Å
9F90Very high86.2Confident20 Ų2054 Ų549%0.08830%0.304CS..Hα-helixtrans-127.8-6-174.3-62.8-71.1000115.2V5 V11 R127 L129 R494 L513 M515V5-F9 HydrophobicContact CG1-CD2 4.45Å; V5-F9 PolarHBondContact O-N 3.41Å; F9-V11 VanDerWaalsContact C-N 3.25Å; F9-V11 HydrophobicContact CB-CG2 4.16Å; F9-V11 PolarHBondContact O-N 2.91Å; F9-R127 PolarHBondContact O-NH1 3.07Å; F9-L129 HydrophobicContact CD2-CD1 4.29Å; F9-L129 HydrophobicContact CE2-CD1 3.93Å; F9-L129 HydrophobicContact CZ-CD1 4.39Å; F9-R494 HydrophobicContact CE1-CG 4.09Å; F9-R494 HydrophobicContact CE2-CG 4.15Å; F9-R494 HydrophobicContact CZ-CB 4.43Å; F9-R494 HydrophobicContact CZ-CG 3.55Å; F9-L513 HydrophobicContact CE2-CB 3.76Å; F9-L513 HydrophobicContact CE2-CD2 3.71Å; F9-L513 HydrophobicContact CE2-CG 4.4Å; F9-L513 HydrophobicContact CZ-CB 3.9Å; F9-M515 HydrophobicContact CB-CE 3.56Å; F9-M515 HydrophobicContact CD1-CB 3.72Å; F9-M515 HydrophobicContact CD1-CE 4.05Å; F9-M515 HydrophobicContact CD1-CG 4.22Å; F9-M515 HydrophobicContact CD2-CE 4.03Å; F9-M515 HydrophobicContact CE1-CB 3.57Å; F9-M515 HydrophobicContact CG-CB 4.43Å; F9-M515 HydrophobicContact CG-CE 3.63Å; F9-M515 HydrophobicContact CZ-CB 4.18Å
10G88.4Confident85.1Confident55 Ų5555.8 Ų55.857%0.56732%0.318SS*.  trans62.930.6-177.100000113.3E6E6-G10 WeakPolarHBondContact O-CA 3.47Å; E6-G10 PolarHBondContact O-N 3.39Å
11V87.8Confident83.2Confident5 Ų556.2 Ų56.23%0.0332%0.323CS..  trans-112.9133.3176.2-59.80000110.5V5 E6 F9 F119 M515V5-V11 HydrophobicContact CG1-CG2 3.68Å; E6-V11 VanDerWaalsContact CA-O 3.29Å; E6-V11 WeakPolarHBondContact CA-O 3.4Å; E6-V11 WeakPolarHBondContact CB-O 3.25Å; F9-V11 VanDerWaalsContact C-N 3.25Å; F9-V11 HydrophobicContact CB-CG2 4.16Å; F9-V11 PolarHBondContact O-N 2.91Å; V11-F119 HydrophobicContact CB-CB 4.41Å; V11-F119 HydrophobicContact CB-CD1 3.64Å; V11-F119 HydrophobicContact CB-CD2 4.48Å; V11-F119 HydrophobicContact CB-CE1 3.97Å; V11-F119 HydrophobicContact CB-CG 3.91Å; V11-F119 HydrophobicContact CG1-CB 4.11Å; V11-F119 HydrophobicContact CG1-CD1 4.27Å; V11-F119 HydrophobicContact CG1-CG 4.07Å; V11-F119 HydrophobicContact CG2-CD1 4.01Å; V11-F119 HydrophobicContact CG2-CD2 4.3Å; V11-F119 HydrophobicContact CG2-CE1 3.89Å; V11-F119 HydrophobicContact CG2-CE2 4.22Å; V11-F119 HydrophobicContact CG2-CG 4.2Å; V11-F119 HydrophobicContact CG2-CZ 4.01Å; V11-M515 HydrophobicContact CG1-CE 3.93Å; V11-M515 HydrophobicContact CG2-CE 3.75Å
12V88.6Confident81.1Confident84 Ų8461.2 Ų61.251%0.50935%0.351SS..  trans-96.4122.3179.9-176.70000108.8E6E6-V12 HydrophobicContact CG-CG2 4.36Å
13C86.5Confident78.6Confident13 Ų1361.2 Ų61.29%0.08836%0.364CS..  trans-102.5127175.4176.80000109.7L2 K15 L105 F119L2-C13 HydrophobicContact CD2-CB 3.85Å; C13-K15 PolarHBondContact SG-O 3.32Å; C13-L105 HydrophobicContact CB-CD1 4.26Å; C13-L105 HydrophobicContact CB-CG 4.44Å; C13-L105 VanDerWaalsContact SG-CG 3.57Å; C13-F119 HydrophobicContact CB-CE1 4.15Å; C13-F119 HydrophobicContact CB-CZ 4.28Å
14T86.3Confident76Confident98 Ų9865.9 Ų65.960%0.60138%0.375SS*.  trans-80.1-39.2-176.158.10000112.7N103T14-N103 HydrophobicContact CG2-CB 4.08Å; T14-N103 PolarHBondContact N-O 3.07Å; T14-N103 PolarHBondContact OG1-O 2.96Å
15K87.4Confident73.3Confident117 Ų11771.7 Ų71.751%0.50941%0.405SS..EExtended strand (participates in β ladder)trans-160163.9-179.865-179.9-179.2-179.20112.8C13 V17 V104 L105C13-K15 PolarHBondContact SG-O 3.32Å; K15-V17 HydrophobicContact CD-CG2 4.29Å; K15-V17 HydrophobicContact CG-CG2 4.31Å; K15-V104 HydrophobicContact CG-CG1 4.18Å; K15-V104 HydrophobicContact CG-CG2 4.13Å; K15-L105 PolarHBondContact O-N 3.13Å; K15-L105 VanDerWaalsContact O-N 3.07Å
16I85.8Confident70.5Confident60 Ų6078.5 Ų78.531%0.30844%0.442SS..EExtended strand (participates in β ladder)trans-101.3130169.2-55.4166.5000107.7M1 L2 L105 F115M1-I16 HydrophobicContact CE-CD1 3.29Å; M1-I16 HydrophobicContact CE-CG1 3.69Å; L2-I16 HydrophobicContact CD2-CD1 4.49Å; L2-I16 HydrophobicContact CD2-CG1 4.22Å; I16-L105 CarbonylContact C-O 3.59Å; I16-L105 VanDerWaalsContact CA-O 3.26Å; I16-L105 WeakPolarHBondContact CA-O 3.39Å; I16-F115 HydrophobicContact CG2-CD1 4.25Å; I16-F115 HydrophobicContact CG2-CE1 3.72Å
17V85.3Confident67.6Low36 Ų3678.7 Ų78.722%0.21845%0.453CS..EExtended strand (participates in β ladder)trans-109.1128.5174.11770000108.5K15 L92 V104 L105 Y106 F107K15-V17 HydrophobicContact CD-CG2 4.29Å; K15-V17 HydrophobicContact CG-CG2 4.31Å; V17-L92 HydrophobicContact CG1-CD1 4.24Å; V17-V104 HydrophobicContact CB-CG1 4.09Å; V17-V104 HydrophobicContact CG2-CG1 3.41Å; V17-V104 VanDerWaalsContact CG2-CG1 3.41Å; V17-L105 PolarHBondContact N-O 3.22Å; V17-Y106 HydrophobicContact CB-CD1 3.76Å; V17-Y106 HydrophobicContact CB-CE1 3.88Å; V17-Y106 HydrophobicContact CG1-CD1 3.89Å; V17-Y106 HydrophobicContact CG1-CE1 3.91Å; V17-Y106 HydrophobicContact CG2-CE1 4.21Å; V17-Y106 CarbonylContact O-C 3.51Å; V17-Y106 WeakPolarHBondContact O-CA 3.49Å; V17-F107 PolarHBondContact O-N 2.83Å
18H85.3Confident64.8Low61 Ų6179.9 Ų79.928%0.28246%0.462SS..  trans-138.816717665.887.1000108.1L89 K90 F107H18-L89 HydrophobicContact CB-CB 4.39Å; H18-L89 HydrophobicContact CB-CD2 4.29Å; H18-L89 WeakPolarHBondContact CD2-CD2 3.33Å; H18-K90 WeakPolarHBondContact CB-O 3.36Å; H18-F107 HydrophobicContact CB-CB 4.02Å; H18-F107 HydrophobicContact CB-CD1 4.33Å
19S79.8Confident62.1Low36 Ų3685 Ų8525%0.25250%0.495SS..BIsolated β-bridgetrans-60.5134.6177-1760000109.3C21 K90S19-C21 PolarHBondContact O-N 2.85Å; S19-K90 PolarHBondContact N-O 3.24Å
20P64.1Low59.1Low90 Ų9092.4 Ų92.458%0.58453%0.53SS*.PPolyproline II helixtrans-55.5132.4177.820.2-29.4000109.7D22P20-D22 PolarHBondContact O-N 3.17Å
21C47.1Very low56.2Low64 Ų6497.9 Ų97.943%0.43255%0.546SS..PPolyproline II helixtrans-62130.1160.4-71.20000106.2S19 G23S19-C21 PolarHBondContact O-N 2.85Å; C21-G23 VanDerWaalsContact C-N 3.34Å; C21-G23 VanDerWaalsContact O-CA 3.27Å; C21-G23 WeakPolarHBondContact O-CA 3.44Å; C21-G23 PolarHBondContact O-N 3.07Å
22D34.5Very low53.2Low153 Ų153106.3 Ų106.382%0.81859%0.586SS**SBendtrans-48.7100.9179.8-60.1-69.7000109.4P20 K90P20-D22 PolarHBondContact O-N 3.17Å; D22-K90 IonicContact OD2-NZ 3.21Å; D22-K90 PolarHBondContact OD2-NZ 3.06Å
23G32.8Very low50.3Low53 Ų53108.2 Ų108.255%0.54660%0.602SS.*SBendtrans179.462.7-156.500000106.9C21 I25C21-G23 VanDerWaalsContact C-N 3.34Å; C21-G23 VanDerWaalsContact O-CA 3.27Å; C21-G23 WeakPolarHBondContact O-CA 3.44Å; C21-G23 PolarHBondContact O-N 3.07Å; G23-I25 PolarHBondContact O-N 3.29Å
24Q29.5Very low47.4Very low191 Ų191115.2 Ų115.289%0.89364%0.637SS**  trans13.193.2164.9-73.6174.4-26.700115
25I29.3Very low44.5Very low138 Ų138118 Ų11871%0.70865%0.649SS**  trans-119.293.5151.8-58.8-179.3000106G23 C27G23-I25 PolarHBondContact O-N 3.29Å; I25-C27 WeakPolarHBondContact CG2-SG 3.22Å; I25-C27 PolarHBondContact O-N 2.93Å; I25-C27 VanDerWaalsContact O-N 3.14Å
26N26.6Very low41.7Very low144 Ų144118.5 Ų118.577%0.7767%0.666SS**  trans-56.8106.9152.9-88.21.6000106.5
27C28.6Very low38.9Very low97 Ų97120.1 Ų120.166%0.65568%0.683SS**  trans-117.591.1155-76.90000106.5I25 T29I25-C27 WeakPolarHBondContact CG2-SG 3.22Å; I25-C27 PolarHBondContact O-N 2.93Å; I25-C27 VanDerWaalsContact O-N 3.14Å; C27-T29 PolarHBondContact O-N 2.99Å
28D29.3Very low36.1Very low141 Ų141124.5 Ų124.575%0.75471%0.705SS**  trans-49.2107.5153.7-60.2-48.7000107.3
29T30.8Very low33.3Very low129 Ų129129.2 Ų129.279%0.79173%0.727SS**  trans-131.189.9155.9-15.90000104.7C27C27-T29 PolarHBondContact O-N 2.99Å
30E26.5Very low31Very low176 Ų176137.4 Ų137.482%0.82276%0.759SS**  trans-51.8141.5172.7-68175139.900110.1E32E30-E32 PolarHBondContact O-N 3.08Å; E30-E32 VanDerWaalsContact O-N 3.12Å
31D28.2Very low29.3Very low169 Ų169138.7 Ų138.790%0.90477%0.765SS**  trans-44.2109.1164.2-72.1-56.2000111.2
32E25.8Very low28.3Very low182 Ų182144.6 Ų144.685%0.8579%0.786SS**  trans-134.2135.8154.3-78.9-163.4156.600111E30E30-E32 PolarHBondContact O-N 3.08Å; E30-E32 VanDerWaalsContact O-N 3.12Å
33C26.8Very low27.9Very low125 Ų125143.4 Ų143.485%0.84579%0.785SS**  trans89.457.5174.7-54.80000117.5
34L25Very low27.8Very low160 Ų160145.7 Ų145.784%0.83879%0.792SS**  -53.2149.2126-78159000110.8
35N26.2Very low27.9Very low157 Ų157142 Ų14284%0.8479%0.788SS**  trans90.589.6166.9-55.5-21.4000117.7
36S29Very low27.8Very low126 Ų126145.7 Ų145.788%0.88179%0.793SS**  -137.6115.8120.352.20000109.3
37S25.6Very low28.1Very low95 Ų95144 Ų14466%0.66479%0.791SS**  trans-86.7156.3168.360.30000109.5
38D27Very low28.1Very low128 Ų128144.7 Ų144.768%0.68479%0.788SS**  trans83.1127.9152.1-58.1-42.5000120.6
39H26.7Very low28.1Very low160 Ų160145.8 Ų145.874%0.74179%0.794SS**  trans71.3104.6156-62-54.5000117
40F31.2Very low28.2Very low207 Ų207147.5 Ų147.591%0.90879%0.791SS**  -155.9127.7105.7-101.3-76.2000110.5
41T27.9Very low28.7Very low117 Ų117148.4 Ų148.472%0.71880%0.795SS**  trans-56.1132.4-175.6-20000112.4T43T41-T43 PolarHBondContact O-N 3.49Å; T41-T43 VanDerWaalsContact O-N 3.09Å
42E27Very low29.1Very low189 Ų189142.1 Ų142.188%0.88377%0.77SS**  trans-50.3108.9159.3-67.9174.5143.100109.7
43T26.8Very low29.5Very low127 Ų127136.4 Ų136.478%0.77975%0.745SS**  trans-168.280.8155.614.60000108.8T41T41-T43 PolarHBondContact O-N 3.49Å; T41-T43 VanDerWaalsContact O-N 3.09Å
44S30.7Very low30.1Very low102 Ų102136.7 Ų136.771%0.71375%0.746SS**  trans-140.283.3146.769.80000109.7R46S44-R46 PolarHBondContact O-N 3.42Å
45S30.8Very low30.7Very low114 Ų114133.2 Ų133.280%0.79773%0.727SS**  trans-63.386.415143.60000108.4
46R28.4Very low31.3Very low215 Ų215134 Ų13481%0.81172%0.723SS**  trans170.966.8159-99171-179.2-165.60.5108.5S44S44-R46 PolarHBondContact O-N 3.42Å
47C31.7Very low31.9Very low107 Ų107131.8 Ų131.872%0.72370%0.7SS**  trans-96.490.4150.2-73.60000104.5D49C47-D49 PolarHBondContact O-N 3.37Å
48D29.5Very low32.5Very low112 Ų112134.5 Ų134.560%0.59970%0.703SS**  trans-44.4136.8161.7-68.3-45.1000107.8F50D48-F50 HydrophobicContact CB-CE2 4.4Å; D48-F50 WeakPolarHBondContact O-CD2 3.34Å; D48-F50 PolarHBondContact O-N 3.35Å
49D28.5Very low33.2Very low164 Ų164135.1 Ų135.188%0.87770%0.699SS**  trans-56.185.1178.9-67.4-54.4000110C47 E51C47-D49 PolarHBondContact O-N 3.37Å; D49-E51 PolarHBondContact O-N 3.5Å; D49-E51 VanDerWaalsContact O-N 3.16Å
50F33.8Very low34.1Very low166 Ų166128.8 Ų128.873%0.72867%0.671SS**  trans-73.8108.7174.7-72.3-74.5000107.3D48 G52D48-F50 HydrophobicContact CB-CE2 4.4Å; D48-F50 WeakPolarHBondContact O-CD2 3.34Å; D48-F50 PolarHBondContact O-N 3.35Å; F50-G52 PolarHBondContact O-N 3.12Å
51E35.5Very low34.5Very low195 Ų195120.3 Ų120.391%0.91164%0.639SS**THydrogen-bonded Turntrans-60.429.3177.5-68.6-174.1139.500115.1D49D49-E51 PolarHBondContact O-N 3.5Å; D49-E51 VanDerWaalsContact O-N 3.16Å
52G38Very low34.7Very low36 Ų36118.6 Ų118.637%0.37163%0.625SS.*THydrogen-bonded Turntrans-105.9-14.7-172.700000117.1F50 V489F50-G52 PolarHBondContact O-N 3.12Å; G52-V489 VanDerWaalsContact O-CG1 3.3Å; G52-V489 WeakPolarHBondContact O-CG1 3.43Å
53N33.8Very low35.4Very low62 Ų62111.7 Ų111.733%0.33259%0.594SS.*  trans-167.7112.6170-121.9-38.8000112.1L55 I60N53-L55 PolarHBondContact O-N 2.94Å; N53-L55 VanDerWaalsContact O-N 3.14Å; N53-I60 HydrophobicContact CB-CD1 4.34Å
54P39.9Very low35.8Very low132 Ų132110 Ų11086%0.85759%0.588SS**SBendtrans-76.36.1-179.228.8-33.2000114.6
55L36.9Very low35.8Very low87 Ų87111.3 Ų111.346%0.45559%0.585SS.*SBendtrans-121.7130.8-179-66.2175.8000111N53 K59 I60N53-L55 PolarHBondContact O-N 2.94Å; N53-L55 VanDerWaalsContact O-N 3.14Å; L55-K59 HydrophobicContact CB-CB 4.05Å; L55-K59 HydrophobicContact CD2-CB 4.23Å; L55-K59 HydrophobicContact CD2-CD 3.87Å; L55-I60 HydrophobicContact CB-CG1 3.87Å; L55-I60 VanDerWaalsContact O-CD1 3.3Å; L55-I60 WeakPolarHBondContact O-CD1 3.43Å
56K38.8Very low35.9Very low173 Ų173111.7 Ų111.775%0.75257%0.574SS**  trans-56.8149.2169.7-67.2-174.3176.4-174.70110E58 K59 I60K56-E58 PolarHBondContact O-N 3.47Å; K56-E58 VanDerWaalsContact O-N 3.07Å; K56-K59 WeakPolarHBondContact O-CA 3.33Å; K56-K59 WeakPolarHBondContact O-CB 3.37Å; K56-K59 PolarHBondContact O-N 3.39Å; K56-I60 PolarHBondContact O-N 2.92Å
57I41.7Very low36.1Very low79 Ų79107.3 Ų107.341%0.40558%0.577SS.*Hα-helixtrans-47-41.7-176.9-67.4170.1000112.4K59 I60 A61 W520I57-K59 PolarHBondContact O-N 3Å; I57-I60 PolarHBondContact O-N 3.28Å; I57-A61 PolarHBondContact O-N 3.43Å; I57-A61 VanDerWaalsContact O-N 3.12Å; I57-W520 HydrophobicContact CG2-CE3 4.46Å; I57-W520 HydrophobicContact CG2-CH2 4.14Å; I57-W520 HydrophobicContact CG2-CZ3 3.87Å
58E38.8Very low36Very low152 Ų152106.3 Ų106.371%0.7157%0.571SS**Hα-helixtrans-64.3-24177.4-67.7171.9-177.600113.7K56 N62K56-E58 PolarHBondContact O-N 3.47Å; K56-E58 VanDerWaalsContact O-N 3.07Å; E58-N62 WeakPolarHBondContact O-CA 3.33Å; E58-N62 WeakPolarHBondContact O-CB 3.41Å; E58-N62 PolarHBondContact O-N 3.32Å
59K41.2Very low36.1Very low142 Ų142109.9 Ų109.962%0.61758%0.581SS**Hα-helixtrans-89.4-27.6174-70.4-172178.9-176.10113.3L55 K56 I57 A61L55-K59 HydrophobicContact CB-CB 4.05Å; L55-K59 HydrophobicContact CD2-CB 4.23Å; L55-K59 HydrophobicContact CD2-CD 3.87Å; K56-K59 WeakPolarHBondContact O-CA 3.33Å; K56-K59 WeakPolarHBondContact O-CB 3.37Å; K56-K59 PolarHBondContact O-N 3.39Å; I57-K59 PolarHBondContact O-N 3Å; K59-A61 VanDerWaalsContact C-N 3.27Å
60I45.4Very low36.3Very low27 Ų27108.3 Ų108.314%0.13858%0.578CS.*Hα-helixtrans-69.4-32173.6-61.1173.6000110.3N53 L55 K56 I57 I128 R130N53-I60 HydrophobicContact CB-CD1 4.34Å; L55-I60 HydrophobicContact CB-CG1 3.87Å; L55-I60 VanDerWaalsContact O-CD1 3.3Å; L55-I60 WeakPolarHBondContact O-CD1 3.43Å; K56-I60 PolarHBondContact O-N 2.92Å; I57-I60 PolarHBondContact O-N 3.28Å; I60-I128 HydrophobicContact CG2-CD1 3.72Å; I60-R130 PolarHBondContact O-NH2 3Å
61A39Very low36.2Very low29 Ų29106.9 Ų106.924%0.2458%0.578CS.*SBendtrans-122.122.5-179.900000113.8I57 K59 L63I57-A61 PolarHBondContact O-N 3.43Å; I57-A61 VanDerWaalsContact O-N 3.12Å; K59-A61 VanDerWaalsContact C-N 3.27Å; A61-L63 WeakPolarHBondContact O-CG 3.43Å; A61-L63 PolarHBondContact O-N 3.27Å
62N32.8Very low35.9Very low80 Ų80103.3 Ų103.343%0.42858%0.575SS.*  trans-75.6115.5172.5-136.6-27.1000109.2E58 S64E58-N62 WeakPolarHBondContact O-CA 3.33Å; E58-N62 WeakPolarHBondContact O-CB 3.41Å; E58-N62 PolarHBondContact O-N 3.32Å; N62-S64 PolarHBondContact OD1-OG 3.46Å
63L42Very low35.7Very low45 Ų45110.5 Ų110.524%0.23660%0.598CS.*  trans-101.15.8-174.3-45.5156.8000112A61 K95 Y100 E110 I116A61-L63 WeakPolarHBondContact O-CG 3.43Å; A61-L63 PolarHBondContact O-N 3.27Å; L63-K95 HydrophobicContact CD1-CB 3.96Å; L63-K95 HydrophobicContact CD1-CD 4.22Å; L63-K95 HydrophobicContact CD1-CG 4.07Å; L63-Y100 HydrophobicContact CD1-CE2 3.66Å; L63-Y100 WeakPolarHBondContact CD1-OH 3.47Å; L63-Y100 HydrophobicContact CD2-CE2 4.05Å; L63-Y100 WeakPolarHBondContact CD2-OH 3.43Å; L63-Y100 HydrophobicContact CG-CE2 4.37Å; L63-E110 WeakPolarHBondContact CD2-OE1 3.32Å; L63-I116 HydrophobicContact CD2-CD1 4.25Å
64S35.7Very low35.6Very low91 Ų91116.8 Ų116.864%0.63662%0.623SS**  trans-118.118.8-16656.20000114.8N62N62-S64 PolarHBondContact OD1-OG 3.46Å
65I30.4Very low35.5Very low129 Ų129120 Ų12066%0.66263%0.626SS**SBendtrans-111.5121176.3-49.4179.6000108.7
66E32.6Very low35.8Very low123 Ų123119.3 Ų119.358%0.57563%0.629SS**  trans95.257.6-179.1-61.1176.2160.600116.4S68 K111E66-S68 VanDerWaalsContact C-N 3.32Å; E66-S68 PolarHBondContact O-N 2.92Å; E66-K111 WeakPolarHBondContact OE2-CE 3.42Å; E66-K111 IonicContact OE2-NZ 3.18Å; E66-K111 PolarHBondContact OE2-NZ 2.82Å
67S32.3Very low36.6Very low123 Ų123116.3 Ų116.386%0.8663%0.625SS**  trans-75.881.5149.349.50000110.6
68S30.2Very low37.5Very low85 Ų85116.4 Ų116.459%0.59462%0.622SS**  trans-158.5144.6155.153.90000108.3E66E66-S68 VanDerWaalsContact C-N 3.32Å; E66-S68 PolarHBondContact O-N 2.92Å
69F30.8Very low38.8Very low187 Ų187109.6 Ų109.682%0.8259%0.591SS**  trans87.460.3-168.7-54-76.3000115.6
70T33.1Very low40.2Very low131 Ų131111.2 Ų111.280%0.80459%0.594SS**  trans-99.978.5147.450.50000108.7
71D32Very low42Very low137 Ų137110.2 Ų110.273%0.73359%0.589SS**  trans-75.5123.6155.8-83.1-30.9000107.7Q73D71-Q73 PolarHBondContact O-N 3.23Å
72S28.9Very low43.9Very low120 Ų120115 Ų11584%0.83960%0.601SS**  trans-64.477.6176.946.40000110.6K74S72-K74 PolarHBondContact O-N 3.25Å
73Q33.3Very low46.2Very low186 Ų186113 Ų11387%0.86959%0.588SS**  trans-72.3115.6166.8-74.1-159.5-4.500109D71D71-Q73 PolarHBondContact O-N 3.23Å
74K33.2Very low48Very low195 Ų195110.9 Ų110.985%0.84858%0.577SS**  trans-33.5137.9169.1-69.7175.7175.7177.10110.8S72 S76S72-K74 PolarHBondContact O-N 3.25Å; K74-S76 PolarHBondContact O-N 2.7Å
75E36.4Very low49.9Very low198 Ų198109.6 Ų109.693%0.92556%0.563SS**  trans-58.575.3167.9-73.1-179.1150.300110.3V77E75-V77 PolarHBondContact O-N 2.91Å
76S43.2Very low52Low73 Ų73104.1 Ų104.151%0.5153%0.534SS..  trans-69.9125.2157.788.40000105K74 K78 K502K74-S76 PolarHBondContact O-N 2.7Å; S76-K78 PolarHBondContact O-N 2.97Å; S76-K502 PolarHBondContact OG-NZ 3.17Å
77V55.2Low53.8Low110 Ų110104.6 Ų104.667%0.66753%0.531SS*.  trans-53.3108.4176.3-179.50000107.4E75 K502E75-V77 PolarHBondContact O-N 2.91Å; V77-K502 VanDerWaalsContact O-CE 3.25Å; V77-K502 WeakPolarHBondContact O-CE 3.28Å
78K61.6Low55.8Low81 Ų81101.7 Ų101.735%0.35252%0.521SS..  trans-60.1140.1176.2-73.9175.5174.4174.80108S76 E113 F135S76-K78 PolarHBondContact O-N 2.97Å; K78-E113 IonicContact NZ-OE1 3.67Å; K78-E113 PolarHBondContact NZ-OE1 2.84Å; K78-E113 IonicContact NZ-OE2 2.73Å; K78-E113 PolarHBondContact NZ-OE2 2.91Å; K78-F135 HydrophobicContact CD-CD2 4.05Å; K78-F135 HydrophobicContact CD-CE2 3.9Å; K78-F135 HydrophobicContact CG-CD2 4.3Å; K78-F135 HydrophobicContact CG-CE2 4.47Å
79P65.2Low58.2Low10 Ų1099.5 Ų99.57%0.06550%0.502CS..  trans-59.5149.8175.931.1-38.6000110S81 F135 V500 K502P79-S81 PolarHBondContact O-N 3.34Å; P79-F135 HydrophobicContact CG-CB 4.31Å; P79-F135 HydrophobicContact CG-CD1 3.36Å; P79-F135 HydrophobicContact CG-CE1 3.95Å; P79-F135 HydrophobicContact CG-CG 4.13Å; P79-V500 HydrophobicContact CB-CB 4.04Å; P79-V500 HydrophobicContact CB-CG2 3.54Å; P79-V500 HydrophobicContact CG-CG2 3.69Å; P79-K502 HydrophobicContact CB-CB 4Å; P79-K502 HydrophobicContact CB-CG 4.23Å
80R72.1Confident60.7Low176 Ų17694.5 Ų94.566%0.66448%0.48SS*.  trans-78.7105.5-179.6-172.8179.1-177.3175.3-0.6109.9
81S82.1Confident63.2Low5 Ų589.2 Ų89.24%0.03545%0.448CS..  trans-70.7142.9165.2168.50000110.3P79 F83 F84 E498 H511P79-S81 PolarHBondContact O-N 3.34Å; S81-F83 VanDerWaalsContact C-N 3.3Å; S81-F83 PolarHBondContact OG-N 3.38Å; S81-F84 WeakPolarHBondContact CB-O 3.41Å; S81-F84 PolarHBondContact OG-N 3.4Å; S81-E498 WeakPolarHBondContact CA-OE2 3.32Å; S81-E498 VanDerWaalsContact CB-OE2 3.26Å; S81-E498 WeakPolarHBondContact CB-OE2 3.3Å; S81-E498 PolarHBondContact OG-OE2 3.39Å; S81-H511 PolarHBondContact OG-CE1 3.22Å; S81-H511 PolarHBondContact OG-NE2 2.74Å; S81-H511 VanDerWaalsContact OG-NE2 3.17Å
82R79.5Confident65.6Low131 Ų13184.1 Ų84.149%0.49442%0.42SS..SBendtrans-73.9-25.5170.8-64.5174-72.9-174.2-6.6111.7D477 E498R82-D477 PolarHBondContact NH2-O 2.92Å; R82-D477 VanDerWaalsContact NH2-O 3.09Å; R82-E498 WeakPolarHBondContact CB-OE1 3.34Å; R82-E498 WeakPolarHBondContact CG-OE1 3.48Å; R82-E498 IonicContact CZ-OE1 3.47Å; R82-E498 PolarHBondContact N-OE1 3.17Å; R82-E498 PolarHBondContact N-OE2 2.74Å; R82-E498 IonicContact NE-OE1 3.5Å; R82-E498 PolarHBondContact NE-OE1 3.26Å; R82-E498 IonicContact NH2-OE1 2.86Å
83F81.2Confident68Low36 Ų3687 Ų8716%0.15842%0.42CS..SBendtrans-95.1-45.5-174.4-59.9-75.7000112.6M1 F4 S81 L478 E498M1-F83 WeakPolarHBondContact CA-O 3.11Å; M1-F83 WeakPolarHBondContact CB-O 3.43Å; M1-F83 PolarHBondContact N-O 3.02Å; M1-F83 VanDerWaalsContact N-O 3.09Å; F4-F83 HydrophobicContact CB-CD1 4.07Å; F4-F83 HydrophobicContact CD1-CD1 4.25Å; F4-F83 AromaticContact CD2-CD1 3.78Å; F4-F83 HydrophobicContact CD2-CD1 3.78Å; F4-F83 AromaticContact CD2-CE1 3.6Å; F4-F83 HydrophobicContact CD2-CE1 3.6Å; F4-F83 HydrophobicContact CE2-CD1 4.3Å; F4-F83 AromaticContact CE2-CE1 3.97Å; F4-F83 HydrophobicContact CE2-CE1 3.97Å; F4-F83 AromaticContact CG-CD1 3.74Å; F4-F83 HydrophobicContact CG-CD1 3.74Å; F4-F83 HydrophobicContact CG-CE1 4.07Å; S81-F83 VanDerWaalsContact C-N 3.3Å; S81-F83 PolarHBondContact OG-N 3.38Å; F83-L478 HydrophobicContact CD2-CD1 4.45Å; F83-L478 HydrophobicContact CE2-CD1 3.51Å; F83-L478 HydrophobicContact CE2-CD2 4.23Å; F83-L478 HydrophobicContact CE2-CG 4.5Å; F83-L478 HydrophobicContact CZ-CD1 3.95Å; F83-L478 HydrophobicContact CZ-CD2 3.79Å; F83-E498 HydrophobicContact CD2-CG 4.33Å; F83-E498 WeakPolarHBondContact CD2-OE2 3.35Å; F83-E498 HydrophobicContact CE2-CG 4.22Å
84F79.7Confident70.2Confident1 Ų184.3 Ų84.30%0.00441%0.412CS..  trans-129.593.1-169.8-56.8-79.8000111.1M1 F4 S81 F86 I131 H511 L513M1-F84 HydrophobicContact CG-CD1 3.51Å; M1-F84 HydrophobicContact CG-CE1 3.39Å; M1-F84 HydrophobicContact CG-CZ 4.41Å; M1-F84 HydrophobicContact SD-CD1 3.45Å; M1-F84 WeakPolarHBondContact SD-CD1 3.48Å; M1-F84 HydrophobicContact SD-CE1 3.8Å; F4-F84 HydrophobicContact CD1-CZ 4.34Å; S81-F84 WeakPolarHBondContact CB-O 3.41Å; S81-F84 PolarHBondContact OG-N 3.4Å; F84-F86 HydrophobicContact CB-CE2 3.87Å; F84-F86 HydrophobicContact CB-CZ 4.15Å; F84-I131 HydrophobicContact CD1-CG2 3.8Å; F84-I131 HydrophobicContact CE1-CD1 3.84Å; F84-I131 HydrophobicContact CE1-CG2 3.46Å; F84-I131 VanDerWaalsContact CE1-CG2 3.46Å; F84-I131 HydrophobicContact CZ-CG2 3.9Å; F84-H511 HydrophobicContact CD2-CB 3.75Å; F84-H511 AromaticContact CD2-CD2 3.88Å; F84-H511 AromaticContact CD2-CE1 3.77Å; F84-H511 AromaticContact CD2-CG 3.36Å; F84-H511 AromaticContact CD2-ND1 3.3Å; F84-H511 VanDerWaalsContact CD2-ND1 3.3Å; F84-H511 WeakPolarHBondContact CD2-ND1 3.44Å; F84-H511 HydrophobicContact CE2-CB 3.65Å; F84-H511 AromaticContact CE2-CG 3.74Å; F84-H511 AromaticContact CG-ND1 3.95Å; F84-L513 HydrophobicContact CE2-CD1 4.04Å; F84-L513 HydrophobicContact CZ-CD1 3.78Å; F84-L513 HydrophobicContact CZ-CD2 4.03Å; F84-L513 HydrophobicContact CZ-CG 4.19Å
85D74.6Confident72.2Confident64 Ų6480.7 Ų80.734%0.34240%0.396SS..  trans-94.9113.8173.1-163.5-8.6000109.6R87D85-R87 VanDerWaalsContact OD1-CB 3.28Å; D85-R87 WeakPolarHBondContact OD1-CB 3.35Å; D85-R87 VanDerWaalsContact OD1-CG 3.3Å; D85-R87 WeakPolarHBondContact OD1-CG 3.4Å; D85-R87 IonicContact OD1-CZ 2.64Å; D85-R87 PolarHBondContact OD1-N 3.15Å; D85-R87 IonicContact OD1-NE 3.62Å; D85-R87 PolarHBondContact OD1-NE 3.09Å; D85-R87 IonicContact OD1-NH2 2.74Å; D85-R87 IonicContact OD2-CZ 3.11Å; D85-R87 IonicContact OD2-NE 3.76Å; D85-R87 PolarHBondContact OD2-NE 2.95Å; D85-R87 IonicContact OD2-NH2 2.59Å; D85-R87 PolarHBondContact OD2-NH2 3.43Å
86F74.7Confident74.2Confident14 Ų1472.7 Ų72.76%0.06136%0.361CS..  trans-90.6-5.3178.1-61.8-84.1000112.8F84 G88 L89 F107 E113 F115 S133 F135F84-F86 HydrophobicContact CB-CE2 3.87Å; F84-F86 HydrophobicContact CB-CZ 4.15Å; F86-G88 PolarHBondContact O-N 3.18Å; F86-L89 PolarHBondContact O-N 3.34Å; F86-F107 HydrophobicContact CD1-CD2 4.14Å; F86-F107 AromaticContact CD1-CE2 3.44Å; F86-F107 HydrophobicContact CD1-CE2 3.44Å; F86-F107 VanDerWaalsContact CD1-CE2 3.44Å; F86-F107 AromaticContact CD1-CZ 3.9Å; F86-F107 HydrophobicContact CD1-CZ 3.9Å; F86-F107 HydrophobicContact CE1-CD2 4.34Å; F86-F107 AromaticContact CE1-CE2 3.82Å; F86-F107 HydrophobicContact CE1-CE2 3.82Å; F86-E113 WeakPolarHBondContact CB-OE2 3.24Å; F86-E113 HydrophobicContact CD1-CB 4.21Å; F86-E113 HydrophobicContact CE1-CB 4.17Å; F86-E113 WeakPolarHBondContact CG-OE2 3.46Å; F86-F115 AromaticContact CD1-CE2 3.79Å; F86-F115 HydrophobicContact CD1-CE2 3.79Å; F86-F115 AromaticContact CD1-CZ 3.94Å; F86-F115 HydrophobicContact CD1-CZ 3.94Å; F86-F115 AromaticContact CE1-CD2 3.83Å; F86-F115 HydrophobicContact CE1-CD2 3.83Å; F86-F115 AromaticContact CE1-CE2 3.2Å; F86-F115 HydrophobicContact CE1-CE2 3.2Å; F86-F115 AromaticContact CE1-CZ 3.82Å; F86-F115 HydrophobicContact CE1-CZ 3.82Å; F86-F115 HydrophobicContact CZ-CD2 4.37Å; F86-F115 AromaticContact CZ-CE2 3.85Å; F86-F115 HydrophobicContact CZ-CE2 3.85Å; F86-S133 WeakPolarHBondContact CE2-OG 3.49Å; F86-S133 WeakPolarHBondContact CZ-OG 3.25Å; F86-F135 HydrophobicContact CD2-CE2 4.28Å; F86-F135 HydrophobicContact CD2-CZ 4.19Å; F86-F135 HydrophobicContact CE2-CE2 4.33Å; F86-F135 HydrophobicContact CE2-CZ 4.24Å
87R71.1Confident75.7Confident134 Ų13478 Ų7851%0.50638%0.384SS..THydrogen-bonded Turntrans-64.6135.7-175.8-67.5178.1-65.7164.56110.9D85 L89D85-R87 VanDerWaalsContact OD1-CB 3.28Å; D85-R87 WeakPolarHBondContact OD1-CB 3.35Å; D85-R87 VanDerWaalsContact OD1-CG 3.3Å; D85-R87 WeakPolarHBondContact OD1-CG 3.4Å; D85-R87 IonicContact OD1-CZ 2.64Å; D85-R87 PolarHBondContact OD1-N 3.15Å; D85-R87 IonicContact OD1-NE 3.62Å; D85-R87 PolarHBondContact OD1-NE 3.09Å; D85-R87 IonicContact OD1-NH2 2.74Å; D85-R87 IonicContact OD2-CZ 3.11Å; D85-R87 IonicContact OD2-NE 3.76Å; D85-R87 PolarHBondContact OD2-NE 2.95Å; D85-R87 IonicContact OD2-NH2 2.59Å; D85-R87 PolarHBondContact OD2-NH2 3.43Å; R87-L89 PolarHBondContact O-N 3.35Å
88G73.2Confident76.7Confident62 Ų6277.3 Ų77.364%0.63940%0.398SS*.THydrogen-bonded Turntrans77.1-4.2-179.500000114.8F86F86-G88 PolarHBondContact O-N 3.18Å
89L81.2Confident77.6Confident39 Ų3974 Ų7420%0.20439%0.387CS..PPolyproline II helixtrans-88.2132.7172.8-55.1179.7000109.6H18 F86 R87 F107 F115H18-L89 HydrophobicContact CB-CB 4.39Å; H18-L89 HydrophobicContact CB-CD2 4.29Å; H18-L89 WeakPolarHBondContact CD2-CD2 3.33Å; F86-L89 PolarHBondContact O-N 3.34Å; R87-L89 PolarHBondContact O-N 3.35Å; L89-F107 HydrophobicContact CB-CD1 3.53Å; L89-F107 HydrophobicContact CB-CE1 3.64Å; L89-F107 HydrophobicContact CB-CG 4.31Å; L89-F107 WeakPolarHBondContact O-CE1 3.24Å; L89-F115 HydrophobicContact CD1-CE1 3.89Å; L89-F115 HydrophobicContact CD1-CZ 3.62Å
90K83.1Confident78.5Confident81 Ų8175 Ų7535%0.35239%0.39SS..BIsolated β-bridgetrans-101126.2167.6-70.6-172.7-178.2-174.90109.1H18 S19 D22 F107H18-K90 WeakPolarHBondContact CB-O 3.36Å; S19-K90 PolarHBondContact N-O 3.24Å; D22-K90 IonicContact OD2-NZ 3.21Å; D22-K90 PolarHBondContact OD2-NZ 3.06Å; K90-F107 VanDerWaalsContact C-CD1 3.47Å
91P84.7Confident79.2Confident20 Ų2071.6 Ų71.613%0.1338%0.383CS..PPolyproline II helixtrans-62.5145.5178.127.8-33.2000110E93 F107 R109P91-E93 PolarHBondContact O-N 2.73Å; P91-F107 HydrophobicContact CB-CD1 4Å; P91-F107 HydrophobicContact CB-CE1 3.88Å; P91-F107 HydrophobicContact CB-CZ 4.34Å; P91-F107 HydrophobicContact CG-CE1 4.28Å; P91-F107 VanDerWaalsContact N-CD1 3.34Å; P91-F107 VanDerWaalsContact N-CE1 3.32Å; P91-R109 HydrophobicContact CB-CB 3.75Å; P91-R109 HydrophobicContact CG-CB 3.99Å
92L83.4Confident79.5Confident30 Ų3073.7 Ų73.716%0.15739%0.394CS..BIsolated β-bridgetrans-67125.2167.7-64.4167000108.3V17 P96 Y106 F107 V108V17-L92 HydrophobicContact CG1-CD1 4.24Å; L92-P96 HydrophobicContact CD1-CG 4.29Å; L92-Y106 HydrophobicContact CD1-CD1 3.67Å; L92-Y106 HydrophobicContact CD1-CG 4.41Å; L92-F107 PolarHBondContact N-O 2.83Å; L92-V108 HydrophobicContact CB-CG1 4.37Å
93E80.1Confident80.1Confident180 Ų18069.9 Ų69.984%0.84138%0.384SS*.SBendtrans-76.1-29.6175.3-62.2-173.6165.800111.6P91P91-E93 PolarHBondContact O-N 2.73Å
94N78.4Confident80.5Confident130 Ų13068.4 Ų68.470%0.69538%0.378SS*.SBendtrans-128.4158-176.6-65.6-54.3000111.2
95K75.3Confident81Confident119 Ų11968.3 Ų68.352%0.51738%0.377SS..PPolyproline II helixtrans-56.9138.6169.6-172.7177174.2-179.60109.5L63 Y100L63-K95 HydrophobicContact CD1-CB 3.96Å; L63-K95 HydrophobicContact CD1-CD 4.22Å; L63-K95 HydrophobicContact CD1-CG 4.07Å; K95-Y100 HydrophobicContact CG-CE2 4.47Å
96P78Confident81.7Confident30 Ų3065.5 Ų65.520%0.19536%0.362CS..PPolyproline II helixtrans-56.3143.4175-19.327.3000111.9L92 G98 G99 Y100 Y106L92-P96 HydrophobicContact CD1-CG 4.29Å; P96-G98 PolarHBondContact O-N 3.01Å; P96-G99 WeakPolarHBondContact O-CA 3.37Å; P96-G99 PolarHBondContact O-N 3.29Å; P96-Y100 HydrophobicContact CG-CD1 4.14Å; P96-Y100 HydrophobicContact CG-CE1 4.18Å; P96-Y106 HydrophobicContact CB-CE1 4.21Å; P96-Y106 HydrophobicContact CG-CD1 3.62Å; P96-Y106 HydrophobicContact CG-CE1 3.35Å
97L75.8Confident82.4Confident186 Ų18664.9 Ų64.997%0.97436%0.359SS*.THydrogen-bonded Turntrans-56128.7167.4-75.4146.7000109G99L97-G99 VanDerWaalsContact C-N 3.28Å; L97-G99 PolarHBondContact O-N 3.25Å
98G76.5Confident83.2Confident95 Ų9558.9 Ų58.998%0.97934%0.338SS*.THydrogen-bonded Turntrans82-4.7-172.800000115.4P96P96-G98 PolarHBondContact O-N 3.01Å
99G80.6Confident83.5Confident11 Ų1163.1 Ų63.111%0.11333%0.334CS..  trans84.4-166177.700000114.9P96 L97P96-G99 WeakPolarHBondContact O-CA 3.37Å; P96-G99 PolarHBondContact O-N 3.29Å; L97-G99 VanDerWaalsContact C-N 3.28Å; L97-G99 PolarHBondContact O-N 3.25Å
100Y84Confident82.7Confident31 Ų3163.8 Ų63.812%0.12234%0.336CS..PPolyproline II helixtrans-83.5123.2-176.4-66.2-61000110.7L63 K95 P96 Y106 L118L63-Y100 HydrophobicContact CD1-CE2 3.66Å; L63-Y100 WeakPolarHBondContact CD1-OH 3.47Å; L63-Y100 HydrophobicContact CD2-CE2 4.05Å; L63-Y100 WeakPolarHBondContact CD2-OH 3.43Å; L63-Y100 HydrophobicContact CG-CE2 4.37Å; K95-Y100 HydrophobicContact CG-CE2 4.47Å; P96-Y100 HydrophobicContact CG-CD1 4.14Å; P96-Y100 HydrophobicContact CG-CE1 4.18Å; Y100-Y106 HydrophobicContact CD1-CD1 4.01Å; Y100-Y106 AromaticContact CD1-CD2 3.39Å; Y100-Y106 HydrophobicContact CD1-CD2 3.39Å; Y100-Y106 HydrophobicContact CD1-CE1 4.15Å; Y100-Y106 AromaticContact CD1-CE2 3.55Å; Y100-Y106 HydrophobicContact CD1-CE2 3.55Å; Y100-Y106 AromaticContact CD1-CG 3.63Å; Y100-Y106 HydrophobicContact CD1-CG 3.63Å; Y100-Y106 AromaticContact CD1-CZ 3.92Å; Y100-Y106 HydrophobicContact CE1-CD1 4.13Å; Y100-Y106 AromaticContact CE1-CD2 3.92Å; Y100-Y106 HydrophobicContact CE1-CD2 3.92Å; Y100-Y106 HydrophobicContact CE1-CE2 4.46Å; Y100-Y106 AromaticContact CE1-CG 3.72Å; Y100-Y106 HydrophobicContact CE1-CG 3.72Å; Y100-Y106 HydrophobicContact CG-CD2 4.38Å; Y100-Y106 HydrophobicContact CG-CE2 4.3Å; Y100-L118 HydrophobicContact CG-CD1 4.5Å
101I86.7Confident81.8Confident104 Ų10467.8 Ų67.853%0.53335%0.354SS..PPolyproline II helixtrans-83.7145.1177.5-56.2171.8000109V104 Y106I101-V104 HydrophobicContact CB-CG2 4.25Å; I101-V104 HydrophobicContact CG2-CG2 4.29Å; I101-Y106 WeakPolarHBondContact CB-OH 3.31Å; I101-Y106 WeakPolarHBondContact CG1-OH 3.33Å; I101-Y106 PolarHBondContact N-OH 3.08Å
102D88.6Confident81.3Confident49 Ų4968.7 Ų68.726%0.26237%0.367SS..BIsolated β-bridgetrans-63.9146.2176.4-76.8-4.9000112.1V104 L118 P120 K126D102-V104 PolarHBondContact O-N 3.34Å; D102-L118 CarbonylContact C-O 3.57Å; D102-L118 WeakPolarHBondContact CA-O 3.5Å; D102-P120 HydrophobicContact CB-CG 4.41Å; D102-K126 VanDerWaalsContact OD1-CE 3.23Å; D102-K126 WeakPolarHBondContact OD1-CE 3.43Å; D102-K126 IonicContact OD1-NZ 2.73Å; D102-K126 PolarHBondContact OD1-NZ 3.49Å; D102-K126 WeakPolarHBondContact OD2-CE 3.37Å; D102-K126 IonicContact OD2-NZ 3.61Å; D102-K126 PolarHBondContact OD2-NZ 3.05Å
103N90.9Very high81Confident52 Ų5269.3 Ų69.328%0.27837%0.369SS..THydrogen-bonded Turntrans6127179.3-52.5-47.9000114.5T14 L118 F119 P120T14-N103 HydrophobicContact CG2-CB 4.08Å; T14-N103 PolarHBondContact N-O 3.07Å; T14-N103 PolarHBondContact OG1-O 2.96Å; N103-L118 PolarHBondContact N-O 3.28Å; N103-F119 WeakPolarHBondContact OD1-CD1 3.4Å; N103-P120 VanDerWaalsContact OD1-CD 3.28Å; N103-P120 WeakPolarHBondContact OD1-CD 3.3Å
104V90Very high81.3Confident4 Ų461.5 Ų61.52%0.02433%0.332CS..EExtended strand (participates in β ladder)trans-122.4138.3176.8177.60000109.9K15 V17 I101 D102 Y106 G117K15-V104 HydrophobicContact CG-CG1 4.18Å; K15-V104 HydrophobicContact CG-CG2 4.13Å; V17-V104 HydrophobicContact CB-CG1 4.09Å; V17-V104 HydrophobicContact CG2-CG1 3.41Å; V17-V104 VanDerWaalsContact CG2-CG1 3.41Å; I101-V104 HydrophobicContact CB-CG2 4.25Å; I101-V104 HydrophobicContact CG2-CG2 4.29Å; D102-V104 PolarHBondContact O-N 3.34Å; V104-Y106 HydrophobicContact CB-CD2 4.44Å; V104-Y106 HydrophobicContact CB-CE2 3.71Å; V104-Y106 HydrophobicContact CG1-CD2 4.05Å; V104-Y106 HydrophobicContact CG1-CE1 4.14Å; V104-Y106 HydrophobicContact CG1-CE2 3.55Å; V104-G117 VanDerWaalsContact O-CA 3.24Å; V104-G117 WeakPolarHBondContact O-CA 3.31Å
105L90.2Very high81.9Confident0 Ų055.4 Ų55.40%030%0.299CS..EExtended strand (participates in β ladder)trans-100.4123.4171.8-76.8172.3000110.6M1 L2 C13 K15 I16 V17 F115 I116 F119 L129M1-L105 HydrophobicContact CE-CD1 3.75Å; L2-L105 HydrophobicContact CD2-CD1 3.72Å; C13-L105 HydrophobicContact CB-CD1 4.26Å; C13-L105 HydrophobicContact CB-CG 4.44Å; C13-L105 VanDerWaalsContact SG-CG 3.57Å; K15-L105 PolarHBondContact O-N 3.13Å; K15-L105 VanDerWaalsContact O-N 3.07Å; I16-L105 CarbonylContact C-O 3.59Å; I16-L105 VanDerWaalsContact CA-O 3.26Å; I16-L105 WeakPolarHBondContact CA-O 3.39Å; V17-L105 PolarHBondContact N-O 3.22Å; L105-F115 HydrophobicContact CD2-CB 4.25Å; L105-I116 CarbonylContact C-O 3.55Å; L105-F119 HydrophobicContact CD2-CZ 4.38Å; L105-F119 HydrophobicContact CG-CZ 4.49Å; L105-L129 HydrophobicContact CD2-CD2 4.17Å
106Y89.8Confident82.6Confident5 Ų550 Ų502%0.0228%0.277CS..EExtended strand (participates in β ladder)trans-103.1126.3-179.1-65.9-91.1000110.1V17 L92 P96 Y100 I101 V104 F115 I116V17-Y106 HydrophobicContact CB-CD1 3.76Å; V17-Y106 HydrophobicContact CB-CE1 3.88Å; V17-Y106 HydrophobicContact CG1-CD1 3.89Å; V17-Y106 HydrophobicContact CG1-CE1 3.91Å; V17-Y106 HydrophobicContact CG2-CE1 4.21Å; V17-Y106 CarbonylContact O-C 3.51Å; V17-Y106 WeakPolarHBondContact O-CA 3.49Å; L92-Y106 HydrophobicContact CD1-CD1 3.67Å; L92-Y106 HydrophobicContact CD1-CG 4.41Å; P96-Y106 HydrophobicContact CB-CE1 4.21Å; P96-Y106 HydrophobicContact CG-CD1 3.62Å; P96-Y106 HydrophobicContact CG-CE1 3.35Å; Y100-Y106 HydrophobicContact CD1-CD1 4.01Å; Y100-Y106 AromaticContact CD1-CD2 3.39Å; Y100-Y106 HydrophobicContact CD1-CD2 3.39Å; Y100-Y106 HydrophobicContact CD1-CE1 4.15Å; Y100-Y106 AromaticContact CD1-CE2 3.55Å; Y100-Y106 HydrophobicContact CD1-CE2 3.55Å; Y100-Y106 AromaticContact CD1-CG 3.63Å; Y100-Y106 HydrophobicContact CD1-CG 3.63Å; Y100-Y106 AromaticContact CD1-CZ 3.92Å; Y100-Y106 HydrophobicContact CE1-CD1 4.13Å; Y100-Y106 AromaticContact CE1-CD2 3.92Å; Y100-Y106 HydrophobicContact CE1-CD2 3.92Å; Y100-Y106 HydrophobicContact CE1-CE2 4.46Å; Y100-Y106 AromaticContact CE1-CG 3.72Å; Y100-Y106 HydrophobicContact CE1-CG 3.72Å; Y100-Y106 HydrophobicContact CG-CD2 4.38Å; Y100-Y106 HydrophobicContact CG-CE2 4.3Å; I101-Y106 WeakPolarHBondContact CB-OH 3.31Å; I101-Y106 WeakPolarHBondContact CG1-OH 3.33Å; I101-Y106 PolarHBondContact N-OH 3.08Å; V104-Y106 HydrophobicContact CB-CD2 4.44Å; V104-Y106 HydrophobicContact CB-CE2 3.71Å; V104-Y106 HydrophobicContact CG1-CD2 4.05Å; V104-Y106 HydrophobicContact CG1-CE1 4.14Å; V104-Y106 HydrophobicContact CG1-CE2 3.55Å; Y106-F115 CarbonylContact O-C 3.5Å; Y106-F115 VanDerWaalsContact O-CA 3.23Å; Y106-F115 WeakPolarHBondContact O-CA 3.43Å; Y106-I116 PolarHBondContact N-O 3.22Å; Y106-I116 PolarHBondContact O-N 3.19Å
107F89.3Confident83.2Confident1 Ų148.6 Ų48.60%0.00427%0.267CS..EExtended strand (participates in β ladder)trans-83.4118.9172.9-175.7-134.9000110.1V17 H18 F86 L89 K90 P91 L92 E113 Q114 F115V17-F107 PolarHBondContact O-N 2.83Å; H18-F107 HydrophobicContact CB-CB 4.02Å; H18-F107 HydrophobicContact CB-CD1 4.33Å; F86-F107 HydrophobicContact CD1-CD2 4.14Å; F86-F107 AromaticContact CD1-CE2 3.44Å; F86-F107 HydrophobicContact CD1-CE2 3.44Å; F86-F107 VanDerWaalsContact CD1-CE2 3.44Å; F86-F107 AromaticContact CD1-CZ 3.9Å; F86-F107 HydrophobicContact CD1-CZ 3.9Å; F86-F107 HydrophobicContact CE1-CD2 4.34Å; F86-F107 AromaticContact CE1-CE2 3.82Å; F86-F107 HydrophobicContact CE1-CE2 3.82Å; L89-F107 HydrophobicContact CB-CD1 3.53Å; L89-F107 HydrophobicContact CB-CE1 3.64Å; L89-F107 HydrophobicContact CB-CG 4.31Å; L89-F107 WeakPolarHBondContact O-CE1 3.24Å; K90-F107 VanDerWaalsContact C-CD1 3.47Å; P91-F107 HydrophobicContact CB-CD1 4Å; P91-F107 HydrophobicContact CB-CE1 3.88Å; P91-F107 HydrophobicContact CB-CZ 4.34Å; P91-F107 HydrophobicContact CG-CE1 4.28Å; P91-F107 VanDerWaalsContact N-CD1 3.34Å; P91-F107 VanDerWaalsContact N-CE1 3.32Å; L92-F107 PolarHBondContact N-O 2.83Å; F107-E113 HydrophobicContact CE2-CB 3.79Å; F107-E113 HydrophobicContact CE2-CG 3.98Å; F107-E113 HydrophobicContact CZ-CB 4.07Å; F107-E113 HydrophobicContact CZ-CG 3.72Å; F107-Q114 WeakPolarHBondContact CD2-O 3.4Å; F107-F115 HydrophobicContact CB-CD1 3.94Å; F107-F115 HydrophobicContact CB-CE1 3.71Å; F107-F115 HydrophobicContact CD2-CD1 4.15Å; F107-F115 AromaticContact CD2-CE1 3.86Å; F107-F115 HydrophobicContact CD2-CE1 3.86Å; F107-F115 HydrophobicContact CD2-CZ 4.13Å; F107-F115 HydrophobicContact CG-CD1 4.47Å; F107-F115 HydrophobicContact CG-CE1 4.04Å
108V87.4Confident83.9Confident8 Ų840.3 Ų40.35%0.04822%0.224CC..EExtended strand (participates in β ladder)trans-134.3162.5-176.3-55.80000110.8L92 E110 Q114 I116L92-V108 HydrophobicContact CB-CG1 4.37Å; V108-E110 HydrophobicContact CG2-CG 4.34Å; V108-Q114 HydrophobicContact CG2-CG 3.41Å; V108-Q114 VanDerWaalsContact CG2-CG 3.41Å; V108-Q114 VanDerWaalsContact CG2-NE2 3.34Å; V108-Q114 PolarHBondContact N-O 2.87Å; V108-Q114 PolarHBondContact O-N 3.26Å; V108-Q114 VanDerWaalsContact O-N 3.09Å; V108-I116 HydrophobicContact CG2-CD1 3.71Å; V108-I116 HydrophobicContact CG2-CG1 3.93Å
109R79.4Confident84.7Confident150 Ų15035.9 Ų35.957%0.56618%0.177SC*.EExtended strand (participates in β ladder)trans-124.981.5178-173.7-175.5-77172.8-3.4110.6P91 G112P91-R109 HydrophobicContact CB-CB 3.75Å; P91-R109 HydrophobicContact CG-CB 3.99Å; R109-G112 WeakPolarHBondContact CA-O 3.48Å
110E65.4Low85.1Confident54 Ų5438 Ų3825%0.25219%0.189SC..SBendtrans-100.9-53.9176.5-59.8165.3-164.600111.8L63 V108 Q114 I116L63-E110 WeakPolarHBondContact CD2-OE1 3.32Å; V108-E110 HydrophobicContact CG2-CG 4.34Å; E110-Q114 VanDerWaalsContact CB-NE2 3.28Å; E110-Q114 VanDerWaalsContact CG-NE2 3.31Å; E110-Q114 PolarHBondContact OE2-NE2 3.44Å; E110-I116 WeakPolarHBondContact OE1-CD1 3.34Å
111K64.4Low85.2Confident164 Ų16443 Ų4371%0.71321%0.208SC*.SBendtrans-126.346.9176.1-62.3-165.1177.3-149.40110.7E66E66-K111 WeakPolarHBondContact OE2-CE 3.42Å; E66-K111 IonicContact OE2-NZ 3.18Å; E66-K111 PolarHBondContact OE2-NZ 2.82Å
112G72.7Confident85.1Confident39 Ų3941.7 Ų41.740%0.40221%0.205SC..SBendtrans102.5-175-167.500000112.8R109 Q114R109-G112 WeakPolarHBondContact CA-O 3.48Å; G112-Q114 PolarHBondContact O-N 3.4Å
113E78.7Confident84.9Confident43 Ų4348.7 Ų48.720%0.20123%0.233CC..EExtended strand (participates in β ladder)trans-70117.6179.1-74.9179.4-170.500110.9K78 F86 F107K78-E113 IonicContact NZ-OE1 3.67Å; K78-E113 PolarHBondContact NZ-OE1 2.84Å; K78-E113 IonicContact NZ-OE2 2.73Å; K78-E113 PolarHBondContact NZ-OE2 2.91Å; F86-E113 WeakPolarHBondContact CB-OE2 3.24Å; F86-E113 HydrophobicContact CD1-CB 4.21Å; F86-E113 HydrophobicContact CE1-CB 4.17Å; F86-E113 WeakPolarHBondContact CG-OE2 3.46Å; F107-E113 HydrophobicContact CE2-CB 3.79Å; F107-E113 HydrophobicContact CE2-CG 3.98Å; F107-E113 HydrophobicContact CZ-CB 4.07Å; F107-E113 HydrophobicContact CZ-CG 3.72Å
114Q86.1Confident84.6Confident17 Ų1748.9 Ų48.98%0.07924%0.236CC..EExtended strand (participates in β ladder)trans-142.8154.5-179.967.1179.4-2.900112.8F107 V108 E110 G112 I131F107-Q114 WeakPolarHBondContact CD2-O 3.4Å; V108-Q114 HydrophobicContact CG2-CG 3.41Å; V108-Q114 VanDerWaalsContact CG2-CG 3.41Å; V108-Q114 VanDerWaalsContact CG2-NE2 3.34Å; V108-Q114 PolarHBondContact N-O 2.87Å; V108-Q114 PolarHBondContact O-N 3.26Å; V108-Q114 VanDerWaalsContact O-N 3.09Å; E110-Q114 VanDerWaalsContact CB-NE2 3.28Å; E110-Q114 VanDerWaalsContact CG-NE2 3.31Å; E110-Q114 PolarHBondContact OE2-NE2 3.44Å; G112-Q114 PolarHBondContact O-N 3.4Å; Q114-I131 CarbonylContact C-O 3.53Å; Q114-I131 WeakPolarHBondContact CA-O 3.22Å; Q114-I131 VanDerWaalsContact CB-O 3.23Å; Q114-I131 WeakPolarHBondContact CB-O 3.31Å
115F89.6Confident84.4Confident1 Ų149.4 Ų49.40%0.00424%0.24CC..EExtended strand (participates in β ladder)trans-103.9140165.5-61.1-80.1000110.8M1 I16 F86 L89 L105 Y106 F107 R130 I131M1-F115 HydrophobicContact CE-CE2 4.42Å; M1-F115 HydrophobicContact CE-CZ 4.38Å; M1-F115 HydrophobicContact SD-CD2 3.98Å; M1-F115 HydrophobicContact SD-CE2 3.68Å; M1-F115 HydrophobicContact SD-CZ 4.1Å; I16-F115 HydrophobicContact CG2-CD1 4.25Å; I16-F115 HydrophobicContact CG2-CE1 3.72Å; F86-F115 AromaticContact CD1-CE2 3.79Å; F86-F115 HydrophobicContact CD1-CE2 3.79Å; F86-F115 AromaticContact CD1-CZ 3.94Å; F86-F115 HydrophobicContact CD1-CZ 3.94Å; F86-F115 AromaticContact CE1-CD2 3.83Å; F86-F115 HydrophobicContact CE1-CD2 3.83Å; F86-F115 AromaticContact CE1-CE2 3.2Å; F86-F115 HydrophobicContact CE1-CE2 3.2Å; F86-F115 AromaticContact CE1-CZ 3.82Å; F86-F115 HydrophobicContact CE1-CZ 3.82Å; F86-F115 HydrophobicContact CZ-CD2 4.37Å; F86-F115 AromaticContact CZ-CE2 3.85Å; F86-F115 HydrophobicContact CZ-CE2 3.85Å; L89-F115 HydrophobicContact CD1-CE1 3.89Å; L89-F115 HydrophobicContact CD1-CZ 3.62Å; L105-F115 HydrophobicContact CD2-CB 4.25Å; Y106-F115 CarbonylContact O-C 3.5Å; Y106-F115 VanDerWaalsContact O-CA 3.23Å; Y106-F115 WeakPolarHBondContact O-CA 3.43Å; F107-F115 HydrophobicContact CB-CD1 3.94Å; F107-F115 HydrophobicContact CB-CE1 3.71Å; F107-F115 HydrophobicContact CD2-CD1 4.15Å; F107-F115 AromaticContact CD2-CE1 3.86Å; F107-F115 HydrophobicContact CD2-CE1 3.86Å; F107-F115 HydrophobicContact CD2-CZ 4.13Å; F107-F115 HydrophobicContact CG-CD1 4.47Å; F107-F115 HydrophobicContact CG-CE1 4.04Å; F115-R130 CarbonylContact O-C 3.52Å; F115-R130 WeakPolarHBondContact O-CA 3.38Å; F115-I131 HydrophobicContact CB-CB 4.11Å; F115-I131 HydrophobicContact CB-CD1 4.44Å; F115-I131 HydrophobicContact CB-CG1 4.38Å; F115-I131 HydrophobicContact CD2-CB 4.4Å; F115-I131 PolarHBondContact N-O 3.26Å; F115-I131 PolarHBondContact O-N 2.95Å
116I90.9Very high84.4Confident7 Ų750.6 Ų50.64%0.03625%0.245CC..EExtended strand (participates in β ladder)trans-125.4135.8172.9-59-177.4000109L63 L105 Y106 V108 E110 L129 R130L63-I116 HydrophobicContact CD2-CD1 4.25Å; L105-I116 CarbonylContact C-O 3.55Å; Y106-I116 PolarHBondContact N-O 3.22Å; Y106-I116 PolarHBondContact O-N 3.19Å; V108-I116 HydrophobicContact CG2-CD1 3.71Å; V108-I116 HydrophobicContact CG2-CG1 3.93Å; E110-I116 WeakPolarHBondContact OE1-CD1 3.34Å; I116-L129 CarbonylContact C-O 3.55Å; I116-L129 VanDerWaalsContact CA-O 3.29Å; I116-L129 WeakPolarHBondContact CA-O 3.37Å; I116-R130 HydrophobicContact CG1-CG 4.36Å
117G90.8Very high84.5Confident0 Ų053.3 Ų53.30%026%0.256CS..EExtended strand (participates in β ladder)trans-142.2151.4173.900000112.8V104 L129V104-G117 VanDerWaalsContact O-CA 3.24Å; V104-G117 WeakPolarHBondContact O-CA 3.31Å; G117-L129 PolarHBondContact N-O 2.95Å; G117-L129 PolarHBondContact O-N 3.39Å
118L91.2Very high84.6Confident12 Ų1254 Ų546%0.06326%0.259CS..EExtended strand (participates in β ladder)trans-110133.5172.3-64.3-179.8000109.2Y100 D102 N103 I128Y100-L118 HydrophobicContact CG-CD1 4.5Å; D102-L118 CarbonylContact C-O 3.57Å; D102-L118 WeakPolarHBondContact CA-O 3.5Å; N103-L118 PolarHBondContact N-O 3.28Å; L118-I128 HydrophobicContact CD2-CB 4.38Å; L118-I128 HydrophobicContact CD2-CD1 4.43Å; L118-I128 HydrophobicContact CD2-CG1 3.77Å; L118-I128 HydrophobicContact CD2-CG2 4.29Å
119F92Very high84.9Confident1 Ų153.6 Ų53.60%0.00426%0.257CS..EExtended strand (participates in β ladder)trans-129.6125.6-179.6-61.8-88.6000109.7V11 C13 N103 L105 K126 R127 L129V11-F119 HydrophobicContact CB-CB 4.41Å; V11-F119 HydrophobicContact CB-CD1 3.64Å; V11-F119 HydrophobicContact CB-CD2 4.48Å; V11-F119 HydrophobicContact CB-CE1 3.97Å; V11-F119 HydrophobicContact CB-CG 3.91Å; V11-F119 HydrophobicContact CG1-CB 4.11Å; V11-F119 HydrophobicContact CG1-CD1 4.27Å; V11-F119 HydrophobicContact CG1-CG 4.07Å; V11-F119 HydrophobicContact CG2-CD1 4.01Å; V11-F119 HydrophobicContact CG2-CD2 4.3Å; V11-F119 HydrophobicContact CG2-CE1 3.89Å; V11-F119 HydrophobicContact CG2-CE2 4.22Å; V11-F119 HydrophobicContact CG2-CG 4.2Å; V11-F119 HydrophobicContact CG2-CZ 4.01Å; C13-F119 HydrophobicContact CB-CE1 4.15Å; C13-F119 HydrophobicContact CB-CZ 4.28Å; N103-F119 WeakPolarHBondContact OD1-CD1 3.4Å; L105-F119 HydrophobicContact CD2-CZ 4.38Å; L105-F119 HydrophobicContact CG-CZ 4.49Å; F119-K126 CarbonylContact O-C 3.54Å; F119-K126 WeakPolarHBondContact O-CA 3.1Å; F119-R127 HydrophobicContact CB-CB 4.38Å; F119-R127 PolarHBondContact N-O 3.09Å; F119-R127 PolarHBondContact O-N 2.95Å; F119-L129 HydrophobicContact CD2-CB 4.17Å; F119-L129 HydrophobicContact CE2-CB 3.71Å; F119-L129 HydrophobicContact CE2-CD2 3.96Å; F119-L129 HydrophobicContact CZ-CD2 4.38Å
120P88.8Confident85.5Confident56 Ų5650.7 Ų50.736%0.36425%0.246SC..EExtended strand (participates in β ladder)trans-65.6140.9178.327.4-30.6000109.7D102 N103D102-P120 HydrophobicContact CB-CG 4.41Å; N103-P120 VanDerWaalsContact OD1-CD 3.28Å; N103-P120 WeakPolarHBondContact OD1-CD 3.3Å
121R85.7Confident86.7Confident135 Ų13548.2 Ų48.251%0.50923%0.234SC..EExtended strand (participates in β ladder)trans-120.1-47.4174.2-176.5-172.1177.2-168.211.9111.3S125 R127 D517R121-S125 PolarHBondContact N-O 3.15Å; R121-R127 HydrophobicContact CB-CG 3.96Å; R121-R127 HydrophobicContact CG-CG 4.47Å; R121-D517 IonicContact CZ-OD2 2.78Å; R121-D517 IonicContact NE-OD2 2.71Å; R121-D517 IonicContact NH1-OD2 3.31Å; R121-D517 PolarHBondContact NH1-OD2 3.38Å; R121-D517 IonicContact NH2-OD2 3.27Å
122T86Confident87.9Confident78 Ų7842.8 Ų42.848%0.47922%0.217SC..EExtended strand (participates in β ladder)trans-140.8178.5173.174.70000108.3T124 S125T122-T124 PolarHBondContact O-N 2.98Å; T122-T124 PolarHBondContact OG1-N 2.9Å; T122-S125 WeakPolarHBondContact CB-OG 3.44Å; T122-S125 WeakPolarHBondContact CG2-OG 3.33Å; T122-S125 PolarHBondContact N-O 3.23Å; T122-S125 PolarHBondContact N-OG 2.86Å; T122-S125 PolarHBondContact O-N 3.38Å; T122-S125 VanDerWaalsContact O-O 3.09Å; T122-S125 WeakPolarHBondContact OG1-CB 3.38Å; T122-S125 PolarHBondContact OG1-N 3Å; T122-S125 VanDerWaalsContact OG1-N 3.17Å; T122-S125 PolarHBondContact OG1-OG 3.4Å
123K82.9Confident88.7Confident196 Ų19642 Ų4285%0.85221%0.205SC*.THydrogen-bonded Turntrans-58.6-26.9175.6-64.8-174.1178.3-175.60113.4
124T84.4Confident89.1Confident56 Ų5645.3 Ų45.334%0.34422%0.22SC..THydrogen-bonded Turntrans-121.513.3-174.954.20000112.7T122 Y519 W520T122-T124 PolarHBondContact O-N 2.98Å; T122-T124 PolarHBondContact OG1-N 2.9Å; T124-Y519 WeakPolarHBondContact O-CD2 3Å; T124-W520 CarbonylContact C-O 3.59Å; T124-W520 WeakPolarHBondContact CA-O 3.45Å; T124-W520 CarbonylContact O-C 3.47Å; T124-W520 PolarHBondContact O-N 2.81Å
125S87.2Confident88.9Confident14 Ų1446 Ų4610%0.09822%0.223CC..EExtended strand (participates in β ladder)trans-146.3140.8179.772.10000112.2R121 T122 S518R121-S125 PolarHBondContact N-O 3.15Å; T122-S125 WeakPolarHBondContact CB-OG 3.44Å; T122-S125 WeakPolarHBondContact CG2-OG 3.33Å; T122-S125 PolarHBondContact N-O 3.23Å; T122-S125 PolarHBondContact N-OG 2.86Å; T122-S125 PolarHBondContact O-N 3.38Å; T122-S125 VanDerWaalsContact O-O 3.09Å; T122-S125 WeakPolarHBondContact OG1-CB 3.38Å; T122-S125 PolarHBondContact OG1-N 3Å; T122-S125 VanDerWaalsContact OG1-N 3.17Å; T122-S125 PolarHBondContact OG1-OG 3.4Å; S125-S518 CarbonylContact C-O 3.5Å; S125-S518 WeakPolarHBondContact CA-O 3.29Å; S125-S518 VanDerWaalsContact CB-O 3.32Å; S125-S518 WeakPolarHBondContact CB-O 3.45Å
126K90.2Very high88.5Confident25 Ų2552.9 Ų52.911%0.10926%0.26CS..EExtended strand (participates in β ladder)trans-123.1160175.7-65-171.2166.7-172.70110.4D102 F119 S518 W520 I523D102-K126 VanDerWaalsContact OD1-CE 3.23Å; D102-K126 WeakPolarHBondContact OD1-CE 3.43Å; D102-K126 IonicContact OD1-NZ 2.73Å; D102-K126 PolarHBondContact OD1-NZ 3.49Å; D102-K126 WeakPolarHBondContact OD2-CE 3.37Å; D102-K126 IonicContact OD2-NZ 3.61Å; D102-K126 PolarHBondContact OD2-NZ 3.05Å; F119-K126 CarbonylContact O-C 3.54Å; F119-K126 WeakPolarHBondContact O-CA 3.1Å; K126-S518 PolarHBondContact N-O 3.05Å; K126-S518 PolarHBondContact O-N 3.47Å; K126-S518 VanDerWaalsContact O-O 3.13Å; K126-W520 HydrophobicContact CD-CD2 4.35Å; K126-W520 HydrophobicContact CG-CG 4.38Å; K126-I523 HydrophobicContact CD-CD1 3.97Å; K126-I523 HydrophobicContact CG-CD1 4.39Å
127R91.3Very high88.2Confident63 Ų6353.8 Ų53.824%0.23827%0.266CS..EExtended strand (participates in β ladder)trans-107.8130.5169.1-41.5-169.7-117.5167.62.5108.2F9 F119 R121 M515 I516 D517F9-R127 PolarHBondContact O-NH1 3.07Å; F119-R127 HydrophobicContact CB-CB 4.38Å; F119-R127 PolarHBondContact N-O 3.09Å; F119-R127 PolarHBondContact O-N 2.95Å; R121-R127 HydrophobicContact CB-CG 3.96Å; R121-R127 HydrophobicContact CG-CG 4.47Å; R127-M515 HydrophobicContact CB-CG 4.1Å; R127-M515 HydrophobicContact CB-SD 3.55Å; R127-M515 VanDerWaalsContact CB-SD 3.55Å; R127-I516 CarbonylContact C-O 3.58Å; R127-I516 WeakPolarHBondContact CA-O 3.14Å; R127-D517 WeakPolarHBondContact CD-OD1 3.44Å; R127-D517 VanDerWaalsContact CG-OD1 3.24Å; R127-D517 WeakPolarHBondContact CG-OD1 3.39Å
128I92Very high87.7Confident15 Ų1557.6 Ų57.68%0.07729%0.286CS..EExtended strand (participates in β ladder)trans-103.9116.7179.4-51.9179.7000107I60 L118 R130 M515 I516 W520I60-I128 HydrophobicContact CG2-CD1 3.72Å; L118-I128 HydrophobicContact CD2-CB 4.38Å; L118-I128 HydrophobicContact CD2-CD1 4.43Å; L118-I128 HydrophobicContact CD2-CG1 3.77Å; L118-I128 HydrophobicContact CD2-CG2 4.29Å; I128-R130 HydrophobicContact CG2-CG 4.49Å; I128-M515 CarbonylContact O-C 3.59Å; I128-M515 VanDerWaalsContact O-CA 3.3Å; I128-M515 WeakPolarHBondContact O-CA 3.39Å; I128-I516 PolarHBondContact N-O 2.9Å; I128-I516 PolarHBondContact O-N 3.34Å; I128-W520 HydrophobicContact CD1-CZ2 4.5Å
129L93.2Very high87.3Confident0 Ų059 Ų590%030%0.295CS..EExtended strand (participates in β ladder)trans-99.3129.4174.4-177.854.6000109.5V5 F9 L105 I116 G117 F119 I131 L513 R514 M515V5-L129 HydrophobicContact CG1-CD2 3.43Å; V5-L129 VanDerWaalsContact CG1-CD2 3.43Å; V5-L129 HydrophobicContact CG2-CD2 4.4Å; F9-L129 HydrophobicContact CD2-CD1 4.29Å; F9-L129 HydrophobicContact CE2-CD1 3.93Å; F9-L129 HydrophobicContact CZ-CD1 4.39Å; L105-L129 HydrophobicContact CD2-CD2 4.17Å; I116-L129 CarbonylContact C-O 3.55Å; I116-L129 VanDerWaalsContact CA-O 3.29Å; I116-L129 WeakPolarHBondContact CA-O 3.37Å; G117-L129 PolarHBondContact N-O 2.95Å; G117-L129 PolarHBondContact O-N 3.39Å; F119-L129 HydrophobicContact CD2-CB 4.17Å; F119-L129 HydrophobicContact CE2-CB 3.71Å; F119-L129 HydrophobicContact CE2-CD2 3.96Å; F119-L129 HydrophobicContact CZ-CD2 4.38Å; L129-I131 HydrophobicContact CD1-CG1 4.16Å; L129-I131 HydrophobicContact CD2-CD1 4.07Å; L129-I131 HydrophobicContact CD2-CG1 4.31Å; L129-I131 HydrophobicContact CG-CD1 4.28Å; L129-I131 HydrophobicContact CG-CG1 3.96Å; L129-L513 HydrophobicContact CD1-CB 4.43Å; L129-R514 CarbonylContact C-O 3.5Å; L129-R514 WeakPolarHBondContact CA-O 3.4Å; L129-M515 HydrophobicContact CB-CE 3.88Å; L129-M515 HydrophobicContact CB-SD 3.8Å; L129-M515 HydrophobicContact CD1-CB 4.48Å; L129-M515 HydrophobicContact CD1-CE 3.89Å; L129-M515 HydrophobicContact CD1-SD 4.35Å; L129-M515 HydrophobicContact CD2-CE 4.05Å; L129-M515 HydrophobicContact CG-CE 4.15Å
130R91.5Very high86.9Confident89 Ų8964.3 Ų64.334%0.33632%0.323SS..EExtended strand (participates in β ladder)trans-121.8134.3168.2-59.5-171.3-177.2-173.10.3109.3I60 F115 I116 I128 L513 R514I60-R130 PolarHBondContact O-NH2 3Å; F115-R130 CarbonylContact O-C 3.52Å; F115-R130 WeakPolarHBondContact O-CA 3.38Å; I116-R130 HydrophobicContact CG1-CG 4.36Å; I128-R130 HydrophobicContact CG2-CG 4.49Å; R130-L513 CarbonylContact O-C 3.6Å; R130-L513 WeakPolarHBondContact O-CA 3.49Å; R130-R514 PolarHBondContact N-O 3.14Å; R130-R514 PolarHBondContact O-N 2.93Å
131I91.5Very high86.6Confident1 Ų165.3 Ų65.31%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-128.5119.1179.6-49.4-175000107.9V5 F84 Q114 F115 L129 K512 L513V5-I131 HydrophobicContact CG2-CD1 3.85Å; F84-I131 HydrophobicContact CD1-CG2 3.8Å; F84-I131 HydrophobicContact CE1-CD1 3.84Å; F84-I131 HydrophobicContact CE1-CG2 3.46Å; F84-I131 VanDerWaalsContact CE1-CG2 3.46Å; F84-I131 HydrophobicContact CZ-CG2 3.9Å; Q114-I131 CarbonylContact C-O 3.53Å; Q114-I131 WeakPolarHBondContact CA-O 3.22Å; Q114-I131 VanDerWaalsContact CB-O 3.23Å; Q114-I131 WeakPolarHBondContact CB-O 3.31Å; F115-I131 HydrophobicContact CB-CB 4.11Å; F115-I131 HydrophobicContact CB-CD1 4.44Å; F115-I131 HydrophobicContact CB-CG1 4.38Å; F115-I131 HydrophobicContact CD2-CB 4.4Å; F115-I131 PolarHBondContact N-O 3.26Å; F115-I131 PolarHBondContact O-N 2.95Å; L129-I131 HydrophobicContact CD1-CG1 4.16Å; L129-I131 HydrophobicContact CD2-CD1 4.07Å; L129-I131 HydrophobicContact CD2-CG1 4.31Å; L129-I131 HydrophobicContact CG-CD1 4.28Å; L129-I131 HydrophobicContact CG-CG1 3.96Å; I131-K512 CarbonylContact C-O 3.59Å; I131-K512 WeakPolarHBondContact CA-O 3.3Å; I131-L513 HydrophobicContact CB-CG 4.43Å; I131-L513 HydrophobicContact CD1-CD2 4.42Å; I131-L513 HydrophobicContact CD1-CG 4.3Å; I131-L513 HydrophobicContact CG1-CG 4.02Å; I131-L513 HydrophobicContact CG2-CD1 4.07Å; I131-L513 HydrophobicContact CG2-CG 4Å
132S89.6Confident86.7Confident50 Ų5059.8 Ų59.835%0.3531%0.306SS..EExtended strand (participates in β ladder)trans-120.8152.7173.461.30000110.2H511 K512S132-H511 CarbonylContact O-C 3.53Å; S132-H511 WeakPolarHBondContact O-CA 3.42Å; S132-K512 PolarHBondContact N-O 3.07Å; S132-K512 PolarHBondContact O-N 2.88Å
133S88Confident86.8Confident22 Ų2256.8 Ų56.815%0.15429%0.287CS..EExtended strand (participates in β ladder)trans-132.7137.1178.2-59.60000111.9F86 C510 H511F86-S133 WeakPolarHBondContact CE2-OG 3.49Å; F86-S133 WeakPolarHBondContact CZ-OG 3.25Å; S133-C510 CarbonylContact C-O 3.53Å; S133-C510 VanDerWaalsContact CA-O 3.3Å; S133-C510 WeakPolarHBondContact CA-O 3.17Å; S133-H511 WeakPolarHBondContact CB-ND1 3.23Å; S133-H511 PolarHBondContact OG-ND1 3.19Å
134E87Confident86.9Confident113 Ų11353.1 Ų53.153%0.52827%0.271SS..EExtended strand (participates in β ladder)trans-124.1134.2176.8-175.6171.4-158.900109.4V137 A509 C510E134-V137 HydrophobicContact CB-CG2 4.25Å; E134-V137 HydrophobicContact CG-CG2 4.12Å; E134-V137 WeakPolarHBondContact O-CG2 3.37Å; E134-A509 CarbonylContact O-C 3.52Å; E134-A509 WeakPolarHBondContact O-CA 3.45Å; E134-C510 PolarHBondContact N-O 2.71Å; E134-C510 PolarHBondContact O-N 3.31Å
135F83Confident87Confident33 Ų3355.9 Ų55.915%0.14528%0.28CS..SBendtrans-112.8-1-174.1-65.6-79.3000113.6K78 P79 F86 Q507 A509K78-F135 HydrophobicContact CD-CD2 4.05Å; K78-F135 HydrophobicContact CD-CE2 3.9Å; K78-F135 HydrophobicContact CG-CD2 4.3Å; K78-F135 HydrophobicContact CG-CE2 4.47Å; P79-F135 HydrophobicContact CG-CB 4.31Å; P79-F135 HydrophobicContact CG-CD1 3.36Å; P79-F135 HydrophobicContact CG-CE1 3.95Å; P79-F135 HydrophobicContact CG-CG 4.13Å; F86-F135 HydrophobicContact CD2-CE2 4.28Å; F86-F135 HydrophobicContact CD2-CZ 4.19Å; F86-F135 HydrophobicContact CE2-CE2 4.33Å; F86-F135 HydrophobicContact CE2-CZ 4.24Å; F135-Q507 PolarHBondContact O-NE2 3.4Å; F135-A509 HydrophobicContact CD1-CB 3.65Å; F135-A509 HydrophobicContact CE1-CB 3.91Å
136N81.3Confident86.9Confident145 Ų14556.6 Ų56.678%0.77528%0.283SS*.SBendtrans-126.277.6174-174.526.5000108.2
137V84.4Confident86.8Confident25 Ų2556 Ų5615%0.15228%0.281CS..  trans-99.9132.3-167.5-167.40000110.3E134 V139 Y497 C510E134-V137 HydrophobicContact CB-CG2 4.25Å; E134-V137 HydrophobicContact CG-CG2 4.12Å; E134-V137 WeakPolarHBondContact O-CG2 3.37Å; V137-V139 PolarHBondContact O-N 3.2Å; V137-Y497 HydrophobicContact CB-CE1 4.38Å; V137-Y497 HydrophobicContact CG1-CD1 4.35Å; V137-Y497 HydrophobicContact CG1-CE1 3.44Å; V137-Y497 VanDerWaalsContact CG1-CE1 3.44Å; V137-C510 HydrophobicContact CB-CB 4.29Å; V137-C510 HydrophobicContact CG1-CB 3.87Å; V137-C510 HydrophobicContact CG2-CB 3.43Å; V137-C510 VanDerWaalsContact CG2-CB 3.43Å
138D80.3Confident86.4Confident81 Ų8157.8 Ų57.843%0.43329%0.292SS..  trans-79.8112.5166.5-175.38.3000110.3N140 H141D138-N140 VanDerWaalsContact C-N 3.28Å; D138-N140 VanDerWaalsContact OD1-CB 3.29Å; D138-N140 WeakPolarHBondContact OD1-CB 3.33Å; D138-N140 PolarHBondContact OD1-N 3.37Å; D138-N140 PolarHBondContact OD1-ND2 3.3Å; D138-H141 PolarHBondContact O-ND1 2.7Å
139V83Confident86Confident41 Ų4159.3 Ų59.325%0.24831%0.312CS..THydrogen-bonded Turntrans-84.91.3179.5-63.40000113.2V137 L184 Y497 Y508V137-V139 PolarHBondContact O-N 3.2Å; V139-L184 HydrophobicContact CB-CD1 4.15Å; V139-L184 HydrophobicContact CG1-CD1 3.83Å; V139-Y497 HydrophobicContact CG1-CE1 4.34Å; V139-Y508 HydrophobicContact CG1-CD2 4.32Å
140N84.3Confident85.4Confident112 Ų11259.8 Ų59.860%0.59932%0.316SS*.THydrogen-bonded Turntrans-86.7-4.2179.6-60.2-58.3000114.1D138D138-N140 VanDerWaalsContact C-N 3.28Å; D138-N140 VanDerWaalsContact OD1-CB 3.29Å; D138-N140 WeakPolarHBondContact OD1-CB 3.33Å; D138-N140 PolarHBondContact OD1-N 3.37Å; D138-N140 PolarHBondContact OD1-ND2 3.3Å
141H82.5Confident85Confident77 Ų7755.8 Ų55.836%0.35630%0.301SS..  trans-56.3142.9173.6-71.391.3000111.1D138 L146 V183D138-H141 PolarHBondContact O-ND1 2.7Å; H141-L146 HydrophobicContact CB-CD1 4.42Å; H141-L146 HydrophobicContact CB-CD2 4.4Å; H141-L146 HydrophobicContact CB-CG 4.04Å; H141-V183 HydrophobicContact CB-CG2 4.25Å; H141-V183 WeakPolarHBondContact O-CG2 3.3Å; H141-V183 PolarHBondContact O-N 2.96Å
142S87.3Confident84.2Confident20 Ų2062.9 Ų62.914%0.1434%0.338CS..  trans-75.6153.9168.465.10000111K144 E145 L146 D181S142-K144 PolarHBondContact O-N 3.48Å; S142-E145 PolarHBondContact N-OE2 2.76Å; S142-E145 PolarHBondContact O-N 3.17Å; S142-E145 VanDerWaalsContact OG-CB 3.25Å; S142-E145 WeakPolarHBondContact OG-CB 3.3Å; S142-E145 WeakPolarHBondContact OG-CG 3.41Å; S142-E145 PolarHBondContact OG-N 3.25Å; S142-E145 PolarHBondContact OG-OE2 2.73Å; S142-L146 PolarHBondContact O-N 2.75Å; S142-L146 VanDerWaalsContact O-N 3.11Å; S142-D181 VanDerWaalsContact CA-O 3.25Å; S142-D181 WeakPolarHBondContact CA-O 3.14Å; S142-D181 WeakPolarHBondContact CB-O 3.44Å
143V86.8Confident83.7Confident15 Ų1564.5 Ų64.59%0.09135%0.349CS..Hα-helixtrans-63.8-35.4174.6173.60000109.9L146 S147 F161 D181 K182 M481V143-L146 PolarHBondContact O-N 2.97Å; V143-S147 WeakPolarHBondContact O-CB 3.28Å; V143-S147 PolarHBondContact O-N 3.09Å; V143-S147 PolarHBondContact O-OG 2.93Å; V143-F161 HydrophobicContact CG1-CE1 3.77Å; V143-F161 HydrophobicContact CG1-CZ 3.65Å; V143-D181 PolarHBondContact N-O 3.24Å; V143-D181 PolarHBondContact N-OD1 2.97Å; V143-K182 WeakPolarHBondContact CG2-O 3.25Å; V143-M481 HydrophobicContact CG1-CE 3.73Å
144K86.6Confident83.4Confident118 Ų11864 Ų6451%0.51334%0.344SS..Hα-helixtrans-62.1-47174.6-171177.6177.9-176.90112.8S142 S147 Q148 D181S142-K144 PolarHBondContact O-N 3.48Å; K144-S147 WeakPolarHBondContact CA-OG 3.45Å; K144-S147 PolarHBondContact O-N 3.41Å; K144-S147 PolarHBondContact O-OG 2.62Å; K144-Q148 HydrophobicContact CG-CG 4.42Å; K144-Q148 WeakPolarHBondContact O-CB 3.06Å; K144-Q148 VanDerWaalsContact O-CG 3.27Å; K144-Q148 WeakPolarHBondContact O-CG 3.25Å; K144-Q148 PolarHBondContact O-N 2.87Å; K144-D181 PolarHBondContact N-OD1 3.46Å
145E86.5Confident82.9Confident114 Ų11464.1 Ų64.153%0.53336%0.355SS..Hα-helixtrans-62.7-43.9177.3-75.6159161.400111.7S142 G149S142-E145 PolarHBondContact N-OE2 2.76Å; S142-E145 PolarHBondContact O-N 3.17Å; S142-E145 VanDerWaalsContact OG-CB 3.25Å; S142-E145 WeakPolarHBondContact OG-CB 3.3Å; S142-E145 WeakPolarHBondContact OG-CG 3.41Å; S142-E145 PolarHBondContact OG-N 3.25Å; S142-E145 PolarHBondContact OG-OE2 2.73Å; E145-G149 PolarHBondContact O-N 2.81Å
146L85.2Confident83.1Confident29 Ų2969.3 Ų69.315%0.15238%0.38CS..Hα-helixtrans-64-42.3178.9-80.2-178.6000113.1H141 S142 V143 S150 V183 M481 Y497H141-L146 HydrophobicContact CB-CD1 4.42Å; H141-L146 HydrophobicContact CB-CD2 4.4Å; H141-L146 HydrophobicContact CB-CG 4.04Å; S142-L146 PolarHBondContact O-N 2.75Å; S142-L146 VanDerWaalsContact O-N 3.11Å; V143-L146 PolarHBondContact O-N 2.97Å; L146-S150 WeakPolarHBondContact O-CB 3.26Å; L146-S150 PolarHBondContact O-N 3.34Å; L146-S150 PolarHBondContact O-OG 3.46Å; L146-V183 HydrophobicContact CD1-CG2 3.19Å; L146-V183 HydrophobicContact CG-CG2 4.24Å; L146-M481 HydrophobicContact CB-SD 4.48Å; L146-Y497 HydrophobicContact CD1-CE2 4.48Å
147S86.4Confident83.5Confident12 Ų1265.8 Ų65.88%0.08436%0.358CS..Hα-helixtrans-66.9-50177.950.30000111.3V143 K144 S150 M151V143-S147 WeakPolarHBondContact O-CB 3.28Å; V143-S147 PolarHBondContact O-N 3.09Å; V143-S147 PolarHBondContact O-OG 2.93Å; K144-S147 WeakPolarHBondContact CA-OG 3.45Å; K144-S147 PolarHBondContact O-N 3.41Å; K144-S147 PolarHBondContact O-OG 2.62Å; S147-S150 PolarHBondContact O-N 3.13Å; S147-M151 WeakPolarHBondContact O-CB 3.49Å; S147-M151 PolarHBondContact O-N 2.91Å
148Q83.7Confident83.8Confident101 Ų10169 Ų6947%0.47238%0.377SS..Hα-helixtrans-62-46.2179.4-71.1-177.4-19.100111.9K144 S150 M151 L152K144-Q148 HydrophobicContact CG-CG 4.42Å; K144-Q148 WeakPolarHBondContact O-CB 3.06Å; K144-Q148 VanDerWaalsContact O-CG 3.27Å; K144-Q148 WeakPolarHBondContact O-CG 3.25Å; K144-Q148 PolarHBondContact O-N 2.87Å; Q148-S150 VanDerWaalsContact C-N 3.26Å; Q148-S150 PolarHBondContact O-N 2.66Å; Q148-M151 CarbonylContact O-C 3.56Å; Q148-M151 PolarHBondContact O-N 2.78Å; Q148-L152 WeakPolarHBondContact O-CD2 3.49Å; Q148-L152 VanDerWaalsContact O-CG 3.32Å; Q148-L152 WeakPolarHBondContact O-CG 3.38Å; Q148-L152 PolarHBondContact O-N 2.82Å
149G82.9Confident84.4Confident48 Ų4866.6 Ų66.650%0.49537%0.366SS..Hα-helixtrans-63.1-30.9176.500000113.3E145E145-G149 PolarHBondContact O-N 2.81Å
150S81.5Confident85Confident10 Ų1066.2 Ų66.27%0.0736%0.364CS..Hα-helixtrans-82.3-24.2177.6-63.80000113.8L146 S147 Q148 I493 K512L146-S150 WeakPolarHBondContact O-CB 3.26Å; L146-S150 PolarHBondContact O-N 3.34Å; L146-S150 PolarHBondContact O-OG 3.46Å; S147-S150 PolarHBondContact O-N 3.13Å; Q148-S150 VanDerWaalsContact C-N 3.26Å; Q148-S150 PolarHBondContact O-N 2.66Å; S150-I493 VanDerWaalsContact O-CD1 3.3Å; S150-I493 WeakPolarHBondContact O-CD1 3.4Å; S150-K512 PolarHBondContact OG-NZ 2.67Å
151M82.4Confident85.5Confident5 Ų561.3 Ų61.33%0.02534%0.338CS..  trans-121.928.5-174-70.8-57.7-16700113.7S147 Q148 S153 F154 F157 I483 A485 T491 I493S147-M151 WeakPolarHBondContact O-CB 3.49Å; S147-M151 PolarHBondContact O-N 2.91Å; Q148-M151 CarbonylContact O-C 3.56Å; Q148-M151 PolarHBondContact O-N 2.78Å; M151-S153 PolarHBondContact O-N 3.23Å; M151-F154 HydrophobicContact CB-CB 4.19Å; M151-F154 HydrophobicContact CB-CD2 4.5Å; M151-F154 PolarHBondContact O-N 3.22Å; M151-F154 HydrophobicContact SD-CB 4.01Å; M151-F154 HydrophobicContact SD-CD2 3.56Å; M151-F154 VanDerWaalsContact SD-CD2 3.56Å; M151-F154 HydrophobicContact SD-CE2 4.27Å; M151-F154 HydrophobicContact SD-CG 3.85Å; M151-F157 HydrophobicContact CB-CD1 3.8Å; M151-F157 HydrophobicContact CB-CE1 4.02Å; M151-F157 HydrophobicContact CB-CG 4.34Å; M151-F157 HydrophobicContact CG-CB 4.34Å; M151-F157 HydrophobicContact CG-CD1 4.07Å; M151-F157 HydrophobicContact CG-CG 4.1Å; M151-I483 HydrophobicContact CE-CB 3.8Å; M151-I483 HydrophobicContact CE-CG2 3.46Å; M151-I483 VanDerWaalsContact CE-CG2 3.46Å; M151-I483 WeakPolarHBondContact CE-O 3.41Å; M151-I483 HydrophobicContact CG-CG2 3.64Å; M151-I483 HydrophobicContact SD-CG2 4.41Å; M151-A485 HydrophobicContact CE-CB 3.98Å; M151-A485 HydrophobicContact SD-CB 4.2Å; M151-T491 HydrophobicContact CE-CG2 4.26Å; M151-I493 HydrophobicContact CE-CB 4.35Å; M151-I493 HydrophobicContact CE-CD1 3.72Å; M151-I493 HydrophobicContact CE-CG1 3.87Å; M151-I493 HydrophobicContact SD-CD1 3.82Å
152L76.3Confident86.1Confident149 Ų14957.9 Ų57.978%0.7832%0.322SS*.THydrogen-bonded Turntrans-49.3-28.7-179.3-71.7172.1000114.7Q148Q148-L152 WeakPolarHBondContact O-CD2 3.49Å; Q148-L152 VanDerWaalsContact O-CG 3.32Å; Q148-L152 WeakPolarHBondContact O-CG 3.38Å; Q148-L152 PolarHBondContact O-N 2.82Å
153S77.5Confident86.5Confident85 Ų8556.9 Ų56.959%0.59432%0.315SS*.THydrogen-bonded Turntrans-98.82.5-179.8-48.50000114.7M151 P488M151-S153 PolarHBondContact O-N 3.23Å; S153-P488 VanDerWaalsContact O-CD 3.24Å; S153-P488 WeakPolarHBondContact O-CD 3.27Å
154F81.9Confident86.9Confident11 Ų1157.9 Ų57.95%0.04832%0.319CS..  trans-124.798.4-173.1-58.6-91.7000108.9M151 E156 A485 N487 P488 V489 T491M151-F154 HydrophobicContact CB-CB 4.19Å; M151-F154 HydrophobicContact CB-CD2 4.5Å; M151-F154 PolarHBondContact O-N 3.22Å; M151-F154 HydrophobicContact SD-CB 4.01Å; M151-F154 HydrophobicContact SD-CD2 3.56Å; M151-F154 VanDerWaalsContact SD-CD2 3.56Å; M151-F154 HydrophobicContact SD-CE2 4.27Å; M151-F154 HydrophobicContact SD-CG 3.85Å; F154-E156 VanDerWaalsContact C-N 3.28Å; F154-E156 PolarHBondContact O-N 2.73Å; F154-A485 HydrophobicContact CB-CB 3.74Å; F154-A485 HydrophobicContact CD1-CB 3.52Å; F154-A485 HydrophobicContact CE1-CB 4.45Å; F154-A485 HydrophobicContact CG-CB 3.78Å; F154-N487 WeakPolarHBondContact CD1-O 3.24Å; F154-P488 HydrophobicContact CE1-CG 4.36Å; F154-V489 HydrophobicContact CE1-CG2 3.95Å; F154-V489 WeakPolarHBondContact CE1-O 3.42Å; F154-V489 HydrophobicContact CZ-CG2 4.04Å; F154-T491 WeakPolarHBondContact CE1-OG1 3.46Å; F154-T491 HydrophobicContact CE2-CG2 4.37Å; F154-T491 HydrophobicContact CZ-CG2 4.18Å; F154-T491 WeakPolarHBondContact CZ-OG1 3.23Å
155P78Confident87.3Confident116 Ų11652.3 Ų52.375%0.75330%0.295SS*.SBendtrans-67.7-30.4-175.426.7-33.9000112.6
156E86.7Confident87.6Confident142 Ų14254 Ų5466%0.66430%0.3SS*.SBendtrans-116.9120.1178.3-66-178.7175.600110.1F154F154-E156 VanDerWaalsContact C-N 3.28Å; F154-E156 PolarHBondContact O-N 2.73Å
157F89.7Confident87.9Confident70 Ų7053.8 Ų53.831%0.30730%0.299SS..EExtended strand (participates in β ladder)trans-144.5153.317461.3-94.1000110.4M151 C159 I483 D484 A485M151-F157 HydrophobicContact CB-CD1 3.8Å; M151-F157 HydrophobicContact CB-CE1 4.02Å; M151-F157 HydrophobicContact CB-CG 4.34Å; M151-F157 HydrophobicContact CG-CB 4.34Å; M151-F157 HydrophobicContact CG-CD1 4.07Å; M151-F157 HydrophobicContact CG-CG 4.1Å; F157-C159 HydrophobicContact CD2-CB 4.5Å; F157-C159 HydrophobicContact CE2-CB 4.45Å; F157-I483 HydrophobicContact CB-CG2 4.04Å; F157-I483 HydrophobicContact CD2-CG2 3.45Å; F157-I483 VanDerWaalsContact CD2-CG2 3.45Å; F157-I483 HydrophobicContact CE2-CG2 4.13Å; F157-I483 HydrophobicContact CG-CG2 3.92Å; F157-D484 CarbonylContact C-O 3.13Å; F157-D484 WeakPolarHBondContact CA-O 3.43Å; F157-A485 HydrophobicContact CB-CB 3.98Å
158V91.3Very high87.8Confident93 Ų9357 Ų5756%0.56432%0.322SS*.EExtended strand (participates in β ladder)trans-101.3133.4172179.40000107.9T160 I483 D484V158-T160 HydrophobicContact CG1-CG2 4.27Å; V158-I483 CarbonylContact O-C 3.43Å; V158-I483 WeakPolarHBondContact O-CA 3.45Å; V158-D484 PolarHBondContact N-O 2.87Å; V158-D484 PolarHBondContact O-N 2.91Å
159C92Very high87.9Confident30 Ų3055.5 Ų55.520%0.20331%0.314CS..EExtended strand (participates in β ladder)trans-116.3128.8175.8-168.90000110F157 F161 M481 R482F157-C159 HydrophobicContact CD2-CB 4.5Å; F157-C159 HydrophobicContact CE2-CB 4.45Å; C159-F161 WeakPolarHBondContact SG-CZ 3.31Å; C159-M481 WeakPolarHBondContact SG-CE 3.48Å; C159-R482 CarbonylContact C-O 3.51Å; C159-R482 VanDerWaalsContact CA-O 3.3Å; C159-R482 WeakPolarHBondContact CA-O 3.33Å
160T95Very high88.3Confident34 Ų3453.5 Ų53.521%0.20929%0.294CS..EExtended strand (participates in β ladder)trans-132.7161.8172.264.10000110V158 E177 R482V158-T160 HydrophobicContact CG1-CG2 4.27Å; T160-E177 HydrophobicContact CG2-CG 4.13Å; T160-R482 PolarHBondContact N-O 3.32Å; T160-R482 PolarHBondContact O-N 2.73Å; T160-R482 WeakPolarHBondContact OG1-CB 3.49Å
161F95.4Very high89Confident9 Ų956.5 Ų56.54%0.03931%0.308CS..EExtended strand (participates in β ladder)trans-130.4153.4-172.4-53.1-85.7000110.4V143 C159 R175 Y176 C179 W479 I480 M481V143-F161 HydrophobicContact CG1-CE1 3.77Å; V143-F161 HydrophobicContact CG1-CZ 3.65Å; C159-F161 WeakPolarHBondContact SG-CZ 3.31Å; F161-R175 WeakPolarHBondContact O-CA 3.23Å; F161-Y176 HydrophobicContact CB-CD1 4.1Å; F161-Y176 HydrophobicContact CB-CD2 3.7Å; F161-Y176 HydrophobicContact CB-CE1 3.73Å; F161-Y176 HydrophobicContact CB-CE2 3.34Å; F161-Y176 HydrophobicContact CB-CG 4.09Å; F161-Y176 AromaticContact CD2-CD2 3.95Å; F161-Y176 HydrophobicContact CD2-CD2 3.95Å; F161-Y176 AromaticContact CD2-CE2 3.89Å; F161-Y176 HydrophobicContact CD2-CE2 3.89Å; F161-Y176 HydrophobicContact CG-CD2 4.15Å; F161-Y176 AromaticContact CG-CE2 3.74Å; F161-Y176 HydrophobicContact CG-CE2 3.74Å; F161-Y176 PolarHBondContact N-O 3.36Å; F161-Y176 PolarHBondContact O-N 3.19Å; F161-C179 HydrophobicContact CD1-CB 4.14Å; F161-C179 HydrophobicContact CD2-CB 3.68Å; F161-C179 HydrophobicContact CE1-CB 3.95Å; F161-C179 HydrophobicContact CE2-CB 3.48Å; F161-C179 VanDerWaalsContact CE2-CB 3.48Å; F161-C179 HydrophobicContact CG-CB 4.01Å; F161-C179 HydrophobicContact CZ-CB 3.62Å; F161-W479 AromaticContact CD1-CH2 3.97Å; F161-W479 HydrophobicContact CD1-CH2 3.97Å; F161-W479 AromaticContact CD1-CZ2 3.5Å; F161-W479 HydrophobicContact CD1-CZ2 3.5Å; F161-W479 VanDerWaalsContact CD1-CZ2 3.5Å; F161-W479 HydrophobicContact CE1-CH2 4.08Å; F161-W479 AromaticContact CE1-CZ2 3.87Å; F161-W479 HydrophobicContact CE1-CZ2 3.87Å; F161-I480 CarbonylContact C-O 3.53Å; F161-I480 VanDerWaalsContact CA-O 3.26Å; F161-I480 WeakPolarHBondContact CA-O 3.3Å; F161-M481 HydrophobicContact CD1-CB 4.22Å; F161-M481 HydrophobicContact CD1-CG 4.15Å; F161-M481 HydrophobicContact CE1-CB 4.32Å; F161-M481 HydrophobicContact CE1-CE 4.31Å; F161-M481 HydrophobicContact CE1-CG 3.82Å; F161-M481 HydrophobicContact CE1-SD 4.33Å
162E95.4Very high89.7Confident4 Ų456.2 Ų56.22%0.01931%0.307CS..EExtended strand (participates in β ladder)trans-143.4137.7170.3177.5-178.2140.900109.9R173 A174 R175 W479 I480 R482E162-R173 VanDerWaalsContact CD-NE 3.35Å; E162-R173 HydrophobicContact CG-CG 4.35Å; E162-R173 IonicContact OE1-CZ 2.78Å; E162-R173 IonicContact OE1-NE 3.47Å; E162-R173 PolarHBondContact OE1-NE 3.01Å; E162-R173 IonicContact OE1-NH2 3.23Å; E162-R173 PolarHBondContact OE1-NH2 3.06Å; E162-R173 IonicContact OE2-CZ 3.38Å; E162-R173 IonicContact OE2-NE 3.32Å; E162-R173 IonicContact OE2-NH2 3.38Å; E162-R173 PolarHBondContact OE2-NH2 3.34Å; E162-A174 CarbonylContact C-O 3.5Å; E162-A174 WeakPolarHBondContact CA-O 3.27Å; E162-A174 WeakPolarHBondContact CG-O 2.93Å; E162-R175 HydrophobicContact CB-CG 4.07Å; E162-R175 HydrophobicContact CG-CG 3.91Å; E162-R175 IonicContact OE2-CZ 2.79Å; E162-R175 IonicContact OE2-NE 3.87Å; E162-R175 PolarHBondContact OE2-NE 2.75Å; E162-R175 IonicContact OE2-NH2 2.79Å; E162-W479 CarbonylContact O-C 3.49Å; E162-W479 WeakPolarHBondContact O-CA 3.36Å; E162-I480 HydrophobicContact CB-CB 4.24Å; E162-I480 PolarHBondContact N-O 2.77Å; E162-I480 PolarHBondContact O-N 3.16Å; E162-R482 IonicContact OE1-NH2 3.79Å; E162-R482 IonicContact OE2-CZ 3.41Å; E162-R482 IonicContact OE2-NH1 3.2Å; E162-R482 PolarHBondContact OE2-NH1 2.58Å; E162-R482 IonicContact OE2-NH2 3.74Å; E162-R482 PolarHBondContact OE2-NH2 3.09Å
163C95.3Very high90.7Very high0 Ų052.2 Ų52.20%028%0.282CS..EExtended strand (participates in β ladder)trans-128.1147.3175.456.40000109.8Y165 R173 A174 Y176 P187 L478C163-Y165 HydrophobicContact CB-CD2 4.44Å; C163-Y165 HydrophobicContact CB-CE2 3.7Å; C163-Y165 WeakPolarHBondContact SG-CE2 3.49Å; C163-R173 CarbonylContact O-C 3.59Å; C163-R173 WeakPolarHBondContact O-CA 3.17Å; C163-A174 PolarHBondContact N-O 3.33Å; C163-A174 PolarHBondContact O-N 3.07Å; C163-Y176 HydrophobicContact CB-CE1 4.29Å; C163-P187 VanDerWaalsContact SG-CD 3.54Å; C163-P187 VanDerWaalsContact SG-CG 3.58Å; C163-L478 CarbonylContact C-O 3.57Å; C163-L478 WeakPolarHBondContact CA-O 3.49Å
164M95.8Very high91.5Very high35 Ų3548.2 Ų48.217%0.17225%0.254CS..EExtended strand (participates in β ladder)trans-127.9128.6172.7-170.5-174.865.900108.8I171 F172 D477 L478M164-I171 HydrophobicContact CG-CG2 3.32Å; M164-I171 HydrophobicContact SD-CG2 3.73Å; M164-F172 CarbonylContact C-O 3.42Å; M164-F172 VanDerWaalsContact CA-O 3.32Å; M164-F172 WeakPolarHBondContact CA-O 3.48Å; M164-D477 HydrophobicContact CE-CB 4.07Å; M164-D477 PolarHBondContact O-N 2.83Å; M164-L478 HydrophobicContact CB-CB 3.91Å; M164-L478 HydrophobicContact CE-CB 3.85Å; M164-L478 HydrophobicContact CE-CD2 4.36Å; M164-L478 PolarHBondContact N-O 3.36Å; M164-L478 PolarHBondContact O-N 2.88Å
165Y95.1Very high92.2Very high2 Ų254.8 Ų54.81%0.00828%0.278CS..EExtended strand (participates in β ladder)trans-118.6128.7177.3-61.3-90.2000109.4C163 I171 F172 P186 P187 V471 L474 P476C163-Y165 HydrophobicContact CB-CD2 4.44Å; C163-Y165 HydrophobicContact CB-CE2 3.7Å; C163-Y165 WeakPolarHBondContact SG-CE2 3.49Å; Y165-I171 WeakPolarHBondContact O-CA 3.21Å; Y165-F172 HydrophobicContact CD2-CD1 4.04Å; Y165-F172 PolarHBondContact N-O 3.24Å; Y165-F172 PolarHBondContact O-N 3.02Å; Y165-P186 WeakPolarHBondContact OH-CA 3.32Å; Y165-P187 HydrophobicContact CE2-CG 4.37Å; Y165-P187 VanDerWaalsContact OH-CD 3.3Å; Y165-P187 WeakPolarHBondContact OH-CD 3.42Å; Y165-V471 HydrophobicContact CD1-CB 4.31Å; Y165-V471 HydrophobicContact CD1-CG1 4.4Å; Y165-V471 HydrophobicContact CD2-CB 4.35Å; Y165-V471 HydrophobicContact CD2-CG1 4.05Å; Y165-V471 HydrophobicContact CE1-CB 3.98Å; Y165-V471 HydrophobicContact CE2-CB 3.99Å; Y165-V471 HydrophobicContact CE2-CG1 4.15Å; Y165-V471 HydrophobicContact CG-CB 4.49Å; Y165-V471 HydrophobicContact CG-CG1 4.16Å; Y165-L474 HydrophobicContact CD1-CB 4.17Å; Y165-L474 HydrophobicContact CE1-CB 4.43Å; Y165-P476 HydrophobicContact CD1-CB 4.16Å; Y165-P476 HydrophobicContact CE1-CB 3.67Å; Y165-P476 HydrophobicContact CE1-CG 4.39Å
166K91.9Very high93Very high149 Ų14949.8 Ų49.865%0.64824%0.244SC*.EExtended strand (participates in β ladder)trans-85.7114.7169.4-171.3177.9-179.5-177.40108.9D477K166-D477 WeakPolarHBondContact CB-OD1 3.43Å; K166-D477 WeakPolarHBondContact CB-OD2 3.28Å; K166-D477 PolarHBondContact N-OD2 3.35Å
167L90.6Very high93.2Very high24 Ų2450.3 Ų50.313%0.12625%0.247CC..  trans-94.7178.8174.7-54-179.8000109.8H169 G170 F172 L195 M419 L467 L474L167-H169 VanDerWaalsContact C-N 3.29Å; L167-H169 PolarHBondContact O-N 3.28Å; L167-G170 WeakPolarHBondContact CA-O 3.39Å; L167-G170 PolarHBondContact N-O 3.47Å; L167-F172 HydrophobicContact CD1-CB 4.1Å; L167-L195 HydrophobicContact CD1-CD1 3.93Å; L167-M419 HydrophobicContact CB-CG 4.22Å; L167-M419 HydrophobicContact CB-SD 3.68Å; L167-M419 HydrophobicContact CD1-CB 4.24Å; L167-M419 HydrophobicContact CD1-CG 4.25Å; L167-M419 HydrophobicContact CD1-SD 4Å; L167-L467 HydrophobicContact CD1-CD2 4.15Å; L167-L474 HydrophobicContact CD2-CD1 4.11Å
168S84.8Confident93Very high80 Ų8050.9 Ų50.956%0.55926%0.256SS*.SBendtrans-52.9-43.5-18051.70000113.4S418S168-S418 PolarHBondContact OG-OG 2.94Å
169H87Confident92.5Very high69 Ų6948 Ų4832%0.31924%0.24SC..SBendtrans-129.14.7-174.2-61.7-64.2000114.2L167 V197 C415 S418 M419L167-H169 VanDerWaalsContact C-N 3.29Å; L167-H169 PolarHBondContact O-N 3.28Å; H169-V197 WeakPolarHBondContact O-CG1 3.45Å; H169-C415 HydrophobicContact CB-CB 3.86Å; H169-S418 PolarHBondContact CD2-OG 3.46Å; H169-M419 HydrophobicContact CB-CE 3.98Å; H169-M419 HydrophobicContact CB-SD 4.07Å
170G91.5Very high92Very high7 Ų752.8 Ų52.87%0.07226%0.259CS..EExtended strand (participates in β ladder)trans-157.5178-172.300000113.3L167 T196 M419L167-G170 WeakPolarHBondContact CA-O 3.39Å; L167-G170 PolarHBondContact N-O 3.47Å; G170-T196 CarbonylContact C-O 3.6Å; G170-T196 WeakPolarHBondContact CA-O 3.42Å; G170-M419 PolarHBondContact N-SD 2.82Å
171I95.1Very high91.5Very high72 Ų7255.8 Ų55.837%0.36927%0.274SS..EExtended strand (participates in β ladder)trans-123.7123.7176.5-61.1175000107.3M164 Y165 T196M164-I171 HydrophobicContact CG-CG2 3.32Å; M164-I171 HydrophobicContact SD-CG2 3.73Å; Y165-I171 WeakPolarHBondContact O-CA 3.21Å; I171-T196 PolarHBondContact N-O 3.18Å; I171-T196 PolarHBondContact O-N 3.07Å
172F96.8Very high91.1Very high0 Ų060.6 Ų60.60%030%0.295CS..EExtended strand (participates in β ladder)trans-100.9124.4172.9-179.4-104000109.7M164 Y165 L167 A174 E194 L195 V464 L467 V471M164-F172 CarbonylContact C-O 3.42Å; M164-F172 VanDerWaalsContact CA-O 3.32Å; M164-F172 WeakPolarHBondContact CA-O 3.48Å; Y165-F172 HydrophobicContact CD2-CD1 4.04Å; Y165-F172 PolarHBondContact N-O 3.24Å; Y165-F172 PolarHBondContact O-N 3.02Å; L167-F172 HydrophobicContact CD1-CB 4.1Å; F172-A174 HydrophobicContact CE1-CB 3.78Å; F172-A174 HydrophobicContact CZ-CB 4.09Å; F172-E194 CarbonylContact C-O 3.57Å; F172-E194 WeakPolarHBondContact CA-O 3.21Å; F172-L195 HydrophobicContact CB-CD1 4.18Å; F172-L195 HydrophobicContact CD2-CB 4.16Å; F172-V464 HydrophobicContact CE1-CG2 3.8Å; F172-V464 HydrophobicContact CZ-CG2 3.74Å; F172-L467 HydrophobicContact CD1-CD1 3.86Å; F172-L467 HydrophobicContact CD2-CD1 4.21Å; F172-L467 HydrophobicContact CD2-CD2 4.31Å; F172-L467 HydrophobicContact CE1-CD1 3.95Å; F172-L467 HydrophobicContact CE2-CD1 4.27Å; F172-L467 HydrophobicContact CG-CD1 3.99Å; F172-L467 HydrophobicContact CZ-CD1 4.14Å; F172-V471 HydrophobicContact CD1-CG1 4.49Å
173R96.7Very high90.7Very high65 Ų6560.5 Ų60.525%0.24530%0.295CS..EExtended strand (participates in β ladder)trans-122.3120.1-179.4-175.9-174.9-173.1-177.54.4109.7E162 C163 R175 G193 E194E162-R173 VanDerWaalsContact CD-NE 3.35Å; E162-R173 HydrophobicContact CG-CG 4.35Å; E162-R173 IonicContact OE1-CZ 2.78Å; E162-R173 IonicContact OE1-NE 3.47Å; E162-R173 PolarHBondContact OE1-NE 3.01Å; E162-R173 IonicContact OE1-NH2 3.23Å; E162-R173 PolarHBondContact OE1-NH2 3.06Å; E162-R173 IonicContact OE2-CZ 3.38Å; E162-R173 IonicContact OE2-NE 3.32Å; E162-R173 IonicContact OE2-NH2 3.38Å; E162-R173 PolarHBondContact OE2-NH2 3.34Å; C163-R173 CarbonylContact O-C 3.59Å; C163-R173 WeakPolarHBondContact O-CA 3.17Å; R173-R175 VanDerWaalsContact NH2-NH2 3.11Å; R173-G193 CarbonylContact O-C 3.59Å; R173-G193 WeakPolarHBondContact O-CA 3.48Å; R173-E194 PolarHBondContact N-O 3.01Å; R173-E194 PolarHBondContact O-N 2.64Å
174A96.3Very high90.5Very high0 Ų061.8 Ų61.80%030%0.301CS..EExtended strand (participates in β ladder)trans-121.5143.4177.300000111.3E162 C163 F172 P187 V191E162-A174 CarbonylContact C-O 3.5Å; E162-A174 WeakPolarHBondContact CA-O 3.27Å; E162-A174 WeakPolarHBondContact CG-O 2.93Å; C163-A174 PolarHBondContact N-O 3.33Å; C163-A174 PolarHBondContact O-N 3.07Å; F172-A174 HydrophobicContact CE1-CB 3.78Å; F172-A174 HydrophobicContact CZ-CB 4.09Å; A174-P187 HydrophobicContact CB-CB 4.26Å; A174-P187 HydrophobicContact CB-CG 4.22Å; A174-V191 HydrophobicContact CB-CG1 4.04Å
175R95.6Very high90.2Very high149 Ų14960.4 Ų60.456%0.56230%0.295SS*.EExtended strand (participates in β ladder)trans-118.7136.4172.4-68-178.5178.7156.12.6108.9F161 E162 R173F161-R175 WeakPolarHBondContact O-CA 3.23Å; E162-R175 HydrophobicContact CB-CG 4.07Å; E162-R175 HydrophobicContact CG-CG 3.91Å; E162-R175 IonicContact OE2-CZ 2.79Å; E162-R175 IonicContact OE2-NE 3.87Å; E162-R175 PolarHBondContact OE2-NE 2.75Å; E162-R175 IonicContact OE2-NH2 2.79Å; R173-R175 VanDerWaalsContact NH2-NH2 3.11Å
176Y94.9Very high90.1Very high12 Ų1261.6 Ų61.65%0.04730%0.303CS..EExtended strand (participates in β ladder)trans-156159.8-172.156.4-81000112.2F161 C163 T178 C179 S185 P187 W479F161-Y176 HydrophobicContact CB-CD1 4.1Å; F161-Y176 HydrophobicContact CB-CD2 3.7Å; F161-Y176 HydrophobicContact CB-CE1 3.73Å; F161-Y176 HydrophobicContact CB-CE2 3.34Å; F161-Y176 HydrophobicContact CB-CG 4.09Å; F161-Y176 AromaticContact CD2-CD2 3.95Å; F161-Y176 HydrophobicContact CD2-CD2 3.95Å; F161-Y176 AromaticContact CD2-CE2 3.89Å; F161-Y176 HydrophobicContact CD2-CE2 3.89Å; F161-Y176 HydrophobicContact CG-CD2 4.15Å; F161-Y176 AromaticContact CG-CE2 3.74Å; F161-Y176 HydrophobicContact CG-CE2 3.74Å; F161-Y176 PolarHBondContact N-O 3.36Å; F161-Y176 PolarHBondContact O-N 3.19Å; C163-Y176 HydrophobicContact CB-CE1 4.29Å; Y176-T178 WeakPolarHBondContact CD2-O 3.43Å; Y176-C179 HydrophobicContact CD2-CB 4.49Å; Y176-C179 HydrophobicContact CE2-CB 3.81Å; Y176-S185 PolarHBondContact OH-O 3.41Å; Y176-S185 VanDerWaalsContact OH-O 3.13Å; Y176-P187 HydrophobicContact CD1-CB 3.72Å; Y176-P187 HydrophobicContact CE1-CB 3.75Å; Y176-P187 HydrophobicContact CG-CB 4.22Å; Y176-W479 PolarHBondContact OH-NE1 2.96Å; Y176-W479 VanDerWaalsContact OH-NE1 3.13Å
177E91Very high90.1Very high153 Ų15354.8 Ų54.872%0.71527%0.274SS*.SBendtrans-106.9-19.3-176.8-57.4-176.3167.800112.4T160T160-E177 HydrophobicContact CG2-CG 4.13Å
178T85.4Confident90.2Very high82 Ų8255.1 Ų55.150%0.50328%0.278SS..  trans-115.5120.2-177.148.30000110.8Y176 P188Y176-T178 WeakPolarHBondContact CD2-O 3.43Å; T178-P188 WeakPolarHBondContact O-CD 3.4Å; T178-P188 WeakPolarHBondContact O-CG 3.07Å
179C81Confident90.6Very high33 Ų3354.9 Ų54.922%0.22328%0.276CS..  trans-124.9149.1-178.3-171.30000109.3F161 Y176F161-C179 HydrophobicContact CD1-CB 4.14Å; F161-C179 HydrophobicContact CD2-CB 3.68Å; F161-C179 HydrophobicContact CE1-CB 3.95Å; F161-C179 HydrophobicContact CE2-CB 3.48Å; F161-C179 VanDerWaalsContact CE2-CB 3.48Å; F161-C179 HydrophobicContact CG-CB 4.01Å; F161-C179 HydrophobicContact CZ-CB 3.62Å; Y176-C179 HydrophobicContact CD2-CB 4.49Å; Y176-C179 HydrophobicContact CE2-CB 3.81Å
180E81.9Confident90.9Very high130 Ų13058.4 Ų58.461%0.60729%0.291SS*.  trans-60.3155.1164-60.4-178.717000109.7K182E180-K182 PolarHBondContact O-N 3.46Å
181D83.9Confident91Very high97 Ų9758.6 Ų58.652%0.51929%0.291SS..SBendtrans-75.932.3-173.4-163.623.9000113.8S142 V143 K144S142-D181 VanDerWaalsContact CA-O 3.25Å; S142-D181 WeakPolarHBondContact CA-O 3.14Å; S142-D181 WeakPolarHBondContact CB-O 3.44Å; V143-D181 PolarHBondContact N-O 3.24Å; V143-D181 PolarHBondContact N-OD1 2.97Å; K144-D181 PolarHBondContact N-OD1 3.46Å
182K87.2Confident91.1Very high109 Ų10957.7 Ų57.747%0.47429%0.29SS..SBendtrans-129.5142.7176.7-172.6-178.6178.6-179.40110.8V143 E180 S185V143-K182 WeakPolarHBondContact CG2-O 3.25Å; E180-K182 PolarHBondContact O-N 3.46Å; K182-S185 VanDerWaalsContact C-OG 3.31Å; K182-S185 WeakPolarHBondContact CB-OG 3.3Å; K182-S185 VanDerWaalsContact O-CB 3.31Å; K182-S185 WeakPolarHBondContact O-CB 3.44Å; K182-S185 PolarHBondContact O-N 2.85Å; K182-S185 PolarHBondContact O-OG 3.19Å
183V87.5Confident91Very high3 Ų357.9 Ų57.92%0.01829%0.293CS..THydrogen-bonded Turntrans-64.5144.6174.11750000110.8H141 L146 S185 W479 Y497H141-V183 HydrophobicContact CB-CG2 4.25Å; H141-V183 WeakPolarHBondContact O-CG2 3.3Å; H141-V183 PolarHBondContact O-N 2.96Å; L146-V183 HydrophobicContact CD1-CG2 3.19Å; L146-V183 HydrophobicContact CG-CG2 4.24Å; V183-S185 PolarHBondContact O-N 3.32Å; V183-W479 HydrophobicContact CG1-CZ3 4.44Å; V183-Y497 HydrophobicContact CG1-CD1 4.12Å; V183-Y497 HydrophobicContact CG1-CD2 4.06Å; V183-Y497 HydrophobicContact CG1-CE1 3.66Å; V183-Y497 HydrophobicContact CG1-CE2 3.61Å; V183-Y497 HydrophobicContact CG1-CG 4.31Å; V183-Y497 VanDerWaalsContact CG1-CZ 3.42Å
184L90.3Very high91.1Very high26 Ų2659.1 Ų59.114%0.13630%0.301CS..THydrogen-bonded Turntrans65.410.7-173.3-46.8174.3000115.1V139 P476 W479 Y497 Y508V139-L184 HydrophobicContact CB-CD1 4.15Å; V139-L184 HydrophobicContact CG1-CD1 3.83Å; L184-P476 HydrophobicContact CB-CG 4.17Å; L184-P476 HydrophobicContact CD2-CG 4.31Å; L184-W479 HydrophobicContact CD2-CB 3.79Å; L184-W479 HydrophobicContact CD2-CD2 4.5Å; L184-W479 HydrophobicContact CD2-CG 4.14Å; L184-Y497 VanDerWaalsContact CD2-CB 3.46Å; L184-Y497 HydrophobicContact CD2-CD1 4.03Å; L184-Y497 HydrophobicContact CD2-CG 3.78Å; L184-Y508 HydrophobicContact CD1-CD1 4.3Å; L184-Y508 HydrophobicContact CD1-CD2 3.62Å; L184-Y508 HydrophobicContact CD1-CE1 4.04Å; L184-Y508 HydrophobicContact CD1-CE2 3.31Å; L184-Y508 HydrophobicContact CD1-CG 4.1Å; L184-Y508 HydrophobicContact CD2-CD1 4.2Å; L184-Y508 HydrophobicContact CD2-CE1 3.88Å
185S90.4Very high91.1Very high6 Ų659.1 Ų59.14%0.04230%0.301CS..PPolyproline II helixtrans-58.7143.5177.8-61.80000111Y176 K182 V183 W479Y176-S185 PolarHBondContact OH-O 3.41Å; Y176-S185 VanDerWaalsContact OH-O 3.13Å; K182-S185 VanDerWaalsContact C-OG 3.31Å; K182-S185 WeakPolarHBondContact CB-OG 3.3Å; K182-S185 VanDerWaalsContact O-CB 3.31Å; K182-S185 WeakPolarHBondContact O-CB 3.44Å; K182-S185 PolarHBondContact O-N 2.85Å; K182-S185 PolarHBondContact O-OG 3.19Å; V183-S185 PolarHBondContact O-N 3.32Å; S185-W479 PolarHBondContact O-NE1 2.88Å
186P91.8Very high91.2Very high28 Ų2853.7 Ų53.718%0.18229%0.285CS..PPolyproline II helixtrans-67.3156.7178.530.9-37.2000111.5Y165 V471Y165-P186 WeakPolarHBondContact OH-CA 3.32Å; P186-V471 HydrophobicContact CB-CG2 4.1Å
187P93.3Very high91.2Very high5 Ų553.1 Ų53.13%0.03228%0.282CS..PPolyproline II helixtrans-62143.6168.728.9-34.6000109.9C163 Y165 A174 Y176 V191 V464 V471C163-P187 VanDerWaalsContact SG-CD 3.54Å; C163-P187 VanDerWaalsContact SG-CG 3.58Å; Y165-P187 HydrophobicContact CE2-CG 4.37Å; Y165-P187 VanDerWaalsContact OH-CD 3.3Å; Y165-P187 WeakPolarHBondContact OH-CD 3.42Å; A174-P187 HydrophobicContact CB-CB 4.26Å; A174-P187 HydrophobicContact CB-CG 4.22Å; Y176-P187 HydrophobicContact CD1-CB 3.72Å; Y176-P187 HydrophobicContact CE1-CB 3.75Å; Y176-P187 HydrophobicContact CG-CB 4.22Å; P187-V191 HydrophobicContact CB-CB 4.21Å; P187-V191 HydrophobicContact CB-CG1 4.2Å; P187-V191 HydrophobicContact CB-CG2 4.49Å; P187-V464 HydrophobicContact CB-CG2 4.02Å; P187-V464 HydrophobicContact CG-CG1 4.41Å; P187-V464 HydrophobicContact CG-CG2 3.62Å; P187-V471 HydrophobicContact CG-CG2 4.26Å
188P92.6Very high91.2Very high31 Ų3149.9 Ų49.920%0.20127%0.27CS..PPolyproline II helixtrans-55.2150.8172.1-25.231000112.7T178 F190 V191T178-P188 WeakPolarHBondContact O-CD 3.4Å; T178-P188 WeakPolarHBondContact O-CG 3.07Å; P188-F190 HydrophobicContact CB-CD1 3.81Å; P188-F190 HydrophobicContact CB-CE1 3.31Å; P188-F190 HydrophobicContact CB-CE2 4.17Å; P188-F190 HydrophobicContact CB-CG 4.42Å; P188-F190 HydrophobicContact CB-CZ 3.51Å; P188-F190 HydrophobicContact CG-CE1 4.15Å; P188-F190 HydrophobicContact CG-CZ 3.93Å; P188-F190 PolarHBondContact O-N 3.47Å; P188-F190 VanDerWaalsContact O-N 3.11Å; P188-V191 HydrophobicContact CB-CG2 4.11Å; P188-V191 HydrophobicContact CG-CG2 4.18Å; P188-V191 VanDerWaalsContact O-CB 3.29Å; P188-V191 WeakPolarHBondContact O-CB 3.49Å; P188-V191 PolarHBondContact O-N 3.03Å
189S92.4Very high91.4Very high76 Ų7646.2 Ų46.253%0.53125%0.247SC..THydrogen-bonded Turntrans-59.2-28.8-174.358.30000114.7V191 S465S189-V191 VanDerWaalsContact C-N 3.32Å; S189-S465 WeakPolarHBondContact O-CB 3.33Å; S189-S465 PolarHBondContact O-N 2.99Å
190F92.9Very high91.7Very high142 Ų14247.1 Ų47.162%0.62325%0.252SS*.THydrogen-bonded Turntrans-81.9-6.4178.261.1-98.6000113.9P188 L463P188-F190 HydrophobicContact CB-CD1 3.81Å; P188-F190 HydrophobicContact CB-CE1 3.31Å; P188-F190 HydrophobicContact CB-CE2 4.17Å; P188-F190 HydrophobicContact CB-CG 4.42Å; P188-F190 HydrophobicContact CB-CZ 3.51Å; P188-F190 HydrophobicContact CG-CE1 4.15Å; P188-F190 HydrophobicContact CG-CZ 3.93Å; P188-F190 PolarHBondContact O-N 3.47Å; P188-F190 VanDerWaalsContact O-N 3.11Å; F190-L463 WeakPolarHBondContact O-CD2 3.41Å
191V94.9Very high91.9Very high12 Ų1240.9 Ų40.97%0.07322%0.223CC..  trans-71.6136.6177.3170.20000109.4A174 P187 P188 S189 L463 V464A174-V191 HydrophobicContact CB-CG1 4.04Å; P187-V191 HydrophobicContact CB-CB 4.21Å; P187-V191 HydrophobicContact CB-CG1 4.2Å; P187-V191 HydrophobicContact CB-CG2 4.49Å; P188-V191 HydrophobicContact CB-CG2 4.11Å; P188-V191 HydrophobicContact CG-CG2 4.18Å; P188-V191 VanDerWaalsContact O-CB 3.29Å; P188-V191 WeakPolarHBondContact O-CB 3.49Å; P188-V191 PolarHBondContact O-N 3.03Å; S189-V191 VanDerWaalsContact C-N 3.32Å; V191-L463 WeakPolarHBondContact O-CA 3.17Å; V191-V464 HydrophobicContact CB-CG2 4.26Å; V191-V464 WeakPolarHBondContact O-CG2 3.34Å; V191-V464 PolarHBondContact O-N 2.9Å
192S95.5Very high92Very high52 Ų5237.1 Ų37.136%0.36420%0.201SC..EExtended strand (participates in β ladder)trans-88132.7169.2-166.20000110.3S461 L462S192-S461 PolarHBondContact OG-OG 3.36Å; S192-L462 CarbonylContact C-O 3.59Å; S192-L462 WeakPolarHBondContact CA-O 3.44Å
193G96.1Very high91.7Very high5 Ų537.2 Ų37.25%0.05220%0.202CC..EExtended strand (participates in β ladder)trans-121.4169.9168.800000111.7R173 S461 L462R173-G193 CarbonylContact O-C 3.59Å; R173-G193 WeakPolarHBondContact O-CA 3.48Å; G193-S461 CarbonylContact O-C 3.48Å; G193-S461 WeakPolarHBondContact O-CA 3.33Å; G193-L462 PolarHBondContact N-O 3.19Å; G193-L462 PolarHBondContact O-N 2.99Å; G193-L462 VanDerWaalsContact O-O 3.13Å
194E97.5Very high90.6Very high91 Ų9142.2 Ų42.243%0.42524%0.237SC..EExtended strand (participates in β ladder)trans-95.8118.9173.8-178.4178.8-160.200109.1F172 R173 S459 F460F172-E194 CarbonylContact C-O 3.57Å; F172-E194 WeakPolarHBondContact CA-O 3.21Å; R173-E194 PolarHBondContact N-O 3.01Å; R173-E194 PolarHBondContact O-N 2.64Å; E194-S459 WeakPolarHBondContact OE1-CB 3.46Å; E194-F460 WeakPolarHBondContact CA-O 3.24Å
195L97.4Very high89.2Confident0 Ų042.3 Ų42.30%024%0.237CC..EExtended strand (participates in β ladder)trans-94.6119.1168.9-179.457.3000108.7L167 F172 V197 L416 M419 I420 S459 F460 L462L167-L195 HydrophobicContact CD1-CD1 3.93Å; F172-L195 HydrophobicContact CB-CD1 4.18Å; F172-L195 HydrophobicContact CD2-CB 4.16Å; L195-V197 HydrophobicContact CD1-CG2 4.31Å; L195-V197 HydrophobicContact CD2-CG2 4.38Å; L195-V197 HydrophobicContact CG-CG2 3.97Å; L195-L416 HydrophobicContact CD2-CD2 4.34Å; L195-M419 HydrophobicContact CD2-CE 4.45Å; L195-I420 HydrophobicContact CD2-CG2 3.37Å; L195-S459 WeakPolarHBondContact O-CA 3.13Å; L195-F460 HydrophobicContact CB-CE1 4.16Å; L195-F460 HydrophobicContact CB-CZ 4.17Å; L195-F460 HydrophobicContact CD2-CE1 4.04Å; L195-F460 HydrophobicContact CD2-CZ 3.68Å; L195-F460 HydrophobicContact CG-CE1 4.16Å; L195-F460 HydrophobicContact CG-CZ 4.23Å; L195-F460 PolarHBondContact N-O 2.79Å; L195-F460 PolarHBondContact O-N 2.84Å; L195-L462 HydrophobicContact CD2-CD2 4.31Å
196T96.9Very high88.1Confident34 Ų3451.1 Ų51.121%0.20928%0.275CS..EExtended strand (participates in β ladder)trans-109.7125.9174.7-62.30000109.7G170 I171 T457 H458 S459G170-T196 CarbonylContact C-O 3.6Å; G170-T196 WeakPolarHBondContact CA-O 3.42Å; I171-T196 PolarHBondContact N-O 3.18Å; I171-T196 PolarHBondContact O-N 3.07Å; T196-T457 HydrophobicContact CG2-CG2 3.75Å; T196-H458 WeakPolarHBondContact CA-O 3.42Å; T196-S459 WeakPolarHBondContact CB-OG 3.32Å; T196-S459 WeakPolarHBondContact CG2-OG 3.15Å; T196-S459 PolarHBondContact OG1-OG 3.08Å
197V94.6Very high87Confident0 Ų053.1 Ų53.10%028%0.284CS..EExtended strand (participates in β ladder)trans-123.4129.7-177.7-1760000109H169 L195 I199 F412 C415 L416 M419 T457 H458H169-V197 WeakPolarHBondContact O-CG1 3.45Å; L195-V197 HydrophobicContact CD1-CG2 4.31Å; L195-V197 HydrophobicContact CD2-CG2 4.38Å; L195-V197 HydrophobicContact CG-CG2 3.97Å; V197-I199 HydrophobicContact CG1-CG2 4.05Å; V197-F412 HydrophobicContact CG1-CE1 4.38Å; V197-C415 HydrophobicContact CG1-CB 4.13Å; V197-L416 HydrophobicContact CB-CD2 4.43Å; V197-L416 HydrophobicContact CG2-CD2 3.61Å; V197-M419 HydrophobicContact CB-CE 4.42Å; V197-M419 HydrophobicContact CG1-CE 4.09Å; V197-M419 HydrophobicContact CG2-CE 3.44Å; V197-M419 VanDerWaalsContact CG2-CE 3.44Å; V197-T457 WeakPolarHBondContact O-CA 3.27Å; V197-H458 PolarHBondContact N-O 2.85Å; V197-H458 PolarHBondContact O-N 3.45Å
198N91.3Very high86.3Confident85 Ų8552.9 Ų52.946%0.45528%0.282SS..EExtended strand (participates in β ladder)trans-109.9120.9174.4-66-39.6000108.4I456 T457N198-I456 WeakPolarHBondContact CA-O 3.3Å; N198-T457 VanDerWaalsContact OD1-CB 3.29Å; N198-T457 WeakPolarHBondContact OD1-CB 3.28Å; N198-T457 VanDerWaalsContact OD1-CG2 3.25Å; N198-T457 WeakPolarHBondContact OD1-CG2 3.49Å; N198-T457 PolarHBondContact OD1-OG1 3.24Å
199I89.7Confident85.9Confident6 Ų653.7 Ų53.73%0.03129%0.289CS..EExtended strand (participates in β ladder)trans-113143.3173.863.7170.7000110.3V197 P201 I408 F412 C415 C455 I456V197-I199 HydrophobicContact CG1-CG2 4.05Å; I199-P201 HydrophobicContact CD1-CG 3.92Å; I199-P201 HydrophobicContact CG1-CG 4.14Å; I199-I408 HydrophobicContact CD1-CG2 4.3Å; I199-F412 HydrophobicContact CD1-CD1 3.99Å; I199-F412 HydrophobicContact CD1-CD2 3.52Å; I199-F412 HydrophobicContact CD1-CE1 3.79Å; I199-F412 HydrophobicContact CD1-CE2 3.34Å; I199-F412 HydrophobicContact CD1-CG 3.85Å; I199-F412 HydrophobicContact CD1-CZ 3.46Å; I199-F412 VanDerWaalsContact CD1-CZ 3.46Å; I199-F412 HydrophobicContact CG1-CD1 4.5Å; I199-F412 HydrophobicContact CG1-CE1 3.94Å; I199-F412 HydrophobicContact CG1-CE2 4.1Å; I199-F412 HydrophobicContact CG1-CZ 3.71Å; I199-F412 HydrophobicContact CG2-CD1 4.04Å; I199-F412 HydrophobicContact CG2-CE1 3.93Å; I199-C415 HydrophobicContact CG2-CB 4.17Å; I199-C455 WeakPolarHBondContact O-CA 3.42Å; I199-I456 HydrophobicContact CG1-CB 3.98Å; I199-I456 PolarHBondContact N-O 2.78Å; I199-I456 PolarHBondContact O-N 3.36Å
200T88.5Confident85.5Confident51 Ų5153.7 Ų53.731%0.31328%0.283SS..  trans-119.481.3168.754.80000108.2Y202 K203 P453 F454 C455T200-Y202 PolarHBondContact O-N 3.21Å; T200-Y202 VanDerWaalsContact O-N 3.17Å; T200-K203 PolarHBondContact O-N 2.73Å; T200-P453 HydrophobicContact CG2-CB 4.29Å; T200-F454 WeakPolarHBondContact CA-O 3.38Å; T200-C455 HydrophobicContact CG2-CB 4.18Å
201P86Confident85.3Confident0 Ų046.9 Ų46.90%025%0.253CS..THydrogen-bonded Turntrans-56.6-37-167.9-24.632.8000113.5I199 Y407 I408I199-P201 HydrophobicContact CD1-CG 3.92Å; I199-P201 HydrophobicContact CG1-CG 4.14Å; P201-Y407 HydrophobicContact CB-CD1 3.83Å; P201-Y407 HydrophobicContact CB-CE1 3.51Å; P201-Y407 WeakPolarHBondContact O-CE1 3.38Å; P201-Y407 PolarHBondContact O-OH 3.33Å; P201-I408 HydrophobicContact CG-CG1 4.27Å
202Y85.9Confident85.1Confident17 Ų1747.1 Ų47.17%0.06725%0.254CS..THydrogen-bonded Turntrans-96.80-172.9-57.9-69.8000114.5T200 I215 H404 Y407 A445 L446 F454T200-Y202 PolarHBondContact O-N 3.21Å; T200-Y202 VanDerWaalsContact O-N 3.17Å; Y202-I215 HydrophobicContact CD1-CG2 4.17Å; Y202-I215 HydrophobicContact CE1-CG2 3.93Å; Y202-H404 AromaticContact CE2-ND1 3.79Å; Y202-H404 AromaticContact CZ-ND1 3.73Å; Y202-H404 PolarHBondContact OH-ND1 2.84Å; Y202-Y407 HydrophobicContact CD1-CD1 4.24Å; Y202-Y407 AromaticContact CD1-CE1 3.85Å; Y202-Y407 HydrophobicContact CD1-CE1 3.85Å; Y202-Y407 AromaticContact CE1-CD1 3.58Å; Y202-Y407 HydrophobicContact CE1-CD1 3.58Å; Y202-Y407 AromaticContact CE1-CE1 3.67Å; Y202-Y407 HydrophobicContact CE1-CE1 3.67Å; Y202-Y407 AromaticContact CZ-CD1 3.82Å; Y202-A445 HydrophobicContact CD2-CB 3.9Å; Y202-A445 HydrophobicContact CE2-CB 3.56Å; Y202-L446 HydrophobicContact CD1-CD2 3.53Å; Y202-L446 HydrophobicContact CE1-CD2 3.43Å; Y202-L446 VanDerWaalsContact CE1-CD2 3.43Å; Y202-L446 HydrophobicContact CE1-CG 4.34Å; Y202-L446 HydrophobicContact CG-CD2 4.16Å; Y202-F454 HydrophobicContact CD2-CD1 4.04Å; Y202-F454 HydrophobicContact CE2-CD1 4.15Å; Y202-F454 HydrophobicContact CE2-CE1 4.47Å
203K80.3Confident84.8Confident111 Ų11150.1 Ų50.148%0.48326%0.262SS..SBendtrans-86.9161.9169.3-164.7171.3-178.4174.30109.4T200 N205 L212 P453T200-K203 PolarHBondContact O-N 2.73Å; K203-N205 VanDerWaalsContact C-N 3.3Å; K203-N205 PolarHBondContact O-N 3.47Å; K203-L212 WeakPolarHBondContact O-CD2 3.3Å; K203-P453 HydrophobicContact CD-CB 4.3Å
204S63.7Low84.5Confident108 Ų10850.3 Ų50.376%0.75526%0.261SS*.  trans-46.786.1-179.651.20000113.6
205N62.5Low84.1Confident28 Ų2846 Ų4615%0.1524%0.241CC..  trans-93.2107.5-179.2-170.7-13.8000107.9K203 L207 I208 S209 L212K203-N205 VanDerWaalsContact C-N 3.3Å; K203-N205 PolarHBondContact O-N 3.47Å; N205-L207 PolarHBondContact O-N 3.46Å; N205-L207 PolarHBondContact OD1-N 3.44Å; N205-L207 VanDerWaalsContact OD1-N 3.1Å; N205-I208 HydrophobicContact CB-CG1 4.38Å; N205-S209 WeakPolarHBondContact O-CA 3.43Å; N205-S209 PolarHBondContact O-N 3.16Å; N205-L212 HydrophobicContact CB-CD2 4.46Å
206K66.2Low83.7Confident191 Ų19149.1 Ų49.183%0.8326%0.256SS*.THydrogen-bonded Turntrans-65.1-21.8-178.9-68-174177.9-177.30113
207L68.3Low83.2Confident70 Ų7049.3 Ų49.337%0.36626%0.255SS..THydrogen-bonded Turntrans-85.8-25.3-169.5-63.5169.7000113.5N205 V414N205-L207 PolarHBondContact O-N 3.46Å; N205-L207 PolarHBondContact OD1-N 3.44Å; N205-L207 VanDerWaalsContact OD1-N 3.1Å; L207-V414 HydrophobicContact CB-CG1 3.45Å; L207-V414 VanDerWaalsContact CB-CG1 3.45Å; L207-V414 HydrophobicContact CD1-CG1 3.4Å; L207-V414 HydrophobicContact CG-CG1 3.99Å
208I78.3Confident82.9Confident0 Ų049.3 Ų49.30%026%0.255CS..SBendtrans-134.640.6177.854.1178.1000110.8N205 N210 L211 L212 F274 Y407 V410 V414N205-I208 HydrophobicContact CB-CG1 4.38Å; I208-N210 PolarHBondContact O-N 3.2Å; I208-L211 HydrophobicContact CB-CB 4.34Å; I208-L211 PolarHBondContact O-N 3.49Å; I208-L211 VanDerWaalsContact O-N 3.09Å; I208-L212 PolarHBondContact O-N 2.98Å; I208-L212 VanDerWaalsContact O-N 3.07Å; I208-F274 HydrophobicContact CG2-CB 4.11Å; I208-Y407 HydrophobicContact CD1-CD2 4.33Å; I208-Y407 HydrophobicContact CD1-CE2 3.51Å; I208-Y407 HydrophobicContact CG1-CE2 4.36Å; I208-V410 HydrophobicContact CD1-CG1 4.14Å; I208-V410 HydrophobicContact CG2-CG1 4.35Å; I208-V414 HydrophobicContact CG2-CG2 3.8Å
209S84.1Confident82.7Confident48 Ų4847.4 Ų47.434%0.33624%0.243SC..Hα-helixtrans-53.6-38.6-175.353.90000113.3N205 L211 L212 E213 N275N205-S209 WeakPolarHBondContact O-CA 3.43Å; N205-S209 PolarHBondContact O-N 3.16Å; S209-L211 PolarHBondContact O-N 3.18Å; S209-L212 PolarHBondContact O-N 3.25Å; S209-E213 WeakPolarHBondContact O-CB 3.37Å; S209-E213 PolarHBondContact O-N 3.45Å; S209-N275 PolarHBondContact OG-ND2 3.4Å
210N85.7Confident82.4Confident76 Ų7650.1 Ų50.141%0.40626%0.26SS..Hα-helixtrans-65.9-40.4-179-65.41.1000111.4I208 E213 E214I208-N210 PolarHBondContact O-N 3.2Å; N210-E213 PolarHBondContact O-N 3.17Å; N210-E214 VanDerWaalsContact O-CG 3.3Å; N210-E214 WeakPolarHBondContact O-CG 3.46Å; N210-E214 PolarHBondContact O-N 3.1Å
211L89Confident82.2Confident0 Ų047.7 Ų47.70%025%0.245CC..Hα-helixtrans-69.6-41.1178.7-168.764.7000110.8I208 S209 E214 I215 V367 D370 Y407 V410I208-L211 HydrophobicContact CB-CB 4.34Å; I208-L211 PolarHBondContact O-N 3.49Å; I208-L211 VanDerWaalsContact O-N 3.09Å; S209-L211 PolarHBondContact O-N 3.18Å; L211-E214 PolarHBondContact O-N 2.57Å; L211-I215 HydrophobicContact CG-CD1 4.48Å; L211-I215 WeakPolarHBondContact O-CG1 3.19Å; L211-I215 PolarHBondContact O-N 2.78Å; L211-V367 HydrophobicContact CD1-CG1 3.59Å; L211-V367 HydrophobicContact CG-CG1 4.4Å; L211-D370 HydrophobicContact CD1-CB 3.73Å; L211-Y407 HydrophobicContact CB-CE2 4.34Å; L211-Y407 HydrophobicContact CD2-CD2 3.57Å; L211-Y407 HydrophobicContact CD2-CE2 3.68Å; L211-Y407 HydrophobicContact CG-CD2 3.97Å; L211-Y407 HydrophobicContact CG-CE2 3.87Å; L211-V410 HydrophobicContact CD2-CG1 4.23Å
212L89.1Confident82.1Confident17 Ų1748 Ų489%0.08925%0.247CC..Hα-helixtrans-61.5-42.9174.1-179.958.7000111.5K203 N205 I208 S209 E214 I215 Q216K203-L212 WeakPolarHBondContact O-CD2 3.3Å; N205-L212 HydrophobicContact CB-CD2 4.46Å; I208-L212 PolarHBondContact O-N 2.98Å; I208-L212 VanDerWaalsContact O-N 3.07Å; S209-L212 PolarHBondContact O-N 3.25Å; L212-E214 PolarHBondContact O-N 2.77Å; L212-I215 PolarHBondContact O-N 2.98Å; L212-Q216 HydrophobicContact CD1-CG 4.32Å; L212-Q216 HydrophobicContact CG-CG 4.47Å; L212-Q216 WeakPolarHBondContact O-CG 3.47Å; L212-Q216 PolarHBondContact O-N 3.38Å
213E88.9Confident81.8Confident115 Ų11549.8 Ų49.854%0.53726%0.257SS..Hα-helixtrans-59.1-44.8177.2-173.6-179.1176.900111.8S209 N210 I215 Q216 I217S209-E213 WeakPolarHBondContact O-CB 3.37Å; S209-E213 PolarHBondContact O-N 3.45Å; N210-E213 PolarHBondContact O-N 3.17Å; E213-I215 VanDerWaalsContact C-N 3.35Å; E213-I215 PolarHBondContact O-N 2.88Å; E213-Q216 PolarHBondContact O-N 3.35Å; E213-I217 HydrophobicContact CG-CD1 4.42Å; E213-I217 WeakPolarHBondContact O-CG1 3.46Å; E213-I217 PolarHBondContact O-N 2.95Å
214E90.2Very high81.6Confident8 Ų846.4 Ų46.44%0.03724%0.244CC..Hα-helixtrans-61.6-42.3175.7-63.9-80.3-161.400112N210 L211 L212 Q216 I217 L218 W290 K294 K366 V367N210-E214 VanDerWaalsContact O-CG 3.3Å; N210-E214 WeakPolarHBondContact O-CG 3.46Å; N210-E214 PolarHBondContact O-N 3.1Å; L211-E214 PolarHBondContact O-N 2.57Å; L212-E214 PolarHBondContact O-N 2.77Å; E214-Q216 VanDerWaalsContact C-N 3.32Å; E214-Q216 PolarHBondContact O-N 2.95Å; E214-I217 PolarHBondContact O-N 3.34Å; E214-L218 WeakPolarHBondContact O-CG 3.37Å; E214-L218 PolarHBondContact O-N 3.44Å; E214-W290 PolarHBondContact OE2-NE1 3.27Å; E214-K294 IonicContact OE1-NZ 3.08Å; E214-K294 PolarHBondContact OE1-NZ 3.5Å; E214-K294 VanDerWaalsContact OE2-CD 3.25Å; E214-K294 WeakPolarHBondContact OE2-CD 3.36Å; E214-K294 IonicContact OE2-NZ 3.84Å; E214-K294 PolarHBondContact OE2-NZ 3.45Å; E214-K366 IonicContact OE1-NZ 3.98Å; E214-K366 PolarHBondContact OE1-NZ 2.85Å; E214-V367 HydrophobicContact CB-CG2 3.64Å; E214-V367 HydrophobicContact CG-CG2 4.46Å
215I90.4Very high82.3Confident1 Ų144.1 Ų44.11%0.00522%0.219CC..Hα-helixtrans-62.8-39.6175-69.7170.2000111Y202 L211 L212 E213 L218 K219 V367 L403 Y407 L446Y202-I215 HydrophobicContact CD1-CG2 4.17Å; Y202-I215 HydrophobicContact CE1-CG2 3.93Å; L211-I215 HydrophobicContact CG-CD1 4.48Å; L211-I215 WeakPolarHBondContact O-CG1 3.19Å; L211-I215 PolarHBondContact O-N 2.78Å; L212-I215 PolarHBondContact O-N 2.98Å; E213-I215 VanDerWaalsContact C-N 3.35Å; E213-I215 PolarHBondContact O-N 2.88Å; I215-L218 PolarHBondContact O-N 2.77Å; I215-K219 WeakPolarHBondContact O-CB 3.38Å; I215-K219 PolarHBondContact O-N 2.89Å; I215-V367 HydrophobicContact CD1-CG1 4.28Å; I215-V367 HydrophobicContact CG1-CG1 3.8Å; I215-L403 HydrophobicContact CG1-CD2 4.41Å; I215-Y407 HydrophobicContact CD1-CD1 3.77Å; I215-Y407 HydrophobicContact CD1-CD2 3.4Å; I215-Y407 HydrophobicContact CD1-CE1 3.89Å; I215-Y407 HydrophobicContact CD1-CE2 3.55Å; I215-Y407 HydrophobicContact CD1-CG 3.52Å; I215-L446 HydrophobicContact CG2-CD2 3.89Å
216Q88.5Confident82.9Confident66 Ų6647.5 Ų47.531%0.30823%0.23SC..Hα-helixtrans-67.7-38.2176.9-67.7-57.5-3000111.9L212 E213 E214 K219 V220L212-Q216 HydrophobicContact CD1-CG 4.32Å; L212-Q216 HydrophobicContact CG-CG 4.47Å; L212-Q216 WeakPolarHBondContact O-CG 3.47Å; L212-Q216 PolarHBondContact O-N 3.38Å; E213-Q216 PolarHBondContact O-N 3.35Å; E214-Q216 VanDerWaalsContact C-N 3.32Å; E214-Q216 PolarHBondContact O-N 2.95Å; Q216-K219 WeakPolarHBondContact O-CB 3.48Å; Q216-K219 PolarHBondContact O-N 3.21Å; Q216-V220 WeakPolarHBondContact O-CG2 3.27Å; Q216-V220 PolarHBondContact O-N 3.06Å
217I87.1Confident83Confident38 Ų3841.1 Ų41.120%0.19521%0.213CC..Hα-helixtrans-60-50.3171.9-67.4166.9000109.5E213 E214 K219 V220 K221 W290 K294E213-I217 HydrophobicContact CG-CD1 4.42Å; E213-I217 WeakPolarHBondContact O-CG1 3.46Å; E213-I217 PolarHBondContact O-N 2.95Å; E214-I217 PolarHBondContact O-N 3.34Å; I217-K219 VanDerWaalsContact C-N 3.31Å; I217-K219 PolarHBondContact O-N 3.45Å; I217-V220 PolarHBondContact O-N 3.37Å; I217-K221 HydrophobicContact CG2-CG 4.44Å; I217-K221 VanDerWaalsContact O-CG 3.32Å; I217-K221 WeakPolarHBondContact O-CG 3.3Å; I217-K221 PolarHBondContact O-N 2.96Å; I217-W290 HydrophobicContact CG2-CH2 4.05Å; I217-W290 HydrophobicContact CG2-CZ2 4.23Å; I217-K294 HydrophobicContact CD1-CD 4.02Å; I217-K294 HydrophobicContact CG2-CB 4.42Å
218L88.5Confident82.7Confident0 Ų041.3 Ų41.30%021%0.209CC..Hα-helixtrans-59.5-40.8177.4-77.5171.5000112.4E214 I215 K221 I222 W290 I360 L364 V367 W400 L403E214-L218 WeakPolarHBondContact O-CG 3.37Å; E214-L218 PolarHBondContact O-N 3.44Å; I215-L218 PolarHBondContact O-N 2.77Å; L218-K221 CarbonylContact O-C 3.39Å; L218-K221 PolarHBondContact O-N 2.62Å; L218-I222 WeakPolarHBondContact O-CG2 3.39Å; L218-I222 PolarHBondContact O-N 3.32Å; L218-W290 HydrophobicContact CD2-CH2 3.74Å; L218-W290 HydrophobicContact CD2-CZ2 4.3Å; L218-W290 HydrophobicContact CD2-CZ3 4.33Å; L218-W290 HydrophobicContact CG-CH2 4.12Å; L218-W290 HydrophobicContact CG-CZ2 4.26Å; L218-I360 HydrophobicContact CD2-CG2 4.44Å; L218-L364 HydrophobicContact CD1-CD2 4.22Å; L218-L364 HydrophobicContact CD1-CG 4.49Å; L218-L364 HydrophobicContact CD2-CG 4.49Å; L218-V367 HydrophobicContact CD1-CB 4.29Å; L218-V367 HydrophobicContact CD1-CG2 3.75Å; L218-W400 HydrophobicContact CB-CH2 3.46Å; L218-W400 VanDerWaalsContact CB-CH2 3.46Å; L218-W400 HydrophobicContact CB-CZ2 3.79Å; L218-W400 HydrophobicContact CD1-CH2 4.44Å; L218-L403 HydrophobicContact CD1-CD2 4.36Å
219K86.2Confident81.9Confident45 Ų4549.4 Ų49.420%0.19625%0.247CC..Hα-helixtrans-56.1-52.6173.9-179.6-175.7167.7-178.10110.6I215 Q216 I217 K221 I222 D223 L446I215-K219 WeakPolarHBondContact O-CB 3.38Å; I215-K219 PolarHBondContact O-N 2.89Å; Q216-K219 WeakPolarHBondContact O-CB 3.48Å; Q216-K219 PolarHBondContact O-N 3.21Å; I217-K219 VanDerWaalsContact C-N 3.31Å; I217-K219 PolarHBondContact O-N 3.45Å; K219-K221 VanDerWaalsContact C-N 3.26Å; K219-K221 PolarHBondContact O-N 3.41Å; K219-I222 WeakPolarHBondContact O-CG2 3.32Å; K219-I222 PolarHBondContact O-N 3.32Å; K219-D223 WeakPolarHBondContact O-CB 3.39Å; K219-D223 PolarHBondContact O-N 3.27Å; K219-L446 HydrophobicContact CD-CB 4.47Å; K219-L446 WeakPolarHBondContact CE-O 3.09Å; K219-L446 PolarHBondContact NZ-O 2.73Å
220V83.9Confident80.3Confident62 Ų6252.1 Ų52.138%0.37627%0.265SS..Hα-helixtrans-58.6-41.2177.5173.50000110.7Q216 I217 D223 L224 L236Q216-V220 WeakPolarHBondContact O-CG2 3.27Å; Q216-V220 PolarHBondContact O-N 3.06Å; I217-V220 PolarHBondContact O-N 3.37Å; V220-D223 PolarHBondContact O-N 2.85Å; V220-L224 HydrophobicContact CG1-CD1 3.84Å; V220-L224 WeakPolarHBondContact O-CB 3.29Å; V220-L224 VanDerWaalsContact O-CD1 3.22Å; V220-L224 WeakPolarHBondContact O-CD1 3.25Å; V220-L224 WeakPolarHBondContact O-CG 3.33Å; V220-L224 PolarHBondContact O-N 3.48Å; V220-L236 HydrophobicContact CG1-CD2 3.59Å
221K84Confident78.8Confident0 Ų055.5 Ų55.50%028%0.283CS..Hα-helixtrans-66.5-40.8177.4-62.9-62.3-176.9178.90113.2I217 L218 K219 D223 L224 Y225 L236 K294 S296 I356 L359 I360I217-K221 HydrophobicContact CG2-CG 4.44Å; I217-K221 VanDerWaalsContact O-CG 3.32Å; I217-K221 WeakPolarHBondContact O-CG 3.3Å; I217-K221 PolarHBondContact O-N 2.96Å; L218-K221 CarbonylContact O-C 3.39Å; L218-K221 PolarHBondContact O-N 2.62Å; K219-K221 VanDerWaalsContact C-N 3.26Å; K219-K221 PolarHBondContact O-N 3.41Å; K221-D223 VanDerWaalsContact C-N 3.32Å; K221-L224 HydrophobicContact CD-CD1 4.21Å; K221-L224 WeakPolarHBondContact O-CB 3.44Å; K221-L224 PolarHBondContact O-N 2.94Å; K221-Y225 WeakPolarHBondContact O-CB 3.41Å; K221-Y225 PolarHBondContact O-N 3.46Å; K221-L236 VanDerWaalsContact NZ-CD1 3.26Å; K221-K294 WeakPolarHBondContact CE-O 3.46Å; K221-S296 PolarHBondContact NZ-O 3.28Å; K221-I356 HydrophobicContact CB-CD1 4.46Å; K221-I356 HydrophobicContact CD-CD1 4.38Å; K221-I356 VanDerWaalsContact O-CD1 3.29Å; K221-I356 WeakPolarHBondContact O-CD1 3.34Å; K221-L359 HydrophobicContact CD-CD2 4.1Å; K221-I360 HydrophobicContact CB-CD1 4.32Å; K221-I360 HydrophobicContact CB-CG1 3.81Å
222I82.9Confident77.4Confident8 Ų858.2 Ų58.24%0.04130%0.302CS..Hα-helixtrans-68.8-33.7175.5-174.9159.2000111.6L218 K219 L224 Y225 R226 I360 W400 W442L218-I222 WeakPolarHBondContact O-CG2 3.39Å; L218-I222 PolarHBondContact O-N 3.32Å; K219-I222 WeakPolarHBondContact O-CG2 3.32Å; K219-I222 PolarHBondContact O-N 3.32Å; I222-L224 VanDerWaalsContact C-N 3.33Å; I222-Y225 PolarHBondContact O-N 3.33Å; I222-R226 HydrophobicContact CG1-CG 4.45Å; I222-R226 WeakPolarHBondContact O-CB 3.38Å; I222-R226 WeakPolarHBondContact O-CG 3.49Å; I222-R226 PolarHBondContact O-N 3.49Å; I222-I360 HydrophobicContact CB-CD1 4.44Å; I222-W400 HydrophobicContact CB-CZ2 4.13Å; I222-W400 HydrophobicContact CD1-CG 4.49Å; I222-W400 HydrophobicContact CD1-CZ2 4.34Å; I222-W400 HydrophobicContact CG2-CH2 4.5Å; I222-W400 HydrophobicContact CG2-CZ2 3.84Å; I222-W442 HydrophobicContact CD1-CH2 4.07Å; I222-W442 HydrophobicContact CD1-CZ3 4.18Å
223D80.5Confident76.3Confident54 Ų5461.9 Ų61.929%0.28933%0.327SS..Hα-helixtrans-64.9-43.5175.2-65.7-6.9000110.5K219 V220 K221 R226 A227 Y447K219-D223 WeakPolarHBondContact O-CB 3.39Å; K219-D223 PolarHBondContact O-N 3.27Å; V220-D223 PolarHBondContact O-N 2.85Å; K221-D223 VanDerWaalsContact C-N 3.32Å; D223-R226 PolarHBondContact O-N 3.27Å; D223-A227 VanDerWaalsContact O-CB 3.26Å; D223-A227 WeakPolarHBondContact O-CB 3.38Å; D223-A227 PolarHBondContact O-N 2.81Å; D223-Y447 WeakPolarHBondContact OD1-CE1 3.45Å; D223-Y447 PolarHBondContact OD1-OH 3.28Å
224L76.4Confident75.4Confident40 Ų4060 Ų6021%0.20932%0.323CS..Hα-helixtrans-63-42.5171.7-69.8157.2000111.6V220 K221 I222 A227 Y228 W235 I356V220-L224 HydrophobicContact CG1-CD1 3.84Å; V220-L224 WeakPolarHBondContact O-CB 3.29Å; V220-L224 VanDerWaalsContact O-CD1 3.22Å; V220-L224 WeakPolarHBondContact O-CD1 3.25Å; V220-L224 WeakPolarHBondContact O-CG 3.33Å; V220-L224 PolarHBondContact O-N 3.48Å; K221-L224 HydrophobicContact CD-CD1 4.21Å; K221-L224 WeakPolarHBondContact O-CB 3.44Å; K221-L224 PolarHBondContact O-N 2.94Å; I222-L224 VanDerWaalsContact C-N 3.33Å; L224-A227 CarbonylContact O-C 3.59Å; L224-A227 PolarHBondContact O-N 2.72Å; L224-Y228 WeakPolarHBondContact O-CA 3.34Å; L224-Y228 WeakPolarHBondContact O-CB 3.34Å; L224-Y228 PolarHBondContact O-N 3.13Å; L224-W235 HydrophobicContact CD1-CB 4.16Å; L224-W235 WeakPolarHBondContact CD1-O 3.36Å; L224-W235 WeakPolarHBondContact CD2-O 3.42Å; L224-I356 HydrophobicContact CB-CD1 3.65Å
225Y78.5Confident74.5Confident60 Ų6060 Ų6024%0.23532%0.323CS..Hα-helixtrans-60.8-45.5177.4172.4-115.6000111.7K221 I222 A227 Y228 E229 I356 E357 I360 L396K221-Y225 WeakPolarHBondContact O-CB 3.41Å; K221-Y225 PolarHBondContact O-N 3.46Å; I222-Y225 PolarHBondContact O-N 3.33Å; Y225-A227 VanDerWaalsContact C-N 3.32Å; Y225-A227 PolarHBondContact O-N 2.95Å; Y225-Y228 PolarHBondContact O-N 3.46Å; Y225-Y228 VanDerWaalsContact O-N 3.13Å; Y225-E229 PolarHBondContact O-N 3.39Å; Y225-I356 HydrophobicContact CD2-CG2 3.48Å; Y225-I356 VanDerWaalsContact CD2-CG2 3.48Å; Y225-I356 HydrophobicContact CE2-CG2 4.44Å; Y225-I356 HydrophobicContact CG-CG2 4.11Å; Y225-E357 HydrophobicContact CD2-CG 3.81Å; Y225-E357 HydrophobicContact CE2-CG 3.16Å; Y225-E357 WeakPolarHBondContact CE2-OE1 3.37Å; Y225-E357 VanDerWaalsContact CZ-OE1 3.23Å; Y225-E357 PolarHBondContact OH-OE1 3.13Å; Y225-I360 HydrophobicContact CG-CD1 4.1Å; Y225-L396 HydrophobicContact CE1-CD1 4.24Å
226R74Confident73.5Confident98 Ų9862 Ų6237%0.3733%0.333SS..Hα-helixtrans-63-37.4173.8-71.6177.4177.8178.65.8112.3I222 D223 Y447I222-R226 HydrophobicContact CG1-CG 4.45Å; I222-R226 WeakPolarHBondContact O-CB 3.38Å; I222-R226 WeakPolarHBondContact O-CG 3.49Å; I222-R226 PolarHBondContact O-N 3.49Å; D223-R226 PolarHBondContact O-N 3.27Å; R226-Y447 PolarHBondContact NH1-OH 3.28Å
227A68Low72Confident57 Ų5763.3 Ų63.347%0.47136%0.355SS..Hα-helixtrans-76.5-22.2174.300000113.1D223 L224 Y225 C230D223-A227 VanDerWaalsContact O-CB 3.26Å; D223-A227 WeakPolarHBondContact O-CB 3.38Å; D223-A227 PolarHBondContact O-N 2.81Å; L224-A227 CarbonylContact O-C 3.59Å; L224-A227 PolarHBondContact O-N 2.72Å; Y225-A227 VanDerWaalsContact C-N 3.32Å; Y225-A227 PolarHBondContact O-N 2.95Å; A227-C230 WeakPolarHBondContact O-CA 3.34Å; A227-C230 WeakPolarHBondContact O-CB 3.49Å; A227-C230 PolarHBondContact O-N 3.08Å
228Y63.3Low70.6Confident74 Ų7469 Ų6929%0.2939%0.386SS..Hα-helixtrans-81.4-14.4-175.5-177.2-101.1000112.7L224 Y225 C230 D231 S232L224-Y228 WeakPolarHBondContact O-CA 3.34Å; L224-Y228 WeakPolarHBondContact O-CB 3.34Å; L224-Y228 PolarHBondContact O-N 3.13Å; Y225-Y228 PolarHBondContact O-N 3.46Å; Y225-Y228 VanDerWaalsContact O-N 3.13Å; Y228-C230 PolarHBondContact O-N 3.21Å; Y228-D231 PolarHBondContact O-N 3.43Å; Y228-D231 VanDerWaalsContact O-N 3.1Å; Y228-S232 WeakPolarHBondContact CD2-O 3.22Å; Y228-S232 WeakPolarHBondContact CE2-O 3.44Å
229E60.2Low69.6Low170 Ų17070.8 Ų70.879%0.79440%0.398SS*.THydrogen-bonded Turntrans-51.3-12.3153.3-69.2-167.2161.200112.1Y225Y225-E229 PolarHBondContact O-N 3.39Å
230C51.6Low69Low105 Ų10575.2 Ų75.271%0.70943%0.429SS*.THydrogen-bonded Turntrans-109.629.2173.2-48.90000116.5A227 Y228A227-C230 WeakPolarHBondContact O-CA 3.34Å; A227-C230 WeakPolarHBondContact O-CB 3.49Å; A227-C230 PolarHBondContact O-N 3.08Å; Y228-C230 PolarHBondContact O-N 3.21Å
231D54.2Low68.8Low147 Ų14773.6 Ų73.679%0.78642%0.419SS*.  trans66.938.4164-85.2-26.4000119.1Y228Y228-D231 PolarHBondContact O-N 3.43Å; Y228-D231 VanDerWaalsContact O-N 3.1Å
232S60.1Low68.9Low57 Ų5777.2 Ų77.240%0.39944%0.438SS..  trans-97.1121.7172.8179.30000114.5Y228 V234Y228-S232 WeakPolarHBondContact CD2-O 3.22Å; Y228-S232 WeakPolarHBondContact CE2-O 3.44Å; S232-V234 VanDerWaalsContact C-N 3.31Å; S232-V234 PolarHBondContact O-N 3.42Å; S232-V234 PolarHBondContact OG-O 3.36Å
233P65.3Low69.2Low94 Ų9478.1 Ų78.161%0.6145%0.445SS*.  trans-74.5-14.6179.728.9-33.7000114.8N298P233-N298 WeakPolarHBondContact O-CB 3.28Å
234V69.3Low69.6Low76 Ų7683 Ų8346%0.46147%0.466SS..BIsolated β-bridgetrans-101124-174.8-1770000110.1S232S232-V234 VanDerWaalsContact C-N 3.31Å; S232-V234 PolarHBondContact O-N 3.42Å; S232-V234 PolarHBondContact OG-O 3.36Å
235W71.7Confident70.3Confident8 Ų886.4 Ų86.43%0.0348%0.481CS..SBendtrans-91.7-46.5177.1-57.4-16.4000111.4L224 P297 K299 F302 I356 L359L224-W235 HydrophobicContact CD1-CB 4.16Å; L224-W235 WeakPolarHBondContact CD1-O 3.36Å; L224-W235 WeakPolarHBondContact CD2-O 3.42Å; W235-P297 WeakPolarHBondContact CA-O 3.39Å; W235-P297 WeakPolarHBondContact CB-O 3.09Å; W235-P297 PolarHBondContact N-O 3.3Å; W235-K299 VanDerWaalsContact CH2-CA 3.47Å; W235-K299 HydrophobicContact CH2-CB 4.03Å; W235-K299 HydrophobicContact CH2-CG 4.29Å; W235-K299 HydrophobicContact CZ2-CB 3.46Å; W235-K299 VanDerWaalsContact CZ2-CB 3.46Å; W235-K299 HydrophobicContact CZ2-CG 3.89Å; W235-F302 HydrophobicContact CH2-CB 3.93Å; W235-F302 AromaticContact CH2-CD1 3.76Å; W235-F302 HydrophobicContact CH2-CD1 3.76Å; W235-F302 HydrophobicContact CH2-CG 4.1Å; W235-F302 HydrophobicContact CZ3-CB 3.49Å; W235-F302 VanDerWaalsContact CZ3-CB 3.49Å; W235-F302 HydrophobicContact CZ3-CD1 4.03Å; W235-F302 AromaticContact CZ3-CG 3.89Å; W235-F302 HydrophobicContact CZ3-CG 3.89Å; W235-I356 HydrophobicContact CD2-CD1 4.38Å; W235-I356 HydrophobicContact CG-CD1 4.26Å; W235-I356 HydrophobicContact CH2-CB 4.27Å; W235-I356 HydrophobicContact CZ2-CB 3.75Å; W235-I356 HydrophobicContact CZ2-CG1 4.47Å; W235-L359 HydrophobicContact CE3-CD2 3.98Å; W235-L359 HydrophobicContact CZ3-CD2 3.65Å
236L69Low70.9Confident44 Ų4484.2 Ų84.223%0.2347%0.474CS..  trans-136.7119.1178.7-67.1167.2000109.5V220 K221 N238 P297V220-L236 HydrophobicContact CG1-CD2 3.59Å; K221-L236 VanDerWaalsContact NZ-CD1 3.26Å; L236-N238 PolarHBondContact O-N 2.95Å; L236-P297 PolarHBondContact N-O 3.32Å; L236-P297 WeakPolarHBondContact O-CB 3.46Å
237A57.7Low71.6Confident92 Ų9283.3 Ų83.376%0.7647%0.473SS*.THydrogen-bonded Turntrans-66-23.9-176.600000113.9
238N57.7Low72.7Confident157 Ų15784.2 Ų84.284%0.8448%0.48SS*.THydrogen-bonded Turntrans-123.811.8-166.3-63.5-22.6000114.9L236L236-N238 PolarHBondContact O-N 2.95Å
239S67.7Low74.1Confident38 Ų3884.8 Ų84.827%0.26649%0.485SS..  trans-100132.1178.8-174.30000111.4G295 P297S239-G295 WeakPolarHBondContact CB-O 3.47Å; S239-G295 PolarHBondContact OG-O 3.4Å; S239-P297 WeakPolarHBondContact O-CB 3.38Å
240V72.2Confident75.6Confident139 Ų13976.9 Ų76.984%0.84245%0.448SS*.  trans-111.285-179.3-171.30000108.4
241V80.8Confident77.4Confident27 Ų2774.6 Ų74.616%0.16443%0.432CS..  trans-89.4114.9164.2175.10000107.5V246 G295 T301V241-V246 HydrophobicContact CG1-CG2 3.81Å; V241-G295 WeakPolarHBondContact CG2-O 3.43Å; V241-T301 HydrophobicContact CB-CG2 4.13Å; V241-T301 HydrophobicContact CG1-CG2 4.14Å
242N86Confident79Confident76 Ų7673.2 Ų73.241%0.40643%0.425SS..  trans-91.9114.1173.1-178.3-15.3000109.8E244 Q245 V246N242-E244 VanDerWaalsContact C-N 3.26Å; N242-E244 PolarHBondContact O-N 3.35Å; N242-E244 PolarHBondContact OD1-N 2.62Å; N242-Q245 HydrophobicContact CB-CB 3.99Å; N242-Q245 PolarHBondContact O-N 2.96Å; N242-V246 WeakPolarHBondContact O-CG2 3.09Å; N242-V246 PolarHBondContact O-N 3.19Å
243C88.3Confident80.3Confident27 Ų2771.7 Ų71.718%0.18241%0.412CS..Hα-helixtrans-55.6-37.6179.8-64.30000113.5K247 T304C243-K247 WeakPolarHBondContact O-CB 3.41Å; C243-K247 PolarHBondContact O-N 2.75Å; C243-T304 HydrophobicContact CB-CG2 4.05Å
244E90.6Very high81.4Confident156 Ų15667.2 Ų67.273%0.72938%0.383SS*.Hα-helixtrans-70.2-40.9-179.3-64.7-175.416500111.3N242 K247 A248N242-E244 VanDerWaalsContact C-N 3.26Å; N242-E244 PolarHBondContact O-N 3.35Å; N242-E244 PolarHBondContact OD1-N 2.62Å; E244-K247 PolarHBondContact O-N 2.99Å; E244-A248 WeakPolarHBondContact O-CB 3.38Å; E244-A248 PolarHBondContact O-N 2.92Å
245Q91Very high81.9Confident113 Ų11370.9 Ų70.953%0.52839%0.392SS..Hα-helixtrans-64.1-46.5175.7-175.7179.7-8.200110.9N242 K247 A248 E249N242-Q245 HydrophobicContact CB-CB 3.99Å; N242-Q245 PolarHBondContact O-N 2.96Å; Q245-K247 VanDerWaalsContact C-N 3.3Å; Q245-K247 PolarHBondContact O-N 2.79Å; Q245-A248 PolarHBondContact O-N 2.83Å; Q245-E249 PolarHBondContact NE2-OE1 2.83Å; Q245-E249 WeakPolarHBondContact O-CG 3.33Å; Q245-E249 PolarHBondContact O-N 3.21Å; Q245-E249 VanDerWaalsContact O-N 3.09Å
246V89.3Confident81.7Confident14 Ų1474.4 Ų74.49%0.08542%0.419CS..Hα-helixtrans-57.9-44.6175.6171.10000110.7V241 N242 A248 E249 F250 A292 C305V241-V246 HydrophobicContact CG1-CG2 3.81Å; N242-V246 WeakPolarHBondContact O-CG2 3.09Å; N242-V246 PolarHBondContact O-N 3.19Å; V246-A248 VanDerWaalsContact C-N 3.34Å; V246-A248 PolarHBondContact O-N 3.07Å; V246-E249 PolarHBondContact O-N 3.36Å; V246-E249 VanDerWaalsContact O-N 3.15Å; V246-F250 HydrophobicContact CG1-CD1 4.46Å; V246-F250 HydrophobicContact CG1-CE1 3.59Å; V246-F250 HydrophobicContact CG1-CZ 4.02Å; V246-F250 WeakPolarHBondContact O-CD1 3.4Å; V246-F250 PolarHBondContact O-N 3.28Å; V246-A292 HydrophobicContact CG1-CB 4.06Å; V246-C305 HydrophobicContact CG1-CB 4.47Å
247K90.3Very high81.5Confident79 Ų7972.7 Ų72.734%0.34341%0.41SS..Hα-helixtrans-61.5-40.6177.5-171.6173.3-167.61590112.4C243 E244 Q245 E249 F250 N308 E311C243-K247 WeakPolarHBondContact O-CB 3.41Å; C243-K247 PolarHBondContact O-N 2.75Å; E244-K247 PolarHBondContact O-N 2.99Å; Q245-K247 VanDerWaalsContact C-N 3.3Å; Q245-K247 PolarHBondContact O-N 2.79Å; K247-E249 VanDerWaalsContact C-N 3.26Å; K247-E249 PolarHBondContact O-N 3.39Å; K247-F250 HydrophobicContact CB-CD2 4.33Å; K247-F250 HydrophobicContact CB-CE2 4.01Å; K247-F250 HydrophobicContact CG-CD2 4.03Å; K247-F250 HydrophobicContact CG-CE2 3.87Å; K247-F250 WeakPolarHBondContact O-CD2 3.49Å; K247-F250 PolarHBondContact O-N 3.05Å; K247-N308 HydrophobicContact CD-CB 4.15Å; K247-N308 HydrophobicContact CG-CB 4.34Å; K247-N308 PolarHBondContact NZ-OD1 2.72Å; K247-E311 IonicContact NZ-OE2 2.81Å; K247-E311 PolarHBondContact NZ-OE2 2.87Å
248A91.3Very high81.4Confident75 Ų7574.1 Ų74.162%0.6240%0.399SS*.Hα-helixtrans-65.9-27.917700000113E244 Q245 V246 P251E244-A248 WeakPolarHBondContact O-CB 3.38Å; E244-A248 PolarHBondContact O-N 2.92Å; Q245-A248 PolarHBondContact O-N 2.83Å; V246-A248 VanDerWaalsContact C-N 3.34Å; V246-A248 PolarHBondContact O-N 3.07Å; A248-P251 WeakPolarHBondContact O-CD 3.23Å
249E91.8Very high81Confident86 Ų8673.1 Ų73.140%0.40239%0.393SS..Hα-helixtrans-84.4-11179.6-71.9-178.5-169.200114Q245 V246 K247 P251 N252 I253Q245-E249 PolarHBondContact NE2-OE1 2.83Å; Q245-E249 WeakPolarHBondContact O-CG 3.33Å; Q245-E249 PolarHBondContact O-N 3.21Å; Q245-E249 VanDerWaalsContact O-N 3.09Å; V246-E249 PolarHBondContact O-N 3.36Å; V246-E249 VanDerWaalsContact O-N 3.15Å; K247-E249 VanDerWaalsContact C-N 3.26Å; K247-E249 PolarHBondContact O-N 3.39Å; E249-P251 VanDerWaalsContact C-CD 3.42Å; E249-N252 WeakPolarHBondContact O-CA 3.36Å; E249-N252 WeakPolarHBondContact O-CB 3.39Å; E249-N252 PolarHBondContact O-N 3.04Å; E249-I253 HydrophobicContact CB-CD1 3.78Å; E249-I253 HydrophobicContact CB-CG1 4.22Å; E249-I253 WeakPolarHBondContact O-CG1 3.35Å; E249-I253 PolarHBondContact O-N 3.41Å
250F91.6Very high79.7Confident4 Ų477.4 Ų77.42%0.01841%0.413CS..Hα-helixtrans-51.2-41.4-178.9-69.5-26.8000115.7V246 K247 N252 I253 F254 N308 A309 Y312V246-F250 HydrophobicContact CG1-CD1 4.46Å; V246-F250 HydrophobicContact CG1-CE1 3.59Å; V246-F250 HydrophobicContact CG1-CZ 4.02Å; V246-F250 WeakPolarHBondContact O-CD1 3.4Å; V246-F250 PolarHBondContact O-N 3.28Å; K247-F250 HydrophobicContact CB-CD2 4.33Å; K247-F250 HydrophobicContact CB-CE2 4.01Å; K247-F250 HydrophobicContact CG-CD2 4.03Å; K247-F250 HydrophobicContact CG-CE2 3.87Å; K247-F250 WeakPolarHBondContact O-CD2 3.49Å; K247-F250 PolarHBondContact O-N 3.05Å; F250-N252 PolarHBondContact O-N 2.89Å; F250-I253 HydrophobicContact CD1-CD1 3.96Å; F250-I253 PolarHBondContact O-N 3.18Å; F250-F254 HydrophobicContact CB-CD2 4.01Å; F250-F254 HydrophobicContact CB-CE2 4.08Å; F250-F254 HydrophobicContact CD1-CD2 4.48Å; F250-F254 AromaticContact CD1-CE2 3.81Å; F250-F254 HydrophobicContact CD1-CE2 3.81Å; F250-F254 HydrophobicContact CE1-CE2 4.46Å; F250-F254 HydrophobicContact CG-CD2 4.43Å; F250-F254 AromaticContact CG-CE2 4Å; F250-F254 HydrophobicContact CG-CE2 4Å; F250-F254 WeakPolarHBondContact O-CD2 3.42Å; F250-F254 PolarHBondContact O-N 2.56Å; F250-N308 HydrophobicContact CE2-CB 3.75Å; F250-N308 WeakPolarHBondContact CE2-O 3.31Å; F250-N308 HydrophobicContact CZ-CB 4.02Å; F250-A309 HydrophobicContact CE1-CB 4.05Å; F250-A309 HydrophobicContact CE2-CB 4.25Å; F250-A309 HydrophobicContact CZ-CB 3.74Å; F250-Y312 HydrophobicContact CB-CD1 3.94Å; F250-Y312 HydrophobicContact CB-CD2 3.9Å; F250-Y312 HydrophobicContact CB-CE1 4.07Å; F250-Y312 HydrophobicContact CB-CE2 3.99Å; F250-Y312 HydrophobicContact CB-CG 3.87Å; F250-Y312 HydrophobicContact CD2-CD2 4.16Å; F250-Y312 AromaticContact CD2-CG 3.91Å; F250-Y312 HydrophobicContact CD2-CG 3.91Å; F250-Y312 HydrophobicContact CG-CG 4.28Å
251P89.9Confident78.1Confident57 Ų5780.2 Ų80.237%0.3741%0.414SS..Hα-helixtrans-56-35173.1-23.833.9000113.7A248 E249 K255 Y312A248-P251 WeakPolarHBondContact O-CD 3.23Å; E249-P251 VanDerWaalsContact C-CD 3.42Å; P251-K255 WeakPolarHBondContact O-CB 3.43Å; P251-K255 PolarHBondContact O-N 3.27Å; P251-Y312 VanDerWaalsContact CA-OH 3.26Å; P251-Y312 WeakPolarHBondContact CA-OH 3.4Å; P251-Y312 HydrophobicContact CG-CE2 4.01Å
252N88.4Confident76.3Confident118 Ų11883.1 Ų83.163%0.63143%0.431SS*.Hα-helixtrans-81-41.6177.1-65.2-29.8000111.5E249 F250 F254 S256E249-N252 WeakPolarHBondContact O-CA 3.36Å; E249-N252 WeakPolarHBondContact O-CB 3.39Å; E249-N252 PolarHBondContact O-N 3.04Å; F250-N252 PolarHBondContact O-N 2.89Å; N252-F254 PolarHBondContact O-N 2.73Å; N252-S256 PolarHBondContact O-N 3.16Å
253I87.1Confident74Confident26 Ų2686.8 Ų86.813%0.13345%0.451CS..Hα-helixtrans-59.4-45.4179.5-67.1165.2000110.9E249 F250 S256 V257 A288 A292E249-I253 HydrophobicContact CB-CD1 3.78Å; E249-I253 HydrophobicContact CB-CG1 4.22Å; E249-I253 WeakPolarHBondContact O-CG1 3.35Å; E249-I253 PolarHBondContact O-N 3.41Å; F250-I253 HydrophobicContact CD1-CD1 3.96Å; F250-I253 PolarHBondContact O-N 3.18Å; I253-S256 PolarHBondContact O-OG 3.38Å; I253-V257 WeakPolarHBondContact O-CG2 3.44Å; I253-A288 HydrophobicContact CG2-CB 3.85Å; I253-A292 HydrophobicContact CD1-CB 4.03Å
254F87.3Confident71.9Confident0 Ų095 Ų950%048%0.478CS..Hα-helixtrans-91.4-21-176-65.3-65.3000114.3F250 N252 S256 V257 I289 A309 Y312 L313 L319F250-F254 HydrophobicContact CB-CD2 4.01Å; F250-F254 HydrophobicContact CB-CE2 4.08Å; F250-F254 HydrophobicContact CD1-CD2 4.48Å; F250-F254 AromaticContact CD1-CE2 3.81Å; F250-F254 HydrophobicContact CD1-CE2 3.81Å; F250-F254 HydrophobicContact CE1-CE2 4.46Å; F250-F254 HydrophobicContact CG-CD2 4.43Å; F250-F254 AromaticContact CG-CE2 4Å; F250-F254 HydrophobicContact CG-CE2 4Å; F250-F254 WeakPolarHBondContact O-CD2 3.42Å; F250-F254 PolarHBondContact O-N 2.56Å; N252-F254 PolarHBondContact O-N 2.73Å; F254-S256 VanDerWaalsContact C-N 3.32Å; F254-S256 PolarHBondContact O-N 3.43Å; F254-V257 WeakPolarHBondContact O-CB 3.18Å; F254-V257 WeakPolarHBondContact O-CG2 3.4Å; F254-V257 PolarHBondContact O-N 3.28Å; F254-I289 HydrophobicContact CE1-CD1 4.38Å; F254-I289 HydrophobicContact CE1-CG1 4.1Å; F254-I289 HydrophobicContact CZ-CD1 4.17Å; F254-I289 HydrophobicContact CZ-CG1 3.82Å; F254-A309 HydrophobicContact CE2-CB 4.48Å; F254-A309 HydrophobicContact CZ-CB 4.22Å; F254-Y312 HydrophobicContact CB-CE1 4.49Å; F254-Y312 AromaticContact CD2-CD1 3.73Å; F254-Y312 HydrophobicContact CD2-CD1 3.73Å; F254-Y312 AromaticContact CD2-CE1 3.75Å; F254-Y312 HydrophobicContact CD2-CE1 3.75Å; F254-Y312 HydrophobicContact CE2-CD1 4.06Å; F254-L313 HydrophobicContact CD1-CD2 3.97Å; F254-L313 HydrophobicContact CD2-CD2 4.06Å; F254-L313 HydrophobicContact CE1-CD1 3.85Å; F254-L313 HydrophobicContact CE1-CD2 4.12Å; F254-L313 HydrophobicContact CE1-CG 4.37Å; F254-L313 HydrophobicContact CE2-CD1 4.32Å; F254-L313 HydrophobicContact CE2-CD2 4.2Å; F254-L313 HydrophobicContact CE2-CG 4.18Å; F254-L313 HydrophobicContact CG-CD2 3.96Å; F254-L313 HydrophobicContact CZ-CD1 3.74Å; F254-L313 HydrophobicContact CZ-CD2 4.23Å; F254-L313 HydrophobicContact CZ-CG 4.11Å; F254-L319 HydrophobicContact CB-CB 4.19Å; F254-L319 HydrophobicContact CB-CD1 4.09Å
255K80.4Confident69.8Low152 Ų15290.1 Ų90.166%0.66146%0.46SS*.Hα-helixtrans-69.7-30.2174.9-176.6178.1-179.5-176.20112.6P251 V257P251-K255 WeakPolarHBondContact O-CB 3.43Å; P251-K255 PolarHBondContact O-N 3.27Å; K255-V257 PolarHBondContact O-N 3.15Å
256S67.9Low67.4Low83 Ų8391.4 Ų91.458%0.5847%0.471SS*.THydrogen-bonded Turntrans-67.5-15.1176.665.10000113.6N252 I253 F254 K258N252-S256 PolarHBondContact O-N 3.16Å; I253-S256 PolarHBondContact O-OG 3.38Å; F254-S256 VanDerWaalsContact C-N 3.32Å; F254-S256 PolarHBondContact O-N 3.43Å; S256-K258 VanDerWaalsContact C-N 3.31Å; S256-K258 PolarHBondContact O-N 2.67Å
257V63.5Low65.3Low7 Ų792.3 Ų92.34%0.04248%0.483CS..THydrogen-bonded Turntrans-78-12.4-176.5-169.80000112.1I253 F254 K255 L259 L283 A288 H321I253-V257 WeakPolarHBondContact O-CG2 3.44Å; F254-V257 WeakPolarHBondContact O-CB 3.18Å; F254-V257 WeakPolarHBondContact O-CG2 3.4Å; F254-V257 PolarHBondContact O-N 3.28Å; K255-V257 PolarHBondContact O-N 3.15Å; V257-L259 PolarHBondContact O-N 3.17Å; V257-L283 WeakPolarHBondContact CG1-O 3.2Å; V257-A288 HydrophobicContact CG2-CB 4.32Å; V257-H321 HydrophobicContact CG1-CB 3.6Å; V257-H321 PolarHBondContact O-CD2 3.21Å
258K55.4Low63.1Low122 Ų12298.3 Ų98.353%0.5350%0.503SS..  trans-61.8136.1-174.6-81.6-169.2176.9-173.80114.9S256 N260 K282S256-K258 VanDerWaalsContact C-N 3.31Å; S256-K258 PolarHBondContact O-N 2.67Å; K258-N260 PolarHBondContact O-N 3.3Å; K258-N260 VanDerWaalsContact O-N 3.08Å; K258-K282 PolarHBondContact O-NZ 2.92Å
259L50.7Low61Low136 Ų13695.1 Ų95.171%0.71248%0.476SS*.  trans-81.778.4-174-145.2148.4000112.4V257V257-L259 PolarHBondContact O-N 3.17Å
260N40.8Very low58.8Low129 Ų12994 Ų9469%0.6948%0.477SS*.  trans-68.9128148.2-70.5-10.3000107.7K258 V262 K282K258-N260 PolarHBondContact O-N 3.3Å; K258-N260 VanDerWaalsContact O-N 3.08Å; N260-V262 PolarHBondContact O-N 3.32Å; N260-K282 PolarHBondContact O-NZ 3.3Å
261K38.2Very low57Low197 Ų19797.8 Ų97.886%0.85752%0.518SS*.  trans-43.9115.8171.9-72.4179.5177.61790108.1D263K261-D263 PolarHBondContact O-N 2.84Å
262V43.1Very low55.7Low89 Ų8997.7 Ų97.754%0.53952%0.516SS..  trans-74.7114.4-177.5174.40000107.4N260 R264 K282N260-V262 PolarHBondContact O-N 3.32Å; V262-R264 PolarHBondContact O-N 3.13Å; V262-R264 VanDerWaalsContact O-N 3.13Å; V262-K282 HydrophobicContact CG2-CD 4.17Å
263D37.1Very low55Low153 Ų15396.7 Ų96.782%0.81851%0.511SS*.  trans-57.7112.6155.4-72.2-37.6000105.8K261K261-D263 PolarHBondContact O-N 2.84Å
264R43.8Very low54.6Low199 Ų19996.4 Ų96.475%0.75151%0.509SS*.  trans-49.1131.7169.9-73.5176.4171.6172.6-5.9106.4V262 D266V262-R264 PolarHBondContact O-N 3.13Å; V262-R264 VanDerWaalsContact O-N 3.13Å; R264-D266 PolarHBondContact O-N 3.21Å
265P46.8Very low54.3Low54 Ų5497.8 Ų97.835%0.35152%0.516SS..  trans-53.7117.2174.720.7-30.4000107.1G267 L277P265-G267 PolarHBondContact O-N 2.82Å; P265-L277 HydrophobicContact CB-CD1 4.22Å; P265-L277 HydrophobicContact CG-CD1 4.24Å
266D40.7Very low54.3Low140 Ų14095.1 Ų95.175%0.74951%0.505SS*.  trans-61.675-172.5-91.9-26.7000110.5R264 R268R264-D266 PolarHBondContact O-N 3.21Å; D266-R268 WeakPolarHBondContact O-CB 3Å; D266-R268 VanDerWaalsContact O-CG 3.28Å; D266-R268 WeakPolarHBondContact O-CG 3.35Å; D266-R268 PolarHBondContact O-N 2.94Å
267G44.9Very low55Low33 Ų3391.5 Ų91.534%0.3448%0.48SS..SBendtrans47.18.5166.900000118.7P265 A269 K422P265-G267 PolarHBondContact O-N 2.82Å; G267-A269 VanDerWaalsContact C-N 3.3Å; G267-A269 PolarHBondContact O-N 3.48Å; G267-K422 PolarHBondContact O-NZ 2.76Å
268R43.6Very low56Low205 Ų20592.1 Ų92.177%0.77448%0.483SS*.  trans-94.234.7-172.4-77-174.2-155.2-156.76.5110.1D266 C270 V272D266-R268 WeakPolarHBondContact O-CB 3Å; D266-R268 VanDerWaalsContact O-CG 3.28Å; D266-R268 WeakPolarHBondContact O-CG 3.35Å; D266-R268 PolarHBondContact O-N 2.94Å; R268-C270 PolarHBondContact O-N 3Å; R268-V272 WeakPolarHBondContact O-CG2 3.17Å
269A47.8Very low57.4Low7 Ų790.6 Ų90.66%0.05849%0.488CS..  trans-77.7-7.5-178.200000113.5G267 G271 M378G267-A269 VanDerWaalsContact C-N 3.3Å; G267-A269 PolarHBondContact O-N 3.48Å; A269-G271 PolarHBondContact O-N 3.32Å; A269-G271 VanDerWaalsContact O-N 3.16Å; A269-M378 HydrophobicContact CB-CE 3.28Å; A269-M378 HydrophobicContact CB-CG 4.1Å; A269-M378 HydrophobicContact CB-SD 3.77Å
270C45.9Very low58.8Low62 Ų6289.6 Ų89.642%0.41948%0.479SS..THydrogen-bonded Turntrans-73.5106.4170.4-73.50000109.7R268R268-C270 PolarHBondContact O-N 3Å
271G54.1Low61Low84 Ų8484.7 Ų84.787%0.86645%0.451SS*.THydrogen-bonded Turntrans94.5-0179.100000115.5A269A269-G271 PolarHBondContact O-N 3.32Å; A269-G271 VanDerWaalsContact O-N 3.16Å
272V62.9Low63.1Low55 Ų5579 Ų7933%0.33343%0.426SS..  trans-74.7139.1174169.20000110R268 F274 L277R268-V272 WeakPolarHBondContact O-CG2 3.17Å; V272-F274 PolarHBondContact O-N 3.47Å; V272-L277 HydrophobicContact CG1-CB 4.15Å
273N73.4Confident65.4Low98 Ų9876.5 Ų76.552%0.52441%0.41SS..  trans-65.9106.5169.9-176-15.8000108.9N275 H276 L277N273-N275 PolarHBondContact O-N 3.32Å; N273-N275 WeakPolarHBondContact OD1-CB 3.49Å; N273-N275 PolarHBondContact OD1-N 3.24Å; N273-H276 HydrophobicContact CB-CB 3.96Å; N273-H276 WeakPolarHBondContact O-CA 3.39Å; N273-H276 VanDerWaalsContact O-CB 3.27Å; N273-H276 WeakPolarHBondContact O-CB 3.28Å; N273-H276 PolarHBondContact O-N 2.84Å; N273-L277 PolarHBondContact O-N 2.72Å
274F79.6Confident67.9Low20 Ų2069.8 Ų69.89%0.08837%0.374CS..Hα-helixtrans-57.1-31180-76-85.4000112.9I208 V272 H276 L277 L278 L374 L413 V414I208-F274 HydrophobicContact CG2-CB 4.11Å; V272-F274 PolarHBondContact O-N 3.47Å; F274-H276 VanDerWaalsContact C-N 3.33Å; F274-L277 PolarHBondContact O-N 3.36Å; F274-L278 WeakPolarHBondContact O-CG 3.17Å; F274-L278 PolarHBondContact O-N 2.94Å; F274-L374 HydrophobicContact CD1-CD1 4.12Å; F274-L374 HydrophobicContact CD1-CD2 3.71Å; F274-L374 HydrophobicContact CD1-CG 4.32Å; F274-L374 HydrophobicContact CE1-CD2 4.49Å; F274-L413 HydrophobicContact CE1-CD2 3.92Å; F274-L413 HydrophobicContact CE1-CG 4.23Å; F274-L413 HydrophobicContact CZ-CD2 4.24Å; F274-L413 HydrophobicContact CZ-CG 4.05Å; F274-V414 HydrophobicContact CD1-CG2 4.35Å; F274-V414 HydrophobicContact CD2-CG2 3.71Å; F274-V414 HydrophobicContact CE1-CG2 4.35Å; F274-V414 HydrophobicContact CE2-CB 4.3Å; F274-V414 HydrophobicContact CE2-CG2 3.68Å; F274-V414 HydrophobicContact CG-CG2 4.05Å; F274-V414 HydrophobicContact CZ-CG2 4.02Å
275N80.5Confident70.1Confident28 Ų2860.3 Ų60.315%0.1534%0.338CS..Hα-helixtrans-66.5-36.2173.6-66.2-42.9000111.9S209 N273 S279S209-N275 PolarHBondContact OG-ND2 3.4Å; N273-N275 PolarHBondContact O-N 3.32Å; N273-N275 WeakPolarHBondContact OD1-CB 3.49Å; N273-N275 PolarHBondContact OD1-N 3.24Å; N275-S279 PolarHBondContact O-N 3.01Å
276H80.9Confident72.2Confident96 Ų9657.8 Ų57.844%0.44432%0.322SS..Hα-helixtrans-66.8-46.2173.7-176.6-84.4000110.7N273 F274 L278 S279 E280N273-H276 HydrophobicContact CB-CB 3.96Å; N273-H276 WeakPolarHBondContact O-CA 3.39Å; N273-H276 VanDerWaalsContact O-CB 3.27Å; N273-H276 WeakPolarHBondContact O-CB 3.28Å; N273-H276 PolarHBondContact O-N 2.84Å; F274-H276 VanDerWaalsContact C-N 3.33Å; H276-L278 VanDerWaalsContact C-N 3.3Å; H276-L278 PolarHBondContact O-N 3.35Å; H276-S279 WeakPolarHBondContact O-CB 3.2Å; H276-S279 PolarHBondContact O-N 2.88Å; H276-S279 PolarHBondContact O-OG 3.32Å; H276-E280 VanDerWaalsContact CE1-CD 3.41Å; H276-E280 IonicContact CE1-OE1 3.96Å; H276-E280 PolarHBondContact CE1-OE1 2.81Å; H276-E280 IonicContact CE1-OE2 3.83Å; H276-E280 IonicContact ND1-OE1 2.99Å; H276-E280 IonicContact ND1-OE2 2.72Å; H276-E280 PolarHBondContact O-N 2.96Å
277L81.8Confident74.7Confident7 Ų751.1 Ų51.14%0.03729%0.286CS..Hα-helixtrans-58.6-42.9178.1-175.160.7000111.7P265 V272 N273 F274 S279 E280 R281 Y373 L374P265-L277 HydrophobicContact CB-CD1 4.22Å; P265-L277 HydrophobicContact CG-CD1 4.24Å; V272-L277 HydrophobicContact CG1-CB 4.15Å; N273-L277 PolarHBondContact O-N 2.72Å; F274-L277 PolarHBondContact O-N 3.36Å; L277-S279 VanDerWaalsContact C-N 3.33Å; L277-S279 PolarHBondContact O-N 2.99Å; L277-E280 PolarHBondContact O-N 2.96Å; L277-R281 PolarHBondContact O-N 2.88Å; L277-Y373 HydrophobicContact CD1-CE1 4.1Å; L277-Y373 HydrophobicContact CG-CE1 3.86Å; L277-Y373 WeakPolarHBondContact O-CE1 3.29Å; L277-L374 HydrophobicContact CB-CD2 4.4Å; L277-L374 HydrophobicContact CD2-CD2 3.81Å; L277-L374 HydrophobicContact CG-CD2 4.16Å
278L85.3Confident76.9Confident20 Ų2049.8 Ų49.811%0.10527%0.272CS..Hα-helixtrans-63.3-35.9173.6-76.1176.6000112.9F274 H276 E280 R281 D370 Y373 L374F274-L278 WeakPolarHBondContact O-CG 3.17Å; F274-L278 PolarHBondContact O-N 2.94Å; H276-L278 VanDerWaalsContact C-N 3.3Å; H276-L278 PolarHBondContact O-N 3.35Å; L278-E280 PolarHBondContact O-N 3.22Å; L278-R281 VanDerWaalsContact O-CB 3.26Å; L278-R281 WeakPolarHBondContact O-CB 3.35Å; L278-R281 PolarHBondContact O-N 3.31Å; L278-R281 VanDerWaalsContact O-N 3.09Å; L278-D370 HydrophobicContact CD2-CB 3.78Å; L278-Y373 HydrophobicContact CD2-CD1 4.44Å; L278-L374 HydrophobicContact CD1-CD1 4.05Å; L278-L374 HydrophobicContact CD2-CD1 4.06Å; L278-L374 HydrophobicContact CD2-CD2 3.85Å; L278-L374 HydrophobicContact CD2-CG 3.77Å; L278-L374 HydrophobicContact CG-CD1 4.06Å; L278-L374 HydrophobicContact CG-CD2 3.85Å; L278-L374 HydrophobicContact CG-CG 4.11Å
279S82.9Confident79.2Confident91 Ų9140.2 Ų40.264%0.63624%0.236SC*.Hα-helixtrans-67.3-23.7178.174.60000113.4N275 H276 L277N275-S279 PolarHBondContact O-N 3.01Å; H276-S279 WeakPolarHBondContact O-CB 3.2Å; H276-S279 PolarHBondContact O-N 2.88Å; H276-S279 PolarHBondContact O-OG 3.32Å; L277-S279 VanDerWaalsContact C-N 3.33Å; L277-S279 PolarHBondContact O-N 2.99Å
280E81.9Confident81.3Confident115 Ų11539.9 Ų39.954%0.53723%0.233SC..THydrogen-bonded Turntrans-86.7-10.1174.2-64.3-179.7143.200112.6H276 L277 L278 K282H276-E280 VanDerWaalsContact CE1-CD 3.41Å; H276-E280 IonicContact CE1-OE1 3.96Å; H276-E280 PolarHBondContact CE1-OE1 2.81Å; H276-E280 IonicContact CE1-OE2 3.83Å; H276-E280 IonicContact ND1-OE1 2.99Å; H276-E280 IonicContact ND1-OE2 2.72Å; H276-E280 PolarHBondContact O-N 2.96Å; L277-E280 PolarHBondContact O-N 2.96Å; L278-E280 PolarHBondContact O-N 3.22Å; E280-K282 PolarHBondContact O-N 3.47Å
281R85.7Confident83.5Confident25 Ų2540 Ų409%0.09423%0.23CC..PPolyproline II helixtrans-65.4124.6178.8-169.4179.879.187.7-21.6109.4L277 L278 L283 E287 K366 D370 Y373L277-R281 PolarHBondContact O-N 2.88Å; L278-R281 VanDerWaalsContact O-CB 3.26Å; L278-R281 WeakPolarHBondContact O-CB 3.35Å; L278-R281 PolarHBondContact O-N 3.31Å; L278-R281 VanDerWaalsContact O-N 3.09Å; R281-L283 VanDerWaalsContact CZ-CD2 3.45Å; R281-L283 PolarHBondContact O-N 3.33Å; R281-E287 IonicContact CZ-OE1 2.7Å; R281-E287 IonicContact CZ-OE2 2.75Å; R281-E287 IonicContact NH1-OE1 3.68Å; R281-E287 PolarHBondContact NH1-OE1 3.05Å; R281-E287 IonicContact NH1-OE2 2.75Å; R281-E287 PolarHBondContact NH1-OE2 3.01Å; R281-E287 IonicContact NH2-OE1 3.01Å; R281-E287 PolarHBondContact NH2-OE1 2.88Å; R281-E287 IonicContact NH2-OE2 2.76Å; R281-E287 PolarHBondContact NH2-OE2 2.75Å; R281-K366 PolarHBondContact NH2-O 2.91Å; R281-D370 IonicContact CZ-OD1 3.06Å; R281-D370 IonicContact NE-OD1 3.09Å; R281-D370 PolarHBondContact NE-OD1 3.16Å; R281-D370 IonicContact NH2-OD1 3.77Å; R281-D370 PolarHBondContact NH2-OD1 3.37Å; R281-Y373 HydrophobicContact CB-CD1 3.9Å; R281-Y373 HydrophobicContact CB-CE1 3.74Å; R281-Y373 HydrophobicContact CB-CG 4.34Å; R281-Y373 VanDerWaalsContact CD-CB 3.5Å; R281-Y373 VanDerWaalsContact CD-CG 3.44Å; R281-Y373 HydrophobicContact CG-CD1 3.83Å; R281-Y373 HydrophobicContact CG-CD2 3.89Å; R281-Y373 HydrophobicContact CG-CE1 4.01Å; R281-Y373 HydrophobicContact CG-CE2 4.09Å; R281-Y373 HydrophobicContact CG-CG 3.75Å
282K83.2Confident85.2Confident77 Ų7737 Ų3734%0.33520%0.197SC..PPolyproline II helixtrans-72.2125.9170.8-64.4-172.2179.8-170.80109.8K258 N260 V262 E280K258-K282 PolarHBondContact O-NZ 2.92Å; N260-K282 PolarHBondContact O-NZ 3.3Å; V262-K282 HydrophobicContact CG2-CD 4.17Å; E280-K282 PolarHBondContact O-N 3.47Å
283L89.8Confident86.5Confident37 Ų3734.5 Ų34.519%0.19418%0.182CC..PPolyproline II helixtrans-88.8145.5178.2-55.4-178.4000109.5V257 R281 E287 N291V257-L283 WeakPolarHBondContact CG1-O 3.2Å; R281-L283 VanDerWaalsContact CZ-CD2 3.45Å; R281-L283 PolarHBondContact O-N 3.33Å; L283-E287 VanDerWaalsContact CA-OE2 3.31Å; L283-E287 WeakPolarHBondContact CA-OE2 3.04Å; L283-E287 HydrophobicContact CB-CB 3.96Å; L283-E287 HydrophobicContact CD2-CB 4.38Å; L283-N291 WeakPolarHBondContact CD1-ND2 3.38Å
284D89.6Confident87.2Confident13 Ų1332 Ų327%0.0717%0.166CC..PPolyproline II helixtrans-77.2169166.790.19.8000111.1S286 E287 A288 H321 N326 H365D284-S286 PolarHBondContact O-N 3.07Å; D284-S286 WeakPolarHBondContact OD1-CA 3.29Å; D284-S286 WeakPolarHBondContact OD1-CB 3.49Å; D284-S286 PolarHBondContact OD1-N 3.44Å; D284-S286 PolarHBondContact OD1-OG 3.46Å; D284-E287 PolarHBondContact N-OE2 3.48Å; D284-E287 PolarHBondContact O-N 3.09Å; D284-E287 WeakPolarHBondContact OD1-CG 3.22Å; D284-E287 PolarHBondContact OD1-N 2.89Å; D284-A288 WeakPolarHBondContact O-CB 3.38Å; D284-A288 PolarHBondContact O-N 3.19Å; D284-H321 WeakPolarHBondContact CA-O 3.29Å; D284-H321 WeakPolarHBondContact CB-O 3.26Å; D284-N326 PolarHBondContact OD2-ND2 2.78Å; D284-H365 IonicContact OD2-NE2 3.19Å
285S91.1Very high87.5Confident0 Ų031.9 Ų31.90%017%0.17CC..Hα-helixtrans-59.9-32.3-176.7-600000113.2I289 L319 I320 H321S285-I289 WeakPolarHBondContact O-CD1 3.32Å; S285-I289 VanDerWaalsContact O-CG1 3.24Å; S285-I289 WeakPolarHBondContact O-CG1 3.34Å; S285-I289 PolarHBondContact O-N 3.5Å; S285-I289 VanDerWaalsContact O-N 3.15Å; S285-L319 PolarHBondContact OG-O 2.8Å; S285-I320 WeakPolarHBondContact OG-CA 3.26Å; S285-H321 PolarHBondContact N-O 3.49Å; S285-H321 PolarHBondContact OG-N 3.07Å; S285-H321 PolarHBondContact OG-O 2.97Å
286S91Very high87.8Confident0 Ų030.5 Ų30.50%016%0.163CC..Hα-helixtrans-74.7-38.3178.176.70000111.9D284 I289 W290 N326 I362D284-S286 PolarHBondContact O-N 3.07Å; D284-S286 WeakPolarHBondContact OD1-CA 3.29Å; D284-S286 WeakPolarHBondContact OD1-CB 3.49Å; D284-S286 PolarHBondContact OD1-N 3.44Å; D284-S286 PolarHBondContact OD1-OG 3.46Å; S286-I289 WeakPolarHBondContact O-CB 3.03Å; S286-I289 PolarHBondContact O-N 3.18Å; S286-W290 PolarHBondContact O-N 3.38Å; S286-N326 PolarHBondContact OG-ND2 2.79Å; S286-I362 VanDerWaalsContact O-CG2 3.25Å; S286-I362 WeakPolarHBondContact O-CG2 3.17Å
287E93.2Very high88Confident1 Ų126.9 Ų26.91%0.00515%0.148CC..Hα-helixtrans-69.3-37.2176.3-64.8177.314100111.5R281 L283 D284 I289 W290 N291 K366 N369R281-E287 IonicContact CZ-OE1 2.7Å; R281-E287 IonicContact CZ-OE2 2.75Å; R281-E287 IonicContact NH1-OE1 3.68Å; R281-E287 PolarHBondContact NH1-OE1 3.05Å; R281-E287 IonicContact NH1-OE2 2.75Å; R281-E287 PolarHBondContact NH1-OE2 3.01Å; R281-E287 IonicContact NH2-OE1 3.01Å; R281-E287 PolarHBondContact NH2-OE1 2.88Å; R281-E287 IonicContact NH2-OE2 2.76Å; R281-E287 PolarHBondContact NH2-OE2 2.75Å; L283-E287 VanDerWaalsContact CA-OE2 3.31Å; L283-E287 WeakPolarHBondContact CA-OE2 3.04Å; L283-E287 HydrophobicContact CB-CB 3.96Å; L283-E287 HydrophobicContact CD2-CB 4.38Å; D284-E287 PolarHBondContact N-OE2 3.48Å; D284-E287 PolarHBondContact O-N 3.09Å; D284-E287 WeakPolarHBondContact OD1-CG 3.22Å; D284-E287 PolarHBondContact OD1-N 2.89Å; E287-I289 VanDerWaalsContact C-N 3.33Å; E287-W290 WeakPolarHBondContact O-CB 3.47Å; E287-W290 PolarHBondContact O-N 3.18Å; E287-N291 PolarHBondContact O-N 2.91Å; E287-K366 HydrophobicContact CB-CB 4.38Å; E287-K366 HydrophobicContact CB-CG 4.01Å; E287-K366 HydrophobicContact CG-CB 3.94Å; E287-K366 HydrophobicContact CG-CG 3.99Å; E287-N369 WeakPolarHBondContact OE1-CB 3.14Å; E287-N369 PolarHBondContact OE1-ND2 2.65Å
288A91.5Very high88.1Confident5 Ų528.8 Ų28.84%0.04116%0.158CC..Hα-helixtrans-62.1-42.1172.600000111.1I253 V257 D284 N291 A292I253-A288 HydrophobicContact CG2-CB 3.85Å; V257-A288 HydrophobicContact CG2-CB 4.32Å; D284-A288 WeakPolarHBondContact O-CB 3.38Å; D284-A288 PolarHBondContact O-N 3.19Å; A288-N291 PolarHBondContact O-N 2.92Å; A288-A292 PolarHBondContact O-N 3.42Å
289I91.9Very high88Confident4 Ų430.7 Ų30.72%0.02117%0.166CC..Hα-helixtrans-62.3-45.4172.4-70.5164.4000110.5F254 S285 S286 E287 N291 A292 V293 V306 A309 L330 L334F254-I289 HydrophobicContact CE1-CD1 4.38Å; F254-I289 HydrophobicContact CE1-CG1 4.1Å; F254-I289 HydrophobicContact CZ-CD1 4.17Å; F254-I289 HydrophobicContact CZ-CG1 3.82Å; S285-I289 WeakPolarHBondContact O-CD1 3.32Å; S285-I289 VanDerWaalsContact O-CG1 3.24Å; S285-I289 WeakPolarHBondContact O-CG1 3.34Å; S285-I289 PolarHBondContact O-N 3.5Å; S285-I289 VanDerWaalsContact O-N 3.15Å; S286-I289 WeakPolarHBondContact O-CB 3.03Å; S286-I289 PolarHBondContact O-N 3.18Å; E287-I289 VanDerWaalsContact C-N 3.33Å; I289-N291 VanDerWaalsContact C-N 3.34Å; I289-N291 PolarHBondContact O-N 3.49Å; I289-A292 WeakPolarHBondContact O-CB 2.84Å; I289-A292 PolarHBondContact O-N 2.95Å; I289-A292 VanDerWaalsContact O-N 3.07Å; I289-V293 HydrophobicContact CG2-CG1 4.3Å; I289-V293 HydrophobicContact CG2-CG2 4.15Å; I289-V293 VanDerWaalsContact O-CG2 3.25Å; I289-V293 WeakPolarHBondContact O-CG2 3.49Å; I289-V293 PolarHBondContact O-N 3.02Å; I289-V306 HydrophobicContact CG2-CG2 4.26Å; I289-A309 HydrophobicContact CD1-CB 4.17Å; I289-A309 HydrophobicContact CG1-CB 4.27Å; I289-L330 HydrophobicContact CB-CD2 4.14Å; I289-L330 HydrophobicContact CD1-CD1 4.42Å; I289-L330 HydrophobicContact CD1-CD2 3.96Å; I289-L330 HydrophobicContact CG2-CD2 3.92Å; I289-L334 HydrophobicContact CD1-CD1 4.13Å
290W92.4Very high88.1Confident0 Ų032.3 Ų32.30%017%0.167CC..Hα-helixtrans-52.1-50.4175.3164.1-99.6000112.2E214 I217 L218 S286 E287 A292 V293 K294 L359 I362 G363 K366E214-W290 PolarHBondContact OE2-NE1 3.27Å; I217-W290 HydrophobicContact CG2-CH2 4.05Å; I217-W290 HydrophobicContact CG2-CZ2 4.23Å; L218-W290 HydrophobicContact CD2-CH2 3.74Å; L218-W290 HydrophobicContact CD2-CZ2 4.3Å; L218-W290 HydrophobicContact CD2-CZ3 4.33Å; L218-W290 HydrophobicContact CG-CH2 4.12Å; L218-W290 HydrophobicContact CG-CZ2 4.26Å; S286-W290 PolarHBondContact O-N 3.38Å; E287-W290 WeakPolarHBondContact O-CB 3.47Å; E287-W290 PolarHBondContact O-N 3.18Å; W290-A292 PolarHBondContact O-N 3.34Å; W290-V293 PolarHBondContact O-N 2.76Å; W290-K294 HydrophobicContact CD2-CB 3.81Å; W290-K294 HydrophobicContact CE3-CB 3.96Å; W290-K294 HydrophobicContact CH2-CB 3.7Å; W290-K294 HydrophobicContact CZ2-CB 3.51Å; W290-K294 HydrophobicContact CZ2-CD 4.2Å; W290-K294 HydrophobicContact CZ3-CB 3.91Å; W290-K294 VanDerWaalsContact O-CB 3.3Å; W290-K294 WeakPolarHBondContact O-CB 3.32Å; W290-K294 PolarHBondContact O-N 3.27Å; W290-L359 HydrophobicContact CE3-CD1 3.72Å; W290-L359 HydrophobicContact CZ3-CD1 3.53Å; W290-L359 HydrophobicContact CZ3-CG 3.9Å; W290-L359 VanDerWaalsContact CZ3-O 3.25Å; W290-L359 WeakPolarHBondContact CZ3-O 3.19Å; W290-I362 HydrophobicContact CB-CG2 3.76Å; W290-G363 VanDerWaalsContact CD2-CA 3.4Å; W290-G363 VanDerWaalsContact CE3-CA 3.41Å; W290-K366 HydrophobicContact CG-CB 4.32Å; W290-K366 HydrophobicContact CG-CG 4.39Å
291N90.7Very high88.4Confident64 Ų6427.8 Ų27.834%0.34215%0.147SC..Hα-helixtrans-58.5-33.6-179.7-81.4-3.1000112.9L283 E287 A288 I289L283-N291 WeakPolarHBondContact CD1-ND2 3.38Å; E287-N291 PolarHBondContact O-N 2.91Å; A288-N291 PolarHBondContact O-N 2.92Å; I289-N291 VanDerWaalsContact C-N 3.34Å; I289-N291 PolarHBondContact O-N 3.49Å
292A89.9Confident88.5Confident22 Ų2226.6 Ų26.618%0.18214%0.142CC..Hα-helixtrans-76.7-30.8177.300000113.3V246 I253 A288 I289 W290V246-A292 HydrophobicContact CG1-CB 4.06Å; I253-A292 HydrophobicContact CD1-CB 4.03Å; A288-A292 PolarHBondContact O-N 3.42Å; I289-A292 WeakPolarHBondContact O-CB 2.84Å; I289-A292 PolarHBondContact O-N 2.95Å; I289-A292 VanDerWaalsContact O-N 3.07Å; W290-A292 PolarHBondContact O-N 3.34Å
293V90.1Very high88.6Confident2 Ų226.4 Ų26.41%0.01214%0.139CC..Hα-helixtrans-116-5.6-168.6-50.50000115.2I289 W290 G295 S296 F302 C305 L359I289-V293 HydrophobicContact CG2-CG1 4.3Å; I289-V293 HydrophobicContact CG2-CG2 4.15Å; I289-V293 VanDerWaalsContact O-CG2 3.25Å; I289-V293 WeakPolarHBondContact O-CG2 3.49Å; I289-V293 PolarHBondContact O-N 3.02Å; W290-V293 PolarHBondContact O-N 2.76Å; V293-G295 PolarHBondContact O-N 3.13Å; V293-S296 VanDerWaalsContact O-CB 3.3Å; V293-S296 WeakPolarHBondContact O-CB 3.39Å; V293-S296 PolarHBondContact O-N 2.74Å; V293-S296 PolarHBondContact O-OG 2.8Å; V293-F302 HydrophobicContact CB-CD2 4.04Å; V293-F302 HydrophobicContact CB-CE2 4.48Å; V293-F302 HydrophobicContact CG2-CD2 3.7Å; V293-F302 HydrophobicContact CG2-CE2 3.67Å; V293-C305 HydrophobicContact CG1-CB 3.53Å; V293-L359 HydrophobicContact CG2-CD1 3.94Å
294K88.9Confident88.6Confident45 Ų4526.6 Ų26.620%0.19614%0.142CC..THydrogen-bonded Turntrans-54.3-32.2-179.862.1-178.9179.2174.20113.5E214 I217 K221 W290 S296E214-K294 IonicContact OE1-NZ 3.08Å; E214-K294 PolarHBondContact OE1-NZ 3.5Å; E214-K294 VanDerWaalsContact OE2-CD 3.25Å; E214-K294 WeakPolarHBondContact OE2-CD 3.36Å; E214-K294 IonicContact OE2-NZ 3.84Å; E214-K294 PolarHBondContact OE2-NZ 3.45Å; I217-K294 HydrophobicContact CD1-CD 4.02Å; I217-K294 HydrophobicContact CG2-CB 4.42Å; K221-K294 WeakPolarHBondContact CE-O 3.46Å; W290-K294 HydrophobicContact CD2-CB 3.81Å; W290-K294 HydrophobicContact CE3-CB 3.96Å; W290-K294 HydrophobicContact CH2-CB 3.7Å; W290-K294 HydrophobicContact CZ2-CB 3.51Å; W290-K294 HydrophobicContact CZ2-CD 4.2Å; W290-K294 HydrophobicContact CZ3-CB 3.91Å; W290-K294 VanDerWaalsContact O-CB 3.3Å; W290-K294 WeakPolarHBondContact O-CB 3.32Å; W290-K294 PolarHBondContact O-N 3.27Å; K294-S296 VanDerWaalsContact C-N 3.3Å; K294-S296 PolarHBondContact O-N 3.03Å
295G86.1Confident88.7Confident17 Ų1726.1 Ų26.118%0.17514%0.14CC..THydrogen-bonded Turntrans-77.90.2175.500000115S239 V241 V293S239-G295 WeakPolarHBondContact CB-O 3.47Å; S239-G295 PolarHBondContact OG-O 3.4Å; V241-G295 WeakPolarHBondContact CG2-O 3.43Å; V293-G295 PolarHBondContact O-N 3.13Å
296S87.1Confident88.7Confident0 Ų026.1 Ų26.10%014%0.14CC..  trans-56.1126.2-172.8-70.30000111.8K221 V293 K294 N298 F302K221-S296 PolarHBondContact NZ-O 3.28Å; V293-S296 VanDerWaalsContact O-CB 3.3Å; V293-S296 WeakPolarHBondContact O-CB 3.39Å; V293-S296 PolarHBondContact O-N 2.74Å; V293-S296 PolarHBondContact O-OG 2.8Å; K294-S296 VanDerWaalsContact C-N 3.3Å; K294-S296 PolarHBondContact O-N 3.03Å; S296-N298 VanDerWaalsContact C-N 3.34Å; S296-F302 WeakPolarHBondContact OG-CA 3.47Å
297P84.9Confident88.6Confident19 Ų1927.9 Ų27.912%0.12315%0.148CC..SBendtrans-76.9-19.4-175.228.9-34.9000113.5W235 L236 S239 T301W235-P297 WeakPolarHBondContact CA-O 3.39Å; W235-P297 WeakPolarHBondContact CB-O 3.09Å; W235-P297 PolarHBondContact N-O 3.3Å; L236-P297 PolarHBondContact N-O 3.32Å; L236-P297 WeakPolarHBondContact O-CB 3.46Å; S239-P297 WeakPolarHBondContact O-CB 3.38Å; P297-T301 HydrophobicContact CG-CG2 4.44Å
298N82.6Confident88.5Confident48 Ų4829.1 Ų29.126%0.25716%0.155SC..BIsolated β-bridgetrans-156.6168.8-178.757.755.1000111.2P233 S296 L300 T301 F302P233-N298 WeakPolarHBondContact O-CB 3.28Å; S296-N298 VanDerWaalsContact C-N 3.34Å; N298-L300 VanDerWaalsContact C-N 3.33Å; N298-L300 PolarHBondContact O-N 3.22Å; N298-L300 PolarHBondContact OD1-N 3.47Å; N298-T301 PolarHBondContact ND2-OG1 3.45Å; N298-T301 PolarHBondContact O-N 3.09Å; N298-T301 WeakPolarHBondContact OD1-CB 3.49Å; N298-T301 PolarHBondContact OD1-N 3.47Å; N298-T301 PolarHBondContact OD1-OG1 3.32Å; N298-F302 PolarHBondContact O-N 3.22Å
299K82.7Confident88.5Confident60 Ų6028.9 Ų28.926%0.26115%0.153SC..Hα-helixtrans-57.3-41.7179.8-172.9179.1179.8177.30113.5W235 R303 N353W235-K299 VanDerWaalsContact CH2-CA 3.47Å; W235-K299 HydrophobicContact CH2-CB 4.03Å; W235-K299 HydrophobicContact CH2-CG 4.29Å; W235-K299 HydrophobicContact CZ2-CB 3.46Å; W235-K299 VanDerWaalsContact CZ2-CB 3.46Å; W235-K299 HydrophobicContact CZ2-CG 3.89Å; K299-R303 VanDerWaalsContact O-CB 3.3Å; K299-R303 WeakPolarHBondContact O-CB 3.31Å; K299-R303 PolarHBondContact O-N 3.38Å; K299-N353 WeakPolarHBondContact CE-OD1 3.43Å; K299-N353 PolarHBondContact NZ-OD1 3.38Å
300L85.6Confident88.3Confident125 Ų12529.9 Ų29.965%0.65416%0.157SC*.Hα-helixtrans-62.6-47.7-178.7-179.263.3000111N298 F302 R303 T304N298-L300 VanDerWaalsContact C-N 3.33Å; N298-L300 PolarHBondContact O-N 3.22Å; N298-L300 PolarHBondContact OD1-N 3.47Å; L300-F302 PolarHBondContact O-N 3.44Å; L300-R303 PolarHBondContact O-N 2.84Å; L300-T304 WeakPolarHBondContact O-CB 3.38Å; L300-T304 PolarHBondContact O-N 3.42Å; L300-T304 PolarHBondContact O-OG1 2.9Å
301T87.8Confident88.2Confident19 Ų1933.9 Ų33.912%0.11718%0.176CC..Hα-helixtrans-61.4-46.5-179.6-51.80000111.3V241 P297 N298 T304 C305V241-T301 HydrophobicContact CB-CG2 4.13Å; V241-T301 HydrophobicContact CG1-CG2 4.14Å; P297-T301 HydrophobicContact CG-CG2 4.44Å; N298-T301 PolarHBondContact ND2-OG1 3.45Å; N298-T301 PolarHBondContact O-N 3.09Å; N298-T301 WeakPolarHBondContact OD1-CB 3.49Å; N298-T301 PolarHBondContact OD1-N 3.47Å; N298-T301 PolarHBondContact OD1-OG1 3.32Å; T301-T304 PolarHBondContact O-N 2.99Å; T301-C305 WeakPolarHBondContact O-CB 3.44Å; T301-C305 PolarHBondContact O-N 3.32Å; T301-C305 PolarHBondContact O-SG 3.16Å
302F87.6Confident88.2Confident0 Ų032.6 Ų32.60%017%0.166CC..Hα-helixtrans-59-51.4176.4168.5-117.6000111.4W235 V293 S296 N298 L300 T304 C305 V306 F354 L359 I362W235-F302 HydrophobicContact CH2-CB 3.93Å; W235-F302 AromaticContact CH2-CD1 3.76Å; W235-F302 HydrophobicContact CH2-CD1 3.76Å; W235-F302 HydrophobicContact CH2-CG 4.1Å; W235-F302 HydrophobicContact CZ3-CB 3.49Å; W235-F302 VanDerWaalsContact CZ3-CB 3.49Å; W235-F302 HydrophobicContact CZ3-CD1 4.03Å; W235-F302 AromaticContact CZ3-CG 3.89Å; W235-F302 HydrophobicContact CZ3-CG 3.89Å; V293-F302 HydrophobicContact CB-CD2 4.04Å; V293-F302 HydrophobicContact CB-CE2 4.48Å; V293-F302 HydrophobicContact CG2-CD2 3.7Å; V293-F302 HydrophobicContact CG2-CE2 3.67Å; S296-F302 WeakPolarHBondContact OG-CA 3.47Å; N298-F302 PolarHBondContact O-N 3.22Å; L300-F302 PolarHBondContact O-N 3.44Å; F302-T304 PolarHBondContact O-N 3.37Å; F302-C305 PolarHBondContact O-N 3.39Å; F302-V306 HydrophobicContact CD2-CG2 3.9Å; F302-V306 HydrophobicContact CE2-CG2 3.5Å; F302-V306 HydrophobicContact CZ-CG2 3.89Å; F302-V306 WeakPolarHBondContact O-CG2 3.41Å; F302-V306 PolarHBondContact O-N 3.47Å; F302-F354 HydrophobicContact CD1-CB 4.33Å; F302-F354 HydrophobicContact CE1-CB 3.89Å; F302-F354 HydrophobicContact CE1-CD1 4.5Å; F302-L359 HydrophobicContact CD2-CB 4.49Å; F302-L359 HydrophobicContact CD2-CD1 3.92Å; F302-L359 HydrophobicContact CE1-CB 4.16Å; F302-L359 HydrophobicContact CE2-CB 4.1Å; F302-L359 HydrophobicContact CE2-CD1 3.68Å; F302-L359 HydrophobicContact CE2-CG 4.42Å; F302-L359 HydrophobicContact CZ-CB 3.91Å; F302-L359 HydrophobicContact CZ-CD1 4.33Å; F302-I362 HydrophobicContact CZ-CD1 4.36Å
303R87.2Confident88.2Confident73 Ų7331.6 Ų31.628%0.27516%0.158SC..Hα-helixtrans-56.7-51.6178.4178.9178.6177.6175.22.8111.1K299 L300 C305 V306 E307 Y349K299-R303 VanDerWaalsContact O-CB 3.3Å; K299-R303 WeakPolarHBondContact O-CB 3.31Å; K299-R303 PolarHBondContact O-N 3.38Å; L300-R303 PolarHBondContact O-N 2.84Å; R303-C305 VanDerWaalsContact C-N 3.31Å; R303-C305 PolarHBondContact O-N 2.85Å; R303-V306 PolarHBondContact O-N 2.8Å; R303-V306 VanDerWaalsContact O-N 3.16Å; R303-E307 HydrophobicContact CG-CG 4.1Å; R303-E307 WeakPolarHBondContact CG-OE1 3.3Å; R303-E307 IonicContact CZ-OE1 2.72Å; R303-E307 IonicContact NE-OE1 3.98Å; R303-E307 PolarHBondContact NE-OE1 3.39Å; R303-E307 IonicContact NH2-OE1 3.23Å; R303-E307 WeakPolarHBondContact O-CB 3.39Å; R303-E307 VanDerWaalsContact O-CG 3.24Å; R303-E307 WeakPolarHBondContact O-CG 3.38Å; R303-E307 PolarHBondContact O-N 3.03Å; R303-Y349 PolarHBondContact NH2-O 3.18Å
304T89.5Confident88.1Confident42 Ų4234.8 Ų34.826%0.25817%0.174SC..Hα-helixtrans-58.6-41.2179.2-60.60000112.1C243 L300 T301 F302 N308C243-T304 HydrophobicContact CB-CG2 4.05Å; L300-T304 WeakPolarHBondContact O-CB 3.38Å; L300-T304 PolarHBondContact O-N 3.42Å; L300-T304 PolarHBondContact O-OG1 2.9Å; T301-T304 PolarHBondContact O-N 2.99Å; F302-T304 PolarHBondContact O-N 3.37Å; T304-N308 VanDerWaalsContact O-CB 3.31Å; T304-N308 WeakPolarHBondContact O-CB 3.43Å; T304-N308 PolarHBondContact O-N 3.29Å; T304-N308 PolarHBondContact O-ND2 2.62Å
305C91Very high87.9Confident2 Ų238.9 Ų38.91%0.01420%0.198CC..Hα-helixtrans-64.3-44.1176.4-68.40000112.1V246 V293 T301 F302 R303 N308 A309V246-C305 HydrophobicContact CG1-CB 4.47Å; V293-C305 HydrophobicContact CG1-CB 3.53Å; T301-C305 WeakPolarHBondContact O-CB 3.44Å; T301-C305 PolarHBondContact O-N 3.32Å; T301-C305 PolarHBondContact O-SG 3.16Å; F302-C305 PolarHBondContact O-N 3.39Å; R303-C305 VanDerWaalsContact C-N 3.31Å; R303-C305 PolarHBondContact O-N 2.85Å; C305-N308 PolarHBondContact O-N 3.49Å; C305-A309 PolarHBondContact O-N 3.35Å
306V90.4Very high88.1Confident0 Ų041.3 Ų41.30%020%0.204CC..Hα-helixtrans-64.3-48.2177.5173.30000110.3I289 F302 R303 N308 A309 F310 L330 F354I289-V306 HydrophobicContact CG2-CG2 4.26Å; F302-V306 HydrophobicContact CD2-CG2 3.9Å; F302-V306 HydrophobicContact CE2-CG2 3.5Å; F302-V306 HydrophobicContact CZ-CG2 3.89Å; F302-V306 WeakPolarHBondContact O-CG2 3.41Å; F302-V306 PolarHBondContact O-N 3.47Å; R303-V306 PolarHBondContact O-N 2.8Å; R303-V306 VanDerWaalsContact O-N 3.16Å; V306-N308 VanDerWaalsContact C-N 3.33Å; V306-N308 PolarHBondContact O-N 3.11Å; V306-A309 CarbonylContact O-C 3.58Å; V306-A309 WeakPolarHBondContact O-CA 3.32Å; V306-A309 WeakPolarHBondContact O-CB 3.06Å; V306-A309 PolarHBondContact O-N 2.5Å; V306-F310 HydrophobicContact CG1-CD2 3.69Å; V306-F310 HydrophobicContact CG1-CE2 3.58Å; V306-F310 VanDerWaalsContact O-CD2 3.31Å; V306-F310 WeakPolarHBondContact O-CD2 3.36Å; V306-F310 PolarHBondContact O-N 3.24Å; V306-L330 HydrophobicContact CG1-CD1 4.18Å; V306-F354 HydrophobicContact CG1-CD2 4.39Å; V306-F354 HydrophobicContact CG1-CE1 4.07Å; V306-F354 HydrophobicContact CG1-CE2 3.88Å; V306-F354 HydrophobicContact CG1-CZ 3.67Å
307E89.2Confident88Confident37 Ų3743.6 Ų43.617%0.17322%0.22CC..Hα-helixtrans-58.1-43.5177.7-69.1177.2163.300112R303 A309 F310 E311 Y349R303-E307 HydrophobicContact CG-CG 4.1Å; R303-E307 WeakPolarHBondContact CG-OE1 3.3Å; R303-E307 IonicContact CZ-OE1 2.72Å; R303-E307 IonicContact NE-OE1 3.98Å; R303-E307 PolarHBondContact NE-OE1 3.39Å; R303-E307 IonicContact NH2-OE1 3.23Å; R303-E307 WeakPolarHBondContact O-CB 3.39Å; R303-E307 VanDerWaalsContact O-CG 3.24Å; R303-E307 WeakPolarHBondContact O-CG 3.38Å; R303-E307 PolarHBondContact O-N 3.03Å; E307-A309 VanDerWaalsContact C-N 3.29Å; E307-A309 PolarHBondContact O-N 3.4Å; E307-F310 WeakPolarHBondContact O-CB 3.43Å; E307-F310 PolarHBondContact O-N 3.34Å; E307-E311 PolarHBondContact O-N 3.06Å; E307-Y349 HydrophobicContact CB-CD1 3.89Å; E307-Y349 HydrophobicContact CB-CE1 3.85Å; E307-Y349 HydrophobicContact CG-CD1 3.61Å; E307-Y349 HydrophobicContact CG-CE1 4.09Å
308N91.2Very high88.1Confident27 Ų2748.4 Ų48.414%0.14424%0.241CC..Hα-helixtrans-61.7-36.6173.3-77.3-40.7000112.1K247 F250 T304 C305 V306 Y312K247-N308 HydrophobicContact CD-CB 4.15Å; K247-N308 HydrophobicContact CG-CB 4.34Å; K247-N308 PolarHBondContact NZ-OD1 2.72Å; F250-N308 HydrophobicContact CE2-CB 3.75Å; F250-N308 WeakPolarHBondContact CE2-O 3.31Å; F250-N308 HydrophobicContact CZ-CB 4.02Å; T304-N308 VanDerWaalsContact O-CB 3.31Å; T304-N308 WeakPolarHBondContact O-CB 3.43Å; T304-N308 PolarHBondContact O-N 3.29Å; T304-N308 PolarHBondContact O-ND2 2.62Å; C305-N308 PolarHBondContact O-N 3.49Å; V306-N308 VanDerWaalsContact C-N 3.33Å; V306-N308 PolarHBondContact O-N 3.11Å; N308-Y312 WeakPolarHBondContact O-CB 3.49Å; N308-Y312 PolarHBondContact O-N 3.45Å
309A91.2Very high88.3Confident1 Ų146.9 Ų46.91%0.00823%0.233CC..Hα-helixtrans-67.8-40.1175.900000111.5F250 F254 I289 C305 V306 E307 Y312 L313F250-A309 HydrophobicContact CE1-CB 4.05Å; F250-A309 HydrophobicContact CE2-CB 4.25Å; F250-A309 HydrophobicContact CZ-CB 3.74Å; F254-A309 HydrophobicContact CE2-CB 4.48Å; F254-A309 HydrophobicContact CZ-CB 4.22Å; I289-A309 HydrophobicContact CD1-CB 4.17Å; I289-A309 HydrophobicContact CG1-CB 4.27Å; C305-A309 PolarHBondContact O-N 3.35Å; V306-A309 CarbonylContact O-C 3.58Å; V306-A309 WeakPolarHBondContact O-CA 3.32Å; V306-A309 WeakPolarHBondContact O-CB 3.06Å; V306-A309 PolarHBondContact O-N 2.5Å; E307-A309 VanDerWaalsContact C-N 3.29Å; E307-A309 PolarHBondContact O-N 3.4Å; A309-Y312 PolarHBondContact O-N 3.49Å; A309-L313 WeakPolarHBondContact O-CB 3.36Å; A309-L313 WeakPolarHBondContact O-CG 3.48Å; A309-L313 PolarHBondContact O-N 2.84Å
310F89.2Confident88.5Confident24 Ų2445.6 Ų45.611%0.10523%0.228CC..Hα-helixtrans-60.6-50.2172.6-87.9-92.5000111.2V306 E307 Y312 L313 I314 L330 R333 L334 L337 F354V306-F310 HydrophobicContact CG1-CD2 3.69Å; V306-F310 HydrophobicContact CG1-CE2 3.58Å; V306-F310 VanDerWaalsContact O-CD2 3.31Å; V306-F310 WeakPolarHBondContact O-CD2 3.36Å; V306-F310 PolarHBondContact O-N 3.24Å; E307-F310 WeakPolarHBondContact O-CB 3.43Å; E307-F310 PolarHBondContact O-N 3.34Å; F310-Y312 VanDerWaalsContact C-N 3.28Å; F310-Y312 PolarHBondContact O-N 2.88Å; F310-L313 PolarHBondContact O-N 3.18Å; F310-L313 VanDerWaalsContact O-N 3.12Å; F310-I314 VanDerWaalsContact O-CG1 3.25Å; F310-I314 WeakPolarHBondContact O-CG1 3.38Å; F310-I314 PolarHBondContact O-N 2.82Å; F310-L330 HydrophobicContact CE2-CD1 3.46Å; F310-L330 VanDerWaalsContact CE2-CD1 3.46Å; F310-L330 HydrophobicContact CZ-CD1 3.75Å; F310-R333 HydrophobicContact CE1-CB 3.94Å; F310-R333 HydrophobicContact CZ-CB 3.75Å; F310-L334 HydrophobicContact CD1-CD2 4.35Å; F310-L334 HydrophobicContact CE1-CD2 3.92Å; F310-L334 HydrophobicContact CE1-CG 4.37Å; F310-L334 HydrophobicContact CE2-CD2 4.47Å; F310-L334 HydrophobicContact CZ-CD2 3.98Å; F310-L334 HydrophobicContact CZ-CG 4.11Å; F310-L337 HydrophobicContact CD1-CD1 3.42Å; F310-L337 VanDerWaalsContact CD1-CD1 3.42Å; F310-L337 HydrophobicContact CE1-CD1 3.86Å; F310-F354 AromaticContact CE2-CZ 3.98Å; F310-F354 HydrophobicContact CE2-CZ 3.98Å; F310-F354 HydrophobicContact CZ-CZ 4.47Å
311E88.8Confident88.6Confident84 Ų8442.3 Ų42.339%0.39321%0.209SC..Hα-helixtrans-54.5-45.7176.3-171-173.8-157.600111.3K247 E307 L313K247-E311 IonicContact NZ-OE2 2.81Å; K247-E311 PolarHBondContact NZ-OE2 2.87Å; E307-E311 PolarHBondContact O-N 3.06Å; E311-L313 PolarHBondContact O-N 2.99Å
312Y90.8Very high88.6Confident38 Ų3843.2 Ų43.215%0.14921%0.213CC..Hα-helixtrans-63.8-39.6177.5-178.5-90.6000113.6F250 P251 F254 N308 A309 F310 K316 L319F250-Y312 HydrophobicContact CB-CD1 3.94Å; F250-Y312 HydrophobicContact CB-CD2 3.9Å; F250-Y312 HydrophobicContact CB-CE1 4.07Å; F250-Y312 HydrophobicContact CB-CE2 3.99Å; F250-Y312 HydrophobicContact CB-CG 3.87Å; F250-Y312 HydrophobicContact CD2-CD2 4.16Å; F250-Y312 AromaticContact CD2-CG 3.91Å; F250-Y312 HydrophobicContact CD2-CG 3.91Å; F250-Y312 HydrophobicContact CG-CG 4.28Å; P251-Y312 VanDerWaalsContact CA-OH 3.26Å; P251-Y312 WeakPolarHBondContact CA-OH 3.4Å; P251-Y312 HydrophobicContact CG-CE2 4.01Å; F254-Y312 HydrophobicContact CB-CE1 4.49Å; F254-Y312 AromaticContact CD2-CD1 3.73Å; F254-Y312 HydrophobicContact CD2-CD1 3.73Å; F254-Y312 AromaticContact CD2-CE1 3.75Å; F254-Y312 HydrophobicContact CD2-CE1 3.75Å; F254-Y312 HydrophobicContact CE2-CD1 4.06Å; N308-Y312 WeakPolarHBondContact O-CB 3.49Å; N308-Y312 PolarHBondContact O-N 3.45Å; A309-Y312 PolarHBondContact O-N 3.49Å; F310-Y312 VanDerWaalsContact C-N 3.28Å; F310-Y312 PolarHBondContact O-N 2.88Å; Y312-K316 HydrophobicContact CE1-CD 4.06Å; Y312-K316 HydrophobicContact CE2-CD 4.47Å; Y312-K316 VanDerWaalsContact CZ-NZ 3.35Å; Y312-K316 PolarHBondContact OH-NZ 3.37Å; Y312-L319 HydrophobicContact CE1-CD1 3.93Å
313L90.2Very high88.4Confident0 Ų044.5 Ų44.50%022%0.224CC..Hα-helixtrans-81.9-22.1-176.8-70.7171.9000113.2F254 A309 F310 E311 D315 K316 S317 L319 I320 L334 L337F254-L313 HydrophobicContact CD1-CD2 3.97Å; F254-L313 HydrophobicContact CD2-CD2 4.06Å; F254-L313 HydrophobicContact CE1-CD1 3.85Å; F254-L313 HydrophobicContact CE1-CD2 4.12Å; F254-L313 HydrophobicContact CE1-CG 4.37Å; F254-L313 HydrophobicContact CE2-CD1 4.32Å; F254-L313 HydrophobicContact CE2-CD2 4.2Å; F254-L313 HydrophobicContact CE2-CG 4.18Å; F254-L313 HydrophobicContact CG-CD2 3.96Å; F254-L313 HydrophobicContact CZ-CD1 3.74Å; F254-L313 HydrophobicContact CZ-CD2 4.23Å; F254-L313 HydrophobicContact CZ-CG 4.11Å; A309-L313 WeakPolarHBondContact O-CB 3.36Å; A309-L313 WeakPolarHBondContact O-CG 3.48Å; A309-L313 PolarHBondContact O-N 2.84Å; F310-L313 PolarHBondContact O-N 3.18Å; F310-L313 VanDerWaalsContact O-N 3.12Å; E311-L313 PolarHBondContact O-N 2.99Å; L313-D315 VanDerWaalsContact C-N 3.3Å; L313-D315 PolarHBondContact O-N 2.99Å; L313-K316 CarbonylContact O-C 3.53Å; L313-K316 PolarHBondContact O-N 3.3Å; L313-S317 VanDerWaalsContact O-CA 3.27Å; L313-S317 WeakPolarHBondContact O-CA 3.47Å; L313-S317 PolarHBondContact O-N 2.84Å; L313-L319 HydrophobicContact CD2-CB 4.08Å; L313-I320 HydrophobicContact CB-CD1 4.22Å; L313-I320 HydrophobicContact CB-CG1 4.2Å; L313-I320 HydrophobicContact CD1-CG1 4.31Å; L313-I320 HydrophobicContact CD2-CG1 4.03Å; L313-I320 HydrophobicContact CG-CG1 4.41Å; L313-L334 HydrophobicContact CD1-CD2 3.66Å; L313-L337 HydrophobicContact CB-CD2 4.29Å
314I88.1Confident88Confident70 Ų7046.5 Ų46.536%0.35925%0.249SC..Hα-helixtrans-59.2-44.7173.2-77.1166.2000110.2F310 K316 L337F310-I314 VanDerWaalsContact O-CG1 3.25Å; F310-I314 WeakPolarHBondContact O-CG1 3.38Å; F310-I314 PolarHBondContact O-N 2.82Å; I314-K316 VanDerWaalsContact C-N 3.27Å; I314-K316 PolarHBondContact O-N 2.75Å; I314-L337 HydrophobicContact CB-CD2 4.5Å; I314-L337 HydrophobicContact CD1-CD1 4.31Å; I314-L337 HydrophobicContact CG1-CD1 3.71Å; I314-L337 HydrophobicContact CG1-CD2 3.85Å; I314-L337 HydrophobicContact CG1-CG 3.84Å
315D85.2Confident87.6Confident131 Ų13148 Ų4870%0.70125%0.253SS*.THydrogen-bonded Turntrans-79.2-10.2179.1-66.8-28.5000113.3L313L313-D315 VanDerWaalsContact C-N 3.3Å; L313-D315 PolarHBondContact O-N 2.99Å
316K89.1Confident87.3Confident68 Ų6848 Ų4830%0.29625%0.253SS..THydrogen-bonded Turntrans-139.848.9-174.4-58.6-162.7-170.975.80112Y312 L313 I314 E318 L319Y312-K316 HydrophobicContact CE1-CD 4.06Å; Y312-K316 HydrophobicContact CE2-CD 4.47Å; Y312-K316 VanDerWaalsContact CZ-NZ 3.35Å; Y312-K316 PolarHBondContact OH-NZ 3.37Å; L313-K316 CarbonylContact O-C 3.53Å; L313-K316 PolarHBondContact O-N 3.3Å; I314-K316 VanDerWaalsContact C-N 3.27Å; I314-K316 PolarHBondContact O-N 2.75Å; K316-E318 VanDerWaalsContact CA-OE2 3.24Å; K316-E318 WeakPolarHBondContact CA-OE2 3.47Å; K316-E318 PolarHBondContact O-N 3.07Å; K316-E318 VanDerWaalsContact O-N 3.07Å; K316-L319 HydrophobicContact CB-CD1 3.75Å; K316-L319 HydrophobicContact CB-CG 4.06Å; K316-L319 HydrophobicContact CD-CD1 3.68Å; K316-L319 HydrophobicContact CG-CD1 4.39Å; K316-L319 WeakPolarHBondContact O-CB 2.95Å; K316-L319 PolarHBondContact O-N 2.89Å
317S85.3Confident87Confident47 Ų4754.1 Ų54.133%0.32928%0.276SS..G310 helixtrans-63.2-18.2-173.656.50000113.3L313 L319 I320 H338L313-S317 VanDerWaalsContact O-CA 3.27Å; L313-S317 WeakPolarHBondContact O-CA 3.47Å; L313-S317 PolarHBondContact O-N 2.84Å; S317-L319 PolarHBondContact O-N 3.5Å; S317-I320 WeakPolarHBondContact O-CB 3.12Å; S317-I320 PolarHBondContact O-N 3.28Å; S317-I320 VanDerWaalsContact O-N 3.07Å; S317-H338 WeakPolarHBondContact CB-NE2 3.48Å; S317-H338 PolarHBondContact OG-NE2 3.26Å
318E86.3Confident86.8Confident121 Ų12152.4 Ų52.457%0.56527%0.268SS*.G310 helixtrans-62.9-16.2170.574.7-78.8-176.100114.3K316K316-E318 VanDerWaalsContact CA-OE2 3.24Å; K316-E318 WeakPolarHBondContact CA-OE2 3.47Å; K316-E318 PolarHBondContact O-N 3.07Å; K316-E318 VanDerWaalsContact O-N 3.07Å
319L87.8Confident86.6Confident16 Ų1655.2 Ų55.28%0.08428%0.28CS..G310 helixtrans-88.1-5.4175.9-58.9-179.7000113.1F254 S285 Y312 L313 K316 S317 H321F254-L319 HydrophobicContact CB-CB 4.19Å; F254-L319 HydrophobicContact CB-CD1 4.09Å; S285-L319 PolarHBondContact OG-O 2.8Å; Y312-L319 HydrophobicContact CE1-CD1 3.93Å; L313-L319 HydrophobicContact CD2-CB 4.08Å; K316-L319 HydrophobicContact CB-CD1 3.75Å; K316-L319 HydrophobicContact CB-CG 4.06Å; K316-L319 HydrophobicContact CD-CD1 3.68Å; K316-L319 HydrophobicContact CG-CD1 4.39Å; K316-L319 WeakPolarHBondContact O-CB 2.95Å; K316-L319 PolarHBondContact O-N 2.89Å; S317-L319 PolarHBondContact O-N 3.5Å; L319-H321 PolarHBondContact O-N 3.32Å
320I88Confident86.5Confident32 Ų3255.2 Ų55.216%0.16428%0.28CS..  trans-79.7110.5177.5-56.4173.3000108.7S285 L313 S317 L322 L334 L337S285-I320 WeakPolarHBondContact OG-CA 3.26Å; L313-I320 HydrophobicContact CB-CD1 4.22Å; L313-I320 HydrophobicContact CB-CG1 4.2Å; L313-I320 HydrophobicContact CD1-CG1 4.31Å; L313-I320 HydrophobicContact CD2-CG1 4.03Å; L313-I320 HydrophobicContact CG-CG1 4.41Å; S317-I320 WeakPolarHBondContact O-CB 3.12Å; S317-I320 PolarHBondContact O-N 3.28Å; S317-I320 VanDerWaalsContact O-N 3.07Å; I320-L322 HydrophobicContact CG2-CD1 3.92Å; I320-L322 HydrophobicContact CG2-CG 4.04Å; I320-L334 HydrophobicContact CG2-CB 4.16Å; I320-L337 HydrophobicContact CD1-CB 4.49Å; I320-L337 HydrophobicContact CD1-CD2 3.49Å; I320-L337 VanDerWaalsContact CD1-CD2 3.49Å
321H87.5Confident86.4Confident57 Ų5754 Ų5426%0.26428%0.275SS..  trans-125.4115.8172.9-58.5-50.5000108.5V257 D284 S285 L319V257-H321 HydrophobicContact CG1-CB 3.6Å; V257-H321 PolarHBondContact O-CD2 3.21Å; D284-H321 WeakPolarHBondContact CA-O 3.29Å; D284-H321 WeakPolarHBondContact CB-O 3.26Å; S285-H321 PolarHBondContact N-O 3.49Å; S285-H321 PolarHBondContact OG-N 3.07Å; S285-H321 PolarHBondContact OG-O 2.97Å; L319-H321 PolarHBondContact O-N 3.32Å
322L86.7Confident86.2Confident37 Ų3755.4 Ų55.419%0.19428%0.276CS..  trans-125.1134.6-178.4-65.4167.1000109.1I320 A331 L334 R335I320-L322 HydrophobicContact CG2-CD1 3.92Å; I320-L322 HydrophobicContact CG2-CG 4.04Å; L322-A331 HydrophobicContact CD1-CB 4.26Å; L322-A331 WeakPolarHBondContact CD1-O 3.37Å; L322-A331 HydrophobicContact CD2-CB 3.93Å; L322-L334 HydrophobicContact CD1-CB 3.67Å; L322-L334 HydrophobicContact CD2-CD1 4.16Å; L322-R335 HydrophobicContact CD1-CG 3.59Å
323A83Confident85.9Confident28 Ų2855.4 Ų55.423%0.23128%0.276CS..  trans-63.7145.7173.400000110.1H325 N326 R335A323-H325 WeakPolarHBondContact CB-CE1 3.42Å; A323-H325 WeakPolarHBondContact CB-ND1 3.27Å; A323-H325 PolarHBondContact O-N 2.89Å; A323-N326 HydrophobicContact CB-CB 4.36Å; A323-N326 WeakPolarHBondContact O-CB 3.45Å; A323-N326 PolarHBondContact O-N 3.45Å; A323-N326 VanDerWaalsContact O-N 3.09Å; A323-R335 PolarHBondContact O-NH2 3.15Å
324S79.9Confident85.8Confident114 Ų11455.6 Ų55.680%0.79728%0.277SS*.THydrogen-bonded Turntrans-63.6-31.4-178.155.60000112.4N326 R335S324-N326 VanDerWaalsContact C-N 3.33Å; S324-R335 PolarHBondContact O-NH2 3.46Å
325H80.8Confident85.7Confident75 Ų7557 Ų5735%0.34728%0.278SS..THydrogen-bonded Turntrans-82.4-5.9177.166.4-77.5000114A323 R327 H365 N369A323-H325 WeakPolarHBondContact CB-CE1 3.42Å; A323-H325 WeakPolarHBondContact CB-ND1 3.27Å; A323-H325 PolarHBondContact O-N 2.89Å; H325-R327 PolarHBondContact O-N 3.22Å; H325-H365 AromaticContact CD2-CE1 3.86Å; H325-H365 AromaticContact NE2-CE1 3.98Å; H325-N369 PolarHBondContact NE2-OD1 2.72Å
326N85.1Confident85.6Confident0 Ų053.9 Ų53.90%026%0.259CS..  trans-71.9110.8175.6-171.4-18.4000109.9D284 S286 A323 S324 T328 A331 R335 H365D284-N326 PolarHBondContact OD2-ND2 2.78Å; S286-N326 PolarHBondContact OG-ND2 2.79Å; A323-N326 HydrophobicContact CB-CB 4.36Å; A323-N326 WeakPolarHBondContact O-CB 3.45Å; A323-N326 PolarHBondContact O-N 3.45Å; A323-N326 VanDerWaalsContact O-N 3.09Å; S324-N326 VanDerWaalsContact C-N 3.33Å; N326-T328 WeakPolarHBondContact OD1-CB 3.49Å; N326-T328 VanDerWaalsContact OD1-CG2 3.29Å; N326-T328 WeakPolarHBondContact OD1-CG2 3.37Å; N326-T328 PolarHBondContact OD1-N 2.97Å; N326-T328 VanDerWaalsContact OD1-N 3.1Å; N326-T328 PolarHBondContact OD1-OG1 3.46Å; N326-A331 HydrophobicContact CB-CB 4.08Å; N326-A331 WeakPolarHBondContact ND2-CB 3.43Å; N326-A331 WeakPolarHBondContact OD1-CB 3.13Å; N326-R335 PolarHBondContact O-NH1 3.41Å; N326-R335 PolarHBondContact O-NH2 3.1Å; N326-H365 WeakPolarHBondContact CB-NE2 3.35Å; N326-H365 PolarHBondContact ND2-CD2 3.34Å; N326-H365 PolarHBondContact ND2-NE2 3.23Å
327R82.9Confident85.2Confident130 Ų13051.4 Ų51.449%0.49125%0.249SC..  trans-11517179.4-51.6179.6174.7-174.1-4.2112.8H325 W394H325-R327 PolarHBondContact O-N 3.22Å; R327-W394 HydrophobicContact CB-CE3 3.83Å; R327-W394 HydrophobicContact CB-CH2 3.99Å; R327-W394 HydrophobicContact CB-CZ3 3.5Å; R327-W394 HydrophobicContact CG-CE3 4.47Å; R327-W394 HydrophobicContact CG-CH2 3.89Å; R327-W394 HydrophobicContact CG-CZ2 4.4Å; R327-W394 HydrophobicContact CG-CZ3 3.95Å
328T86.4Confident84.6Confident1 Ų154.5 Ų54.51%0.00626%0.258CS..  trans-60.7152.7175.863.10000110.5N326 L330 A331 W332 E361 H365N326-T328 WeakPolarHBondContact OD1-CB 3.49Å; N326-T328 VanDerWaalsContact OD1-CG2 3.29Å; N326-T328 WeakPolarHBondContact OD1-CG2 3.37Å; N326-T328 PolarHBondContact OD1-N 2.97Å; N326-T328 VanDerWaalsContact OD1-N 3.1Å; N326-T328 PolarHBondContact OD1-OG1 3.46Å; T328-L330 PolarHBondContact O-N 3.4Å; T328-A331 PolarHBondContact O-N 3.34Å; T328-A331 VanDerWaalsContact O-N 3.16Å; T328-A331 VanDerWaalsContact OG1-CB 3.22Å; T328-A331 WeakPolarHBondContact OG1-CB 3.34Å; T328-A331 PolarHBondContact OG1-N 2.95Å; T328-A331 VanDerWaalsContact OG1-N 3.13Å; T328-W332 PolarHBondContact O-N 3.4Å; T328-E361 WeakPolarHBondContact CA-OE1 3.4Å; T328-E361 HydrophobicContact CG2-CG 4.07Å; T328-H365 HydrophobicContact CG2-CB 3.56Å
329Q86.1Confident83.8Confident86 Ų8652.1 Ų52.140%0.40225%0.249SC..Hα-helixtrans-57.4-37.4176.6-66.1175.328.800111.7R333 T358 E361Q329-R333 PolarHBondContact O-N 3.3Å; Q329-R333 VanDerWaalsContact O-N 3.17Å; Q329-T358 HydrophobicContact CB-CG2 4.37Å; Q329-E361 WeakPolarHBondContact CB-OE2 3.4Å; Q329-E361 WeakPolarHBondContact CG-OE2 3.38Å; Q329-E361 PolarHBondContact N-OE1 2.8Å; Q329-E361 PolarHBondContact N-OE2 3.18Å
330L88.9Confident82.1Confident0 Ų055.9 Ų55.90%028%0.277CS..Hα-helixtrans-63.8-48.7176.3177.560.6000111.8I289 V306 F310 T328 W332 R333 L334 I362I289-L330 HydrophobicContact CB-CD2 4.14Å; I289-L330 HydrophobicContact CD1-CD1 4.42Å; I289-L330 HydrophobicContact CD1-CD2 3.96Å; I289-L330 HydrophobicContact CG2-CD2 3.92Å; V306-L330 HydrophobicContact CG1-CD1 4.18Å; F310-L330 HydrophobicContact CE2-CD1 3.46Å; F310-L330 VanDerWaalsContact CE2-CD1 3.46Å; F310-L330 HydrophobicContact CZ-CD1 3.75Å; T328-L330 PolarHBondContact O-N 3.4Å; L330-W332 VanDerWaalsContact C-N 3.34Å; L330-W332 PolarHBondContact O-N 2.82Å; L330-R333 PolarHBondContact O-N 2.95Å; L330-L334 HydrophobicContact CD1-CD1 4.2Å; L330-L334 HydrophobicContact CD1-CG 4.26Å; L330-L334 HydrophobicContact CG-CD1 4.07Å; L330-L334 WeakPolarHBondContact O-CG 3.33Å; L330-L334 PolarHBondContact O-N 3.39Å; L330-I362 HydrophobicContact CB-CD1 3.83Å; L330-I362 HydrophobicContact CB-CG1 3.93Å; L330-I362 HydrophobicContact CD2-CD1 3.41Å; L330-I362 VanDerWaalsContact CD2-CD1 3.41Å; L330-I362 HydrophobicContact CD2-CG1 3.95Å; L330-I362 HydrophobicContact CD2-CG2 4.37Å; L330-I362 HydrophobicContact CG-CD1 4.23Å
331A88.2Confident80.2Confident0 Ų060.3 Ų60.30%031%0.306CS..Hα-helixtrans-64.4-39.8179.200000112.2L322 N326 T328 R333 L334 R335L322-A331 HydrophobicContact CD1-CB 4.26Å; L322-A331 WeakPolarHBondContact CD1-O 3.37Å; L322-A331 HydrophobicContact CD2-CB 3.93Å; N326-A331 HydrophobicContact CB-CB 4.08Å; N326-A331 WeakPolarHBondContact ND2-CB 3.43Å; N326-A331 WeakPolarHBondContact OD1-CB 3.13Å; T328-A331 PolarHBondContact O-N 3.34Å; T328-A331 VanDerWaalsContact O-N 3.16Å; T328-A331 VanDerWaalsContact OG1-CB 3.22Å; T328-A331 WeakPolarHBondContact OG1-CB 3.34Å; T328-A331 PolarHBondContact OG1-N 2.95Å; T328-A331 VanDerWaalsContact OG1-N 3.13Å; A331-R333 VanDerWaalsContact C-N 3.3Å; A331-R333 PolarHBondContact O-N 3.21Å; A331-L334 PolarHBondContact O-N 3.21Å; A331-R335 WeakPolarHBondContact O-CG 3.44Å; A331-R335 PolarHBondContact O-N 3.35Å
332W85.1Confident78.1Confident112 Ų11262.7 Ų62.742%0.42432%0.317SS..Hα-helixtrans-56.8-46.5174.6-17585.2000110.8T328 L330 R335 H336 E342T328-W332 PolarHBondContact O-N 3.4Å; L330-W332 VanDerWaalsContact C-N 3.34Å; L330-W332 PolarHBondContact O-N 2.82Å; W332-R335 WeakPolarHBondContact O-CB 3.35Å; W332-R335 PolarHBondContact O-N 3.44Å; W332-H336 AromaticContact CD1-CE1 3.58Å; W332-H336 AromaticContact CD2-ND1 3.96Å; W332-H336 AromaticContact CE2-CE1 3.62Å; W332-H336 AromaticContact CE2-ND1 3.8Å; W332-H336 AromaticContact NE1-CE1 3.24Å; W332-H336 PolarHBondContact NE1-CE1 3.25Å; W332-H336 AromaticContact NE1-ND1 3.83Å; W332-H336 AromaticContact NE1-NE2 3.82Å; W332-H336 PolarHBondContact O-N 2.71Å; W332-H336 PolarHBondContact O-ND1 3.5Å; W332-E342 WeakPolarHBondContact CH2-OE1 3.29Å
333R83.5Confident75.8Confident39 Ų3967.6 Ų67.615%0.14735%0.349CS..Hα-helixtrans-67.2-41.1177.8-70.9-167.7-168.2148.115.4114.1F310 Q329 L330 A331 R335 H336 L337 F352 F354F310-R333 HydrophobicContact CE1-CB 3.94Å; F310-R333 HydrophobicContact CZ-CB 3.75Å; Q329-R333 PolarHBondContact O-N 3.3Å; Q329-R333 VanDerWaalsContact O-N 3.17Å; L330-R333 PolarHBondContact O-N 2.95Å; A331-R333 VanDerWaalsContact C-N 3.3Å; A331-R333 PolarHBondContact O-N 3.21Å; R333-R335 PolarHBondContact O-N 2.82Å; R333-H336 CarbonylContact O-C 3.58Å; R333-H336 PolarHBondContact O-N 2.87Å; R333-H336 VanDerWaalsContact O-N 3.08Å; R333-L337 PolarHBondContact O-N 3.1Å; R333-L337 VanDerWaalsContact O-N 3.07Å; R333-F352 VanDerWaalsContact CZ-CE1 3.41Å; R333-F352 VanDerWaalsContact CZ-CG 3.4Å; R333-F352 VanDerWaalsContact NH1-CD1 3.26Å; R333-F354 VanDerWaalsContact NH1-CE1 3.3Å
334L88.1Confident73.5Confident3 Ų373.3 Ų73.32%0.01637%0.365CS..Hα-helixtrans-61.1-31.2176.2-74.6174.2000111.9I289 F310 L313 I320 L322 L330 A331I289-L334 HydrophobicContact CD1-CD1 4.13Å; F310-L334 HydrophobicContact CD1-CD2 4.35Å; F310-L334 HydrophobicContact CE1-CD2 3.92Å; F310-L334 HydrophobicContact CE1-CG 4.37Å; F310-L334 HydrophobicContact CE2-CD2 4.47Å; F310-L334 HydrophobicContact CZ-CD2 3.98Å; F310-L334 HydrophobicContact CZ-CG 4.11Å; L313-L334 HydrophobicContact CD1-CD2 3.66Å; I320-L334 HydrophobicContact CG2-CB 4.16Å; L322-L334 HydrophobicContact CD1-CB 3.67Å; L322-L334 HydrophobicContact CD2-CD1 4.16Å; L330-L334 HydrophobicContact CD1-CD1 4.2Å; L330-L334 HydrophobicContact CD1-CG 4.26Å; L330-L334 HydrophobicContact CG-CD1 4.07Å; L330-L334 WeakPolarHBondContact O-CG 3.33Å; L330-L334 PolarHBondContact O-N 3.39Å; A331-L334 PolarHBondContact O-N 3.21Å
335R85.8Confident71.4Confident101 Ų10171 Ų7138%0.38136%0.359SS..Hα-helixtrans-68.2-36.9172.4-71.4-179.2-173.7136.53.2113.3L322 A323 S324 N326 A331 W332 R333L322-R335 HydrophobicContact CD1-CG 3.59Å; A323-R335 PolarHBondContact O-NH2 3.15Å; S324-R335 PolarHBondContact O-NH2 3.46Å; N326-R335 PolarHBondContact O-NH1 3.41Å; N326-R335 PolarHBondContact O-NH2 3.1Å; A331-R335 WeakPolarHBondContact O-CG 3.44Å; A331-R335 PolarHBondContact O-N 3.35Å; W332-R335 WeakPolarHBondContact O-CB 3.35Å; W332-R335 PolarHBondContact O-N 3.44Å; R333-R335 PolarHBondContact O-N 2.82Å
336H83.7Confident69.2Low65 Ų6575.1 Ų75.130%0.30138%0.379SS..THydrogen-bonded Turntrans-100.923.5-175.4-55.676.3000111.3W332 R333 H338 D339W332-H336 AromaticContact CD1-CE1 3.58Å; W332-H336 AromaticContact CD2-ND1 3.96Å; W332-H336 AromaticContact CE2-CE1 3.62Å; W332-H336 AromaticContact CE2-ND1 3.8Å; W332-H336 AromaticContact NE1-CE1 3.24Å; W332-H336 PolarHBondContact NE1-CE1 3.25Å; W332-H336 AromaticContact NE1-ND1 3.83Å; W332-H336 AromaticContact NE1-NE2 3.82Å; W332-H336 PolarHBondContact O-N 2.71Å; W332-H336 PolarHBondContact O-ND1 3.5Å; R333-H336 CarbonylContact O-C 3.58Å; R333-H336 PolarHBondContact O-N 2.87Å; R333-H336 VanDerWaalsContact O-N 3.08Å; H336-H338 PolarHBondContact O-N 3.34Å; H336-H338 VanDerWaalsContact O-N 3.14Å; H336-D339 HydrophobicContact CB-CB 4.05Å; H336-D339 IonicContact CD2-OD2 2.72Å; H336-D339 PolarHBondContact CD2-OD2 3.32Å; H336-D339 IonicContact CG-OD2 2.62Å; H336-D339 PolarHBondContact O-N 2.75Å
337L80.1Confident67Low15 Ų1580.1 Ų80.18%0.07941%0.405CS..THydrogen-bonded Turntrans-57.7-33.1-173.8-172.362.6000113F310 L313 I314 I320 R333 Y344F310-L337 HydrophobicContact CD1-CD1 3.42Å; F310-L337 VanDerWaalsContact CD1-CD1 3.42Å; F310-L337 HydrophobicContact CE1-CD1 3.86Å; L313-L337 HydrophobicContact CB-CD2 4.29Å; I314-L337 HydrophobicContact CB-CD2 4.5Å; I314-L337 HydrophobicContact CD1-CD1 4.31Å; I314-L337 HydrophobicContact CG1-CD1 3.71Å; I314-L337 HydrophobicContact CG1-CD2 3.85Å; I314-L337 HydrophobicContact CG1-CG 3.84Å; I320-L337 HydrophobicContact CD1-CB 4.49Å; I320-L337 HydrophobicContact CD1-CD2 3.49Å; I320-L337 VanDerWaalsContact CD1-CD2 3.49Å; R333-L337 PolarHBondContact O-N 3.1Å; R333-L337 VanDerWaalsContact O-N 3.07Å; L337-Y344 PolarHBondContact O-OH 3.11Å
338H73.2Confident65Low112 Ų11277.6 Ų77.652%0.51941%0.406SS..THydrogen-bonded Turntrans-101.93.1179.4-65-59.5000113.9S317 H336 S340S317-H338 WeakPolarHBondContact CB-NE2 3.48Å; S317-H338 PolarHBondContact OG-NE2 3.26Å; H336-H338 PolarHBondContact O-N 3.34Å; H336-H338 VanDerWaalsContact O-N 3.14Å; H338-S340 PolarHBondContact O-N 3.29Å
339D69.3Low62.9Low71 Ų7181.2 Ų81.238%0.3842%0.42SS..  trans-71.3100.3-177.8-78.513.2000109.8H336 T341H336-D339 HydrophobicContact CB-CB 4.05Å; H336-D339 IonicContact CD2-OD2 2.72Å; H336-D339 PolarHBondContact CD2-OD2 3.32Å; H336-D339 IonicContact CG-OD2 2.62Å; H336-D339 PolarHBondContact O-N 2.75Å; D339-T341 PolarHBondContact O-N 2.94Å
340S51.4Low60.8Low96 Ų9679.2 Ų79.267%0.67142%0.422SS*.THydrogen-bonded Turntrans-69.6-10.2178.459.70000113.6H338H338-S340 PolarHBondContact O-N 3.29Å
341T48.4Very low58.5Low125 Ų12585.8 Ų85.877%0.76746%0.457SS*.THydrogen-bonded Turntrans-79.5-14-175.239.70000114.1D339 T343D339-T341 PolarHBondContact O-N 2.94Å; T341-T343 PolarHBondContact O-N 3.47Å
342E44.6Very low56.8Low106 Ų10688.8 Ų88.850%0.49547%0.47SS..SBendtrans-78.4108.2158.2-71-164.6160.900107.5W332 Y344W332-E342 WeakPolarHBondContact CH2-OE1 3.29Å; E342-Y344 VanDerWaalsContact O-CD2 3.24Å; E342-Y344 WeakPolarHBondContact O-CD2 3.44Å; E342-Y344 PolarHBondContact O-N 3.01Å
343T36.8Very low55.7Low141 Ų14189 Ų8987%0.86548%0.48SS*.  trans-41.998.217831.70000112.6T341 G345T341-T343 PolarHBondContact O-N 3.47Å; T343-G345 PolarHBondContact O-N 3.01Å
344Y36.4Very low55.2Low147 Ų14787.6 Ų87.658%0.57647%0.474SS*.  trans-6741.3177-97.8-93.5000113.2L337 E342 P348L337-Y344 PolarHBondContact O-OH 3.11Å; E342-Y344 VanDerWaalsContact O-CD2 3.24Å; E342-Y344 WeakPolarHBondContact O-CD2 3.44Å; E342-Y344 PolarHBondContact O-N 3.01Å; Y344-P348 HydrophobicContact CE1-CB 4.38Å
345G33.9Very low54.7Low66 Ų6687.9 Ų87.968%0.6848%0.478SS*.  trans-91.1-18-170.900000115.8T343T343-G345 PolarHBondContact O-N 3.01Å
346Q35.5Very low54.5Low161 Ų16183.2 Ų83.275%0.75246%0.461SS*.SBendtrans-146.898.7-176.7-69.4-173.5-12.300110.5
347N37.8Very low54.5Low105 Ų10584.1 Ų84.156%0.56147%0.465SS*.  trans49.6104167.7-161.1-1000114.8Y349 G350N347-Y349 PolarHBondContact O-N 3.49Å; N347-Y349 PolarHBondContact OD1-N 2.99Å; N347-G350 PolarHBondContact O-N 3.09Å
348P41.7Very low54.8Low78 Ų7883.5 Ų83.551%0.50646%0.462SS..THydrogen-bonded Turntrans-55.6-16.5178.720.6-30.1000113.7Y344 F352Y344-P348 HydrophobicContact CE1-CB 4.38Å; P348-F352 WeakPolarHBondContact O-CE2 3.16Å
349Y42.3Very low55.4Low77 Ų7778.1 Ų78.130%0.30244%0.437SS..THydrogen-bonded Turntrans-101.2-12.4177.5-56.4-70.8000114.2R303 E307 N347R303-Y349 PolarHBondContact NH2-O 3.18Å; E307-Y349 HydrophobicContact CB-CD1 3.89Å; E307-Y349 HydrophobicContact CB-CE1 3.85Å; E307-Y349 HydrophobicContact CG-CD1 3.61Å; E307-Y349 HydrophobicContact CG-CE1 4.09Å; N347-Y349 PolarHBondContact O-N 3.49Å; N347-Y349 PolarHBondContact OD1-N 2.99Å
350G42.9Very low56.4Low43 Ų4374.8 Ų74.844%0.44342%0.419SS..THydrogen-bonded Turntrans-85.2-26.9-158.700000117.5N347N347-G350 PolarHBondContact O-N 3.09Å
351L40.5Very low58.2Low139 Ų13971.1 Ų71.173%0.72839%0.392SS*.SBendtrans-100.41.4-172.4-88.4156.3000114.7
352F52.6Low60.2Low63 Ų6365.2 Ų65.228%0.27636%0.355SS..  trans-103.5108-168.8-62.3-53000112.9R333 P348 F354R333-F352 VanDerWaalsContact CZ-CE1 3.41Å; R333-F352 VanDerWaalsContact CZ-CG 3.4Å; R333-F352 VanDerWaalsContact NH1-CD1 3.26Å; P348-F352 WeakPolarHBondContact O-CE2 3.16Å; F352-F354 HydrophobicContact CB-CD2 4.06Å; F352-F354 HydrophobicContact CB-CE2 4.13Å; F352-F354 PolarHBondContact O-N 3.11Å
353N62Low62.5Low117 Ų11760.1 Ų60.163%0.62633%0.332SS*.  trans-76.667.6172-156.116.8000109.8K299 G355K299-N353 WeakPolarHBondContact CE-OD1 3.43Å; K299-N353 PolarHBondContact NZ-OD1 3.38Å; N353-G355 PolarHBondContact O-N 3.49Å
354F71.6Confident65.1Low8 Ų853.4 Ų53.44%0.03529%0.29CS..  trans-64.284.7166.7-77.4-62.3000108.4F302 V306 F310 R333 F352 T358F302-F354 HydrophobicContact CD1-CB 4.33Å; F302-F354 HydrophobicContact CE1-CB 3.89Å; F302-F354 HydrophobicContact CE1-CD1 4.5Å; V306-F354 HydrophobicContact CG1-CD2 4.39Å; V306-F354 HydrophobicContact CG1-CE1 4.07Å; V306-F354 HydrophobicContact CG1-CE2 3.88Å; V306-F354 HydrophobicContact CG1-CZ 3.67Å; F310-F354 AromaticContact CE2-CZ 3.98Å; F310-F354 HydrophobicContact CE2-CZ 3.98Å; F310-F354 HydrophobicContact CZ-CZ 4.47Å; R333-F354 VanDerWaalsContact NH1-CE1 3.3Å; F352-F354 HydrophobicContact CB-CD2 4.06Å; F352-F354 HydrophobicContact CB-CE2 4.13Å; F352-F354 PolarHBondContact O-N 3.11Å; F354-T358 HydrophobicContact CD1-CG2 3.84Å; F354-T358 HydrophobicContact CE1-CG2 4.15Å
355G78.4Confident67.8Low10 Ų1046.9 Ų46.910%0.10327%0.265CS..  trans-92.3-175.717900000111.8N353 E357 T358 L359N353-G355 PolarHBondContact O-N 3.49Å; G355-E357 PolarHBondContact O-N 2.95Å; G355-T358 PolarHBondContact O-N 2.94Å; G355-L359 PolarHBondContact O-N 3.22Å
356I81.2Confident70.6Confident3 Ų344.5 Ų44.52%0.01524%0.236CC..Hα-helixtrans-61.9-28.3173.6-166.3167.4000111.7K221 L224 Y225 W235 L359 I360K221-I356 HydrophobicContact CB-CD1 4.46Å; K221-I356 HydrophobicContact CD-CD1 4.38Å; K221-I356 VanDerWaalsContact O-CD1 3.29Å; K221-I356 WeakPolarHBondContact O-CD1 3.34Å; L224-I356 HydrophobicContact CB-CD1 3.65Å; Y225-I356 HydrophobicContact CD2-CG2 3.48Å; Y225-I356 VanDerWaalsContact CD2-CG2 3.48Å; Y225-I356 HydrophobicContact CE2-CG2 4.44Å; Y225-I356 HydrophobicContact CG-CG2 4.11Å; W235-I356 HydrophobicContact CD2-CD1 4.38Å; W235-I356 HydrophobicContact CG-CD1 4.26Å; W235-I356 HydrophobicContact CH2-CB 4.27Å; W235-I356 HydrophobicContact CZ2-CB 3.75Å; W235-I356 HydrophobicContact CZ2-CG1 4.47Å; I356-L359 WeakPolarHBondContact O-CB 3.41Å; I356-L359 PolarHBondContact O-N 2.87Å; I356-I360 HydrophobicContact CG1-CD1 4.06Å; I356-I360 HydrophobicContact CG1-CG1 4.34Å; I356-I360 VanDerWaalsContact O-CG1 3.27Å; I356-I360 WeakPolarHBondContact O-CG1 3.39Å; I356-I360 PolarHBondContact O-N 3.13Å
357E84.2Confident73.3Confident83 Ų8336.8 Ų36.839%0.38820%0.2SC..Hα-helixtrans-57-49.9174.7-66.5173168.200112.2Y225 G355 L359 I360 E361 L396Y225-E357 HydrophobicContact CD2-CG 3.81Å; Y225-E357 HydrophobicContact CE2-CG 3.16Å; Y225-E357 WeakPolarHBondContact CE2-OE1 3.37Å; Y225-E357 VanDerWaalsContact CZ-OE1 3.23Å; Y225-E357 PolarHBondContact OH-OE1 3.13Å; G355-E357 PolarHBondContact O-N 2.95Å; E357-L359 VanDerWaalsContact C-N 3.28Å; E357-L359 PolarHBondContact O-N 2.88Å; E357-I360 PolarHBondContact O-N 2.76Å; E357-E361 WeakPolarHBondContact O-CB 3.3Å; E357-E361 PolarHBondContact O-N 2.89Å; E357-L396 HydrophobicContact CB-CD1 4.49Å; E357-L396 HydrophobicContact CG-CD1 4.46Å
358T85.6Confident75.9Confident2 Ų233 Ų331%0.01218%0.179CC..Hα-helixtrans-63.3-38.3178.2-460000110.8Q329 F354 G355 E361 I362Q329-T358 HydrophobicContact CB-CG2 4.37Å; F354-T358 HydrophobicContact CD1-CG2 3.84Å; F354-T358 HydrophobicContact CE1-CG2 4.15Å; G355-T358 PolarHBondContact O-N 2.94Å; T358-E361 PolarHBondContact O-N 2.83Å; T358-I362 HydrophobicContact CG2-CD1 4.02Å; T358-I362 HydrophobicContact CG2-CG1 4.47Å; T358-I362 VanDerWaalsContact O-CD1 3.27Å; T358-I362 WeakPolarHBondContact O-CD1 3.38Å; T358-I362 WeakPolarHBondContact O-CG1 3.49Å; T358-I362 PolarHBondContact O-N 3.43Å; T358-I362 VanDerWaalsContact O-N 3.08Å
359L87.2Confident78.2Confident0 Ų030 Ų300%016%0.159CC..Hα-helixtrans-62.8-45.7175.8179.362.2000111.5K221 W235 W290 V293 F302 G355 I356 E357 G363K221-L359 HydrophobicContact CD-CD2 4.1Å; W235-L359 HydrophobicContact CE3-CD2 3.98Å; W235-L359 HydrophobicContact CZ3-CD2 3.65Å; W290-L359 HydrophobicContact CE3-CD1 3.72Å; W290-L359 HydrophobicContact CZ3-CD1 3.53Å; W290-L359 HydrophobicContact CZ3-CG 3.9Å; W290-L359 VanDerWaalsContact CZ3-O 3.25Å; W290-L359 WeakPolarHBondContact CZ3-O 3.19Å; V293-L359 HydrophobicContact CG2-CD1 3.94Å; F302-L359 HydrophobicContact CD2-CB 4.49Å; F302-L359 HydrophobicContact CD2-CD1 3.92Å; F302-L359 HydrophobicContact CE1-CB 4.16Å; F302-L359 HydrophobicContact CE2-CB 4.1Å; F302-L359 HydrophobicContact CE2-CD1 3.68Å; F302-L359 HydrophobicContact CE2-CG 4.42Å; F302-L359 HydrophobicContact CZ-CB 3.91Å; F302-L359 HydrophobicContact CZ-CD1 4.33Å; G355-L359 PolarHBondContact O-N 3.22Å; I356-L359 WeakPolarHBondContact O-CB 3.41Å; I356-L359 PolarHBondContact O-N 2.87Å; E357-L359 VanDerWaalsContact C-N 3.28Å; E357-L359 PolarHBondContact O-N 2.88Å; L359-G363 PolarHBondContact O-N 3.39Å; L359-G363 VanDerWaalsContact O-N 3.13Å
360I89Confident80.6Confident0 Ų026.7 Ų26.70%015%0.147CC..Hα-helixtrans-62.7-44.7176.7-66.6164000110.4L218 K221 I222 Y225 I356 E357 I362 G363 L364 L396L218-I360 HydrophobicContact CD2-CG2 4.44Å; K221-I360 HydrophobicContact CB-CD1 4.32Å; K221-I360 HydrophobicContact CB-CG1 3.81Å; I222-I360 HydrophobicContact CB-CD1 4.44Å; Y225-I360 HydrophobicContact CG-CD1 4.1Å; I356-I360 HydrophobicContact CG1-CD1 4.06Å; I356-I360 HydrophobicContact CG1-CG1 4.34Å; I356-I360 VanDerWaalsContact O-CG1 3.27Å; I356-I360 WeakPolarHBondContact O-CG1 3.39Å; I356-I360 PolarHBondContact O-N 3.13Å; E357-I360 PolarHBondContact O-N 2.76Å; I360-I362 PolarHBondContact O-N 3.46Å; I360-G363 PolarHBondContact O-N 3.1Å; I360-L364 HydrophobicContact CG2-CD1 3.71Å; I360-L364 HydrophobicContact CG2-CG 4.12Å; I360-L364 WeakPolarHBondContact O-CB 3.44Å; I360-L364 WeakPolarHBondContact O-CG 3.37Å; I360-L364 PolarHBondContact O-N 2.93Å; I360-L396 HydrophobicContact CG2-CD2 4.03Å
361E89.7Confident82.9Confident20 Ų2024.6 Ų24.69%0.09313%0.125CC..Hα-helixtrans-58.3-47-179.8-172.4-168.8-155.600112T328 Q329 E357 T358 L364 H365 L396T328-E361 WeakPolarHBondContact CA-OE1 3.4Å; T328-E361 HydrophobicContact CG2-CG 4.07Å; Q329-E361 WeakPolarHBondContact CB-OE2 3.4Å; Q329-E361 WeakPolarHBondContact CG-OE2 3.38Å; Q329-E361 PolarHBondContact N-OE1 2.8Å; Q329-E361 PolarHBondContact N-OE2 3.18Å; E357-E361 WeakPolarHBondContact O-CB 3.3Å; E357-E361 PolarHBondContact O-N 2.89Å; T358-E361 PolarHBondContact O-N 2.83Å; E361-L364 PolarHBondContact O-N 2.65Å; E361-H365 WeakPolarHBondContact O-CB 3.16Å; E361-H365 PolarHBondContact O-N 2.93Å; E361-L396 HydrophobicContact CB-CD2 4.12Å
362I90.7Very high85.3Confident0 Ų019 Ų190%010%0.097CC..Hα-helixtrans-65.8-43.4179-56154.2000110.3S286 W290 F302 L330 T358 I360 H365 K366S286-I362 VanDerWaalsContact O-CG2 3.25Å; S286-I362 WeakPolarHBondContact O-CG2 3.17Å; W290-I362 HydrophobicContact CB-CG2 3.76Å; F302-I362 HydrophobicContact CZ-CD1 4.36Å; L330-I362 HydrophobicContact CB-CD1 3.83Å; L330-I362 HydrophobicContact CB-CG1 3.93Å; L330-I362 HydrophobicContact CD2-CD1 3.41Å; L330-I362 VanDerWaalsContact CD2-CD1 3.41Å; L330-I362 HydrophobicContact CD2-CG1 3.95Å; L330-I362 HydrophobicContact CD2-CG2 4.37Å; L330-I362 HydrophobicContact CG-CD1 4.23Å; T358-I362 HydrophobicContact CG2-CD1 4.02Å; T358-I362 HydrophobicContact CG2-CG1 4.47Å; T358-I362 VanDerWaalsContact O-CD1 3.27Å; T358-I362 WeakPolarHBondContact O-CD1 3.38Å; T358-I362 WeakPolarHBondContact O-CG1 3.49Å; T358-I362 PolarHBondContact O-N 3.43Å; T358-I362 VanDerWaalsContact O-N 3.08Å; I360-I362 PolarHBondContact O-N 3.46Å; I362-H365 PolarHBondContact O-N 3Å; I362-K366 WeakPolarHBondContact O-CB 3.25Å; I362-K366 PolarHBondContact O-N 3.21Å
363G92.4Very high87.1Confident0 Ų018.5 Ų18.50%09%0.093CC..Hα-helixtrans-66-40.4179.100000112.5W290 L359 I360 H365 K366 V367W290-G363 VanDerWaalsContact CD2-CA 3.4Å; W290-G363 VanDerWaalsContact CE3-CA 3.41Å; L359-G363 PolarHBondContact O-N 3.39Å; L359-G363 VanDerWaalsContact O-N 3.13Å; I360-G363 PolarHBondContact O-N 3.1Å; G363-H365 PolarHBondContact O-N 3.16Å; G363-K366 PolarHBondContact O-N 2.88Å; G363-V367 VanDerWaalsContact O-CG2 3.29Å; G363-V367 WeakPolarHBondContact O-CG2 3.49Å; G363-V367 PolarHBondContact O-N 3.22Å
364L92.2Very high88.4Confident0 Ų012.9 Ų12.90%06%0.063CC..Hα-helixtrans-57.7-48.7172.3-78.7171.3000111L218 I360 E361 K366 V367 I368 L396 Q399 W400 L403L218-L364 HydrophobicContact CD1-CD2 4.22Å; L218-L364 HydrophobicContact CD1-CG 4.49Å; L218-L364 HydrophobicContact CD2-CG 4.49Å; I360-L364 HydrophobicContact CG2-CD1 3.71Å; I360-L364 HydrophobicContact CG2-CG 4.12Å; I360-L364 WeakPolarHBondContact O-CB 3.44Å; I360-L364 WeakPolarHBondContact O-CG 3.37Å; I360-L364 PolarHBondContact O-N 2.93Å; E361-L364 PolarHBondContact O-N 2.65Å; L364-K366 VanDerWaalsContact C-N 3.32Å; L364-K366 PolarHBondContact O-N 2.55Å; L364-V367 PolarHBondContact O-N 3.48Å; L364-I368 VanDerWaalsContact O-CB 3.3Å; L364-I368 WeakPolarHBondContact O-CB 3.32Å; L364-I368 WeakPolarHBondContact O-CD1 3.34Å; L364-I368 WeakPolarHBondContact O-CG1 3.49Å; L364-I368 PolarHBondContact O-N 3.29Å; L364-L396 HydrophobicContact CD1-CD2 3.93Å; L364-Q399 HydrophobicContact CB-CB 4.45Å; L364-Q399 HydrophobicContact CD1-CB 3.86Å; L364-W400 HydrophobicContact CD1-CG 4.47Å; L364-W400 HydrophobicContact CD2-CD2 3.66Å; L364-W400 HydrophobicContact CD2-CE3 3.97Å; L364-W400 HydrophobicContact CD2-CG 4.09Å; L364-W400 HydrophobicContact CD2-CH2 4.35Å; L364-W400 HydrophobicContact CD2-CZ2 4.04Å; L364-W400 HydrophobicContact CD2-CZ3 4.29Å; L364-L403 HydrophobicContact CD2-CB 4.5Å; L364-L403 HydrophobicContact CD2-CD2 3.63Å
365H91.5Very high89.3Confident9 Ų912.6 Ų12.64%0.0426%0.062CC..Hα-helixtrans-56.8-46.3177-175.765.1000112D284 H325 N326 T328 E361 I362 G363 I368 N369D284-H365 IonicContact OD2-NE2 3.19Å; H325-H365 AromaticContact CD2-CE1 3.86Å; H325-H365 AromaticContact NE2-CE1 3.98Å; N326-H365 WeakPolarHBondContact CB-NE2 3.35Å; N326-H365 PolarHBondContact ND2-CD2 3.34Å; N326-H365 PolarHBondContact ND2-NE2 3.23Å; T328-H365 HydrophobicContact CG2-CB 3.56Å; E361-H365 WeakPolarHBondContact O-CB 3.16Å; E361-H365 PolarHBondContact O-N 2.93Å; I362-H365 PolarHBondContact O-N 3Å; G363-H365 PolarHBondContact O-N 3.16Å; H365-I368 PolarHBondContact O-N 2.96Å; H365-N369 PolarHBondContact CD2-ND2 3.01Å; H365-N369 PolarHBondContact CE1-ND2 3.34Å; H365-N369 VanDerWaalsContact CE1-ND2 3.34Å; H365-N369 PolarHBondContact NE2-ND2 3.14Å; H365-N369 WeakPolarHBondContact O-CB 3.23Å; H365-N369 PolarHBondContact O-N 3.21Å; H365-N369 PolarHBondContact O-ND2 3.17Å
366K92.8Very high89.8Confident16 Ų1614.9 Ų14.97%0.077%0.072CC..Hα-helixtrans-59-49.7178.4-176.4-90.5-179.6-1750112.1E214 R281 E287 W290 I362 G363 L364 N369 D370E214-K366 IonicContact OE1-NZ 3.98Å; E214-K366 PolarHBondContact OE1-NZ 2.85Å; R281-K366 PolarHBondContact NH2-O 2.91Å; E287-K366 HydrophobicContact CB-CB 4.38Å; E287-K366 HydrophobicContact CB-CG 4.01Å; E287-K366 HydrophobicContact CG-CB 3.94Å; E287-K366 HydrophobicContact CG-CG 3.99Å; W290-K366 HydrophobicContact CG-CB 4.32Å; W290-K366 HydrophobicContact CG-CG 4.39Å; I362-K366 WeakPolarHBondContact O-CB 3.25Å; I362-K366 PolarHBondContact O-N 3.21Å; G363-K366 PolarHBondContact O-N 2.88Å; L364-K366 VanDerWaalsContact C-N 3.32Å; L364-K366 PolarHBondContact O-N 2.55Å; K366-N369 PolarHBondContact O-N 3.22Å; K366-D370 WeakPolarHBondContact CD-OD2 3.2Å; K366-D370 WeakPolarHBondContact CE-OD2 3.45Å; K366-D370 IonicContact NZ-OD1 3.29Å; K366-D370 IonicContact NZ-OD2 3.98Å; K366-D370 PolarHBondContact NZ-OD2 3.19Å; K366-D370 PolarHBondContact O-N 3.23Å
367V93.2Very high89.9Confident0 Ų015.5 Ų15.50%08%0.077CC..Hα-helixtrans-71-36.2-176.4-178.70000110.9L211 E214 I215 L218 G363 L364 D370 C371 L403L211-V367 HydrophobicContact CD1-CG1 3.59Å; L211-V367 HydrophobicContact CG-CG1 4.4Å; E214-V367 HydrophobicContact CB-CG2 3.64Å; E214-V367 HydrophobicContact CG-CG2 4.46Å; I215-V367 HydrophobicContact CD1-CG1 4.28Å; I215-V367 HydrophobicContact CG1-CG1 3.8Å; L218-V367 HydrophobicContact CD1-CB 4.29Å; L218-V367 HydrophobicContact CD1-CG2 3.75Å; G363-V367 VanDerWaalsContact O-CG2 3.29Å; G363-V367 WeakPolarHBondContact O-CG2 3.49Å; G363-V367 PolarHBondContact O-N 3.22Å; L364-V367 PolarHBondContact O-N 3.48Å; V367-D370 WeakPolarHBondContact O-CB 3.49Å; V367-D370 PolarHBondContact O-N 3.14Å; V367-C371 PolarHBondContact O-N 3.32Å; V367-C371 PolarHBondContact O-SG 3.23Å; V367-C371 VanDerWaalsContact O-SG 3.35Å; V367-L403 HydrophobicContact CB-CD1 4.09Å; V367-L403 HydrophobicContact CB-CD2 4.39Å; V367-L403 HydrophobicContact CG1-CD1 3.37Å; V367-L403 HydrophobicContact CG1-CD2 4.06Å; V367-L403 HydrophobicContact CG1-CG 4.37Å
368I91.9Very high89.9Confident25 Ų2512 Ų1213%0.1286%0.06CC..Hα-helixtrans-58.2-48.5171.3-74.8167.4000110.4L364 H365 D370 C371 V372 Q399 V402 L403 L406L364-I368 VanDerWaalsContact O-CB 3.3Å; L364-I368 WeakPolarHBondContact O-CB 3.32Å; L364-I368 WeakPolarHBondContact O-CD1 3.34Å; L364-I368 WeakPolarHBondContact O-CG1 3.49Å; L364-I368 PolarHBondContact O-N 3.29Å; H365-I368 PolarHBondContact O-N 2.96Å; I368-D370 VanDerWaalsContact C-N 3.35Å; I368-D370 PolarHBondContact O-N 3.01Å; I368-C371 WeakPolarHBondContact O-CB 3.18Å; I368-C371 PolarHBondContact O-N 2.95Å; I368-V372 WeakPolarHBondContact O-CG2 3.32Å; I368-V372 PolarHBondContact O-N 3.1Å; I368-Q399 HydrophobicContact CD1-CB 4.32Å; I368-V402 HydrophobicContact CD1-CG1 4.31Å; I368-L403 HydrophobicContact CD1-CB 4.41Å; I368-L403 HydrophobicContact CG1-CB 3.91Å; I368-L403 HydrophobicContact CG1-CD1 4.31Å; I368-L406 HydrophobicContact CB-CD1 4.31Å; I368-L406 HydrophobicContact CG1-CD1 4.32Å; I368-L406 HydrophobicContact CG2-CD1 3.74Å
369N91Very high89.8Confident16 Ų1612 Ų129%0.0866%0.06CC..Hα-helixtrans-65.5-35.8178.7-73.8-19.3000112.6E287 H325 H365 K366 C371 V372 Y373E287-N369 WeakPolarHBondContact OE1-CB 3.14Å; E287-N369 PolarHBondContact OE1-ND2 2.65Å; H325-N369 PolarHBondContact NE2-OD1 2.72Å; H365-N369 PolarHBondContact CD2-ND2 3.01Å; H365-N369 PolarHBondContact CE1-ND2 3.34Å; H365-N369 VanDerWaalsContact CE1-ND2 3.34Å; H365-N369 PolarHBondContact NE2-ND2 3.14Å; H365-N369 WeakPolarHBondContact O-CB 3.23Å; H365-N369 PolarHBondContact O-N 3.21Å; H365-N369 PolarHBondContact O-ND2 3.17Å; K366-N369 PolarHBondContact O-N 3.22Å; N369-C371 VanDerWaalsContact C-N 3.35Å; N369-V372 PolarHBondContact O-N 3.17Å; N369-Y373 VanDerWaalsContact O-CB 3.28Å; N369-Y373 WeakPolarHBondContact O-CB 3.25Å; N369-Y373 PolarHBondContact O-N 2.8Å
370D91.9Very high89.5Confident6 Ų615.8 Ų15.83%0.0329%0.085CC..Hα-helixtrans-59.2-47.2172-72.8-15.2000111L211 L278 R281 K366 V367 I368 Y373 L374L211-D370 HydrophobicContact CD1-CB 3.73Å; L278-D370 HydrophobicContact CD2-CB 3.78Å; R281-D370 IonicContact CZ-OD1 3.06Å; R281-D370 IonicContact NE-OD1 3.09Å; R281-D370 PolarHBondContact NE-OD1 3.16Å; R281-D370 IonicContact NH2-OD1 3.77Å; R281-D370 PolarHBondContact NH2-OD1 3.37Å; K366-D370 WeakPolarHBondContact CD-OD2 3.2Å; K366-D370 WeakPolarHBondContact CE-OD2 3.45Å; K366-D370 IonicContact NZ-OD1 3.29Å; K366-D370 IonicContact NZ-OD2 3.98Å; K366-D370 PolarHBondContact NZ-OD2 3.19Å; K366-D370 PolarHBondContact O-N 3.23Å; V367-D370 WeakPolarHBondContact O-CB 3.49Å; V367-D370 PolarHBondContact O-N 3.14Å; I368-D370 VanDerWaalsContact C-N 3.35Å; I368-D370 PolarHBondContact O-N 3.01Å; D370-Y373 PolarHBondContact O-N 2.86Å; D370-L374 WeakPolarHBondContact O-CG 3.49Å; D370-L374 PolarHBondContact O-N 2.86Å
371C92.1Very high89Confident0 Ų020.8 Ų20.80%011%0.112CC..Hα-helixtrans-61.3-46.5177.4-680000111.9V367 I368 N369 Y373 L374 L375 L406 V410V367-C371 PolarHBondContact O-N 3.32Å; V367-C371 PolarHBondContact O-SG 3.23Å; V367-C371 VanDerWaalsContact O-SG 3.35Å; I368-C371 WeakPolarHBondContact O-CB 3.18Å; I368-C371 PolarHBondContact O-N 2.95Å; N369-C371 VanDerWaalsContact C-N 3.35Å; C371-Y373 VanDerWaalsContact C-N 3.34Å; C371-Y373 PolarHBondContact O-N 3.05Å; C371-L374 PolarHBondContact O-N 3.12Å; C371-L375 WeakPolarHBondContact O-CG 3.32Å; C371-L375 PolarHBondContact O-N 3.19Å; C371-L406 HydrophobicContact CB-CB 3.73Å; C371-L406 HydrophobicContact CB-CD1 4.43Å; C371-L406 HydrophobicContact CB-CD2 4.35Å; C371-L406 HydrophobicContact CB-CG 4.43Å; C371-V410 HydrophobicContact CB-CG2 3.87Å
372V90.9Very high88.5Confident20 Ų2019.8 Ų19.812%0.12111%0.107CC..Hα-helixtrans-59.9-45.4177.7169.90000110.6I368 N369 L374 L375 D376 S382 L406I368-V372 WeakPolarHBondContact O-CG2 3.32Å; I368-V372 PolarHBondContact O-N 3.1Å; N369-V372 PolarHBondContact O-N 3.17Å; V372-L374 VanDerWaalsContact C-N 3.3Å; V372-L374 PolarHBondContact O-N 2.95Å; V372-L375 PolarHBondContact O-N 2.81Å; V372-L375 VanDerWaalsContact O-N 3.17Å; V372-D376 WeakPolarHBondContact CG1-OD2 3.43Å; V372-D376 VanDerWaalsContact O-CB 3.31Å; V372-D376 WeakPolarHBondContact O-CB 3.35Å; V372-D376 PolarHBondContact O-N 3.22Å; V372-S382 PolarHBondContact O-OG 2.7Å; V372-L406 HydrophobicContact CG2-CD1 4.14Å; V372-L406 HydrophobicContact CG2-CD2 3.97Å
373Y89Confident87.7Confident53 Ų5321.6 Ų21.621%0.20812%0.119CC..Hα-helixtrans-59.5-41.3178.1179.4-103.9000112.4L277 L278 R281 N369 D370 C371 S377L277-Y373 HydrophobicContact CD1-CE1 4.1Å; L277-Y373 HydrophobicContact CG-CE1 3.86Å; L277-Y373 WeakPolarHBondContact O-CE1 3.29Å; L278-Y373 HydrophobicContact CD2-CD1 4.44Å; R281-Y373 HydrophobicContact CB-CD1 3.9Å; R281-Y373 HydrophobicContact CB-CE1 3.74Å; R281-Y373 HydrophobicContact CB-CG 4.34Å; R281-Y373 VanDerWaalsContact CD-CB 3.5Å; R281-Y373 VanDerWaalsContact CD-CG 3.44Å; R281-Y373 HydrophobicContact CG-CD1 3.83Å; R281-Y373 HydrophobicContact CG-CD2 3.89Å; R281-Y373 HydrophobicContact CG-CE1 4.01Å; R281-Y373 HydrophobicContact CG-CE2 4.09Å; R281-Y373 HydrophobicContact CG-CG 3.75Å; N369-Y373 VanDerWaalsContact O-CB 3.28Å; N369-Y373 WeakPolarHBondContact O-CB 3.25Å; N369-Y373 PolarHBondContact O-N 2.8Å; D370-Y373 PolarHBondContact O-N 2.86Å; C371-Y373 VanDerWaalsContact C-N 3.34Å; C371-Y373 PolarHBondContact O-N 3.05Å; Y373-S377 PolarHBondContact O-N 3.37Å
374L90Very high87Confident0 Ų025.4 Ų25.40%014%0.143CC..Hα-helixtrans-66.4-42.3175.5-68.7-175000112.3F274 L277 L278 D370 C371 V372 S377 V410F274-L374 HydrophobicContact CD1-CD1 4.12Å; F274-L374 HydrophobicContact CD1-CD2 3.71Å; F274-L374 HydrophobicContact CD1-CG 4.32Å; F274-L374 HydrophobicContact CE1-CD2 4.49Å; L277-L374 HydrophobicContact CB-CD2 4.4Å; L277-L374 HydrophobicContact CD2-CD2 3.81Å; L277-L374 HydrophobicContact CG-CD2 4.16Å; L278-L374 HydrophobicContact CD1-CD1 4.05Å; L278-L374 HydrophobicContact CD2-CD1 4.06Å; L278-L374 HydrophobicContact CD2-CD2 3.85Å; L278-L374 HydrophobicContact CD2-CG 3.77Å; L278-L374 HydrophobicContact CG-CD1 4.06Å; L278-L374 HydrophobicContact CG-CD2 3.85Å; L278-L374 HydrophobicContact CG-CG 4.11Å; D370-L374 WeakPolarHBondContact O-CG 3.49Å; D370-L374 PolarHBondContact O-N 2.86Å; C371-L374 PolarHBondContact O-N 3.12Å; V372-L374 VanDerWaalsContact C-N 3.3Å; V372-L374 PolarHBondContact O-N 2.95Å; L374-S377 WeakPolarHBondContact O-CB 3.31Å; L374-S377 PolarHBondContact O-N 2.94Å; L374-S377 PolarHBondContact O-OG 3.11Å; L374-V410 HydrophobicContact CB-CG2 4.28Å; L374-V410 HydrophobicContact CD1-CG1 3.75Å
375L90.7Very high86Confident1 Ų128.7 Ų28.71%0.00516%0.157CC..Hα-helixtrans-67.7-41.6178.1-70166.3000111.9C371 V372 S377 M378 I379 S382 L406 V410 L413 M433C371-L375 WeakPolarHBondContact O-CG 3.32Å; C371-L375 PolarHBondContact O-N 3.19Å; V372-L375 PolarHBondContact O-N 2.81Å; V372-L375 VanDerWaalsContact O-N 3.17Å; L375-S377 PolarHBondContact O-N 3.06Å; L375-M378 PolarHBondContact O-N 2.91Å; L375-I379 PolarHBondContact O-N 2.85Å; L375-S382 WeakPolarHBondContact CB-OG 3.33Å; L375-L406 HydrophobicContact CD1-CD2 3.52Å; L375-V410 HydrophobicContact CD1-CG2 4.13Å; L375-V410 HydrophobicContact CD2-CG2 4.19Å; L375-V410 HydrophobicContact CG-CG2 3.81Å; L375-L413 HydrophobicContact CD2-CB 4.49Å; L375-L413 HydrophobicContact CD2-CD2 4.17Å; L375-M433 HydrophobicContact CD1-CE 4.39Å; L375-M433 HydrophobicContact CD2-SD 4.49Å
376D88.8Confident85Confident59 Ų5929.8 Ų29.832%0.31616%0.162SC..Hα-helixtrans-61.4-25.2178.3-81.8-12.5000113.2V372 M378 I379 D381 S382V372-D376 WeakPolarHBondContact CG1-OD2 3.43Å; V372-D376 VanDerWaalsContact O-CB 3.31Å; V372-D376 WeakPolarHBondContact O-CB 3.35Å; V372-D376 PolarHBondContact O-N 3.22Å; D376-M378 PolarHBondContact O-N 3.45Å; D376-I379 WeakPolarHBondContact CA-O 3.32Å; D376-D381 PolarHBondContact OD1-N 2.9Å; D376-S382 VanDerWaalsContact OD1-CB 3.23Å; D376-S382 WeakPolarHBondContact OD1-CB 3.25Å; D376-S382 PolarHBondContact OD1-N 2.96Å; D376-S382 PolarHBondContact OD1-OG 3.06Å
377S83.9Confident83.8Confident16 Ų1632.5 Ų32.511%0.11218%0.175CC..THydrogen-bonded Turntrans-61.7-20.9172.879.20000113.3Y373 L374 L375Y373-S377 PolarHBondContact O-N 3.37Å; L374-S377 WeakPolarHBondContact O-CB 3.31Å; L374-S377 PolarHBondContact O-N 2.94Å; L374-S377 PolarHBondContact O-OG 3.11Å; L375-S377 PolarHBondContact O-N 3.06Å
378M83.5Confident81.8Confident9 Ų936.9 Ų36.94%0.04421%0.205CC..THydrogen-bonded Turntrans-118-40.6179.6-72.2-62.4-15900113.6A269 L375 D376 L413 L425A269-M378 HydrophobicContact CB-CE 3.28Å; A269-M378 HydrophobicContact CB-CG 4.1Å; A269-M378 HydrophobicContact CB-SD 3.77Å; L375-M378 PolarHBondContact O-N 2.91Å; D376-M378 PolarHBondContact O-N 3.45Å; M378-L413 HydrophobicContact CB-CD1 4.27Å; M378-L413 HydrophobicContact CE-CD1 4.45Å; M378-L413 HydrophobicContact CG-CD1 3.67Å; M378-L425 HydrophobicContact CE-CD2 4.15Å
379I84Confident79.8Confident1 Ų140.9 Ų40.91%0.00523%0.227CC..SBendtrans-121.497.9-178-57.7175000107.2L375 D376 D381 S382 F385 I426 L429 R430 M433L375-I379 PolarHBondContact O-N 2.85Å; D376-I379 WeakPolarHBondContact CA-O 3.32Å; I379-D381 PolarHBondContact O-N 2.83Å; I379-S382 WeakPolarHBondContact O-CB 3.5Å; I379-S382 PolarHBondContact O-N 3.45Å; I379-F385 HydrophobicContact CG2-CE2 4.41Å; I379-I426 HydrophobicContact CG1-CG1 4.37Å; I379-I426 HydrophobicContact CG1-CG2 4.28Å; I379-L429 HydrophobicContact CD1-CB 3.64Å; I379-L429 HydrophobicContact CD1-CD1 4.28Å; I379-R430 HydrophobicContact CD1-CG 4.07Å; I379-R430 HydrophobicContact CG2-CG 4.47Å; I379-M433 HydrophobicContact CD1-SD 3.88Å
380P80.9Confident77.9Confident80 Ų8045.1 Ų45.152%0.51924%0.242SC..THydrogen-bonded Turntrans-53.7142.4173.7-24.233.6000111.1S382P380-S382 VanDerWaalsContact C-N 3.31Å; P380-S382 PolarHBondContact O-N 2.83Å
381D77.5Confident75.8Confident105 Ų10554.1 Ų54.156%0.56128%0.284SS*.THydrogen-bonded Turntrans63.432.8179-49.1-46.7000113.4D376 I379 S383 T384D376-D381 PolarHBondContact OD1-N 2.9Å; I379-D381 PolarHBondContact O-N 2.83Å; D381-S383 PolarHBondContact O-N 2.89Å; D381-T384 HydrophobicContact CB-CG2 4.11Å; D381-T384 WeakPolarHBondContact O-CB 3.29Å; D381-T384 WeakPolarHBondContact O-CG2 3.26Å; D381-T384 PolarHBondContact O-N 2.94Å; D381-T384 VanDerWaalsContact O-N 3.13Å; D381-T384 PolarHBondContact O-OG1 2.73Å
382S78.9Confident73.6Confident0 Ų056.9 Ų56.90%030%0.303CS..G310 helixtrans-59.9-25.4179.368.10000113.6V372 L375 D376 I379 P380 T384 F385 F386V372-S382 PolarHBondContact O-OG 2.7Å; L375-S382 WeakPolarHBondContact CB-OG 3.33Å; D376-S382 VanDerWaalsContact OD1-CB 3.23Å; D376-S382 WeakPolarHBondContact OD1-CB 3.25Å; D376-S382 PolarHBondContact OD1-N 2.96Å; D376-S382 PolarHBondContact OD1-OG 3.06Å; I379-S382 WeakPolarHBondContact O-CB 3.5Å; I379-S382 PolarHBondContact O-N 3.45Å; P380-S382 VanDerWaalsContact C-N 3.31Å; P380-S382 PolarHBondContact O-N 2.83Å; S382-T384 PolarHBondContact O-N 2.71Å; S382-F385 WeakPolarHBondContact O-CD2 3.38Å; S382-F385 PolarHBondContact O-N 2.72Å; S382-F386 WeakPolarHBondContact O-CD2 3.34Å
383S74.4Confident71.8Confident37 Ų3758.6 Ų58.626%0.25933%0.325SS..G310 helixtrans-59.1-33.5176.157.80000112.6D381 F385 F386 E387D381-S383 PolarHBondContact O-N 2.89Å; S383-F385 PolarHBondContact O-N 2.86Å; S383-F385 VanDerWaalsContact O-N 3.15Å; S383-F386 PolarHBondContact O-N 2.83Å; S383-E387 WeakPolarHBondContact O-CG 3.49Å; S383-E387 PolarHBondContact O-N 2.93Å
384T78.4Confident70.4Confident80 Ų8061 Ų6149%0.49133%0.334SS..G310 helixtrans-60-27.9-176.460.80000113.3D381 S382 F386D381-T384 HydrophobicContact CB-CG2 4.11Å; D381-T384 WeakPolarHBondContact O-CB 3.29Å; D381-T384 WeakPolarHBondContact O-CG2 3.26Å; D381-T384 PolarHBondContact O-N 2.94Å; D381-T384 VanDerWaalsContact O-N 3.13Å; D381-T384 PolarHBondContact O-OG1 2.73Å; S382-T384 PolarHBondContact O-N 2.71Å; T384-F386 PolarHBondContact O-N 3.39Å
385F70.5Confident69.8Low70 Ų7064.9 Ų64.931%0.30736%0.355SS..G310 helixtrans-65.9-21.6176-69.8-92.8000113.1I379 S382 S383 R430 M433I379-F385 HydrophobicContact CG2-CE2 4.41Å; S382-F385 WeakPolarHBondContact O-CD2 3.38Å; S382-F385 PolarHBondContact O-N 2.72Å; S383-F385 PolarHBondContact O-N 2.86Å; S383-F385 VanDerWaalsContact O-N 3.15Å; F385-R430 HydrophobicContact CZ-CG 4.07Å; F385-M433 HydrophobicContact CB-CB 4.44Å; F385-M433 HydrophobicContact CB-CE 3.97Å; F385-M433 HydrophobicContact CD1-CB 4.11Å; F385-M433 HydrophobicContact CD2-CE 3.57Å; F385-M433 HydrophobicContact CE2-CE 4.21Å; F385-M433 HydrophobicContact CG-CB 4.28Å; F385-M433 HydrophobicContact CG-CE 3.79Å
386F71.7Confident69.5Low31 Ų3166.5 Ų66.514%0.13636%0.363CS..THydrogen-bonded Turntrans-114.9-7.3-175.1-52.1-80.3000112.9S382 S383 T384 S388 V402 N405 L406 M433S382-F386 WeakPolarHBondContact O-CD2 3.34Å; S383-F386 PolarHBondContact O-N 2.83Å; T384-F386 PolarHBondContact O-N 3.39Å; F386-S388 VanDerWaalsContact C-N 3.32Å; F386-S388 PolarHBondContact O-N 3.13Å; F386-V402 HydrophobicContact CB-CG1 4.2Å; F386-N405 HydrophobicContact CD1-CB 4.41Å; F386-N405 HydrophobicContact CE1-CB 3.86Å; F386-L406 HydrophobicContact CD1-CD2 4.46Å; F386-L406 HydrophobicContact CD1-CG 4.21Å; F386-L406 HydrophobicContact CD2-CD2 3.46Å; F386-L406 VanDerWaalsContact CD2-CD2 3.46Å; F386-L406 HydrophobicContact CD2-CG 4.01Å; F386-L406 HydrophobicContact CE1-CD2 4.25Å; F386-L406 HydrophobicContact CE1-CG 4.14Å; F386-L406 HydrophobicContact CE2-CD2 3.17Å; F386-L406 HydrophobicContact CE2-CG 3.93Å; F386-L406 HydrophobicContact CG-CD2 4.1Å; F386-L406 HydrophobicContact CG-CG 4.14Å; F386-L406 HydrophobicContact CZ-CD2 3.62Å; F386-L406 HydrophobicContact CZ-CG 4Å; F386-M433 HydrophobicContact CE2-CE 3.55Å; F386-M433 HydrophobicContact CZ-CB 4.26Å; F386-M433 HydrophobicContact CZ-CE 4.01Å; F386-M433 HydrophobicContact CZ-CG 4.16Å
387E66.9Low69.2Low73 Ų7368 Ų6834%0.34137%0.368SS..G310 helixtrans-75.3-17.4177.8-70.4-162.4163.200113.7S383 D389 R390S383-E387 WeakPolarHBondContact O-CG 3.49Å; S383-E387 PolarHBondContact O-N 2.93Å; E387-D389 PolarHBondContact O-N 2.83Å; E387-D389 VanDerWaalsContact O-N 3.16Å; E387-R390 VanDerWaalsContact CD-CZ 3.46Å; E387-R390 WeakPolarHBondContact O-CB 3.32Å; E387-R390 WeakPolarHBondContact O-CG 3.43Å; E387-R390 PolarHBondContact O-N 2.73Å; E387-R390 IonicContact OE1-CZ 3.83Å; E387-R390 IonicContact OE1-NH2 3.86Å; E387-R390 PolarHBondContact OE1-NH2 2.93Å; E387-R390 IonicContact OE2-CZ 3.22Å; E387-R390 VanDerWaalsContact OE2-CZ 3.27Å; E387-R390 IonicContact OE2-NH1 2.84Å; E387-R390 PolarHBondContact OE2-NH1 2.65Å; E387-R390 IonicContact OE2-NH2 2.75Å; E387-R390 PolarHBondContact OE2-NH2 3.07Å
388S50Low69.2Low92 Ų9268.3 Ų68.364%0.64337%0.371SS*.G310 helixtrans-64.5-19.8-17452.10000114.6F386 R390F386-S388 VanDerWaalsContact C-N 3.32Å; F386-S388 PolarHBondContact O-N 3.13Å; S388-R390 VanDerWaalsContact C-N 3.31Å; S388-R390 PolarHBondContact O-N 3.13Å
389D50.5Low69.4Low110 Ų11068.7 Ų68.759%0.58837%0.372SS*.G310 helixtrans-87.49.9179.9-87.5-23000114.8E387 Q391 S392E387-D389 PolarHBondContact O-N 2.83Å; E387-D389 VanDerWaalsContact O-N 3.16Å; D389-Q391 PolarHBondContact O-N 2.82Å; D389-S392 PolarHBondContact O-N 2.82Å; D389-S392 PolarHBondContact O-OG 3.41Å
390R50.7Low69.5Low104 Ų10468.8 Ų68.839%0.39237%0.373SS..THydrogen-bonded Turntrans-55.1-12.5175.2-83176177.71756.6115.6E387 S388E387-R390 VanDerWaalsContact CD-CZ 3.46Å; E387-R390 WeakPolarHBondContact O-CB 3.32Å; E387-R390 WeakPolarHBondContact O-CG 3.43Å; E387-R390 PolarHBondContact O-N 2.73Å; E387-R390 IonicContact OE1-CZ 3.83Å; E387-R390 IonicContact OE1-NH2 3.86Å; E387-R390 PolarHBondContact OE1-NH2 2.93Å; E387-R390 IonicContact OE2-CZ 3.22Å; E387-R390 VanDerWaalsContact OE2-CZ 3.27Å; E387-R390 IonicContact OE2-NH1 2.84Å; E387-R390 PolarHBondContact OE2-NH1 2.65Å; E387-R390 IonicContact OE2-NH2 2.75Å; E387-R390 PolarHBondContact OE2-NH2 3.07Å; S388-R390 VanDerWaalsContact C-N 3.31Å; S388-R390 PolarHBondContact O-N 3.13Å
391Q48Very low69.9Low195 Ų19567 Ų6791%0.91136%0.359SS*.THydrogen-bonded Turntrans-76.9-26.3176-68-174.83.700112.9D389D389-Q391 PolarHBondContact O-N 2.82Å
392S47Very low70.4Confident58 Ų5863.5 Ų63.541%0.40634%0.341SS..SBendtrans-80129168.566.50000108.3D389 W394D389-S392 PolarHBondContact O-N 2.82Å; D389-S392 PolarHBondContact O-OG 3.41Å; S392-W394 PolarHBondContact O-N 2.93Å
393G52.1Low71Confident57 Ų5763.6 Ų63.659%0.58834%0.342SS*.  trans-50.8135.8-179.400000110.8N395G393-N395 VanDerWaalsContact C-N 3.28Å; G393-N395 PolarHBondContact O-N 2.87Å
394W60.4Low71.8Confident102 Ų10261.9 Ų61.939%0.38633%0.33SS..  trans-60.788.7177.7-85.334.8000110R327 S392R327-W394 HydrophobicContact CB-CE3 3.83Å; R327-W394 HydrophobicContact CB-CH2 3.99Å; R327-W394 HydrophobicContact CB-CZ3 3.5Å; R327-W394 HydrophobicContact CG-CE3 4.47Å; R327-W394 HydrophobicContact CG-CH2 3.89Å; R327-W394 HydrophobicContact CG-CZ2 4.4Å; R327-W394 HydrophobicContact CG-CZ3 3.95Å; S392-W394 PolarHBondContact O-N 2.93Å
395N78.1Confident72.4Confident82 Ų8259.7 Ų59.744%0.43932%0.315SS..  trans-110.2163.4174.36929.7000109.7G393 E397 S398 Q399G393-N395 VanDerWaalsContact C-N 3.28Å; G393-N395 PolarHBondContact O-N 2.87Å; N395-E397 VanDerWaalsContact C-N 3.28Å; N395-E397 PolarHBondContact O-N 3.45Å; N395-E397 PolarHBondContact OD1-N 2.81Å; N395-S398 PolarHBondContact N-OG 2.94Å; N395-S398 PolarHBondContact O-N 2.58Å; N395-S398 PolarHBondContact O-OG 3.37Å; N395-S398 WeakPolarHBondContact OD1-CB 3.26Å; N395-S398 PolarHBondContact OD1-N 3.43Å; N395-S398 PolarHBondContact OD1-OG 2.72Å; N395-S398 VanDerWaalsContact OD1-OG 3.13Å; N395-Q399 PolarHBondContact O-N 3.3Å
396L82.4Confident73.4Confident35 Ų3556.4 Ų56.418%0.18330%0.3CS..Hα-helixtrans-59-38.7-177.4-67.5176000112.4Y225 E357 I360 E361 L364 Q399 W400Y225-L396 HydrophobicContact CE1-CD1 4.24Å; E357-L396 HydrophobicContact CB-CD1 4.49Å; E357-L396 HydrophobicContact CG-CD1 4.46Å; I360-L396 HydrophobicContact CG2-CD2 4.03Å; E361-L396 HydrophobicContact CB-CD2 4.12Å; L364-L396 HydrophobicContact CD1-CD2 3.93Å; L396-Q399 PolarHBondContact O-N 3.01Å; L396-W400 PolarHBondContact O-N 2.87Å
397E84Confident74.3Confident91 Ų9154.9 Ų54.943%0.42529%0.294SS..Hα-helixtrans-62.9-45.2-179.7-63-161132.800112.3N395 Q399 W400 D401 W442 K443N395-E397 VanDerWaalsContact C-N 3.28Å; N395-E397 PolarHBondContact O-N 3.45Å; N395-E397 PolarHBondContact OD1-N 2.81Å; E397-Q399 VanDerWaalsContact C-N 3.29Å; E397-Q399 PolarHBondContact O-N 3.09Å; E397-W400 WeakPolarHBondContact O-CB 3.45Å; E397-W400 PolarHBondContact O-N 2.93Å; E397-W400 VanDerWaalsContact O-N 3.11Å; E397-D401 PolarHBondContact O-N 2.95Å; E397-W442 HydrophobicContact CB-CZ2 4.32Å; E397-W442 HydrophobicContact CG-CZ2 4.35Å; E397-K443 IonicContact OE1-NZ 2.68Å; E397-K443 PolarHBondContact OE1-NZ 3.27Å
398S84.1Confident75.5Confident23 Ų2352.1 Ų52.116%0.16128%0.281CS..Hα-helixtrans-62.6-36.1176.866.30000112.4N395 W400 D401 V402N395-S398 PolarHBondContact N-OG 2.94Å; N395-S398 PolarHBondContact O-N 2.58Å; N395-S398 PolarHBondContact O-OG 3.37Å; N395-S398 WeakPolarHBondContact OD1-CB 3.26Å; N395-S398 PolarHBondContact OD1-N 3.43Å; N395-S398 PolarHBondContact OD1-OG 2.72Å; N395-S398 VanDerWaalsContact OD1-OG 3.13Å; S398-W400 VanDerWaalsContact C-N 3.34Å; S398-D401 PolarHBondContact O-N 3.28Å; S398-V402 WeakPolarHBondContact O-CG2 3.39Å; S398-V402 PolarHBondContact O-N 3.36Å
399Q86.2Confident77.6Confident16 Ų1647.9 Ų47.98%0.07525%0.251CS..Hα-helixtrans-68.2-35.5175-68.8-177.831.600111.6L364 I368 N395 L396 E397 V402 L403L364-Q399 HydrophobicContact CB-CB 4.45Å; L364-Q399 HydrophobicContact CD1-CB 3.86Å; I368-Q399 HydrophobicContact CD1-CB 4.32Å; N395-Q399 PolarHBondContact O-N 3.3Å; L396-Q399 PolarHBondContact O-N 3.01Å; E397-Q399 VanDerWaalsContact C-N 3.29Å; E397-Q399 PolarHBondContact O-N 3.09Å; Q399-V402 PolarHBondContact O-N 2.83Å; Q399-L403 WeakPolarHBondContact O-CB 3.37Å; Q399-L403 PolarHBondContact O-N 2.94Å
400W88Confident79.5Confident3 Ų342.6 Ų42.61%0.01122%0.223CC..Hα-helixtrans-66.1-42.6172.6-83.6109.4000112.7L218 I222 L364 L396 E397 S398 V402 L403 H404 W442 L446L218-W400 HydrophobicContact CB-CH2 3.46Å; L218-W400 VanDerWaalsContact CB-CH2 3.46Å; L218-W400 HydrophobicContact CB-CZ2 3.79Å; L218-W400 HydrophobicContact CD1-CH2 4.44Å; I222-W400 HydrophobicContact CB-CZ2 4.13Å; I222-W400 HydrophobicContact CD1-CG 4.49Å; I222-W400 HydrophobicContact CD1-CZ2 4.34Å; I222-W400 HydrophobicContact CG2-CH2 4.5Å; I222-W400 HydrophobicContact CG2-CZ2 3.84Å; L364-W400 HydrophobicContact CD1-CG 4.47Å; L364-W400 HydrophobicContact CD2-CD2 3.66Å; L364-W400 HydrophobicContact CD2-CE3 3.97Å; L364-W400 HydrophobicContact CD2-CG 4.09Å; L364-W400 HydrophobicContact CD2-CH2 4.35Å; L364-W400 HydrophobicContact CD2-CZ2 4.04Å; L364-W400 HydrophobicContact CD2-CZ3 4.29Å; L396-W400 PolarHBondContact O-N 2.87Å; E397-W400 WeakPolarHBondContact O-CB 3.45Å; E397-W400 PolarHBondContact O-N 2.93Å; E397-W400 VanDerWaalsContact O-N 3.11Å; S398-W400 VanDerWaalsContact C-N 3.34Å; W400-V402 VanDerWaalsContact C-N 3.34Å; W400-V402 PolarHBondContact O-N 3.42Å; W400-L403 HydrophobicContact CE3-CD2 3.97Å; W400-L403 HydrophobicContact CZ3-CD2 3.84Å; W400-L403 PolarHBondContact O-N 2.75Å; W400-H404 VanDerWaalsContact O-CB 3.31Å; W400-H404 WeakPolarHBondContact O-CB 3.43Å; W400-H404 PolarHBondContact O-N 2.82Å; W400-W442 HydrophobicContact CB-CD2 3.89Å; W400-W442 HydrophobicContact CB-CE3 4.03Å; W400-W442 HydrophobicContact CB-CG 4.42Å; W400-W442 HydrophobicContact CB-CH2 4.08Å; W400-W442 HydrophobicContact CB-CZ2 3.98Å; W400-W442 HydrophobicContact CB-CZ3 4.13Å; W400-W442 HydrophobicContact CD2-CE3 4.49Å; W400-W442 HydrophobicContact CD2-CZ3 4.34Å; W400-W442 HydrophobicContact CG-CE3 4.27Å; W400-W442 HydrophobicContact CG-CH2 4.12Å; W400-W442 HydrophobicContact CG-CZ2 4.5Å; W400-W442 HydrophobicContact CG-CZ3 4.03Å; W400-L446 HydrophobicContact CE3-CD1 3.88Å; W400-L446 HydrophobicContact CH2-CD1 4.21Å; W400-L446 HydrophobicContact CZ3-CD1 3.6Å
401D88Confident81.5Confident42 Ų4237.7 Ų37.723%0.22521%0.205CC..Hα-helixtrans-57.7-46.8173.7-78-55.4000111E397 S398 H404 N405 W442E397-D401 PolarHBondContact O-N 2.95Å; S398-D401 PolarHBondContact O-N 3.28Å; D401-H404 WeakPolarHBondContact O-CB 3.42Å; D401-H404 PolarHBondContact O-N 2.85Å; D401-N405 PolarHBondContact O-N 3.01Å; D401-N405 PolarHBondContact O-ND2 2.68Å; D401-W442 PolarHBondContact OD1-NE1 3.39Å; D401-W442 VanDerWaalsContact OD1-NE1 3.11Å
402V88.4Confident83.6Confident33 Ų3328.6 Ų28.620%0.216%0.162CC..Hα-helixtrans-62.6-48.1177.3169.20000111.4I368 F386 S398 Q399 W400 H404 N405 L406I368-V402 HydrophobicContact CD1-CG1 4.31Å; F386-V402 HydrophobicContact CB-CG1 4.2Å; S398-V402 WeakPolarHBondContact O-CG2 3.39Å; S398-V402 PolarHBondContact O-N 3.36Å; Q399-V402 PolarHBondContact O-N 2.83Å; W400-V402 VanDerWaalsContact C-N 3.34Å; W400-V402 PolarHBondContact O-N 3.42Å; V402-H404 VanDerWaalsContact C-N 3.3Å; V402-H404 PolarHBondContact O-N 3.03Å; V402-N405 PolarHBondContact O-N 2.76Å; V402-L406 HydrophobicContact CG1-CD1 3.67Å; V402-L406 HydrophobicContact CG1-CG 4.41Å; V402-L406 WeakPolarHBondContact O-CB 3.06Å; V402-L406 WeakPolarHBondContact O-CG 3.25Å; V402-L406 PolarHBondContact O-N 2.74Å
403L90.8Very high85.7Confident1 Ų125.9 Ų25.91%0.00514%0.143CC..Hα-helixtrans-59-42.8177.817257.3000111.6I215 L218 L364 V367 I368 Q399 W400 N405 L406 Y407I215-L403 HydrophobicContact CG1-CD2 4.41Å; L218-L403 HydrophobicContact CD1-CD2 4.36Å; L364-L403 HydrophobicContact CD2-CB 4.5Å; L364-L403 HydrophobicContact CD2-CD2 3.63Å; V367-L403 HydrophobicContact CB-CD1 4.09Å; V367-L403 HydrophobicContact CB-CD2 4.39Å; V367-L403 HydrophobicContact CG1-CD1 3.37Å; V367-L403 HydrophobicContact CG1-CD2 4.06Å; V367-L403 HydrophobicContact CG1-CG 4.37Å; I368-L403 HydrophobicContact CD1-CB 4.41Å; I368-L403 HydrophobicContact CG1-CB 3.91Å; I368-L403 HydrophobicContact CG1-CD1 4.31Å; Q399-L403 WeakPolarHBondContact O-CB 3.37Å; Q399-L403 PolarHBondContact O-N 2.94Å; W400-L403 HydrophobicContact CE3-CD2 3.97Å; W400-L403 HydrophobicContact CZ3-CD2 3.84Å; W400-L403 PolarHBondContact O-N 2.75Å; L403-N405 PolarHBondContact O-N 3.29Å; L403-L406 PolarHBondContact O-N 3.02Å; L403-Y407 WeakPolarHBondContact O-CB 3.19Å; L403-Y407 PolarHBondContact O-N 3.21Å
404H90.9Very high87.5Confident2 Ų223.6 Ų23.61%0.00912%0.118CC..Hα-helixtrans-57.6-49.9178.3175.871000111.7Y202 W400 D401 V402 Y407 I408 E441 W442 F454Y202-H404 AromaticContact CE2-ND1 3.79Å; Y202-H404 AromaticContact CZ-ND1 3.73Å; Y202-H404 PolarHBondContact OH-ND1 2.84Å; W400-H404 VanDerWaalsContact O-CB 3.31Å; W400-H404 WeakPolarHBondContact O-CB 3.43Å; W400-H404 PolarHBondContact O-N 2.82Å; D401-H404 WeakPolarHBondContact O-CB 3.42Å; D401-H404 PolarHBondContact O-N 2.85Å; V402-H404 VanDerWaalsContact C-N 3.3Å; V402-H404 PolarHBondContact O-N 3.03Å; H404-Y407 PolarHBondContact O-N 3.03Å; H404-I408 VanDerWaalsContact CE1-CD1 3.43Å; H404-I408 WeakPolarHBondContact CE1-CD1 3.46Å; H404-I408 VanDerWaalsContact NE2-CD1 3.3Å; H404-I408 WeakPolarHBondContact NE2-CD1 3.25Å; H404-I408 WeakPolarHBondContact O-CG1 3.08Å; H404-I408 PolarHBondContact O-N 3.4Å; H404-E441 WeakPolarHBondContact NE2-CG 3.28Å; H404-E441 IonicContact NE2-OE2 3.74Å; H404-W442 HydrophobicContact CB-CB 3.63Å; H404-F454 AromaticContact CE1-CE1 3.8Å; H404-F454 AromaticContact CE1-CZ 3.89Å
405N90.9Very high88.9Confident33 Ų3319.2 Ų19.218%0.17610%0.103CC..Hα-helixtrans-65.6-41.9-179.7-67.8-17.7000112.5F386 D401 V402 L403 S409 S437F386-N405 HydrophobicContact CD1-CB 4.41Å; F386-N405 HydrophobicContact CE1-CB 3.86Å; D401-N405 PolarHBondContact O-N 3.01Å; D401-N405 PolarHBondContact O-ND2 2.68Å; V402-N405 PolarHBondContact O-N 2.76Å; L403-N405 PolarHBondContact O-N 3.29Å; N405-S409 WeakPolarHBondContact O-CB 3.3Å; N405-S409 PolarHBondContact O-N 2.97Å; N405-S409 PolarHBondContact O-OG 2.96Å; N405-S437 PolarHBondContact ND2-OG 2.69Å; N405-S437 WeakPolarHBondContact OD1-CB 3.37Å; N405-S437 PolarHBondContact OD1-OG 2.81Å; N405-S437 VanDerWaalsContact OD1-OG 3.09Å
406L91.9Very high89.5Confident1 Ų115.3 Ų15.31%0.0058%0.082CC..Hα-helixtrans-61.1-45.5174.5-82169.6000111.6I368 C371 V372 L375 F386 V402 L403 S409 V410I368-L406 HydrophobicContact CB-CD1 4.31Å; I368-L406 HydrophobicContact CG1-CD1 4.32Å; I368-L406 HydrophobicContact CG2-CD1 3.74Å; C371-L406 HydrophobicContact CB-CB 3.73Å; C371-L406 HydrophobicContact CB-CD1 4.43Å; C371-L406 HydrophobicContact CB-CD2 4.35Å; C371-L406 HydrophobicContact CB-CG 4.43Å; V372-L406 HydrophobicContact CG2-CD1 4.14Å; V372-L406 HydrophobicContact CG2-CD2 3.97Å; L375-L406 HydrophobicContact CD1-CD2 3.52Å; F386-L406 HydrophobicContact CD1-CD2 4.46Å; F386-L406 HydrophobicContact CD1-CG 4.21Å; F386-L406 HydrophobicContact CD2-CD2 3.46Å; F386-L406 VanDerWaalsContact CD2-CD2 3.46Å; F386-L406 HydrophobicContact CD2-CG 4.01Å; F386-L406 HydrophobicContact CE1-CD2 4.25Å; F386-L406 HydrophobicContact CE1-CG 4.14Å; F386-L406 HydrophobicContact CE2-CD2 3.17Å; F386-L406 HydrophobicContact CE2-CG 3.93Å; F386-L406 HydrophobicContact CG-CD2 4.1Å; F386-L406 HydrophobicContact CG-CG 4.14Å; F386-L406 HydrophobicContact CZ-CD2 3.62Å; F386-L406 HydrophobicContact CZ-CG 4Å; V402-L406 HydrophobicContact CG1-CD1 3.67Å; V402-L406 HydrophobicContact CG1-CG 4.41Å; V402-L406 WeakPolarHBondContact O-CB 3.06Å; V402-L406 WeakPolarHBondContact O-CG 3.25Å; V402-L406 PolarHBondContact O-N 2.74Å; L403-L406 PolarHBondContact O-N 3.02Å; L406-S409 WeakPolarHBondContact O-CB 3.35Å; L406-S409 PolarHBondContact O-N 2.76Å; L406-V410 WeakPolarHBondContact O-CG2 3.5Å; L406-V410 PolarHBondContact O-N 3.11Å
407Y91.8Very high89.9Confident0 Ų014.2 Ų14.20%08%0.079CC..Hα-helixtrans-68.8-36.7-178.2-175.9-115.5000112.6P201 Y202 I208 L211 I215 L403 H404 S409 V410 S411P201-Y407 HydrophobicContact CB-CD1 3.83Å; P201-Y407 HydrophobicContact CB-CE1 3.51Å; P201-Y407 WeakPolarHBondContact O-CE1 3.38Å; P201-Y407 PolarHBondContact O-OH 3.33Å; Y202-Y407 HydrophobicContact CD1-CD1 4.24Å; Y202-Y407 AromaticContact CD1-CE1 3.85Å; Y202-Y407 HydrophobicContact CD1-CE1 3.85Å; Y202-Y407 AromaticContact CE1-CD1 3.58Å; Y202-Y407 HydrophobicContact CE1-CD1 3.58Å; Y202-Y407 AromaticContact CE1-CE1 3.67Å; Y202-Y407 HydrophobicContact CE1-CE1 3.67Å; Y202-Y407 AromaticContact CZ-CD1 3.82Å; I208-Y407 HydrophobicContact CD1-CD2 4.33Å; I208-Y407 HydrophobicContact CD1-CE2 3.51Å; I208-Y407 HydrophobicContact CG1-CE2 4.36Å; L211-Y407 HydrophobicContact CB-CE2 4.34Å; L211-Y407 HydrophobicContact CD2-CD2 3.57Å; L211-Y407 HydrophobicContact CD2-CE2 3.68Å; L211-Y407 HydrophobicContact CG-CD2 3.97Å; L211-Y407 HydrophobicContact CG-CE2 3.87Å; I215-Y407 HydrophobicContact CD1-CD1 3.77Å; I215-Y407 HydrophobicContact CD1-CD2 3.4Å; I215-Y407 HydrophobicContact CD1-CE1 3.89Å; I215-Y407 HydrophobicContact CD1-CE2 3.55Å; I215-Y407 HydrophobicContact CD1-CG 3.52Å; L403-Y407 WeakPolarHBondContact O-CB 3.19Å; L403-Y407 PolarHBondContact O-N 3.21Å; H404-Y407 PolarHBondContact O-N 3.03Å; Y407-S409 VanDerWaalsContact C-N 3.34Å; Y407-V410 PolarHBondContact O-N 2.82Å; Y407-S411 WeakPolarHBondContact O-CB 3.33Å; Y407-S411 PolarHBondContact O-N 2.79Å; Y407-S411 PolarHBondContact O-OG 2.87Å
408I92Very high90Very high14 Ų1412.1 Ų12.17%0.0728%0.075CC..Hα-helixtrans-60.1-47.1169.2-73.1166.3000110.2I199 P201 H404 V410 S411 F412 F454 I456I199-I408 HydrophobicContact CD1-CG2 4.3Å; P201-I408 HydrophobicContact CG-CG1 4.27Å; H404-I408 VanDerWaalsContact CE1-CD1 3.43Å; H404-I408 WeakPolarHBondContact CE1-CD1 3.46Å; H404-I408 VanDerWaalsContact NE2-CD1 3.3Å; H404-I408 WeakPolarHBondContact NE2-CD1 3.25Å; H404-I408 WeakPolarHBondContact O-CG1 3.08Å; H404-I408 PolarHBondContact O-N 3.4Å; I408-V410 PolarHBondContact O-N 3.35Å; I408-S411 WeakPolarHBondContact O-CB 3.12Å; I408-S411 PolarHBondContact O-N 2.86Å; I408-S411 VanDerWaalsContact O-N 3.13Å; I408-F412 HydrophobicContact CG2-CD2 3.69Å; I408-F412 HydrophobicContact CG2-CE2 3.65Å; I408-F412 WeakPolarHBondContact O-CD2 3.35Å; I408-F412 PolarHBondContact O-N 3.5Å; I408-F454 HydrophobicContact CD1-CE1 4.42Å; I408-I456 HydrophobicContact CB-CD1 4.46Å; I408-I456 HydrophobicContact CD1-CD1 3.42Å; I408-I456 VanDerWaalsContact CD1-CD1 3.42Å; I408-I456 HydrophobicContact CG1-CD1 3.71Å; I408-I456 HydrophobicContact CG2-CD1 3.88Å
409S92.4Very high90.2Very high3 Ų311.2 Ų11.22%0.0217%0.068CC..Hα-helixtrans-61.9-43-179.9-58.30000111.8N405 L406 Y407 S411 F412 L413N405-S409 WeakPolarHBondContact O-CB 3.3Å; N405-S409 PolarHBondContact O-N 2.97Å; N405-S409 PolarHBondContact O-OG 2.96Å; L406-S409 WeakPolarHBondContact O-CB 3.35Å; L406-S409 PolarHBondContact O-N 2.76Å; Y407-S409 VanDerWaalsContact C-N 3.34Å; S409-S411 VanDerWaalsContact C-N 3.35Å; S409-F412 PolarHBondContact O-N 2.88Å; S409-L413 WeakPolarHBondContact O-CB 3.48Å; S409-L413 PolarHBondContact O-N 2.78Å
410V92.2Very high90.5Very high0 Ų010.5 Ų10.50%06%0.064CC..Hα-helixtrans-63.1-41.5173.3171.30000111.2I208 L211 C371 L374 L375 L406 Y407 I408 F412 L413 V414I208-V410 HydrophobicContact CD1-CG1 4.14Å; I208-V410 HydrophobicContact CG2-CG1 4.35Å; L211-V410 HydrophobicContact CD2-CG1 4.23Å; C371-V410 HydrophobicContact CB-CG2 3.87Å; L374-V410 HydrophobicContact CB-CG2 4.28Å; L374-V410 HydrophobicContact CD1-CG1 3.75Å; L375-V410 HydrophobicContact CD1-CG2 4.13Å; L375-V410 HydrophobicContact CD2-CG2 4.19Å; L375-V410 HydrophobicContact CG-CG2 3.81Å; L406-V410 WeakPolarHBondContact O-CG2 3.5Å; L406-V410 PolarHBondContact O-N 3.11Å; Y407-V410 PolarHBondContact O-N 2.82Å; I408-V410 PolarHBondContact O-N 3.35Å; V410-F412 VanDerWaalsContact C-N 3.34Å; V410-F412 PolarHBondContact O-N 2.87Å; V410-L413 WeakPolarHBondContact O-CB 3.27Å; V410-L413 PolarHBondContact O-N 3.44Å; V410-V414 HydrophobicContact CG1-CG2 4.39Å; V410-V414 WeakPolarHBondContact O-CG2 3.33Å; V410-V414 PolarHBondContact O-N 3.45Å
411S91.3Very high90.7Very high1 Ų111.6 Ų11.61%0.0077%0.073CC..Hα-helixtrans-61.5-42.9177.4-62.50000111.5Y407 I408 S409 V414 C415Y407-S411 WeakPolarHBondContact O-CB 3.33Å; Y407-S411 PolarHBondContact O-N 2.79Å; Y407-S411 PolarHBondContact O-OG 2.87Å; I408-S411 WeakPolarHBondContact O-CB 3.12Å; I408-S411 PolarHBondContact O-N 2.86Å; I408-S411 VanDerWaalsContact O-N 3.13Å; S409-S411 VanDerWaalsContact C-N 3.35Å; S411-V414 PolarHBondContact O-N 2.9Å; S411-C415 PolarHBondContact O-N 2.85Å; S411-C415 VanDerWaalsContact O-N 3.07Å; S411-C415 PolarHBondContact O-SG 2.85Å
412F92.9Very high90.8Very high4 Ų413.6 Ų13.62%0.0188%0.08CC..Hα-helixtrans-66.3-41.8172.6-82.6-60.9000112.5V197 I199 I408 S409 V410 V414 C415 L416 L429 I432 I456 H458V197-F412 HydrophobicContact CG1-CE1 4.38Å; I199-F412 HydrophobicContact CD1-CD1 3.99Å; I199-F412 HydrophobicContact CD1-CD2 3.52Å; I199-F412 HydrophobicContact CD1-CE1 3.79Å; I199-F412 HydrophobicContact CD1-CE2 3.34Å; I199-F412 HydrophobicContact CD1-CG 3.85Å; I199-F412 HydrophobicContact CD1-CZ 3.46Å; I199-F412 VanDerWaalsContact CD1-CZ 3.46Å; I199-F412 HydrophobicContact CG1-CD1 4.5Å; I199-F412 HydrophobicContact CG1-CE1 3.94Å; I199-F412 HydrophobicContact CG1-CE2 4.1Å; I199-F412 HydrophobicContact CG1-CZ 3.71Å; I199-F412 HydrophobicContact CG2-CD1 4.04Å; I199-F412 HydrophobicContact CG2-CE1 3.93Å; I408-F412 HydrophobicContact CG2-CD2 3.69Å; I408-F412 HydrophobicContact CG2-CE2 3.65Å; I408-F412 WeakPolarHBondContact O-CD2 3.35Å; I408-F412 PolarHBondContact O-N 3.5Å; S409-F412 PolarHBondContact O-N 2.88Å; V410-F412 VanDerWaalsContact C-N 3.34Å; V410-F412 PolarHBondContact O-N 2.87Å; F412-V414 PolarHBondContact O-N 3.42Å; F412-C415 PolarHBondContact O-N 2.77Å; F412-L416 HydrophobicContact CB-CD1 4.11Å; F412-L416 HydrophobicContact CD1-CD1 4.31Å; F412-L416 HydrophobicContact CD1-CG 4.5Å; F412-L416 WeakPolarHBondContact O-CB 3.33Å; F412-L416 VanDerWaalsContact O-CG 3.28Å; F412-L416 WeakPolarHBondContact O-CG 3.48Å; F412-L416 PolarHBondContact O-N 2.86Å; F412-L429 HydrophobicContact CB-CD2 4.02Å; F412-I432 HydrophobicContact CB-CD1 3.98Å; F412-I432 HydrophobicContact CD1-CD1 4.3Å; F412-I432 HydrophobicContact CD2-CD1 4Å; F412-I432 HydrophobicContact CD2-CG2 3.85Å; F412-I432 HydrophobicContact CE2-CG2 4.33Å; F412-I432 HydrophobicContact CG-CD1 3.84Å; F412-I456 HydrophobicContact CE2-CG2 4.04Å; F412-I456 HydrophobicContact CZ-CB 4.33Å; F412-I456 HydrophobicContact CZ-CG2 3.77Å; F412-H458 HydrophobicContact CD1-CB 4.44Å; F412-H458 HydrophobicContact CE1-CB 3.48Å; F412-H458 VanDerWaalsContact CE1-CB 3.48Å; F412-H458 HydrophobicContact CE2-CB 4.49Å; F412-H458 HydrophobicContact CZ-CB 3.51Å
413L91.9Very high90.9Very high0 Ų015.7 Ų15.70%010%0.096CC..Hα-helixtrans-53.6-47.4176.3163.262.1000110.6F274 L375 M378 S409 V410 G417 L425 L429F274-L413 HydrophobicContact CE1-CD2 3.92Å; F274-L413 HydrophobicContact CE1-CG 4.23Å; F274-L413 HydrophobicContact CZ-CD2 4.24Å; F274-L413 HydrophobicContact CZ-CG 4.05Å; L375-L413 HydrophobicContact CD2-CB 4.49Å; L375-L413 HydrophobicContact CD2-CD2 4.17Å; M378-L413 HydrophobicContact CB-CD1 4.27Å; M378-L413 HydrophobicContact CE-CD1 4.45Å; M378-L413 HydrophobicContact CG-CD1 3.67Å; S409-L413 WeakPolarHBondContact O-CB 3.48Å; S409-L413 PolarHBondContact O-N 2.78Å; V410-L413 WeakPolarHBondContact O-CB 3.27Å; V410-L413 PolarHBondContact O-N 3.44Å; L413-G417 WeakPolarHBondContact O-CA 3.19Å; L413-G417 PolarHBondContact O-N 2.79Å; L413-L425 HydrophobicContact CD1-CD2 3.93Å; L413-L425 HydrophobicContact CD1-CG 4.47Å; L413-L429 HydrophobicContact CB-CD1 3.85Å; L413-L429 HydrophobicContact CB-CD2 4.07Å; L413-L429 HydrophobicContact CD1-CD1 3.63Å; L413-L429 HydrophobicContact CG-CD1 4.3Å
414V88.6Confident91.1Very high9 Ų916.7 Ų16.76%0.05510%0.103CC..Hα-helixtrans-65.1-501801710000111.4L207 I208 F274 V410 S411 F412L207-V414 HydrophobicContact CB-CG1 3.45Å; L207-V414 VanDerWaalsContact CB-CG1 3.45Å; L207-V414 HydrophobicContact CD1-CG1 3.4Å; L207-V414 HydrophobicContact CG-CG1 3.99Å; I208-V414 HydrophobicContact CG2-CG2 3.8Å; F274-V414 HydrophobicContact CD1-CG2 4.35Å; F274-V414 HydrophobicContact CD2-CG2 3.71Å; F274-V414 HydrophobicContact CE1-CG2 4.35Å; F274-V414 HydrophobicContact CE2-CB 4.3Å; F274-V414 HydrophobicContact CE2-CG2 3.68Å; F274-V414 HydrophobicContact CG-CG2 4.05Å; F274-V414 HydrophobicContact CZ-CG2 4.02Å; V410-V414 HydrophobicContact CG1-CG2 4.39Å; V410-V414 WeakPolarHBondContact O-CG2 3.33Å; V410-V414 PolarHBondContact O-N 3.45Å; S411-V414 PolarHBondContact O-N 2.9Å; F412-V414 PolarHBondContact O-N 3.42Å
415C89.6Confident91.2Very high10 Ų1016.6 Ų16.67%0.06810%0.102CC..Hα-helixtrans-66.4-52.4-178.1-71.90000111.7H169 V197 I199 S411 F412 G417 S418H169-C415 HydrophobicContact CB-CB 3.86Å; V197-C415 HydrophobicContact CG1-CB 4.13Å; I199-C415 HydrophobicContact CG2-CB 4.17Å; S411-C415 PolarHBondContact O-N 2.85Å; S411-C415 VanDerWaalsContact O-N 3.07Å; S411-C415 PolarHBondContact O-SG 2.85Å; F412-C415 PolarHBondContact O-N 2.77Å; C415-G417 PolarHBondContact O-N 3.38Å; C415-S418 PolarHBondContact O-N 2.96Å; C415-S418 PolarHBondContact O-OG 2.82Å
416L92Very high91.3Very high0 Ų016.6 Ų16.60%010%0.102CC..Hα-helixtrans-66-37.4-178.4-65.7172.8000112L195 V197 F412 S418 M419 I420 L425 I432 F460L195-L416 HydrophobicContact CD2-CD2 4.34Å; V197-L416 HydrophobicContact CB-CD2 4.43Å; V197-L416 HydrophobicContact CG2-CD2 3.61Å; F412-L416 HydrophobicContact CB-CD1 4.11Å; F412-L416 HydrophobicContact CD1-CD1 4.31Å; F412-L416 HydrophobicContact CD1-CG 4.5Å; F412-L416 WeakPolarHBondContact O-CB 3.33Å; F412-L416 VanDerWaalsContact O-CG 3.28Å; F412-L416 WeakPolarHBondContact O-CG 3.48Å; F412-L416 PolarHBondContact O-N 2.86Å; L416-S418 PolarHBondContact O-N 3.2Å; L416-M419 HydrophobicContact CD2-CE 4.15Å; L416-M419 PolarHBondContact O-N 2.79Å; L416-I420 HydrophobicContact CB-CD1 3.96Å; L416-I420 HydrophobicContact CB-CG1 4.36Å; L416-I420 HydrophobicContact CD2-CD1 4.24Å; L416-I420 WeakPolarHBondContact O-CG1 3.41Å; L416-I420 PolarHBondContact O-N 2.83Å; L416-L425 HydrophobicContact CB-CD1 3.4Å; L416-L425 HydrophobicContact CD1-CD1 4.32Å; L416-L425 HydrophobicContact CG-CD1 4.5Å; L416-I432 HydrophobicContact CD1-CD1 4.09Å; L416-F460 HydrophobicContact CD2-CE1 3.71Å; L416-F460 HydrophobicContact CD2-CZ 3.89Å
417G89.2Confident91.3Very high13 Ų1319.5 Ų19.513%0.13412%0.122CC..Hα-helixtrans-61.2-19.2-178.400000114.8L413 C415L413-G417 WeakPolarHBondContact O-CA 3.19Å; L413-G417 PolarHBondContact O-N 2.79Å; C415-G417 PolarHBondContact O-N 3.38Å
418S85.9Confident91.4Very high47 Ų4720 Ų2033%0.32913%0.125SC..THydrogen-bonded Turntrans-86.2-12.9172.372.50000114.4S168 H169 C415 L416S168-S418 PolarHBondContact OG-OG 2.94Å; H169-S418 PolarHBondContact CD2-OG 3.46Å; C415-S418 PolarHBondContact O-N 2.96Å; C415-S418 PolarHBondContact O-OG 2.82Å; L416-S418 PolarHBondContact O-N 3.2Å
419M89.2Confident91.5Very high4 Ų419.3 Ų19.32%0.0212%0.121CC..THydrogen-bonded Turntrans-115.4-30.8-169.6-63.3-171.5-64.900113.3L167 H169 G170 L195 V197 L416 L467 V468L167-M419 HydrophobicContact CB-CG 4.22Å; L167-M419 HydrophobicContact CB-SD 3.68Å; L167-M419 HydrophobicContact CD1-CB 4.24Å; L167-M419 HydrophobicContact CD1-CG 4.25Å; L167-M419 HydrophobicContact CD1-SD 4Å; H169-M419 HydrophobicContact CB-CE 3.98Å; H169-M419 HydrophobicContact CB-SD 4.07Å; G170-M419 PolarHBondContact N-SD 2.82Å; L195-M419 HydrophobicContact CD2-CE 4.45Å; V197-M419 HydrophobicContact CB-CE 4.42Å; V197-M419 HydrophobicContact CG1-CE 4.09Å; V197-M419 HydrophobicContact CG2-CE 3.44Å; V197-M419 VanDerWaalsContact CG2-CE 3.44Å; L416-M419 HydrophobicContact CD2-CE 4.15Å; L416-M419 PolarHBondContact O-N 2.79Å; M419-L467 CarbonylContact O-C 3.51Å; M419-L467 WeakPolarHBondContact O-CA 3.41Å; M419-V468 PolarHBondContact O-N 3.07Å
420I92.4Very high91.5Very high0 Ų024.9 Ų24.90%014%0.142CC..BIsolated β-bridgetrans-130.8155.6-169.675.6-173.2000112.5L195 L416 L425 F460 L462 E466 L467 V468L195-I420 HydrophobicContact CD2-CG2 3.37Å; L416-I420 HydrophobicContact CB-CD1 3.96Å; L416-I420 HydrophobicContact CB-CG1 4.36Å; L416-I420 HydrophobicContact CD2-CD1 4.24Å; L416-I420 WeakPolarHBondContact O-CG1 3.41Å; L416-I420 PolarHBondContact O-N 2.83Å; I420-L425 HydrophobicContact CD1-CB 4.05Å; I420-L425 HydrophobicContact CD1-CD1 4.17Å; I420-L425 HydrophobicContact CG1-CB 3.91Å; I420-L425 HydrophobicContact CG1-CD1 4.34Å; I420-F460 HydrophobicContact CD1-CE2 4.3Å; I420-F460 HydrophobicContact CD1-CZ 3.88Å; I420-F460 HydrophobicContact CG2-CZ 4.48Å; I420-L462 HydrophobicContact CB-CD2 4.05Å; I420-L462 HydrophobicContact CG2-CD2 3.44Å; I420-L462 VanDerWaalsContact CG2-CD2 3.44Å; I420-E466 CarbonylContact C-O 3.16Å; I420-E466 WeakPolarHBondContact CA-O 3.49Å; I420-L467 HydrophobicContact CG2-CD2 4.37Å; I420-V468 WeakPolarHBondContact O-CG2 3.23Å
421S91.8Very high91.5Very high27 Ų2730.1 Ų30.119%0.18916%0.164CC..  trans-57.8157179.780.80000111.5S423 S424 L425 E466S421-S423 VanDerWaalsContact C-N 3.33Å; S421-S423 PolarHBondContact O-N 3.38Å; S421-S423 PolarHBondContact OG-OG 3.34Å; S421-S423 VanDerWaalsContact OG-OG 3.06Å; S421-S424 PolarHBondContact O-N 2.82Å; S421-S424 WeakPolarHBondContact OG-CB 3.3Å; S421-S424 PolarHBondContact OG-N 2.59Å; S421-S424 PolarHBondContact OG-OG 3.19Å; S421-L425 VanDerWaalsContact O-CB 3.23Å; S421-L425 WeakPolarHBondContact O-CB 3.26Å; S421-L425 PolarHBondContact O-N 3.01Å; S421-E466 WeakPolarHBondContact CB-O 3.26Å; S421-E466 WeakPolarHBondContact CB-OE2 3.29Å; S421-E466 PolarHBondContact N-O 2.82Å; S421-E466 PolarHBondContact OG-OE2 3.09Å
422K90.4Very high91.5Very high84 Ų8430.6 Ų30.637%0.36517%0.167SC..Hα-helixtrans-60.5-40.2-180-175.7174.1-179.7174.40112.8G267 I426G267-K422 PolarHBondContact O-NZ 2.76Å; K422-I426 HydrophobicContact CG-CD1 3.89Å; K422-I426 VanDerWaalsContact O-CG1 3.27Å; K422-I426 WeakPolarHBondContact O-CG1 3.3Å; K422-I426 PolarHBondContact O-N 2.86Å
423S91.3Very high91.4Very high77 Ų7730.9 Ų30.954%0.53817%0.168SC..Hα-helixtrans-62.6-48.617836.40000111.9S421 I426 S427 E466S421-S423 VanDerWaalsContact C-N 3.33Å; S421-S423 PolarHBondContact O-N 3.38Å; S421-S423 PolarHBondContact OG-OG 3.34Å; S421-S423 VanDerWaalsContact OG-OG 3.06Å; S423-I426 PolarHBondContact O-N 3.17Å; S423-S427 WeakPolarHBondContact O-CB 3.37Å; S423-S427 PolarHBondContact O-N 2.81Å; S423-S427 VanDerWaalsContact O-N 3.09Å; S423-E466 PolarHBondContact OG-OE2 3.35Å
424S93.5Very high91.2Very high22 Ų2234.2 Ų34.215%0.15420%0.196CC..Hα-helixtrans-66.6-39.7179.4-71.10000111.4S421 S427 E428 L462 E466S421-S424 PolarHBondContact O-N 2.82Å; S421-S424 WeakPolarHBondContact OG-CB 3.3Å; S421-S424 PolarHBondContact OG-N 2.59Å; S421-S424 PolarHBondContact OG-OG 3.19Å; S424-S427 PolarHBondContact O-N 3.21Å; S424-E428 WeakPolarHBondContact O-CB 3.44Å; S424-E428 PolarHBondContact O-N 2.65Å; S424-L462 WeakPolarHBondContact OG-CD1 3.45Å; S424-E466 PolarHBondContact OG-OE2 3.22Å
425L93.2Very high91Very high0 Ų039.2 Ų39.20%022%0.219CC..Hα-helixtrans-58-51.2173.4-178.865.5000112.8M378 L413 L416 I420 S421 S427 E428 L429M378-L425 HydrophobicContact CE-CD2 4.15Å; L413-L425 HydrophobicContact CD1-CD2 3.93Å; L413-L425 HydrophobicContact CD1-CG 4.47Å; L416-L425 HydrophobicContact CB-CD1 3.4Å; L416-L425 HydrophobicContact CD1-CD1 4.32Å; L416-L425 HydrophobicContact CG-CD1 4.5Å; I420-L425 HydrophobicContact CD1-CB 4.05Å; I420-L425 HydrophobicContact CD1-CD1 4.17Å; I420-L425 HydrophobicContact CG1-CB 3.91Å; I420-L425 HydrophobicContact CG1-CD1 4.34Å; S421-L425 VanDerWaalsContact O-CB 3.23Å; S421-L425 WeakPolarHBondContact O-CB 3.26Å; S421-L425 PolarHBondContact O-N 3.01Å; L425-S427 VanDerWaalsContact C-N 3.34Å; L425-S427 PolarHBondContact O-N 2.87Å; L425-E428 PolarHBondContact O-N 3.39Å; L425-L429 HydrophobicContact CD1-CD1 3.72Å; L425-L429 HydrophobicContact CD1-CG 3.94Å; L425-L429 HydrophobicContact CG-CD1 3.75Å; L425-L429 HydrophobicContact CG-CG 4.32Å; L425-L429 VanDerWaalsContact O-CB 3.28Å; L425-L429 WeakPolarHBondContact O-CB 3.38Å; L425-L429 VanDerWaalsContact O-CG 3.31Å; L425-L429 WeakPolarHBondContact O-CG 3.34Å; L425-L429 PolarHBondContact O-N 3.47Å
426I92.8Very high90.6Very high33 Ų3348.2 Ų48.217%0.16926%0.257CS..Hα-helixtrans-61.8-45.5-179.6-71.9167.2000110.6I379 K422 S423 E428 R430I379-I426 HydrophobicContact CG1-CG1 4.37Å; I379-I426 HydrophobicContact CG1-CG2 4.28Å; K422-I426 HydrophobicContact CG-CD1 3.89Å; K422-I426 VanDerWaalsContact O-CG1 3.27Å; K422-I426 WeakPolarHBondContact O-CG1 3.3Å; K422-I426 PolarHBondContact O-N 2.86Å; S423-I426 PolarHBondContact O-N 3.17Å; I426-E428 VanDerWaalsContact C-N 3.33Å; I426-E428 PolarHBondContact O-N 3.04Å; I426-R430 WeakPolarHBondContact O-CG 3.44Å; I426-R430 PolarHBondContact O-N 2.81Å; I426-R430 VanDerWaalsContact O-N 3.16Å
427S93.3Very high89.9Confident61 Ų6149.9 Ų49.943%0.42727%0.268SS..Hα-helixtrans-59.3-46178.3174.20000111.3S423 S424 L425 K431S423-S427 WeakPolarHBondContact O-CB 3.37Å; S423-S427 PolarHBondContact O-N 2.81Å; S423-S427 VanDerWaalsContact O-N 3.09Å; S424-S427 PolarHBondContact O-N 3.21Å; L425-S427 VanDerWaalsContact C-N 3.34Å; L425-S427 PolarHBondContact O-N 2.87Å; S427-K431 PolarHBondContact O-N 3.43Å
428E94.7Very high89.6Confident11 Ų1156.1 Ų56.15%0.05129%0.294CS..Hα-helixtrans-75.4-40.9-175.9-162.157.5-151.100112.9S424 L425 I426 R430 K431 I432 H458 F460S424-E428 WeakPolarHBondContact O-CB 3.44Å; S424-E428 PolarHBondContact O-N 2.65Å; L425-E428 PolarHBondContact O-N 3.39Å; I426-E428 VanDerWaalsContact C-N 3.33Å; I426-E428 PolarHBondContact O-N 3.04Å; E428-R430 VanDerWaalsContact C-N 3.27Å; E428-R430 PolarHBondContact O-N 2.86Å; E428-K431 WeakPolarHBondContact O-CB 3.45Å; E428-K431 PolarHBondContact O-N 2.92Å; E428-K431 WeakPolarHBondContact OE2-CD 3.46Å; E428-K431 WeakPolarHBondContact OE2-CE 3.29Å; E428-K431 IonicContact OE2-NZ 3.43Å; E428-K431 PolarHBondContact OE2-NZ 3.43Å; E428-I432 HydrophobicContact CG-CD1 4.47Å; E428-I432 WeakPolarHBondContact O-CG1 3.41Å; E428-I432 PolarHBondContact O-N 3.12Å; E428-H458 IonicContact OE1-CD2 3.7Å; E428-H458 IonicContact OE1-CE1 3.92Å; E428-H458 PolarHBondContact OE1-CE1 2.83Å; E428-H458 VanDerWaalsContact OE1-CE1 3.23Å; E428-H458 IonicContact OE1-NE2 2.69Å; E428-H458 PolarHBondContact OE1-NE2 3.32Å; E428-F460 HydrophobicContact CB-CE2 4.47Å; E428-F460 HydrophobicContact CG-CD1 3.99Å; E428-F460 HydrophobicContact CG-CD2 3.96Å; E428-F460 HydrophobicContact CG-CE1 4.11Å; E428-F460 HydrophobicContact CG-CE2 4.06Å; E428-F460 HydrophobicContact CG-CG 3.91Å; E428-F460 HydrophobicContact CG-CZ 4.12Å
429L93.1Very high89.3Confident0 Ų063 Ų630%032%0.318CS..Hα-helixtrans-59-38.5174.8-78.2175.3000112.2I379 F412 L413 L425 K431 I432 M433I379-L429 HydrophobicContact CD1-CB 3.64Å; I379-L429 HydrophobicContact CD1-CD1 4.28Å; F412-L429 HydrophobicContact CB-CD2 4.02Å; L413-L429 HydrophobicContact CB-CD1 3.85Å; L413-L429 HydrophobicContact CB-CD2 4.07Å; L413-L429 HydrophobicContact CD1-CD1 3.63Å; L413-L429 HydrophobicContact CG-CD1 4.3Å; L425-L429 HydrophobicContact CD1-CD1 3.72Å; L425-L429 HydrophobicContact CD1-CG 3.94Å; L425-L429 HydrophobicContact CG-CD1 3.75Å; L425-L429 HydrophobicContact CG-CG 4.32Å; L425-L429 VanDerWaalsContact O-CB 3.28Å; L425-L429 WeakPolarHBondContact O-CB 3.38Å; L425-L429 VanDerWaalsContact O-CG 3.31Å; L425-L429 WeakPolarHBondContact O-CG 3.34Å; L425-L429 PolarHBondContact O-N 3.47Å; L429-K431 VanDerWaalsContact C-N 3.28Å; L429-K431 PolarHBondContact O-N 2.6Å; L429-I432 HydrophobicContact CD2-CD1 4.41Å; L429-I432 PolarHBondContact O-N 2.86Å; L429-M433 WeakPolarHBondContact O-CB 3.36Å; L429-M433 VanDerWaalsContact O-CG 3.22Å; L429-M433 WeakPolarHBondContact O-CG 3.49Å; L429-M433 PolarHBondContact O-N 3.15Å
430R92.6Very high88.8Confident120 Ų12065.2 Ų65.245%0.45333%0.33SS..Hα-helixtrans-60.9-37.2174-76.1177.5177.4154-0.7112.6I379 F385 I426 E428 A434I379-R430 HydrophobicContact CD1-CG 4.07Å; I379-R430 HydrophobicContact CG2-CG 4.47Å; F385-R430 HydrophobicContact CZ-CG 4.07Å; I426-R430 WeakPolarHBondContact O-CG 3.44Å; I426-R430 PolarHBondContact O-N 2.81Å; I426-R430 VanDerWaalsContact O-N 3.16Å; E428-R430 VanDerWaalsContact C-N 3.27Å; E428-R430 PolarHBondContact O-N 2.86Å; R430-A434 WeakPolarHBondContact O-CB 3.06Å; R430-A434 PolarHBondContact O-N 2.77Å; R430-A434 VanDerWaalsContact O-N 3.1Å
431K92.2Very high88.6Confident110 Ų11067.2 Ų67.248%0.47834%0.339SS..Hα-helixtrans-66.7-44.8175.2-62.4178.9-161.9157.50110.8S427 E428 L429 A434 Q435S427-K431 PolarHBondContact O-N 3.43Å; E428-K431 WeakPolarHBondContact O-CB 3.45Å; E428-K431 PolarHBondContact O-N 2.92Å; E428-K431 WeakPolarHBondContact OE2-CD 3.46Å; E428-K431 WeakPolarHBondContact OE2-CE 3.29Å; E428-K431 IonicContact OE2-NZ 3.43Å; E428-K431 PolarHBondContact OE2-NZ 3.43Å; L429-K431 VanDerWaalsContact C-N 3.28Å; L429-K431 PolarHBondContact O-N 2.6Å; K431-A434 PolarHBondContact O-N 3.04Å; K431-Q435 WeakPolarHBondContact O-CG 3.42Å; K431-Q435 PolarHBondContact O-N 3.28Å
432I91.7Very high88.3Confident10 Ų1065.9 Ų65.95%0.05133%0.33CS..Hα-helixtrans-59.8-48.7177.7-65.8168.1000110.2F412 L416 E428 L429 A434 Q435F412-I432 HydrophobicContact CB-CD1 3.98Å; F412-I432 HydrophobicContact CD1-CD1 4.3Å; F412-I432 HydrophobicContact CD2-CD1 4Å; F412-I432 HydrophobicContact CD2-CG2 3.85Å; F412-I432 HydrophobicContact CE2-CG2 4.33Å; F412-I432 HydrophobicContact CG-CD1 3.84Å; L416-I432 HydrophobicContact CD1-CD1 4.09Å; E428-I432 HydrophobicContact CG-CD1 4.47Å; E428-I432 WeakPolarHBondContact O-CG1 3.41Å; E428-I432 PolarHBondContact O-N 3.12Å; L429-I432 HydrophobicContact CD2-CD1 4.41Å; L429-I432 PolarHBondContact O-N 2.86Å; I432-A434 PolarHBondContact O-N 3.47Å; I432-Q435 WeakPolarHBondContact O-CB 3.5Å; I432-Q435 PolarHBondContact O-N 2.96Å; I432-Q435 VanDerWaalsContact O-N 3.11Å
433M90Very high88.1Confident10 Ų1064.4 Ų64.45%0.04932%0.323CS..Hα-helixtrans-64.7-26.9179.4-68167.471.600113.4L375 I379 F385 F386 L429 Q435L375-M433 HydrophobicContact CD1-CE 4.39Å; L375-M433 HydrophobicContact CD2-SD 4.49Å; I379-M433 HydrophobicContact CD1-SD 3.88Å; F385-M433 HydrophobicContact CB-CB 4.44Å; F385-M433 HydrophobicContact CB-CE 3.97Å; F385-M433 HydrophobicContact CD1-CB 4.11Å; F385-M433 HydrophobicContact CD2-CE 3.57Å; F385-M433 HydrophobicContact CE2-CE 4.21Å; F385-M433 HydrophobicContact CG-CB 4.28Å; F385-M433 HydrophobicContact CG-CE 3.79Å; F386-M433 HydrophobicContact CE2-CE 3.55Å; F386-M433 HydrophobicContact CZ-CB 4.26Å; F386-M433 HydrophobicContact CZ-CE 4.01Å; F386-M433 HydrophobicContact CZ-CG 4.16Å; L429-M433 WeakPolarHBondContact O-CB 3.36Å; L429-M433 VanDerWaalsContact O-CG 3.22Å; L429-M433 WeakPolarHBondContact O-CG 3.49Å; L429-M433 PolarHBondContact O-N 3.15Å; M433-Q435 VanDerWaalsContact C-N 3.32Å
434A87.5Confident87.7Confident70 Ų7064.3 Ų64.358%0.57932%0.323SS*.THydrogen-bonded Turntrans-80.8-10.817700000113.5R430 K431 I432R430-A434 WeakPolarHBondContact O-CB 3.06Å; R430-A434 PolarHBondContact O-N 2.77Å; R430-A434 VanDerWaalsContact O-N 3.1Å; K431-A434 PolarHBondContact O-N 3.04Å; I432-A434 PolarHBondContact O-N 3.47Å
435Q85.9Confident87.3Confident115 Ų11563.3 Ų63.354%0.53732%0.316SS..SBendtrans-73.9135.5176.2-69.8172.22.700110.3K431 I432 M433K431-Q435 WeakPolarHBondContact O-CG 3.42Å; K431-Q435 PolarHBondContact O-N 3.28Å; I432-Q435 WeakPolarHBondContact O-CB 3.5Å; I432-Q435 PolarHBondContact O-N 2.96Å; I432-Q435 VanDerWaalsContact O-N 3.11Å; M433-Q435 VanDerWaalsContact C-N 3.32Å
436K79.5Confident86.6Confident199 Ų19963.5 Ų63.587%0.86532%0.317SS*.PPolyproline II helixtrans-81.4128.2171.2-66.2-169.5176.8-168.20109.2
437S77.9Confident85.8Confident34 Ų3465.1 Ų65.124%0.23832%0.321CS..PPolyproline II helixtrans-64.2157.6169.947.70000111.6N405 E441N405-S437 PolarHBondContact ND2-OG 2.69Å; N405-S437 WeakPolarHBondContact OD1-CB 3.37Å; N405-S437 PolarHBondContact OD1-OG 2.81Å; N405-S437 VanDerWaalsContact OD1-OG 3.09Å; S437-E441 VanDerWaalsContact CB-OE2 3.29Å; S437-E441 WeakPolarHBondContact CB-OE2 3.35Å
438Q82.8Confident84.6Confident145 Ų14565 Ų6568%0.67831%0.314SS*.PPolyproline II helixtrans-68.5147.2170.8-61.3-1760.300109.6N440 E441Q438-N440 PolarHBondContact O-N 3.21Å; Q438-E441 HydrophobicContact CB-CB 4.15Å; Q438-E441 PolarHBondContact N-OE2 2.8Å; Q438-E441 VanDerWaalsContact N-OE2 3.14Å; Q438-E441 VanDerWaalsContact O-CB 3.26Å; Q438-E441 WeakPolarHBondContact O-CB 3.41Å; Q438-E441 PolarHBondContact O-N 3.01Å
439K79.8Confident82.9Confident192 Ų19269.4 Ų69.484%0.83534%0.343SS*.THydrogen-bonded Turntrans-56.4126.2178.6-174.9-179.1-179.6178.60109.9E441K439-E441 PolarHBondContact O-N 3.33Å
440N79.5Confident81.4Confident50 Ų5075 Ų7527%0.26737%0.373SS..THydrogen-bonded Turntrans61.320.1-178.2-61-61.4000115.1Q438 W442 K443Q438-N440 PolarHBondContact O-N 3.21Å; N440-W442 PolarHBondContact O-N 3.24Å; N440-K443 HydrophobicContact CB-CB 4.48Å; N440-K443 HydrophobicContact CB-CD 3.99Å; N440-K443 HydrophobicContact CB-CG 4.2Å; N440-K443 WeakPolarHBondContact O-CB 3.32Å; N440-K443 PolarHBondContact O-N 2.92Å; N440-K443 VanDerWaalsContact OD1-CE 3.27Å; N440-K443 WeakPolarHBondContact OD1-CE 3.45Å; N440-K443 PolarHBondContact OD1-NZ 2.87Å; N440-K443 VanDerWaalsContact OD1-NZ 3.1Å
441E86.9Confident80.1Confident41 Ų4176.5 Ų76.519%0.19239%0.39CS..Hα-helixtrans-54.9-38.2177.6-173.7170.4-156.900112.3H404 S437 Q438 K439 K443 S444 A445 F454H404-E441 WeakPolarHBondContact NE2-CG 3.28Å; H404-E441 IonicContact NE2-OE2 3.74Å; S437-E441 VanDerWaalsContact CB-OE2 3.29Å; S437-E441 WeakPolarHBondContact CB-OE2 3.35Å; Q438-E441 HydrophobicContact CB-CB 4.15Å; Q438-E441 PolarHBondContact N-OE2 2.8Å; Q438-E441 VanDerWaalsContact N-OE2 3.14Å; Q438-E441 VanDerWaalsContact O-CB 3.26Å; Q438-E441 WeakPolarHBondContact O-CB 3.41Å; Q438-E441 PolarHBondContact O-N 3.01Å; K439-E441 PolarHBondContact O-N 3.33Å; E441-K443 PolarHBondContact O-N 3.19Å; E441-S444 PolarHBondContact O-N 3.01Å; E441-S444 VanDerWaalsContact O-N 3.12Å; E441-A445 WeakPolarHBondContact O-CB 3.3Å; E441-A445 PolarHBondContact O-N 3.03Å; E441-F454 HydrophobicContact CG-CE2 3.94Å; E441-F454 HydrophobicContact CG-CZ 3.83Å
442W86.2Confident79.3Confident0 Ų078.5 Ų78.50%040%0.399CS..Hα-helixtrans-56.4-32.217568.5-89.1000113.7I222 E397 W400 D401 H404 N440 A445 L446I222-W442 HydrophobicContact CD1-CH2 4.07Å; I222-W442 HydrophobicContact CD1-CZ3 4.18Å; E397-W442 HydrophobicContact CB-CZ2 4.32Å; E397-W442 HydrophobicContact CG-CZ2 4.35Å; W400-W442 HydrophobicContact CB-CD2 3.89Å; W400-W442 HydrophobicContact CB-CE3 4.03Å; W400-W442 HydrophobicContact CB-CG 4.42Å; W400-W442 HydrophobicContact CB-CH2 4.08Å; W400-W442 HydrophobicContact CB-CZ2 3.98Å; W400-W442 HydrophobicContact CB-CZ3 4.13Å; W400-W442 HydrophobicContact CD2-CE3 4.49Å; W400-W442 HydrophobicContact CD2-CZ3 4.34Å; W400-W442 HydrophobicContact CG-CE3 4.27Å; W400-W442 HydrophobicContact CG-CH2 4.12Å; W400-W442 HydrophobicContact CG-CZ2 4.5Å; W400-W442 HydrophobicContact CG-CZ3 4.03Å; D401-W442 PolarHBondContact OD1-NE1 3.39Å; D401-W442 VanDerWaalsContact OD1-NE1 3.11Å; H404-W442 HydrophobicContact CB-CB 3.63Å; N440-W442 PolarHBondContact O-N 3.24Å; W442-A445 PolarHBondContact O-N 3.06Å; W442-L446 HydrophobicContact CE3-CD1 4.02Å; W442-L446 WeakPolarHBondContact O-CB 3.44Å; W442-L446 WeakPolarHBondContact O-CG 3.36Å; W442-L446 PolarHBondContact O-N 2.83Å
443K85.3Confident78.8Confident52 Ų5280.5 Ų80.523%0.22641%0.413CS..Hα-helixtrans-66.3-54.2176.3-63.1-174.8-178.4167.60108.5E397 N440 E441 A445 L446 Y447E397-K443 IonicContact OE1-NZ 2.68Å; E397-K443 PolarHBondContact OE1-NZ 3.27Å; N440-K443 HydrophobicContact CB-CB 4.48Å; N440-K443 HydrophobicContact CB-CD 3.99Å; N440-K443 HydrophobicContact CB-CG 4.2Å; N440-K443 WeakPolarHBondContact O-CB 3.32Å; N440-K443 PolarHBondContact O-N 2.92Å; N440-K443 VanDerWaalsContact OD1-CE 3.27Å; N440-K443 WeakPolarHBondContact OD1-CE 3.45Å; N440-K443 PolarHBondContact OD1-NZ 2.87Å; N440-K443 VanDerWaalsContact OD1-NZ 3.1Å; E441-K443 PolarHBondContact O-N 3.19Å; K443-A445 PolarHBondContact O-N 2.94Å; K443-L446 PolarHBondContact O-N 3.09Å; K443-Y447 HydrophobicContact CB-CD2 4.32Å; K443-Y447 WeakPolarHBondContact O-CB 3.11Å; K443-Y447 WeakPolarHBondContact O-CD2 3.35Å; K443-Y447 PolarHBondContact O-N 2.91Å
444S83.2Confident78.7Confident76 Ų7681.6 Ų81.653%0.53142%0.417SS..Hα-helixtrans-57-37.5176.8-57.50000112.1E441 E448E441-S444 PolarHBondContact O-N 3.01Å; E441-S444 VanDerWaalsContact O-N 3.12Å; S444-E448 PolarHBondContact O-N 2.64Å
445A84.6Confident78.7Confident0 Ų081.5 Ų81.50%041%0.411CS..Hα-helixtrans-71.2-42.8-177.800000114.2Y202 E441 W442 K443 F454Y202-A445 HydrophobicContact CD2-CB 3.9Å; Y202-A445 HydrophobicContact CE2-CB 3.56Å; E441-A445 WeakPolarHBondContact O-CB 3.3Å; E441-A445 PolarHBondContact O-N 3.03Å; W442-A445 PolarHBondContact O-N 3.06Å; K443-A445 PolarHBondContact O-N 2.94Å; A445-F454 HydrophobicContact CB-CB 4.03Å; A445-F454 HydrophobicContact CB-CD1 3.52Å; A445-F454 HydrophobicContact CB-CD2 3.52Å; A445-F454 HydrophobicContact CB-CE1 3.73Å; A445-F454 HydrophobicContact CB-CE2 3.76Å; A445-F454 HydrophobicContact CB-CG 3.4Å; A445-F454 HydrophobicContact CB-CZ 3.85Å
446L80.1Confident78.9Confident4 Ų477.7 Ų77.72%0.02139%0.394CS..Hα-helixtrans-79.3-34.3-178.6-73.6175.5000112.9Y202 I215 K219 W400 W442 K443Y202-L446 HydrophobicContact CD1-CD2 3.53Å; Y202-L446 HydrophobicContact CE1-CD2 3.43Å; Y202-L446 VanDerWaalsContact CE1-CD2 3.43Å; Y202-L446 HydrophobicContact CE1-CG 4.34Å; Y202-L446 HydrophobicContact CG-CD2 4.16Å; I215-L446 HydrophobicContact CG2-CD2 3.89Å; K219-L446 HydrophobicContact CD-CB 4.47Å; K219-L446 WeakPolarHBondContact CE-O 3.09Å; K219-L446 PolarHBondContact NZ-O 2.73Å; W400-L446 HydrophobicContact CE3-CD1 3.88Å; W400-L446 HydrophobicContact CH2-CD1 4.21Å; W400-L446 HydrophobicContact CZ3-CD1 3.6Å; W442-L446 HydrophobicContact CE3-CD1 4.02Å; W442-L446 WeakPolarHBondContact O-CB 3.44Å; W442-L446 WeakPolarHBondContact O-CG 3.36Å; W442-L446 PolarHBondContact O-N 2.83Å; K443-L446 PolarHBondContact O-N 3.09Å
447Y74.9Confident79.5Confident68 Ų6872.3 Ų72.327%0.26738%0.378SS..Hα-helixtrans-89.3-10.8-171.5-70-70.4000114.4D223 R226 K443D223-Y447 WeakPolarHBondContact OD1-CE1 3.45Å; D223-Y447 PolarHBondContact OD1-OH 3.28Å; R226-Y447 PolarHBondContact NH1-OH 3.28Å; K443-Y447 HydrophobicContact CB-CD2 4.32Å; K443-Y447 WeakPolarHBondContact O-CB 3.11Å; K443-Y447 WeakPolarHBondContact O-CD2 3.35Å; K443-Y447 PolarHBondContact O-N 2.91Å
448E68.5Low80.3Confident59 Ų5971.7 Ų71.728%0.27637%0.372SS..  trans33.567178.5-64.7-168.2170.800113.3S444 D450 N451 P453S444-E448 PolarHBondContact O-N 2.64Å; E448-D450 PolarHBondContact O-N 2.74Å; E448-N451 PolarHBondContact O-N 2.81Å; E448-P453 WeakPolarHBondContact OE1-CA 3.39Å
449P58.1Low80.9Confident102 Ų10267.2 Ų67.266%0.66236%0.357SS*.THydrogen-bonded Turntrans-57.6-17.9-166.517.5-30000115.7
450D62.6Low81.8Confident118 Ų11859 Ų5963%0.63132%0.321SS*.THydrogen-bonded Turntrans-133.827.2-172.4-63.2-45.4000114.6E448 K452E448-D450 PolarHBondContact O-N 2.74Å; D450-K452 HydrophobicContact CB-CG 4.42Å; D450-K452 PolarHBondContact O-N 3.22Å
451N65.7Low82.6Confident152 Ų15260.8 Ų60.881%0.81334%0.337SS*.SBendtrans55.213.6-170.4-68.6-34.6000114.2E448E448-N451 PolarHBondContact O-N 2.81Å
452K75.7Confident83Confident152 Ų15259.3 Ų59.366%0.66133%0.331SS*.  trans-88.1116.6173.4-72.8178.7-176.7168.80107.2D450 F454D450-K452 HydrophobicContact CB-CG 4.42Å; D450-K452 PolarHBondContact O-N 3.22Å; K452-F454 PolarHBondContact O-N 2.86Å
453P80.5Confident83.4Confident52 Ų5262.7 Ų62.734%0.33835%0.348SS..  trans-62.7136.6179.526.9-33.6000109.1T200 K203 E448 C455T200-P453 HydrophobicContact CG2-CB 4.29Å; K203-P453 HydrophobicContact CD-CB 4.3Å; E448-P453 WeakPolarHBondContact OE1-CA 3.39Å; P453-C455 PolarHBondContact O-N 2.84Å; P453-C455 VanDerWaalsContact O-N 3.07Å
454F86.6Confident83.9Confident33 Ų3360.9 Ų60.915%0.14534%0.342CS..  trans-62.6114.9171.8-179.3-102.1000109.1T200 Y202 H404 I408 E441 A445 K452 I456T200-F454 WeakPolarHBondContact CA-O 3.38Å; Y202-F454 HydrophobicContact CD2-CD1 4.04Å; Y202-F454 HydrophobicContact CE2-CD1 4.15Å; Y202-F454 HydrophobicContact CE2-CE1 4.47Å; H404-F454 AromaticContact CE1-CE1 3.8Å; H404-F454 AromaticContact CE1-CZ 3.89Å; I408-F454 HydrophobicContact CD1-CE1 4.42Å; E441-F454 HydrophobicContact CG-CE2 3.94Å; E441-F454 HydrophobicContact CG-CZ 3.83Å; A445-F454 HydrophobicContact CB-CB 4.03Å; A445-F454 HydrophobicContact CB-CD1 3.52Å; A445-F454 HydrophobicContact CB-CD2 3.52Å; A445-F454 HydrophobicContact CB-CE1 3.73Å; A445-F454 HydrophobicContact CB-CE2 3.76Å; A445-F454 HydrophobicContact CB-CG 3.4Å; A445-F454 HydrophobicContact CB-CZ 3.85Å; K452-F454 PolarHBondContact O-N 2.86Å; F454-I456 HydrophobicContact CD1-CG1 4.38Å; F454-I456 HydrophobicContact CE1-CD1 3.52Å; F454-I456 HydrophobicContact CE1-CG1 3.6Å; F454-I456 HydrophobicContact CZ-CD1 3.85Å; F454-I456 HydrophobicContact CZ-CG1 3.83Å
455C87.9Confident84.4Confident68 Ų6860.5 Ų60.546%0.45934%0.339SS..  trans-123.9127.3-172.7-177.20000109I199 T200 P453I199-C455 WeakPolarHBondContact O-CA 3.42Å; T200-C455 HydrophobicContact CG2-CB 4.18Å; P453-C455 PolarHBondContact O-N 2.84Å; P453-C455 VanDerWaalsContact O-N 3.07Å
456I90.3Very high84.9Confident34 Ų3462.9 Ų62.917%0.17435%0.35CS..EExtended strand (participates in β ladder)trans-111.2127.9172.6-58.6175.9000107.8N198 I199 I408 F412 F454N198-I456 WeakPolarHBondContact CA-O 3.3Å; I199-I456 HydrophobicContact CG1-CB 3.98Å; I199-I456 PolarHBondContact N-O 2.78Å; I199-I456 PolarHBondContact O-N 3.36Å; I408-I456 HydrophobicContact CB-CD1 4.46Å; I408-I456 HydrophobicContact CD1-CD1 3.42Å; I408-I456 VanDerWaalsContact CD1-CD1 3.42Å; I408-I456 HydrophobicContact CG1-CD1 3.71Å; I408-I456 HydrophobicContact CG2-CD1 3.88Å; F412-I456 HydrophobicContact CE2-CG2 4.04Å; F412-I456 HydrophobicContact CZ-CB 4.33Å; F412-I456 HydrophobicContact CZ-CG2 3.77Å; F454-I456 HydrophobicContact CD1-CG1 4.38Å; F454-I456 HydrophobicContact CE1-CD1 3.52Å; F454-I456 HydrophobicContact CE1-CG1 3.6Å; F454-I456 HydrophobicContact CZ-CD1 3.85Å; F454-I456 HydrophobicContact CZ-CG1 3.83Å
457T92.5Very high85.5Confident87 Ų8763.4 Ų63.453%0.53435%0.353SS..EExtended strand (participates in β ladder)trans-102.5126.1171.5-59.60000108.7T196 V197 N198T196-T457 HydrophobicContact CG2-CG2 3.75Å; V197-T457 WeakPolarHBondContact O-CA 3.27Å; N198-T457 VanDerWaalsContact OD1-CB 3.29Å; N198-T457 WeakPolarHBondContact OD1-CB 3.28Å; N198-T457 VanDerWaalsContact OD1-CG2 3.25Å; N198-T457 WeakPolarHBondContact OD1-CG2 3.49Å; N198-T457 PolarHBondContact OD1-OG1 3.24Å
458H94.7Very high86.2Confident20 Ų2064 Ų649%0.09336%0.363CS..EExtended strand (participates in β ladder)trans-122.7126.8173.5-174.263.1000109.6T196 V197 F412 E428 F460T196-H458 WeakPolarHBondContact CA-O 3.42Å; V197-H458 PolarHBondContact N-O 2.85Å; V197-H458 PolarHBondContact O-N 3.45Å; F412-H458 HydrophobicContact CD1-CB 4.44Å; F412-H458 HydrophobicContact CE1-CB 3.48Å; F412-H458 VanDerWaalsContact CE1-CB 3.48Å; F412-H458 HydrophobicContact CE2-CB 4.49Å; F412-H458 HydrophobicContact CZ-CB 3.51Å; E428-H458 IonicContact OE1-CD2 3.7Å; E428-H458 IonicContact OE1-CE1 3.92Å; E428-H458 PolarHBondContact OE1-CE1 2.83Å; E428-H458 VanDerWaalsContact OE1-CE1 3.23Å; E428-H458 IonicContact OE1-NE2 2.69Å; E428-H458 PolarHBondContact OE1-NE2 3.32Å; H458-F460 AromaticContact CD2-CD1 3.53Å; H458-F460 AromaticContact NE2-CD1 3.62Å
459S96.2Very high86.9Confident52 Ų5264 Ų6436%0.36437%0.367SS..EExtended strand (participates in β ladder)trans-126.5132.1-179.1-62.10000110.1E194 L195 T196E194-S459 WeakPolarHBondContact OE1-CB 3.46Å; L195-S459 WeakPolarHBondContact O-CA 3.13Å; T196-S459 WeakPolarHBondContact CB-OG 3.32Å; T196-S459 WeakPolarHBondContact CG2-OG 3.15Å; T196-S459 PolarHBondContact OG1-OG 3.08Å
460F96.8Very high88.2Confident18 Ų1861.7 Ų61.78%0.07935%0.352CS..EExtended strand (participates in β ladder)trans-150.9159.1179.165.3-78.9000111.7E194 L195 L416 I420 E428 H458 L462E194-F460 WeakPolarHBondContact CA-O 3.24Å; L195-F460 HydrophobicContact CB-CE1 4.16Å; L195-F460 HydrophobicContact CB-CZ 4.17Å; L195-F460 HydrophobicContact CD2-CE1 4.04Å; L195-F460 HydrophobicContact CD2-CZ 3.68Å; L195-F460 HydrophobicContact CG-CE1 4.16Å; L195-F460 HydrophobicContact CG-CZ 4.23Å; L195-F460 PolarHBondContact N-O 2.79Å; L195-F460 PolarHBondContact O-N 2.84Å; L416-F460 HydrophobicContact CD2-CE1 3.71Å; L416-F460 HydrophobicContact CD2-CZ 3.89Å; I420-F460 HydrophobicContact CD1-CE2 4.3Å; I420-F460 HydrophobicContact CD1-CZ 3.88Å; I420-F460 HydrophobicContact CG2-CZ 4.48Å; E428-F460 HydrophobicContact CB-CE2 4.47Å; E428-F460 HydrophobicContact CG-CD1 3.99Å; E428-F460 HydrophobicContact CG-CD2 3.96Å; E428-F460 HydrophobicContact CG-CE1 4.11Å; E428-F460 HydrophobicContact CG-CE2 4.06Å; E428-F460 HydrophobicContact CG-CG 3.91Å; E428-F460 HydrophobicContact CG-CZ 4.12Å; H458-F460 AromaticContact CD2-CD1 3.53Å; H458-F460 AromaticContact NE2-CD1 3.62Å; F460-L462 HydrophobicContact CD2-CB 4.45Å; F460-L462 HydrophobicContact CE2-CB 4.17Å; F460-L462 HydrophobicContact CE2-CD1 4.32Å; F460-L462 HydrophobicContact CE2-CD2 4.47Å
461S96.7Very high89.4Confident88 Ų8856.3 Ų56.362%0.61532%0.324SS*.EExtended strand (participates in β ladder)trans-84.4136.3179.2-162.70000110.9S192 G193S192-S461 PolarHBondContact OG-OG 3.36Å; G193-S461 CarbonylContact O-C 3.48Å; G193-S461 WeakPolarHBondContact O-CA 3.33Å
462L95.5Very high90.2Very high10 Ų1053.1 Ų53.15%0.05231%0.313CS..EExtended strand (participates in β ladder)trans-147.9141-177.1-174.269.5000110.6S192 G193 L195 I420 S424 F460 E466 L467S192-L462 CarbonylContact C-O 3.59Å; S192-L462 WeakPolarHBondContact CA-O 3.44Å; G193-L462 PolarHBondContact N-O 3.19Å; G193-L462 PolarHBondContact O-N 2.99Å; G193-L462 VanDerWaalsContact O-O 3.13Å; L195-L462 HydrophobicContact CD2-CD2 4.31Å; I420-L462 HydrophobicContact CB-CD2 4.05Å; I420-L462 HydrophobicContact CG2-CD2 3.44Å; I420-L462 VanDerWaalsContact CG2-CD2 3.44Å; S424-L462 WeakPolarHBondContact OG-CD1 3.45Å; F460-L462 HydrophobicContact CD2-CB 4.45Å; F460-L462 HydrophobicContact CE2-CB 4.17Å; F460-L462 HydrophobicContact CE2-CD1 4.32Å; F460-L462 HydrophobicContact CE2-CD2 4.47Å; L462-E466 HydrophobicContact CD1-CB 3.44Å; L462-E466 VanDerWaalsContact CD1-CB 3.44Å; L462-E466 HydrophobicContact CD1-CG 4.03Å; L462-E466 HydrophobicContact CD2-CB 4.24Å; L462-E466 HydrophobicContact CG-CB 3.8Å; L462-L467 HydrophobicContact CD2-CD2 3.78Å; L462-L467 HydrophobicContact CD2-CG 4.32Å
463L96.1Very high90.6Very high72 Ų7252.8 Ų52.838%0.37731%0.314SS..EExtended strand (participates in β ladder)trans-70.1145171.2-62.7178.1000111.1F190 V191 S465 E466F190-L463 WeakPolarHBondContact O-CD2 3.41Å; V191-L463 WeakPolarHBondContact O-CA 3.17Å; L463-S465 PolarHBondContact O-N 2.81Å; L463-E466 HydrophobicContact CB-CG 4.01Å; L463-E466 WeakPolarHBondContact O-CB 3.3Å; L463-E466 PolarHBondContact O-N 2.78Å
464V94.4Very high90.9Very high14 Ų1453.2 Ų53.29%0.08531%0.313CS..G310 helixtrans-55-37.8174.9172.10000111.4F172 P187 V191 E466 L467 V471F172-V464 HydrophobicContact CE1-CG2 3.8Å; F172-V464 HydrophobicContact CZ-CG2 3.74Å; P187-V464 HydrophobicContact CB-CG2 4.02Å; P187-V464 HydrophobicContact CG-CG1 4.41Å; P187-V464 HydrophobicContact CG-CG2 3.62Å; V191-V464 HydrophobicContact CB-CG2 4.26Å; V191-V464 WeakPolarHBondContact O-CG2 3.34Å; V191-V464 PolarHBondContact O-N 2.9Å; V464-E466 PolarHBondContact O-N 2.82Å; V464-E466 VanDerWaalsContact O-N 3.16Å; V464-L467 PolarHBondContact O-N 2.9Å; V464-V471 HydrophobicContact CG1-CG2 3.47Å; V464-V471 VanDerWaalsContact CG1-CG2 3.47Å
465S94.2Very high91Very high67 Ų6754.8 Ų54.847%0.46933%0.327SS..G310 helixtrans-61.9-17.9176.960.70000115S189 L463S189-S465 WeakPolarHBondContact O-CB 3.33Å; S189-S465 PolarHBondContact O-N 2.99Å; L463-S465 PolarHBondContact O-N 2.81Å
466E94.8Very high91.3Very high50 Ų5051.8 Ų51.823%0.23431%0.306CS..G310 helixtrans-93.2-0-178-62.2-72.3140.500112.4I420 S421 S423 S424 L462 L463 V464I420-E466 CarbonylContact C-O 3.16Å; I420-E466 WeakPolarHBondContact CA-O 3.49Å; S421-E466 WeakPolarHBondContact CB-O 3.26Å; S421-E466 WeakPolarHBondContact CB-OE2 3.29Å; S421-E466 PolarHBondContact N-O 2.82Å; S421-E466 PolarHBondContact OG-OE2 3.09Å; S423-E466 PolarHBondContact OG-OE2 3.35Å; S424-E466 PolarHBondContact OG-OE2 3.22Å; L462-E466 HydrophobicContact CD1-CB 3.44Å; L462-E466 VanDerWaalsContact CD1-CB 3.44Å; L462-E466 HydrophobicContact CD1-CG 4.03Å; L462-E466 HydrophobicContact CD2-CB 4.24Å; L462-E466 HydrophobicContact CG-CB 3.8Å; L463-E466 HydrophobicContact CB-CG 4.01Å; L463-E466 WeakPolarHBondContact O-CB 3.3Å; L463-E466 PolarHBondContact O-N 2.78Å; V464-E466 PolarHBondContact O-N 2.82Å; V464-E466 VanDerWaalsContact O-N 3.16Å
467L93.5Very high91.4Very high15 Ų1551.6 Ų51.68%0.07931%0.306CS..BIsolated β-bridgetrans-75.9137.5171.8-65.3170.1000110.2L167 F172 M419 I420 L462 V464 V471L167-L467 HydrophobicContact CD1-CD2 4.15Å; F172-L467 HydrophobicContact CD1-CD1 3.86Å; F172-L467 HydrophobicContact CD2-CD1 4.21Å; F172-L467 HydrophobicContact CD2-CD2 4.31Å; F172-L467 HydrophobicContact CE1-CD1 3.95Å; F172-L467 HydrophobicContact CE2-CD1 4.27Å; F172-L467 HydrophobicContact CG-CD1 3.99Å; F172-L467 HydrophobicContact CZ-CD1 4.14Å; M419-L467 CarbonylContact O-C 3.51Å; M419-L467 WeakPolarHBondContact O-CA 3.41Å; I420-L467 HydrophobicContact CG2-CD2 4.37Å; L462-L467 HydrophobicContact CD2-CD2 3.78Å; L462-L467 HydrophobicContact CD2-CG 4.32Å; V464-L467 PolarHBondContact O-N 2.9Å; L467-V471 HydrophobicContact CD1-CG1 3.44Å; L467-V471 VanDerWaalsContact CD1-CG1 3.44Å
468V89Confident91.5Very high80 Ų8047.9 Ų47.949%0.48528%0.283SS..SBendtrans-68.4-40.3177.1169.10000111M419 I420M419-V468 PolarHBondContact O-N 3.07Å; I420-V468 WeakPolarHBondContact O-CG2 3.23Å
469V84Confident91.5Very high60 Ų6047 Ų4736%0.36428%0.278SS..SBendtrans-92.7120.9174.7-175.20000108.1V471 L474V469-V471 PolarHBondContact O-N 3.3Å; V469-L474 HydrophobicContact CB-CD1 4.5Å; V469-L474 HydrophobicContact CG1-CD1 3.73Å; V469-L474 HydrophobicContact CG1-CD2 4.32Å; V469-L474 HydrophobicContact CG1-CG 4.04Å
470P84.9Confident91.5Very high54 Ų5444.5 Ų44.535%0.35126%0.261SS..  trans-62.3121.2175.6-2032000110.4S472 E473P470-S472 WeakPolarHBondContact CB-OG 3.07Å; P470-S472 PolarHBondContact O-N 3.44Å; P470-S472 VanDerWaalsContact O-N 3.14Å; P470-E473 HydrophobicContact CB-CG 4.17Å; P470-E473 PolarHBondContact O-N 2.59Å
471V86.9Confident91.4Very high5 Ų543.7 Ų43.73%0.0326%0.257CS..G310 helixtrans-63.7-18.6175.9-64.70000112.9Y165 F172 P186 P187 V464 L467 V469 E473 L474Y165-V471 HydrophobicContact CD1-CB 4.31Å; Y165-V471 HydrophobicContact CD1-CG1 4.4Å; Y165-V471 HydrophobicContact CD2-CB 4.35Å; Y165-V471 HydrophobicContact CD2-CG1 4.05Å; Y165-V471 HydrophobicContact CE1-CB 3.98Å; Y165-V471 HydrophobicContact CE2-CB 3.99Å; Y165-V471 HydrophobicContact CE2-CG1 4.15Å; Y165-V471 HydrophobicContact CG-CB 4.49Å; Y165-V471 HydrophobicContact CG-CG1 4.16Å; F172-V471 HydrophobicContact CD1-CG1 4.49Å; P186-V471 HydrophobicContact CB-CG2 4.1Å; P187-V471 HydrophobicContact CG-CG2 4.26Å; V464-V471 HydrophobicContact CG1-CG2 3.47Å; V464-V471 VanDerWaalsContact CG1-CG2 3.47Å; L467-V471 HydrophobicContact CD1-CG1 3.44Å; L467-V471 VanDerWaalsContact CD1-CG1 3.44Å; V469-V471 PolarHBondContact O-N 3.3Å; V471-E473 PolarHBondContact O-N 3.23Å; V471-L474 PolarHBondContact O-N 2.9Å
472S83.4Confident91.3Very high85 Ų8540.5 Ų40.559%0.59423%0.232SC*.G310 helixtrans-64.3-22.617253.10000113.6P470P470-S472 WeakPolarHBondContact CB-OG 3.07Å; P470-S472 PolarHBondContact O-N 3.44Å; P470-S472 VanDerWaalsContact O-N 3.14Å
473E83.9Confident91.2Very high145 Ų14540 Ų4068%0.67823%0.23SC*.G310 helixtrans-92.7-3.8177.6-62.9177.7-17500112.2P470 V471P470-E473 HydrophobicContact CB-CG 4.17Å; P470-E473 PolarHBondContact O-N 2.59Å; V471-E473 PolarHBondContact O-N 3.23Å
474L86.6Confident91.1Very high60 Ų6039.1 Ų39.131%0.31423%0.225SC..SBendtrans-114.1133.7-176.1-63.5177.8000111.1Y165 L167 V469 V471Y165-L474 HydrophobicContact CD1-CB 4.17Å; Y165-L474 HydrophobicContact CE1-CB 4.43Å; L167-L474 HydrophobicContact CD2-CD1 4.11Å; V469-L474 HydrophobicContact CB-CD1 4.5Å; V469-L474 HydrophobicContact CG1-CD1 3.73Å; V469-L474 HydrophobicContact CG1-CD2 4.32Å; V469-L474 HydrophobicContact CG1-CG 4.04Å; V471-L474 PolarHBondContact O-N 2.9Å
475P88.2Confident91.1Very high67 Ų6738.7 Ų38.744%0.43522%0.223SC..  trans-66.3131.4165.827.4-31.1000109.5Y508P475-Y508 VanDerWaalsContact CB-OH 3.23Å; P475-Y508 WeakPolarHBondContact CB-OH 3.33Å
476P93.8Very high90.8Very high4 Ų443.6 Ų43.63%0.02624%0.236CC..  trans-66.1135.3172.925.7-32.9000110.8Y165 L184 L478 W479 Y508Y165-P476 HydrophobicContact CD1-CB 4.16Å; Y165-P476 HydrophobicContact CE1-CB 3.67Å; Y165-P476 HydrophobicContact CE1-CG 4.39Å; L184-P476 HydrophobicContact CB-CG 4.17Å; L184-P476 HydrophobicContact CD2-CG 4.31Å; P476-L478 PolarHBondContact O-N 2.82Å; P476-W479 HydrophobicContact CB-CB 4.44Å; P476-W479 HydrophobicContact CG-CB 4.1Å; P476-Y508 WeakPolarHBondContact CD-OH 3.38Å; P476-Y508 WeakPolarHBondContact O-CE1 3.27Å; P476-Y508 PolarHBondContact O-OH 3.18Å
477D94.1Very high90.3Very high30 Ų3045.7 Ų45.716%0.1625%0.249CC..SBendtrans-63.9-29.4171.8-69.3-113.9000112.1R82 M164 K166 L499R82-D477 PolarHBondContact NH2-O 2.92Å; R82-D477 VanDerWaalsContact NH2-O 3.09Å; M164-D477 HydrophobicContact CE-CB 4.07Å; M164-D477 PolarHBondContact O-N 2.83Å; K166-D477 WeakPolarHBondContact CB-OD1 3.43Å; K166-D477 WeakPolarHBondContact CB-OD2 3.28Å; K166-D477 PolarHBondContact N-OD2 3.35Å; D477-L499 PolarHBondContact O-N 2.88Å
478L94.7Very high89.9Confident10 Ų1048.7 Ų48.75%0.05227%0.269CS..EExtended strand (participates in β ladder)trans-147.3132.9177-17266.1000109.3F83 C163 M164 P476 I480 I496 Y497 E498F83-L478 HydrophobicContact CD2-CD1 4.45Å; F83-L478 HydrophobicContact CE2-CD1 3.51Å; F83-L478 HydrophobicContact CE2-CD2 4.23Å; F83-L478 HydrophobicContact CE2-CG 4.5Å; F83-L478 HydrophobicContact CZ-CD1 3.95Å; F83-L478 HydrophobicContact CZ-CD2 3.79Å; C163-L478 CarbonylContact C-O 3.57Å; C163-L478 WeakPolarHBondContact CA-O 3.49Å; M164-L478 HydrophobicContact CB-CB 3.91Å; M164-L478 HydrophobicContact CE-CB 3.85Å; M164-L478 HydrophobicContact CE-CD2 4.36Å; M164-L478 PolarHBondContact N-O 3.36Å; M164-L478 PolarHBondContact O-N 2.88Å; P476-L478 PolarHBondContact O-N 2.82Å; L478-I480 HydrophobicContact CD2-CD1 3.98Å; L478-I480 HydrophobicContact CD2-CG1 4.3Å; L478-I480 HydrophobicContact CG-CD1 4.29Å; L478-I480 HydrophobicContact CG-CG1 4.05Å; L478-I496 HydrophobicContact CD1-CG2 3.45Å; L478-I496 VanDerWaalsContact CD1-CG2 3.45Å; L478-Y497 CarbonylContact C-O 3.55Å; L478-Y497 WeakPolarHBondContact CA-O 3.35Å; L478-E498 HydrophobicContact CD1-CB 4.31Å
479W94.9Very high89.8Confident0 Ų045.9 Ų45.90%025%0.252CS..EExtended strand (participates in β ladder)trans-133127.8172.6-175.198000108.8F161 E162 Y176 V183 L184 S185 P476 M481 I496 Y497F161-W479 AromaticContact CD1-CH2 3.97Å; F161-W479 HydrophobicContact CD1-CH2 3.97Å; F161-W479 AromaticContact CD1-CZ2 3.5Å; F161-W479 HydrophobicContact CD1-CZ2 3.5Å; F161-W479 VanDerWaalsContact CD1-CZ2 3.5Å; F161-W479 HydrophobicContact CE1-CH2 4.08Å; F161-W479 AromaticContact CE1-CZ2 3.87Å; F161-W479 HydrophobicContact CE1-CZ2 3.87Å; E162-W479 CarbonylContact O-C 3.49Å; E162-W479 WeakPolarHBondContact O-CA 3.36Å; Y176-W479 PolarHBondContact OH-NE1 2.96Å; Y176-W479 VanDerWaalsContact OH-NE1 3.13Å; V183-W479 HydrophobicContact CG1-CZ3 4.44Å; L184-W479 HydrophobicContact CD2-CB 3.79Å; L184-W479 HydrophobicContact CD2-CD2 4.5Å; L184-W479 HydrophobicContact CD2-CG 4.14Å; S185-W479 PolarHBondContact O-NE1 2.88Å; P476-W479 HydrophobicContact CB-CB 4.44Å; P476-W479 HydrophobicContact CG-CB 4.1Å; W479-M481 HydrophobicContact CE3-CB 4.39Å; W479-M481 HydrophobicContact CH2-CB 3.62Å; W479-M481 HydrophobicContact CH2-CG 4.26Å; W479-M481 HydrophobicContact CH2-SD 4.16Å; W479-M481 HydrophobicContact CZ3-CB 3.53Å; W479-I496 CarbonylContact O-C 3.55Å; W479-I496 WeakPolarHBondContact O-CA 3.42Å; W479-Y497 AromaticContact CE3-CD2 3.65Å; W479-Y497 HydrophobicContact CE3-CD2 3.65Å; W479-Y497 HydrophobicContact CE3-CE2 4.28Å; W479-Y497 HydrophobicContact CE3-CG 4.44Å; W479-Y497 AromaticContact CZ3-CD2 3.89Å; W479-Y497 HydrophobicContact CZ3-CD2 3.89Å; W479-Y497 HydrophobicContact CZ3-CE2 4.05Å; W479-Y497 PolarHBondContact N-O 3.27Å; W479-Y497 PolarHBondContact O-N 2.75Å
480I94.6Very high90Very high1 Ų145.5 Ų45.51%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-125.2123.2-174.7-52177.4000108F4 F161 E162 L478 R482 I495 I496F4-I480 HydrophobicContact CE2-CD1 4.35Å; F4-I480 HydrophobicContact CZ-CD1 4.37Å; F161-I480 CarbonylContact C-O 3.53Å; F161-I480 VanDerWaalsContact CA-O 3.26Å; F161-I480 WeakPolarHBondContact CA-O 3.3Å; E162-I480 HydrophobicContact CB-CB 4.24Å; E162-I480 PolarHBondContact N-O 2.77Å; E162-I480 PolarHBondContact O-N 3.16Å; L478-I480 HydrophobicContact CD2-CD1 3.98Å; L478-I480 HydrophobicContact CD2-CG1 4.3Å; L478-I480 HydrophobicContact CG-CD1 4.29Å; L478-I480 HydrophobicContact CG-CG1 4.05Å; I480-R482 HydrophobicContact CG2-CG 3.93Å; I480-I495 CarbonylContact C-O 3.57Å; I480-I495 WeakPolarHBondContact CA-O 3.48Å; I480-I496 HydrophobicContact CG1-CG1 4.25Å; I480-I496 HydrophobicContact CG1-CG2 4.23Å; I480-I496 HydrophobicContact CG2-CG1 4.1Å
481M95Very high90.3Very high0 Ų043 Ų430%024%0.235CC..EExtended strand (participates in β ladder)trans-101.2123.9165.8-179-176.9-170.100109V143 L146 C159 F161 W479 I483 R494 I495V143-M481 HydrophobicContact CG1-CE 3.73Å; L146-M481 HydrophobicContact CB-SD 4.48Å; C159-M481 WeakPolarHBondContact SG-CE 3.48Å; F161-M481 HydrophobicContact CD1-CB 4.22Å; F161-M481 HydrophobicContact CD1-CG 4.15Å; F161-M481 HydrophobicContact CE1-CB 4.32Å; F161-M481 HydrophobicContact CE1-CE 4.31Å; F161-M481 HydrophobicContact CE1-CG 3.82Å; F161-M481 HydrophobicContact CE1-SD 4.33Å; W479-M481 HydrophobicContact CE3-CB 4.39Å; W479-M481 HydrophobicContact CH2-CB 3.62Å; W479-M481 HydrophobicContact CH2-CG 4.26Å; W479-M481 HydrophobicContact CH2-SD 4.16Å; W479-M481 HydrophobicContact CZ3-CB 3.53Å; M481-I483 HydrophobicContact CE-CD1 3.75Å; M481-I483 HydrophobicContact CE-CG1 4.05Å; M481-I483 HydrophobicContact CG-CD1 4.29Å; M481-I483 HydrophobicContact CG-CG1 3.94Å; M481-I483 HydrophobicContact SD-CD1 4.05Å; M481-I483 HydrophobicContact SD-CG1 4.35Å; M481-R494 CarbonylContact O-C 3.57Å; M481-R494 WeakPolarHBondContact O-CA 3.24Å; M481-I495 HydrophobicContact CB-CB 4.29Å; M481-I495 PolarHBondContact N-O 2.75Å; M481-I495 PolarHBondContact O-N 3.07Å; M481-I495 HydrophobicContact SD-CD1 4.18Å
482R95.1Very high90.7Very high22 Ų2244.4 Ų44.48%0.08325%0.245CC..EExtended strand (participates in β ladder)trans-108.7122.5177.3-50.9-164165.480.4-3.3108.8E8 C159 T160 E162 I480 I493 R494E8-R482 IonicContact OE1-CZ 3.22Å; E8-R482 IonicContact OE1-NE 2.75Å; E8-R482 IonicContact OE1-NH2 3.58Å; E8-R482 PolarHBondContact OE1-NH2 2.9Å; E8-R482 IonicContact OE2-CZ 3.14Å; E8-R482 IonicContact OE2-NE 3.58Å; E8-R482 PolarHBondContact OE2-NE 2.85Å; E8-R482 IonicContact OE2-NH2 2.73Å; E8-R482 PolarHBondContact OE2-NH2 2.82Å; C159-R482 CarbonylContact C-O 3.51Å; C159-R482 VanDerWaalsContact CA-O 3.3Å; C159-R482 WeakPolarHBondContact CA-O 3.33Å; T160-R482 PolarHBondContact N-O 3.32Å; T160-R482 PolarHBondContact O-N 2.73Å; T160-R482 WeakPolarHBondContact OG1-CB 3.49Å; E162-R482 IonicContact OE1-NH2 3.79Å; E162-R482 IonicContact OE2-CZ 3.41Å; E162-R482 IonicContact OE2-NH1 3.2Å; E162-R482 PolarHBondContact OE2-NH1 2.58Å; E162-R482 IonicContact OE2-NH2 3.74Å; E162-R482 PolarHBondContact OE2-NH2 3.09Å; I480-R482 HydrophobicContact CG2-CG 3.93Å; R482-I493 WeakPolarHBondContact CA-O 3.44Å; R482-R494 VanDerWaalsContact CG-CD 3.48Å
483I94.1Very high91.2Very high0 Ų040.3 Ų40.30%022%0.216CC..EExtended strand (participates in β ladder)trans-123117.2-179.3-40.2174.6000107.3M151 F157 V158 M481 S492 I493 I495M151-I483 HydrophobicContact CE-CB 3.8Å; M151-I483 HydrophobicContact CE-CG2 3.46Å; M151-I483 VanDerWaalsContact CE-CG2 3.46Å; M151-I483 WeakPolarHBondContact CE-O 3.41Å; M151-I483 HydrophobicContact CG-CG2 3.64Å; M151-I483 HydrophobicContact SD-CG2 4.41Å; F157-I483 HydrophobicContact CB-CG2 4.04Å; F157-I483 HydrophobicContact CD2-CG2 3.45Å; F157-I483 VanDerWaalsContact CD2-CG2 3.45Å; F157-I483 HydrophobicContact CE2-CG2 4.13Å; F157-I483 HydrophobicContact CG-CG2 3.92Å; V158-I483 CarbonylContact O-C 3.43Å; V158-I483 WeakPolarHBondContact O-CA 3.45Å; M481-I483 HydrophobicContact CE-CD1 3.75Å; M481-I483 HydrophobicContact CE-CG1 4.05Å; M481-I483 HydrophobicContact CG-CD1 4.29Å; M481-I483 HydrophobicContact CG-CG1 3.94Å; M481-I483 HydrophobicContact SD-CD1 4.05Å; M481-I483 HydrophobicContact SD-CG1 4.35Å; I483-S492 CarbonylContact O-C 3.55Å; I483-I493 HydrophobicContact CB-CB 4.3Å; I483-I493 PolarHBondContact N-O 2.86Å; I483-I493 PolarHBondContact O-N 2.8Å; I483-I495 HydrophobicContact CD1-CD1 4.16Å
484D94Very high91.7Very high52 Ų5234.4 Ų34.428%0.27819%0.188SC..EExtended strand (participates in β ladder)trans-123.1125.5-177.1-63.5-65.6000109.5F157 V158 T491 S492 R494F157-D484 CarbonylContact C-O 3.13Å; F157-D484 WeakPolarHBondContact CA-O 3.43Å; V158-D484 PolarHBondContact N-O 2.87Å; V158-D484 PolarHBondContact O-N 2.91Å; D484-T491 WeakPolarHBondContact CA-O 3.15Å; D484-S492 WeakPolarHBondContact OD1-CA 3.41Å; D484-S492 WeakPolarHBondContact OD1-CB 3.4Å; D484-S492 PolarHBondContact OD1-OG 3.39Å; D484-R494 IonicContact OD1-CZ 2.73Å; D484-R494 IonicContact OD1-NH1 3.43Å; D484-R494 PolarHBondContact OD1-NH1 2.84Å; D484-R494 IonicContact OD1-NH2 3.28Å; D484-R494 PolarHBondContact OD1-NH2 3.3Å; D484-R494 VanDerWaalsContact OD1-NH2 3.15Å; D484-R494 IonicContact OD2-CZ 3.84Å; D484-R494 IonicContact OD2-NH1 3.84Å; D484-R494 PolarHBondContact OD2-NH1 3.22Å; D484-R494 IonicContact OD2-NH2 2.94Å; D484-R494 PolarHBondContact OD2-NH2 2.78Å
485A92.6Very high92.1Very high6 Ų631.7 Ų31.75%0.0517%0.174CC..EExtended strand (participates in β ladder)trans-124.7145.9178.800000110M151 F154 F157 P490 T491M151-A485 HydrophobicContact CE-CB 3.98Å; M151-A485 HydrophobicContact SD-CB 4.2Å; F154-A485 HydrophobicContact CB-CB 3.74Å; F154-A485 HydrophobicContact CD1-CB 3.52Å; F154-A485 HydrophobicContact CE1-CB 4.45Å; F154-A485 HydrophobicContact CG-CB 3.78Å; F157-A485 HydrophobicContact CB-CB 3.98Å; A485-P490 CarbonylContact O-C 3.46Å; A485-P490 WeakPolarHBondContact O-CA 3.29Å; A485-T491 PolarHBondContact N-O 3.32Å; A485-T491 PolarHBondContact O-N 3.07Å
486K89.3Confident92.3Very high169 Ų16928.5 Ų28.574%0.73515%0.153SC*.  trans-101.1-35.8177.6-70.3-176.6-180176.60113.2V489K486-V489 CarbonylContact O-C 3.47Å
487N83.9Confident92.3Very high94 Ų9428.5 Ų28.550%0.50315%0.152SC..SBendtrans-120.2137.5-172-63.1-39000110.9F154F154-N487 WeakPolarHBondContact CD1-O 3.24Å
488P84.1Confident92.3Very high78 Ų7827.1 Ų27.151%0.50615%0.145SC..SBendcis-78.1-22.26.229.7-36.4000114.2S153 F154S153-P488 VanDerWaalsContact O-CD 3.24Å; S153-P488 WeakPolarHBondContact O-CD 3.27Å; F154-P488 HydrophobicContact CE1-CG 4.36Å
489V87Confident92.2Very high21 Ų2127.9 Ų27.913%0.12715%0.149CC..SBendtrans-132.6143.6175.9-580000110.1G52 F154 K486 T491 I516G52-V489 VanDerWaalsContact O-CG1 3.3Å; G52-V489 WeakPolarHBondContact O-CG1 3.43Å; F154-V489 HydrophobicContact CE1-CG2 3.95Å; F154-V489 WeakPolarHBondContact CE1-O 3.42Å; F154-V489 HydrophobicContact CZ-CG2 4.04Å; K486-V489 CarbonylContact O-C 3.47Å; V489-T491 PolarHBondContact O-N 3.02Å; V489-T491 VanDerWaalsContact O-N 3.08Å; V489-T491 PolarHBondContact O-OG1 2.92Å; V489-I516 HydrophobicContact CG2-CG2 3.77Å
490P89.7Confident91.9Very high53 Ų5328.1 Ų28.134%0.34415%0.15SC..  trans-58.7122.1176.6-22.831.1000111A485 D517A485-P490 CarbonylContact O-C 3.46Å; A485-P490 WeakPolarHBondContact O-CA 3.29Å; P490-D517 HydrophobicContact CB-CB 4.05Å; P490-D517 VanDerWaalsContact CB-OD2 3.3Å; P490-D517 WeakPolarHBondContact CB-OD2 3.43Å; P490-D517 HydrophobicContact CG-CB 4.23Å; P490-D517 PolarHBondContact O-N 3.45Å
491T91.1Very high91.4Very high1 Ų134.8 Ų34.81%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-138.2128.5-176.1-64.40000109.6M151 F154 D484 A485 V489 I493 M515 I516M151-T491 HydrophobicContact CE-CG2 4.26Å; F154-T491 WeakPolarHBondContact CE1-OG1 3.46Å; F154-T491 HydrophobicContact CE2-CG2 4.37Å; F154-T491 HydrophobicContact CZ-CG2 4.18Å; F154-T491 WeakPolarHBondContact CZ-OG1 3.23Å; D484-T491 WeakPolarHBondContact CA-O 3.15Å; A485-T491 PolarHBondContact N-O 3.32Å; A485-T491 PolarHBondContact O-N 3.07Å; V489-T491 PolarHBondContact O-N 3.02Å; V489-T491 VanDerWaalsContact O-N 3.08Å; V489-T491 PolarHBondContact O-OG1 2.92Å; T491-I493 HydrophobicContact CG2-CD1 4.38Å; T491-I493 HydrophobicContact CG2-CG1 4.07Å; T491-M515 CarbonylContact C-O 3.59Å; T491-M515 WeakPolarHBondContact CA-O 2.9Å; T491-I516 HydrophobicContact CG2-CG1 4.03Å
492S94.4Very high90.6Very high34 Ų3437 Ų3724%0.23819%0.189CC..EExtended strand (participates in β ladder)trans-121121.2177.3-68.60000109.6I483 D484 M515I483-S492 CarbonylContact O-C 3.55Å; D484-S492 WeakPolarHBondContact OD1-CA 3.41Å; D484-S492 WeakPolarHBondContact OD1-CB 3.4Å; D484-S492 PolarHBondContact OD1-OG 3.39Å; S492-M515 PolarHBondContact N-O 3.44Å; S492-M515 PolarHBondContact O-N 2.89Å
493I94.2Very high89.8Confident0 Ų042.9 Ų42.90%022%0.222CC..EExtended strand (participates in β ladder)trans-113.6137.6177.2-57.3179.2000108.6S150 M151 R482 I483 T491 I495 K512 L513 R514S150-I493 VanDerWaalsContact O-CD1 3.3Å; S150-I493 WeakPolarHBondContact O-CD1 3.4Å; M151-I493 HydrophobicContact CE-CB 4.35Å; M151-I493 HydrophobicContact CE-CD1 3.72Å; M151-I493 HydrophobicContact CE-CG1 3.87Å; M151-I493 HydrophobicContact SD-CD1 3.82Å; R482-I493 WeakPolarHBondContact CA-O 3.44Å; I483-I493 HydrophobicContact CB-CB 4.3Å; I483-I493 PolarHBondContact N-O 2.86Å; I483-I493 PolarHBondContact O-N 2.8Å; T491-I493 HydrophobicContact CG2-CD1 4.38Å; T491-I493 HydrophobicContact CG2-CG1 4.07Å; I493-I495 HydrophobicContact CG2-CG1 3.97Å; I493-K512 HydrophobicContact CG2-CG 4.34Å; I493-L513 CarbonylContact C-O 3.6Å; I493-L513 VanDerWaalsContact CA-O 3.28Å; I493-L513 WeakPolarHBondContact CA-O 3.36Å; I493-R514 HydrophobicContact CD1-CG 4.43Å; I493-R514 HydrophobicContact CG1-CB 4.35Å; I493-R514 HydrophobicContact CG1-CG 4.01Å
494R94.6Very high89.1Confident20 Ų2046.2 Ų46.28%0.07526%0.256CS..EExtended strand (participates in β ladder)trans-122.3118.5169.5-51.9-68.3175.7-100.65.5107.3E8 F9 M481 R482 D484 I496 K512 L513E8-R494 WeakPolarHBondContact OE2-CD 3.24Å; E8-R494 IonicContact OE2-NE 3.15Å; E8-R494 PolarHBondContact OE2-NE 3.14Å; F9-R494 HydrophobicContact CE1-CG 4.09Å; F9-R494 HydrophobicContact CE2-CG 4.15Å; F9-R494 HydrophobicContact CZ-CB 4.43Å; F9-R494 HydrophobicContact CZ-CG 3.55Å; M481-R494 CarbonylContact O-C 3.57Å; M481-R494 WeakPolarHBondContact O-CA 3.24Å; R482-R494 VanDerWaalsContact CG-CD 3.48Å; D484-R494 IonicContact OD1-CZ 2.73Å; D484-R494 IonicContact OD1-NH1 3.43Å; D484-R494 PolarHBondContact OD1-NH1 2.84Å; D484-R494 IonicContact OD1-NH2 3.28Å; D484-R494 PolarHBondContact OD1-NH2 3.3Å; D484-R494 VanDerWaalsContact OD1-NH2 3.15Å; D484-R494 IonicContact OD2-CZ 3.84Å; D484-R494 IonicContact OD2-NH1 3.84Å; D484-R494 PolarHBondContact OD2-NH1 3.22Å; D484-R494 IonicContact OD2-NH2 2.94Å; D484-R494 PolarHBondContact OD2-NH2 2.78Å; R494-I496 HydrophobicContact CB-CD1 4.41Å; R494-I496 HydrophobicContact CB-CG1 4.35Å; R494-K512 WeakPolarHBondContact O-CA 3.26Å; R494-L513 HydrophobicContact CB-CB 4.23Å; R494-L513 PolarHBondContact N-O 3.12Å; R494-L513 PolarHBondContact O-N 3.3Å
495I93.8Very high88.6Confident4 Ų449.9 Ų49.92%0.02128%0.275CS..EExtended strand (participates in β ladder)trans-106.5117.1172.2-51.4178.3000106.5I480 M481 I483 I493 Y497I480-I495 CarbonylContact C-O 3.57Å; I480-I495 WeakPolarHBondContact CA-O 3.48Å; M481-I495 HydrophobicContact CB-CB 4.29Å; M481-I495 PolarHBondContact N-O 2.75Å; M481-I495 PolarHBondContact O-N 3.07Å; M481-I495 HydrophobicContact SD-CD1 4.18Å; I483-I495 HydrophobicContact CD1-CD1 4.16Å; I493-I495 HydrophobicContact CG2-CG1 3.97Å; I495-Y497 HydrophobicContact CG2-CD2 4.21Å; I495-Y497 HydrophobicContact CG2-CE2 3.61Å
496I93.9Very high88.3Confident0 Ų054.7 Ų54.70%030%0.297CS..EExtended strand (participates in β ladder)trans-120.9118.1-168.8-56.9160.2000108.3F4 L478 W479 I480 R494 C510 H511 L513F4-I496 HydrophobicContact CE1-CD1 3.27Å; F4-I496 HydrophobicContact CZ-CD1 3.34Å; F4-I496 HydrophobicContact CZ-CG1 4.26Å; L478-I496 HydrophobicContact CD1-CG2 3.45Å; L478-I496 VanDerWaalsContact CD1-CG2 3.45Å; W479-I496 CarbonylContact O-C 3.55Å; W479-I496 WeakPolarHBondContact O-CA 3.42Å; I480-I496 HydrophobicContact CG1-CG1 4.25Å; I480-I496 HydrophobicContact CG1-CG2 4.23Å; I480-I496 HydrophobicContact CG2-CG1 4.1Å; R494-I496 HydrophobicContact CB-CD1 4.41Å; R494-I496 HydrophobicContact CB-CG1 4.35Å; I496-C510 CarbonylContact O-C 3.43Å; I496-C510 VanDerWaalsContact O-CA 3.26Å; I496-C510 WeakPolarHBondContact O-CA 3.1Å; I496-H511 HydrophobicContact CB-CB 4.23Å; I496-H511 PolarHBondContact N-O 2.77Å; I496-H511 PolarHBondContact O-N 2.88Å; I496-L513 HydrophobicContact CD1-CD1 3.56Å; I496-L513 HydrophobicContact CD1-CD2 4.47Å
497Y94.2Very high88.4Confident4 Ų449.5 Ų49.52%0.01628%0.275CS..EExtended strand (participates in β ladder)trans-98.2119.7170-71.5-105.4000108.8V137 V139 L146 V183 L184 L478 W479 I495 A509 C510V137-Y497 HydrophobicContact CB-CE1 4.38Å; V137-Y497 HydrophobicContact CG1-CD1 4.35Å; V137-Y497 HydrophobicContact CG1-CE1 3.44Å; V137-Y497 VanDerWaalsContact CG1-CE1 3.44Å; V139-Y497 HydrophobicContact CG1-CE1 4.34Å; L146-Y497 HydrophobicContact CD1-CE2 4.48Å; V183-Y497 HydrophobicContact CG1-CD1 4.12Å; V183-Y497 HydrophobicContact CG1-CD2 4.06Å; V183-Y497 HydrophobicContact CG1-CE1 3.66Å; V183-Y497 HydrophobicContact CG1-CE2 3.61Å; V183-Y497 HydrophobicContact CG1-CG 4.31Å; V183-Y497 VanDerWaalsContact CG1-CZ 3.42Å; L184-Y497 VanDerWaalsContact CD2-CB 3.46Å; L184-Y497 HydrophobicContact CD2-CD1 4.03Å; L184-Y497 HydrophobicContact CD2-CG 3.78Å; L478-Y497 CarbonylContact C-O 3.55Å; L478-Y497 WeakPolarHBondContact CA-O 3.35Å; W479-Y497 AromaticContact CE3-CD2 3.65Å; W479-Y497 HydrophobicContact CE3-CD2 3.65Å; W479-Y497 HydrophobicContact CE3-CE2 4.28Å; W479-Y497 HydrophobicContact CE3-CG 4.44Å; W479-Y497 AromaticContact CZ3-CD2 3.89Å; W479-Y497 HydrophobicContact CZ3-CD2 3.89Å; W479-Y497 HydrophobicContact CZ3-CE2 4.05Å; W479-Y497 PolarHBondContact N-O 3.27Å; W479-Y497 PolarHBondContact O-N 2.75Å; I495-Y497 HydrophobicContact CG2-CD2 4.21Å; I495-Y497 HydrophobicContact CG2-CE2 3.61Å; Y497-A509 CarbonylContact C-O 3.6Å; Y497-A509 WeakPolarHBondContact CA-O 3.46Å; Y497-C510 HydrophobicContact CD1-CB 4.39Å; Y497-C510 HydrophobicContact CE1-CB 4.2Å
498E93.7Very high88.7Confident1 Ų146.6 Ų46.61%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-111.9127.4178-176.4-175.1-17100109.7S81 R82 F83 L478 V500 Y508 A509 H511S81-E498 WeakPolarHBondContact CA-OE2 3.32Å; S81-E498 VanDerWaalsContact CB-OE2 3.26Å; S81-E498 WeakPolarHBondContact CB-OE2 3.3Å; S81-E498 PolarHBondContact OG-OE2 3.39Å; R82-E498 WeakPolarHBondContact CB-OE1 3.34Å; R82-E498 WeakPolarHBondContact CG-OE1 3.48Å; R82-E498 IonicContact CZ-OE1 3.47Å; R82-E498 PolarHBondContact N-OE1 3.17Å; R82-E498 PolarHBondContact N-OE2 2.74Å; R82-E498 IonicContact NE-OE1 3.5Å; R82-E498 PolarHBondContact NE-OE1 3.26Å; R82-E498 IonicContact NH2-OE1 2.86Å; F83-E498 HydrophobicContact CD2-CG 4.33Å; F83-E498 WeakPolarHBondContact CD2-OE2 3.35Å; F83-E498 HydrophobicContact CE2-CG 4.22Å; L478-E498 HydrophobicContact CD1-CB 4.31Å; E498-V500 HydrophobicContact CB-CG1 4.36Å; E498-V500 HydrophobicContact CG-CG1 3.84Å; E498-V500 PolarHBondContact O-N 3.32Å; E498-Y508 WeakPolarHBondContact O-CA 3.34Å; E498-A509 PolarHBondContact N-O 3.14Å; E498-A509 PolarHBondContact O-N 2.83Å; E498-H511 IonicContact OE2-NE2 3.78Å; E498-H511 PolarHBondContact OE2-NE2 3.28Å
499L91.9Very high89Confident26 Ų2642.9 Ų42.914%0.13623%0.233CC..EExtended strand (participates in β ladder)trans-74.5116169.7-167.866.8000109.3D477 E506 Y508D477-L499 PolarHBondContact O-N 2.88Å; L499-E506 HydrophobicContact CD1-CB 4.02Å; L499-E506 HydrophobicContact CG-CB 4.36Å; L499-Y508 HydrophobicContact CB-CD1 4.37Å; L499-Y508 HydrophobicContact CB-CE1 3.91Å; L499-Y508 HydrophobicContact CD1-CD1 4.35Å; L499-Y508 HydrophobicContact CD1-CD2 4.13Å; L499-Y508 HydrophobicContact CD1-CE1 4.03Å; L499-Y508 HydrophobicContact CD1-CE2 3.79Å; L499-Y508 HydrophobicContact CD1-CG 4.41Å
500V89.1Confident89.2Confident5 Ų542.5 Ų42.53%0.0323%0.231CC..EExtended strand (participates in β ladder)trans-120.4151.4-178.2-63.30000110.7P79 E498 Q507 A509P79-V500 HydrophobicContact CB-CB 4.04Å; P79-V500 HydrophobicContact CB-CG2 3.54Å; P79-V500 HydrophobicContact CG-CG2 3.69Å; E498-V500 HydrophobicContact CB-CG1 4.36Å; E498-V500 HydrophobicContact CG-CG1 3.84Å; E498-V500 PolarHBondContact O-N 3.32Å; V500-Q507 HydrophobicContact CG2-CG 4Å; V500-Q507 VanDerWaalsContact CG2-O 3.26Å; V500-Q507 WeakPolarHBondContact CG2-O 2.94Å; V500-Q507 PolarHBondContact N-O 3.41Å; V500-Q507 PolarHBondContact O-N 2.77Å; V500-Q507 VanDerWaalsContact O-O 3.08Å; V500-A509 HydrophobicContact CG1-CB 4.22Å; V500-A509 HydrophobicContact CG2-CB 4.1Å
501K84.3Confident89.3Confident141 Ų14140 Ų4061%0.61322%0.215SC*.EExtended strand (participates in β ladder)trans-96.4126.1174.8-61.9-166.5-176.6-126.10110.4L505 E506K501-L505 CarbonylContact C-O 3.6Å; K501-L505 WeakPolarHBondContact CA-O 2.92Å; K501-E506 VanDerWaalsContact CE-OE1 3.25Å; K501-E506 WeakPolarHBondContact CE-OE1 3.33Å; K501-E506 HydrophobicContact CG-CG 4.15Å; K501-E506 IonicContact NZ-OE1 2.79Å; K501-E506 PolarHBondContact NZ-OE1 2.68Å
502K78.1Confident89.4Confident47 Ų4742.9 Ų42.920%0.20423%0.227CC..EExtended strand (participates in β ladder)trans-126.7121.6172.5-161.7-176173.81750108.7S76 V77 P79 G504 L505 Q507S76-K502 PolarHBondContact OG-NZ 3.17Å; V77-K502 VanDerWaalsContact O-CE 3.25Å; V77-K502 WeakPolarHBondContact O-CE 3.28Å; P79-K502 HydrophobicContact CB-CB 4Å; P79-K502 HydrophobicContact CB-CG 4.23Å; K502-G504 PolarHBondContact O-N 3.28Å; K502-L505 PolarHBondContact N-O 2.73Å; K502-L505 WeakPolarHBondContact O-CA 3.39Å; K502-L505 PolarHBondContact O-N 2.72Å; K502-Q507 HydrophobicContact CB-CG 4.21Å
503D78.7Confident89.4Confident144 Ų14441.3 Ų41.377%0.7722%0.216SC*.THydrogen-bonded Turntrans52.432.7176.5-52.5-39.6000114L505D503-L505 VanDerWaalsContact C-N 3.28Å; D503-L505 PolarHBondContact O-N 3.16Å
504G78.7Confident89.3Confident70 Ų7045.1 Ų45.172%0.72223%0.231SC*.THydrogen-bonded Turntrans84-10.5-17700000115.4K502K502-G504 PolarHBondContact O-N 3.28Å
505L84.3Confident89.3Confident129 Ų12944.5 Ų44.568%0.67523%0.229SC*.EExtended strand (participates in β ladder)trans-92.7144.2175.9-63172.8000111.3K501 K502 D503K501-L505 CarbonylContact C-O 3.6Å; K501-L505 WeakPolarHBondContact CA-O 2.92Å; K502-L505 PolarHBondContact N-O 2.73Å; K502-L505 WeakPolarHBondContact O-CA 3.39Å; K502-L505 PolarHBondContact O-N 2.72Å; D503-L505 VanDerWaalsContact C-N 3.28Å; D503-L505 PolarHBondContact O-N 3.16Å
506E86.2Confident89.2Confident107 Ų10746.1 Ų46.150%0.524%0.237SC..EExtended strand (participates in β ladder)trans-89.6128.9174.4-70.8-179.8171.800109.7L499 K501L499-E506 HydrophobicContact CD1-CB 4.02Å; L499-E506 HydrophobicContact CG-CB 4.36Å; K501-E506 VanDerWaalsContact CE-OE1 3.25Å; K501-E506 WeakPolarHBondContact CE-OE1 3.33Å; K501-E506 HydrophobicContact CG-CG 4.15Å; K501-E506 IonicContact NZ-OE1 2.79Å; K501-E506 PolarHBondContact NZ-OE1 2.68Å
507Q89.9Confident89Confident60 Ų6047.1 Ų47.128%0.2824%0.242SC..EExtended strand (participates in β ladder)trans-144.7160.4178.261.3171.54500110.3F135 V500 K502F135-Q507 PolarHBondContact O-NE2 3.4Å; V500-Q507 HydrophobicContact CG2-CG 4Å; V500-Q507 VanDerWaalsContact CG2-O 3.26Å; V500-Q507 WeakPolarHBondContact CG2-O 2.94Å; V500-Q507 PolarHBondContact N-O 3.41Å; V500-Q507 PolarHBondContact O-N 2.77Å; V500-Q507 VanDerWaalsContact O-O 3.08Å; K502-Q507 HydrophobicContact CB-CG 4.21Å
508Y91Very high88.7Confident33 Ų3347.3 Ų47.313%0.12924%0.244CC..EExtended strand (participates in β ladder)trans-92.5135.8178.1-77.4-79.6000112.4V139 L184 P475 P476 E498 L499V139-Y508 HydrophobicContact CG1-CD2 4.32Å; L184-Y508 HydrophobicContact CD1-CD1 4.3Å; L184-Y508 HydrophobicContact CD1-CD2 3.62Å; L184-Y508 HydrophobicContact CD1-CE1 4.04Å; L184-Y508 HydrophobicContact CD1-CE2 3.31Å; L184-Y508 HydrophobicContact CD1-CG 4.1Å; L184-Y508 HydrophobicContact CD2-CD1 4.2Å; L184-Y508 HydrophobicContact CD2-CE1 3.88Å; P475-Y508 VanDerWaalsContact CB-OH 3.23Å; P475-Y508 WeakPolarHBondContact CB-OH 3.33Å; P476-Y508 WeakPolarHBondContact CD-OH 3.38Å; P476-Y508 WeakPolarHBondContact O-CE1 3.27Å; P476-Y508 PolarHBondContact O-OH 3.18Å; E498-Y508 WeakPolarHBondContact O-CA 3.34Å; L499-Y508 HydrophobicContact CB-CD1 4.37Å; L499-Y508 HydrophobicContact CB-CE1 3.91Å; L499-Y508 HydrophobicContact CD1-CD1 4.35Å; L499-Y508 HydrophobicContact CD1-CD2 4.13Å; L499-Y508 HydrophobicContact CD1-CE1 4.03Å; L499-Y508 HydrophobicContact CD1-CE2 3.79Å; L499-Y508 HydrophobicContact CD1-CG 4.41Å
509A90.7Very high88.1Confident0 Ų053.9 Ų53.90%027%0.27CS..EExtended strand (participates in β ladder)trans-102.9140.5161.700000109.1E134 F135 Y497 E498 V500E134-A509 CarbonylContact O-C 3.52Å; E134-A509 WeakPolarHBondContact O-CA 3.45Å; F135-A509 HydrophobicContact CD1-CB 3.65Å; F135-A509 HydrophobicContact CE1-CB 3.91Å; Y497-A509 CarbonylContact C-O 3.6Å; Y497-A509 WeakPolarHBondContact CA-O 3.46Å; E498-A509 PolarHBondContact N-O 3.14Å; E498-A509 PolarHBondContact O-N 2.83Å; V500-A509 HydrophobicContact CG1-CB 4.22Å; V500-A509 HydrophobicContact CG2-CB 4.1Å
510C91.8Very high87.4Confident13 Ų1354.5 Ų54.59%0.08827%0.27CS..EExtended strand (participates in β ladder)trans-110126.8176179.30000109.8S133 E134 V137 I496 Y497S133-C510 CarbonylContact C-O 3.53Å; S133-C510 VanDerWaalsContact CA-O 3.3Å; S133-C510 WeakPolarHBondContact CA-O 3.17Å; E134-C510 PolarHBondContact N-O 2.71Å; E134-C510 PolarHBondContact O-N 3.31Å; V137-C510 HydrophobicContact CB-CB 4.29Å; V137-C510 HydrophobicContact CG1-CB 3.87Å; V137-C510 HydrophobicContact CG2-CB 3.43Å; V137-C510 VanDerWaalsContact CG2-CB 3.43Å; I496-C510 CarbonylContact O-C 3.43Å; I496-C510 VanDerWaalsContact O-CA 3.26Å; I496-C510 WeakPolarHBondContact O-CA 3.1Å; Y497-C510 HydrophobicContact CD1-CB 4.39Å; Y497-C510 HydrophobicContact CE1-CB 4.2Å
511H91.7Very high86.5Confident0 Ų057.3 Ų57.30%029%0.289CS..EExtended strand (participates in β ladder)trans-116119.9174.8-48-75.2000108.9S81 F84 S132 S133 I496 E498 L513S81-H511 PolarHBondContact OG-CE1 3.22Å; S81-H511 PolarHBondContact OG-NE2 2.74Å; S81-H511 VanDerWaalsContact OG-NE2 3.17Å; F84-H511 HydrophobicContact CD2-CB 3.75Å; F84-H511 AromaticContact CD2-CD2 3.88Å; F84-H511 AromaticContact CD2-CE1 3.77Å; F84-H511 AromaticContact CD2-CG 3.36Å; F84-H511 AromaticContact CD2-ND1 3.3Å; F84-H511 VanDerWaalsContact CD2-ND1 3.3Å; F84-H511 WeakPolarHBondContact CD2-ND1 3.44Å; F84-H511 HydrophobicContact CE2-CB 3.65Å; F84-H511 AromaticContact CE2-CG 3.74Å; F84-H511 AromaticContact CG-ND1 3.95Å; S132-H511 CarbonylContact O-C 3.53Å; S132-H511 WeakPolarHBondContact O-CA 3.42Å; S133-H511 WeakPolarHBondContact CB-ND1 3.23Å; S133-H511 PolarHBondContact OG-ND1 3.19Å; I496-H511 HydrophobicContact CB-CB 4.23Å; I496-H511 PolarHBondContact N-O 2.77Å; I496-H511 PolarHBondContact O-N 2.88Å; E498-H511 IonicContact OE2-NE2 3.78Å; E498-H511 PolarHBondContact OE2-NE2 3.28Å; H511-L513 HydrophobicContact CB-CD1 4.11Å
512K92.2Very high85.4Confident63 Ų6357.2 Ų57.227%0.27430%0.295SS..EExtended strand (participates in β ladder)trans-106115177.1-175.4173.5-174.9165.20109.1I131 S132 S150 I493 R494I131-K512 CarbonylContact C-O 3.59Å; I131-K512 WeakPolarHBondContact CA-O 3.3Å; S132-K512 PolarHBondContact N-O 3.07Å; S132-K512 PolarHBondContact O-N 2.88Å; S150-K512 PolarHBondContact OG-NZ 2.67Å; I493-K512 HydrophobicContact CG2-CG 4.34Å; R494-K512 WeakPolarHBondContact O-CA 3.26Å
513L93.8Very high84.1Confident0 Ų058.9 Ų58.90%031%0.305CS..EExtended strand (participates in β ladder)trans-106.9130.3173.7-65.363.7000107.7F4 V5 F9 F84 L129 R130 I131 I493 R494 I496 H511F4-L513 HydrophobicContact CD1-CD2 4.34Å; F4-L513 HydrophobicContact CE1-CD2 3.98Å; V5-L513 HydrophobicContact CG2-CD2 4.34Å; F9-L513 HydrophobicContact CE2-CB 3.76Å; F9-L513 HydrophobicContact CE2-CD2 3.71Å; F9-L513 HydrophobicContact CE2-CG 4.4Å; F9-L513 HydrophobicContact CZ-CB 3.9Å; F84-L513 HydrophobicContact CE2-CD1 4.04Å; F84-L513 HydrophobicContact CZ-CD1 3.78Å; F84-L513 HydrophobicContact CZ-CD2 4.03Å; F84-L513 HydrophobicContact CZ-CG 4.19Å; L129-L513 HydrophobicContact CD1-CB 4.43Å; R130-L513 CarbonylContact O-C 3.6Å; R130-L513 WeakPolarHBondContact O-CA 3.49Å; I131-L513 HydrophobicContact CB-CG 4.43Å; I131-L513 HydrophobicContact CD1-CD2 4.42Å; I131-L513 HydrophobicContact CD1-CG 4.3Å; I131-L513 HydrophobicContact CG1-CG 4.02Å; I131-L513 HydrophobicContact CG2-CD1 4.07Å; I131-L513 HydrophobicContact CG2-CG 4Å; I493-L513 CarbonylContact C-O 3.6Å; I493-L513 VanDerWaalsContact CA-O 3.28Å; I493-L513 WeakPolarHBondContact CA-O 3.36Å; R494-L513 HydrophobicContact CB-CB 4.23Å; R494-L513 PolarHBondContact N-O 3.12Å; R494-L513 PolarHBondContact O-N 3.3Å; I496-L513 HydrophobicContact CD1-CD1 3.56Å; I496-L513 HydrophobicContact CD1-CD2 4.47Å; H511-L513 HydrophobicContact CB-CD1 4.11Å
514R93.7Very high82.2Confident81 Ų8160.9 Ų60.931%0.30633%0.33SS..EExtended strand (participates in β ladder)trans-130.8115.6179.8178.7169-171-168.6-0.7109.3L129 R130 I493 I516L129-R514 CarbonylContact C-O 3.5Å; L129-R514 WeakPolarHBondContact CA-O 3.4Å; R130-R514 PolarHBondContact N-O 3.14Å; R130-R514 PolarHBondContact O-N 2.93Å; I493-R514 HydrophobicContact CD1-CG 4.43Å; I493-R514 HydrophobicContact CG1-CB 4.35Å; I493-R514 HydrophobicContact CG1-CG 4.01Å; R514-I516 HydrophobicContact CG-CD1 4.13Å; R514-I516 HydrophobicContact CG-CG1 3.91Å
515M93.6Very high82.4Confident7 Ų760.4 Ų60.43%0.03431%0.311CS..EExtended strand (participates in β ladder)trans-104.7127173-169.873.177.100108.8F9 V11 R127 I128 L129 T491 S492F9-M515 HydrophobicContact CB-CE 3.56Å; F9-M515 HydrophobicContact CD1-CB 3.72Å; F9-M515 HydrophobicContact CD1-CE 4.05Å; F9-M515 HydrophobicContact CD1-CG 4.22Å; F9-M515 HydrophobicContact CD2-CE 4.03Å; F9-M515 HydrophobicContact CE1-CB 3.57Å; F9-M515 HydrophobicContact CG-CB 4.43Å; F9-M515 HydrophobicContact CG-CE 3.63Å; F9-M515 HydrophobicContact CZ-CB 4.18Å; V11-M515 HydrophobicContact CG1-CE 3.93Å; V11-M515 HydrophobicContact CG2-CE 3.75Å; R127-M515 HydrophobicContact CB-CG 4.1Å; R127-M515 HydrophobicContact CB-SD 3.55Å; R127-M515 VanDerWaalsContact CB-SD 3.55Å; I128-M515 CarbonylContact O-C 3.59Å; I128-M515 VanDerWaalsContact O-CA 3.3Å; I128-M515 WeakPolarHBondContact O-CA 3.39Å; L129-M515 HydrophobicContact CB-CE 3.88Å; L129-M515 HydrophobicContact CB-SD 3.8Å; L129-M515 HydrophobicContact CD1-CB 4.48Å; L129-M515 HydrophobicContact CD1-CE 3.89Å; L129-M515 HydrophobicContact CD1-SD 4.35Å; L129-M515 HydrophobicContact CD2-CE 4.05Å; L129-M515 HydrophobicContact CG-CE 4.15Å; T491-M515 CarbonylContact C-O 3.59Å; T491-M515 WeakPolarHBondContact CA-O 2.9Å; S492-M515 PolarHBondContact N-O 3.44Å; S492-M515 PolarHBondContact O-N 2.89Å
516I92.4Very high82.3Confident38 Ų3856.8 Ų56.820%0.19529%0.292CS..EExtended strand (participates in β ladder)trans-127.6129.3178.2-53.6174.2000108.6R127 I128 V489 T491 R514R127-I516 CarbonylContact C-O 3.58Å; R127-I516 WeakPolarHBondContact CA-O 3.14Å; I128-I516 PolarHBondContact N-O 2.9Å; I128-I516 PolarHBondContact O-N 3.34Å; V489-I516 HydrophobicContact CG2-CG2 3.77Å; T491-I516 HydrophobicContact CG2-CG1 4.03Å; R514-I516 HydrophobicContact CG-CD1 4.13Å; R514-I516 HydrophobicContact CG-CG1 3.91Å
517D90.1Very high82Confident21 Ų2154 Ų5411%0.11228%0.28CS..EExtended strand (participates in β ladder)trans-76137.3170.5-72.7-12.1000110.4R121 R127 P490R121-D517 IonicContact CZ-OD2 2.78Å; R121-D517 IonicContact NE-OD2 2.71Å; R121-D517 IonicContact NH1-OD2 3.31Å; R121-D517 PolarHBondContact NH1-OD2 3.38Å; R121-D517 IonicContact NH2-OD2 3.27Å; R127-D517 WeakPolarHBondContact CD-OD1 3.44Å; R127-D517 VanDerWaalsContact CG-OD1 3.24Å; R127-D517 WeakPolarHBondContact CG-OD1 3.39Å; P490-D517 HydrophobicContact CB-CB 4.05Å; P490-D517 VanDerWaalsContact CB-OD2 3.3Å; P490-D517 WeakPolarHBondContact CB-OD2 3.43Å; P490-D517 HydrophobicContact CG-CB 4.23Å; P490-D517 PolarHBondContact O-N 3.45Å
518S87.2Confident81.6Confident7 Ų753.6 Ų53.65%0.04928%0.28CS..EExtended strand (participates in β ladder)trans-137.3143-175.2-179.60000110S125 K126 W520S125-S518 CarbonylContact C-O 3.5Å; S125-S518 WeakPolarHBondContact CA-O 3.29Å; S125-S518 VanDerWaalsContact CB-O 3.32Å; S125-S518 WeakPolarHBondContact CB-O 3.45Å; K126-S518 PolarHBondContact N-O 3.05Å; K126-S518 PolarHBondContact O-N 3.47Å; K126-S518 VanDerWaalsContact O-O 3.13Å; S518-W520 PolarHBondContact OG-NE1 3.01Å
519Y81.8Confident81Confident139 Ų13954.9 Ų54.955%0.54529%0.289SS..EExtended strand (participates in β ladder)trans-97.5130.8177.7-176.6-110.9000110.7T124 P521T124-Y519 WeakPolarHBondContact O-CD2 3Å; Y519-P521 HydrophobicContact CD1-CB 4.45Å; Y519-P521 HydrophobicContact CD1-CG 4.15Å; Y519-P521 HydrophobicContact CE1-CB 3.6Å; Y519-P521 HydrophobicContact CE1-CG 3.68Å
520W77.2Confident80.4Confident39 Ų3958.6 Ų58.615%0.14831%0.309CS..  trans-133.983.7-175.1-64.366.8000108.9I57 T124 K126 I128 S518 N522 I523I57-W520 HydrophobicContact CG2-CE3 4.46Å; I57-W520 HydrophobicContact CG2-CH2 4.14Å; I57-W520 HydrophobicContact CG2-CZ3 3.87Å; T124-W520 CarbonylContact C-O 3.59Å; T124-W520 WeakPolarHBondContact CA-O 3.45Å; T124-W520 CarbonylContact O-C 3.47Å; T124-W520 PolarHBondContact O-N 2.81Å; K126-W520 HydrophobicContact CD-CD2 4.35Å; K126-W520 HydrophobicContact CG-CG 4.38Å; I128-W520 HydrophobicContact CD1-CZ2 4.5Å; S518-W520 PolarHBondContact OG-NE1 3.01Å; W520-N522 VanDerWaalsContact C-N 3.29Å; W520-N522 PolarHBondContact O-N 3.12Å; W520-I523 HydrophobicContact CB-CD1 3.44Å; W520-I523 VanDerWaalsContact CB-CD1 3.44Å; W520-I523 HydrophobicContact CB-CG1 3.8Å; W520-I523 HydrophobicContact CD2-CD1 4.06Å; W520-I523 HydrophobicContact CE3-CD1 3.93Å; W520-I523 HydrophobicContact CE3-CG1 4.39Å; W520-I523 HydrophobicContact CG-CD1 3.9Å
521P68.3Low79.5Confident64 Ų6461.9 Ų61.942%0.41632%0.324SS..THydrogen-bonded Turntrans-67.4-26.4-173.421.6-28.5000113.8Y519Y519-P521 HydrophobicContact CD1-CB 4.45Å; Y519-P521 HydrophobicContact CD1-CG 4.15Å; Y519-P521 HydrophobicContact CE1-CB 3.6Å; Y519-P521 HydrophobicContact CE1-CG 3.68Å
522N62.9Low78.6Confident140 Ų14066.6 Ų66.675%0.74935%0.349SS*.THydrogen-bonded Turntrans-106.738.5-169.3-65-6.2000113.6W520 S524W520-N522 VanDerWaalsContact C-N 3.29Å; W520-N522 PolarHBondContact O-N 3.12Å; N522-S524 PolarHBondContact O-N 3.09Å
523I50.9Low77.5Confident82 Ų8266.9 Ų66.942%0.42136%0.356SS..  trans-97.481170.3-52.4-177.6000107.7K126 W520K126-I523 HydrophobicContact CD-CD1 3.97Å; K126-I523 HydrophobicContact CG-CD1 4.39Å; W520-I523 HydrophobicContact CB-CD1 3.44Å; W520-I523 VanDerWaalsContact CB-CD1 3.44Å; W520-I523 HydrophobicContact CB-CG1 3.8Å; W520-I523 HydrophobicContact CD2-CD1 4.06Å; W520-I523 HydrophobicContact CE3-CD1 3.93Å; W520-I523 HydrophobicContact CE3-CG1 4.39Å; W520-I523 HydrophobicContact CG-CD1 3.9Å
524S37.8Very low76Confident185 Ų18573 Ų73100%1.29439%0.388SS*.  trans-122.90164.759.80000108.8N522N522-S524 PolarHBondContact O-N 3.09Å

Retrieved 524 of 524 residues in 173.7 ms (Link to these results)

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