A0A060WR34_ONCMY Loading...

Phosphatidylinositol 3-kinase catalytic subunit type 3

AlphaFold DB , UniProt , Accession A0A060WR34, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110500468, Length 878 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
1M37.5Very low67.8Low240 Ų240110.4 Ų110.4100%1.18254%0.543SS*.  083.40-72-178.3-172.900106.3T3M1-T3 PolarHBondContact O-N 3.15Å
2D40.5Very low69.4Low166 Ų166103.8 Ų103.889%0.88852%0.516SS*.  trans-80114.8169.4-81.2-37.8000106.9D4D2-D4 PolarHBondContact O-N 3.38Å
3T42.9Very low70.7Confident114 Ų114103.8 Ų103.870%0.69952%0.519SS*.  trans-58121172.644.40000109.4M1 K5M1-T3 PolarHBondContact O-N 3.15Å; T3-K5 PolarHBondContact O-N 3.25Å
4D56.8Low71.9Confident145 Ų14597.9 Ų97.978%0.77549%0.49SS*.  trans-54.798.7170.5-88.8-32.1000109.8D2 F6D2-D4 PolarHBondContact O-N 3.38Å; D4-F6 PolarHBondContact O-N 3.29Å
5K66Low72.9Confident168 Ų16898.8 Ų98.873%0.7350%0.497SS*.  trans-77.3107.9175.5-75.3179.2179.71760108.8T3 N7T3-K5 PolarHBondContact O-N 3.25Å; K5-N7 PolarHBondContact O-N 3.42Å; K5-N7 PolarHBondContact O-ND2 3.19Å
6F71.8Confident73.9Confident117 Ų11798.4 Ų98.451%0.51350%0.495SS..  trans-79110.1170.4-178.9-106000110D4 Y8 M134 V234D4-F6 PolarHBondContact O-N 3.29Å; F6-Y8 AromaticContact CD1-CD1 3.72Å; F6-Y8 HydrophobicContact CD1-CD1 3.72Å; F6-Y8 HydrophobicContact CD1-CG 4.37Å; F6-Y8 AromaticContact CE1-CD1 3.77Å; F6-Y8 HydrophobicContact CE1-CD1 3.77Å; F6-Y8 AromaticContact CE1-CG 3.98Å; F6-Y8 HydrophobicContact CE1-CG 3.98Å; F6-M134 HydrophobicContact CE2-CE 4.03Å; F6-M134 HydrophobicContact CZ-CE 3.72Å; F6-V234 HydrophobicContact CE1-CG2 4.44Å
7N80.4Confident74.9Confident50 Ų5095.2 Ų95.227%0.26748%0.48SS..  trans-95.6126.4178.4-56.3-61.2000110K5 P229 Y231 S232K5-N7 PolarHBondContact O-N 3.42Å; K5-N7 PolarHBondContact O-ND2 3.19Å; N7-P229 VanDerWaalsContact ND2-CG 3.31Å; N7-P229 WeakPolarHBondContact ND2-CG 3.45Å; N7-Y231 HydrophobicContact CB-CD1 3.69Å; N7-Y231 HydrophobicContact CB-CE1 3.78Å; N7-Y231 HydrophobicContact CB-CG 4.25Å; N7-S232 PolarHBondContact O-N 3.36Å
8Y83.7Confident75.8Confident105 Ų10589.9 Ų89.941%0.41245%0.453SS..EExtended strand (participates in β ladder)trans-139.9161.5-179.969.7-87.2000112.7F6 Y10 S232 V234F6-Y8 AromaticContact CD1-CD1 3.72Å; F6-Y8 HydrophobicContact CD1-CD1 3.72Å; F6-Y8 HydrophobicContact CD1-CG 4.37Å; F6-Y8 AromaticContact CE1-CD1 3.77Å; F6-Y8 HydrophobicContact CE1-CD1 3.77Å; F6-Y8 AromaticContact CE1-CG 3.98Å; F6-Y8 HydrophobicContact CE1-CG 3.98Å; Y8-Y10 HydrophobicContact CD2-CD1 4.36Å; Y8-Y10 HydrophobicContact CD2-CE1 4.16Å; Y8-Y10 HydrophobicContact CE2-CD1 4.09Å; Y8-Y10 HydrophobicContact CE2-CD2 4.49Å; Y8-Y10 AromaticContact CE2-CE1 3.51Å; Y8-Y10 HydrophobicContact CE2-CE1 3.51Å; Y8-Y10 AromaticContact CE2-CE2 3.97Å; Y8-Y10 HydrophobicContact CE2-CE2 3.97Å; Y8-Y10 AromaticContact CE2-CZ 3.46Å; Y8-Y10 VanDerWaalsContact CE2-CZ 3.46Å; Y8-Y10 PolarHBondContact OH-OH 3.32Å; Y8-S232 CarbonylContact C-O 3.39Å; Y8-S232 WeakPolarHBondContact CA-O 3.32Å; Y8-S232 VanDerWaalsContact CB-O 3.29Å; Y8-S232 WeakPolarHBondContact CB-O 3.49Å; Y8-V234 HydrophobicContact CD2-CB 4.32Å; Y8-V234 HydrophobicContact CD2-CG2 4.15Å; Y8-V234 HydrophobicContact CG-CG2 4.18Å
9V88.5Confident76.7Confident34 Ų3489.6 Ų89.621%0.20645%0.45CS..EExtended strand (participates in β ladder)trans-131.4141.2172.4-179.40000108D13 L14 Y231 S232 I233 V234V9-D13 HydrophobicContact CG1-CB 4.35Å; V9-L14 HydrophobicContact CB-CD1 4.47Å; V9-L14 HydrophobicContact CG1-CD1 4.06Å; V9-L14 HydrophobicContact CG1-CD2 3.84Å; V9-L14 HydrophobicContact CG1-CG 3.7Å; V9-Y231 HydrophobicContact CG2-CD1 3.81Å; V9-Y231 HydrophobicContact CG2-CG 4.08Å; V9-S232 PolarHBondContact N-O 3.08Å; V9-I233 CarbonylContact O-C 3.36Å; V9-I233 WeakPolarHBondContact O-CA 3.37Å; V9-V234 PolarHBondContact O-N 2.88Å
10Y88.8Confident77.6Confident73 Ų7385.1 Ų85.129%0.28643%0.427SS..EExtended strand (participates in β ladder)trans-75.9145.4177.4-68.1-55.5000112.1Y8 C12 D13 V234 Y236Y8-Y10 HydrophobicContact CD2-CD1 4.36Å; Y8-Y10 HydrophobicContact CD2-CE1 4.16Å; Y8-Y10 HydrophobicContact CE2-CD1 4.09Å; Y8-Y10 HydrophobicContact CE2-CD2 4.49Å; Y8-Y10 AromaticContact CE2-CE1 3.51Å; Y8-Y10 HydrophobicContact CE2-CE1 3.51Å; Y8-Y10 AromaticContact CE2-CE2 3.97Å; Y8-Y10 HydrophobicContact CE2-CE2 3.97Å; Y8-Y10 AromaticContact CE2-CZ 3.46Å; Y8-Y10 VanDerWaalsContact CE2-CZ 3.46Å; Y8-Y10 PolarHBondContact OH-OH 3.32Å; Y10-C12 VanDerWaalsContact C-N 3.26Å; Y10-C12 PolarHBondContact O-N 2.99Å; Y10-D13 PolarHBondContact O-N 3.47Å; Y10-D13 VanDerWaalsContact O-N 3.12Å; Y10-V234 CarbonylContact C-O 3.08Å; Y10-V234 VanDerWaalsContact CA-O 3.3Å; Y10-V234 WeakPolarHBondContact CA-O 3.25Å; Y10-V234 HydrophobicContact CD1-CB 4.45Å; Y10-Y236 HydrophobicContact CD1-CD1 4.45Å; Y10-Y236 AromaticContact CD1-CG 3.87Å; Y10-Y236 HydrophobicContact CD1-CG 3.87Å; Y10-Y236 HydrophobicContact CD2-CD1 4.45Å; Y10-Y236 HydrophobicContact CE1-CD2 4.3Å; Y10-Y236 HydrophobicContact CE1-CG 4.11Å; Y10-Y236 HydrophobicContact CG-CD1 4.25Å; Y10-Y236 HydrophobicContact CG-CG 4.13Å
11S88.9Confident78.4Confident2 Ų282.6 Ų82.61%0.01441%0.414CS..G310 helixtrans-58.7-37.3177.955.30000112.5D13 L14 Y96 P97 V234 Y235 Y236S11-D13 PolarHBondContact O-N 3.45Å; S11-L14 PolarHBondContact O-N 3.35Å; S11-Y96 CarbonylContact O-C 3.46Å; S11-P97 WeakPolarHBondContact O-CA 3.01Å; S11-P97 WeakPolarHBondContact O-CG 3.46Å; S11-V234 PolarHBondContact N-O 2.64Å; S11-Y235 WeakPolarHBondContact OG-CA 3.47Å; S11-Y236 PolarHBondContact OG-N 2.84Å; S11-Y236 VanDerWaalsContact OG-N 3.08Å; S11-Y236 PolarHBondContact OG-O 3.47Å
12C87.1Confident81.2Confident32 Ų3271.1 Ų71.122%0.21636%0.357CS..G310 helixtrans-65.2-23.5177.364.30000114.3Y10 Y236Y10-C12 VanDerWaalsContact C-N 3.26Å; Y10-C12 PolarHBondContact O-N 2.99Å; C12-Y236 WeakPolarHBondContact CB-O 3.48Å
13D86.6Confident83.6Confident103 Ų10363.2 Ų63.255%0.55132%0.315SS*.G310 helixtrans-90.5-3.6-175.7-62.8-24.6000112.5V9 Y10 S11V9-D13 HydrophobicContact CG1-CB 4.35Å; Y10-D13 PolarHBondContact O-N 3.47Å; Y10-D13 VanDerWaalsContact O-N 3.12Å; S11-D13 PolarHBondContact O-N 3.45Å
14L86.4Confident85.9Confident22 Ų2258.8 Ų58.812%0.11529%0.289CS..  trans-104.583-176-72.1172.1000111.6V9 S11 I16 Y96 P97 V223 I233V9-L14 HydrophobicContact CB-CD1 4.47Å; V9-L14 HydrophobicContact CG1-CD1 4.06Å; V9-L14 HydrophobicContact CG1-CD2 3.84Å; V9-L14 HydrophobicContact CG1-CG 3.7Å; S11-L14 PolarHBondContact O-N 3.35Å; L14-I16 HydrophobicContact CB-CG1 4.48Å; L14-I16 PolarHBondContact O-N 3.49Å; L14-Y96 HydrophobicContact CB-CD2 4.19Å; L14-Y96 HydrophobicContact CB-CG 4.23Å; L14-Y96 HydrophobicContact CD1-CG 4.43Å; L14-P97 VanDerWaalsContact O-CD 3.23Å; L14-P97 WeakPolarHBondContact O-CD 3.41Å; L14-V223 HydrophobicContact CD1-CG2 4.38Å; L14-I233 HydrophobicContact CD1-CB 4.35Å; L14-I233 HydrophobicContact CD1-CD1 3.77Å; L14-I233 HydrophobicContact CD1-CG1 3.74Å; L14-I233 HydrophobicContact CD1-CG2 3.79Å
15D87.5Confident87.5Confident111 Ų11152.1 Ų52.159%0.59425%0.253SS*.  trans-74.753.7178.8-16832.5000113.9K95D15-K95 VanDerWaalsContact OD1-CD 3.26Å; D15-K95 WeakPolarHBondContact OD1-CD 3.47Å; D15-K95 WeakPolarHBondContact OD1-CE 3.35Å; D15-K95 IonicContact OD1-NZ 2.64Å; D15-K95 PolarHBondContact OD1-NZ 3.44Å; D15-K95 IonicContact OD2-NZ 3.75Å
16I88.9Confident88.5Confident93 Ų9346.7 Ų46.748%0.47723%0.23SC..SBendtrans-132.7152.1178.262.9177.5000109.9L14 K95 Y96L14-I16 HydrophobicContact CB-CG1 4.48Å; L14-I16 PolarHBondContact O-N 3.49Å; I16-K95 WeakPolarHBondContact O-CA 3.37Å; I16-Y96 HydrophobicContact CD1-CD2 4.32Å; I16-Y96 HydrophobicContact CD1-CE2 4.03Å; I16-Y96 HydrophobicContact CG1-CD2 3.65Å; I16-Y96 HydrophobicContact CG1-CE2 3.76Å; I16-Y96 VanDerWaalsContact O-CD2 3.31Å; I16-Y96 WeakPolarHBondContact O-CD2 3.4Å; I16-Y96 PolarHBondContact O-N 2.98Å
17N90.8Very high88.8Confident43 Ų4342.2 Ų42.223%0.2322%0.217CC..EExtended strand (participates in β ladder)trans-66.1145.5174.6-7074.6000111.7K91 L92 V94N17-K91 HydrophobicContact CB-CD 4.23Å; N17-K91 VanDerWaalsContact CB-CE 3.42Å; N17-K91 HydrophobicContact CB-CG 3.73Å; N17-K91 VanDerWaalsContact OD1-CE 3.25Å; N17-K91 WeakPolarHBondContact OD1-CE 3.41Å; N17-L92 WeakPolarHBondContact CB-O 3.49Å; N17-L92 PolarHBondContact ND2-O 3.29Å; N17-V94 WeakPolarHBondContact CA-O 3.3Å
18V91.6Very high88.5Confident0 Ų047 Ų470%024%0.235CC..EExtended strand (participates in β ladder)trans-65.5134.6170.3-177.10000108.6L92 V94 Y96 L99 F135V18-L92 HydrophobicContact CB-CB 4.41Å; V18-L92 HydrophobicContact CB-CD1 4.38Å; V18-L92 HydrophobicContact CG1-CD1 4.03Å; V18-L92 WeakPolarHBondContact O-CB 3.48Å; V18-L92 PolarHBondContact O-N 3.17Å; V18-V94 HydrophobicContact CB-CG1 4.22Å; V18-V94 HydrophobicContact CG2-CG1 4.03Å; V18-V94 PolarHBondContact N-O 3.13Å; V18-Y96 HydrophobicContact CG2-CD1 4.13Å; V18-Y96 HydrophobicContact CG2-CD2 4.34Å; V18-Y96 HydrophobicContact CG2-CE1 4.18Å; V18-Y96 HydrophobicContact CG2-CE2 4.38Å; V18-Y96 HydrophobicContact CG2-CG 4.22Å; V18-L99 HydrophobicContact CG2-CD1 3.56Å; V18-L99 HydrophobicContact CG2-CD2 4.5Å; V18-L99 HydrophobicContact CG2-CG 4.09Å; V18-F135 HydrophobicContact CG1-CE2 4.49Å; V18-F135 HydrophobicContact CG1-CZ 4.05Å
19Q93.2Very high88.1Confident84 Ų8444.7 Ų44.739%0.39323%0.226SC..EExtended strand (participates in β ladder)trans-123.8140.7176.7-65.1-177.1-30.900109.2W89 L90 K91 P221Q19-W89 HydrophobicContact CB-CE3 3.9Å; Q19-W89 HydrophobicContact CB-CZ3 4.24Å; Q19-L90 CarbonylContact C-O 3.59Å; Q19-L90 VanDerWaalsContact CA-O 3.25Å; Q19-L90 WeakPolarHBondContact CA-O 3.36Å; Q19-K91 HydrophobicContact CG-CB 4.4Å; Q19-K91 HydrophobicContact CG-CG 4.37Å; Q19-P221 WeakPolarHBondContact O-CD 3.37Å; Q19-P221 VanDerWaalsContact O-CG 3.26Å; Q19-P221 WeakPolarHBondContact O-CG 3.31Å
20L94.1Very high87.2Confident0 Ų051.2 Ų51.20%025%0.254CS..EExtended strand (participates in β ladder)trans-132.3139.8173.3-64.5178.1000108.9L90 L92 V105 V218 F220L20-L90 PolarHBondContact N-O 3.24Å; L20-L90 PolarHBondContact O-N 2.92Å; L20-L92 HydrophobicContact CD1-CD1 3.89Å; L20-L92 HydrophobicContact CG-CD1 4.15Å; L20-V105 HydrophobicContact CD1-CB 4.37Å; L20-V105 HydrophobicContact CD1-CG1 4.05Å; L20-V105 HydrophobicContact CD1-CG2 3.85Å; L20-V218 HydrophobicContact CB-CG1 4.41Å; L20-F220 HydrophobicContact CD2-CD1 3.38Å; L20-F220 HydrophobicContact CD2-CE1 3.56Å; L20-F220 HydrophobicContact CD2-CG 3.93Å; L20-F220 HydrophobicContact CD2-CZ 4.25Å
21K95.3Very high86.3Confident32 Ų3254.5 Ų54.514%0.13927%0.272CS..EExtended strand (participates in β ladder)trans-100.9122.5177.8-166.1-167.1-177.8-173.30110.6N87 E88 W89 V218 E219K21-N87 WeakPolarHBondContact CE-OD1 3.46Å; K21-N87 PolarHBondContact NZ-OD1 3.11Å; K21-E88 CarbonylContact C-O 3.5Å; K21-E88 VanDerWaalsContact CA-O 3.27Å; K21-E88 WeakPolarHBondContact CA-O 3.34Å; K21-W89 HydrophobicContact CB-CD2 3.58Å; K21-W89 HydrophobicContact CB-CE3 3.66Å; K21-W89 HydrophobicContact CB-CG 4.15Å; K21-W89 HydrophobicContact CB-CH2 3.93Å; K21-W89 HydrophobicContact CB-CZ2 3.87Å; K21-W89 HydrophobicContact CB-CZ3 3.85Å; K21-W89 HydrophobicContact CD-CD2 4.32Å; K21-W89 HydrophobicContact CD-CZ2 3.91Å; K21-W89 HydrophobicContact CG-CD2 3.92Å; K21-W89 HydrophobicContact CG-CE3 4.5Å; K21-W89 HydrophobicContact CG-CG 4.04Å; K21-W89 HydrophobicContact CG-CZ2 4.32Å; K21-V218 WeakPolarHBondContact O-CA 3.49Å; K21-E219 HydrophobicContact CB-CB 3.97Å; K21-E219 HydrophobicContact CB-CG 4.4Å; K21-E219 HydrophobicContact CD-CB 4.18Å; K21-E219 HydrophobicContact CD-CG 4.33Å; K21-E219 WeakPolarHBondContact CD-OE2 3.4Å; K21-E219 PolarHBondContact N-O 3.03Å; K21-E219 IonicContact NZ-OE2 3.34Å; K21-E219 PolarHBondContact NZ-OE2 2.83Å; K21-E219 PolarHBondContact O-N 3.22Å
22I95.8Very high85.4Confident0 Ų060.2 Ų60.20%030%0.296CS..EExtended strand (participates in β ladder)trans-87117.8174.7-51.8-53.1000108.4V58 T75 W86 N87 E88 L90 L107 L216 V218I22-V58 HydrophobicContact CG2-CB 4.22Å; I22-V58 HydrophobicContact CG2-CG2 3.97Å; I22-T75 HydrophobicContact CB-CG2 4.09Å; I22-T75 HydrophobicContact CG1-CG2 3.96Å; I22-T75 HydrophobicContact CG2-CG2 4.16Å; I22-W86 HydrophobicContact CB-CB 4.43Å; I22-W86 HydrophobicContact CG2-CB 4.23Å; I22-W86 HydrophobicContact CG2-CD2 4.17Å; I22-W86 HydrophobicContact CG2-CE3 4.03Å; I22-W86 HydrophobicContact CG2-CG 4.27Å; I22-N87 VanDerWaalsContact O-CA 3.28Å; I22-N87 WeakPolarHBondContact O-CA 3.43Å; I22-N87 PolarHBondContact O-N 3.43Å; I22-E88 PolarHBondContact N-O 2.82Å; I22-E88 PolarHBondContact O-N 3.23Å; I22-E88 VanDerWaalsContact O-N 3.07Å; I22-L90 HydrophobicContact CD1-CD1 4.17Å; I22-L90 HydrophobicContact CG1-CD1 3.56Å; I22-L90 HydrophobicContact CG1-CG 3.94Å; I22-L107 HydrophobicContact CD1-CD2 3.48Å; I22-L107 VanDerWaalsContact CD1-CD2 3.48Å; I22-L216 HydrophobicContact CG2-CD1 4.18Å; I22-V218 HydrophobicContact CD1-CG2 4.46Å
23G91.7Very high84.8Confident0 Ų062.3 Ų62.30%031%0.312CS..EExtended strand (participates in β ladder)trans-94-122.9-173.100000113.7N85 W86 M217G23-N85 PolarHBondContact O-OD1 3.41Å; G23-W86 PolarHBondContact O-N 2.96Å; G23-M217 VanDerWaalsContact CA-CE 3.44Å; G23-M217 WeakPolarHBondContact CA-O 3.35Å; G23-M217 PolarHBondContact N-O 2.81Å
24S90.9Very high84.1Confident20 Ų2065.8 Ų65.814%0.1432%0.318CS..EExtended strand (participates in β ladder)trans-97.5153.8174.552.70000112.4E26 W84 M217S24-E26 PolarHBondContact OG-OE1 3.31Å; S24-W84 CarbonylContact C-O 3.56Å; S24-W84 WeakPolarHBondContact CA-O 3.41Å; S24-W84 WeakPolarHBondContact CB-O 3.5Å; S24-M217 PolarHBondContact O-N 2.89Å
25L89.9Confident83.5Confident6 Ų672 Ų723%0.03134%0.344CS..EExtended strand (participates in β ladder)trans-111.8124.3164.217874.7000108L56 W84 W86 V109 V144 M214 Y215 L216L25-L56 HydrophobicContact CD2-CD1 3.92Å; L25-W84 HydrophobicContact CB-CB 3.88Å; L25-W84 HydrophobicContact CB-CE3 4.4Å; L25-W84 HydrophobicContact CD2-CD2 4.28Å; L25-W84 HydrophobicContact CD2-CE3 4.05Å; L25-W84 HydrophobicContact CG-CE3 4.23Å; L25-W84 PolarHBondContact N-O 2.95Å; L25-W86 HydrophobicContact CB-CH2 4.1Å; L25-W86 HydrophobicContact CB-CZ3 3.69Å; L25-W86 HydrophobicContact CD2-CH2 4.34Å; L25-V109 HydrophobicContact CD1-CG2 4.46Å; L25-V109 HydrophobicContact CD2-CG1 3.99Å; L25-V144 HydrophobicContact CD1-CG2 4.16Å; L25-M214 HydrophobicContact CD1-CB 4.11Å; L25-Y215 WeakPolarHBondContact CA-O 3.25Å; L25-L216 HydrophobicContact CB-CD1 4.23Å; L25-L216 HydrophobicContact CD1-CB 4.08Å; L25-L216 HydrophobicContact CD1-CD1 4.27Å
26E86Confident82.8Confident54 Ų5467.8 Ų67.825%0.25233%0.325SS..EExtended strand (participates in β ladder)trans-125.5139.3-176.8-74.3161-154.900109.9S24 K208 M214 Y215S24-E26 PolarHBondContact OG-OE1 3.31Å; E26-K208 HydrophobicContact CB-CD 4.3Å; E26-K208 WeakPolarHBondContact OE2-CD 3.23Å; E26-K208 IonicContact OE2-NZ 3.08Å; E26-K208 PolarHBondContact OE2-NZ 3.02Å; E26-K208 VanDerWaalsContact OE2-NZ 3.08Å; E26-M214 CarbonylContact O-C 3.32Å; E26-M214 WeakPolarHBondContact O-CA 3.42Å; E26-Y215 PolarHBondContact N-O 2.84Å; E26-Y215 PolarHBondContact O-N 3.49Å
27G79.6Confident81.9Confident22 Ų2265 Ų6523%0.22731%0.311CS..SBendtrans140.8174.4178.800000112.6
28K73.2Confident81Confident151 Ų15168.3 Ų68.366%0.65733%0.328SS*.  trans-95.2137178.2-68.1-180-176.6171.40110.6
29R75.4Confident80.3Confident56 Ų5675.7 Ų75.721%0.21136%0.363CS..  trans-105118.7172.8-166.9179.8172.7-160.9-3.5108.5Q31 L48 S54 D111R29-Q31 PolarHBondContact O-N 3Å; R29-L48 HydrophobicContact CB-CD2 4.46Å; R29-L48 VanDerWaalsContact CD-CD2 3.46Å; R29-L48 HydrophobicContact CG-CD2 3.74Å; R29-L48 VanDerWaalsContact CZ-CG 3.46Å; R29-L48 VanDerWaalsContact NE-CD2 3.35Å; R29-S54 PolarHBondContact NH1-OG 3Å; R29-D111 IonicContact CZ-OD2 3.18Å; R29-D111 VanDerWaalsContact CZ-OD2 3.27Å; R29-D111 IonicContact NH1-OD2 3.98Å; R29-D111 PolarHBondContact NH1-OD2 3.46Å; R29-D111 IonicContact NH2-OD2 3.86Å; R29-D111 PolarHBondContact NH2-OD2 3.46Å
30E69.6Low79.3Confident172 Ų17273.9 Ų73.980%0.80436%0.356SS*.PPolyproline II helixtrans-69.2130.7180-69.3-172165.500111.4
31Q69.4Low78.3Confident141 Ų14178.2 Ų78.266%0.65938%0.384SS*.PPolyproline II helixtrans-75.4133.4173.1-74.1-179.4-19.400110.1R29 L48R29-Q31 PolarHBondContact O-N 3Å; Q31-L48 PolarHBondContact NE2-O 3.04Å; Q31-L48 VanDerWaalsContact NE2-O 3.1Å
32K71.3Confident77.1Confident122 Ų12280.8 Ų80.853%0.5340%0.397SS..PPolyproline II helixtrans-67.8145.7177.3-66.7-170.3-178.1174.90110.7A36 L43 Y49K32-A36 HydrophobicContact CB-CB 4.21Å; K32-L43 HydrophobicContact CD-CD1 4.35Å; K32-L43 HydrophobicContact CD-CD2 3.81Å; K32-Y49 PolarHBondContact O-OH 3.36Å
33S74.1Confident75.8Confident77 Ų7781.1 Ų81.154%0.53840%0.399SS..PPolyproline II helixtrans-59.9153.5-178.373.50000112.8K35 A36 L37S33-K35 PolarHBondContact O-N 3.47Å; S33-K35 VanDerWaalsContact O-N 3.11Å; S33-A36 WeakPolarHBondContact O-CB 3.4Å; S33-A36 PolarHBondContact O-N 2.95Å; S33-L37 PolarHBondContact O-N 2.99Å
34Y70.6Confident74.5Confident175 Ų17589.7 Ų89.769%0.68643%0.432SS*.Hα-helixtrans-54.1-32.9176.5-173.4-105.7000113A36 L37 L38Y34-A36 VanDerWaalsContact C-N 3.34Å; Y34-A36 PolarHBondContact O-N 3.43Å; Y34-L37 PolarHBondContact O-N 2.94Å; Y34-L38 HydrophobicContact CD1-CD1 3.9Å; Y34-L38 HydrophobicContact CD1-CG 4.31Å; Y34-L38 HydrophobicContact CE1-CD1 3.7Å; Y34-L38 HydrophobicContact CE1-CD2 4.3Å; Y34-L38 HydrophobicContact CE1-CG 4.04Å; Y34-L38 WeakPolarHBondContact O-CG 3.18Å; Y34-L38 PolarHBondContact O-N 3.11Å
35K75.6Confident73.2Confident152 Ų15295.6 Ų95.666%0.66146%0.455SS*.Hα-helixtrans-63.8-35.9175.6-170.2178.8-179.5-179.40112.8S33 Q39S33-K35 PolarHBondContact O-N 3.47Å; S33-K35 VanDerWaalsContact O-N 3.11Å; K35-Q39 WeakPolarHBondContact O-CG 3.47Å; K35-Q39 PolarHBondContact O-N 3.33Å
36A71.9Confident72Confident24 Ų2495.4 Ų95.420%0.19845%0.454CS..Hα-helixtrans-70.5-36.7175.600000111.3K32 S33 Y34 L38 Q39 D40 L43K32-A36 HydrophobicContact CB-CB 4.21Å; S33-A36 WeakPolarHBondContact O-CB 3.4Å; S33-A36 PolarHBondContact O-N 2.95Å; Y34-A36 VanDerWaalsContact C-N 3.34Å; Y34-A36 PolarHBondContact O-N 3.43Å; A36-L38 VanDerWaalsContact C-N 3.32Å; A36-L38 PolarHBondContact O-N 2.94Å; A36-Q39 PolarHBondContact O-N 2.96Å; A36-Q39 VanDerWaalsContact O-N 3.15Å; A36-D40 PolarHBondContact O-N 3.43Å; A36-L43 HydrophobicContact CB-CD1 4.17Å; A36-L43 VanDerWaalsContact O-CD1 3.3Å; A36-L43 WeakPolarHBondContact O-CD1 3.31Å
37L70.8Confident70.9Confident33 Ų3393.3 Ų93.317%0.17345%0.447CS..Hα-helixtrans-68.1-29.9177-156.5135.1000113S33 Y34 D40 L43 R44 Y49S33-L37 PolarHBondContact O-N 2.99Å; Y34-L37 PolarHBondContact O-N 2.94Å; L37-D40 CarbonylContact O-C 3.11Å; L37-L43 HydrophobicContact CD1-CB 4.23Å; L37-L43 HydrophobicContact CG-CB 4.15Å; L37-R44 HydrophobicContact CD2-CB 4.41Å; L37-Y49 HydrophobicContact CD1-CD1 3.87Å; L37-Y49 HydrophobicContact CD1-CD2 3.96Å; L37-Y49 HydrophobicContact CD1-CE1 3.39Å; L37-Y49 HydrophobicContact CD1-CE2 3.49Å; L37-Y49 VanDerWaalsContact CD1-CE2 3.49Å; L37-Y49 HydrophobicContact CD1-CG 4.13Å
38L70.8Confident70.2Confident113 Ų11393.1 Ų93.159%0.59244%0.441SS*.Hα-helixtrans-70.6-30.9170.9-72.2171000112.9Y34 A36Y34-L38 HydrophobicContact CD1-CD1 3.9Å; Y34-L38 HydrophobicContact CD1-CG 4.31Å; Y34-L38 HydrophobicContact CE1-CD1 3.7Å; Y34-L38 HydrophobicContact CE1-CD2 4.3Å; Y34-L38 HydrophobicContact CE1-CG 4.04Å; Y34-L38 WeakPolarHBondContact O-CG 3.18Å; Y34-L38 PolarHBondContact O-N 3.11Å; A36-L38 VanDerWaalsContact C-N 3.32Å; A36-L38 PolarHBondContact O-N 2.94Å
39Q76.6Confident69.8Low155 Ų15589.4 Ų89.472%0.72442%0.423SS*.Hα-helixtrans-79.7-33.9178.6-73.1178.5-1000112.4K35 A36K35-Q39 WeakPolarHBondContact O-CG 3.47Å; K35-Q39 PolarHBondContact O-N 3.33Å; A36-Q39 PolarHBondContact O-N 2.96Å; A36-Q39 VanDerWaalsContact O-N 3.15Å
40D73.6Confident69.3Low47 Ų4791.7 Ų91.725%0.25144%0.436SS..  trans-129.995.8174.2-170.6-13.7000110.5A36 L37 M42 L43 Y113A36-D40 PolarHBondContact O-N 3.43Å; L37-D40 CarbonylContact O-C 3.11Å; D40-M42 PolarHBondContact O-N 3.42Å; D40-M42 VanDerWaalsContact O-N 3.11Å; D40-M42 VanDerWaalsContact OD1-CB 3.29Å; D40-M42 WeakPolarHBondContact OD1-CB 3.37Å; D40-M42 PolarHBondContact OD1-N 3.33Å; D40-L43 HydrophobicContact CB-CD1 4.04Å; D40-L43 HydrophobicContact CB-CG 4.25Å; D40-L43 VanDerWaalsContact O-CB 3.28Å; D40-L43 WeakPolarHBondContact O-CB 3.39Å; D40-L43 PolarHBondContact O-N 2.93Å; D40-Y113 PolarHBondContact OD1-OH 3.13Å; D40-Y113 PolarHBondContact OD2-OH 3.39Å
41P72.6Confident68.6Low91 Ų9193.3 Ų93.359%0.59144%0.444SS*.G310 helixtrans-59.8-20.1178.2-24.934.7000114L43 R44P41-L43 PolarHBondContact O-N 3.01Å; P41-R44 WeakPolarHBondContact O-CB 3.48Å; P41-R44 PolarHBondContact O-N 2.89Å
42M69.7Low68.2Low85 Ų8591.8 Ų91.842%0.41944%0.44SS..G310 helixtrans-70-19.8176.8-65.3-152.768.100112.8D40 R44 F45 Y113D40-M42 PolarHBondContact O-N 3.42Å; D40-M42 VanDerWaalsContact O-N 3.11Å; D40-M42 VanDerWaalsContact OD1-CB 3.29Å; D40-M42 WeakPolarHBondContact OD1-CB 3.37Å; D40-M42 PolarHBondContact OD1-N 3.33Å; M42-R44 PolarHBondContact O-N 3.4Å; M42-R44 VanDerWaalsContact O-N 3.1Å; M42-F45 PolarHBondContact O-N 2.77Å; M42-Y113 HydrophobicContact CB-CE1 4.11Å
43L68.2Low68.2Low8 Ų887.4 Ų87.44%0.04243%0.425CS..G310 helixtrans-54.9-30.4172.9-82.4164.2000112.1K32 A36 L37 D40 P41 F45 S46 Y49 Y113K32-L43 HydrophobicContact CD-CD1 4.35Å; K32-L43 HydrophobicContact CD-CD2 3.81Å; A36-L43 HydrophobicContact CB-CD1 4.17Å; A36-L43 VanDerWaalsContact O-CD1 3.3Å; A36-L43 WeakPolarHBondContact O-CD1 3.31Å; L37-L43 HydrophobicContact CD1-CB 4.23Å; L37-L43 HydrophobicContact CG-CB 4.15Å; D40-L43 HydrophobicContact CB-CD1 4.04Å; D40-L43 HydrophobicContact CB-CG 4.25Å; D40-L43 VanDerWaalsContact O-CB 3.28Å; D40-L43 WeakPolarHBondContact O-CB 3.39Å; D40-L43 PolarHBondContact O-N 2.93Å; P41-L43 PolarHBondContact O-N 3.01Å; L43-F45 PolarHBondContact O-N 3.03Å; L43-S46 VanDerWaalsContact O-CB 3.28Å; L43-S46 WeakPolarHBondContact O-CB 3.43Å; L43-S46 PolarHBondContact O-N 3.4Å; L43-S46 VanDerWaalsContact O-N 3.09Å; L43-Y49 HydrophobicContact CB-CE2 4.28Å; L43-Y49 WeakPolarHBondContact O-CD2 3.37Å; L43-Y49 WeakPolarHBondContact O-CE2 3.31Å; L43-Y113 HydrophobicContact CD2-CE2 3.77Å; L43-Y113 HydrophobicContact CG-CE2 4.18Å; L43-Y113 VanDerWaalsContact CG-OH 3.3Å; L43-Y113 WeakPolarHBondContact CG-OH 3.26Å; L43-Y113 PolarHBondContact N-OH 3.38Å
44R64.7Low68.2Low179 Ų17984 Ų8468%0.67540%0.401SS*.G310 helixtrans-61.8-25.2178.3-169.8178.1176.5179.8-0.8113.1L37 P41 M42L37-R44 HydrophobicContact CD2-CB 4.41Å; P41-R44 WeakPolarHBondContact O-CB 3.48Å; P41-R44 PolarHBondContact O-N 2.89Å; M42-R44 PolarHBondContact O-N 3.4Å; M42-R44 VanDerWaalsContact O-N 3.1Å
45F62.7Low68.7Low144 Ų14478.2 Ų78.263%0.63238%0.382SS*.G310 helixtrans-91.9-11.3178.3-57.6-74000113.2M42 L43 Q50M42-F45 PolarHBondContact O-N 2.77Å; L43-F45 PolarHBondContact O-N 3.03Å; F45-Q50 PolarHBondContact O-NE2 2.83Å; F45-Q50 VanDerWaalsContact O-NE2 3.1Å
46S66.8Low69.3Low2 Ų271.2 Ų71.21%0.01435%0.352CS..SBendtrans-59.5142.6169.7172.50000109.5L43 L48 Y49 D111L43-S46 VanDerWaalsContact O-CB 3.28Å; L43-S46 WeakPolarHBondContact O-CB 3.43Å; L43-S46 PolarHBondContact O-N 3.4Å; L43-S46 VanDerWaalsContact O-N 3.09Å; S46-L48 PolarHBondContact O-N 3.07Å; S46-L48 PolarHBondContact OG-N 3.39Å; S46-Y49 PolarHBondContact O-N 3.12Å; S46-Y49 VanDerWaalsContact O-N 3.1Å; S46-D111 PolarHBondContact OG-OD2 2.98Å
47G62.1Low70.3Confident10 Ų1072.6 Ų72.610%0.10335%0.352CS..THydrogen-bonded Turntrans-60.10.2175.600000114.7Y49 S54G47-Y49 VanDerWaalsContact C-N 3.33Å; G47-S54 WeakPolarHBondContact CA-OG 3.44Å; G47-S54 PolarHBondContact O-OG 3.14Å
48L64.4Low71.4Confident18 Ų1871 Ų719%0.09434%0.344CS..THydrogen-bonded Turntrans-68.9-25.1169.5-77.3172.1000114.3R29 Q31 S46R29-L48 HydrophobicContact CB-CD2 4.46Å; R29-L48 VanDerWaalsContact CD-CD2 3.46Å; R29-L48 HydrophobicContact CG-CD2 3.74Å; R29-L48 VanDerWaalsContact CZ-CG 3.46Å; R29-L48 VanDerWaalsContact NE-CD2 3.35Å; Q31-L48 PolarHBondContact NE2-O 3.04Å; Q31-L48 VanDerWaalsContact NE2-O 3.1Å; S46-L48 PolarHBondContact O-N 3.07Å; S46-L48 PolarHBondContact OG-N 3.39Å
49Y65.1Low72.5Confident73 Ų7366.9 Ų66.929%0.28632%0.323SS..SBendtrans-116.18.3-175.6-59.4-84.8000112.9K32 L37 L43 S46 G47K32-Y49 PolarHBondContact O-OH 3.36Å; L37-Y49 HydrophobicContact CD1-CD1 3.87Å; L37-Y49 HydrophobicContact CD1-CD2 3.96Å; L37-Y49 HydrophobicContact CD1-CE1 3.39Å; L37-Y49 HydrophobicContact CD1-CE2 3.49Å; L37-Y49 VanDerWaalsContact CD1-CE2 3.49Å; L37-Y49 HydrophobicContact CD1-CG 4.13Å; L43-Y49 HydrophobicContact CB-CE2 4.28Å; L43-Y49 WeakPolarHBondContact O-CD2 3.37Å; L43-Y49 WeakPolarHBondContact O-CE2 3.31Å; S46-Y49 PolarHBondContact O-N 3.12Å; S46-Y49 VanDerWaalsContact O-N 3.1Å; G47-Y49 VanDerWaalsContact C-N 3.33Å
50Q64.6Low73.4Confident105 Ų10559.5 Ų59.549%0.49129%0.289SS..SBendtrans-94.4154174.1-60.1-177.210.200109.9F45 N52F45-Q50 PolarHBondContact O-NE2 2.83Å; F45-Q50 VanDerWaalsContact O-NE2 3.1Å; Q50-N52 PolarHBondContact O-N 2.83Å
51E55.9Low74.5Confident206 Ų20659.7 Ų59.796%0.96329%0.288SS*.SBendtrans-71.2-16.4178.1-68.5-176165.700113.1
52N61.2Low75.5Confident108 Ų10855.4 Ų55.458%0.57826%0.26SS*.SBendtrans-101.8161.7-178.7-63.2-17.5000112Q50 S54Q50-N52 PolarHBondContact O-N 2.83Å; N52-S54 PolarHBondContact O-N 2.84Å
53C70Confident76.6Confident31 Ų3152.6 Ų52.621%0.20925%0.246CC..PPolyproline II helixtrans-58.2137.5173.6-71.80000111.4F80 S81C53-F80 HydrophobicContact CB-CB 3.65Å; C53-S81 PolarHBondContact SG-O 3.04Å
54S75.1Confident77.6Confident5 Ų552.7 Ų52.74%0.03525%0.247CC..PPolyproline II helixtrans-61.3142.2177.7-40.40000111.5R29 G47 N52 L56 W84R29-S54 PolarHBondContact NH1-OG 3Å; G47-S54 WeakPolarHBondContact CA-OG 3.44Å; G47-S54 PolarHBondContact O-OG 3.14Å; N52-S54 PolarHBondContact O-N 2.84Å; S54-L56 PolarHBondContact O-N 3.26Å; S54-L56 VanDerWaalsContact O-N 3.14Å; S54-W84 PolarHBondContact O-NE1 2.98Å
55D80.9Confident78.5Confident54 Ų5450.7 Ų50.729%0.28925%0.246SC..  trans-74.8100.4173.6-69.2-28.5000110.1Y77 A79D55-Y77 HydrophobicContact CB-CE2 4.41Å; D55-Y77 PolarHBondContact OD2-OH 3.49Å; D55-A79 WeakPolarHBondContact OD1-CA 3.25Å
56L88.2Confident79.4Confident5 Ų545.7 Ų45.73%0.02624%0.235CC..EExtended strand (participates in β ladder)trans-107152.4-177.8-57.2-176.4000111.3L25 S54 F80 W84 W86 V109 W110 D111 V121L25-L56 HydrophobicContact CD2-CD1 3.92Å; S54-L56 PolarHBondContact O-N 3.26Å; S54-L56 VanDerWaalsContact O-N 3.14Å; L56-F80 WeakPolarHBondContact O-CE2 3.48Å; L56-W84 HydrophobicContact CD1-CD2 4.06Å; L56-W84 HydrophobicContact CD1-CG 4.22Å; L56-W84 HydrophobicContact CD1-CZ2 4.08Å; L56-W86 HydrophobicContact CB-CH2 4.21Å; L56-W86 HydrophobicContact CB-CZ2 3.82Å; L56-W86 WeakPolarHBondContact O-CZ2 3.34Å; L56-W86 PolarHBondContact O-NE1 2.96Å; L56-V109 HydrophobicContact CB-CG1 4.25Å; L56-V109 HydrophobicContact CD1-CG1 3.95Å; L56-W110 WeakPolarHBondContact CA-O 3.32Å; L56-W110 WeakPolarHBondContact CD2-O 3.4Å; L56-D111 HydrophobicContact CD2-CB 3.86Å; L56-V121 HydrophobicContact CD2-CG2 3.9Å
57Y91.8Very high80.2Confident53 Ų5352.6 Ų52.621%0.20827%0.265CS..EExtended strand (participates in β ladder)trans-134.2155.5166.969.6-88.8000110.8T59 R74 T75 W110 V112 A118Y57-T59 HydrophobicContact CD2-CG2 4.14Å; Y57-T59 HydrophobicContact CE2-CG2 3.77Å; Y57-R74 HydrophobicContact CD2-CB 4.3Å; Y57-T75 WeakPolarHBondContact CB-OG1 3.43Å; Y57-W110 HydrophobicContact CD1-CB 3.89Å; Y57-W110 HydrophobicContact CD2-CB 4.08Å; Y57-W110 AromaticContact CD2-CD1 3.99Å; Y57-W110 HydrophobicContact CD2-CG 4.31Å; Y57-W110 HydrophobicContact CE1-CB 3.44Å; Y57-W110 VanDerWaalsContact CE1-CB 3.44Å; Y57-W110 HydrophobicContact CE1-CG 4.23Å; Y57-W110 HydrophobicContact CE2-CB 3.64Å; Y57-W110 AromaticContact CE2-CD1 3.45Å; Y57-W110 VanDerWaalsContact CE2-CD1 3.45Å; Y57-W110 AromaticContact CE2-CG 3.61Å; Y57-W110 HydrophobicContact CE2-CG 3.61Å; Y57-W110 HydrophobicContact CG-CB 4.19Å; Y57-W110 AromaticContact CZ-CD1 3.91Å; Y57-W110 AromaticContact CZ-CG 3.56Å; Y57-W110 PolarHBondContact N-O 3.12Å; Y57-W110 VanDerWaalsContact N-O 3.16Å; Y57-W110 PolarHBondContact O-N 3.42Å; Y57-V112 HydrophobicContact CD1-CG2 4.04Å; Y57-V112 HydrophobicContact CE1-CG2 3.99Å; Y57-A118 HydrophobicContact CE1-CB 4.38Å; Y57-A118 WeakPolarHBondContact OH-CB 3.46Å
58V94.4Very high81.5Confident0 Ų055.6 Ų55.60%028%0.282CS..EExtended strand (participates in β ladder)trans-112.4132.1180-175.20000109.2I22 R74 T75 W86 L107 T108 V109 L216I22-V58 HydrophobicContact CG2-CB 4.22Å; I22-V58 HydrophobicContact CG2-CG2 3.97Å; V58-R74 CarbonylContact O-C 3.16Å; V58-R74 VanDerWaalsContact O-CA 3.27Å; V58-R74 WeakPolarHBondContact O-CA 3.36Å; V58-T75 HydrophobicContact CB-CG2 3.94Å; V58-T75 PolarHBondContact N-OG1 3.44Å; V58-T75 PolarHBondContact O-N 2.94Å; V58-W86 HydrophobicContact CG2-CD2 4.39Å; V58-W86 HydrophobicContact CG2-CE3 4.47Å; V58-W86 HydrophobicContact CG2-CH2 3.95Å; V58-W86 HydrophobicContact CG2-CZ2 3.82Å; V58-W86 HydrophobicContact CG2-CZ3 4.27Å; V58-L107 HydrophobicContact CG1-CB 4.2Å; V58-L107 HydrophobicContact CG1-CD2 4.22Å; V58-T108 CarbonylContact C-O 3.5Å; V58-T108 WeakPolarHBondContact CA-O 3.42Å; V58-V109 HydrophobicContact CG2-CG2 4.22Å; V58-L216 HydrophobicContact CG1-CD2 4.12Å; V58-L216 HydrophobicContact CG2-CD1 4.42Å
59T95Very high82.5Confident26 Ų2658.4 Ų58.416%0.1630%0.297CS..EExtended strand (participates in β ladder)trans-102.2142.3166.956.60000109.9Y57 V73 R74 L107 T108 W110Y57-T59 HydrophobicContact CD2-CG2 4.14Å; Y57-T59 HydrophobicContact CE2-CG2 3.77Å; T59-V73 CarbonylContact C-O 3.38Å; T59-V73 VanDerWaalsContact CA-O 3.3Å; T59-V73 WeakPolarHBondContact CA-O 3.21Å; T59-R74 HydrophobicContact CG2-CB 4.04Å; T59-L107 CarbonylContact O-C 3.51Å; T59-L107 WeakPolarHBondContact O-CA 3.4Å; T59-T108 PolarHBondContact N-O 3.37Å; T59-T108 PolarHBondContact O-N 3.5Å; T59-T108 PolarHBondContact OG1-O 3.41Å; T59-W110 PolarHBondContact OG1-NE1 3.04Å
60C95.2Very high83.5Confident0 Ų055.6 Ų55.60%029%0.289CS..EExtended strand (participates in β ladder)trans-129.7123-177.9-1790000109.1P72 V73 L90 L92 V105 A106 L107C60-P72 WeakPolarHBondContact O-CA 3.32Å; C60-V73 PolarHBondContact N-O 2.92Å; C60-V73 PolarHBondContact O-N 3.41Å; C60-L90 HydrophobicContact CB-CD1 4.06Å; C60-L92 HydrophobicContact CB-CD2 4.18Å; C60-V105 WeakPolarHBondContact SG-CG2 3.13Å; C60-A106 WeakPolarHBondContact CA-O 3.21Å; C60-L107 HydrophobicContact CB-CD2 4.42Å; C60-L107 HydrophobicContact CB-CG 4.48Å
61Q95.1Very high84.5Confident50 Ų5055.6 Ų55.623%0.23429%0.292CS..EExtended strand (participates in β ladder)trans-135.7138.1-179-172.7171.821.700111F63 P68 A70 P72 V105 A106Q61-F63 HydrophobicContact CB-CD2 4.45Å; Q61-F63 HydrophobicContact CB-CE2 3.76Å; Q61-F63 HydrophobicContact CG-CD2 4.25Å; Q61-F63 HydrophobicContact CG-CE2 3.62Å; Q61-F63 HydrophobicContact CG-CZ 4.05Å; Q61-P68 HydrophobicContact CG-CB 4.46Å; Q61-P68 VanDerWaalsContact NE2-CB 3.26Å; Q61-A70 WeakPolarHBondContact CG-O 3.18Å; Q61-A70 PolarHBondContact NE2-O 2.93Å; Q61-P72 HydrophobicContact CB-CB 4.07Å; Q61-P72 HydrophobicContact CG-CB 4.42Å; Q61-V105 WeakPolarHBondContact O-CA 3.42Å; Q61-A106 PolarHBondContact N-O 3.31Å; Q61-A106 PolarHBondContact O-N 3.27Å
62V94.1Very high86.2Confident1 Ų149.2 Ų49.21%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-94.3135.2-179.5-174.80000109.6P68 L69 L92 V94 L99 Q104 L128V62-P68 CarbonylContact O-C 3.59Å; V62-P68 WeakPolarHBondContact O-CA 3.35Å; V62-L69 HydrophobicContact CG1-CB 4.37Å; V62-L69 HydrophobicContact CG1-CD1 4.15Å; V62-L69 PolarHBondContact O-N 3.41Å; V62-L92 HydrophobicContact CG2-CD1 3.63Å; V62-V94 HydrophobicContact CB-CG1 4.47Å; V62-V94 HydrophobicContact CG2-CG1 3.97Å; V62-L99 HydrophobicContact CG1-CD2 3.94Å; V62-Q104 CarbonylContact C-O 3.33Å; V62-Q104 WeakPolarHBondContact CA-O 3.32Å; V62-Q104 WeakPolarHBondContact CG1-O 3.39Å; V62-L128 HydrophobicContact CG1-CD1 3.95Å
63F92.9Very high87.7Confident27 Ų2745.6 Ų45.612%0.11825%0.25CC..EExtended strand (participates in β ladder)trans-126.5154.7178.9-69.9-100.6000110.6Q61 K67 P68 A103 Q104 A106Q61-F63 HydrophobicContact CB-CD2 4.45Å; Q61-F63 HydrophobicContact CB-CE2 3.76Å; Q61-F63 HydrophobicContact CG-CD2 4.25Å; Q61-F63 HydrophobicContact CG-CE2 3.62Å; Q61-F63 HydrophobicContact CG-CZ 4.05Å; F63-K67 CarbonylContact C-O 3.59Å; F63-K67 WeakPolarHBondContact CA-O 3.48Å; F63-K67 VanDerWaalsContact CD1-C 3.47Å; F63-P68 HydrophobicContact CD1-CB 4.08Å; F63-P68 HydrophobicContact CE1-CB 3.78Å; F63-P68 HydrophobicContact CE1-CG 4.28Å; F63-P68 HydrophobicContact CZ-CB 4.2Å; F63-A103 CarbonylContact O-C 3.59Å; F63-A103 WeakPolarHBondContact O-CA 3.37Å; F63-Q104 PolarHBondContact N-O 2.88Å; F63-Q104 PolarHBondContact O-N 3.16Å; F63-A106 HydrophobicContact CD2-CB 3.93Å; F63-A106 HydrophobicContact CE2-CB 3.75Å
64A89.8Confident88.8Confident9 Ų952.8 Ų52.87%0.07427%0.273CS..EExtended strand (participates in β ladder)trans-143.7136.6163.100000108.6G66 K67 L69 P100A64-G66 PolarHBondContact O-N 3.2Å; A64-K67 PolarHBondContact N-O 3.29Å; A64-K67 PolarHBondContact O-N 3.46Å; A64-L69 HydrophobicContact CB-CD1 3.68Å; A64-L69 HydrophobicContact CB-CD2 4.12Å; A64-L69 HydrophobicContact CB-CG 3.94Å; A64-P100 HydrophobicContact CB-CG 3.46Å; A64-P100 VanDerWaalsContact CB-CG 3.46Å
65E83.8Confident89.7Confident137 Ų13752.7 Ų52.764%0.6427%0.272SS*.THydrogen-bonded Turntrans52.139.5179.4-55.1179.7178.500113.2K67E65-K67 VanDerWaalsContact C-N 3.26Å; E65-K67 PolarHBondContact O-N 3.03Å
66G80.7Confident90Very high39 Ų3953.7 Ų53.740%0.40228%0.283SS..THydrogen-bonded Turntrans78.5-2.2-178.200000115.7A64 G152A64-G66 PolarHBondContact O-N 3.2Å; G66-G152 VanDerWaalsContact CA-O 3.25Å; G66-G152 WeakPolarHBondContact CA-O 3.43Å; G66-G152 PolarHBondContact N-O 3.11Å
67K85Confident89.9Confident147 Ų14761.9 Ų61.964%0.63932%0.315SS*.EExtended strand (participates in β ladder)trans-111.3138.3-176.7-65.5177.3-173.41620112.1F63 A64 E65 L69F63-K67 CarbonylContact C-O 3.59Å; F63-K67 WeakPolarHBondContact CA-O 3.48Å; F63-K67 VanDerWaalsContact CD1-C 3.47Å; A64-K67 PolarHBondContact N-O 3.29Å; A64-K67 PolarHBondContact O-N 3.46Å; E65-K67 VanDerWaalsContact C-N 3.26Å; E65-K67 PolarHBondContact O-N 3.03Å; K67-L69 PolarHBondContact O-N 2.92Å
68P88.1Confident89.4Confident74 Ų7463.6 Ų63.648%0.48132%0.323SS..EExtended strand (participates in β ladder)trans-69.3126.1176.527.8-32.6000110.5Q61 V62 F63Q61-P68 HydrophobicContact CG-CB 4.46Å; Q61-P68 VanDerWaalsContact NE2-CB 3.26Å; V62-P68 CarbonylContact O-C 3.59Å; V62-P68 WeakPolarHBondContact O-CA 3.35Å; F63-P68 HydrophobicContact CD1-CB 4.08Å; F63-P68 HydrophobicContact CE1-CB 3.78Å; F63-P68 HydrophobicContact CE1-CG 4.28Å; F63-P68 HydrophobicContact CZ-CB 4.2Å
69L86.6Confident88.7Confident77 Ų7766.9 Ų66.940%0.40335%0.351SS..  trans-85.4-23.7175.5-68.4-177000112.6V62 A64 K67 P100V62-L69 HydrophobicContact CG1-CB 4.37Å; V62-L69 HydrophobicContact CG1-CD1 4.15Å; V62-L69 PolarHBondContact O-N 3.41Å; A64-L69 HydrophobicContact CB-CD1 3.68Å; A64-L69 HydrophobicContact CB-CD2 4.12Å; A64-L69 HydrophobicContact CB-CG 3.94Å; K67-L69 PolarHBondContact O-N 2.92Å; L69-P100 HydrophobicContact CD1-CG 3.97Å
70A85.7Confident88.2Confident14 Ų1466.3 Ų66.312%0.11635%0.346CS..SBendtrans-147.6163.2-174.900000111.5Q61 P93 V94Q61-A70 WeakPolarHBondContact CG-O 3.18Å; Q61-A70 PolarHBondContact NE2-O 2.93Å; A70-P93 HydrophobicContact CB-CG 3.82Å; A70-V94 HydrophobicContact CB-CB 4.29Å
71L85.1Confident87.2Confident104 Ų10470.5 Ų70.555%0.54538%0.375SS..PPolyproline II helixtrans-66.8146.6174.2-66.5175000111V73 P93 M262L71-V73 PolarHBondContact O-N 3.4Å; L71-P93 HydrophobicContact CB-CG 4.45Å; L71-M262 HydrophobicContact CD2-CE 4.39Å
72P90.9Very high86.3Confident72 Ų7273.7 Ų73.747%0.46840%0.398SS..PPolyproline II helixtrans-65.2132.6175.827.3-33.4000110.7C60 Q61C60-P72 WeakPolarHBondContact O-CA 3.32Å; Q61-P72 HydrophobicContact CB-CB 4.07Å; Q61-P72 HydrophobicContact CG-CB 4.42Å
73V92.8Very high85.7Confident32 Ų3281.8 Ų81.819%0.19443%0.429CS..EExtended strand (participates in β ladder)trans-102.5135.8172.8-177.20000108.8T59 C60 L71 L90 L92 P93T59-V73 CarbonylContact C-O 3.38Å; T59-V73 VanDerWaalsContact CA-O 3.3Å; T59-V73 WeakPolarHBondContact CA-O 3.21Å; C60-V73 PolarHBondContact N-O 2.92Å; C60-V73 PolarHBondContact O-N 3.41Å; L71-V73 PolarHBondContact O-N 3.4Å; V73-L90 HydrophobicContact CG1-CB 4.25Å; V73-L90 HydrophobicContact CG1-CD2 4.29Å; V73-L92 HydrophobicContact CB-CD2 4.18Å; V73-L92 HydrophobicContact CG2-CD2 4.07Å; V73-P93 HydrophobicContact CG2-CG 4.2Å
74R93Very high85.5Confident182 Ų18282.1 Ų82.169%0.68743%0.429SS*.EExtended strand (participates in β ladder)trans-108.1151.9177.768.6-179.1178.7-172.2-1.4112.1Y57 V58 T59Y57-R74 HydrophobicContact CD2-CB 4.3Å; V58-R74 CarbonylContact O-C 3.16Å; V58-R74 VanDerWaalsContact O-CA 3.27Å; V58-R74 WeakPolarHBondContact O-CA 3.36Å; T59-R74 HydrophobicContact CG2-CB 4.04Å
75T93.9Very high85.5Confident4 Ų483.6 Ų83.63%0.02544%0.436CS..PPolyproline II helixtrans-63.8152.4166.555.90000111.6I22 Y57 V58 W86 E88 L90I22-T75 HydrophobicContact CB-CG2 4.09Å; I22-T75 HydrophobicContact CG1-CG2 3.96Å; I22-T75 HydrophobicContact CG2-CG2 4.16Å; Y57-T75 WeakPolarHBondContact CB-OG1 3.43Å; V58-T75 HydrophobicContact CB-CG2 3.94Å; V58-T75 PolarHBondContact N-OG1 3.44Å; V58-T75 PolarHBondContact O-N 2.94Å; T75-W86 HydrophobicContact CG2-CG 4.18Å; T75-W86 PolarHBondContact OG1-NE1 3.27Å; T75-E88 WeakPolarHBondContact CA-OE2 3.42Å; T75-E88 VanDerWaalsContact CB-OE2 3.26Å; T75-E88 WeakPolarHBondContact CB-OE2 3.42Å; T75-L90 HydrophobicContact CG2-CD1 4.03Å; T75-L90 HydrophobicContact CG2-CD2 4.2Å; T75-L90 HydrophobicContact CG2-CG 4.47Å
76S88.8Confident85.9Confident74 Ų7477.6 Ų77.652%0.51741%0.407SS..PPolyproline II helixtrans-62.8151.5170.6-61.10000110.7K78 E88S76-K78 PolarHBondContact O-N 3.37Å; S76-E88 WeakPolarHBondContact CB-OE1 3.38Å; S76-E88 VanDerWaalsContact N-CD 3.34Å; S76-E88 PolarHBondContact N-OE1 2.88Å; S76-E88 PolarHBondContact N-OE2 3.04Å; S76-E88 PolarHBondContact OG-OE1 3.43Å
77Y84.5Confident86.5Confident178 Ų17880.1 Ų80.170%0.69841%0.412SS*.PPolyproline II helixtrans-64.2133.5174.3173.9-97.8000110.5D55D55-Y77 HydrophobicContact CB-CE2 4.41Å; D55-Y77 PolarHBondContact OD2-OH 3.49Å
78K82.6Confident86.9Confident89 Ų8975.2 Ų75.239%0.38739%0.391SS..  trans-146.8128.3177.2-171174.1-172.4176.30109.4S76 F80 N85 W86S76-K78 PolarHBondContact O-N 3.37Å; K78-F80 HydrophobicContact CB-CE1 4.41Å; K78-F80 HydrophobicContact CB-CZ 4.12Å; K78-F80 HydrophobicContact CD-CE1 3.93Å; K78-F80 HydrophobicContact CD-CZ 4.34Å; K78-F80 HydrophobicContact CG-CE1 4.18Å; K78-F80 HydrophobicContact CG-CZ 4.38Å; K78-F80 WeakPolarHBondContact O-CD2 3.39Å; K78-F80 WeakPolarHBondContact O-CE2 3.3Å; K78-N85 WeakPolarHBondContact CE-O 3.46Å; K78-N85 PolarHBondContact NZ-O 3.48Å; K78-W86 PolarHBondContact NZ-O 3.12Å
79A79.8Confident87.2Confident69 Ų6976.8 Ų76.857%0.5739%0.388SS*.  trans-79.1130.9172.500000110D55D55-A79 WeakPolarHBondContact OD1-CA 3.25Å
80F83.2Confident87.5Confident13 Ų1373.4 Ų73.46%0.05737%0.37CS..  trans-104.2129.2-179.2-61-73.3000111.2C53 L56 K78 R83 W84 W86C53-F80 HydrophobicContact CB-CB 3.65Å; L56-F80 WeakPolarHBondContact O-CE2 3.48Å; K78-F80 HydrophobicContact CB-CE1 4.41Å; K78-F80 HydrophobicContact CB-CZ 4.12Å; K78-F80 HydrophobicContact CD-CE1 3.93Å; K78-F80 HydrophobicContact CD-CZ 4.34Å; K78-F80 HydrophobicContact CG-CE1 4.18Å; K78-F80 HydrophobicContact CG-CZ 4.38Å; K78-F80 WeakPolarHBondContact O-CD2 3.39Å; K78-F80 WeakPolarHBondContact O-CE2 3.3Å; F80-R83 VanDerWaalsContact CD1-O 3.28Å; F80-R83 WeakPolarHBondContact CD1-O 3.38Å; F80-W84 AromaticContact CD2-CD1 3.61Å; F80-W84 AromaticContact CG-CD1 3.74Å; F80-W86 HydrophobicContact CE2-CZ2 4.03Å; F80-W86 AromaticContact CZ-CD2 3.92Å; F80-W86 HydrophobicContact CZ-CD2 3.92Å; F80-W86 AromaticContact CZ-CE2 3.52Å; F80-W86 HydrophobicContact CZ-CG 4.22Å; F80-W86 HydrophobicContact CZ-CH2 4.49Å; F80-W86 AromaticContact CZ-CZ2 3.85Å; F80-W86 HydrophobicContact CZ-CZ2 3.85Å; F80-W86 AromaticContact CZ-NE1 3.57Å
81S75.5Confident87.9Confident88 Ų8878.7 Ų78.762%0.61539%0.39SS*.SBendtrans-92.2-61.1175.853.30000111.7C53C53-S81 PolarHBondContact SG-O 3.04Å
82T74.7Confident88.3Confident118 Ų11873.9 Ų73.972%0.72437%0.365SS*.SBendtrans-118-24.9-170.756.30000115.1
83R82.6Confident88.2Confident170 Ų17073.8 Ų73.864%0.64236%0.364SS*.SBendtrans-151.8149.2-179.864.4179.7-178.61770.4111.9F80 N85F80-R83 VanDerWaalsContact CD1-O 3.28Å; F80-R83 WeakPolarHBondContact CD1-O 3.38Å; R83-N85 HydrophobicContact CG-CB 4.43Å; R83-N85 PolarHBondContact O-N 3.36Å
84W88Confident88.1Confident34 Ų3472.7 Ų72.713%0.12936%0.358CS..EExtended strand (participates in β ladder)trans-79.2101.8172-59.9-62.7000110.3S24 L25 S54 L56 F80 W86S24-W84 CarbonylContact C-O 3.56Å; S24-W84 WeakPolarHBondContact CA-O 3.41Å; S24-W84 WeakPolarHBondContact CB-O 3.5Å; L25-W84 HydrophobicContact CB-CB 3.88Å; L25-W84 HydrophobicContact CB-CE3 4.4Å; L25-W84 HydrophobicContact CD2-CD2 4.28Å; L25-W84 HydrophobicContact CD2-CE3 4.05Å; L25-W84 HydrophobicContact CG-CE3 4.23Å; L25-W84 PolarHBondContact N-O 2.95Å; S54-W84 PolarHBondContact O-NE1 2.98Å; L56-W84 HydrophobicContact CD1-CD2 4.06Å; L56-W84 HydrophobicContact CD1-CG 4.22Å; L56-W84 HydrophobicContact CD1-CZ2 4.08Å; F80-W84 AromaticContact CD2-CD1 3.61Å; F80-W84 AromaticContact CG-CD1 3.74Å; W84-W86 HydrophobicContact CB-CH2 3.97Å; W84-W86 HydrophobicContact CB-CZ3 3.89Å; W84-W86 HydrophobicContact CG-CH2 4.49Å
85N90.7Very high88.1Confident41 Ų4167.5 Ų67.522%0.21934%0.34CS..EExtended strand (participates in β ladder)trans-139.9105.1175.8-177.5-0.2000110.1G23 K78 R83 N87G23-N85 PolarHBondContact O-OD1 3.41Å; K78-N85 WeakPolarHBondContact CE-O 3.46Å; K78-N85 PolarHBondContact NZ-O 3.48Å; R83-N85 HydrophobicContact CG-CB 4.43Å; R83-N85 PolarHBondContact O-N 3.36Å; N85-N87 WeakPolarHBondContact OD1-CB 3.38Å; N85-N87 PolarHBondContact OD1-N 2.87Å
86W92.7Very high88Confident10 Ų1067.6 Ų67.64%0.03834%0.34CS..EExtended strand (participates in β ladder)trans-76.7-52.3177.5-69.2-94.2000110.3I22 G23 L25 L56 V58 T75 K78 F80 W84 E88 L216I22-W86 HydrophobicContact CB-CB 4.43Å; I22-W86 HydrophobicContact CG2-CB 4.23Å; I22-W86 HydrophobicContact CG2-CD2 4.17Å; I22-W86 HydrophobicContact CG2-CE3 4.03Å; I22-W86 HydrophobicContact CG2-CG 4.27Å; G23-W86 PolarHBondContact O-N 2.96Å; L25-W86 HydrophobicContact CB-CH2 4.1Å; L25-W86 HydrophobicContact CB-CZ3 3.69Å; L25-W86 HydrophobicContact CD2-CH2 4.34Å; L56-W86 HydrophobicContact CB-CH2 4.21Å; L56-W86 HydrophobicContact CB-CZ2 3.82Å; L56-W86 WeakPolarHBondContact O-CZ2 3.34Å; L56-W86 PolarHBondContact O-NE1 2.96Å; V58-W86 HydrophobicContact CG2-CD2 4.39Å; V58-W86 HydrophobicContact CG2-CE3 4.47Å; V58-W86 HydrophobicContact CG2-CH2 3.95Å; V58-W86 HydrophobicContact CG2-CZ2 3.82Å; V58-W86 HydrophobicContact CG2-CZ3 4.27Å; T75-W86 HydrophobicContact CG2-CG 4.18Å; T75-W86 PolarHBondContact OG1-NE1 3.27Å; K78-W86 PolarHBondContact NZ-O 3.12Å; F80-W86 HydrophobicContact CE2-CZ2 4.03Å; F80-W86 AromaticContact CZ-CD2 3.92Å; F80-W86 HydrophobicContact CZ-CD2 3.92Å; F80-W86 AromaticContact CZ-CE2 3.52Å; F80-W86 HydrophobicContact CZ-CG 4.22Å; F80-W86 HydrophobicContact CZ-CH2 4.49Å; F80-W86 AromaticContact CZ-CZ2 3.85Å; F80-W86 HydrophobicContact CZ-CZ2 3.85Å; F80-W86 AromaticContact CZ-NE1 3.57Å; W84-W86 HydrophobicContact CB-CH2 3.97Å; W84-W86 HydrophobicContact CB-CZ3 3.89Å; W84-W86 HydrophobicContact CG-CH2 4.49Å; W86-E88 VanDerWaalsContact C-N 3.27Å; W86-E88 HydrophobicContact CB-CB 4.27Å; W86-L216 HydrophobicContact CZ3-CD1 4.31Å
87N91.7Very high88Confident93 Ų9366.4 Ų66.450%0.49733%0.331SS..EExtended strand (participates in β ladder)trans5345.1-172.7-168.149.2000111.8K21 I22 N85K21-N87 WeakPolarHBondContact CE-OD1 3.46Å; K21-N87 PolarHBondContact NZ-OD1 3.11Å; I22-N87 VanDerWaalsContact O-CA 3.28Å; I22-N87 WeakPolarHBondContact O-CA 3.43Å; I22-N87 PolarHBondContact O-N 3.43Å; N85-N87 WeakPolarHBondContact OD1-CB 3.38Å; N85-N87 PolarHBondContact OD1-N 2.87Å
88E93.8Very high88.2Confident43 Ų4362.8 Ų62.820%0.20132%0.323CS..EExtended strand (participates in β ladder)trans-118.8131.9-171-177.4178.6-176.800111K21 I22 T75 S76 W86 L90K21-E88 CarbonylContact C-O 3.5Å; K21-E88 VanDerWaalsContact CA-O 3.27Å; K21-E88 WeakPolarHBondContact CA-O 3.34Å; I22-E88 PolarHBondContact N-O 2.82Å; I22-E88 PolarHBondContact O-N 3.23Å; I22-E88 VanDerWaalsContact O-N 3.07Å; T75-E88 WeakPolarHBondContact CA-OE2 3.42Å; T75-E88 VanDerWaalsContact CB-OE2 3.26Å; T75-E88 WeakPolarHBondContact CB-OE2 3.42Å; S76-E88 WeakPolarHBondContact CB-OE1 3.38Å; S76-E88 VanDerWaalsContact N-CD 3.34Å; S76-E88 PolarHBondContact N-OE1 2.88Å; S76-E88 PolarHBondContact N-OE2 3.04Å; S76-E88 PolarHBondContact OG-OE1 3.43Å; W86-E88 VanDerWaalsContact C-N 3.27Å; W86-E88 HydrophobicContact CB-CB 4.27Å; E88-L90 HydrophobicContact CG-CD2 4.09Å
89W94.3Very high88.5Confident108 Ų10858.7 Ų58.741%0.40931%0.306SS..EExtended strand (participates in β ladder)trans-85.4115.9171.2-77.698.7000110.4Q19 K21 E219 P221Q19-W89 HydrophobicContact CB-CE3 3.9Å; Q19-W89 HydrophobicContact CB-CZ3 4.24Å; K21-W89 HydrophobicContact CB-CD2 3.58Å; K21-W89 HydrophobicContact CB-CE3 3.66Å; K21-W89 HydrophobicContact CB-CG 4.15Å; K21-W89 HydrophobicContact CB-CH2 3.93Å; K21-W89 HydrophobicContact CB-CZ2 3.87Å; K21-W89 HydrophobicContact CB-CZ3 3.85Å; K21-W89 HydrophobicContact CD-CD2 4.32Å; K21-W89 HydrophobicContact CD-CZ2 3.91Å; K21-W89 HydrophobicContact CG-CD2 3.92Å; K21-W89 HydrophobicContact CG-CE3 4.5Å; K21-W89 HydrophobicContact CG-CG 4.04Å; K21-W89 HydrophobicContact CG-CZ2 4.32Å; W89-E219 HydrophobicContact CH2-CG 4.19Å; W89-E219 HydrophobicContact CZ2-CG 4.37Å; W89-P221 HydrophobicContact CH2-CB 4.07Å; W89-P221 HydrophobicContact CZ3-CB 4Å; W89-P221 HydrophobicContact CZ3-CG 4.47Å
90L93.8Very high89Confident5 Ų557.2 Ų57.23%0.02629%0.29CS..EExtended strand (participates in β ladder)trans-91.3124.3172.4-58.8-174.9000109.9Q19 L20 I22 C60 V73 T75 E88Q19-L90 CarbonylContact C-O 3.59Å; Q19-L90 VanDerWaalsContact CA-O 3.25Å; Q19-L90 WeakPolarHBondContact CA-O 3.36Å; L20-L90 PolarHBondContact N-O 3.24Å; L20-L90 PolarHBondContact O-N 2.92Å; I22-L90 HydrophobicContact CD1-CD1 4.17Å; I22-L90 HydrophobicContact CG1-CD1 3.56Å; I22-L90 HydrophobicContact CG1-CG 3.94Å; C60-L90 HydrophobicContact CB-CD1 4.06Å; V73-L90 HydrophobicContact CG1-CB 4.25Å; V73-L90 HydrophobicContact CG1-CD2 4.29Å; T75-L90 HydrophobicContact CG2-CD1 4.03Å; T75-L90 HydrophobicContact CG2-CD2 4.2Å; T75-L90 HydrophobicContact CG2-CG 4.47Å; E88-L90 HydrophobicContact CG-CD2 4.09Å
91K93.8Very high89.2Confident126 Ų12661.3 Ų61.355%0.54831%0.31SS..EExtended strand (participates in β ladder)trans-89113.1171.3-173.9-178.4-179.9-176.60108.8N17 Q19N17-K91 HydrophobicContact CB-CD 4.23Å; N17-K91 VanDerWaalsContact CB-CE 3.42Å; N17-K91 HydrophobicContact CB-CG 3.73Å; N17-K91 VanDerWaalsContact OD1-CE 3.25Å; N17-K91 WeakPolarHBondContact OD1-CE 3.41Å; Q19-K91 HydrophobicContact CG-CB 4.4Å; Q19-K91 HydrophobicContact CG-CG 4.37Å
92L92.4Very high89.8Confident2 Ų258.9 Ų58.91%0.0129%0.293CS..EExtended strand (participates in β ladder)trans-81.1144.2-179.6-54.2-179.1000110.3N17 V18 L20 C60 V62 V73 V94N17-L92 WeakPolarHBondContact CB-O 3.49Å; N17-L92 PolarHBondContact ND2-O 3.29Å; V18-L92 HydrophobicContact CB-CB 4.41Å; V18-L92 HydrophobicContact CB-CD1 4.38Å; V18-L92 HydrophobicContact CG1-CD1 4.03Å; V18-L92 WeakPolarHBondContact O-CB 3.48Å; V18-L92 PolarHBondContact O-N 3.17Å; L20-L92 HydrophobicContact CD1-CD1 3.89Å; L20-L92 HydrophobicContact CG-CD1 4.15Å; C60-L92 HydrophobicContact CB-CD2 4.18Å; V62-L92 HydrophobicContact CG2-CD1 3.63Å; V73-L92 HydrophobicContact CB-CD2 4.18Å; V73-L92 HydrophobicContact CG2-CD2 4.07Å; L92-V94 HydrophobicContact CB-CG1 4.05Å; L92-V94 PolarHBondContact O-N 2.92Å
93P90.8Very high90.6Very high70 Ų7053.3 Ų53.346%0.45526%0.258SS..EExtended strand (participates in β ladder)trans-78.743.3179.529.2-30.1000112.1A70 L71 V73A70-P93 HydrophobicContact CB-CG 3.82Å; L71-P93 HydrophobicContact CB-CG 4.45Å; V73-P93 HydrophobicContact CG2-CG 4.2Å
94V90.5Very high91.2Very high10 Ų1046.1 Ų46.16%0.06123%0.232CC..EExtended strand (participates in β ladder)trans-141.5140.7175.164.50000108.8N17 V18 V62 A70 L92 D98 L99N17-V94 WeakPolarHBondContact CA-O 3.3Å; V18-V94 HydrophobicContact CB-CG1 4.22Å; V18-V94 HydrophobicContact CG2-CG1 4.03Å; V18-V94 PolarHBondContact N-O 3.13Å; V62-V94 HydrophobicContact CB-CG1 4.47Å; V62-V94 HydrophobicContact CG2-CG1 3.97Å; A70-V94 HydrophobicContact CB-CB 4.29Å; L92-V94 HydrophobicContact CB-CG1 4.05Å; L92-V94 PolarHBondContact O-N 2.92Å; V94-D98 HydrophobicContact CG2-CB 4.04Å; V94-L99 HydrophobicContact CG1-CD2 4.01Å; V94-L99 HydrophobicContact CG2-CD2 3.74Å; V94-L99 HydrophobicContact CG2-CG 4.33Å
95K92.3Very high91.5Very high73 Ų7344.5 Ų44.532%0.31723%0.226SC..EExtended strand (participates in β ladder)trans-95.3160.5177.1-58.2177169.6-171.30110.9D15 I16 D98D15-K95 VanDerWaalsContact OD1-CD 3.26Å; D15-K95 WeakPolarHBondContact OD1-CD 3.47Å; D15-K95 WeakPolarHBondContact OD1-CE 3.35Å; D15-K95 IonicContact OD1-NZ 2.64Å; D15-K95 PolarHBondContact OD1-NZ 3.44Å; D15-K95 IonicContact OD2-NZ 3.75Å; I16-K95 WeakPolarHBondContact O-CA 3.37Å; K95-D98 WeakPolarHBondContact CB-OD2 3.37Å; K95-D98 PolarHBondContact O-N 3.35Å
96Y90.9Very high91.8Very high6 Ų642.8 Ų42.82%0.02422%0.217CC..G310 helixtrans-57.8-35.7176.1-72.4-83000115S11 L14 I16 V18 D98 L99 F135 P221 I233S11-Y96 CarbonylContact O-C 3.46Å; L14-Y96 HydrophobicContact CB-CD2 4.19Å; L14-Y96 HydrophobicContact CB-CG 4.23Å; L14-Y96 HydrophobicContact CD1-CG 4.43Å; I16-Y96 HydrophobicContact CD1-CD2 4.32Å; I16-Y96 HydrophobicContact CD1-CE2 4.03Å; I16-Y96 HydrophobicContact CG1-CD2 3.65Å; I16-Y96 HydrophobicContact CG1-CE2 3.76Å; I16-Y96 VanDerWaalsContact O-CD2 3.31Å; I16-Y96 WeakPolarHBondContact O-CD2 3.4Å; I16-Y96 PolarHBondContact O-N 2.98Å; V18-Y96 HydrophobicContact CG2-CD1 4.13Å; V18-Y96 HydrophobicContact CG2-CD2 4.34Å; V18-Y96 HydrophobicContact CG2-CE1 4.18Å; V18-Y96 HydrophobicContact CG2-CE2 4.38Å; V18-Y96 HydrophobicContact CG2-CG 4.22Å; Y96-D98 VanDerWaalsContact C-N 3.27Å; Y96-D98 PolarHBondContact O-N 3.48Å; Y96-L99 HydrophobicContact CD1-CD1 4.46Å; Y96-L99 PolarHBondContact O-N 3.02Å; Y96-F135 HydrophobicContact CD1-CE2 4.44Å; Y96-F135 HydrophobicContact CE1-CD1 4.2Å; Y96-F135 HydrophobicContact CE1-CD2 4.19Å; Y96-F135 AromaticContact CE1-CE1 3.93Å; Y96-F135 HydrophobicContact CE1-CE1 3.93Å; Y96-F135 AromaticContact CE1-CE2 3.89Å; Y96-F135 HydrophobicContact CE1-CE2 3.89Å; Y96-F135 HydrophobicContact CE1-CG 4.34Å; Y96-F135 AromaticContact CE1-CZ 3.78Å; Y96-F135 HydrophobicContact CE1-CZ 3.78Å; Y96-P221 WeakPolarHBondContact OH-CG 3.42Å; Y96-I233 HydrophobicContact CD1-CD1 3.97Å; Y96-I233 HydrophobicContact CD1-CG2 4.4Å; Y96-I233 HydrophobicContact CE1-CD1 3.45Å; Y96-I233 VanDerWaalsContact CE1-CD1 3.45Å
97P89.6Confident91.9Very high49 Ų4942.3 Ų42.332%0.31822%0.215SC..G310 helixtrans-68.6-26.5178.4-2337.1000113.1S11 L14 L99S11-P97 WeakPolarHBondContact O-CA 3.01Å; S11-P97 WeakPolarHBondContact O-CG 3.46Å; L14-P97 VanDerWaalsContact O-CD 3.23Å; L14-P97 WeakPolarHBondContact O-CD 3.41Å; P97-L99 VanDerWaalsContact C-N 3.32Å
98D88.3Confident92.1Very high102 Ų10238.2 Ų38.255%0.54519%0.194SC..G310 helixtrans-86.2-3.9-176.7-52.2-39.4000112.7V94 K95 Y96 P100V94-D98 HydrophobicContact CG2-CB 4.04Å; K95-D98 WeakPolarHBondContact CB-OD2 3.37Å; K95-D98 PolarHBondContact O-N 3.35Å; Y96-D98 VanDerWaalsContact C-N 3.27Å; Y96-D98 PolarHBondContact O-N 3.48Å; D98-P100 VanDerWaalsContact O-CD 3.31Å; D98-P100 WeakPolarHBondContact O-CD 3.32Å
99L89.6Confident92.1Very high3 Ų336.2 Ų36.22%0.01619%0.185CC..  trans-85.4116.5-178.5-71.1-178000111.1V18 V62 V94 Y96 P97 A103 L128 F129 F135 Y235V18-L99 HydrophobicContact CG2-CD1 3.56Å; V18-L99 HydrophobicContact CG2-CD2 4.5Å; V18-L99 HydrophobicContact CG2-CG 4.09Å; V62-L99 HydrophobicContact CG1-CD2 3.94Å; V94-L99 HydrophobicContact CG1-CD2 4.01Å; V94-L99 HydrophobicContact CG2-CD2 3.74Å; V94-L99 HydrophobicContact CG2-CG 4.33Å; Y96-L99 HydrophobicContact CD1-CD1 4.46Å; Y96-L99 PolarHBondContact O-N 3.02Å; P97-L99 VanDerWaalsContact C-N 3.32Å; L99-A103 HydrophobicContact CB-CB 4.41Å; L99-A103 HydrophobicContact CD2-CB 4.07Å; L99-L128 HydrophobicContact CD1-CD1 3.79Å; L99-L128 HydrophobicContact CD2-CD1 3.79Å; L99-L128 HydrophobicContact CG-CD1 4.45Å; L99-F129 HydrophobicContact CB-CE2 3.83Å; L99-F129 HydrophobicContact CB-CZ 4.15Å; L99-F129 HydrophobicContact CD1-CE2 4.23Å; L99-F129 HydrophobicContact CD1-CZ 4.27Å; L99-F135 HydrophobicContact CD1-CE2 4.12Å; L99-Y235 WeakPolarHBondContact O-CE2 3.35Å
100P89.7Confident91.9Very high38 Ų3832.7 Ų32.725%0.24717%0.171CC..  trans-69.2161.2169.529.9-35.2000111.3A64 L69 D98 S102 A103 F129A64-P100 HydrophobicContact CB-CG 3.46Å; A64-P100 VanDerWaalsContact CB-CG 3.46Å; L69-P100 HydrophobicContact CD1-CG 3.97Å; D98-P100 VanDerWaalsContact O-CD 3.31Å; D98-P100 WeakPolarHBondContact O-CD 3.32Å; P100-S102 PolarHBondContact O-N 2.92Å; P100-A103 HydrophobicContact CG-CB 4.18Å; P100-A103 WeakPolarHBondContact O-CB 3.38Å; P100-A103 PolarHBondContact O-N 2.96Å; P100-F129 WeakPolarHBondContact O-CE2 3.41Å
101Q87.4Confident91.6Very high99 Ų9932.6 Ų32.646%0.46317%0.171SC..THydrogen-bonded Turntrans-58.7-33.5177.9-168.3179.67.900113A103 Y235Q101-A103 PolarHBondContact O-N 3.38Å; Q101-Y235 HydrophobicContact CB-CD1 3.87Å; Q101-Y235 HydrophobicContact CB-CD2 4.37Å; Q101-Y235 HydrophobicContact CB-CE1 3.73Å; Q101-Y235 HydrophobicContact CB-CE2 4.27Å; Q101-Y235 HydrophobicContact CB-CG 4.17Å; Q101-Y235 HydrophobicContact CG-CD1 4.14Å; Q101-Y235 HydrophobicContact CG-CE1 4.43Å; Q101-Y235 HydrophobicContact CG-CG 4.44Å
102S88.5Confident90.7Very high37 Ų3730.1 Ų30.126%0.25917%0.166SC..THydrogen-bonded Turntrans-74.8-2.7178560000113.7P100 Q104P100-S102 PolarHBondContact O-N 2.92Å; S102-Q104 VanDerWaalsContact O-CG 3.22Å; S102-Q104 WeakPolarHBondContact O-CG 3.42Å; S102-Q104 PolarHBondContact O-N 3.45Å
103A92.2Very high89.4Confident0 Ų030.9 Ų30.90%017%0.169CC..  trans-58.5132.9-174.300000112.5F63 L99 P100 Q101 L128F63-A103 CarbonylContact O-C 3.59Å; F63-A103 WeakPolarHBondContact O-CA 3.37Å; L99-A103 HydrophobicContact CB-CB 4.41Å; L99-A103 HydrophobicContact CD2-CB 4.07Å; P100-A103 HydrophobicContact CG-CB 4.18Å; P100-A103 WeakPolarHBondContact O-CB 3.38Å; P100-A103 PolarHBondContact O-N 2.96Å; Q101-A103 PolarHBondContact O-N 3.38Å; A103-L128 HydrophobicContact CB-CB 4.45Å; A103-L128 HydrophobicContact CB-CD1 4.01Å; A103-L128 WeakPolarHBondContact O-CB 3.45Å; A103-L128 PolarHBondContact O-N 3.44Å
104Q93.9Very high88.1Confident20 Ų2028.5 Ų28.59%0.09316%0.157CC..EExtended strand (participates in β ladder)trans-126.6156.5177.2-41.7-169.410.800109.7V62 F63 S102 T125 V126 T127 E154V62-Q104 CarbonylContact C-O 3.33Å; V62-Q104 WeakPolarHBondContact CA-O 3.32Å; V62-Q104 WeakPolarHBondContact CG1-O 3.39Å; F63-Q104 PolarHBondContact N-O 2.88Å; F63-Q104 PolarHBondContact O-N 3.16Å; S102-Q104 VanDerWaalsContact O-CG 3.22Å; S102-Q104 WeakPolarHBondContact O-CG 3.42Å; S102-Q104 PolarHBondContact O-N 3.45Å; Q104-T125 HydrophobicContact CB-CG2 4.08Å; Q104-V126 CarbonylContact C-O 3.58Å; Q104-V126 WeakPolarHBondContact CA-O 3.33Å; Q104-T127 HydrophobicContact CG-CG2 4.13Å; Q104-E154 PolarHBondContact NE2-OE1 2.76Å
105V94.9Very high86.6Confident0 Ų034.3 Ų34.30%020%0.195CC..EExtended strand (participates in β ladder)trans-119.8123.5174.163.40000109.4L20 C60 Q61 L107 T125 V126 L128L20-V105 HydrophobicContact CD1-CB 4.37Å; L20-V105 HydrophobicContact CD1-CG1 4.05Å; L20-V105 HydrophobicContact CD1-CG2 3.85Å; C60-V105 WeakPolarHBondContact SG-CG2 3.13Å; Q61-V105 WeakPolarHBondContact O-CA 3.42Å; V105-L107 HydrophobicContact CG1-CD1 4.15Å; V105-L107 HydrophobicContact CG2-CD1 4.25Å; V105-T125 WeakPolarHBondContact O-CA 3.35Å; V105-V126 HydrophobicContact CG1-CG1 3.55Å; V105-V126 PolarHBondContact N-O 2.64Å; V105-V126 PolarHBondContact O-N 3.48Å; V105-L128 HydrophobicContact CB-CD2 3.9Å; V105-L128 HydrophobicContact CB-CG 4.38Å; V105-L128 HydrophobicContact CG1-CD2 3.64Å; V105-L128 HydrophobicContact CG1-CG 4.44Å
106A96.1Very high85.2Confident4 Ų435.4 Ų35.43%0.03323%0.227CC..EExtended strand (participates in β ladder)trans-98.2128.8173.600000109C60 Q61 F63C60-A106 WeakPolarHBondContact CA-O 3.21Å; Q61-A106 PolarHBondContact N-O 3.31Å; Q61-A106 PolarHBondContact O-N 3.27Å; F63-A106 HydrophobicContact CD2-CB 3.93Å; F63-A106 HydrophobicContact CE2-CB 3.75Å
107L96.4Very high84.4Confident0 Ų042.2 Ų42.20%025%0.253CS..EExtended strand (participates in β ladder)trans-117.7132176.1-56.897.2000109.7I22 V58 T59 C60 V105 G123 T124 L142 L216 V218I22-L107 HydrophobicContact CD1-CD2 3.48Å; I22-L107 VanDerWaalsContact CD1-CD2 3.48Å; V58-L107 HydrophobicContact CG1-CB 4.2Å; V58-L107 HydrophobicContact CG1-CD2 4.22Å; T59-L107 CarbonylContact O-C 3.51Å; T59-L107 WeakPolarHBondContact O-CA 3.4Å; C60-L107 HydrophobicContact CB-CD2 4.42Å; C60-L107 HydrophobicContact CB-CG 4.48Å; V105-L107 HydrophobicContact CG1-CD1 4.15Å; V105-L107 HydrophobicContact CG2-CD1 4.25Å; L107-G123 CarbonylContact O-C 3.51Å; L107-G123 WeakPolarHBondContact O-CA 3.5Å; L107-T124 HydrophobicContact CB-CG2 3.93Å; L107-T124 HydrophobicContact CD1-CG2 4.32Å; L107-T124 PolarHBondContact N-O 3.07Å; L107-T124 PolarHBondContact O-N 2.84Å; L107-L142 HydrophobicContact CD1-CD1 4.15Å; L107-L216 HydrophobicContact CB-CD2 4.18Å; L107-L216 HydrophobicContact CD2-CD2 4.03Å; L107-V218 HydrophobicContact CD2-CG2 3.94Å
108T95.6Very high84Confident8 Ų841.6 Ų41.65%0.04925%0.252CS..EExtended strand (participates in β ladder)trans-123.3128.2176.9-54.70000109.6V58 T59 W110 P120 E149 G150V58-T108 CarbonylContact C-O 3.5Å; V58-T108 WeakPolarHBondContact CA-O 3.42Å; T59-T108 PolarHBondContact N-O 3.37Å; T59-T108 PolarHBondContact O-N 3.5Å; T59-T108 PolarHBondContact OG1-O 3.41Å; T108-W110 HydrophobicContact CG2-CD2 4.16Å; T108-W110 HydrophobicContact CG2-CG 4.47Å; T108-W110 HydrophobicContact CG2-CZ2 3.8Å; T108-W110 VanDerWaalsContact O-CD1 3.3Å; T108-P120 HydrophobicContact CG2-CB 4.15Å; T108-E149 HydrophobicContact CG2-CB 4.23Å; T108-E149 HydrophobicContact CG2-CG 4.1Å; T108-G150 PolarHBondContact OG1-N 2.83Å
109V93.5Very high83.8Confident1 Ų138.6 Ų38.61%0.00624%0.237CC..EExtended strand (participates in β ladder)trans-90.6127173-173.80000108.5L25 L56 V58 V121 G122 L216L25-V109 HydrophobicContact CD1-CG2 4.46Å; L25-V109 HydrophobicContact CD2-CG1 3.99Å; L56-V109 HydrophobicContact CB-CG1 4.25Å; L56-V109 HydrophobicContact CD1-CG1 3.95Å; V58-V109 HydrophobicContact CG2-CG2 4.22Å; V109-V121 HydrophobicContact CB-CB 4.18Å; V109-V121 HydrophobicContact CG1-CB 4.06Å; V109-V121 HydrophobicContact CG1-CG1 4.42Å; V109-V121 HydrophobicContact CG1-CG2 4.43Å; V109-V121 WeakPolarHBondContact O-CB 3.47Å; V109-V121 PolarHBondContact O-N 2.69Å; V109-G122 PolarHBondContact N-O 3.29Å; V109-G122 PolarHBondContact O-N 3.33Å; V109-L216 HydrophobicContact CG2-CD2 4.5Å
110W90.6Very high83.8Confident33 Ų3340.3 Ų40.313%0.12525%0.248CC..EExtended strand (participates in β ladder)trans-115.3140.7-175.6-65.893.2000111.8L56 Y57 T59 T108 A118 P120 E149L56-W110 WeakPolarHBondContact CA-O 3.32Å; L56-W110 WeakPolarHBondContact CD2-O 3.4Å; Y57-W110 HydrophobicContact CD1-CB 3.89Å; Y57-W110 HydrophobicContact CD2-CB 4.08Å; Y57-W110 AromaticContact CD2-CD1 3.99Å; Y57-W110 HydrophobicContact CD2-CG 4.31Å; Y57-W110 HydrophobicContact CE1-CB 3.44Å; Y57-W110 VanDerWaalsContact CE1-CB 3.44Å; Y57-W110 HydrophobicContact CE1-CG 4.23Å; Y57-W110 HydrophobicContact CE2-CB 3.64Å; Y57-W110 AromaticContact CE2-CD1 3.45Å; Y57-W110 VanDerWaalsContact CE2-CD1 3.45Å; Y57-W110 AromaticContact CE2-CG 3.61Å; Y57-W110 HydrophobicContact CE2-CG 3.61Å; Y57-W110 HydrophobicContact CG-CB 4.19Å; Y57-W110 AromaticContact CZ-CD1 3.91Å; Y57-W110 AromaticContact CZ-CG 3.56Å; Y57-W110 PolarHBondContact N-O 3.12Å; Y57-W110 VanDerWaalsContact N-O 3.16Å; Y57-W110 PolarHBondContact O-N 3.42Å; T59-W110 PolarHBondContact OG1-NE1 3.04Å; T108-W110 HydrophobicContact CG2-CD2 4.16Å; T108-W110 HydrophobicContact CG2-CG 4.47Å; T108-W110 HydrophobicContact CG2-CZ2 3.8Å; T108-W110 VanDerWaalsContact O-CD1 3.3Å; W110-A118 HydrophobicContact CD2-CB 4.33Å; W110-A118 HydrophobicContact CE3-CB 3.65Å; W110-A118 HydrophobicContact CZ3-CB 4.25Å; W110-P120 HydrophobicContact CE3-CB 4.41Å; W110-P120 HydrophobicContact CZ3-CB 4.23Å; W110-P120 HydrophobicContact CZ3-CG 4.44Å; W110-E149 VanDerWaalsContact CH2-CD 3.48Å; W110-E149 HydrophobicContact CH2-CG 4.02Å; W110-E149 VanDerWaalsContact CH2-OE1 3.27Å; W110-E149 WeakPolarHBondContact CH2-OE1 3.31Å; W110-E149 HydrophobicContact CZ2-CG 4.19Å
111D85.8Confident83.7Confident3 Ų339 Ų392%0.01624%0.24CC..EExtended strand (participates in β ladder)trans-103.4136.8167.9-170.76.6000109.7R29 S46 L56 Y113 A118 T119 V121R29-D111 IonicContact CZ-OD2 3.18Å; R29-D111 VanDerWaalsContact CZ-OD2 3.27Å; R29-D111 IonicContact NH1-OD2 3.98Å; R29-D111 PolarHBondContact NH1-OD2 3.46Å; R29-D111 IonicContact NH2-OD2 3.86Å; R29-D111 PolarHBondContact NH2-OD2 3.46Å; S46-D111 PolarHBondContact OG-OD2 2.98Å; L56-D111 HydrophobicContact CD2-CB 3.86Å; D111-Y113 PolarHBondContact O-N 2.91Å; D111-A118 WeakPolarHBondContact O-CA 3.45Å; D111-T119 PolarHBondContact N-O 3.16Å; D111-T119 PolarHBondContact O-N 2.99Å; D111-V121 HydrophobicContact CB-CG2 3.63Å
112V75.6Confident83.9Confident75 Ų7534.3 Ų34.346%0.45522%0.218SC..EExtended strand (participates in β ladder)trans-84.691.4179.1-173.80000108.3Y57 G114Y57-V112 HydrophobicContact CD1-CG2 4.04Å; Y57-V112 HydrophobicContact CE1-CG2 3.99Å; V112-G114 VanDerWaalsContact C-N 3.34Å; V112-G114 PolarHBondContact O-N 3Å
113Y64.9Low84.1Confident17 Ų1732.5 Ų32.57%0.06721%0.205CC..EExtended strand (participates in β ladder)trans-78.2-17.1-172.7-169-106.2000113.8D40 M42 L43 D111 R117 T119D40-Y113 PolarHBondContact OD1-OH 3.13Å; D40-Y113 PolarHBondContact OD2-OH 3.39Å; M42-Y113 HydrophobicContact CB-CE1 4.11Å; L43-Y113 HydrophobicContact CD2-CE2 3.77Å; L43-Y113 HydrophobicContact CG-CE2 4.18Å; L43-Y113 VanDerWaalsContact CG-OH 3.3Å; L43-Y113 WeakPolarHBondContact CG-OH 3.26Å; L43-Y113 PolarHBondContact N-OH 3.38Å; D111-Y113 PolarHBondContact O-N 2.91Å; Y113-R117 WeakPolarHBondContact CB-O 3.42Å; Y113-R117 HydrophobicContact CD1-CG 4.5Å; Y113-R117 PolarHBondContact N-O 3.19Å; Y113-R117 VanDerWaalsContact N-O 3.09Å; Y113-T119 HydrophobicContact CD1-CG2 4.47Å; Y113-T119 HydrophobicContact CD2-CG2 4.45Å; Y113-T119 HydrophobicContact CG-CG2 4.03Å
114G63.7Low84.3Confident20 Ų2032.6 Ų32.621%0.20621%0.206CC..EExtended strand (participates in β ladder)trans168.1-178.1178.300000112.2V112 G116 R117V112-G114 VanDerWaalsContact C-N 3.34Å; V112-G114 PolarHBondContact O-N 3Å; G114-G116 PolarHBondContact O-N 3.29Å; G114-G116 VanDerWaalsContact O-N 3.09Å; G114-R117 PolarHBondContact N-O 3.44Å; G114-R117 PolarHBondContact O-N 3.14Å
115P58.4Low84.3Confident133 Ų13331.8 Ų31.886%0.86420%0.202SC*.THydrogen-bonded Turntrans-59.9116.1178.222.6-30.4000110.7R117P115-R117 VanDerWaalsContact C-N 3.32Å; P115-R117 PolarHBondContact O-N 3.12Å
116G64.5Low84.2Confident95 Ų9532 Ų3298%0.97920%0.204SC*.THydrogen-bonded Turntrans77.15177.600000116.1G114G114-G116 PolarHBondContact O-N 3.29Å; G114-G116 VanDerWaalsContact O-N 3.09Å
117R72.5Confident84.1Confident149 Ų14934 Ų3456%0.56222%0.215SC*.EExtended strand (participates in β ladder)trans-127.8113.3-177.8-169.7173.1179-169.2-0.1111.5Y113 G114 P115Y113-R117 WeakPolarHBondContact CB-O 3.42Å; Y113-R117 HydrophobicContact CD1-CG 4.5Å; Y113-R117 PolarHBondContact N-O 3.19Å; Y113-R117 VanDerWaalsContact N-O 3.09Å; G114-R117 PolarHBondContact N-O 3.44Å; G114-R117 PolarHBondContact O-N 3.14Å; P115-R117 VanDerWaalsContact C-N 3.32Å; P115-R117 PolarHBondContact O-N 3.12Å
118A80.9Confident83.9Confident36 Ų3634 Ų3430%0.29822%0.215SC..EExtended strand (participates in β ladder)trans-105.3143.9171.800000110.2Y57 W110 D111Y57-A118 HydrophobicContact CE1-CB 4.38Å; Y57-A118 WeakPolarHBondContact OH-CB 3.46Å; W110-A118 HydrophobicContact CD2-CB 4.33Å; W110-A118 HydrophobicContact CE3-CB 3.65Å; W110-A118 HydrophobicContact CZ3-CB 4.25Å; D111-A118 WeakPolarHBondContact O-CA 3.45Å
119T84.5Confident83.7Confident39 Ų3933.9 Ų33.924%0.23921%0.214CC..EExtended strand (participates in β ladder)trans-120.6136.5176.153.30000110.3D111 Y113 V121D111-T119 PolarHBondContact N-O 3.16Å; D111-T119 PolarHBondContact O-N 2.99Å; Y113-T119 HydrophobicContact CD1-CG2 4.47Å; Y113-T119 HydrophobicContact CD2-CG2 4.45Å; Y113-T119 HydrophobicContact CG-CG2 4.03Å; T119-V121 PolarHBondContact O-N 3.01Å
120P89.4Confident83.2Confident39 Ų3935 Ų3525%0.25323%0.225SC..EExtended strand (participates in β ladder)trans-69.2123.7179.728.2-33.1000109.9T108 W110 E149T108-P120 HydrophobicContact CG2-CB 4.15Å; W110-P120 HydrophobicContact CE3-CB 4.41Å; W110-P120 HydrophobicContact CZ3-CB 4.23Å; W110-P120 HydrophobicContact CZ3-CG 4.44Å; P120-E149 HydrophobicContact CB-CG 3.9Å; P120-E149 HydrophobicContact CG-CG 4.13Å
121V88.4Confident82.7Confident11 Ų1142.4 Ų42.47%0.06726%0.258CS..EExtended strand (participates in β ladder)trans-75.1-40167.8175.80000109.2L56 V109 D111 T119 G147 M214L56-V121 HydrophobicContact CD2-CG2 3.9Å; V109-V121 HydrophobicContact CB-CB 4.18Å; V109-V121 HydrophobicContact CG1-CB 4.06Å; V109-V121 HydrophobicContact CG1-CG1 4.42Å; V109-V121 HydrophobicContact CG1-CG2 4.43Å; V109-V121 WeakPolarHBondContact O-CB 3.47Å; V109-V121 PolarHBondContact O-N 2.69Å; D111-V121 HydrophobicContact CB-CG2 3.63Å; T119-V121 PolarHBondContact O-N 3.01Å; V121-G147 PolarHBondContact O-N 2.97Å; V121-M214 HydrophobicContact CG1-CE 3.61Å; V121-M214 HydrophobicContact CG1-SD 4.06Å
122G91.1Very high82.4Confident0 Ų051.9 Ų51.90%030%0.296CS..EExtended strand (participates in β ladder)trans171.6166.6173.200000113.7V109 V144 W145 V148V109-G122 PolarHBondContact N-O 3.29Å; V109-G122 PolarHBondContact O-N 3.33Å; G122-V144 VanDerWaalsContact C-CG1 3.44Å; G122-W145 CarbonylContact C-O 3.54Å; G122-W145 WeakPolarHBondContact CA-O 3.49Å; G122-V148 CarbonylContact C-O 3.59Å; G122-V148 VanDerWaalsContact CA-O 3.29Å; G122-V148 WeakPolarHBondContact CA-O 3.42Å
123G94.3Very high82.8Confident0 Ų048.6 Ų48.60%028%0.276CS..EExtended strand (participates in β ladder)trans-125.4150.4-171.900000112.7L107 W145 V148L107-G123 CarbonylContact O-C 3.51Å; L107-G123 WeakPolarHBondContact O-CA 3.5Å; G123-W145 PolarHBondContact N-O 3.11Å; G123-W145 PolarHBondContact O-N 3.39Å; G123-V148 WeakPolarHBondContact CA-O 3.34Å; G123-V148 PolarHBondContact N-O 2.94Å
124T94.8Very high83.9Confident1 Ų151.1 Ų51.11%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-147.2138.4174176.80000110.9L107 L142 K143 V144 T158 G160 L216L107-T124 HydrophobicContact CB-CG2 3.93Å; L107-T124 HydrophobicContact CD1-CG2 4.32Å; L107-T124 PolarHBondContact N-O 3.07Å; L107-T124 PolarHBondContact O-N 2.84Å; T124-L142 HydrophobicContact CG2-CB 4.17Å; T124-L142 HydrophobicContact CG2-CD1 4.37Å; T124-K143 VanDerWaalsContact CB-O 3.31Å; T124-K143 WeakPolarHBondContact CB-O 3.31Å; T124-K143 PolarHBondContact OG1-O 3.12Å; T124-V144 HydrophobicContact CG2-CG2 4.22Å; T124-T158 CarbonylContact C-O 3.56Å; T124-G160 WeakPolarHBondContact OG1-CA 3.41Å; T124-L216 HydrophobicContact CG2-CD2 4.36Å
125T94.7Very high85.2Confident3 Ų350.4 Ų50.42%0.01828%0.281CS..EExtended strand (participates in β ladder)trans-124.7136.1178.5-61.20000111.1Q104 V105 D151 T156 T158 G160Q104-T125 HydrophobicContact CB-CG2 4.08Å; V105-T125 WeakPolarHBondContact O-CA 3.35Å; T125-D151 WeakPolarHBondContact CB-O 3.22Å; T125-D151 WeakPolarHBondContact CG2-O 3.47Å; T125-D151 PolarHBondContact OG1-O 3.49Å; T125-T156 HydrophobicContact CG2-CG2 4.42Å; T125-T158 PolarHBondContact N-O 2.83Å; T125-T158 PolarHBondContact OG1-OG1 2.78Å; T125-G160 PolarHBondContact O-N 2.96Å
126V93.4Very high86.6Confident6 Ų646.3 Ų46.34%0.03625%0.248CC..EExtended strand (participates in β ladder)trans-140.3140.2178.765.40000111.1Q104 V105 L142 R161 F220Q104-V126 CarbonylContact C-O 3.58Å; Q104-V126 WeakPolarHBondContact CA-O 3.33Å; V105-V126 HydrophobicContact CG1-CG1 3.55Å; V105-V126 PolarHBondContact N-O 2.64Å; V105-V126 PolarHBondContact O-N 3.48Å; V126-L142 HydrophobicContact CB-CD1 4.2Å; V126-L142 HydrophobicContact CB-CD2 4.11Å; V126-L142 HydrophobicContact CG1-CD1 3.69Å; V126-L142 HydrophobicContact CG1-CD2 4.32Å; V126-L142 HydrophobicContact CG2-CD2 4.09Å; V126-R161 HydrophobicContact CG2-CG 4.46Å; V126-F220 HydrophobicContact CG1-CZ 3.94Å
127T92.7Very high87.6Confident45 Ų4543.8 Ų43.828%0.27621%0.211SC..EExtended strand (participates in β ladder)trans-65.5143.1175.569.90000110.9Q104 F129 R136Q104-T127 HydrophobicContact CG-CG2 4.13Å; T127-F129 WeakPolarHBondContact CB-O 3.42Å; T127-F129 PolarHBondContact OG1-O 3.43Å; T127-R136 WeakPolarHBondContact O-CD 3.48Å; T127-R136 PolarHBondContact O-NE 2.98Å; T127-R136 PolarHBondContact OG1-NE 2.92Å; T127-R136 PolarHBondContact OG1-NH2 3.07Å
128L92Very high88.1Confident0 Ų036.9 Ų36.90%019%0.187CC..SBendtrans-77.6-36.5175.4-68.7-179.6000111.6V62 L99 A103 V105 F135 R136 F220V62-L128 HydrophobicContact CG1-CD1 3.95Å; L99-L128 HydrophobicContact CD1-CD1 3.79Å; L99-L128 HydrophobicContact CD2-CD1 3.79Å; L99-L128 HydrophobicContact CG-CD1 4.45Å; A103-L128 HydrophobicContact CB-CB 4.45Å; A103-L128 HydrophobicContact CB-CD1 4.01Å; A103-L128 WeakPolarHBondContact O-CB 3.45Å; A103-L128 PolarHBondContact O-N 3.44Å; V105-L128 HydrophobicContact CB-CD2 3.9Å; V105-L128 HydrophobicContact CB-CG 4.38Å; V105-L128 HydrophobicContact CG1-CD2 3.64Å; V105-L128 HydrophobicContact CG1-CG 4.44Å; L128-F135 HydrophobicContact CB-CD2 4.3Å; L128-F135 HydrophobicContact CB-CE2 3.91Å; L128-F135 HydrophobicContact CD2-CE2 4.23Å; L128-F135 HydrophobicContact CD2-CZ 4.45Å; L128-F135 HydrophobicContact CG-CE2 4.46Å; L128-R136 WeakPolarHBondContact O-CG 3.46Å; L128-R136 PolarHBondContact O-N 2.91Å; L128-F220 HydrophobicContact CD2-CE1 3.83Å
129F91.7Very high88.3Confident6 Ų640.1 Ų40.13%0.02620%0.197CC..BIsolated β-bridgetrans-102144.1174.1-60.5-79.9000111.7L99 P100 T127 G133 F135 Y235L99-F129 HydrophobicContact CB-CE2 3.83Å; L99-F129 HydrophobicContact CB-CZ 4.15Å; L99-F129 HydrophobicContact CD1-CE2 4.23Å; L99-F129 HydrophobicContact CD1-CZ 4.27Å; P100-F129 WeakPolarHBondContact O-CE2 3.41Å; T127-F129 WeakPolarHBondContact CB-O 3.42Å; T127-F129 PolarHBondContact OG1-O 3.43Å; F129-G133 WeakPolarHBondContact CD1-O 3.42Å; F129-F135 HydrophobicContact CD1-CB 4.05Å; F129-F135 HydrophobicContact CD1-CD2 4.25Å; F129-F135 HydrophobicContact CE1-CB 3.93Å; F129-F135 AromaticContact CE1-CD2 3.89Å; F129-F135 HydrophobicContact CE1-CD2 3.89Å; F129-F135 HydrophobicContact CE1-CG 4.41Å; F129-F135 HydrophobicContact CZ-CD2 4.14Å; F129-Y235 HydrophobicContact CE2-CD2 4.28Å; F129-Y235 HydrophobicContact CZ-CD2 4.17Å
130G83.8Confident88.4Confident23 Ų2340 Ų4024%0.23719%0.193CC..  trans-80.1176.9170.700000112.6Y132 G133 M134G130-Y132 PolarHBondContact O-N 3.49Å; G130-G133 PolarHBondContact O-N 3.41Å; G130-M134 PolarHBondContact N-O 3.24Å
131K78.8Confident88.2Confident189 Ų18940.6 Ų40.682%0.82220%0.195SC*.THydrogen-bonded Turntrans-53.1-28.6-179.7-173.3176.8-180179.90114.3
132Y81.1Confident88.3Confident203 Ų20340.1 Ų40.180%0.79619%0.191SC*.THydrogen-bonded Turntrans-10018.8-179.1-55.3-73.2000113.3G130 M134G130-Y132 PolarHBondContact O-N 3.49Å; Y132-M134 PolarHBondContact O-N 2.99Å
133G82.9Confident88.3Confident5 Ų541.4 Ų41.45%0.05220%0.197CC..SBendtrans72.67.2178.600000114.8F129 G130 Y235F129-G133 WeakPolarHBondContact CD1-O 3.42Å; G130-G133 PolarHBondContact O-N 3.41Å; G133-Y235 WeakPolarHBondContact O-CB 3.47Å; G133-Y235 PolarHBondContact O-N 3.17Å
134M87.6Confident88.2Confident71 Ų7141.4 Ų41.435%0.3520%0.197SC..BIsolated β-bridgetrans-83.2128.1176.4-167-178.9-55.300110.4F6 G130 Y132F6-M134 HydrophobicContact CE2-CE 4.03Å; F6-M134 HydrophobicContact CZ-CE 3.72Å; G130-M134 PolarHBondContact N-O 3.24Å; Y132-M134 PolarHBondContact O-N 2.99Å
135F90.7Very high88Confident4 Ų444.8 Ų44.82%0.01821%0.21CC..BIsolated β-bridgetrans-61.8141.5174.8-169.7-102000109.9V18 Y96 L99 L128 F129 F220 P221 I233V18-F135 HydrophobicContact CG1-CE2 4.49Å; V18-F135 HydrophobicContact CG1-CZ 4.05Å; Y96-F135 HydrophobicContact CD1-CE2 4.44Å; Y96-F135 HydrophobicContact CE1-CD1 4.2Å; Y96-F135 HydrophobicContact CE1-CD2 4.19Å; Y96-F135 AromaticContact CE1-CE1 3.93Å; Y96-F135 HydrophobicContact CE1-CE1 3.93Å; Y96-F135 AromaticContact CE1-CE2 3.89Å; Y96-F135 HydrophobicContact CE1-CE2 3.89Å; Y96-F135 HydrophobicContact CE1-CG 4.34Å; Y96-F135 AromaticContact CE1-CZ 3.78Å; Y96-F135 HydrophobicContact CE1-CZ 3.78Å; L99-F135 HydrophobicContact CD1-CE2 4.12Å; L128-F135 HydrophobicContact CB-CD2 4.3Å; L128-F135 HydrophobicContact CB-CE2 3.91Å; L128-F135 HydrophobicContact CD2-CE2 4.23Å; L128-F135 HydrophobicContact CD2-CZ 4.45Å; L128-F135 HydrophobicContact CG-CE2 4.46Å; F129-F135 HydrophobicContact CD1-CB 4.05Å; F129-F135 HydrophobicContact CD1-CD2 4.25Å; F129-F135 HydrophobicContact CE1-CB 3.93Å; F129-F135 AromaticContact CE1-CD2 3.89Å; F129-F135 HydrophobicContact CE1-CD2 3.89Å; F129-F135 HydrophobicContact CE1-CG 4.41Å; F129-F135 HydrophobicContact CZ-CD2 4.14Å; F135-F220 HydrophobicContact CE1-CD1 4.04Å; F135-F220 HydrophobicContact CZ-CD1 4.13Å; F135-P221 HydrophobicContact CE1-CG 4.14Å; F135-I233 HydrophobicContact CB-CB 3.72Å; F135-I233 HydrophobicContact CB-CG2 4.16Å; F135-I233 HydrophobicContact CD1-CD1 4.13Å; F135-I233 HydrophobicContact CG-CB 4.45Å; F135-I233 HydrophobicContact CG-CD1 4.46Å; F135-I233 PolarHBondContact N-O 3.26Å
136R88.2Confident87.7Confident48 Ų4848.3 Ų48.318%0.18123%0.233CC..PPolyproline II helixtrans-65.1144.2178.6-70.1-172.8-172.1-79.8-1.3110.7T127 L128 F220T127-R136 WeakPolarHBondContact O-CD 3.48Å; T127-R136 PolarHBondContact O-NE 2.98Å; T127-R136 PolarHBondContact OG1-NE 2.92Å; T127-R136 PolarHBondContact OG1-NH2 3.07Å; L128-R136 WeakPolarHBondContact O-CG 3.46Å; L128-R136 PolarHBondContact O-N 2.91Å; R136-F220 HydrophobicContact CB-CB 4.45Å; R136-F220 HydrophobicContact CB-CD1 3.68Å; R136-F220 HydrophobicContact CB-CD2 4.25Å; R136-F220 HydrophobicContact CB-CE1 3.9Å; R136-F220 HydrophobicContact CB-CE2 4.44Å; R136-F220 HydrophobicContact CB-CG 3.88Å; R136-F220 HydrophobicContact CB-CZ 4.28Å; R136-F220 WeakPolarHBondContact O-CB 3.22Å
137Q86.1Confident87.3Confident41 Ų4150.6 Ų50.619%0.19226%0.257CS..  trans-138.9151.5-178.3-64.1-168.7-17.700111.2H140 R222 Y231Q137-H140 PolarHBondContact O-NE2 3.18Å; Q137-R222 HydrophobicContact CB-CG 4.14Å; Q137-Y231 PolarHBondContact NE2-O 3.03Å
138G83.6Confident87.2Confident5 Ų551.5 Ų51.55%0.05226%0.263CS..EExtended strand (participates in β ladder)trans76.5-167.6178.300000113.5H140 E219 F220G138-H140 PolarHBondContact O-CD2 3.23Å; G138-H140 VanDerWaalsContact O-CD2 3.26Å; G138-E219 WeakPolarHBondContact O-CA 3.37Å; G138-F220 PolarHBondContact N-O 3.36Å; G138-F220 PolarHBondContact O-N 3.49Å
139M84Confident87.3Confident104 Ų10456.8 Ų56.851%0.51229%0.287SS..EExtended strand (participates in β ladder)trans-82133-175.6-65161.6177.300111.3M217 E219M139-M217 HydrophobicContact CB-SD 4.49Å; M139-M217 HydrophobicContact CG-SD 4.26Å; M139-E219 HydrophobicContact CG-CB 3.98Å; M139-E219 HydrophobicContact CG-CG 4.26Å
140H86.1Confident87.2Confident35 Ų3557 Ų5716%0.16229%0.292CS..EExtended strand (participates in β ladder)trans-130.7129.6174.1-63.4-100.8000109.3Q137 G138 L142 R161 M217 V218 F220Q137-H140 PolarHBondContact O-NE2 3.18Å; G138-H140 PolarHBondContact O-CD2 3.23Å; G138-H140 VanDerWaalsContact O-CD2 3.26Å; H140-L142 HydrophobicContact CB-CD2 4.14Å; H140-R161 PolarHBondContact ND1-NH1 3.23Å; H140-R161 VanDerWaalsContact ND1-NH1 3.15Å; H140-M217 WeakPolarHBondContact O-CA 3.49Å; H140-V218 PolarHBondContact N-O 3.5Å; H140-V218 PolarHBondContact O-N 2.8Å; H140-F220 HydrophobicContact CB-CE2 4.47Å; H140-F220 AromaticContact CD2-CD2 3.54Å; H140-F220 AromaticContact CD2-CE2 3.93Å
141D86.8Confident87.4Confident53 Ų5357.8 Ų57.828%0.28329%0.291SS..EExtended strand (participates in β ladder)trans-87.6116.5168.4-69.7-48.5000108.9K208 M217D141-K208 IonicContact OD1-NZ 3.99Å; D141-K208 PolarHBondContact OD1-NZ 3.4Å; D141-K208 VanDerWaalsContact OD2-CE 3.22Å; D141-K208 WeakPolarHBondContact OD2-CE 3.24Å; D141-K208 IonicContact OD2-NZ 3.18Å; D141-K208 PolarHBondContact OD2-NZ 3.05Å; D141-M217 WeakPolarHBondContact OD1-CB 3.37Å
142L90.1Very high87.6Confident0 Ų049 Ų490%025%0.254CS..EExtended strand (participates in β ladder)trans-104.7129.6-176.8-56.4-178.9000110.5L107 T124 V126 H140 V144 R161 Y215 L216 V218L107-L142 HydrophobicContact CD1-CD1 4.15Å; T124-L142 HydrophobicContact CG2-CB 4.17Å; T124-L142 HydrophobicContact CG2-CD1 4.37Å; V126-L142 HydrophobicContact CB-CD1 4.2Å; V126-L142 HydrophobicContact CB-CD2 4.11Å; V126-L142 HydrophobicContact CG1-CD1 3.69Å; V126-L142 HydrophobicContact CG1-CD2 4.32Å; V126-L142 HydrophobicContact CG2-CD2 4.09Å; H140-L142 HydrophobicContact CB-CD2 4.14Å; L142-V144 PolarHBondContact O-N 3.36Å; L142-R161 HydrophobicContact CD2-CG 4.19Å; L142-Y215 CarbonylContact O-C 3.6Å; L142-Y215 VanDerWaalsContact O-CA 3.28Å; L142-Y215 WeakPolarHBondContact O-CA 3.42Å; L142-L216 PolarHBondContact N-O 2.9Å; L142-L216 PolarHBondContact O-N 3.05Å; L142-V218 HydrophobicContact CD1-CB 4.17Å; L142-V218 HydrophobicContact CD1-CG2 3.72Å; L142-V218 HydrophobicContact CG-CG2 4.37Å
143K90.3Very high87.7Confident27 Ų2740.4 Ų40.412%0.11723%0.226CC..EExtended strand (participates in β ladder)trans-69.1125.2176.7-175.6-171.7-179.6-172.30110.4T124 W145 G160 F213 Y215T124-K143 VanDerWaalsContact CB-O 3.31Å; T124-K143 WeakPolarHBondContact CB-O 3.31Å; T124-K143 PolarHBondContact OG1-O 3.12Å; K143-W145 HydrophobicContact CD-CZ2 4.41Å; K143-G160 PolarHBondContact N-O 3.28Å; K143-F213 HydrophobicContact CD-CD1 4.43Å; K143-F213 HydrophobicContact CD-CG 4.33Å; K143-F213 HydrophobicContact CG-CB 4.13Å; K143-F213 HydrophobicContact CG-CD1 4.42Å; K143-F213 HydrophobicContact CG-CG 4.27Å; K143-Y215 HydrophobicContact CB-CD1 4.49Å; K143-Y215 HydrophobicContact CB-CE1 4.22Å
144V91.9Very high87.6Confident1 Ų145 Ų451%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-97.7125.3178.5-177.80000110.1L25 G122 T124 L142 M214 L216L25-V144 HydrophobicContact CD1-CG2 4.16Å; G122-V144 VanDerWaalsContact C-CG1 3.44Å; T124-V144 HydrophobicContact CG2-CG2 4.22Å; L142-V144 PolarHBondContact O-N 3.36Å; V144-M214 HydrophobicContact CB-CB 4.13Å; V144-M214 PolarHBondContact N-O 3.16Å; V144-L216 HydrophobicContact CG2-CB 3.7Å
145W90.6Very high87.3Confident71 Ų7147.9 Ų47.927%0.26927%0.27SS..EExtended strand (participates in β ladder)trans-85.2122.1178.8-67.285.3000110.1G122 G123 K143 V148 T158 P159G122-W145 CarbonylContact C-O 3.54Å; G122-W145 WeakPolarHBondContact CA-O 3.49Å; G123-W145 PolarHBondContact N-O 3.11Å; G123-W145 PolarHBondContact O-N 3.39Å; K143-W145 HydrophobicContact CD-CZ2 4.41Å; W145-V148 HydrophobicContact CB-CG2 3.55Å; W145-V148 WeakPolarHBondContact O-CG2 3.44Å; W145-T158 HydrophobicContact CB-CG2 4.03Å; W145-T158 VanDerWaalsContact CD1-CA 3.44Å; W145-T158 HydrophobicContact CG-CG2 4.19Å; W145-P159 HydrophobicContact CZ2-CG 4.01Å; W145-P159 PolarHBondContact NE1-O 2.95Å
146P88.6Confident87.1Confident78 Ų7849.2 Ų49.251%0.50628%0.279SS..EExtended strand (participates in β ladder)trans-70.4139.1-170.227.6-34.6000112.6V148P146-V148 PolarHBondContact O-N 3.44Å
147G86.3Confident87Confident53 Ų5351.1 Ų51.155%0.54630%0.3SS..THydrogen-bonded Turntrans71.17.617000000116.3V121V121-G147 PolarHBondContact O-N 2.97Å
148V90.5Very high87.2Confident65 Ų6549.1 Ų49.139%0.39429%0.291SS..SBendtrans-122.4152.3178.3-64.80000110.4G122 G123 W145 P146 T158G122-V148 CarbonylContact C-O 3.59Å; G122-V148 VanDerWaalsContact CA-O 3.29Å; G122-V148 WeakPolarHBondContact CA-O 3.42Å; G123-V148 WeakPolarHBondContact CA-O 3.34Å; G123-V148 PolarHBondContact N-O 2.94Å; W145-V148 HydrophobicContact CB-CG2 3.55Å; W145-V148 WeakPolarHBondContact O-CG2 3.44Å; P146-V148 PolarHBondContact O-N 3.44Å; V148-T158 HydrophobicContact CB-CG2 4.48Å; V148-T158 HydrophobicContact CG2-CG2 3.62Å
149E93.8Very high87.5Confident110 Ų11050.6 Ų50.651%0.51430%0.299SS..PPolyproline II helixtrans-80.8152.5171.4-62.7-176-15200110.4T108 W110 P120 D151T108-E149 HydrophobicContact CG2-CB 4.23Å; T108-E149 HydrophobicContact CG2-CG 4.1Å; W110-E149 VanDerWaalsContact CH2-CD 3.48Å; W110-E149 HydrophobicContact CH2-CG 4.02Å; W110-E149 VanDerWaalsContact CH2-OE1 3.27Å; W110-E149 WeakPolarHBondContact CH2-OE1 3.31Å; W110-E149 HydrophobicContact CZ2-CG 4.19Å; P120-E149 HydrophobicContact CB-CG 3.9Å; P120-E149 HydrophobicContact CG-CG 4.13Å; E149-D151 PolarHBondContact O-N 2.8Å
150G90.1Very high87.4Confident12 Ų1245.8 Ų45.812%0.12428%0.276CS..PPolyproline II helixtrans-66.5122.9172.900000109.9T108T108-G150 PolarHBondContact OG1-N 2.83Å
151D86.8Confident87Confident39 Ų3948.9 Ų48.921%0.20929%0.287CS..PPolyproline II helixtrans-102.3137.7178.873.595.1000110.8T125 E149 G153 T156 S157 T158T125-D151 WeakPolarHBondContact CB-O 3.22Å; T125-D151 WeakPolarHBondContact CG2-O 3.47Å; T125-D151 PolarHBondContact OG1-O 3.49Å; E149-D151 PolarHBondContact O-N 2.8Å; D151-G153 VanDerWaalsContact C-N 3.25Å; D151-G153 PolarHBondContact O-N 3.12Å; D151-G153 PolarHBondContact OD1-N 2.87Å; D151-T156 PolarHBondContact O-OG1 2.9Å; D151-T156 VanDerWaalsContact OD1-CA 3.25Å; D151-T156 WeakPolarHBondContact OD1-CA 3.16Å; D151-T156 PolarHBondContact OD1-OG1 2.85Å; D151-T156 VanDerWaalsContact OD1-OG1 3.11Å; D151-T156 PolarHBondContact OD2-OG1 2.94Å; D151-S157 VanDerWaalsContact CG-OG 3.26Å; D151-S157 PolarHBondContact OD1-N 3.04Å; D151-S157 WeakPolarHBondContact OD2-CA 3.41Å; D151-S157 WeakPolarHBondContact OD2-CB 3.42Å; D151-S157 PolarHBondContact OD2-N 3.14Å; D151-S157 PolarHBondContact OD2-OG 2.93Å; D151-T158 PolarHBondContact N-OG1 2.81Å; D151-T158 WeakPolarHBondContact OD2-CB 3.35Å; D151-T158 PolarHBondContact OD2-N 2.89Å; D151-T158 PolarHBondContact OD2-OG1 3.27Å
152G84.5Confident85.8Confident5 Ų548.3 Ų48.35%0.05229%0.285CS..  trans-87.922.2174.300000114.3G66G66-G152 VanDerWaalsContact CA-O 3.25Å; G66-G152 WeakPolarHBondContact CA-O 3.43Å; G66-G152 PolarHBondContact N-O 3.11Å
153G83.4Confident83.8Confident21 Ų2154.2 Ų54.222%0.21633%0.327CS..  trans-70160.9-17500000113.6D151 P155 T156D151-G153 VanDerWaalsContact C-N 3.25Å; D151-G153 PolarHBondContact O-N 3.12Å; D151-G153 PolarHBondContact OD1-N 2.87Å; G153-P155 CarbonylContact O-C 3.54Å; G153-P155 VanDerWaalsContact O-C 3.32Å; G153-T156 VanDerWaalsContact O-CA 3.27Å; G153-T156 WeakPolarHBondContact O-CA 3.25Å; G153-T156 WeakPolarHBondContact O-CB 3.28Å; G153-T156 PolarHBondContact O-N 2.96Å
154E80.2Confident81.7Confident102 Ų10257.7 Ų57.748%0.47735%0.354SS..SBendtrans-125.7102.6173-66.5-165.5158.600109.6Q104Q104-E154 PolarHBondContact NE2-OE1 2.76Å
155P81Confident79.5Confident131 Ų13159.6 Ų59.685%0.85137%0.368SS*.SBendcis-75.6145.6-032.3-34.8000113.3G153G153-P155 CarbonylContact O-C 3.54Å; G153-P155 VanDerWaalsContact O-C 3.32Å
156T86.2Confident77.4Confident33 Ų3359.1 Ų59.120%0.20237%0.37CS..  trans-72.2140178.8176.50000111.5T125 D151 G153 T158 P159T125-T156 HydrophobicContact CG2-CG2 4.42Å; D151-T156 PolarHBondContact O-OG1 2.9Å; D151-T156 VanDerWaalsContact OD1-CA 3.25Å; D151-T156 WeakPolarHBondContact OD1-CA 3.16Å; D151-T156 PolarHBondContact OD1-OG1 2.85Å; D151-T156 VanDerWaalsContact OD1-OG1 3.11Å; D151-T156 PolarHBondContact OD2-OG1 2.94Å; G153-T156 VanDerWaalsContact O-CA 3.27Å; G153-T156 WeakPolarHBondContact O-CA 3.25Å; G153-T156 WeakPolarHBondContact O-CB 3.28Å; G153-T156 PolarHBondContact O-N 2.96Å; T156-T158 VanDerWaalsContact C-N 3.31Å; T156-T158 PolarHBondContact OG1-N 2.84Å; T156-T158 PolarHBondContact OG1-OG1 2.93Å; T156-P159 HydrophobicContact CG2-CB 4.01Å
157S86.9Confident75.2Confident87 Ų8759.8 Ų59.861%0.60838%0.382SS*.SBendtrans-80.8-13.8174.377.10000113.2D151 P159D151-S157 VanDerWaalsContact CG-OG 3.26Å; D151-S157 PolarHBondContact OD1-N 3.04Å; D151-S157 WeakPolarHBondContact OD2-CA 3.41Å; D151-S157 WeakPolarHBondContact OD2-CB 3.42Å; D151-S157 PolarHBondContact OD2-N 3.14Å; D151-S157 PolarHBondContact OD2-OG 2.93Å; S157-P159 WeakPolarHBondContact O-CD 3.44Å
158T90.4Very high73.5Confident0 Ų066 Ų660%040%0.397CS..SBendtrans-121.452.2-177.251.60000113.1T124 T125 W145 V148 D151 T156 G160T124-T158 CarbonylContact C-O 3.56Å; T125-T158 PolarHBondContact N-O 2.83Å; T125-T158 PolarHBondContact OG1-OG1 2.78Å; W145-T158 HydrophobicContact CB-CG2 4.03Å; W145-T158 VanDerWaalsContact CD1-CA 3.44Å; W145-T158 HydrophobicContact CG-CG2 4.19Å; V148-T158 HydrophobicContact CB-CG2 4.48Å; V148-T158 HydrophobicContact CG2-CG2 3.62Å; D151-T158 PolarHBondContact N-OG1 2.81Å; D151-T158 WeakPolarHBondContact OD2-CB 3.35Å; D151-T158 PolarHBondContact OD2-N 2.89Å; D151-T158 PolarHBondContact OD2-OG1 3.27Å; T156-T158 VanDerWaalsContact C-N 3.31Å; T156-T158 PolarHBondContact OG1-N 2.84Å; T156-T158 PolarHBondContact OG1-OG1 2.93Å; T158-G160 PolarHBondContact O-N 2.88Å; T158-G160 VanDerWaalsContact O-N 3.15Å
159P89.6Confident72.2Confident35 Ų3565.2 Ų65.223%0.22739%0.39CS..BIsolated β-bridgetrans-64.8120.7-176.427.7-34.2000111.2W145 T156 S157 R161W145-P159 HydrophobicContact CZ2-CG 4.01Å; W145-P159 PolarHBondContact NE1-O 2.95Å; T156-P159 HydrophobicContact CG2-CB 4.01Å; S157-P159 WeakPolarHBondContact O-CD 3.44Å; P159-R161 VanDerWaalsContact C-N 3.25Å; P159-R161 PolarHBondContact O-N 2.98Å
160G82.4Confident71.1Confident4 Ų465.8 Ų65.84%0.04139%0.393CS..SBendtrans-73.2-18.1177.300000113.7T124 T125 K143 T158T124-G160 WeakPolarHBondContact OG1-CA 3.41Å; T125-G160 PolarHBondContact O-N 2.96Å; K143-G160 PolarHBondContact N-O 3.28Å; T158-G160 PolarHBondContact O-N 2.88Å; T158-G160 VanDerWaalsContact O-N 3.15Å
161R77.7Confident70.1Confident100 Ų10066.4 Ų66.438%0.37739%0.393SS..SBendtrans-127.3109.9175.2-65.5-17663.7142.94.5109.9V126 H140 L142 P159V126-R161 HydrophobicContact CG2-CG 4.46Å; H140-R161 PolarHBondContact ND1-NH1 3.23Å; H140-R161 VanDerWaalsContact ND1-NH1 3.15Å; L142-R161 HydrophobicContact CD2-CG 4.19Å; P159-R161 VanDerWaalsContact C-N 3.25Å; P159-R161 PolarHBondContact O-N 2.98Å
162T61.3Low69.3Low40 Ų4064.7 Ų64.725%0.24538%0.384CS..  trans-83.5130.3173.843.90000110.7S164 S165T162-S164 VanDerWaalsContact C-N 3.27Å; T162-S164 PolarHBondContact O-N 3.22Å; T162-S165 PolarHBondContact OG1-OG 2.96Å
163S48.4Very low68.8Low125 Ų12573 Ų7387%0.87441%0.414SS*.THydrogen-bonded Turntrans-69.3-20.5-177.148.20000113.9
164S45.3Very low68.6Low100 Ų10073.5 Ų73.570%0.69941%0.412SS*.THydrogen-bonded Turntrans-87.7-14.7-174.7460000115.6T162T162-S164 VanDerWaalsContact C-N 3.27Å; T162-S164 PolarHBondContact O-N 3.22Å
165S45.7Very low68.3Low41 Ų4171.3 Ų71.329%0.28741%0.411SS..THydrogen-bonded Turntrans-103-23.5-173.547.50000115.2T162 A167 E168 D169T162-S165 PolarHBondContact OG1-OG 2.96Å; S165-A167 PolarHBondContact O-N 3.46Å; S165-A167 VanDerWaalsContact O-N 3.08Å; S165-E168 PolarHBondContact O-N 3.46Å; S165-D169 WeakPolarHBondContact O-CB 3.19Å; S165-D169 PolarHBondContact O-N 3.39Å
166L46.9Very low68Low60 Ų6071.1 Ų71.131%0.31440%0.397SS..THydrogen-bonded Turntrans-71.5-5.9-173.8-76.3164.9000115.8K176L166-K176 PolarHBondContact O-NZ 3.2Å; L166-K176 VanDerWaalsContact O-NZ 3.1Å
167A42Very low67.7Low92 Ų9273.3 Ų73.376%0.7641%0.407SS*.THydrogen-bonded Turntrans-93.2-24.8175.600000112.9S165S165-A167 PolarHBondContact O-N 3.46Å; S165-A167 VanDerWaalsContact O-N 3.08Å
168E49.5Very low67.3Low185 Ų18570.2 Ų70.286%0.86439%0.385SS*.THydrogen-bonded Turntrans-116.4-17.1-175.3-66.6-175.2162.800113.8S165S165-E168 PolarHBondContact O-N 3.46Å
169D65.2Low66.6Low48 Ų4876.1 Ų76.126%0.25741%0.41SS..  trans-82.7132.2-176.4-157.928.3000112.5S165 M171 G172 R173 E207S165-D169 WeakPolarHBondContact O-CB 3.19Å; S165-D169 PolarHBondContact O-N 3.39Å; D169-M171 PolarHBondContact O-N 2.92Å; D169-G172 PolarHBondContact O-N 2.83Å; D169-G172 VanDerWaalsContact O-N 3.13Å; D169-R173 PolarHBondContact O-N 3.27Å; D169-E207 VanDerWaalsContact OD1-OE1 3.05Å
170Q69Low65.9Low121 Ų12175.6 Ų75.657%0.56541%0.409SS*.Hα-helixtrans-61.8-42.1-174.5-79.6-162.1-18.200111.7G172 R173 L174Q170-G172 VanDerWaalsContact C-N 3.29Å; Q170-G172 PolarHBondContact O-N 2.92Å; Q170-R173 PolarHBondContact O-N 2.89Å; Q170-R173 VanDerWaalsContact O-N 3.15Å; Q170-L174 WeakPolarHBondContact O-CG 3.21Å; Q170-L174 PolarHBondContact O-N 3Å
171M70.6Confident65.9Low25 Ų2576.3 Ų76.312%0.12341%0.411CS..Hα-helixtrans-54.6-40.9173.9-177.7170.161.600113D169 A175 E207 K208 Y215D169-M171 PolarHBondContact O-N 2.92Å; M171-A175 WeakPolarHBondContact O-CB 3.19Å; M171-A175 PolarHBondContact O-N 3.29Å; M171-E207 VanDerWaalsContact CB-OE2 3.29Å; M171-E207 WeakPolarHBondContact CB-OE2 3.39Å; M171-E207 PolarHBondContact N-OE2 3.36Å; M171-K208 HydrophobicContact SD-CG 4.3Å; M171-Y215 HydrophobicContact CE-CE1 4.11Å
172G68.1Low65.7Low3 Ų377.6 Ų77.63%0.03142%0.416CS..Hα-helixtrans-67.3-39.1177.700000113.2D169 Q170 K176D169-G172 PolarHBondContact O-N 2.83Å; D169-G172 VanDerWaalsContact O-N 3.13Å; Q170-G172 VanDerWaalsContact C-N 3.29Å; Q170-G172 PolarHBondContact O-N 2.92Å; G172-K176 WeakPolarHBondContact O-CG 3.3Å; G172-K176 PolarHBondContact O-N 3.35Å
173R75.4Confident66Low180 Ų18080.8 Ų80.868%0.67943%0.428SS*.Hα-helixtrans-66.7-45.6175.1-178.1-179.8174.7-175.6-2111.5D169 Q170 A175 K176 L177D169-R173 PolarHBondContact O-N 3.27Å; Q170-R173 PolarHBondContact O-N 2.89Å; Q170-R173 VanDerWaalsContact O-N 3.15Å; R173-A175 VanDerWaalsContact C-N 3.35Å; R173-A175 PolarHBondContact O-N 3.36Å; R173-K176 PolarHBondContact O-N 3.02Å; R173-L177 HydrophobicContact CG-CD1 4.35Å; R173-L177 PolarHBondContact O-N 3.45Å; R173-L177 VanDerWaalsContact O-N 3.08Å
174L78.9Confident67.2Low31 Ų3177.2 Ų77.216%0.16241%0.411CS..Hα-helixtrans-65.9-36.1178.9-66.8178.9000112.2Q170 L177 T178 I200 I203Q170-L174 WeakPolarHBondContact O-CG 3.21Å; Q170-L174 PolarHBondContact O-N 3Å; L174-L177 PolarHBondContact O-N 2.88Å; L174-T178 WeakPolarHBondContact O-CB 3.4Å; L174-T178 PolarHBondContact O-N 3.4Å; L174-T178 PolarHBondContact O-OG1 3.1Å; L174-I200 HydrophobicContact CB-CG2 4.12Å; L174-I200 HydrophobicContact CD1-CG1 4.27Å; L174-I200 HydrophobicContact CD1-CG2 4.27Å; L174-I200 HydrophobicContact CD2-CG1 4.14Å; L174-I203 HydrophobicContact CD1-CB 4.17Å; L174-I203 HydrophobicContact CD1-CD1 4.2Å; L174-I203 HydrophobicContact CD1-CG2 3.81Å
175A73.1Confident68.6Low57 Ų5778.3 Ų78.347%0.47141%0.405SS..Hα-helixtrans-64.1-39.3173.900000112.6M171 R173 K179M171-A175 WeakPolarHBondContact O-CB 3.19Å; M171-A175 PolarHBondContact O-N 3.29Å; R173-A175 VanDerWaalsContact C-N 3.35Å; R173-A175 PolarHBondContact O-N 3.36Å; A175-K179 WeakPolarHBondContact O-CB 3.18Å; A175-K179 PolarHBondContact O-N 3.44Å
176K75.1Confident70.2Confident126 Ų12680.6 Ų80.655%0.54841%0.412SS..Hα-helixtrans-64.7-44.8174.5-73.4170.5-178.3164.30111.7L166 G172 R173 K179 A180L166-K176 PolarHBondContact O-NZ 3.2Å; L166-K176 VanDerWaalsContact O-NZ 3.1Å; G172-K176 WeakPolarHBondContact O-CG 3.3Å; G172-K176 PolarHBondContact O-N 3.35Å; R173-K176 PolarHBondContact O-N 3.02Å; K176-K179 WeakPolarHBondContact O-CB 3.47Å; K176-K179 PolarHBondContact O-N 3.12Å; K176-A180 PolarHBondContact O-N 3.09Å
177L79.9Confident71.8Confident80 Ų8083.9 Ų83.942%0.41943%0.434SS..Hα-helixtrans-65.7-41.8177.8-69.8171.9000112R173 L174 K179 A180 H181R173-L177 HydrophobicContact CG-CD1 4.35Å; R173-L177 PolarHBondContact O-N 3.45Å; R173-L177 VanDerWaalsContact O-N 3.08Å; L174-L177 PolarHBondContact O-N 2.88Å; L177-K179 VanDerWaalsContact C-N 3.28Å; L177-K179 PolarHBondContact O-N 3.45Å; L177-A180 PolarHBondContact O-N 3.07Å; L177-H181 PolarHBondContact O-N 3.44Å
178T78.9Confident73.6Confident21 Ų2185.9 Ų85.913%0.12943%0.426CS..Hα-helixtrans-59.8-39.6173.5-62.90000111.5L174 R182 F197L174-T178 WeakPolarHBondContact O-CB 3.4Å; L174-T178 PolarHBondContact O-N 3.4Å; L174-T178 PolarHBondContact O-OG1 3.1Å; T178-R182 WeakPolarHBondContact O-CB 3.02Å; T178-R182 VanDerWaalsContact O-CG 3.29Å; T178-R182 WeakPolarHBondContact O-CG 3.45Å; T178-R182 PolarHBondContact O-N 2.99Å; T178-F197 HydrophobicContact CG2-CE1 3.81Å
179K74.8Confident75.5Confident125 Ų12579.4 Ų79.454%0.54340%0.399SS..Hα-helixtrans-66.2-44.4175.2-172.9178.7174.3-177.80111.7A175 K176 L177 H181 R182 Q183A175-K179 WeakPolarHBondContact O-CB 3.18Å; A175-K179 PolarHBondContact O-N 3.44Å; K176-K179 WeakPolarHBondContact O-CB 3.47Å; K176-K179 PolarHBondContact O-N 3.12Å; L177-K179 VanDerWaalsContact C-N 3.28Å; L177-K179 PolarHBondContact O-N 3.45Å; K179-H181 VanDerWaalsContact C-N 3.35Å; K179-H181 PolarHBondContact O-N 3.12Å; K179-R182 PolarHBondContact O-N 3.46Å; K179-Q183 VanDerWaalsContact CE-NE2 3.33Å; K179-Q183 HydrophobicContact CG-CG 4.47Å; K179-Q183 WeakPolarHBondContact O-CB 3.48Å; K179-Q183 VanDerWaalsContact O-CG 3.27Å; K179-Q183 WeakPolarHBondContact O-CG 3.44Å; K179-Q183 PolarHBondContact O-N 2.8Å
180A76.5Confident76.2Confident24 Ų2482.8 Ų82.820%0.19842%0.417CS..Hα-helixtrans-62.1-40.9177.800000112.2K176 L177 Q183 G184 H185 M186K176-A180 PolarHBondContact O-N 3.09Å; L177-A180 PolarHBondContact O-N 3.07Å; A180-Q183 PolarHBondContact O-N 2.63Å; A180-G184 PolarHBondContact O-N 3.45Å; A180-H185 HydrophobicContact CB-CB 4.4Å; A180-H185 WeakPolarHBondContact O-CB 3.31Å; A180-H185 PolarHBondContact O-N 2.81Å; A180-M186 HydrophobicContact CB-SD 4.44Å
181H81.3Confident77.1Confident19 Ų1985.1 Ų85.19%0.08842%0.42CS..Hα-helixtrans-61.9-48.3173179.3-82.5000112.3L177 K179 Q183 G184 M186 D193 F197L177-H181 PolarHBondContact O-N 3.44Å; K179-H181 VanDerWaalsContact C-N 3.35Å; K179-H181 PolarHBondContact O-N 3.12Å; H181-Q183 VanDerWaalsContact C-N 3.25Å; H181-Q183 PolarHBondContact O-N 3.18Å; H181-G184 PolarHBondContact O-N 2.7Å; H181-M186 HydrophobicContact CB-CB 4.33Å; H181-M186 HydrophobicContact CB-CG 4.48Å; H181-M186 HydrophobicContact CB-SD 3.97Å; H181-D193 IonicContact CD2-OD1 3.02Å; H181-D193 IonicContact CE1-OD1 3.43Å; H181-D193 IonicContact CE1-OD2 3.52Å; H181-D193 PolarHBondContact CE1-OD2 3.12Å; H181-D193 VanDerWaalsContact CE1-OD2 3.3Å; H181-D193 IonicContact NE2-OD1 2.72Å; H181-D193 PolarHBondContact NE2-OD1 3.01Å; H181-D193 IonicContact NE2-OD2 3.31Å; H181-D193 PolarHBondContact NE2-OD2 2.99Å; H181-F197 AromaticContact CE1-CE2 3.87Å; H181-F197 AromaticContact CE1-CZ 3.77Å; H181-F197 AromaticContact ND1-CZ 3.54Å
182R72.9Confident77.8Confident127 Ų12787.4 Ų87.448%0.47943%0.433SS..Hα-helixtrans-62.4-32.1177.7-73.7177.5-176.4-177.42.7113T178 K179 G184T178-R182 WeakPolarHBondContact O-CB 3.02Å; T178-R182 VanDerWaalsContact O-CG 3.29Å; T178-R182 WeakPolarHBondContact O-CG 3.45Å; T178-R182 PolarHBondContact O-N 2.99Å; K179-R182 PolarHBondContact O-N 3.46Å; R182-G184 PolarHBondContact O-N 2.77Å
183Q69.5Low78.7Confident106 Ų10688.3 Ų88.350%0.49544%0.437SS..THydrogen-bonded Turntrans-76.9-2.8175.5-72.5177.8-32.800113.4K179 A180 H181 H185K179-Q183 VanDerWaalsContact CE-NE2 3.33Å; K179-Q183 HydrophobicContact CG-CG 4.47Å; K179-Q183 WeakPolarHBondContact O-CB 3.48Å; K179-Q183 VanDerWaalsContact O-CG 3.27Å; K179-Q183 WeakPolarHBondContact O-CG 3.44Å; K179-Q183 PolarHBondContact O-N 2.8Å; A180-Q183 PolarHBondContact O-N 2.63Å; H181-Q183 VanDerWaalsContact C-N 3.25Å; H181-Q183 PolarHBondContact O-N 3.18Å; Q183-H185 VanDerWaalsContact C-N 3.31Å
184G71.6Confident79.1Confident50 Ų5089 Ų8952%0.51544%0.44SS..THydrogen-bonded Turntrans80.48.9178.800000114.2A180 H181 R182 M186A180-G184 PolarHBondContact O-N 3.45Å; H181-G184 PolarHBondContact O-N 2.7Å; R182-G184 PolarHBondContact O-N 2.77Å; G184-M186 PolarHBondContact O-N 3.35Å
185H76.1Confident79.3Confident124 Ų12492.5 Ų92.557%0.57446%0.458SS*.SBendtrans-74.4-3.6174.5-56.3173.2000112.5A180 Q183A180-H185 HydrophobicContact CB-CB 4.4Å; A180-H185 WeakPolarHBondContact O-CB 3.31Å; A180-H185 PolarHBondContact O-N 2.81Å; Q183-H185 VanDerWaalsContact C-N 3.31Å
186M79.3Confident79.9Confident89 Ų8992.8 Ų92.844%0.43845%0.454SS..SBendtrans-129.9146.3175.6-54.7179.471.500109.1A180 H181 G184 K188A180-M186 HydrophobicContact CB-SD 4.44Å; H181-M186 HydrophobicContact CB-CB 4.33Å; H181-M186 HydrophobicContact CB-CG 4.48Å; H181-M186 HydrophobicContact CB-SD 3.97Å; G184-M186 PolarHBondContact O-N 3.35Å; M186-K188 PolarHBondContact O-N 3.04Å
187V80.4Confident80.3Confident128 Ų12890.1 Ų90.178%0.77644%0.442SS*.  trans-68.1127.1178.2-178.80000109.3V189V187-V189 HydrophobicContact CG1-CG2 4.32Å
188K80.3Confident80.4Confident135 Ų13594.2 Ų94.259%0.58745%0.452SS*.  trans-77.2128.4176.3-65.6-177.2179.9176.90110.3M186 D193M186-K188 PolarHBondContact O-N 3.04Å; K188-D193 WeakPolarHBondContact CA-OD2 3.35Å
189V88.9Confident80.7Confident49 Ų4998.2 Ų98.230%0.29747%0.469SS..  trans-134.894.4178-178.80000107.5V187 W191 L192 D193V187-V189 HydrophobicContact CG1-CG2 4.32Å; V189-W191 VanDerWaalsContact C-N 3.3Å; V189-W191 HydrophobicContact CG1-CG 4.44Å; V189-W191 PolarHBondContact O-N 3.07Å; V189-L192 HydrophobicContact CB-CB 4.11Å; V189-L192 HydrophobicContact CG1-CB 3.84Å; V189-L192 PolarHBondContact O-N 3.42Å; V189-D193 PolarHBondContact N-OD2 3.42Å; V189-D193 WeakPolarHBondContact O-CB 3.43Å; V189-D193 VanDerWaalsContact O-CG 3.22Å; V189-D193 PolarHBondContact O-N 3.15Å
190D80.3Confident81Confident118 Ų11893.3 Ų93.363%0.63145%0.449SS*.Hα-helixtrans-51.1-40.9-164.3-71.2-23.2000115.4R194D190-R194 WeakPolarHBondContact O-CD 3.48Å; D190-R194 WeakPolarHBondContact O-CG 3.21Å; D190-R194 PolarHBondContact O-N 3.2Å
191W87.4Confident81.2Confident170 Ų17098.7 Ų98.764%0.64447%0.47SS*.Hα-helixtrans-72.8-38.6-179.570.1-95.4000112.2V189 L195V189-W191 VanDerWaalsContact C-N 3.3Å; V189-W191 HydrophobicContact CG1-CG 4.44Å; V189-W191 PolarHBondContact O-N 3.07Å; W191-L195 HydrophobicContact CE3-CD1 4.1Å; W191-L195 HydrophobicContact CZ3-CD1 4.21Å; W191-L195 PolarHBondContact O-N 3.14Å
192L85.9Confident81.1Confident74 Ų74101.6 Ų101.639%0.38749%0.485SS..Hα-helixtrans-76.4-38.7-179.5-178.962000110.6V189 R194 L195 T196V189-L192 HydrophobicContact CB-CB 4.11Å; V189-L192 HydrophobicContact CG1-CB 3.84Å; V189-L192 PolarHBondContact O-N 3.42Å; L192-R194 VanDerWaalsContact C-N 3.33Å; L192-R194 PolarHBondContact O-N 3.43Å; L192-L195 PolarHBondContact O-N 2.94Å; L192-T196 VanDerWaalsContact O-CB 3.28Å; L192-T196 WeakPolarHBondContact O-CB 3.5Å; L192-T196 PolarHBondContact O-N 3.39Å; L192-T196 PolarHBondContact O-OG1 3.12Å
193D86.6Confident81.5Confident21 Ų2197.8 Ų97.811%0.11247%0.473CS..Hα-helixtrans-60.9-42.6176.4-71.5-18.7000110.6H181 K188 V189 L195 T196 F197H181-D193 IonicContact CD2-OD1 3.02Å; H181-D193 IonicContact CE1-OD1 3.43Å; H181-D193 IonicContact CE1-OD2 3.52Å; H181-D193 PolarHBondContact CE1-OD2 3.12Å; H181-D193 VanDerWaalsContact CE1-OD2 3.3Å; H181-D193 IonicContact NE2-OD1 2.72Å; H181-D193 PolarHBondContact NE2-OD1 3.01Å; H181-D193 IonicContact NE2-OD2 3.31Å; H181-D193 PolarHBondContact NE2-OD2 2.99Å; K188-D193 WeakPolarHBondContact CA-OD2 3.35Å; V189-D193 PolarHBondContact N-OD2 3.42Å; V189-D193 WeakPolarHBondContact O-CB 3.43Å; V189-D193 VanDerWaalsContact O-CG 3.22Å; V189-D193 PolarHBondContact O-N 3.15Å; D193-L195 PolarHBondContact O-N 3.09Å; D193-T196 PolarHBondContact O-N 3.28Å; D193-F197 HydrophobicContact CB-CD2 4.2Å; D193-F197 HydrophobicContact CB-CE2 4Å; D193-F197 WeakPolarHBondContact O-CB 3.4Å; D193-F197 WeakPolarHBondContact O-CD2 3.22Å; D193-F197 WeakPolarHBondContact O-CG 3.46Å; D193-F197 PolarHBondContact O-N 2.94Å
194R82.7Confident81.9Confident195 Ų19594 Ų9474%0.73646%0.456SS*.Hα-helixtrans-61.3-42175.9-75.5172.5-171.1-166.74.4113D190 L192 R198D190-R194 WeakPolarHBondContact O-CD 3.48Å; D190-R194 WeakPolarHBondContact O-CG 3.21Å; D190-R194 PolarHBondContact O-N 3.2Å; L192-R194 VanDerWaalsContact C-N 3.33Å; L192-R194 PolarHBondContact O-N 3.43Å; R194-R198 WeakPolarHBondContact O-CB 3.27Å; R194-R198 PolarHBondContact O-N 3.28Å
195L84.4Confident82.1Confident105 Ų10595.2 Ų95.255%0.5545%0.449SS..Hα-helixtrans-69.7-43.1176.5-71.6169.8000111.1W191 L192 D193 R198 E199W191-L195 HydrophobicContact CE3-CD1 4.1Å; W191-L195 HydrophobicContact CZ3-CD1 4.21Å; W191-L195 PolarHBondContact O-N 3.14Å; L192-L195 PolarHBondContact O-N 2.94Å; D193-L195 PolarHBondContact O-N 3.09Å; L195-R198 PolarHBondContact O-N 2.92Å; L195-E199 PolarHBondContact O-N 2.86Å
196T84.7Confident82.2Confident62 Ų6292.7 Ų92.738%0.3845%0.445SS..Hα-helixtrans-67.7-43.6-177.4-54.30000111.5L192 D193 R198 E199 I200L192-T196 VanDerWaalsContact O-CB 3.28Å; L192-T196 WeakPolarHBondContact O-CB 3.5Å; L192-T196 PolarHBondContact O-N 3.39Å; L192-T196 PolarHBondContact O-OG1 3.12Å; D193-T196 PolarHBondContact O-N 3.28Å; T196-R198 VanDerWaalsContact C-N 3.32Å; T196-R198 PolarHBondContact O-N 2.85Å; T196-E199 PolarHBondContact O-N 3.43Å; T196-I200 HydrophobicContact CG2-CD1 3.97Å; T196-I200 HydrophobicContact CG2-CG1 4.49Å; T196-I200 WeakPolarHBondContact O-CB 3.2Å; T196-I200 WeakPolarHBondContact O-CG1 3.41Å; T196-I200 PolarHBondContact O-N 3.3Å
197F83.9Confident82Confident70 Ų7090.4 Ų90.431%0.30743%0.433SS..Hα-helixtrans-65.3-35.9176.1-73.6-51.9000112.7T178 H181 D193 I200 E201T178-F197 HydrophobicContact CG2-CE1 3.81Å; H181-F197 AromaticContact CE1-CE2 3.87Å; H181-F197 AromaticContact CE1-CZ 3.77Å; H181-F197 AromaticContact ND1-CZ 3.54Å; D193-F197 HydrophobicContact CB-CD2 4.2Å; D193-F197 HydrophobicContact CB-CE2 4Å; D193-F197 WeakPolarHBondContact O-CB 3.4Å; D193-F197 WeakPolarHBondContact O-CD2 3.22Å; D193-F197 WeakPolarHBondContact O-CG 3.46Å; D193-F197 PolarHBondContact O-N 2.94Å; F197-I200 HydrophobicContact CD1-CD1 4.28Å; F197-I200 PolarHBondContact O-N 2.95Å; F197-E201 WeakPolarHBondContact O-CB 3.26Å; F197-E201 PolarHBondContact O-N 3.45Å
198R82.6Confident81.9Confident166 Ų16684.9 Ų84.963%0.62640%0.399SS*.Hα-helixtrans-64.6-43172.9-177.6178.1177.1143.40.9111.5R194 L195 T196 E201 M202R194-R198 WeakPolarHBondContact O-CB 3.27Å; R194-R198 PolarHBondContact O-N 3.28Å; L195-R198 PolarHBondContact O-N 2.92Å; T196-R198 VanDerWaalsContact C-N 3.32Å; T196-R198 PolarHBondContact O-N 2.85Å; R198-E201 PolarHBondContact O-N 3.3Å; R198-M202 WeakPolarHBondContact O-CG 3.44Å; R198-M202 PolarHBondContact O-N 2.86Å
199E83.8Confident81.5Confident105 Ų10585.6 Ų85.649%0.49140%0.398SS..Hα-helixtrans-65.1-42176.9-158.964-154.500111.6L195 T196 E201 M202 I203L195-E199 PolarHBondContact O-N 2.86Å; T196-E199 PolarHBondContact O-N 3.43Å; E199-E201 VanDerWaalsContact C-N 3.31Å; E199-E201 PolarHBondContact O-N 3.48Å; E199-M202 VanDerWaalsContact CD-CE 3.46Å; E199-M202 PolarHBondContact O-N 3.41Å; E199-M202 WeakPolarHBondContact OE2-CE 3.2Å; E199-I203 HydrophobicContact CG-CD1 4.21Å; E199-I203 VanDerWaalsContact O-CG1 3.27Å; E199-I203 WeakPolarHBondContact O-CG1 3.44Å; E199-I203 PolarHBondContact O-N 3.17Å
200I82.6Confident80.8Confident23 Ų2387.6 Ų87.612%0.11841%0.414CS..Hα-helixtrans-59.4-42.3174.6-70.7167.4000111.1L174 T196 F197 I203 N204L174-I200 HydrophobicContact CB-CG2 4.12Å; L174-I200 HydrophobicContact CD1-CG1 4.27Å; L174-I200 HydrophobicContact CD1-CG2 4.27Å; L174-I200 HydrophobicContact CD2-CG1 4.14Å; T196-I200 HydrophobicContact CG2-CD1 3.97Å; T196-I200 HydrophobicContact CG2-CG1 4.49Å; T196-I200 WeakPolarHBondContact O-CB 3.2Å; T196-I200 WeakPolarHBondContact O-CG1 3.41Å; T196-I200 PolarHBondContact O-N 3.3Å; F197-I200 HydrophobicContact CD1-CD1 4.28Å; F197-I200 PolarHBondContact O-N 2.95Å; I200-I203 PolarHBondContact O-N 2.63Å; I200-N204 WeakPolarHBondContact O-CB 3.44Å; I200-N204 VanDerWaalsContact O-CG 3.29Å; I200-N204 PolarHBondContact O-N 3.2Å
201E79.6Confident80.6Confident136 Ų13683.2 Ų83.264%0.63639%0.392SS*.Hα-helixtrans-62.9-45.6176.5-172.1175.8-162.500111.5F197 R198 E199 I203 N204 E205F197-E201 WeakPolarHBondContact O-CB 3.26Å; F197-E201 PolarHBondContact O-N 3.45Å; R198-E201 PolarHBondContact O-N 3.3Å; E199-E201 VanDerWaalsContact C-N 3.31Å; E199-E201 PolarHBondContact O-N 3.48Å; E201-I203 PolarHBondContact O-N 2.53Å; E201-N204 PolarHBondContact O-N 3.42Å; E201-E205 WeakPolarHBondContact O-CB 3.38Å; E201-E205 PolarHBondContact O-N 2.95Å
202M79.5Confident80Confident81 Ų8182 Ų8240%0.39940%0.399SS..Hα-helixtrans-63.7-40.7177.3-69.4-167.8-53.100112.7R198 E199 E205 S206R198-M202 WeakPolarHBondContact O-CG 3.44Å; R198-M202 PolarHBondContact O-N 2.86Å; E199-M202 VanDerWaalsContact CD-CE 3.46Å; E199-M202 PolarHBondContact O-N 3.41Å; E199-M202 WeakPolarHBondContact OE2-CE 3.2Å; M202-E205 PolarHBondContact O-N 3.33Å; M202-S206 WeakPolarHBondContact O-CB 3.26Å; M202-S206 PolarHBondContact O-N 3.15Å; M202-S206 PolarHBondContact O-OG 3.04Å
203I80.5Confident79.8Confident47 Ų4781.6 Ų81.624%0.24139%0.394CS..Hα-helixtrans-62.4-52.2176.2-68.6165.7000109.9L174 E199 I200 E201 E205 S206 E207L174-I203 HydrophobicContact CD1-CB 4.17Å; L174-I203 HydrophobicContact CD1-CD1 4.2Å; L174-I203 HydrophobicContact CD1-CG2 3.81Å; E199-I203 HydrophobicContact CG-CD1 4.21Å; E199-I203 VanDerWaalsContact O-CG1 3.27Å; E199-I203 WeakPolarHBondContact O-CG1 3.44Å; E199-I203 PolarHBondContact O-N 3.17Å; I200-I203 PolarHBondContact O-N 2.63Å; E201-I203 PolarHBondContact O-N 2.53Å; I203-E205 VanDerWaalsContact C-N 3.3Å; I203-E205 PolarHBondContact O-N 3.34Å; I203-S206 PolarHBondContact O-N 2.8Å; I203-S206 PolarHBondContact O-OG 2.9Å; I203-E207 WeakPolarHBondContact O-CB 3.47Å; I203-E207 PolarHBondContact O-N 2.89Å
204N78.3Confident79.8Confident26 Ų2681.1 Ų81.114%0.13939%0.391CS..Hα-helixtrans-59.6-40.6179.3-72.9-8.5000111.9I200 E201 E207 K208I200-N204 WeakPolarHBondContact O-CB 3.44Å; I200-N204 VanDerWaalsContact O-CG 3.29Å; I200-N204 PolarHBondContact O-N 3.2Å; E201-N204 PolarHBondContact O-N 3.42Å; N204-E207 PolarHBondContact O-N 2.84Å; N204-K208 WeakPolarHBondContact O-CB 3.47Å; N204-K208 WeakPolarHBondContact O-CG 3.48Å; N204-K208 PolarHBondContact O-N 3.09Å
205E76.3Confident80.2Confident76 Ų7673.3 Ų73.336%0.35536%0.362SS..Hα-helixtrans-65.7-41.6177.7-170.6176.7-160.100111.9E201 M202 I203 R209E201-E205 WeakPolarHBondContact O-CB 3.38Å; E201-E205 PolarHBondContact O-N 2.95Å; M202-E205 PolarHBondContact O-N 3.33Å; I203-E205 VanDerWaalsContact C-N 3.3Å; I203-E205 PolarHBondContact O-N 3.34Å; E205-R209 VanDerWaalsContact CD-NH2 3.26Å; E205-R209 WeakPolarHBondContact O-CB 3.19Å; E205-R209 VanDerWaalsContact O-CG 3.26Å; E205-R209 WeakPolarHBondContact O-CG 3.42Å; E205-R209 PolarHBondContact O-N 3.28Å; E205-R209 IonicContact OE1-CZ 2.76Å; E205-R209 IonicContact OE1-NE 3.07Å; E205-R209 IonicContact OE1-NH2 3.38Å; E205-R209 PolarHBondContact OE1-NH2 3.49Å; E205-R209 IonicContact OE2-NH2 3.3Å
206S77.8Confident80.5Confident70 Ų7068.3 Ų68.349%0.4934%0.336SS..Hα-helixtrans-63.9-42176.375.30000112.5M202 I203 R209 S210M202-S206 WeakPolarHBondContact O-CB 3.26Å; M202-S206 PolarHBondContact O-N 3.15Å; M202-S206 PolarHBondContact O-OG 3.04Å; I203-S206 PolarHBondContact O-N 2.8Å; I203-S206 PolarHBondContact O-OG 2.9Å; S206-R209 PolarHBondContact O-N 3.41Å; S206-S210 PolarHBondContact O-N 3.39Å; S206-S210 VanDerWaalsContact O-N 3.09Å
207E76.1Confident80.8Confident42 Ų4266.9 Ų66.920%0.19633%0.325CS..Hα-helixtrans-67.5-46-179.3-167162.6-143.100110.6D169 M171 I203 N204 R209 S210 S211D169-E207 VanDerWaalsContact OD1-OE1 3.05Å; M171-E207 VanDerWaalsContact CB-OE2 3.29Å; M171-E207 WeakPolarHBondContact CB-OE2 3.39Å; M171-E207 PolarHBondContact N-OE2 3.36Å; I203-E207 WeakPolarHBondContact O-CB 3.47Å; I203-E207 PolarHBondContact O-N 2.89Å; N204-E207 PolarHBondContact O-N 2.84Å; E207-R209 VanDerWaalsContact C-N 3.35Å; E207-R209 PolarHBondContact O-N 3.38Å; E207-S210 PolarHBondContact O-N 2.99Å; E207-S210 VanDerWaalsContact O-N 3.12Å; E207-S210 PolarHBondContact O-OG 3.13Å; E207-S211 PolarHBondContact O-N 2.97Å
208K76.7Confident81.3Confident12 Ų1263.5 Ų63.55%0.05231%0.31CS..Hα-helixtrans-60.2-39.3173.9-70.6173.2-171.4-177.50113E26 D141 M171 N204 S210 S211 Y215E26-K208 HydrophobicContact CB-CD 4.3Å; E26-K208 WeakPolarHBondContact OE2-CD 3.23Å; E26-K208 IonicContact OE2-NZ 3.08Å; E26-K208 PolarHBondContact OE2-NZ 3.02Å; E26-K208 VanDerWaalsContact OE2-NZ 3.08Å; D141-K208 IonicContact OD1-NZ 3.99Å; D141-K208 PolarHBondContact OD1-NZ 3.4Å; D141-K208 VanDerWaalsContact OD2-CE 3.22Å; D141-K208 WeakPolarHBondContact OD2-CE 3.24Å; D141-K208 IonicContact OD2-NZ 3.18Å; D141-K208 PolarHBondContact OD2-NZ 3.05Å; M171-K208 HydrophobicContact SD-CG 4.3Å; N204-K208 WeakPolarHBondContact O-CB 3.47Å; N204-K208 WeakPolarHBondContact O-CG 3.48Å; N204-K208 PolarHBondContact O-N 3.09Å; K208-S210 VanDerWaalsContact C-N 3.29Å; K208-S210 PolarHBondContact O-N 3.17Å; K208-S211 PolarHBondContact O-N 3.48Å; K208-Y215 HydrophobicContact CB-CD2 4.25Å; K208-Y215 HydrophobicContact CG-CD2 3.95Å; K208-Y215 HydrophobicContact CG-CE2 4.41Å; K208-Y215 HydrophobicContact CG-CG 4.2Å
209R73.6Confident81.7Confident150 Ų15057.6 Ų57.657%0.56629%0.29SS*.Hα-helixtrans-69-26.3176.5-75.5177-172.5-175.85.2113.4E205 S206 E207E205-R209 VanDerWaalsContact CD-NH2 3.26Å; E205-R209 WeakPolarHBondContact O-CB 3.19Å; E205-R209 VanDerWaalsContact O-CG 3.26Å; E205-R209 WeakPolarHBondContact O-CG 3.42Å; E205-R209 PolarHBondContact O-N 3.28Å; E205-R209 IonicContact OE1-CZ 2.76Å; E205-R209 IonicContact OE1-NE 3.07Å; E205-R209 IonicContact OE1-NH2 3.38Å; E205-R209 PolarHBondContact OE1-NH2 3.49Å; E205-R209 IonicContact OE2-NH2 3.3Å; S206-R209 PolarHBondContact O-N 3.41Å; E207-R209 VanDerWaalsContact C-N 3.35Å; E207-R209 PolarHBondContact O-N 3.38Å
210S72.8Confident82.1Confident90 Ų9052.6 Ų52.663%0.62927%0.266SS*.Hα-helixtrans-84.8-18.8176.474.50000113.4S206 E207 K208S206-S210 PolarHBondContact O-N 3.39Å; S206-S210 VanDerWaalsContact O-N 3.09Å; E207-S210 PolarHBondContact O-N 2.99Å; E207-S210 VanDerWaalsContact O-N 3.12Å; E207-S210 PolarHBondContact O-OG 3.13Å; K208-S210 VanDerWaalsContact C-N 3.29Å; K208-S210 PolarHBondContact O-N 3.17Å
211S75.8Confident82.2Confident26 Ų2652.4 Ų52.418%0.18227%0.266CS..SBendtrans-73.7146.4176.6-175.40000112.1E207 K208 F213 Y215E207-S211 PolarHBondContact O-N 2.97Å; K208-S211 PolarHBondContact O-N 3.48Å; S211-F213 PolarHBondContact O-N 2.94Å; S211-F213 PolarHBondContact OG-N 3.39Å; S211-Y215 PolarHBondContact OG-OH 3.46Å
212N75.9Confident82.2Confident146 Ų14650.1 Ų50.178%0.78125%0.252SS*.SBendtrans-79.73.6173.4-67.8-26.4000113
213F81Confident82.1Confident64 Ų6447.6 Ų47.628%0.28124%0.241SC..SBendtrans-114.6156.3-179.3-65-81.7000111.6K143 S211 Y215K143-F213 HydrophobicContact CD-CD1 4.43Å; K143-F213 HydrophobicContact CD-CG 4.33Å; K143-F213 HydrophobicContact CG-CB 4.13Å; K143-F213 HydrophobicContact CG-CD1 4.42Å; K143-F213 HydrophobicContact CG-CG 4.27Å; S211-F213 PolarHBondContact O-N 2.94Å; S211-F213 PolarHBondContact OG-N 3.39Å; F213-Y215 HydrophobicContact CB-CE2 4.24Å
214M87.6Confident81.8Confident11 Ų1152.2 Ų52.25%0.05426%0.259CS..EExtended strand (participates in β ladder)trans-89.3150.7168.6-68.5174.6-68.900110.3L25 E26 V121 V144L25-M214 HydrophobicContact CD1-CB 4.11Å; E26-M214 CarbonylContact O-C 3.32Å; E26-M214 WeakPolarHBondContact O-CA 3.42Å; V121-M214 HydrophobicContact CG1-CE 3.61Å; V121-M214 HydrophobicContact CG1-SD 4.06Å; V144-M214 HydrophobicContact CB-CB 4.13Å; V144-M214 PolarHBondContact N-O 3.16Å
215Y89.8Confident80.8Confident32 Ų3254.6 Ų54.613%0.12528%0.275CS..EExtended strand (participates in β ladder)trans-126.4123.5178.7-66.1-95.6000109.9L25 E26 L142 K143 M171 K208 S211 F213L25-Y215 WeakPolarHBondContact CA-O 3.25Å; E26-Y215 PolarHBondContact N-O 2.84Å; E26-Y215 PolarHBondContact O-N 3.49Å; L142-Y215 CarbonylContact O-C 3.6Å; L142-Y215 VanDerWaalsContact O-CA 3.28Å; L142-Y215 WeakPolarHBondContact O-CA 3.42Å; K143-Y215 HydrophobicContact CB-CD1 4.49Å; K143-Y215 HydrophobicContact CB-CE1 4.22Å; M171-Y215 HydrophobicContact CE-CE1 4.11Å; K208-Y215 HydrophobicContact CB-CD2 4.25Å; K208-Y215 HydrophobicContact CG-CD2 3.95Å; K208-Y215 HydrophobicContact CG-CE2 4.41Å; K208-Y215 HydrophobicContact CG-CG 4.2Å; S211-Y215 PolarHBondContact OG-OH 3.46Å; F213-Y215 HydrophobicContact CB-CE2 4.24Å
216L92.2Very high80.3Confident0 Ų054.8 Ų54.80%030%0.297CS..EExtended strand (participates in β ladder)trans-100119.3175.6-179.267.1000109.2I22 L25 V58 W86 L107 V109 T124 L142 V144 V218I22-L216 HydrophobicContact CG2-CD1 4.18Å; L25-L216 HydrophobicContact CB-CD1 4.23Å; L25-L216 HydrophobicContact CD1-CB 4.08Å; L25-L216 HydrophobicContact CD1-CD1 4.27Å; V58-L216 HydrophobicContact CG1-CD2 4.12Å; V58-L216 HydrophobicContact CG2-CD1 4.42Å; W86-L216 HydrophobicContact CZ3-CD1 4.31Å; L107-L216 HydrophobicContact CB-CD2 4.18Å; L107-L216 HydrophobicContact CD2-CD2 4.03Å; V109-L216 HydrophobicContact CG2-CD2 4.5Å; T124-L216 HydrophobicContact CG2-CD2 4.36Å; L142-L216 PolarHBondContact N-O 2.9Å; L142-L216 PolarHBondContact O-N 3.05Å; V144-L216 HydrophobicContact CG2-CB 3.7Å; L216-V218 HydrophobicContact CD2-CG2 4.21Å; L216-V218 HydrophobicContact CG-CG2 4.13Å
217M91.2Very high79.2Confident31 Ų3161.3 Ų61.315%0.15332%0.32CS..EExtended strand (participates in β ladder)trans-79.5122.6174.7-173.1-84-8200110G23 S24 M139 H140 D141 E219G23-M217 VanDerWaalsContact CA-CE 3.44Å; G23-M217 WeakPolarHBondContact CA-O 3.35Å; G23-M217 PolarHBondContact N-O 2.81Å; S24-M217 PolarHBondContact O-N 2.89Å; M139-M217 HydrophobicContact CB-SD 4.49Å; M139-M217 HydrophobicContact CG-SD 4.26Å; H140-M217 WeakPolarHBondContact O-CA 3.49Å; D141-M217 WeakPolarHBondContact OD1-CB 3.37Å; M217-E219 HydrophobicContact SD-CB 4.37Å
218V93.1Very high78.3Confident0 Ų066.7 Ų66.70%034%0.343CS..EExtended strand (participates in β ladder)trans-123.2125.2176.4-176.70000109.2L20 K21 I22 L107 H140 L142 L216 F220L20-V218 HydrophobicContact CB-CG1 4.41Å; K21-V218 WeakPolarHBondContact O-CA 3.49Å; I22-V218 HydrophobicContact CD1-CG2 4.46Å; L107-V218 HydrophobicContact CD2-CG2 3.94Å; H140-V218 PolarHBondContact N-O 3.5Å; H140-V218 PolarHBondContact O-N 2.8Å; L142-V218 HydrophobicContact CD1-CB 4.17Å; L142-V218 HydrophobicContact CD1-CG2 3.72Å; L142-V218 HydrophobicContact CG-CG2 4.37Å; L216-V218 HydrophobicContact CD2-CG2 4.21Å; L216-V218 HydrophobicContact CG-CG2 4.13Å; V218-F220 HydrophobicContact CB-CE2 4.39Å; V218-F220 HydrophobicContact CG1-CD2 4.32Å; V218-F220 HydrophobicContact CG1-CE2 3.96Å; V218-F220 HydrophobicContact CG1-CZ 4.48Å
219E92.3Very high77.7Confident42 Ų4269.5 Ų69.520%0.19636%0.362CS..EExtended strand (participates in β ladder)trans-101120.3175.4166.3178.9-161.200110.3K21 W89 G138 M139 M217K21-E219 HydrophobicContact CB-CB 3.97Å; K21-E219 HydrophobicContact CB-CG 4.4Å; K21-E219 HydrophobicContact CD-CB 4.18Å; K21-E219 HydrophobicContact CD-CG 4.33Å; K21-E219 WeakPolarHBondContact CD-OE2 3.4Å; K21-E219 PolarHBondContact N-O 3.03Å; K21-E219 IonicContact NZ-OE2 3.34Å; K21-E219 PolarHBondContact NZ-OE2 2.83Å; K21-E219 PolarHBondContact O-N 3.22Å; W89-E219 HydrophobicContact CH2-CG 4.19Å; W89-E219 HydrophobicContact CZ2-CG 4.37Å; G138-E219 WeakPolarHBondContact O-CA 3.37Å; M139-E219 HydrophobicContact CG-CB 3.98Å; M139-E219 HydrophobicContact CG-CG 4.26Å; M217-E219 HydrophobicContact SD-CB 4.37Å
220F90.9Very high77.6Confident0 Ų066.1 Ų66.10%035%0.353CS..EExtended strand (participates in β ladder)trans-90.3138.5175.3-69.7-104.9000110.2L20 V126 L128 F135 R136 G138 H140 V218L20-F220 HydrophobicContact CD2-CD1 3.38Å; L20-F220 HydrophobicContact CD2-CE1 3.56Å; L20-F220 HydrophobicContact CD2-CG 3.93Å; L20-F220 HydrophobicContact CD2-CZ 4.25Å; V126-F220 HydrophobicContact CG1-CZ 3.94Å; L128-F220 HydrophobicContact CD2-CE1 3.83Å; F135-F220 HydrophobicContact CE1-CD1 4.04Å; F135-F220 HydrophobicContact CZ-CD1 4.13Å; R136-F220 HydrophobicContact CB-CB 4.45Å; R136-F220 HydrophobicContact CB-CD1 3.68Å; R136-F220 HydrophobicContact CB-CD2 4.25Å; R136-F220 HydrophobicContact CB-CE1 3.9Å; R136-F220 HydrophobicContact CB-CE2 4.44Å; R136-F220 HydrophobicContact CB-CG 3.88Å; R136-F220 HydrophobicContact CB-CZ 4.28Å; R136-F220 WeakPolarHBondContact O-CB 3.22Å; G138-F220 PolarHBondContact N-O 3.36Å; G138-F220 PolarHBondContact O-N 3.49Å; H140-F220 HydrophobicContact CB-CE2 4.47Å; H140-F220 AromaticContact CD2-CD2 3.54Å; H140-F220 AromaticContact CD2-CE2 3.93Å; V218-F220 HydrophobicContact CB-CE2 4.39Å; V218-F220 HydrophobicContact CG1-CD2 4.32Å; V218-F220 HydrophobicContact CG1-CE2 3.96Å; V218-F220 HydrophobicContact CG1-CZ 4.48Å
221P85.4Confident78Confident18 Ų1864.4 Ų64.412%0.11733%0.333CS..PPolyproline II helixtrans-66.4156-172.827.5-35.9000112.4Q19 W89 Y96 F135Q19-P221 WeakPolarHBondContact O-CD 3.37Å; Q19-P221 VanDerWaalsContact O-CG 3.26Å; Q19-P221 WeakPolarHBondContact O-CG 3.31Å; W89-P221 HydrophobicContact CH2-CB 4.07Å; W89-P221 HydrophobicContact CZ3-CB 4Å; W89-P221 HydrophobicContact CZ3-CG 4.47Å; Y96-P221 WeakPolarHBondContact OH-CG 3.42Å; F135-P221 HydrophobicContact CE1-CG 4.14Å
222R79.1Confident78.4Confident88 Ų8864.1 Ų64.133%0.33233%0.331SS..  trans-120135.5170.8-65.2178.6177.9-161.7-7108.1Q137 K224 E230Q137-R222 HydrophobicContact CB-CG 4.14Å; R222-K224 PolarHBondContact O-N 3.46Å; R222-E230 IonicContact CZ-OE2 2.68Å; R222-E230 IonicContact NE-OE2 2.94Å; R222-E230 IonicContact NH1-OE1 3.27Å; R222-E230 PolarHBondContact NH1-OE1 3.24Å; R222-E230 IonicContact NH1-OE2 2.63Å; R222-E230 PolarHBondContact NH1-OE2 3.31Å
223V78.1Confident78.9Confident28 Ų2857.1 Ų57.117%0.1729%0.293CS..BIsolated β-bridgetrans-80.5118.2177.5-1780000108.3L14 Y231 I233L14-V223 HydrophobicContact CD1-CG2 4.38Å; V223-Y231 PolarHBondContact O-N 3.03Å; V223-I233 HydrophobicContact CG2-CD1 3.67Å; V223-I233 HydrophobicContact CG2-CG1 3.63Å
224K73.1Confident79.3Confident144 Ų14455.6 Ų55.663%0.62629%0.289SS*.  trans-117.9126.1175.1-63.6-175.6179.4-175.30108.7R222 E230R222-K224 PolarHBondContact O-N 3.46Å; K224-E230 WeakPolarHBondContact CE-OE1 3.4Å; K224-E230 HydrophobicContact CG-CG 4.34Å; K224-E230 IonicContact NZ-OE1 2.68Å
225T58.1Low79.3Confident77 Ų7757.5 Ų57.547%0.47230%0.296SS..  trans-111.897.4172.640.70000108.9E227 K228 Y231T225-E227 PolarHBondContact O-N 3.17Å; T225-K228 PolarHBondContact O-N 3.48Å; T225-Y231 WeakPolarHBondContact OG1-CE2 3.42Å
226G65.3Low79.1Confident79 Ų7961.4 Ų61.481%0.81431%0.311SS*.THydrogen-bonded Turntrans50.4-130.7174.400000114.3K228G226-K228 VanDerWaalsContact C-N 3.3Å; G226-K228 PolarHBondContact O-N 3.23Å
227E56Low78.3Confident208 Ų20867 Ų6797%0.97234%0.337SS*.THydrogen-bonded Turntrans-8316.7-174.1-62.2-174.8160.100115.1T225T225-E227 PolarHBondContact O-N 3.17Å
228K56.7Low77.2Confident155 Ų15572 Ų7267%0.67436%0.358SS*.SBendtrans-123.2163.1-175.8-93-175.7-175.4177.90113.4T225 G226T225-K228 PolarHBondContact O-N 3.48Å; G226-K228 VanDerWaalsContact C-N 3.3Å; G226-K228 PolarHBondContact O-N 3.23Å
229P63.7Low75.9Confident70 Ų7076.9 Ų76.946%0.45539%0.385SS..PPolyproline II helixtrans-62.3158.9-162.122.5-34.3000114.9N7 Y231N7-P229 VanDerWaalsContact ND2-CG 3.31Å; N7-P229 WeakPolarHBondContact ND2-CG 3.45Å; P229-Y231 WeakPolarHBondContact O-CD2 3.32Å; P229-Y231 WeakPolarHBondContact O-CE2 3.43Å; P229-Y231 PolarHBondContact O-N 3.46Å
230E71.4Confident74.1Confident80 Ų8077.4 Ų77.437%0.37440%0.401SS..PPolyproline II helixtrans-61.1130.9178.1-59.9-174.3149.200111.3R222 K224R222-E230 IonicContact CZ-OE2 2.68Å; R222-E230 IonicContact NE-OE2 2.94Å; R222-E230 IonicContact NH1-OE1 3.27Å; R222-E230 PolarHBondContact NH1-OE1 3.24Å; R222-E230 IonicContact NH1-OE2 2.63Å; R222-E230 PolarHBondContact NH1-OE2 3.31Å; K224-E230 WeakPolarHBondContact CE-OE1 3.4Å; K224-E230 HydrophobicContact CG-CG 4.34Å; K224-E230 IonicContact NZ-OE1 2.68Å
231Y81.3Confident72.2Confident54 Ų5485.5 Ų85.521%0.21244%0.444CS..BIsolated β-bridgetrans-97.1137.4178.8-68.3-103.8000111.2N7 V9 Q137 V223 T225 P229N7-Y231 HydrophobicContact CB-CD1 3.69Å; N7-Y231 HydrophobicContact CB-CE1 3.78Å; N7-Y231 HydrophobicContact CB-CG 4.25Å; V9-Y231 HydrophobicContact CG2-CD1 3.81Å; V9-Y231 HydrophobicContact CG2-CG 4.08Å; Q137-Y231 PolarHBondContact NE2-O 3.03Å; V223-Y231 PolarHBondContact O-N 3.03Å; T225-Y231 WeakPolarHBondContact OG1-CE2 3.42Å; P229-Y231 WeakPolarHBondContact O-CD2 3.32Å; P229-Y231 WeakPolarHBondContact O-CE2 3.43Å; P229-Y231 PolarHBondContact O-N 3.46Å
232S83.2Confident70.5Confident19 Ų1990.5 Ų90.513%0.13347%0.47CS..EExtended strand (participates in β ladder)trans-83.1135.3170.2-64.10000110.8N7 Y8 V9N7-S232 PolarHBondContact O-N 3.36Å; Y8-S232 CarbonylContact C-O 3.39Å; Y8-S232 WeakPolarHBondContact CA-O 3.32Å; Y8-S232 VanDerWaalsContact CB-O 3.29Å; Y8-S232 WeakPolarHBondContact CB-O 3.49Å; V9-S232 PolarHBondContact N-O 3.08Å
233I88.4Confident68.7Low0 Ų091.2 Ų91.20%050%0.495CS..EExtended strand (participates in β ladder)trans-87126.6173.8-51.4171.9000107.9V9 L14 Y96 F135 V223V9-I233 CarbonylContact O-C 3.36Å; V9-I233 WeakPolarHBondContact O-CA 3.37Å; L14-I233 HydrophobicContact CD1-CB 4.35Å; L14-I233 HydrophobicContact CD1-CD1 3.77Å; L14-I233 HydrophobicContact CD1-CG1 3.74Å; L14-I233 HydrophobicContact CD1-CG2 3.79Å; Y96-I233 HydrophobicContact CD1-CD1 3.97Å; Y96-I233 HydrophobicContact CD1-CG2 4.4Å; Y96-I233 HydrophobicContact CE1-CD1 3.45Å; Y96-I233 VanDerWaalsContact CE1-CD1 3.45Å; F135-I233 HydrophobicContact CB-CB 3.72Å; F135-I233 HydrophobicContact CB-CG2 4.16Å; F135-I233 HydrophobicContact CD1-CD1 4.13Å; F135-I233 HydrophobicContact CG-CB 4.45Å; F135-I233 HydrophobicContact CG-CD1 4.46Å; F135-I233 PolarHBondContact N-O 3.26Å; V223-I233 HydrophobicContact CG2-CD1 3.67Å; V223-I233 HydrophobicContact CG2-CG1 3.63Å
234V88.1Confident66.8Low31 Ų3195.1 Ų95.119%0.18852%0.523CS..EExtended strand (participates in β ladder)trans-117.2130.5179.9178.20000108.6F6 Y8 V9 Y10 S11 Y236F6-V234 HydrophobicContact CE1-CG2 4.44Å; Y8-V234 HydrophobicContact CD2-CB 4.32Å; Y8-V234 HydrophobicContact CD2-CG2 4.15Å; Y8-V234 HydrophobicContact CG-CG2 4.18Å; V9-V234 PolarHBondContact O-N 2.88Å; Y10-V234 CarbonylContact C-O 3.08Å; Y10-V234 VanDerWaalsContact CA-O 3.3Å; Y10-V234 WeakPolarHBondContact CA-O 3.25Å; Y10-V234 HydrophobicContact CD1-CB 4.45Å; S11-V234 PolarHBondContact N-O 2.64Å; V234-Y236 PolarHBondContact O-N 2.88Å
235Y88.1Confident65.5Low51 Ų5194.1 Ų94.120%0.253%0.532CS..  trans-61.3128.1175.6174.1-101.6000110.3S11 L99 Q101 F129 G133 E237S11-Y235 WeakPolarHBondContact OG-CA 3.47Å; L99-Y235 WeakPolarHBondContact O-CE2 3.35Å; Q101-Y235 HydrophobicContact CB-CD1 3.87Å; Q101-Y235 HydrophobicContact CB-CD2 4.37Å; Q101-Y235 HydrophobicContact CB-CE1 3.73Å; Q101-Y235 HydrophobicContact CB-CE2 4.27Å; Q101-Y235 HydrophobicContact CB-CG 4.17Å; Q101-Y235 HydrophobicContact CG-CD1 4.14Å; Q101-Y235 HydrophobicContact CG-CE1 4.43Å; Q101-Y235 HydrophobicContact CG-CG 4.44Å; F129-Y235 HydrophobicContact CE2-CD2 4.28Å; F129-Y235 HydrophobicContact CZ-CD2 4.17Å; G133-Y235 WeakPolarHBondContact O-CB 3.47Å; G133-Y235 PolarHBondContact O-N 3.17Å; Y235-E237 PolarHBondContact OH-OE2 3.34Å
236Y85.6Confident64.6Low115 Ų11596.9 Ų96.945%0.45155%0.548SS..  trans-152.8134169.9-178.7-100.9000108.4Y10 S11 C12 V234 K238Y10-Y236 HydrophobicContact CD1-CD1 4.45Å; Y10-Y236 AromaticContact CD1-CG 3.87Å; Y10-Y236 HydrophobicContact CD1-CG 3.87Å; Y10-Y236 HydrophobicContact CD2-CD1 4.45Å; Y10-Y236 HydrophobicContact CE1-CD2 4.3Å; Y10-Y236 HydrophobicContact CE1-CG 4.11Å; Y10-Y236 HydrophobicContact CG-CD1 4.25Å; Y10-Y236 HydrophobicContact CG-CG 4.13Å; S11-Y236 PolarHBondContact OG-N 2.84Å; S11-Y236 VanDerWaalsContact OG-N 3.08Å; S11-Y236 PolarHBondContact OG-O 3.47Å; C12-Y236 WeakPolarHBondContact CB-O 3.48Å; V234-Y236 PolarHBondContact O-N 2.88Å; Y236-K238 HydrophobicContact CE1-CB 4.16Å; Y236-K238 HydrophobicContact CE1-CG 4.43Å
237E76.2Confident63.4Low117 Ų117101.2 Ų101.255%0.54755%0.552SS.*  trans-112.5115.6179.5-172.5167.2-172.600107.7Y235Y235-E237 PolarHBondContact OH-OE2 3.34Å
238K67.8Low62.6Low135 Ų13597.9 Ų97.959%0.58755%0.546SS*.THydrogen-bonded Turntrans-84.4127.7-178.7-165.2-178.9176.1-1780108Y236 G240Y236-K238 HydrophobicContact CE1-CB 4.16Å; Y236-K238 HydrophobicContact CE1-CG 4.43Å; K238-G240 PolarHBondContact O-N 2.71Å
239D64.6Low62Low104 Ų10496.1 Ų96.156%0.55655%0.553SS**THydrogen-bonded Turntrans63.132.5176.5-44.4-39000114.5D241 D242D239-D241 PolarHBondContact O-N 2.92Å; D239-D242 HydrophobicContact CB-CB 4.31Å; D239-D242 PolarHBondContact O-N 3.45Å
240G54.2Low61Low53 Ų5397.4 Ų97.455%0.54657%0.569SS.*THydrogen-bonded Turntrans-58.7-9.8-178.300000116.3K238K238-G240 PolarHBondContact O-N 2.71Å
241D51.4Low59.5Low169 Ų169101.5 Ų101.590%0.90459%0.594SS**THydrogen-bonded Turntrans-99.8-7.1175.2-69.8-40.2000113.7D239D239-D241 PolarHBondContact O-N 2.92Å
242D49.3Very low57.9Low123 Ų123106.7 Ų106.766%0.65862%0.624SS**SBendtrans-104.8124.5-174.5-80.2-32.7000113.2D239 S244D239-D242 HydrophobicContact CB-CB 4.31Å; D239-D242 PolarHBondContact O-N 3.45Å; D242-S244 PolarHBondContact O-N 3.11Å
243A42.1Very low55.9Low104 Ų104111.6 Ų111.686%0.8665%0.652SS**  trans-74.5104.3177.500000111.4
244S38.8Very low53.8Low109 Ų109121.5 Ų121.576%0.76270%0.695SS**PPolyproline II helixtrans-74.1136174.6-84.90000113.1D242D242-S244 PolarHBondContact O-N 3.11Å
245P45.4Very low51.8Low123 Ų123125.4 Ų125.480%0.79972%0.719SS**PPolyproline II helixtrans-80.1129.8171.931-30.3000111
246V38.7Very low49.6Very low135 Ų135128.6 Ų128.682%0.81875%0.746SS**PPolyproline II helixtrans-86134.7-179.7177.90000110.9
247L39.6Very low47.9Very low171 Ų171127.3 Ų127.390%0.89575%0.747SS**PPolyproline II helixtrans-72.7132.5172.9-82.7154000111.9
248T40.7Very low46.6Very low137 Ų137127.5 Ų127.584%0.8476%0.758SS**  trans-102.994.4177.546.10000111.7
249S44.4Very low45.8Very low119 Ų119126.7 Ų126.783%0.83276%0.757SS**  trans-171.8127.3148.2570000110.8
250A42Very low45.1Very low96 Ų96129.5 Ų129.579%0.79377%0.768SS**  trans-124132.1167.600000109.1
251D40.7Very low44.7Very low166 Ų166133.2 Ų133.289%0.88879%0.785SS**  trans-79.4138.3172.4-75.9-39.1000110.9
252I46.1Very low44.6Very low164 Ų164130.8 Ų130.884%0.84177%0.769SS**  trans-82.7125.3-173.8-61.8170.4000110.5
253V41.8Very low45Very low121 Ų121131.3 Ų131.373%0.73377%0.768SS**  trans-125.6135.6164.3178.30000108.9V255V253-V255 HydrophobicContact CG1-CG2 4.25Å
254K43.4Very low46.2Very low208 Ų208129.9 Ų129.990%0.90475%0.746SS**  trans-82.2119.3173.2-76.7-177176.6179.90110.3
255V47.1Very low47.5Very low113 Ų113131 Ų13169%0.68574%0.742SS**  trans-123.5144.6173.2-174.10000107.6V253 D257V253-V255 HydrophobicContact CG1-CG2 4.25Å; V255-D257 PolarHBondContact O-N 3.29Å
256P42.7Very low48.6Very low118 Ų118130.5 Ų130.577%0.76674%0.737SS**  trans-58.3129.6169.9-17.630.4000109.3P258P256-P258 WeakPolarHBondContact O-CD 3.5Å
257D48.8Very low49.8Very low88 Ų88128.4 Ų128.447%0.47172%0.718SS.*  trans-97.999.8-167-1748.2000112.9V255 Q259V255-D257 PolarHBondContact O-N 3.29Å; D257-Q259 PolarHBondContact O-N 3.35Å; D257-Q259 VanDerWaalsContact OD1-CA 3.26Å; D257-Q259 WeakPolarHBondContact OD1-CA 3.44Å; D257-Q259 WeakPolarHBondContact OD1-CB 3.44Å; D257-Q259 WeakPolarHBondContact OD1-CG 3.46Å; D257-Q259 PolarHBondContact OD1-N 3.15Å
258P50.2Low51.2Low121 Ų121121.1 Ų121.179%0.78668%0.682SS**THydrogen-bonded Turntrans-71.8-1.7171.229.9-35.1000113.7P256P256-P258 WeakPolarHBondContact O-CD 3.5Å
259Q50.8Low52.6Low118 Ų118121.2 Ų121.255%0.55167%0.67SS**THydrogen-bonded Turntrans-97.53.3-177.6-46.4175.5-31.600113.7D257 C261 M262D257-Q259 PolarHBondContact O-N 3.35Å; D257-Q259 VanDerWaalsContact OD1-CA 3.26Å; D257-Q259 WeakPolarHBondContact OD1-CA 3.44Å; D257-Q259 WeakPolarHBondContact OD1-CB 3.44Å; D257-Q259 WeakPolarHBondContact OD1-CG 3.46Å; D257-Q259 PolarHBondContact OD1-N 3.15Å; Q259-C261 PolarHBondContact O-N 3.07Å; Q259-M262 HydrophobicContact CB-CB 4.39Å; Q259-M262 PolarHBondContact O-N 3.47Å
260M49.4Very low53.8Low163 Ų163121.2 Ų121.280%0.80366%0.657SS**THydrogen-bonded Turntrans-54.5-13.3178.5-111.4-174.272.200114.6
261C45.2Very low55.1Low131 Ų131117.8 Ų117.889%0.88562%0.624SS**THydrogen-bonded Turntrans-118.712.6176.9-55.60000114.1Q259Q259-C261 PolarHBondContact O-N 3.07Å
262M50.4Low56.5Low119 Ų119114.9 Ų114.959%0.58660%0.604SS**SBendtrans-103.7154.9177.3-64.9-17170.400111.6L71 Q259 N264L71-M262 HydrophobicContact CD2-CE 4.39Å; Q259-M262 HydrophobicContact CB-CB 4.39Å; Q259-M262 PolarHBondContact O-N 3.47Å; M262-N264 PolarHBondContact O-N 2.97Å
263E56.5Low57.6Low134 Ų134112.6 Ų112.663%0.62659%0.593SS**  trans-62.7126.9177.4-171.8-174.3167.200110.8L265 S268E263-L265 PolarHBondContact O-N 3.24Å; E263-S268 VanDerWaalsContact OE1-CB 3.26Å; E263-S268 WeakPolarHBondContact OE1-CB 3.39Å; E263-S268 PolarHBondContact OE1-OG 3.21Å
264N68.3Low58.7Low74 Ų74109.6 Ų109.640%0.39658%0.581SS.*  trans-72.599.4174.6-174.8-17.3000109.9M262 V266 E267 S268M262-N264 PolarHBondContact O-N 2.97Å; N264-V266 PolarHBondContact O-N 3.28Å; N264-V266 WeakPolarHBondContact OD1-CB 3.5Å; N264-V266 PolarHBondContact OD1-N 2.97Å; N264-E267 HydrophobicContact CB-CB 4.05Å; N264-E267 HydrophobicContact CB-CG 4.25Å; N264-E267 WeakPolarHBondContact ND2-CG 3.2Å; N264-E267 PolarHBondContact ND2-OE1 3.18Å; N264-E267 PolarHBondContact O-N 3.17Å; N264-E267 PolarHBondContact OD1-N 2.93Å; N264-S268 PolarHBondContact O-N 2.76Å
265L65.5Low60.2Low131 Ų131100.2 Ų100.269%0.68654%0.54SS*.Hα-helixtrans-61.3-29.2-178.4-61.8178.6000113.2E263 K269E263-L265 PolarHBondContact O-N 3.24Å; L265-K269 VanDerWaalsContact O-CB 3.3Å; L265-K269 WeakPolarHBondContact O-CB 3.43Å; L265-K269 PolarHBondContact O-N 2.94Å
266V67.7Low61.1Low113 Ų11396.8 Ų96.869%0.68552%0.521SS*.Hα-helixtrans-69.2-45.7177179.10000110N264 K269 H270N264-V266 PolarHBondContact O-N 3.28Å; N264-V266 WeakPolarHBondContact OD1-CB 3.5Å; N264-V266 PolarHBondContact OD1-N 2.97Å; V266-K269 PolarHBondContact O-N 3.41Å; V266-H270 WeakPolarHBondContact O-CB 3.43Å; V266-H270 PolarHBondContact O-N 2.93Å
267E65.4Low61.6Low91 Ų9196.2 Ų96.243%0.42551%0.511SS..Hα-helixtrans-64.8-44.4174.2-75.7179.1-140.300111.5N264 K269 H270 H271 S310N264-E267 HydrophobicContact CB-CB 4.05Å; N264-E267 HydrophobicContact CB-CG 4.25Å; N264-E267 WeakPolarHBondContact ND2-CG 3.2Å; N264-E267 PolarHBondContact ND2-OE1 3.18Å; N264-E267 PolarHBondContact O-N 3.17Å; N264-E267 PolarHBondContact OD1-N 2.93Å; E267-K269 VanDerWaalsContact C-N 3.29Å; E267-K269 PolarHBondContact O-N 2.68Å; E267-H270 PolarHBondContact O-N 2.73Å; E267-H270 VanDerWaalsContact O-N 3.14Å; E267-H271 VanDerWaalsContact O-CB 3.24Å; E267-H271 WeakPolarHBondContact O-CB 3.49Å; E267-H271 PolarHBondContact O-N 3.39Å; E267-S310 PolarHBondContact OE2-OG 2.95Å
268S67.7Low61.8Low19 Ų19103.2 Ų103.213%0.13353%0.531CS..Hα-helixtrans-58.6-40.2176.5-169.10000111.8E263 N264 K272E263-S268 VanDerWaalsContact OE1-CB 3.26Å; E263-S268 WeakPolarHBondContact OE1-CB 3.39Å; E263-S268 PolarHBondContact OE1-OG 3.21Å; N264-S268 PolarHBondContact O-N 2.76Å; S268-K272 WeakPolarHBondContact O-CB 3.2Å; S268-K272 VanDerWaalsContact O-CG 3.29Å; S268-K272 WeakPolarHBondContact O-CG 3.42Å; S268-K272 PolarHBondContact O-N 3.29Å; S268-K272 VanDerWaalsContact O-N 3.13Å
269K70.4Confident62Low139 Ų139100.9 Ų100.960%0.60452%0.517SS*.Hα-helixtrans-67.3-47.4173-177.8179.8176.8-179.10111.7L265 V266 E267 H271 K272 L273L265-K269 VanDerWaalsContact O-CB 3.3Å; L265-K269 WeakPolarHBondContact O-CB 3.43Å; L265-K269 PolarHBondContact O-N 2.94Å; V266-K269 PolarHBondContact O-N 3.41Å; E267-K269 VanDerWaalsContact C-N 3.29Å; E267-K269 PolarHBondContact O-N 2.68Å; K269-H271 VanDerWaalsContact C-N 3.33Å; K269-H271 PolarHBondContact O-N 3.46Å; K269-K272 PolarHBondContact O-N 3.46Å; K269-L273 HydrophobicContact CG-CD1 3.97Å; K269-L273 VanDerWaalsContact O-CG 3.29Å; K269-L273 WeakPolarHBondContact O-CG 3.39Å; K269-L273 PolarHBondContact O-N 2.83Å
270H69.4Low62.5Low119 Ų11997 Ų9755%0.55151%0.509SS*.Hα-helixtrans-57.4-47.5178.1-178-86.9000111.1V266 E267 K272 L273 A274 D314V266-H270 WeakPolarHBondContact O-CB 3.43Å; V266-H270 PolarHBondContact O-N 2.93Å; E267-H270 PolarHBondContact O-N 2.73Å; E267-H270 VanDerWaalsContact O-N 3.14Å; H270-K272 PolarHBondContact O-N 3.48Å; H270-L273 PolarHBondContact O-N 2.81Å; H270-L273 VanDerWaalsContact O-N 3.14Å; H270-A274 WeakPolarHBondContact O-CB 3.26Å; H270-A274 PolarHBondContact O-N 2.64Å; H270-D314 IonicContact CE1-OD2 3.58Å; H270-D314 IonicContact ND1-OD2 3.63Å
271H70.3Confident62.6Low23 Ų2395 Ų9511%0.10651%0.508CS..Hα-helixtrans-59.3-48.5178.8-160.790.5000112E267 K269 L273 A274 R275 D314E267-H271 VanDerWaalsContact O-CB 3.24Å; E267-H271 WeakPolarHBondContact O-CB 3.49Å; E267-H271 PolarHBondContact O-N 3.39Å; K269-H271 VanDerWaalsContact C-N 3.33Å; K269-H271 PolarHBondContact O-N 3.46Å; H271-L273 PolarHBondContact O-N 2.94Å; H271-A274 PolarHBondContact O-N 3.01Å; H271-R275 PolarHBondContact CE1-NE 3.01Å; H271-R275 VanDerWaalsContact CE1-NE 3.29Å; H271-R275 PolarHBondContact CE1-NH1 3.38Å; H271-R275 PolarHBondContact CE1-NH2 2.93Å; H271-R275 PolarHBondContact ND1-NE 3.3Å; H271-R275 PolarHBondContact NE2-NE 3.37Å; H271-R275 PolarHBondContact NE2-NH1 2.89Å; H271-R275 PolarHBondContact NE2-NH2 3.44Å; H271-R275 VanDerWaalsContact O-CB 3.24Å; H271-R275 WeakPolarHBondContact O-CB 3.4Å; H271-R275 WeakPolarHBondContact O-CG 3.29Å; H271-R275 PolarHBondContact O-N 3.19Å; H271-D314 IonicContact CE1-OD1 3.5Å; H271-D314 IonicContact CG-OD1 3.77Å; H271-D314 IonicContact ND1-OD1 3.59Å; H271-D314 PolarHBondContact ND1-OD1 3.3Å
272K70Confident63.2Low105 Ų10593.5 Ų93.546%0.45750%0.499SS..Hα-helixtrans-61.7-32.4176.4-75.1170.4-177.8160.10112.9S268 K269 H270 S276 L341S268-K272 WeakPolarHBondContact O-CB 3.2Å; S268-K272 VanDerWaalsContact O-CG 3.29Å; S268-K272 WeakPolarHBondContact O-CG 3.42Å; S268-K272 PolarHBondContact O-N 3.29Å; S268-K272 VanDerWaalsContact O-N 3.13Å; K269-K272 PolarHBondContact O-N 3.46Å; H270-K272 PolarHBondContact O-N 3.48Å; K272-S276 WeakPolarHBondContact O-CA 3.36Å; K272-S276 PolarHBondContact O-N 2.92Å; K272-L341 HydrophobicContact CG-CD1 4.46Å
273L69.1Low63.9Low116 Ų11689.3 Ų89.361%0.60748%0.479SS*.Hα-helixtrans-77.6-46.8177.1-70.2171.7000111.9K269 H270 H271 R275 S276K269-L273 HydrophobicContact CG-CD1 3.97Å; K269-L273 VanDerWaalsContact O-CG 3.29Å; K269-L273 WeakPolarHBondContact O-CG 3.39Å; K269-L273 PolarHBondContact O-N 2.83Å; H270-L273 PolarHBondContact O-N 2.81Å; H270-L273 VanDerWaalsContact O-N 3.14Å; H271-L273 PolarHBondContact O-N 2.94Å; L273-R275 PolarHBondContact O-N 2.83Å; L273-S276 VanDerWaalsContact O-CB 3.31Å; L273-S276 WeakPolarHBondContact O-CB 3.41Å; L273-S276 PolarHBondContact O-N 2.76Å
274A65.1Low64.6Low58 Ų5888.8 Ų88.848%0.47948%0.476SS..Hα-helixtrans-63-31.317900000112.4H270 H271H270-A274 WeakPolarHBondContact O-CB 3.26Å; H270-A274 PolarHBondContact O-N 2.64Å; H271-A274 PolarHBondContact O-N 3.01Å
275R74.2Confident64.9Low12 Ų1291.4 Ų91.45%0.04549%0.49CS..THydrogen-bonded Turntrans-101.56.5-178.9-57.3-177.5177.6-159.5-3.4114H271 L273 L277 Q313 D314 W317 C336 E344H271-R275 PolarHBondContact CE1-NE 3.01Å; H271-R275 VanDerWaalsContact CE1-NE 3.29Å; H271-R275 PolarHBondContact CE1-NH1 3.38Å; H271-R275 PolarHBondContact CE1-NH2 2.93Å; H271-R275 PolarHBondContact ND1-NE 3.3Å; H271-R275 PolarHBondContact NE2-NE 3.37Å; H271-R275 PolarHBondContact NE2-NH1 2.89Å; H271-R275 PolarHBondContact NE2-NH2 3.44Å; H271-R275 VanDerWaalsContact O-CB 3.24Å; H271-R275 WeakPolarHBondContact O-CB 3.4Å; H271-R275 WeakPolarHBondContact O-CG 3.29Å; H271-R275 PolarHBondContact O-N 3.19Å; L273-R275 PolarHBondContact O-N 2.83Å; R275-L277 PolarHBondContact O-N 3.07Å; R275-L277 VanDerWaalsContact O-N 3.15Å; R275-Q313 PolarHBondContact NH2-O 3.16Å; R275-D314 IonicContact CZ-OD1 2.79Å; R275-D314 IonicContact NE-OD1 3.69Å; R275-D314 PolarHBondContact NE-OD1 2.96Å; R275-D314 IonicContact NH2-OD1 3.17Å; R275-D314 PolarHBondContact NH2-OD1 3.17Å; R275-W317 HydrophobicContact CG-CG 4Å; R275-C336 PolarHBondContact NH1-O 3.24Å; R275-C336 PolarHBondContact NH2-O 2.78Å; R275-E344 WeakPolarHBondContact CD-OE1 3.37Å; R275-E344 IonicContact NH1-OE2 3.59Å; R275-E344 PolarHBondContact NH1-OE2 3.2Å
276S65.1Low65.6Low41 Ų4187.8 Ų87.829%0.28747%0.471SS..  trans-54121-175.3-179.60000111.4K272 L273 R278 S279K272-S276 WeakPolarHBondContact O-CA 3.36Å; K272-S276 PolarHBondContact O-N 2.92Å; L273-S276 VanDerWaalsContact O-CB 3.31Å; L273-S276 WeakPolarHBondContact O-CB 3.41Å; L273-S276 PolarHBondContact O-N 2.76Å; S276-R278 PolarHBondContact O-N 3.33Å; S276-S279 PolarHBondContact O-N 3.15Å; S276-S279 VanDerWaalsContact O-N 3.12Å
277L54.8Low66.4Low106 Ų10690.8 Ų90.856%0.55548%0.475SS*.THydrogen-bonded Turntrans-60.6-0.7179.2-69.2160.8000114.3R275 S279R275-L277 PolarHBondContact O-N 3.07Å; R275-L277 VanDerWaalsContact O-N 3.15Å; L277-S279 VanDerWaalsContact C-N 3.28Å
278R53.1Low67.5Low235 Ų23587.4 Ų87.489%0.88746%0.461SS*.THydrogen-bonded Turntrans-73.3-19.9171.2-69-170.9177.9-152.40.8112.8S276 G280S276-R278 PolarHBondContact O-N 3.33Å; R278-G280 VanDerWaalsContact C-N 3.27Å; R278-G280 PolarHBondContact O-N 3.38Å
279S53.1Low68.7Low72 Ų7291.3 Ų91.350%0.50348%0.48SS..SBendtrans-7681.4167.2-56.70000108.3S276 L277S276-S279 PolarHBondContact O-N 3.15Å; S276-S279 VanDerWaalsContact O-N 3.12Å; L277-S279 VanDerWaalsContact C-N 3.28Å
280G61.8Low69.6Low37 Ų3787.7 Ų87.738%0.38148%0.477SS..  trans-70.9-140.7-177.200000114.3R278 S282 D283R278-G280 VanDerWaalsContact C-N 3.27Å; R278-G280 PolarHBondContact O-N 3.38Å; G280-S282 PolarHBondContact O-N 2.95Å; G280-D283 PolarHBondContact O-N 2.85Å
281P51.4Low70.8Confident121 Ų12185 Ų8579%0.78648%0.475SS*.G310 helixtrans-55.9-8.6-162.716.3-29.5000118.1D283 H284P281-D283 PolarHBondContact O-N 3.02Å; P281-H284 PolarHBondContact O-N 2.91Å
282S58.7Low71.7Confident98 Ų9885 Ų8569%0.68548%0.476SS*.G310 helixtrans-63.9-22176.3-47.80000114.4G280 H284G280-S282 PolarHBondContact O-N 2.95Å; S282-H284 VanDerWaalsContact C-N 3.34Å
283D64.3Low72.7Confident32 Ų3285.2 Ų85.217%0.17147%0.474CS..G310 helixtrans-71.4-25.9179.2-8610.4000113.3G280 P281 D285 L286 R320 Y321G280-D283 PolarHBondContact O-N 2.85Å; P281-D283 PolarHBondContact O-N 3.02Å; D283-D285 VanDerWaalsContact C-N 3.28Å; D283-D285 PolarHBondContact O-N 2.92Å; D283-L286 WeakPolarHBondContact O-CB 3.33Å; D283-L286 PolarHBondContact O-N 3.19Å; D283-R320 IonicContact OD2-CZ 3.77Å; D283-R320 IonicContact OD2-NH1 2.65Å; D283-R320 PolarHBondContact OD2-NH1 3Å; D283-R320 IonicContact OD2-NH2 3.47Å; D283-R320 PolarHBondContact OD2-NH2 3.48Å; D283-Y321 HydrophobicContact CB-CD2 4.14Å; D283-Y321 HydrophobicContact CB-CE2 3.93Å
284H71.2Confident73.8Confident122 Ų12283.4 Ų83.457%0.56547%0.465SS*.THydrogen-bonded Turntrans-68.2-30.3-173.4-168-84000112.5P281 S282 Y321P281-H284 PolarHBondContact O-N 2.91Å; S282-H284 VanDerWaalsContact C-N 3.34Å; H284-Y321 AromaticContact CD2-CD1 3.74Å; H284-Y321 AromaticContact CD2-CE1 4Å
285D74.1Confident75.1Confident130 Ų13086 Ų8670%0.69547%0.467SS*.THydrogen-bonded Turntrans-994.7-178.7-61.3-32000112.9D283 K287D283-D285 VanDerWaalsContact C-N 3.28Å; D283-D285 PolarHBondContact O-N 2.92Å; D285-K287 PolarHBondContact O-N 2.92Å
286L80.6Confident76Confident55 Ų5585.5 Ų85.529%0.28847%0.466SS..  trans-71.1116.1-176.2-157.192.3000110.8D283 K318 F319D283-L286 WeakPolarHBondContact O-CB 3.33Å; D283-L286 PolarHBondContact O-N 3.19Å; L286-K318 HydrophobicContact CD2-CD 4.32Å; L286-K318 HydrophobicContact CD2-CG 3.73Å; L286-F319 HydrophobicContact CD2-CD1 3.71Å; L286-F319 HydrophobicContact CD2-CE1 3.31Å; L286-F319 HydrophobicContact CD2-CE2 4.42Å; L286-F319 HydrophobicContact CD2-CG 4.42Å; L286-F319 HydrophobicContact CD2-CZ 3.73Å; L286-F319 HydrophobicContact CG-CD1 4.35Å; L286-F319 HydrophobicContact CG-CE1 3.83Å
287K85.1Confident77.2Confident175 Ų17586.2 Ų86.276%0.76147%0.466SS*.  trans-109.7134.9175.3-64.3-176-177.21780110.7D285D285-K287 PolarHBondContact O-N 2.92Å
288P88.9Confident79Confident20 Ų2085 Ų8513%0.1346%0.463CS..  trans-68.5146178.328.4-33.6000110.6T292 R293 L296 F319 Y322P288-T292 HydrophobicContact CB-CG2 3.78Å; P288-R293 HydrophobicContact CB-CB 4.27Å; P288-R293 HydrophobicContact CG-CB 4.14Å; P288-L296 HydrophobicContact CB-CD1 4.14Å; P288-L296 HydrophobicContact CG-CD1 4.23Å; P288-F319 VanDerWaalsContact CA-CE1 3.45Å; P288-F319 HydrophobicContact CB-CD1 4.03Å; P288-F319 HydrophobicContact CB-CE1 3.74Å; P288-F319 HydrophobicContact CB-CE2 4.5Å; P288-F319 HydrophobicContact CB-CZ 3.99Å; P288-F319 HydrophobicContact CG-CD1 4.31Å; P288-F319 HydrophobicContact CG-CE1 4.4Å; P288-F319 VanDerWaalsContact N-CE1 3.34Å; P288-Y322 HydrophobicContact CG-CD1 3.92Å; P288-Y322 HydrophobicContact CG-CD2 4.45Å; P288-Y322 HydrophobicContact CG-CE1 3.73Å; P288-Y322 HydrophobicContact CG-CE2 4.28Å; P288-Y322 HydrophobicContact CG-CG 4.28Å
289N91.6Very high80.8Confident101 Ų10174.1 Ų74.154%0.5442%0.422SS..  trans-71.8172.9166.86929.8000110.2A291 T292 R293N289-A291 PolarHBondContact O-N 3.12Å; N289-A291 PolarHBondContact OD1-N 3.26Å; N289-T292 PolarHBondContact O-N 3.09Å; N289-T292 WeakPolarHBondContact OD1-CB 3.45Å; N289-T292 PolarHBondContact OD1-N 3.32Å; N289-T292 PolarHBondContact OD1-OG1 3.37Å; N289-R293 WeakPolarHBondContact O-CB 3.48Å; N289-R293 PolarHBondContact O-N 3.3Å
290A90.6Very high82.6Confident64 Ų6471.4 Ų71.453%0.52940%0.403SS..Hα-helixtrans-56-47.8-175.600000113T292 R293 D294A290-T292 PolarHBondContact O-N 3.01Å; A290-R293 PolarHBondContact O-N 3.44Å; A290-D294 PolarHBondContact O-N 3.03Å
291A92.7Very high83.8Confident62 Ų6275 Ų7551%0.51241%0.414SS..Hα-helixtrans-63.6-44.3-179.900000112.4N289 D294 Q295N289-A291 PolarHBondContact O-N 3.12Å; N289-A291 PolarHBondContact OD1-N 3.26Å; A291-D294 PolarHBondContact O-N 3.42Å; A291-Q295 WeakPolarHBondContact O-CG 3.26Å; A291-Q295 PolarHBondContact O-N 3.19Å
292T90.4Very high85.6Confident22 Ų2271 Ų7114%0.13538%0.383CS..Hα-helixtrans-66.1-37.8177.4-59.30000112P288 N289 A290 D294 Q295 L296 L315 F319P288-T292 HydrophobicContact CB-CG2 3.78Å; N289-T292 PolarHBondContact O-N 3.09Å; N289-T292 WeakPolarHBondContact OD1-CB 3.45Å; N289-T292 PolarHBondContact OD1-N 3.32Å; N289-T292 PolarHBondContact OD1-OG1 3.37Å; A290-T292 PolarHBondContact O-N 3.01Å; T292-D294 VanDerWaalsContact C-N 3.34Å; T292-Q295 PolarHBondContact O-N 2.85Å; T292-L296 HydrophobicContact CG2-CD1 4.24Å; T292-L296 HydrophobicContact CG2-CG 4.46Å; T292-L296 WeakPolarHBondContact O-CB 3.36Å; T292-L296 WeakPolarHBondContact O-CG 3.41Å; T292-L296 PolarHBondContact O-N 3.25Å; T292-L315 HydrophobicContact CG2-CD1 3.89Å; T292-L315 HydrophobicContact CG2-CD2 4.43Å; T292-L315 HydrophobicContact CG2-CG 4.48Å; T292-F319 HydrophobicContact CG2-CD2 4.08Å; T292-F319 HydrophobicContact CG2-CE2 3.47Å; T292-F319 VanDerWaalsContact CG2-CE2 3.47Å; T292-F319 HydrophobicContact CG2-CZ 3.92Å
293R91.5Very high86.9Confident110 Ų11067.2 Ų67.242%0.41536%0.356SS..Hα-helixtrans-62.7-43.6175.5-176.3-163.165.3179.1-2.4110.8P288 N289 A290 Q295 L296 N297P288-R293 HydrophobicContact CB-CB 4.27Å; P288-R293 HydrophobicContact CG-CB 4.14Å; N289-R293 WeakPolarHBondContact O-CB 3.48Å; N289-R293 PolarHBondContact O-N 3.3Å; A290-R293 PolarHBondContact O-N 3.44Å; R293-Q295 VanDerWaalsContact C-N 3.34Å; R293-L296 PolarHBondContact O-N 3.43Å; R293-N297 VanDerWaalsContact O-CG 3.28Å; R293-N297 PolarHBondContact O-N 3.35Å; R293-N297 PolarHBondContact O-ND2 2.9Å
294D91.3Very high87.8Confident79 Ų7966.1 Ų66.142%0.42235%0.351SS..Hα-helixtrans-66.7-38.5179.9-61.5-12.7000110.7A290 A291 T292 N297 V298A290-D294 PolarHBondContact O-N 3.03Å; A291-D294 PolarHBondContact O-N 3.42Å; T292-D294 VanDerWaalsContact C-N 3.34Å; D294-N297 PolarHBondContact O-N 3.37Å; D294-V298 WeakPolarHBondContact O-CG2 3.45Å; D294-V298 PolarHBondContact O-N 3.36Å
295Q92.7Very high88.2Confident112 Ų11262.7 Ų62.752%0.52334%0.338SS..Hα-helixtrans-61.6-45.6170.4-73.4177.9-18.600113A291 T292 R293 N297 V298 I299 L315A291-Q295 WeakPolarHBondContact O-CG 3.26Å; A291-Q295 PolarHBondContact O-N 3.19Å; T292-Q295 PolarHBondContact O-N 2.85Å; R293-Q295 VanDerWaalsContact C-N 3.34Å; Q295-N297 VanDerWaalsContact C-N 3.32Å; Q295-N297 PolarHBondContact O-N 3.3Å; Q295-V298 WeakPolarHBondContact O-CB 3.36Å; Q295-V298 PolarHBondContact O-N 2.82Å; Q295-I299 WeakPolarHBondContact O-CG1 3.48Å; Q295-I299 PolarHBondContact O-N 3.08Å; Q295-L315 HydrophobicContact CB-CD2 4.44Å
296L92.6Very high88.8Confident1 Ų160.4 Ų60.41%0.00532%0.322CS..Hα-helixtrans-60.7-41.7176.3-75.2171.1000111.4P288 T292 R293 V298 I299 V300 L315 V316 F319 L323P288-L296 HydrophobicContact CB-CD1 4.14Å; P288-L296 HydrophobicContact CG-CD1 4.23Å; T292-L296 HydrophobicContact CG2-CD1 4.24Å; T292-L296 HydrophobicContact CG2-CG 4.46Å; T292-L296 WeakPolarHBondContact O-CB 3.36Å; T292-L296 WeakPolarHBondContact O-CG 3.41Å; T292-L296 PolarHBondContact O-N 3.25Å; R293-L296 PolarHBondContact O-N 3.43Å; L296-V298 VanDerWaalsContact C-N 3.3Å; L296-V298 PolarHBondContact O-N 3.26Å; L296-I299 PolarHBondContact O-N 3.39Å; L296-V300 VanDerWaalsContact O-CG2 3.27Å; L296-V300 WeakPolarHBondContact O-CG2 3.46Å; L296-V300 PolarHBondContact O-N 2.86Å; L296-L315 HydrophobicContact CD2-CD2 4.19Å; L296-L315 HydrophobicContact CD2-CG 4.04Å; L296-L315 HydrophobicContact CG-CD2 4.42Å; L296-V316 HydrophobicContact CD2-CG2 4.33Å; L296-F319 HydrophobicContact CD1-CB 3.94Å; L296-F319 HydrophobicContact CD1-CD2 4.02Å; L296-F319 HydrophobicContact CD1-CG 4.01Å; L296-L323 HydrophobicContact CD2-CD1 4.32Å
297N91.6Very high89Confident57 Ų5766.2 Ų66.231%0.30535%0.348SS..Hα-helixtrans-62.9-37.2176.4-72.1-22.6000112.1R293 D294 Q295 N301R293-N297 VanDerWaalsContact O-CG 3.28Å; R293-N297 PolarHBondContact O-N 3.35Å; R293-N297 PolarHBondContact O-ND2 2.9Å; D294-N297 PolarHBondContact O-N 3.37Å; Q295-N297 VanDerWaalsContact C-N 3.32Å; Q295-N297 PolarHBondContact O-N 3.3Å; N297-N301 PolarHBondContact O-N 2.99Å; N297-N301 PolarHBondContact O-ND2 2.92Å
298V90.9Very high89.1Confident80 Ų8058.6 Ų58.649%0.48532%0.315SS..Hα-helixtrans-62.5-46.5173.1169.20000110.6D294 Q295 L296 V300 N301 Y302D294-V298 WeakPolarHBondContact O-CG2 3.45Å; D294-V298 PolarHBondContact O-N 3.36Å; Q295-V298 WeakPolarHBondContact O-CB 3.36Å; Q295-V298 PolarHBondContact O-N 2.82Å; L296-V298 VanDerWaalsContact C-N 3.3Å; L296-V298 PolarHBondContact O-N 3.26Å; V298-V300 PolarHBondContact O-N 3.3Å; V298-N301 PolarHBondContact O-N 3.09Å; V298-Y302 HydrophobicContact CG1-CD1 4.46Å; V298-Y302 HydrophobicContact CG1-CE1 3.5Å; V298-Y302 VanDerWaalsContact CG1-CE1 3.5Å; V298-Y302 WeakPolarHBondContact O-CD1 3.32Å; V298-Y302 VanDerWaalsContact O-CE1 3.26Å; V298-Y302 WeakPolarHBondContact O-CE1 3.48Å; V298-Y302 PolarHBondContact O-N 3.03Å
299I91.9Very high89.2Confident6 Ų660 Ų603%0.03133%0.326CS..Hα-helixtrans-62-43.1178.5-66.3164.8000111.7Q295 L296 N301 Y302 L308 E312 L315 V316Q295-I299 WeakPolarHBondContact O-CG1 3.48Å; Q295-I299 PolarHBondContact O-N 3.08Å; L296-I299 PolarHBondContact O-N 3.39Å; I299-N301 VanDerWaalsContact C-N 3.26Å; I299-N301 PolarHBondContact O-N 2.85Å; I299-Y302 HydrophobicContact CB-CE2 4.37Å; I299-Y302 HydrophobicContact CG1-CE2 4.07Å; I299-Y302 HydrophobicContact CG2-CD2 4.41Å; I299-Y302 VanDerWaalsContact O-CB 3.28Å; I299-Y302 WeakPolarHBondContact O-CB 3.23Å; I299-Y302 PolarHBondContact O-N 3.33Å; I299-Y302 VanDerWaalsContact O-N 3.11Å; I299-L308 HydrophobicContact CG2-CD2 3.67Å; I299-E312 HydrophobicContact CD1-CB 3.99Å; I299-E312 HydrophobicContact CD1-CG 3.91Å; I299-E312 HydrophobicContact CG1-CG 4.22Å; I299-L315 HydrophobicContact CD1-CD2 4.18Å; I299-V316 HydrophobicContact CG2-CG2 3.9Å
300V90.1Very high88.8Confident15 Ų1557.2 Ų57.29%0.09131%0.314CS..Hα-helixtrans-62.4-35.3179.6170.30000111.6L296 V298 Y302 K328 A329L296-V300 VanDerWaalsContact O-CG2 3.27Å; L296-V300 WeakPolarHBondContact O-CG2 3.46Å; L296-V300 PolarHBondContact O-N 2.86Å; V298-V300 PolarHBondContact O-N 3.3Å; V300-Y302 VanDerWaalsContact C-N 3.26Å; V300-Y302 PolarHBondContact O-N 3.18Å; V300-K328 HydrophobicContact CG1-CB 3.71Å; V300-A329 HydrophobicContact CG1-CB 4.41Å; V300-A329 HydrophobicContact CG2-CB 3.69Å
301N87.9Confident88.5Confident114 Ų11462 Ų6261%0.6133%0.325SS*.THydrogen-bonded Turntrans-81.72.9178.2-70.2-38.7000114.1N297 V298 I299N297-N301 PolarHBondContact O-N 2.99Å; N297-N301 PolarHBondContact O-ND2 2.92Å; V298-N301 PolarHBondContact O-N 3.09Å; I299-N301 VanDerWaalsContact C-N 3.26Å; I299-N301 PolarHBondContact O-N 2.85Å
302Y89.3Confident88.4Confident36 Ų3660.8 Ų60.814%0.14131%0.309CS..SBendtrans-63.6141.6175.5-72.3-10.5000112.3V298 I299 V300 K306 L308 E312 K332V298-Y302 HydrophobicContact CG1-CD1 4.46Å; V298-Y302 HydrophobicContact CG1-CE1 3.5Å; V298-Y302 VanDerWaalsContact CG1-CE1 3.5Å; V298-Y302 WeakPolarHBondContact O-CD1 3.32Å; V298-Y302 VanDerWaalsContact O-CE1 3.26Å; V298-Y302 WeakPolarHBondContact O-CE1 3.48Å; V298-Y302 PolarHBondContact O-N 3.03Å; I299-Y302 HydrophobicContact CB-CE2 4.37Å; I299-Y302 HydrophobicContact CG1-CE2 4.07Å; I299-Y302 HydrophobicContact CG2-CD2 4.41Å; I299-Y302 VanDerWaalsContact O-CB 3.28Å; I299-Y302 WeakPolarHBondContact O-CB 3.23Å; I299-Y302 PolarHBondContact O-N 3.33Å; I299-Y302 VanDerWaalsContact O-N 3.11Å; V300-Y302 VanDerWaalsContact C-N 3.26Å; V300-Y302 PolarHBondContact O-N 3.18Å; Y302-K306 HydrophobicContact CD1-CD 3.94Å; Y302-K306 HydrophobicContact CD2-CD 3.54Å; Y302-K306 HydrophobicContact CD2-CG 3.97Å; Y302-K306 HydrophobicContact CE1-CD 4.2Å; Y302-K306 HydrophobicContact CE2-CD 3.82Å; Y302-K306 HydrophobicContact CE2-CG 4.49Å; Y302-K306 VanDerWaalsContact CE2-NZ 3.29Å; Y302-K306 HydrophobicContact CG-CD 3.62Å; Y302-K306 HydrophobicContact CG-CG 4.27Å; Y302-K306 PolarHBondContact OH-NZ 3.03Å; Y302-L308 HydrophobicContact CD2-CD2 3.82Å; Y302-L308 HydrophobicContact CE2-CD2 4.22Å; Y302-E312 WeakPolarHBondContact CE2-OE1 3.39Å; Y302-E312 PolarHBondContact OH-OE1 3Å; Y302-K332 WeakPolarHBondContact O-CE 3.5Å; Y302-K332 PolarHBondContact O-NZ 3.37Å; Y302-K332 VanDerWaalsContact O-NZ 3.07Å
303P85.7Confident88.4Confident18 Ų1861.9 Ų61.912%0.11731%0.313CS..  trans-62152174.626.3-32.8000110.3T305 K306 Q834 L839P303-T305 PolarHBondContact O-N 3.49Å; P303-K306 HydrophobicContact CG-CB 4.08Å; P303-K306 PolarHBondContact O-N 2.72Å; P303-Q834 VanDerWaalsContact CG-NE2 3.33Å; P303-L839 HydrophobicContact CB-CD1 3.93Å; P303-L839 HydrophobicContact CG-CD1 4.48Å
304P83Confident88.1Confident10 Ų1057.6 Ų57.67%0.06530%0.298CS..THydrogen-bonded Turntrans-52.2-31.3-178.3-30.535.7000114.6K335 E365 N805 N809P304-K335 PolarHBondContact O-NZ 3.01Å; P304-E365 HydrophobicContact CB-CG 4.38Å; P304-N805 VanDerWaalsContact CD-OD1 3.28Å; P304-N805 WeakPolarHBondContact CD-OD1 3.28Å; P304-N805 HydrophobicContact CG-CB 4.35Å; P304-N809 WeakPolarHBondContact CB-OD1 3.26Å; P304-N809 WeakPolarHBondContact CG-OD1 3.5Å
305T80.5Confident88Confident49 Ų4955.6 Ų55.630%0.30129%0.287SS..THydrogen-bonded Turntrans-76.3-18.7-17952.90000114.5P303 Q307 V830 Q834P303-T305 PolarHBondContact O-N 3.49Å; T305-Q307 PolarHBondContact O-N 3.09Å; T305-V830 HydrophobicContact CG2-CB 4.17Å; T305-V830 HydrophobicContact CG2-CG1 3.39Å; T305-Q834 PolarHBondContact OG1-NE2 2.94Å; T305-Q834 PolarHBondContact OG1-OE1 2.75Å
306K85.1Confident88Confident82 Ų8250.4 Ų50.436%0.35726%0.263SS..PPolyproline II helixtrans-74.9119.8-177.4179.4163174.2-1780109.7Y302 P303Y302-K306 HydrophobicContact CD1-CD 3.94Å; Y302-K306 HydrophobicContact CD2-CD 3.54Å; Y302-K306 HydrophobicContact CD2-CG 3.97Å; Y302-K306 HydrophobicContact CE1-CD 4.2Å; Y302-K306 HydrophobicContact CE2-CD 3.82Å; Y302-K306 HydrophobicContact CE2-CG 4.49Å; Y302-K306 VanDerWaalsContact CE2-NZ 3.29Å; Y302-K306 HydrophobicContact CG-CD 3.62Å; Y302-K306 HydrophobicContact CG-CG 4.27Å; Y302-K306 PolarHBondContact OH-NZ 3.03Å; P303-K306 HydrophobicContact CG-CB 4.08Å; P303-K306 PolarHBondContact O-N 2.72Å
307Q85.7Confident87.8Confident177 Ų17750.7 Ų50.783%0.82726%0.264SS*.PPolyproline II helixtrans-74.2137.6172.1-66.1-175-8.400110T305T305-Q307 PolarHBondContact O-N 3.09Å
308L88.1Confident87.6Confident15 Ų1553.2 Ų53.28%0.07927%0.273CS..PPolyproline II helixtrans-82.7135177.8-62.3176.5000109.9I299 Y302 E312 Q313 K332I299-L308 HydrophobicContact CG2-CD2 3.67Å; Y302-L308 HydrophobicContact CD2-CD2 3.82Å; Y302-L308 HydrophobicContact CE2-CD2 4.22Å; L308-E312 WeakPolarHBondContact CA-OE2 3.42Å; L308-E312 HydrophobicContact CB-CB 4.33Å; L308-E312 HydrophobicContact CD2-CB 4.46Å; L308-Q313 HydrophobicContact CB-CG 3.6Å; L308-Q313 HydrophobicContact CD1-CG 4.39Å; L308-Q313 PolarHBondContact O-NE2 3.43Å; L308-K332 HydrophobicContact CD1-CB 4.36Å
309S89.4Confident87.6Confident51 Ų5150.1 Ų50.136%0.35725%0.253SS..PPolyproline II helixtrans-66.8159.9171.979.80000111.2E311 E312 Q313S309-E311 PolarHBondContact O-N 2.84Å; S309-E312 PolarHBondContact N-OE2 3.33Å; S309-E312 PolarHBondContact O-N 3.35Å; S309-E312 VanDerWaalsContact O-N 3.11Å; S309-E312 VanDerWaalsContact OG-CG 3.28Å; S309-E312 WeakPolarHBondContact OG-CG 3.37Å; S309-E312 PolarHBondContact OG-N 3.18Å; S309-Q313 WeakPolarHBondContact O-CB 3.28Å; S309-Q313 VanDerWaalsContact O-CG 3.27Å; S309-Q313 WeakPolarHBondContact O-CG 3.33Å; S309-Q313 PolarHBondContact O-N 2.96Å
310S83.4Confident87.6Confident41 Ų4150.3 Ų50.329%0.28725%0.253SS..Hα-helixtrans-56.6-37.2178.4-52.80000112E267 D314E267-S310 PolarHBondContact OE2-OG 2.95Å; S310-D314 VanDerWaalsContact O-CG 3.3Å; S310-D314 PolarHBondContact O-N 3.33Å; S310-D314 VanDerWaalsContact O-N 3.07Å
311E85.2Confident87.6Confident164 Ų16452.1 Ų52.177%0.76626%0.258SS*.Hα-helixtrans-67.7-43.8175.3-63.2-179.6177.800112.7S309 Q313 D314 L315S309-E311 PolarHBondContact O-N 2.84Å; E311-Q313 VanDerWaalsContact C-N 3.34Å; E311-D314 PolarHBondContact O-N 3.04Å; E311-L315 WeakPolarHBondContact O-CB 3.28Å; E311-L315 PolarHBondContact O-N 3.2Å
312E90.6Very high87.7Confident38 Ų3850 Ų5018%0.17824%0.242CC..Hα-helixtrans-64.1-41.5177.3-70.6170.1159.300111.1I299 Y302 L308 S309 L315 V316I299-E312 HydrophobicContact CD1-CB 3.99Å; I299-E312 HydrophobicContact CD1-CG 3.91Å; I299-E312 HydrophobicContact CG1-CG 4.22Å; Y302-E312 WeakPolarHBondContact CE2-OE1 3.39Å; Y302-E312 PolarHBondContact OH-OE1 3Å; L308-E312 WeakPolarHBondContact CA-OE2 3.42Å; L308-E312 HydrophobicContact CB-CB 4.33Å; L308-E312 HydrophobicContact CD2-CB 4.46Å; S309-E312 PolarHBondContact N-OE2 3.33Å; S309-E312 PolarHBondContact O-N 3.35Å; S309-E312 VanDerWaalsContact O-N 3.11Å; S309-E312 VanDerWaalsContact OG-CG 3.28Å; S309-E312 WeakPolarHBondContact OG-CG 3.37Å; S309-E312 PolarHBondContact OG-N 3.18Å; E312-L315 PolarHBondContact O-N 2.96Å; E312-V316 VanDerWaalsContact O-CG2 3.32Å; E312-V316 WeakPolarHBondContact O-CG2 3.45Å; E312-V316 PolarHBondContact O-N 2.85Å
313Q89.9Confident87.8Confident45 Ų4548.3 Ų48.321%0.2124%0.236CC..Hα-helixtrans-60.8-46.1176.4-72.7-177.833.600111.7R275 L308 S309 E311 L315 V316 W317 C336R275-Q313 PolarHBondContact NH2-O 3.16Å; L308-Q313 HydrophobicContact CB-CG 3.6Å; L308-Q313 HydrophobicContact CD1-CG 4.39Å; L308-Q313 PolarHBondContact O-NE2 3.43Å; S309-Q313 WeakPolarHBondContact O-CB 3.28Å; S309-Q313 VanDerWaalsContact O-CG 3.27Å; S309-Q313 WeakPolarHBondContact O-CG 3.33Å; S309-Q313 PolarHBondContact O-N 2.96Å; E311-Q313 VanDerWaalsContact C-N 3.34Å; Q313-L315 VanDerWaalsContact C-N 3.32Å; Q313-L315 PolarHBondContact O-N 3.07Å; Q313-V316 PolarHBondContact O-N 3.26Å; Q313-W317 WeakPolarHBondContact O-CB 3.43Å; Q313-W317 PolarHBondContact O-N 3.5Å; Q313-C336 HydrophobicContact CB-CB 3.79Å; Q313-C336 HydrophobicContact CG-CB 3.82Å
314D86.1Confident88.1Confident20 Ų2048.6 Ų48.611%0.10724%0.237CC..Hα-helixtrans-66.2-35.3177.8-72.6-11.2000111.8H270 H271 R275 S310 E311 W317 K318H270-D314 IonicContact CE1-OD2 3.58Å; H270-D314 IonicContact ND1-OD2 3.63Å; H271-D314 IonicContact CE1-OD1 3.5Å; H271-D314 IonicContact CG-OD1 3.77Å; H271-D314 IonicContact ND1-OD1 3.59Å; H271-D314 PolarHBondContact ND1-OD1 3.3Å; R275-D314 IonicContact CZ-OD1 2.79Å; R275-D314 IonicContact NE-OD1 3.69Å; R275-D314 PolarHBondContact NE-OD1 2.96Å; R275-D314 IonicContact NH2-OD1 3.17Å; R275-D314 PolarHBondContact NH2-OD1 3.17Å; S310-D314 VanDerWaalsContact O-CG 3.3Å; S310-D314 PolarHBondContact O-N 3.33Å; S310-D314 VanDerWaalsContact O-N 3.07Å; E311-D314 PolarHBondContact O-N 3.04Å; D314-W317 PolarHBondContact O-N 3.47Å; D314-K318 VanDerWaalsContact O-CB 3.3Å; D314-K318 WeakPolarHBondContact O-CB 3.44Å; D314-K318 PolarHBondContact O-N 2.99Å
315L89.3Confident88.5Confident37 Ų3752.3 Ų52.319%0.19426%0.26CS..Hα-helixtrans-65.4-45.8174.7-168.666.2000112T292 Q295 L296 I299 E311 E312 Q313 W317 K318 F319T292-L315 HydrophobicContact CG2-CD1 3.89Å; T292-L315 HydrophobicContact CG2-CD2 4.43Å; T292-L315 HydrophobicContact CG2-CG 4.48Å; Q295-L315 HydrophobicContact CB-CD2 4.44Å; L296-L315 HydrophobicContact CD2-CD2 4.19Å; L296-L315 HydrophobicContact CD2-CG 4.04Å; L296-L315 HydrophobicContact CG-CD2 4.42Å; I299-L315 HydrophobicContact CD1-CD2 4.18Å; E311-L315 WeakPolarHBondContact O-CB 3.28Å; E311-L315 PolarHBondContact O-N 3.2Å; E312-L315 PolarHBondContact O-N 2.96Å; Q313-L315 VanDerWaalsContact C-N 3.32Å; Q313-L315 PolarHBondContact O-N 3.07Å; L315-W317 VanDerWaalsContact C-N 3.34Å; L315-K318 PolarHBondContact O-N 3.02Å; L315-F319 HydrophobicContact CD1-CD2 4.03Å; L315-F319 HydrophobicContact CD1-CE2 3.83Å; L315-F319 HydrophobicContact CG-CD2 4.46Å; L315-F319 WeakPolarHBondContact O-CD2 3.44Å; L315-F319 PolarHBondContact O-N 3.12Å
316V91.1Very high89Confident3 Ų352 Ų522%0.01826%0.255CS..Hα-helixtrans-62.1-43.2175.71710000110.6L296 I299 E312 Q313 F319 R320 L323 F333L296-V316 HydrophobicContact CD2-CG2 4.33Å; I299-V316 HydrophobicContact CG2-CG2 3.9Å; E312-V316 VanDerWaalsContact O-CG2 3.32Å; E312-V316 WeakPolarHBondContact O-CG2 3.45Å; E312-V316 PolarHBondContact O-N 2.85Å; Q313-V316 PolarHBondContact O-N 3.26Å; V316-F319 CarbonylContact O-C 3.5Å; V316-F319 PolarHBondContact O-N 3.33Å; V316-R320 PolarHBondContact O-N 3.09Å; V316-R320 VanDerWaalsContact O-N 3.09Å; V316-L323 HydrophobicContact CB-CD1 4.43Å; V316-L323 HydrophobicContact CG1-CD1 3.89Å; V316-F333 HydrophobicContact CG1-CB 4.13Å; V316-F333 HydrophobicContact CG1-CD2 4.37Å
317W89.4Confident89.2Confident7 Ų750.2 Ų50.23%0.02725%0.248CC..Hα-helixtrans-62.1-45176.4-176.5-93.7000111.9R275 Q313 D314 L315 F319 R320 F333 V337 E344 Q347R275-W317 HydrophobicContact CG-CG 4Å; Q313-W317 WeakPolarHBondContact O-CB 3.43Å; Q313-W317 PolarHBondContact O-N 3.5Å; D314-W317 PolarHBondContact O-N 3.47Å; L315-W317 VanDerWaalsContact C-N 3.34Å; W317-F319 VanDerWaalsContact C-N 3.33Å; W317-F319 PolarHBondContact O-N 3.36Å; W317-R320 VanDerWaalsContact O-CB 3.3Å; W317-R320 WeakPolarHBondContact O-CB 3.46Å; W317-R320 WeakPolarHBondContact O-CD 3.4Å; W317-R320 WeakPolarHBondContact O-CG 3.31Å; W317-R320 PolarHBondContact O-N 3.48Å; W317-R320 PolarHBondContact O-NH1 2.81Å; W317-F333 AromaticContact CE3-CE2 3.86Å; W317-F333 HydrophobicContact CE3-CE2 3.86Å; W317-F333 AromaticContact CZ3-CE2 3.98Å; W317-F333 HydrophobicContact CZ3-CE2 3.98Å; W317-F333 HydrophobicContact CZ3-CZ 4.22Å; W317-V337 HydrophobicContact CZ3-CG1 4.39Å; W317-V337 HydrophobicContact CZ3-CG2 4.1Å; W317-E344 HydrophobicContact CH2-CB 3.69Å; W317-E344 HydrophobicContact CH2-CG 3.73Å; W317-E344 HydrophobicContact CZ2-CB 4.27Å; W317-E344 HydrophobicContact CZ2-CG 3.81Å; W317-E344 HydrophobicContact CZ3-CB 4.34Å; W317-E344 HydrophobicContact CZ3-CG 4.49Å; W317-Q347 VanDerWaalsContact CZ2-OE1 3.23Å
318K87.3Confident89.4Confident110 Ų11046.8 Ų46.848%0.47823%0.23SC..Hα-helixtrans-58.5-42.4179.4-178.1173.9-179.5174.50112.6L286 D314 L315L286-K318 HydrophobicContact CD2-CD 4.32Å; L286-K318 HydrophobicContact CD2-CG 3.73Å; D314-K318 VanDerWaalsContact O-CB 3.3Å; D314-K318 WeakPolarHBondContact O-CB 3.44Å; D314-K318 PolarHBondContact O-N 2.99Å; L315-K318 PolarHBondContact O-N 3.02Å
319F90.7Very high89.6Confident15 Ų1546.1 Ų46.17%0.06623%0.227CC..THydrogen-bonded Turntrans-97.418.9-179.8-68.1-77.8000114L286 P288 T292 L296 L315 V316 W317 Y321 Y322 L323L286-F319 HydrophobicContact CD2-CD1 3.71Å; L286-F319 HydrophobicContact CD2-CE1 3.31Å; L286-F319 HydrophobicContact CD2-CE2 4.42Å; L286-F319 HydrophobicContact CD2-CG 4.42Å; L286-F319 HydrophobicContact CD2-CZ 3.73Å; L286-F319 HydrophobicContact CG-CD1 4.35Å; L286-F319 HydrophobicContact CG-CE1 3.83Å; P288-F319 VanDerWaalsContact CA-CE1 3.45Å; P288-F319 HydrophobicContact CB-CD1 4.03Å; P288-F319 HydrophobicContact CB-CE1 3.74Å; P288-F319 HydrophobicContact CB-CE2 4.5Å; P288-F319 HydrophobicContact CB-CZ 3.99Å; P288-F319 HydrophobicContact CG-CD1 4.31Å; P288-F319 HydrophobicContact CG-CE1 4.4Å; P288-F319 VanDerWaalsContact N-CE1 3.34Å; T292-F319 HydrophobicContact CG2-CD2 4.08Å; T292-F319 HydrophobicContact CG2-CE2 3.47Å; T292-F319 VanDerWaalsContact CG2-CE2 3.47Å; T292-F319 HydrophobicContact CG2-CZ 3.92Å; L296-F319 HydrophobicContact CD1-CB 3.94Å; L296-F319 HydrophobicContact CD1-CD2 4.02Å; L296-F319 HydrophobicContact CD1-CG 4.01Å; L315-F319 HydrophobicContact CD1-CD2 4.03Å; L315-F319 HydrophobicContact CD1-CE2 3.83Å; L315-F319 HydrophobicContact CG-CD2 4.46Å; L315-F319 WeakPolarHBondContact O-CD2 3.44Å; L315-F319 PolarHBondContact O-N 3.12Å; V316-F319 CarbonylContact O-C 3.5Å; V316-F319 PolarHBondContact O-N 3.33Å; W317-F319 VanDerWaalsContact C-N 3.33Å; W317-F319 PolarHBondContact O-N 3.36Å; F319-Y321 VanDerWaalsContact C-N 3.28Å; F319-Y321 PolarHBondContact O-N 3.32Å; F319-Y321 VanDerWaalsContact O-N 3.15Å; F319-Y322 WeakPolarHBondContact O-CB 3.26Å; F319-Y322 PolarHBondContact O-N 3.06Å; F319-L323 WeakPolarHBondContact O-CG 3.39Å; F319-L323 PolarHBondContact O-N 3.1Å
320R90.9Very high89.8Confident10 Ų1043.7 Ų43.74%0.03821%0.21CC..Hα-helixtrans-50.4-41.7-176.663.2-162.9173.2-61.4-1.5114.2D283 V316 W317 L323 T324 F333 L351D283-R320 IonicContact OD2-CZ 3.77Å; D283-R320 IonicContact OD2-NH1 2.65Å; D283-R320 PolarHBondContact OD2-NH1 3Å; D283-R320 IonicContact OD2-NH2 3.47Å; D283-R320 PolarHBondContact OD2-NH2 3.48Å; V316-R320 PolarHBondContact O-N 3.09Å; V316-R320 VanDerWaalsContact O-N 3.09Å; W317-R320 VanDerWaalsContact O-CB 3.3Å; W317-R320 WeakPolarHBondContact O-CB 3.46Å; W317-R320 WeakPolarHBondContact O-CD 3.4Å; W317-R320 WeakPolarHBondContact O-CG 3.31Å; W317-R320 PolarHBondContact O-N 3.48Å; W317-R320 PolarHBondContact O-NH1 2.81Å; R320-L323 PolarHBondContact O-N 2.82Å; R320-T324 WeakPolarHBondContact O-CG2 3.45Å; R320-T324 PolarHBondContact O-N 3.42Å; R320-F333 HydrophobicContact CB-CD2 3.97Å; R320-F333 HydrophobicContact CB-CE2 3.61Å; R320-F333 HydrophobicContact CB-CZ 4.4Å; R320-F333 HydrophobicContact CG-CE2 4.47Å; R320-L351 HydrophobicContact CB-CD1 4.12Å; R320-L351 HydrophobicContact CG-CD1 3.8Å
321Y90.2Very high90.3Very high53 Ų5342 Ų4221%0.20820%0.198CC..Hα-helixtrans-66.4-41.3178.3-63.9-79000112.7D283 H284 F319 L323 T324 Q347 L351D283-Y321 HydrophobicContact CB-CD2 4.14Å; D283-Y321 HydrophobicContact CB-CE2 3.93Å; H284-Y321 AromaticContact CD2-CD1 3.74Å; H284-Y321 AromaticContact CD2-CE1 4Å; F319-Y321 VanDerWaalsContact C-N 3.28Å; F319-Y321 PolarHBondContact O-N 3.32Å; F319-Y321 VanDerWaalsContact O-N 3.15Å; Y321-L323 VanDerWaalsContact C-N 3.32Å; Y321-L323 PolarHBondContact O-N 3.1Å; Y321-T324 WeakPolarHBondContact O-CB 3.41Å; Y321-T324 PolarHBondContact O-N 3.38Å; Y321-T324 PolarHBondContact O-OG1 2.96Å; Y321-Q347 PolarHBondContact OH-NE2 2.94Å; Y321-Q347 VanDerWaalsContact OH-NE2 3.15Å; Y321-L351 HydrophobicContact CD1-CD2 3.74Å; Y321-L351 HydrophobicContact CE1-CD2 3.63Å
322Y90.2Very high90.6Very high68 Ų6834.6 Ų34.627%0.26716%0.163SC..Hα-helixtrans-62.5-41.5174.5171-99000111.6P288 F319 T324 T325P288-Y322 HydrophobicContact CG-CD1 3.92Å; P288-Y322 HydrophobicContact CG-CD2 4.45Å; P288-Y322 HydrophobicContact CG-CE1 3.73Å; P288-Y322 HydrophobicContact CG-CE2 4.28Å; P288-Y322 HydrophobicContact CG-CG 4.28Å; F319-Y322 WeakPolarHBondContact O-CB 3.26Å; F319-Y322 PolarHBondContact O-N 3.06Å; Y322-T324 VanDerWaalsContact C-N 3.26Å; Y322-T324 PolarHBondContact O-N 3.11Å; Y322-T325 PolarHBondContact O-OG1 2.69Å
323L92Very high90.8Very high1 Ų132.8 Ų32.81%0.00516%0.155CC..Hα-helixtrans-70-17.7-178.6-66.6174.2000113.8L296 V316 F319 R320 Y321 T325 Q326 A329 W355L296-L323 HydrophobicContact CD2-CD1 4.32Å; V316-L323 HydrophobicContact CB-CD1 4.43Å; V316-L323 HydrophobicContact CG1-CD1 3.89Å; F319-L323 WeakPolarHBondContact O-CG 3.39Å; F319-L323 PolarHBondContact O-N 3.1Å; R320-L323 PolarHBondContact O-N 2.82Å; Y321-L323 VanDerWaalsContact C-N 3.32Å; Y321-L323 PolarHBondContact O-N 3.1Å; L323-T325 PolarHBondContact O-N 2.99Å; L323-Q326 PolarHBondContact O-N 3.26Å; L323-A329 HydrophobicContact CB-CB 4.11Å; L323-A329 HydrophobicContact CD2-CB 4.07Å; L323-A329 HydrophobicContact CG-CB 4.49Å; L323-W355 VanDerWaalsContact C-CZ2 3.48Å; L323-W355 HydrophobicContact CB-CH2 3.77Å; L323-W355 HydrophobicContact CB-CZ2 3.87Å; L323-W355 WeakPolarHBondContact O-CZ2 3.48Å
324T92.3Very high91Very high25 Ų2530.7 Ų30.715%0.15315%0.145CC..THydrogen-bonded Turntrans-54.7-25.6175.760.10000113.7R320 Y321 Y322 Q326 L351 W355 R356R320-T324 WeakPolarHBondContact O-CG2 3.45Å; R320-T324 PolarHBondContact O-N 3.42Å; Y321-T324 WeakPolarHBondContact O-CB 3.41Å; Y321-T324 PolarHBondContact O-N 3.38Å; Y321-T324 PolarHBondContact O-OG1 2.96Å; Y322-T324 VanDerWaalsContact C-N 3.26Å; Y322-T324 PolarHBondContact O-N 3.11Å; T324-Q326 VanDerWaalsContact C-N 3.34Å; T324-L351 HydrophobicContact CG2-CD2 4.02Å; T324-W355 HydrophobicContact CG2-CD2 4.3Å; T324-W355 HydrophobicContact CG2-CE3 3.81Å; T324-W355 HydrophobicContact CG2-CZ3 4.09Å; T324-R356 WeakPolarHBondContact O-CB 3.46Å; T324-R356 PolarHBondContact O-N 2.78Å
325T90.5Very high91.2Very high87 Ų8732.2 Ų32.253%0.53415%0.151SC..THydrogen-bonded Turntrans-78.7-17177.662.30000113.7Y322 L323 R356Y322-T325 PolarHBondContact O-OG1 2.69Å; L323-T325 PolarHBondContact O-N 2.99Å; T325-R356 VanDerWaalsContact O-CD 3.28Å; T325-R356 WeakPolarHBondContact O-CD 3.4Å
326Q90.7Very high91.2Very high42 Ų4230.5 Ų30.520%0.19614%0.142CC..  trans-101112.5-178.5-61.9-170.3-100110.6L323 T324 K328 A329 W355L323-Q326 PolarHBondContact O-N 3.26Å; T324-Q326 VanDerWaalsContact C-N 3.34Å; Q326-K328 PolarHBondContact O-N 3.34Å; Q326-A329 HydrophobicContact CB-CB 3.94Å; Q326-A329 PolarHBondContact O-N 3.03Å; Q326-W355 PolarHBondContact O-NE1 3.16Å
327E91.3Very high91.1Very high46 Ų4630.8 Ų30.822%0.21514%0.144CC..THydrogen-bonded Turntrans-61.1-42.7-177.266.3-149.7171.700113.1A329 L330 R356E327-A329 PolarHBondContact O-N 3.36Å; E327-L330 PolarHBondContact O-N 2.73Å; E327-R356 HydrophobicContact CB-CG 4.4Å; E327-R356 IonicContact OE2-CZ 2.7Å; E327-R356 VanDerWaalsContact OE2-CZ 3.24Å; E327-R356 IonicContact OE2-NE 3.61Å; E327-R356 PolarHBondContact OE2-NE 3.43Å; E327-R356 IonicContact OE2-NH2 3.86Å; E327-R356 PolarHBondContact OE2-NH2 2.91Å
328K88.9Confident91Very high105 Ų10533 Ų3346%0.45716%0.156SC..THydrogen-bonded Turntrans-70.1-16.3-178.6-62.6-172.2177.8-174.60114.5V300 Q326 L330V300-K328 HydrophobicContact CG1-CB 3.71Å; Q326-K328 PolarHBondContact O-N 3.34Å; K328-L330 VanDerWaalsContact C-N 3.32Å
329A92.4Very high91Very high1 Ų131.1 Ų31.11%0.00815%0.146CC..Hα-helixtrans-79.6-16.3-179.300000112.7V300 L323 Q326 E327 T331 K332 F333 W355V300-A329 HydrophobicContact CG1-CB 4.41Å; V300-A329 HydrophobicContact CG2-CB 3.69Å; L323-A329 HydrophobicContact CB-CB 4.11Å; L323-A329 HydrophobicContact CD2-CB 4.07Å; L323-A329 HydrophobicContact CG-CB 4.49Å; Q326-A329 HydrophobicContact CB-CB 3.94Å; Q326-A329 PolarHBondContact O-N 3.03Å; E327-A329 PolarHBondContact O-N 3.36Å; A329-T331 PolarHBondContact O-N 2.96Å; A329-K332 PolarHBondContact O-N 2.58Å; A329-F333 PolarHBondContact O-N 3.17Å; A329-W355 HydrophobicContact CB-CZ2 3.89Å
330L94Very high90.8Very high0 Ų034.4 Ų34.40%018%0.176CC..Hα-helixtrans-59.8-46.4-174.1179.856.4000112.7E327 K328 K332 F333 L334 L352 W355 M358 Y379E327-L330 PolarHBondContact O-N 2.73Å; K328-L330 VanDerWaalsContact C-N 3.32Å; L330-K332 VanDerWaalsContact C-N 3.3Å; L330-K332 PolarHBondContact O-N 3.28Å; L330-F333 HydrophobicContact CD1-CD1 4.46Å; L330-F333 PolarHBondContact O-N 3.27Å; L330-L334 HydrophobicContact CD1-CD1 3.87Å; L330-L334 HydrophobicContact CD1-CG 3.96Å; L330-L334 HydrophobicContact CG-CD1 3.96Å; L330-L334 HydrophobicContact CG-CG 4.44Å; L330-L334 WeakPolarHBondContact O-CG 3.16Å; L330-L334 PolarHBondContact O-N 3.44Å; L330-L352 HydrophobicContact CD1-CD1 3.82Å; L330-L352 HydrophobicContact CD2-CD1 3.99Å; L330-L352 HydrophobicContact CG-CD1 4.44Å; L330-W355 HydrophobicContact CB-CD2 4.26Å; L330-W355 HydrophobicContact CB-CG 4.31Å; L330-W355 HydrophobicContact CB-CZ2 4.33Å; L330-W355 HydrophobicContact CD1-CB 4.3Å; L330-W355 HydrophobicContact CD1-CD2 3.62Å; L330-W355 HydrophobicContact CD1-CE3 3.89Å; L330-W355 HydrophobicContact CD1-CG 3.81Å; L330-W355 HydrophobicContact CD1-CZ3 4.49Å; L330-W355 HydrophobicContact CD2-CG 4.39Å; L330-W355 HydrophobicContact CG-CD2 4.45Å; L330-W355 HydrophobicContact CG-CG 4.38Å; L330-M358 HydrophobicContact CD2-CB 4.45Å; L330-M358 HydrophobicContact CD2-SD 4.01Å; L330-Y379 HydrophobicContact CD2-CE1 3.63Å
331T92.5Very high90.5Very high6 Ų636.4 Ų36.44%0.03719%0.187CC..Hα-helixtrans-66.6-36.1-178.266.50000111.3A329 L334 K335 M358 E365 L366A329-T331 PolarHBondContact O-N 2.96Å; T331-L334 PolarHBondContact O-N 2.9Å; T331-K335 VanDerWaalsContact O-CG 3.29Å; T331-K335 WeakPolarHBondContact O-CG 3.31Å; T331-K335 PolarHBondContact O-N 3.39Å; T331-K335 VanDerWaalsContact O-N 3.09Å; T331-M358 HydrophobicContact CG2-CE 3.74Å; T331-E365 WeakPolarHBondContact CB-OE2 3.28Å; T331-E365 HydrophobicContact CG2-CB 4.37Å; T331-E365 WeakPolarHBondContact CG2-OE2 3.47Å; T331-E365 PolarHBondContact OG1-OE2 2.96Å; T331-L366 HydrophobicContact CG2-CD2 4Å; T331-L366 HydrophobicContact CG2-CG 4.46Å
332K93Very high90.2Very high8 Ų838.9 Ų38.94%0.03521%0.21CC..Hα-helixtrans-67.2-40.2175.4-55.5-56.9-175.8-78.60112Y302 L308 A329 L330 C336Y302-K332 WeakPolarHBondContact O-CE 3.5Å; Y302-K332 PolarHBondContact O-NZ 3.37Å; Y302-K332 VanDerWaalsContact O-NZ 3.07Å; L308-K332 HydrophobicContact CD1-CB 4.36Å; A329-K332 PolarHBondContact O-N 2.58Å; L330-K332 VanDerWaalsContact C-N 3.3Å; L330-K332 PolarHBondContact O-N 3.28Å; K332-C336 PolarHBondContact O-N 3.28Å
333F94.1Very high90Very high0 Ų037.3 Ų37.30%021%0.214CC..Hα-helixtrans-62.1-51.3172.6170.4-109000111.5V316 W317 R320 A329 L330 K335 C336 V337 A348 L351 W355V316-F333 HydrophobicContact CG1-CB 4.13Å; V316-F333 HydrophobicContact CG1-CD2 4.37Å; W317-F333 AromaticContact CE3-CE2 3.86Å; W317-F333 HydrophobicContact CE3-CE2 3.86Å; W317-F333 AromaticContact CZ3-CE2 3.98Å; W317-F333 HydrophobicContact CZ3-CE2 3.98Å; W317-F333 HydrophobicContact CZ3-CZ 4.22Å; R320-F333 HydrophobicContact CB-CD2 3.97Å; R320-F333 HydrophobicContact CB-CE2 3.61Å; R320-F333 HydrophobicContact CB-CZ 4.4Å; R320-F333 HydrophobicContact CG-CE2 4.47Å; A329-F333 PolarHBondContact O-N 3.17Å; L330-F333 HydrophobicContact CD1-CD1 4.46Å; L330-F333 PolarHBondContact O-N 3.27Å; F333-K335 PolarHBondContact O-N 3.38Å; F333-C336 PolarHBondContact O-N 3.5Å; F333-C336 PolarHBondContact O-SG 3.35Å; F333-V337 HydrophobicContact CE1-CG2 4.27Å; F333-V337 HydrophobicContact CE2-CG2 4.37Å; F333-V337 HydrophobicContact CZ-CG2 4.13Å; F333-V337 WeakPolarHBondContact O-CG2 3.48Å; F333-V337 PolarHBondContact O-N 3.16Å; F333-A348 HydrophobicContact CE1-CB 4.1Å; F333-A348 HydrophobicContact CZ-CB 4.06Å; F333-L351 HydrophobicContact CE1-CB 4.44Å; F333-L351 HydrophobicContact CE1-CD1 4.49Å; F333-L351 HydrophobicContact CE2-CD1 4.48Å; F333-L351 HydrophobicContact CZ-CD1 3.87Å; F333-W355 HydrophobicContact CB-CH2 3.55Å; F333-W355 HydrophobicContact CB-CZ2 4.3Å; F333-W355 HydrophobicContact CB-CZ3 4Å; F333-W355 HydrophobicContact CD1-CE3 4.13Å; F333-W355 AromaticContact CD1-CH2 3.92Å; F333-W355 HydrophobicContact CD1-CH2 3.92Å; F333-W355 AromaticContact CD1-CZ3 3.42Å; F333-W355 HydrophobicContact CD1-CZ3 3.42Å; F333-W355 VanDerWaalsContact CD1-CZ3 3.42Å; F333-W355 HydrophobicContact CD2-CH2 4.36Å; F333-W355 HydrophobicContact CD2-CZ3 4.28Å; F333-W355 AromaticContact CE1-CZ3 3.94Å; F333-W355 HydrophobicContact CE1-CZ3 3.94Å; F333-W355 AromaticContact CG-CH2 3.68Å; F333-W355 HydrophobicContact CG-CH2 3.68Å; F333-W355 AromaticContact CG-CZ3 3.62Å; F333-W355 HydrophobicContact CG-CZ3 3.62Å
334L93.5Very high89.7Confident1 Ų137.7 Ų37.71%0.00522%0.216CC..Hα-helixtrans-62.8-29.4-178.1-67.7171.8000113.2L330 T331 C336 W339 L352 L366 F371 V376L330-L334 HydrophobicContact CD1-CD1 3.87Å; L330-L334 HydrophobicContact CD1-CG 3.96Å; L330-L334 HydrophobicContact CG-CD1 3.96Å; L330-L334 HydrophobicContact CG-CG 4.44Å; L330-L334 WeakPolarHBondContact O-CG 3.16Å; L330-L334 PolarHBondContact O-N 3.44Å; T331-L334 PolarHBondContact O-N 2.9Å; L334-C336 VanDerWaalsContact C-N 3.33Å; L334-W339 HydrophobicContact CD2-CH2 4.16Å; L334-W339 HydrophobicContact CD2-CZ2 3.96Å; L334-W339 PolarHBondContact O-NE1 3.07Å; L334-L352 HydrophobicContact CD1-CD1 4.38Å; L334-L366 HydrophobicContact CD1-CD1 4.36Å; L334-L366 HydrophobicContact CD1-CD2 3.69Å; L334-F371 HydrophobicContact CB-CD1 4.34Å; L334-F371 HydrophobicContact CB-CE1 3.67Å; L334-V376 HydrophobicContact CD1-CG1 3.86Å; L334-V376 HydrophobicContact CD1-CG2 4.46Å; L334-V376 HydrophobicContact CD2-CG2 4.14Å
335K90.6Very high89.6Confident51 Ų5137.2 Ų37.222%0.22221%0.214CC..Hα-helixtrans-69.7-25.8172.7-74.5-179.4-167.4-156.20113.8P304 T331 F333 E365 F371P304-K335 PolarHBondContact O-NZ 3.01Å; T331-K335 VanDerWaalsContact O-CG 3.29Å; T331-K335 WeakPolarHBondContact O-CG 3.31Å; T331-K335 PolarHBondContact O-N 3.39Å; T331-K335 VanDerWaalsContact O-N 3.09Å; F333-K335 PolarHBondContact O-N 3.38Å; K335-E365 WeakPolarHBondContact CE-OE1 3.4Å; K335-E365 IonicContact NZ-OE1 3.26Å; K335-E365 PolarHBondContact NZ-OE1 3.15Å; K335-F371 HydrophobicContact CD-CZ 4.4Å; K335-F371 HydrophobicContact CG-CE1 4.08Å; K335-F371 HydrophobicContact CG-CZ 3.71Å
336C89.1Confident89.5Confident2 Ų239.6 Ų39.61%0.01422%0.217CC..Hα-helixtrans-87.2-12.8179.984.40000113.3R275 Q313 K332 F333 L334R275-C336 PolarHBondContact NH1-O 3.24Å; R275-C336 PolarHBondContact NH2-O 2.78Å; Q313-C336 HydrophobicContact CB-CB 3.79Å; Q313-C336 HydrophobicContact CG-CB 3.82Å; K332-C336 PolarHBondContact O-N 3.28Å; F333-C336 PolarHBondContact O-N 3.5Å; F333-C336 PolarHBondContact O-SG 3.35Å; L334-C336 VanDerWaalsContact C-N 3.33Å
337V89.4Confident89.5Confident9 Ų939 Ų396%0.05521%0.214CC..  trans-71.6130.2-178.2-175.40000110.9W317 F333 W339 E344 A348W317-V337 HydrophobicContact CZ3-CG1 4.39Å; W317-V337 HydrophobicContact CZ3-CG2 4.1Å; F333-V337 HydrophobicContact CE1-CG2 4.27Å; F333-V337 HydrophobicContact CE2-CG2 4.37Å; F333-V337 HydrophobicContact CZ-CG2 4.13Å; F333-V337 WeakPolarHBondContact O-CG2 3.48Å; F333-V337 PolarHBondContact O-N 3.16Å; V337-W339 HydrophobicContact CB-CZ2 4.27Å; V337-W339 HydrophobicContact CG1-CD2 4.2Å; V337-W339 HydrophobicContact CG1-CE3 4.48Å; V337-W339 HydrophobicContact CG1-CZ2 4.37Å; V337-W339 PolarHBondContact O-N 3.38Å; V337-E344 HydrophobicContact CG1-CB 4.32Å; V337-A348 HydrophobicContact CB-CB 4.4Å; V337-A348 HydrophobicContact CG1-CB 3.75Å; V337-A348 HydrophobicContact CG2-CB 3.74Å
338N87.1Confident89.5Confident52 Ų5236.8 Ų36.828%0.27820%0.204SC..  trans-84.196.2168.8-170.2-21.3000111.1A340 L341 E344N338-A340 PolarHBondContact O-N 3.08Å; N338-A340 WeakPolarHBondContact OD1-CB 3.3Å; N338-A340 PolarHBondContact OD1-N 2.72Å; N338-A340 VanDerWaalsContact OD1-N 3.08Å; N338-L341 HydrophobicContact CB-CD1 4.22Å; N338-L341 HydrophobicContact CB-CG 4.42Å; N338-L341 PolarHBondContact O-N 3.23Å; N338-L341 VanDerWaalsContact O-N 3.11Å; N338-E344 WeakPolarHBondContact CB-OE2 3.04Å; N338-E344 PolarHBondContact N-OE2 2.76Å; N338-E344 VanDerWaalsContact N-OE2 3.1Å
339W88.3Confident89.6Confident71 Ų7134.2 Ų34.227%0.26920%0.195SC..THydrogen-bonded Turntrans-65.8-14.8-178.9-62.598.9000114.7L334 V337 L341 A345 A348 L349 N373 V376L334-W339 HydrophobicContact CD2-CH2 4.16Å; L334-W339 HydrophobicContact CD2-CZ2 3.96Å; L334-W339 PolarHBondContact O-NE1 3.07Å; V337-W339 HydrophobicContact CB-CZ2 4.27Å; V337-W339 HydrophobicContact CG1-CD2 4.2Å; V337-W339 HydrophobicContact CG1-CE3 4.48Å; V337-W339 HydrophobicContact CG1-CZ2 4.37Å; V337-W339 PolarHBondContact O-N 3.38Å; W339-L341 VanDerWaalsContact C-N 3.31Å; W339-A345 HydrophobicContact CE3-CB 4.03Å; W339-A345 HydrophobicContact CZ3-CB 4.46Å; W339-A348 HydrophobicContact CH2-CB 4.37Å; W339-L349 HydrophobicContact CH2-CD2 4.13Å; W339-L349 HydrophobicContact CZ3-CD2 3.96Å; W339-L349 HydrophobicContact CZ3-CG 4.2Å; W339-N373 HydrophobicContact CD2-CB 4.32Å; W339-N373 HydrophobicContact CE3-CB 4.05Å; W339-N373 HydrophobicContact CH2-CB 4.21Å; W339-N373 HydrophobicContact CZ2-CB 4.46Å; W339-N373 HydrophobicContact CZ3-CB 3.99Å; W339-N373 WeakPolarHBondContact CZ3-ND2 3.41Å; W339-V376 HydrophobicContact CH2-CG2 3.48Å; W339-V376 VanDerWaalsContact CH2-CG2 3.48Å; W339-V376 HydrophobicContact CZ2-CG2 3.8Å; W339-V376 HydrophobicContact CZ3-CG2 4.41Å
340A86.1Confident89.5Confident85 Ų8539.3 Ų39.370%0.70222%0.219SC*.THydrogen-bonded Turntrans-77.8-17.9175.100000112.5N338 P342N338-A340 PolarHBondContact O-N 3.08Å; N338-A340 WeakPolarHBondContact OD1-CB 3.3Å; N338-A340 PolarHBondContact OD1-N 2.72Å; N338-A340 VanDerWaalsContact OD1-N 3.08Å; A340-P342 WeakPolarHBondContact O-CD 3.3Å
341L85Confident89.4Confident51 Ų5139.6 Ų39.627%0.26722%0.22SC..SBendtrans-93.8112.3176.5-66.2177.9000110K272 N338 W339 G343 E344 A345K272-L341 HydrophobicContact CG-CD1 4.46Å; N338-L341 HydrophobicContact CB-CD1 4.22Å; N338-L341 HydrophobicContact CB-CG 4.42Å; N338-L341 PolarHBondContact O-N 3.23Å; N338-L341 VanDerWaalsContact O-N 3.11Å; W339-L341 VanDerWaalsContact C-N 3.31Å; L341-G343 PolarHBondContact O-N 3.44Å; L341-G343 VanDerWaalsContact O-N 3.14Å; L341-E344 HydrophobicContact CB-CB 4.32Å; L341-E344 HydrophobicContact CB-CG 4.36Å; L341-E344 HydrophobicContact CD1-CG 4.46Å; L341-E344 PolarHBondContact O-N 3.49Å; L341-A345 PolarHBondContact O-N 3.02Å
342P83.9Confident89.4Confident106 Ų10639.6 Ų39.669%0.68822%0.22SC*.Hα-helixtrans-59.1-31.9-176.1-26.134.9000114A340 K346A340-P342 WeakPolarHBondContact O-CD 3.3Å; P342-K346 VanDerWaalsContact O-CB 3.28Å; P342-K346 WeakPolarHBondContact O-CB 3.28Å; P342-K346 PolarHBondContact O-N 3.07Å
343G84.4Confident89.2Confident34 Ų3442.8 Ų42.835%0.35126%0.255SS..Hα-helixtrans-67.2-46178.100000113.3L341 Q347L341-G343 PolarHBondContact O-N 3.44Å; L341-G343 VanDerWaalsContact O-N 3.14Å; G343-Q347 PolarHBondContact O-N 3.08Å
344E87.6Confident89.1Confident10 Ų1050 Ų505%0.04729%0.286CS..Hα-helixtrans-67.7-45.5176.5-70-167.4-160.100111R275 W317 V337 N338 L341 K346 Q347 A348R275-E344 WeakPolarHBondContact CD-OE1 3.37Å; R275-E344 IonicContact NH1-OE2 3.59Å; R275-E344 PolarHBondContact NH1-OE2 3.2Å; W317-E344 HydrophobicContact CH2-CB 3.69Å; W317-E344 HydrophobicContact CH2-CG 3.73Å; W317-E344 HydrophobicContact CZ2-CB 4.27Å; W317-E344 HydrophobicContact CZ2-CG 3.81Å; W317-E344 HydrophobicContact CZ3-CB 4.34Å; W317-E344 HydrophobicContact CZ3-CG 4.49Å; V337-E344 HydrophobicContact CG1-CB 4.32Å; N338-E344 WeakPolarHBondContact CB-OE2 3.04Å; N338-E344 PolarHBondContact N-OE2 2.76Å; N338-E344 VanDerWaalsContact N-OE2 3.1Å; L341-E344 HydrophobicContact CB-CB 4.32Å; L341-E344 HydrophobicContact CB-CG 4.36Å; L341-E344 HydrophobicContact CD1-CG 4.46Å; L341-E344 PolarHBondContact O-N 3.49Å; E344-K346 VanDerWaalsContact C-N 3.33Å; E344-K346 PolarHBondContact O-N 3.2Å; E344-Q347 PolarHBondContact O-N 3.43Å; E344-A348 WeakPolarHBondContact O-CB 3.43Å; E344-A348 PolarHBondContact O-N 3.35Å
345A89.6Confident89.1Confident15 Ų1550.4 Ų50.412%0.12429%0.288CS..Hα-helixtrans-56.8-46.2177.800000111.5W339 L341 A348 L349W339-A345 HydrophobicContact CE3-CB 4.03Å; W339-A345 HydrophobicContact CZ3-CB 4.46Å; L341-A345 PolarHBondContact O-N 3.02Å; A345-A348 PolarHBondContact O-N 3.28Å; A345-L349 VanDerWaalsContact O-CG 3.26Å; A345-L349 WeakPolarHBondContact O-CG 3.24Å; A345-L349 PolarHBondContact O-N 2.91Å
346K89Confident89.2Confident136 Ų13654.3 Ų54.359%0.59130%0.301SS*.Hα-helixtrans-60.5-47.8177.5-174.7-179.9176.5-175.40112P342 E344 A348 L349 E350P342-K346 VanDerWaalsContact O-CB 3.28Å; P342-K346 WeakPolarHBondContact O-CB 3.28Å; P342-K346 PolarHBondContact O-N 3.07Å; E344-K346 VanDerWaalsContact C-N 3.33Å; E344-K346 PolarHBondContact O-N 3.2Å; K346-A348 PolarHBondContact O-N 3.3Å; K346-L349 PolarHBondContact O-N 3.22Å; K346-E350 WeakPolarHBondContact CE-OE1 3.14Å; K346-E350 WeakPolarHBondContact O-CG 3.33Å; K346-E350 PolarHBondContact O-N 3.18Å
347Q88.8Confident89.4Confident29 Ų2957.8 Ų57.814%0.13632%0.324CS..Hα-helixtrans-64.1-40.3179.3-179168.978.900112.2W317 Y321 G343 E344 L349 E350 L351W317-Q347 VanDerWaalsContact CZ2-OE1 3.23Å; Y321-Q347 PolarHBondContact OH-NE2 2.94Å; Y321-Q347 VanDerWaalsContact OH-NE2 3.15Å; G343-Q347 PolarHBondContact O-N 3.08Å; E344-Q347 PolarHBondContact O-N 3.43Å; Q347-L349 VanDerWaalsContact C-N 3.34Å; Q347-L349 PolarHBondContact O-N 2.86Å; Q347-E350 PolarHBondContact O-N 3.02Å; Q347-L351 HydrophobicContact CG-CD1 4.22Å; Q347-L351 WeakPolarHBondContact O-CB 3.43Å; Q347-L351 WeakPolarHBondContact O-CG 3.26Å; Q347-L351 PolarHBondContact O-N 3.22Å
348A92.3Very high89.5Confident0 Ų057.4 Ų57.40%032%0.321CS..Hα-helixtrans-62-41.6176.700000112.1F333 V337 W339 E344 A345 K346 L351 L352F333-A348 HydrophobicContact CE1-CB 4.1Å; F333-A348 HydrophobicContact CZ-CB 4.06Å; V337-A348 HydrophobicContact CB-CB 4.4Å; V337-A348 HydrophobicContact CG1-CB 3.75Å; V337-A348 HydrophobicContact CG2-CB 3.74Å; W339-A348 HydrophobicContact CH2-CB 4.37Å; E344-A348 WeakPolarHBondContact O-CB 3.43Å; E344-A348 PolarHBondContact O-N 3.35Å; A345-A348 PolarHBondContact O-N 3.28Å; K346-A348 PolarHBondContact O-N 3.3Å; A348-L351 PolarHBondContact O-N 2.74Å; A348-L352 WeakPolarHBondContact O-CB 3.44Å; A348-L352 PolarHBondContact O-N 3.44Å
349L91.9Very high89.6Confident52 Ų5258.7 Ų58.727%0.27233%0.328SS..Hα-helixtrans-68.2-37.4176.8-66.2179.7000112.7W339 A345 K346 Q347 L351 L352 T375 V376W339-L349 HydrophobicContact CH2-CD2 4.13Å; W339-L349 HydrophobicContact CZ3-CD2 3.96Å; W339-L349 HydrophobicContact CZ3-CG 4.2Å; A345-L349 VanDerWaalsContact O-CG 3.26Å; A345-L349 WeakPolarHBondContact O-CG 3.24Å; A345-L349 PolarHBondContact O-N 2.91Å; K346-L349 PolarHBondContact O-N 3.22Å; Q347-L349 VanDerWaalsContact C-N 3.34Å; Q347-L349 PolarHBondContact O-N 2.86Å; L349-L351 VanDerWaalsContact C-N 3.34Å; L349-L352 HydrophobicContact CD2-CD2 4.48Å; L349-L352 PolarHBondContact O-N 3.44Å; L349-T375 HydrophobicContact CD2-CG2 3.79Å; L349-V376 HydrophobicContact CD2-CG2 4.47Å
350E90Very high89.8Confident108 Ų10856.8 Ų56.851%0.50532%0.324SS..Hα-helixtrans-64.2-39172.9-73.1175.1-169.300112K346 Q347K346-E350 WeakPolarHBondContact CE-OE1 3.14Å; K346-E350 WeakPolarHBondContact O-CG 3.33Å; K346-E350 PolarHBondContact O-N 3.18Å; Q347-E350 PolarHBondContact O-N 3.02Å
351L91.4Very high89.9Confident5 Ų554.9 Ų54.93%0.02630%0.301CS..Hα-helixtrans-71.6-34.6176.6-76175.8000112.8R320 Y321 T324 F333 Q347 A348 L349 G353 K354 W355R320-L351 HydrophobicContact CB-CD1 4.12Å; R320-L351 HydrophobicContact CG-CD1 3.8Å; Y321-L351 HydrophobicContact CD1-CD2 3.74Å; Y321-L351 HydrophobicContact CE1-CD2 3.63Å; T324-L351 HydrophobicContact CG2-CD2 4.02Å; F333-L351 HydrophobicContact CE1-CB 4.44Å; F333-L351 HydrophobicContact CE1-CD1 4.49Å; F333-L351 HydrophobicContact CE2-CD1 4.48Å; F333-L351 HydrophobicContact CZ-CD1 3.87Å; Q347-L351 HydrophobicContact CG-CD1 4.22Å; Q347-L351 WeakPolarHBondContact O-CB 3.43Å; Q347-L351 WeakPolarHBondContact O-CG 3.26Å; Q347-L351 PolarHBondContact O-N 3.22Å; A348-L351 PolarHBondContact O-N 2.74Å; L349-L351 VanDerWaalsContact C-N 3.34Å; L351-G353 PolarHBondContact O-N 2.87Å; L351-K354 CarbonylContact O-C 3.55Å; L351-K354 WeakPolarHBondContact O-CA 3.41Å; L351-K354 PolarHBondContact O-N 2.93Å; L351-W355 PolarHBondContact O-N 2.74Å
352L93Very high90.1Very high7 Ų753.6 Ų53.64%0.03729%0.294CS..Hα-helixtrans-55.3-40.7176.8-177.164.8000111.5L330 L334 A348 L349 K354 W355 V376 Y379L330-L352 HydrophobicContact CD1-CD1 3.82Å; L330-L352 HydrophobicContact CD2-CD1 3.99Å; L330-L352 HydrophobicContact CG-CD1 4.44Å; L334-L352 HydrophobicContact CD1-CD1 4.38Å; A348-L352 WeakPolarHBondContact O-CB 3.44Å; A348-L352 PolarHBondContact O-N 3.44Å; L349-L352 HydrophobicContact CD2-CD2 4.48Å; L349-L352 PolarHBondContact O-N 3.44Å; L352-K354 VanDerWaalsContact C-N 3.26Å; L352-K354 PolarHBondContact O-N 3.25Å; L352-W355 PolarHBondContact O-N 3.48Å; L352-V376 HydrophobicContact CD2-CG2 4.33Å; L352-Y379 HydrophobicContact CD1-CD1 3.96Å; L352-Y379 HydrophobicContact CD1-CD2 4.25Å; L352-Y379 HydrophobicContact CD1-CE1 4.16Å; L352-Y379 HydrophobicContact CD1-CE2 4.43Å; L352-Y379 HydrophobicContact CD1-CG 4Å; L352-Y379 HydrophobicContact CD2-CG 4.24Å; L352-Y379 HydrophobicContact CG-CD2 4.24Å; L352-Y379 HydrophobicContact CG-CG 4.21Å
353G88.2Confident90.6Very high75 Ų7548.5 Ų48.577%0.77326%0.261SS*.THydrogen-bonded Turntrans-71-16.6176.500000114.9L351L351-G353 PolarHBondContact O-N 2.87Å
354K91.2Very high91Very high150 Ų15046.9 Ų46.965%0.65225%0.245SC*.THydrogen-bonded Turntrans-102.3-12.1177.4-63.5178.5-176.6175.20112.9L351 L352L351-K354 CarbonylContact O-C 3.55Å; L351-K354 WeakPolarHBondContact O-CA 3.41Å; L351-K354 PolarHBondContact O-N 2.93Å; L352-K354 VanDerWaalsContact C-N 3.26Å; L352-K354 PolarHBondContact O-N 3.25Å
355W94.7Very high91.2Very high10 Ų1046.8 Ų46.84%0.03824%0.244CC..SBendtrans-67.5143-178.1-148.6-74.3000110.2L323 T324 Q326 A329 L330 F333 L351 L352L323-W355 VanDerWaalsContact C-CZ2 3.48Å; L323-W355 HydrophobicContact CB-CH2 3.77Å; L323-W355 HydrophobicContact CB-CZ2 3.87Å; L323-W355 WeakPolarHBondContact O-CZ2 3.48Å; T324-W355 HydrophobicContact CG2-CD2 4.3Å; T324-W355 HydrophobicContact CG2-CE3 3.81Å; T324-W355 HydrophobicContact CG2-CZ3 4.09Å; Q326-W355 PolarHBondContact O-NE1 3.16Å; A329-W355 HydrophobicContact CB-CZ2 3.89Å; L330-W355 HydrophobicContact CB-CD2 4.26Å; L330-W355 HydrophobicContact CB-CG 4.31Å; L330-W355 HydrophobicContact CB-CZ2 4.33Å; L330-W355 HydrophobicContact CD1-CB 4.3Å; L330-W355 HydrophobicContact CD1-CD2 3.62Å; L330-W355 HydrophobicContact CD1-CE3 3.89Å; L330-W355 HydrophobicContact CD1-CG 3.81Å; L330-W355 HydrophobicContact CD1-CZ3 4.49Å; L330-W355 HydrophobicContact CD2-CG 4.39Å; L330-W355 HydrophobicContact CG-CD2 4.45Å; L330-W355 HydrophobicContact CG-CG 4.38Å; F333-W355 HydrophobicContact CB-CH2 3.55Å; F333-W355 HydrophobicContact CB-CZ2 4.3Å; F333-W355 HydrophobicContact CB-CZ3 4Å; F333-W355 HydrophobicContact CD1-CE3 4.13Å; F333-W355 AromaticContact CD1-CH2 3.92Å; F333-W355 HydrophobicContact CD1-CH2 3.92Å; F333-W355 AromaticContact CD1-CZ3 3.42Å; F333-W355 HydrophobicContact CD1-CZ3 3.42Å; F333-W355 VanDerWaalsContact CD1-CZ3 3.42Å; F333-W355 HydrophobicContact CD2-CH2 4.36Å; F333-W355 HydrophobicContact CD2-CZ3 4.28Å; F333-W355 AromaticContact CE1-CZ3 3.94Å; F333-W355 HydrophobicContact CE1-CZ3 3.94Å; F333-W355 AromaticContact CG-CH2 3.68Å; F333-W355 HydrophobicContact CG-CH2 3.68Å; F333-W355 AromaticContact CG-CZ3 3.62Å; F333-W355 HydrophobicContact CG-CZ3 3.62Å; L351-W355 PolarHBondContact O-N 2.74Å; L352-W355 PolarHBondContact O-N 3.48Å
356R93.2Very high91.5Very high134 Ų13446.1 Ų46.151%0.50624%0.238SC..PPolyproline II helixtrans-54.4129.3171179.8175.2165.3159.1-4109.6T324 T325 E327 M358T324-R356 WeakPolarHBondContact O-CB 3.46Å; T324-R356 PolarHBondContact O-N 2.78Å; T325-R356 VanDerWaalsContact O-CD 3.28Å; T325-R356 WeakPolarHBondContact O-CD 3.4Å; E327-R356 HydrophobicContact CB-CG 4.4Å; E327-R356 IonicContact OE2-CZ 2.7Å; E327-R356 VanDerWaalsContact OE2-CZ 3.24Å; E327-R356 IonicContact OE2-NE 3.61Å; E327-R356 PolarHBondContact OE2-NE 3.43Å; E327-R356 IonicContact OE2-NH2 3.86Å; E327-R356 PolarHBondContact OE2-NH2 2.91Å; R356-M358 PolarHBondContact O-N 2.94Å
357P91.4Very high91.7Very high74 Ų7439.6 Ų39.648%0.48121%0.21SC..PPolyproline II helixtrans-55.9130-178-25.433.4000112.1
358M92.1Very high91.8Very high1 Ų138.4 Ų38.41%0.00521%0.205CC..PPolyproline II helixtrans-79.4160.7178.672.3-175.1-51.900112.5L330 T331 R356 D362 L366 Y379 R383L330-M358 HydrophobicContact CD2-CB 4.45Å; L330-M358 HydrophobicContact CD2-SD 4.01Å; T331-M358 HydrophobicContact CG2-CE 3.74Å; R356-M358 PolarHBondContact O-N 2.94Å; M358-D362 HydrophobicContact CE-CB 3.46Å; M358-D362 VanDerWaalsContact CE-CB 3.46Å; M358-D362 VanDerWaalsContact CE-O 3.32Å; M358-D362 WeakPolarHBondContact CE-O 3.38Å; M358-L366 HydrophobicContact CE-CD1 4.36Å; M358-L366 HydrophobicContact CE-CG 4.49Å; M358-L366 HydrophobicContact SD-CD1 3.51Å; M358-L366 VanDerWaalsContact SD-CD1 3.51Å; M358-L366 HydrophobicContact SD-CG 4.23Å; M358-Y379 HydrophobicContact CG-CE1 3.91Å; M358-Y379 PolarHBondContact N-OH 3.43Å; M358-Y379 HydrophobicContact SD-CD1 4.43Å; M358-Y379 HydrophobicContact SD-CE1 3.67Å; M358-R383 HydrophobicContact CG-CG 3.95Å; M358-R383 PolarHBondContact O-NE 3.17Å; M358-R383 PolarHBondContact O-NH2 2.64Å
359D90.4Very high91.7Very high79 Ų7941.2 Ų41.242%0.42222%0.224SC..PPolyproline II helixtrans-67.4154174.4-69.8-30.6000112.1E361 D362 S363D359-E361 VanDerWaalsContact C-N 3.3Å; D359-E361 PolarHBondContact O-N 3.08Å; D359-D362 PolarHBondContact O-N 3.42Å; D359-S363 PolarHBondContact O-N 3.11Å; D359-S363 VanDerWaalsContact O-N 3.09Å
360V90.9Very high91.5Very high31 Ų3143.7 Ų43.719%0.18824%0.235CC..Hα-helixtrans-58-44.9179.3177.80000110.8D362 S363 L384 Q386 A387V360-D362 PolarHBondContact O-N 3.01Å; V360-S363 WeakPolarHBondContact O-CB 3.4Å; V360-S363 PolarHBondContact O-N 3.48Å; V360-S363 VanDerWaalsContact O-N 3.14Å; V360-S363 PolarHBondContact O-OG 3.28Å; V360-L384 HydrophobicContact CG1-CD2 3.95Å; V360-Q386 HydrophobicContact CG2-CB 4.4Å; V360-A387 HydrophobicContact CG1-CB 3.72Å
361E89.6Confident91.5Very high45 Ų4538.8 Ų38.821%0.2121%0.212CC..Hα-helixtrans-59.6-43.4-179.2-64.3176.6-160.900112.1D359 S363 L364 K651 L806D359-E361 VanDerWaalsContact C-N 3.3Å; D359-E361 PolarHBondContact O-N 3.08Å; E361-S363 VanDerWaalsContact C-N 3.33Å; E361-L364 WeakPolarHBondContact O-CB 3.22Å; E361-K651 IonicContact OE1-NZ 3.79Å; E361-L806 HydrophobicContact CB-CD1 4.02Å; E361-L806 HydrophobicContact CB-CD2 4.43Å; E361-L806 HydrophobicContact CG-CD1 4.29Å; E361-L806 HydrophobicContact CG-CD2 4.03Å
362D89.3Confident91.4Very high24 Ų2443.5 Ų43.513%0.12824%0.241CC..Hα-helixtrans-71.8-29.2178.6-71.6-29.4000111.6M358 D359 V360 L364 E365M358-D362 HydrophobicContact CE-CB 3.46Å; M358-D362 VanDerWaalsContact CE-CB 3.46Å; M358-D362 VanDerWaalsContact CE-O 3.32Å; M358-D362 WeakPolarHBondContact CE-O 3.38Å; D359-D362 PolarHBondContact O-N 3.42Å; V360-D362 PolarHBondContact O-N 3.01Å; D362-L364 PolarHBondContact O-N 2.99Å; D362-E365 VanDerWaalsContact O-CB 3.31Å; D362-E365 WeakPolarHBondContact O-CB 3.5Å; D362-E365 PolarHBondContact O-N 2.94Å; D362-E365 VanDerWaalsContact O-N 3.1Å
363S92.9Very high91.3Very high0 Ų044.7 Ų44.70%025%0.247CC..Hα-helixtrans-64.8-21.7-179.278.90000113.5D359 V360 E361 E365 L366D359-S363 PolarHBondContact O-N 3.11Å; D359-S363 VanDerWaalsContact O-N 3.09Å; V360-S363 WeakPolarHBondContact O-CB 3.4Å; V360-S363 PolarHBondContact O-N 3.48Å; V360-S363 VanDerWaalsContact O-N 3.14Å; V360-S363 PolarHBondContact O-OG 3.28Å; E361-S363 VanDerWaalsContact C-N 3.33Å; S363-E365 PolarHBondContact O-N 3.25Å; S363-L366 WeakPolarHBondContact O-CB 3.48Å; S363-L366 PolarHBondContact O-N 3.29Å; S363-L366 VanDerWaalsContact O-N 3.1Å
364L93.2Very high91.3Very high0 Ų043.4 Ų43.40%023%0.225CC..G310 helixtrans-60.1-29.9173.6-65.2171.2000112.3E361 D362 L366 L367 L384 Y395 L399 L806 N809 L810 L813E361-L364 WeakPolarHBondContact O-CB 3.22Å; D362-L364 PolarHBondContact O-N 2.99Å; L364-L366 PolarHBondContact O-N 3.28Å; L364-L367 PolarHBondContact O-N 3.45Å; L364-L367 VanDerWaalsContact O-N 3.14Å; L364-L384 HydrophobicContact CD2-CD2 3.91Å; L364-Y395 HydrophobicContact CD1-CD1 4.19Å; L364-Y395 HydrophobicContact CD1-CD2 4Å; L364-Y395 HydrophobicContact CD1-CE1 4.42Å; L364-Y395 HydrophobicContact CD1-CE2 4.24Å; L364-Y395 HydrophobicContact CD1-CG 3.98Å; L364-Y395 HydrophobicContact CD2-CD2 4.49Å; L364-L399 HydrophobicContact CD2-CD2 3.77Å; L364-L806 HydrophobicContact CD1-CD1 3.64Å; L364-N809 HydrophobicContact CB-CB 4.49Å; L364-L810 HydrophobicContact CD1-CD2 3.92Å; L364-L813 HydrophobicContact CB-CD1 4.41Å
365E93.3Very high91.3Very high8 Ų839.2 Ų39.24%0.03721%0.212CC..G310 helixtrans-60.1-38.1176.1-166.3-179.6170.100111.3P304 T331 K335 D362 S363 L367 S368 F371P304-E365 HydrophobicContact CB-CG 4.38Å; T331-E365 WeakPolarHBondContact CB-OE2 3.28Å; T331-E365 HydrophobicContact CG2-CB 4.37Å; T331-E365 WeakPolarHBondContact CG2-OE2 3.47Å; T331-E365 PolarHBondContact OG1-OE2 2.96Å; K335-E365 WeakPolarHBondContact CE-OE1 3.4Å; K335-E365 IonicContact NZ-OE1 3.26Å; K335-E365 PolarHBondContact NZ-OE1 3.15Å; D362-E365 VanDerWaalsContact O-CB 3.31Å; D362-E365 WeakPolarHBondContact O-CB 3.5Å; D362-E365 PolarHBondContact O-N 2.94Å; D362-E365 VanDerWaalsContact O-N 3.1Å; S363-E365 PolarHBondContact O-N 3.25Å; E365-L367 PolarHBondContact O-N 3.27Å; E365-S368 VanDerWaalsContact O-CB 3.32Å; E365-S368 WeakPolarHBondContact O-CB 3.36Å; E365-S368 PolarHBondContact O-N 2.96Å; E365-S368 VanDerWaalsContact O-N 3.16Å; E365-S368 PolarHBondContact O-OG 2.81Å; E365-F371 HydrophobicContact CG-CE2 4.25Å; E365-F371 VanDerWaalsContact O-CD2 3.29Å; E365-F371 WeakPolarHBondContact O-CD2 3.45Å; E365-F371 WeakPolarHBondContact O-CE2 3.43Å
366L94.4Very high91.3Very high0 Ų038.7 Ų38.70%021%0.21CC..G310 helixtrans-70.4-9.4-179.5-59.6-175.9000113.6T331 L334 M358 S363 L364 F371 V376 Y379 A380T331-L366 HydrophobicContact CG2-CD2 4Å; T331-L366 HydrophobicContact CG2-CG 4.46Å; L334-L366 HydrophobicContact CD1-CD1 4.36Å; L334-L366 HydrophobicContact CD1-CD2 3.69Å; M358-L366 HydrophobicContact CE-CD1 4.36Å; M358-L366 HydrophobicContact CE-CG 4.49Å; M358-L366 HydrophobicContact SD-CD1 3.51Å; M358-L366 VanDerWaalsContact SD-CD1 3.51Å; M358-L366 HydrophobicContact SD-CG 4.23Å; S363-L366 WeakPolarHBondContact O-CB 3.48Å; S363-L366 PolarHBondContact O-N 3.29Å; S363-L366 VanDerWaalsContact O-N 3.1Å; L364-L366 PolarHBondContact O-N 3.28Å; L366-F371 HydrophobicContact CD2-CD1 4.14Å; L366-F371 HydrophobicContact CD2-CD2 4.24Å; L366-F371 HydrophobicContact CD2-CE1 3.92Å; L366-F371 HydrophobicContact CD2-CE2 4.01Å; L366-F371 HydrophobicContact CD2-CG 4.28Å; L366-F371 HydrophobicContact CD2-CZ 3.82Å; L366-F371 WeakPolarHBondContact O-CB 3.26Å; L366-V376 HydrophobicContact CB-CG1 4.27Å; L366-V376 HydrophobicContact CD1-CG1 4.21Å; L366-V376 HydrophobicContact CD2-CG1 4.03Å; L366-V376 HydrophobicContact CG-CG1 4.41Å; L366-Y379 HydrophobicContact CD1-CD1 3.88Å; L366-Y379 HydrophobicContact CD1-CE1 4.24Å; L366-A380 HydrophobicContact CB-CB 3.76Å; L366-A380 HydrophobicContact CD1-CB 4.27Å
367L94.1Very high91.3Very high0 Ų032.5 Ų32.50%019%0.187CC..G310 helixtrans-95.3-3.8175.5-64.2-179.8000113.4L364 E365 R377 A380 L384 L399 A402 Y405 L466 L813L364-L367 PolarHBondContact O-N 3.45Å; L364-L367 VanDerWaalsContact O-N 3.14Å; E365-L367 PolarHBondContact O-N 3.27Å; L367-R377 VanDerWaalsContact C-NH1 3.26Å; L367-R377 HydrophobicContact CD2-CB 4.48Å; L367-R377 PolarHBondContact O-NH1 3.24Å; L367-R377 PolarHBondContact O-NH2 3.1Å; L367-R377 VanDerWaalsContact O-NH2 3.08Å; L367-A380 HydrophobicContact CD2-CB 3.86Å; L367-A380 HydrophobicContact CG-CB 4.04Å; L367-L384 HydrophobicContact CD1-CD1 3.56Å; L367-L399 HydrophobicContact CD1-CD2 3.56Å; L367-A402 HydrophobicContact CB-CB 4.18Å; L367-Y405 WeakPolarHBondContact O-CD2 3.44Å; L367-L466 HydrophobicContact CD1-CD1 4.23Å; L367-L466 HydrophobicContact CD1-CD2 4.28Å; L367-L466 HydrophobicContact CD2-CD2 4.45Å; L367-L813 HydrophobicContact CB-CD2 4.31Å
368S91.5Very high91.3Very high3 Ų332.4 Ų32.42%0.02118%0.177CC..SBendtrans-68.8169.4176.2690000113.1E365 Q370 F371 R377E365-S368 VanDerWaalsContact O-CB 3.32Å; E365-S368 WeakPolarHBondContact O-CB 3.36Å; E365-S368 PolarHBondContact O-N 2.96Å; E365-S368 VanDerWaalsContact O-N 3.16Å; E365-S368 PolarHBondContact O-OG 2.81Å; S368-Q370 PolarHBondContact O-N 2.94Å; S368-Q370 VanDerWaalsContact O-N 3.12Å; S368-F371 PolarHBondContact O-N 3.5Å; S368-R377 PolarHBondContact O-NH1 3Å
369S88.3Confident91.3Very high59 Ų5934.1 Ų34.141%0.41318%0.184SC..THydrogen-bonded Turntrans-60.1-18.3176.656.90000114.2F371S369-F371 VanDerWaalsContact C-N 3.26Å; S369-F371 PolarHBondContact O-N 3.23Å
370Q87.6Confident91.6Very high104 Ų10430.3 Ų30.349%0.48616%0.163SC..THydrogen-bonded Turntrans-70.1-23.1179.1-61.8-178.912.100112.7S368S368-Q370 PolarHBondContact O-N 2.94Å; S368-Q370 VanDerWaalsContact O-N 3.12Å
371F91.1Very high91.7Very high6 Ų628.9 Ų28.93%0.02616%0.155CC..  trans-118.8103.1-175.5-58-83.3000110.6L334 K335 E365 L366 S368 S369 V376 R377L334-F371 HydrophobicContact CB-CD1 4.34Å; L334-F371 HydrophobicContact CB-CE1 3.67Å; K335-F371 HydrophobicContact CD-CZ 4.4Å; K335-F371 HydrophobicContact CG-CE1 4.08Å; K335-F371 HydrophobicContact CG-CZ 3.71Å; E365-F371 HydrophobicContact CG-CE2 4.25Å; E365-F371 VanDerWaalsContact O-CD2 3.29Å; E365-F371 WeakPolarHBondContact O-CD2 3.45Å; E365-F371 WeakPolarHBondContact O-CE2 3.43Å; L366-F371 HydrophobicContact CD2-CD1 4.14Å; L366-F371 HydrophobicContact CD2-CD2 4.24Å; L366-F371 HydrophobicContact CD2-CE1 3.92Å; L366-F371 HydrophobicContact CD2-CE2 4.01Å; L366-F371 HydrophobicContact CD2-CG 4.28Å; L366-F371 HydrophobicContact CD2-CZ 3.82Å; L366-F371 WeakPolarHBondContact O-CB 3.26Å; S368-F371 PolarHBondContact O-N 3.5Å; S369-F371 VanDerWaalsContact C-N 3.26Å; S369-F371 PolarHBondContact O-N 3.23Å; F371-V376 HydrophobicContact CB-CG1 4.4Å; F371-V376 HydrophobicContact CD1-CG1 4.25Å; F371-R377 WeakPolarHBondContact O-CD 3.17Å; F371-R377 PolarHBondContact O-NH1 3.01Å
372T89.3Confident91.9Very high104 Ų10429 Ų2964%0.63816%0.159SC*.  trans-101.8-12.6-17956.30000113.3P374T372-P374 WeakPolarHBondContact O-CD 3.3Å
373N90.4Very high92.1Very high32 Ų3229.1 Ų29.117%0.17116%0.157CC..  trans-67.5122.2-178-174.8-78.6000111.2W339 T375 V376 R377W339-N373 HydrophobicContact CD2-CB 4.32Å; W339-N373 HydrophobicContact CE3-CB 4.05Å; W339-N373 HydrophobicContact CH2-CB 4.21Å; W339-N373 HydrophobicContact CZ2-CB 4.46Å; W339-N373 HydrophobicContact CZ3-CB 3.99Å; W339-N373 WeakPolarHBondContact CZ3-ND2 3.41Å; N373-T375 VanDerWaalsContact C-N 3.29Å; N373-T375 PolarHBondContact O-N 2.9Å; N373-T375 WeakPolarHBondContact OD1-CB 3.43Å; N373-T375 PolarHBondContact OD1-N 2.85Å; N373-V376 HydrophobicContact CB-CB 4.26Å; N373-V376 HydrophobicContact CB-CG2 3.99Å; N373-V376 PolarHBondContact O-N 2.94Å; N373-V376 PolarHBondContact OD1-N 3.49Å; N373-R377 WeakPolarHBondContact O-CG 3.41Å; N373-R377 PolarHBondContact O-N 3.23Å; N373-R377 VanDerWaalsContact O-N 3.14Å
374P89.1Confident92.1Very high47 Ų4729.1 Ų29.131%0.30516%0.157SC..Hα-helixtrans-59.3-35-175.7-26.935000114.3T372 R377 R378T372-P374 WeakPolarHBondContact O-CD 3.3Å; P374-R377 PolarHBondContact O-N 3.45Å; P374-R378 WeakPolarHBondContact O-CB 3.23Å; P374-R378 VanDerWaalsContact O-CG 3.26Å; P374-R378 WeakPolarHBondContact O-CG 3.24Å; P374-R378 PolarHBondContact O-N 2.57Å
375T90.6Very high92.1Very high62 Ų6231.2 Ų31.238%0.3817%0.167SC..Hα-helixtrans-70.2-39-179.2-51.50000111.6L349 N373 R377 R378 Y379L349-T375 HydrophobicContact CD2-CG2 3.79Å; N373-T375 VanDerWaalsContact C-N 3.29Å; N373-T375 PolarHBondContact O-N 2.9Å; N373-T375 WeakPolarHBondContact OD1-CB 3.43Å; N373-T375 PolarHBondContact OD1-N 2.85Å; T375-R377 VanDerWaalsContact C-N 3.34Å; T375-R378 PolarHBondContact O-N 2.95Å; T375-Y379 PolarHBondContact O-N 2.94Å
376V93.9Very high92Very high0 Ų036.9 Ų36.90%019%0.194CC..Hα-helixtrans-63.1-43174.2175.50000110.7L334 W339 L349 L352 L366 F371 N373 Y379 A380L334-V376 HydrophobicContact CD1-CG1 3.86Å; L334-V376 HydrophobicContact CD1-CG2 4.46Å; L334-V376 HydrophobicContact CD2-CG2 4.14Å; W339-V376 HydrophobicContact CH2-CG2 3.48Å; W339-V376 VanDerWaalsContact CH2-CG2 3.48Å; W339-V376 HydrophobicContact CZ2-CG2 3.8Å; W339-V376 HydrophobicContact CZ3-CG2 4.41Å; L349-V376 HydrophobicContact CD2-CG2 4.47Å; L352-V376 HydrophobicContact CD2-CG2 4.33Å; L366-V376 HydrophobicContact CB-CG1 4.27Å; L366-V376 HydrophobicContact CD1-CG1 4.21Å; L366-V376 HydrophobicContact CD2-CG1 4.03Å; L366-V376 HydrophobicContact CG-CG1 4.41Å; F371-V376 HydrophobicContact CB-CG1 4.4Å; F371-V376 HydrophobicContact CD1-CG1 4.25Å; N373-V376 HydrophobicContact CB-CB 4.26Å; N373-V376 HydrophobicContact CB-CG2 3.99Å; N373-V376 PolarHBondContact O-N 2.94Å; N373-V376 PolarHBondContact OD1-N 3.49Å; V376-Y379 WeakPolarHBondContact O-CB 3.36Å; V376-Y379 PolarHBondContact O-N 3.33Å; V376-A380 PolarHBondContact O-N 2.71Å
377R93.1Very high91.9Very high4 Ų437.2 Ų37.22%0.01520%0.196CC..Hα-helixtrans-66.8-41.2177.9-62-17271.485.12.5112.3L367 S368 F371 N373 P374 T375 Y379 A380 V381 A402 E406L367-R377 VanDerWaalsContact C-NH1 3.26Å; L367-R377 HydrophobicContact CD2-CB 4.48Å; L367-R377 PolarHBondContact O-NH1 3.24Å; L367-R377 PolarHBondContact O-NH2 3.1Å; L367-R377 VanDerWaalsContact O-NH2 3.08Å; S368-R377 PolarHBondContact O-NH1 3Å; F371-R377 WeakPolarHBondContact O-CD 3.17Å; F371-R377 PolarHBondContact O-NH1 3.01Å; N373-R377 WeakPolarHBondContact O-CG 3.41Å; N373-R377 PolarHBondContact O-N 3.23Å; N373-R377 VanDerWaalsContact O-N 3.14Å; P374-R377 PolarHBondContact O-N 3.45Å; T375-R377 VanDerWaalsContact C-N 3.34Å; R377-Y379 VanDerWaalsContact C-N 3.32Å; R377-Y379 PolarHBondContact O-N 3.37Å; R377-A380 VanDerWaalsContact O-CB 3.31Å; R377-A380 WeakPolarHBondContact O-CB 3.46Å; R377-A380 PolarHBondContact O-N 3.45Å; R377-A380 VanDerWaalsContact O-N 3.12Å; R377-V381 WeakPolarHBondContact O-CG2 3.45Å; R377-V381 PolarHBondContact O-N 3.23Å; R377-A402 PolarHBondContact NH2-O 2.97Å; R377-E406 IonicContact CZ-OE1 3.79Å; R377-E406 IonicContact NE-OE1 2.91Å; R377-E406 PolarHBondContact NE-OE1 2.89Å; R377-E406 IonicContact NE-OE2 2.82Å; R377-E406 IonicContact NH2-OE1 2.9Å; R377-E406 PolarHBondContact NH2-OE1 3.3Å; R377-E406 VanDerWaalsContact NH2-OE1 3.17Å
378R91.6Very high91.8Very high71 Ų7140.9 Ų40.927%0.26822%0.216SC..Hα-helixtrans-62.6-37.4173.5-73.7174.8-165.6161.56.5112.6P374 T375 A380 V381 T382P374-R378 WeakPolarHBondContact O-CB 3.23Å; P374-R378 VanDerWaalsContact O-CG 3.26Å; P374-R378 WeakPolarHBondContact O-CG 3.24Å; P374-R378 PolarHBondContact O-N 2.57Å; T375-R378 PolarHBondContact O-N 2.95Å; R378-A380 VanDerWaalsContact C-N 3.34Å; R378-V381 PolarHBondContact O-N 2.97Å; R378-T382 PolarHBondContact O-N 2.98Å; R378-T382 PolarHBondContact O-OG1 3.04Å
379Y93.7Very high91.9Very high37 Ų3742.9 Ų42.915%0.14523%0.226CC..Hα-helixtrans-59.9-46.4171.4174.1-95.5000110.8L330 L352 M358 L366 T375 V376 R377 V381 T382 R383L330-Y379 HydrophobicContact CD2-CE1 3.63Å; L352-Y379 HydrophobicContact CD1-CD1 3.96Å; L352-Y379 HydrophobicContact CD1-CD2 4.25Å; L352-Y379 HydrophobicContact CD1-CE1 4.16Å; L352-Y379 HydrophobicContact CD1-CE2 4.43Å; L352-Y379 HydrophobicContact CD1-CG 4Å; L352-Y379 HydrophobicContact CD2-CG 4.24Å; L352-Y379 HydrophobicContact CG-CD2 4.24Å; L352-Y379 HydrophobicContact CG-CG 4.21Å; M358-Y379 HydrophobicContact CG-CE1 3.91Å; M358-Y379 PolarHBondContact N-OH 3.43Å; M358-Y379 HydrophobicContact SD-CD1 4.43Å; M358-Y379 HydrophobicContact SD-CE1 3.67Å; L366-Y379 HydrophobicContact CD1-CD1 3.88Å; L366-Y379 HydrophobicContact CD1-CE1 4.24Å; T375-Y379 PolarHBondContact O-N 2.94Å; V376-Y379 WeakPolarHBondContact O-CB 3.36Å; V376-Y379 PolarHBondContact O-N 3.33Å; R377-Y379 VanDerWaalsContact C-N 3.32Å; R377-Y379 PolarHBondContact O-N 3.37Å; Y379-V381 VanDerWaalsContact C-N 3.34Å; Y379-V381 PolarHBondContact O-N 2.83Å; Y379-T382 WeakPolarHBondContact O-CB 3.29Å; Y379-T382 PolarHBondContact O-N 3.3Å; Y379-T382 VanDerWaalsContact O-N 3.08Å; Y379-R383 HydrophobicContact CD1-CG 4.32Å; Y379-R383 HydrophobicContact CE1-CG 3.93Å; Y379-R383 WeakPolarHBondContact O-CG 3.31Å; Y379-R383 PolarHBondContact O-N 3.03Å
380A94.8Very high92Very high0 Ų046.3 Ų46.30%024%0.236CC..Hα-helixtrans-58-43.817500000112.3L366 L367 V376 R377 R378 T382 R383 L384L366-A380 HydrophobicContact CB-CB 3.76Å; L366-A380 HydrophobicContact CD1-CB 4.27Å; L367-A380 HydrophobicContact CD2-CB 3.86Å; L367-A380 HydrophobicContact CG-CB 4.04Å; V376-A380 PolarHBondContact O-N 2.71Å; R377-A380 VanDerWaalsContact O-CB 3.31Å; R377-A380 WeakPolarHBondContact O-CB 3.46Å; R377-A380 PolarHBondContact O-N 3.45Å; R377-A380 VanDerWaalsContact O-N 3.12Å; R378-A380 VanDerWaalsContact C-N 3.34Å; A380-T382 VanDerWaalsContact C-N 3.32Å; A380-T382 PolarHBondContact O-N 3.17Å; A380-R383 WeakPolarHBondContact O-CB 3.48Å; A380-R383 PolarHBondContact O-N 2.78Å; A380-R383 VanDerWaalsContact O-N 3.1Å; A380-L384 WeakPolarHBondContact O-CG 3.29Å; A380-L384 PolarHBondContact O-N 2.81Å
381V94.4Very high92.1Very high1 Ų143.3 Ų43.31%0.00622%0.223CC..Hα-helixtrans-60.6-40.2174.3174.70000111.7R377 R378 Y379 R383 L384 Q385 L466 F469R377-V381 WeakPolarHBondContact O-CG2 3.45Å; R377-V381 PolarHBondContact O-N 3.23Å; R378-V381 PolarHBondContact O-N 2.97Å; Y379-V381 VanDerWaalsContact C-N 3.34Å; Y379-V381 PolarHBondContact O-N 2.83Å; V381-R383 VanDerWaalsContact C-N 3.27Å; V381-R383 PolarHBondContact O-N 3.41Å; V381-L384 PolarHBondContact O-N 2.85Å; V381-L384 VanDerWaalsContact O-N 3.17Å; V381-Q385 WeakPolarHBondContact O-CG 3.36Å; V381-Q385 PolarHBondContact O-N 3.15Å; V381-L466 HydrophobicContact CG2-CB 4.01Å; V381-L466 HydrophobicContact CG2-CD1 4.27Å; V381-F469 HydrophobicContact CG1-CB 3.6Å; V381-F469 HydrophobicContact CG1-CD1 4.37Å; V381-F469 HydrophobicContact CG1-CD2 4.23Å; V381-F469 HydrophobicContact CG1-CG 3.82Å
382T93.3Very high92.2Very high47 Ų4743.1 Ų43.129%0.28822%0.222SC..Hα-helixtrans-63.3-34.4175.7-52.40000111.5R378 Y379 A380R378-T382 PolarHBondContact O-N 2.98Å; R378-T382 PolarHBondContact O-OG1 3.04Å; Y379-T382 WeakPolarHBondContact O-CB 3.29Å; Y379-T382 PolarHBondContact O-N 3.3Å; Y379-T382 VanDerWaalsContact O-N 3.08Å; A380-T382 VanDerWaalsContact C-N 3.32Å; A380-T382 PolarHBondContact O-N 3.17Å
383R93.7Very high92.4Very high26 Ų2640.2 Ų40.210%0.09820%0.203CC..Hα-helixtrans-69.2-44.5171.7-54.6-49.2-64.5139.48.5111.2M358 Y379 A380 V381 Q385 Q386M358-R383 HydrophobicContact CG-CG 3.95Å; M358-R383 PolarHBondContact O-NE 3.17Å; M358-R383 PolarHBondContact O-NH2 2.64Å; Y379-R383 HydrophobicContact CD1-CG 4.32Å; Y379-R383 HydrophobicContact CE1-CG 3.93Å; Y379-R383 WeakPolarHBondContact O-CG 3.31Å; Y379-R383 PolarHBondContact O-N 3.03Å; A380-R383 WeakPolarHBondContact O-CB 3.48Å; A380-R383 PolarHBondContact O-N 2.78Å; A380-R383 VanDerWaalsContact O-N 3.1Å; V381-R383 VanDerWaalsContact C-N 3.27Å; V381-R383 PolarHBondContact O-N 3.41Å; R383-Q385 PolarHBondContact O-N 2.84Å; R383-Q386 VanDerWaalsContact CZ-OE1 3.25Å; R383-Q386 WeakPolarHBondContact O-CB 3.25Å; R383-Q386 PolarHBondContact O-N 2.76Å
384L93.6Very high92.5Very high0 Ų041.1 Ų41.10%021%0.206CC..Hα-helixtrans-61.8-26.1177.2-70.9178.3000113.9V360 L364 L367 A380 V381 Q386 A387 L399 L466 F469V360-L384 HydrophobicContact CG1-CD2 3.95Å; L364-L384 HydrophobicContact CD2-CD2 3.91Å; L367-L384 HydrophobicContact CD1-CD1 3.56Å; A380-L384 WeakPolarHBondContact O-CG 3.29Å; A380-L384 PolarHBondContact O-N 2.81Å; V381-L384 PolarHBondContact O-N 2.85Å; V381-L384 VanDerWaalsContact O-N 3.17Å; L384-Q386 PolarHBondContact O-N 3.15Å; L384-A387 WeakPolarHBondContact O-CB 3.34Å; L384-A387 PolarHBondContact O-N 3.47Å; L384-L399 HydrophobicContact CD1-CD1 4.42Å; L384-L399 HydrophobicContact CD1-CD2 3.75Å; L384-L466 HydrophobicContact CD1-CD1 4.32Å; L384-F469 HydrophobicContact CB-CE1 3.95Å; L384-F469 HydrophobicContact CB-CZ 3.99Å; L384-F469 HydrophobicContact CD1-CE1 4.46Å
385Q92Very high92.7Very high45 Ų4539 Ų3921%0.2119%0.192CC..THydrogen-bonded Turntrans-60.3-25.6173.6-75.9172.1-5.200113V381 R383 A387 F469V381-Q385 WeakPolarHBondContact O-CG 3.36Å; V381-Q385 PolarHBondContact O-N 3.15Å; R383-Q385 PolarHBondContact O-N 2.84Å; Q385-A387 VanDerWaalsContact C-N 3.3Å; Q385-F469 HydrophobicContact CB-CE2 4.27Å; Q385-F469 HydrophobicContact CG-CD2 3.72Å; Q385-F469 HydrophobicContact CG-CE2 3.56Å
386Q91.5Very high92.9Very high127 Ų12736.3 Ų36.359%0.59318%0.175SC*.THydrogen-bonded Turntrans-80.9-11.4177.7-53-172.9-14.300112.8V360 R383 L384V360-Q386 HydrophobicContact CG2-CB 4.4Å; R383-Q386 VanDerWaalsContact CZ-OE1 3.25Å; R383-Q386 WeakPolarHBondContact O-CB 3.25Å; R383-Q386 PolarHBondContact O-N 2.76Å; L384-Q386 PolarHBondContact O-N 3.15Å
387A91.9Very high93Very high6 Ų636.8 Ų36.85%0.0518%0.178CC..SBendtrans-71.3139.6177.400000111V360 L384 Q385 R473V360-A387 HydrophobicContact CG1-CB 3.72Å; L384-A387 WeakPolarHBondContact O-CB 3.34Å; L384-A387 PolarHBondContact O-N 3.47Å; Q385-A387 VanDerWaalsContact C-N 3.3Å; A387-R473 PolarHBondContact O-NH2 2.91Å
388D92.8Very high93.1Very high77 Ų7736.6 Ų36.641%0.41218%0.177SC..  trans-70.4166.6169.971.910.1000111.3E390 D391 L392D388-E390 PolarHBondContact O-N 2.77Å; D388-E390 PolarHBondContact OD1-N 2.97Å; D388-D391 WeakPolarHBondContact OD1-CB 3.44Å; D388-D391 PolarHBondContact OD1-N 3.11Å; D388-L392 WeakPolarHBondContact O-CB 3.46Å; D388-L392 PolarHBondContact O-N 3.25Å
389D92.6Very high93.3Very high46 Ų4633.2 Ų33.225%0.24617%0.165CC..Hα-helixtrans-68.7-25.9-176.9-68.61.3000111.9L393 R473 N477 L480D389-L393 WeakPolarHBondContact O-CB 3.3Å; D389-L393 WeakPolarHBondContact O-CD1 3.17Å; D389-L393 WeakPolarHBondContact O-CG 3.4Å; D389-L393 PolarHBondContact O-N 3.21Å; D389-R473 IonicContact OD1-CZ 2.64Å; D389-R473 IonicContact OD1-NH1 3.34Å; D389-R473 PolarHBondContact OD1-NH1 3.45Å; D389-R473 IonicContact OD1-NH2 3.66Å; D389-R473 PolarHBondContact OD1-NH2 2.7Å; D389-R473 IonicContact OD2-NH1 2.88Å; D389-N477 PolarHBondContact OD2-ND2 2.7Å; D389-L480 HydrophobicContact CB-CD1 4.05Å
390E90.8Very high93.4Very high130 Ų13031.5 Ų31.561%0.60716%0.158SC*.Hα-helixtrans-73.3-45.2179.6-66.3-167.4175.700112.1D388 L393 M394D388-E390 PolarHBondContact O-N 2.77Å; D388-E390 PolarHBondContact OD1-N 2.97Å; E390-L393 PolarHBondContact O-N 2.72Å; E390-M394 WeakPolarHBondContact O-CG 3.13Å; E390-M394 PolarHBondContact O-N 3.04Å
391D90.4Very high93.4Very high42 Ų4231.6 Ų31.623%0.22516%0.158CC..Hα-helixtrans-64.9-42.6172.9-72.8-22.4000110.4D388 L393 M394 Y395 K647D388-D391 WeakPolarHBondContact OD1-CB 3.44Å; D388-D391 PolarHBondContact OD1-N 3.11Å; D391-L393 VanDerWaalsContact C-N 3.29Å; D391-L393 PolarHBondContact O-N 3.12Å; D391-M394 WeakPolarHBondContact O-CA 3.46Å; D391-M394 WeakPolarHBondContact O-CB 3.44Å; D391-M394 PolarHBondContact O-N 3.31Å; D391-Y395 HydrophobicContact CB-CE2 4.12Å; D391-Y395 WeakPolarHBondContact O-CD2 3.31Å; D391-Y395 PolarHBondContact O-N 3.36Å; D391-K647 WeakPolarHBondContact OD1-CE 3.03Å; D391-K647 IonicContact OD1-NZ 3.68Å; D391-K647 PolarHBondContact OD1-NZ 2.95Å
392L93.1Very high93.4Very high2 Ų231.6 Ų31.61%0.0116%0.158CC..Hα-helixtrans-60.6-40.1177.5-171.764.7000111.8D388 M394 Y395 L396 L399 F469 R473 L480D388-L392 WeakPolarHBondContact O-CB 3.46Å; D388-L392 PolarHBondContact O-N 3.25Å; L392-M394 VanDerWaalsContact C-N 3.27Å; L392-M394 PolarHBondContact O-N 3.22Å; L392-Y395 PolarHBondContact O-N 3.35Å; L392-Y395 VanDerWaalsContact O-N 3.17Å; L392-L396 WeakPolarHBondContact O-CA 3.39Å; L392-L396 WeakPolarHBondContact O-CB 3.34Å; L392-L396 PolarHBondContact O-N 3.33Å; L392-L399 HydrophobicContact CD1-CD1 3.36Å; L392-F469 HydrophobicContact CD1-CE1 4.05Å; L392-F469 HydrophobicContact CD1-CZ 4.36Å; L392-F469 HydrophobicContact CD2-CE1 4.41Å; L392-F469 HydrophobicContact CD2-CZ 4.28Å; L392-R473 HydrophobicContact CD2-CB 4.17Å; L392-R473 HydrophobicContact CD2-CG 4.28Å; L392-L480 HydrophobicContact CB-CD2 4.5Å; L392-L480 HydrophobicContact CD2-CD1 4Å; L392-L480 HydrophobicContact CD2-CD2 4.13Å; L392-L480 HydrophobicContact CG-CD2 4.2Å
393L92.7Very high93.4Very high43 Ų4329.4 Ų29.423%0.22515%0.145CC..Hα-helixtrans-59.6-36.9173.5-80.7167.6000112.2D389 E390 D391 Y395 L396 T479 L480 Y483D389-L393 WeakPolarHBondContact O-CB 3.3Å; D389-L393 WeakPolarHBondContact O-CD1 3.17Å; D389-L393 WeakPolarHBondContact O-CG 3.4Å; D389-L393 PolarHBondContact O-N 3.21Å; E390-L393 PolarHBondContact O-N 2.72Å; D391-L393 VanDerWaalsContact C-N 3.29Å; D391-L393 PolarHBondContact O-N 3.12Å; L393-Y395 VanDerWaalsContact C-N 3.26Å; L393-Y395 PolarHBondContact O-N 3.46Å; L393-L396 HydrophobicContact CD2-CD2 4.42Å; L393-L396 PolarHBondContact O-N 3.39Å; L393-T479 HydrophobicContact CD1-CG2 3.97Å; L393-T479 HydrophobicContact CD2-CG2 4.23Å; L393-L480 HydrophobicContact CD2-CD2 3.54Å; L393-L480 HydrophobicContact CD2-CG 4.08Å; L393-L480 HydrophobicContact CG-CD2 3.62Å; L393-L480 HydrophobicContact CG-CG 4.14Å; L393-Y483 HydrophobicContact CD2-CD2 3.51Å; L393-Y483 HydrophobicContact CD2-CE2 4.13Å; L393-Y483 HydrophobicContact CD2-CG 4.44Å
394M92.1Very high93.3Very high50 Ų5029.8 Ų29.825%0.24615%0.147CC..Hα-helixtrans-69.1-22.1178.2-65.1-66.5-179.700113.2E390 D391 L392 Q640 K647E390-M394 WeakPolarHBondContact O-CG 3.13Å; E390-M394 PolarHBondContact O-N 3.04Å; D391-M394 WeakPolarHBondContact O-CA 3.46Å; D391-M394 WeakPolarHBondContact O-CB 3.44Å; D391-M394 PolarHBondContact O-N 3.31Å; L392-M394 VanDerWaalsContact C-N 3.27Å; L392-M394 PolarHBondContact O-N 3.22Å; M394-Q640 PolarHBondContact O-NE2 3.18Å; M394-K647 HydrophobicContact CE-CD 4.43Å
395Y94.3Very high93.1Very high4 Ų431.4 Ų31.42%0.01615%0.153CC..Hα-helixtrans-108.8-5.4179.6-46.5-39000113.3L364 D391 L392 L393 L397 Q398 L399 L644 L806 L810L364-Y395 HydrophobicContact CD1-CD1 4.19Å; L364-Y395 HydrophobicContact CD1-CD2 4Å; L364-Y395 HydrophobicContact CD1-CE1 4.42Å; L364-Y395 HydrophobicContact CD1-CE2 4.24Å; L364-Y395 HydrophobicContact CD1-CG 3.98Å; L364-Y395 HydrophobicContact CD2-CD2 4.49Å; D391-Y395 HydrophobicContact CB-CE2 4.12Å; D391-Y395 WeakPolarHBondContact O-CD2 3.31Å; D391-Y395 PolarHBondContact O-N 3.36Å; L392-Y395 PolarHBondContact O-N 3.35Å; L392-Y395 VanDerWaalsContact O-N 3.17Å; L393-Y395 VanDerWaalsContact C-N 3.26Å; L393-Y395 PolarHBondContact O-N 3.46Å; Y395-L397 VanDerWaalsContact C-N 3.31Å; Y395-L397 PolarHBondContact O-N 3.21Å; Y395-Q398 WeakPolarHBondContact O-CB 3.38Å; Y395-Q398 PolarHBondContact O-N 3.34Å; Y395-Q398 PolarHBondContact O-OE1 3.43Å; Y395-L399 WeakPolarHBondContact O-CG 3.26Å; Y395-L399 PolarHBondContact O-N 3.09Å; Y395-L644 HydrophobicContact CE1-CD1 4.06Å; Y395-L644 HydrophobicContact CE1-CD2 4.35Å; Y395-L806 HydrophobicContact CE1-CD1 3.95Å; Y395-L806 HydrophobicContact CE1-CD2 4.38Å; Y395-L810 HydrophobicContact CD1-CD1 3.97Å; Y395-L810 HydrophobicContact CD1-CD2 3.6Å; Y395-L810 HydrophobicContact CD1-CG 4.38Å; Y395-L810 HydrophobicContact CE1-CD1 4.09Å; Y395-L810 HydrophobicContact CE1-CD2 4.38Å; Y395-L810 HydrophobicContact CG-CD2 4.18Å
396L95.8Very high93Very high4 Ų430.1 Ų30.12%0.02115%0.147CC..Hα-helixtrans-58-40.7-168.2-177.362.2000112.9L392 L393 Q398 L399 V400 L470 L480 L484 Y487L392-L396 WeakPolarHBondContact O-CA 3.39Å; L392-L396 WeakPolarHBondContact O-CB 3.34Å; L392-L396 PolarHBondContact O-N 3.33Å; L393-L396 HydrophobicContact CD2-CD2 4.42Å; L393-L396 PolarHBondContact O-N 3.39Å; L396-Q398 VanDerWaalsContact C-N 3.32Å; L396-Q398 PolarHBondContact O-N 2.55Å; L396-L399 PolarHBondContact O-N 3.37Å; L396-V400 HydrophobicContact CD1-CG2 4.48Å; L396-V400 WeakPolarHBondContact O-CG2 3.37Å; L396-V400 PolarHBondContact O-N 3.01Å; L396-L470 HydrophobicContact CD1-CD2 3.96Å; L396-L480 HydrophobicContact CD2-CD2 4.15Å; L396-L484 HydrophobicContact CD1-CD1 4.35Å; L396-L484 HydrophobicContact CD2-CB 4.44Å; L396-Y487 HydrophobicContact CB-CE2 4.14Å; L396-Y487 HydrophobicContact CD2-CD2 4.17Å; L396-Y487 HydrophobicContact CD2-CE2 4.03Å; L396-Y487 HydrophobicContact CG-CD2 3.97Å; L396-Y487 HydrophobicContact CG-CE2 4Å
397L94.8Very high92.8Very high11 Ų1127.4 Ų27.46%0.05814%0.137CC..Hα-helixtrans-58.8-46.2177-177.162.8000111.2Y395 V400 Q401 Y487 L637 M814Y395-L397 VanDerWaalsContact C-N 3.31Å; Y395-L397 PolarHBondContact O-N 3.21Å; L397-V400 PolarHBondContact O-N 3.44Å; L397-Q401 WeakPolarHBondContact O-CG 3.43Å; L397-Q401 PolarHBondContact O-N 3.09Å; L397-Q401 VanDerWaalsContact O-N 3.15Å; L397-Y487 HydrophobicContact CB-CD2 4.21Å; L397-Y487 HydrophobicContact CB-CE2 3.94Å; L397-Y487 HydrophobicContact CD1-CD1 4.19Å; L397-Y487 HydrophobicContact CD1-CD2 4.1Å; L397-Y487 HydrophobicContact CD1-CE1 4.48Å; L397-Y487 HydrophobicContact CD1-CE2 4.38Å; L397-Y487 HydrophobicContact CD1-CG 4Å; L397-L637 HydrophobicContact CD2-CB 4.36Å; L397-L637 HydrophobicContact CD2-CD1 4.33Å; L397-M814 HydrophobicContact CD2-CE 4.07Å; L397-M814 HydrophobicContact CG-CE 4.12Å; L397-M814 HydrophobicContact CG-SD 4.27Å
398Q95.3Very high92.6Very high0 Ų029.6 Ų29.60%015%0.145CC..Hα-helixtrans-68.1-37.5179.5-65.671.920.500111.4Y395 L396 Q401 A402 L637 L810 L813 M814Y395-Q398 WeakPolarHBondContact O-CB 3.38Å; Y395-Q398 PolarHBondContact O-N 3.34Å; Y395-Q398 PolarHBondContact O-OE1 3.43Å; L396-Q398 VanDerWaalsContact C-N 3.32Å; L396-Q398 PolarHBondContact O-N 2.55Å; Q398-Q401 PolarHBondContact O-N 2.96Å; Q398-A402 WeakPolarHBondContact O-CB 3.46Å; Q398-A402 PolarHBondContact O-N 2.73Å; Q398-L637 VanDerWaalsContact NE2-CD1 3.32Å; Q398-L810 HydrophobicContact CB-CD2 4Å; Q398-L810 HydrophobicContact CG-CB 4.06Å; Q398-L810 HydrophobicContact CG-CD2 3.68Å; Q398-L810 HydrophobicContact CG-CG 4.47Å; Q398-L810 WeakPolarHBondContact CG-O 3.15Å; Q398-L813 HydrophobicContact CB-CB 3.93Å; Q398-L813 HydrophobicContact CB-CD1 3.92Å; Q398-L813 HydrophobicContact CG-CB 4.42Å; Q398-M814 HydrophobicContact CB-SD 4.39Å; Q398-M814 HydrophobicContact CG-CG 3.9Å; Q398-M814 HydrophobicContact CG-SD 3.82Å
399L96.4Very high92.1Very high0 Ų030.8 Ų30.80%015%0.152CC..Hα-helixtrans-66.5-36.1175.4-65.9175.2000112.2L364 L367 L384 L392 Y395 L396 Q401 A402 L403 L466 L470L364-L399 HydrophobicContact CD2-CD2 3.77Å; L367-L399 HydrophobicContact CD1-CD2 3.56Å; L384-L399 HydrophobicContact CD1-CD1 4.42Å; L384-L399 HydrophobicContact CD1-CD2 3.75Å; L392-L399 HydrophobicContact CD1-CD1 3.36Å; Y395-L399 WeakPolarHBondContact O-CG 3.26Å; Y395-L399 PolarHBondContact O-N 3.09Å; L396-L399 PolarHBondContact O-N 3.37Å; L399-Q401 VanDerWaalsContact C-N 3.32Å; L399-A402 PolarHBondContact O-N 3.06Å; L399-L403 PolarHBondContact O-N 3.1Å; L399-L466 HydrophobicContact CD2-CD1 4.31Å; L399-L470 HydrophobicContact CB-CD1 4.27Å; L399-L470 HydrophobicContact CB-CD2 4.17Å; L399-L470 HydrophobicContact CD1-CD2 4.08Å
400V95.7Very high91.5Very high0 Ų030.8 Ų30.80%015%0.152CC..Hα-helixtrans-64.9-37.2172.3171.10000111.1L396 L397 L403 L484 Y487 V488 Y508L396-V400 HydrophobicContact CD1-CG2 4.48Å; L396-V400 WeakPolarHBondContact O-CG2 3.37Å; L396-V400 PolarHBondContact O-N 3.01Å; L397-V400 PolarHBondContact O-N 3.44Å; V400-L403 WeakPolarHBondContact O-CB 3.46Å; V400-L484 HydrophobicContact CG2-CD1 3.7Å; V400-Y487 HydrophobicContact CG2-CD2 4.49Å; V400-V488 HydrophobicContact CG1-CG2 4.01Å; V400-V488 HydrophobicContact CG2-CG2 4.35Å; V400-Y508 HydrophobicContact CG1-CE1 3.98Å; V400-Y508 WeakPolarHBondContact O-CE1 3.36Å; V400-Y508 PolarHBondContact O-OH 2.92Å
401Q94.1Very high91.1Very high3 Ų324.7 Ų24.71%0.01412%0.124CC..Hα-helixtrans-69-37.5172.9-63.6-56.8-49.100112.2L397 Q398 L399 L403 K404 E491 L813 M814 A817L397-Q401 WeakPolarHBondContact O-CG 3.43Å; L397-Q401 PolarHBondContact O-N 3.09Å; L397-Q401 VanDerWaalsContact O-N 3.15Å; Q398-Q401 PolarHBondContact O-N 2.96Å; L399-Q401 VanDerWaalsContact C-N 3.32Å; Q401-L403 PolarHBondContact O-N 3.37Å; Q401-L403 VanDerWaalsContact O-N 3.08Å; Q401-K404 VanDerWaalsContact O-CB 3.31Å; Q401-K404 WeakPolarHBondContact O-CB 3.4Å; Q401-K404 WeakPolarHBondContact O-CG 3.41Å; Q401-K404 PolarHBondContact O-N 3.04Å; Q401-E491 PolarHBondContact NE2-OE1 3.22Å; Q401-L813 VanDerWaalsContact CB-O 3.29Å; Q401-L813 WeakPolarHBondContact CB-O 3.29Å; Q401-M814 HydrophobicContact CB-SD 4.27Å; Q401-M814 HydrophobicContact CG-CE 3.91Å; Q401-M814 HydrophobicContact CG-SD 3.57Å; Q401-M814 VanDerWaalsContact CG-SD 3.57Å; Q401-A817 HydrophobicContact CG-CB 4.24Å
402A94.6Very high90.5Very high0 Ų028.9 Ų28.90%014%0.142CC..Hα-helixtrans-61.7-19.1179.200000113.8L367 R377 Q398 L399 K404 Y405 L466 L813L367-A402 HydrophobicContact CB-CB 4.18Å; R377-A402 PolarHBondContact NH2-O 2.97Å; Q398-A402 WeakPolarHBondContact O-CB 3.46Å; Q398-A402 PolarHBondContact O-N 2.73Å; L399-A402 PolarHBondContact O-N 3.06Å; A402-K404 PolarHBondContact O-N 2.84Å; A402-Y405 PolarHBondContact O-N 2.91Å; A402-L466 HydrophobicContact CB-CD2 3.9Å; A402-L813 HydrophobicContact CB-CD2 4.07Å
403L93.4Very high89.2Confident1 Ų133.9 Ų33.91%0.00518%0.176CC..G310 helixtrans-59.8-23.5171.6-65.2173.2000113L399 V400 Q401 Y405 E406 L466 C467 L470 M507 Y508 V511L399-L403 PolarHBondContact O-N 3.1Å; V400-L403 WeakPolarHBondContact O-CB 3.46Å; Q401-L403 PolarHBondContact O-N 3.37Å; Q401-L403 VanDerWaalsContact O-N 3.08Å; L403-Y405 PolarHBondContact O-N 3.22Å; L403-E406 HydrophobicContact CD2-CG 4.46Å; L403-E406 PolarHBondContact O-N 3.05Å; L403-L466 HydrophobicContact CD2-CB 4.22Å; L403-L466 HydrophobicContact CD2-CD2 3.99Å; L403-L466 HydrophobicContact CD2-CG 3.92Å; L403-L466 HydrophobicContact CG-CD2 4.48Å; L403-C467 HydrophobicContact CD2-CB 3.86Å; L403-L470 HydrophobicContact CD1-CD1 4.31Å; L403-L470 HydrophobicContact CD2-CD1 4.36Å; L403-L470 HydrophobicContact CG-CD1 4.44Å; L403-M507 HydrophobicContact CB-CE 4.02Å; L403-M507 HydrophobicContact CB-SD 4.12Å; L403-Y508 HydrophobicContact CB-CE1 4.48Å; L403-Y508 HydrophobicContact CD1-CE1 4.39Å; L403-V511 HydrophobicContact CD1-CG1 4.24Å; L403-V511 HydrophobicContact CD1-CG2 4.24Å
404K90.9Very high87.8Confident35 Ų3532.7 Ų32.715%0.15217%0.173CC..G310 helixtrans-62.9-24.5173.7-67.2174.8173.2168.40112.8Q401 A402 E491 T504 M507 Y508 D816Q401-K404 VanDerWaalsContact O-CB 3.31Å; Q401-K404 WeakPolarHBondContact O-CB 3.4Å; Q401-K404 WeakPolarHBondContact O-CG 3.41Å; Q401-K404 PolarHBondContact O-N 3.04Å; A402-K404 PolarHBondContact O-N 2.84Å; K404-E491 IonicContact NZ-OE2 2.95Å; K404-E491 PolarHBondContact NZ-OE2 3.25Å; K404-T504 HydrophobicContact CD-CG2 4.32Å; K404-T504 HydrophobicContact CG-CG2 3.88Å; K404-M507 HydrophobicContact CG-CE 4.39Å; K404-Y508 VanDerWaalsContact CE-OH 3.32Å; K404-Y508 WeakPolarHBondContact CE-OH 3.23Å; K404-Y508 HydrophobicContact CG-CE2 4.1Å; K404-Y508 WeakPolarHBondContact CG-OH 3.44Å; K404-D816 PolarHBondContact NZ-O 2.84Å
405Y90.9Very high85.9Confident33 Ų3333 Ų3313%0.12918%0.176CC..G310 helixtrans-98.2-1.9-177.7-48.5-49.2000113.3L367 A402 L403 D816L367-Y405 WeakPolarHBondContact O-CD2 3.44Å; A402-Y405 PolarHBondContact O-N 2.91Å; L403-Y405 PolarHBondContact O-N 3.22Å; Y405-D816 HydrophobicContact CE1-CB 4.47Å; Y405-D816 WeakPolarHBondContact CE1-OD2 3.26Å; Y405-D816 VanDerWaalsContact CZ-OD2 3.22Å; Y405-D816 WeakPolarHBondContact OH-CB 3.03Å; Y405-D816 VanDerWaalsContact OH-CG 3.29Å; Y405-D816 PolarHBondContact OH-OD2 3.43Å
406E89.4Confident83.5Confident18 Ų1838.6 Ų38.68%0.08420%0.202CC..SBendtrans-77.3160.7174.2-75-64.8159.900111.9R377 L403 F408 I411 L466R377-E406 IonicContact CZ-OE1 3.79Å; R377-E406 IonicContact NE-OE1 2.91Å; R377-E406 PolarHBondContact NE-OE1 2.89Å; R377-E406 IonicContact NE-OE2 2.82Å; R377-E406 IonicContact NH2-OE1 2.9Å; R377-E406 PolarHBondContact NH2-OE1 3.3Å; R377-E406 VanDerWaalsContact NH2-OE1 3.17Å; L403-E406 HydrophobicContact CD2-CG 4.46Å; L403-E406 PolarHBondContact O-N 3.05Å; E406-F408 VanDerWaalsContact O-CD1 3.24Å; E406-F408 WeakPolarHBondContact O-CD1 3.29Å; E406-F408 PolarHBondContact O-N 3.39Å; E406-I411 HydrophobicContact CB-CD1 3.77Å; E406-I411 HydrophobicContact CB-CG1 4.27Å; E406-L466 HydrophobicContact CG-CB 4.24Å; E406-L466 WeakPolarHBondContact OE1-CB 3.44Å
407N86.8Confident80.5Confident70 Ų7043 Ų4337%0.37423%0.231SC..  trans-72114.5169.6-175.8-13.3000110.1N409 D410 I411N407-N409 PolarHBondContact O-N 3Å; N407-N409 WeakPolarHBondContact OD1-CB 3.4Å; N407-N409 PolarHBondContact OD1-N 3.41Å; N407-D410 HydrophobicContact CB-CB 4.23Å; N407-D410 WeakPolarHBondContact CB-OD2 3.43Å; N407-D410 WeakPolarHBondContact O-CB 3.26Å; N407-D410 PolarHBondContact O-N 2.96Å; N407-I411 PolarHBondContact O-N 3.4Å
408F87.1Confident77.8Confident52 Ų5245.8 Ų45.823%0.22826%0.263CS..Hα-helixtrans-64.2-26.2-176.2-63.2-6.2000113.4E406 D410 I411 Q412 K503 M507E406-F408 VanDerWaalsContact O-CD1 3.24Å; E406-F408 WeakPolarHBondContact O-CD1 3.29Å; E406-F408 PolarHBondContact O-N 3.39Å; F408-D410 VanDerWaalsContact C-N 3.34Å; F408-I411 HydrophobicContact CD1-CD1 4.38Å; F408-I411 PolarHBondContact O-N 3.1Å; F408-Q412 WeakPolarHBondContact O-CB 3.28Å; F408-Q412 PolarHBondContact O-N 2.94Å; F408-K503 HydrophobicContact CD2-CB 4.09Å; F408-K503 HydrophobicContact CE2-CB 3.78Å; F408-M507 HydrophobicContact CD1-CB 4.12Å; F408-M507 HydrophobicContact CD1-CG 3.69Å; F408-M507 HydrophobicContact CD2-CB 4.2Å; F408-M507 HydrophobicContact CE1-CB 4.2Å; F408-M507 HydrophobicContact CE1-CE 4.33Å; F408-M507 HydrophobicContact CE1-CG 3.87Å; F408-M507 HydrophobicContact CE2-CB 4.27Å; F408-M507 HydrophobicContact CG-CB 4.14Å; F408-M507 HydrophobicContact CG-CG 4.13Å; F408-M507 HydrophobicContact CZ-CB 4.27Å; F408-M507 HydrophobicContact CZ-CG 4.42Å
409N82.9Confident74.5Confident103 Ų10348.6 Ų48.655%0.55129%0.291SS*.Hα-helixtrans-67.4-38.3174.2-67.4-26.9000111.1N407 I411 Q412 C413N407-N409 PolarHBondContact O-N 3Å; N407-N409 WeakPolarHBondContact OD1-CB 3.4Å; N407-N409 PolarHBondContact OD1-N 3.41Å; N409-I411 VanDerWaalsContact C-N 3.34Å; N409-Q412 PolarHBondContact O-N 3.08Å; N409-C413 WeakPolarHBondContact O-CB 3.35Å; N409-C413 PolarHBondContact O-N 2.92Å; N409-C413 PolarHBondContact O-SG 3.25Å; N409-C413 VanDerWaalsContact O-SG 3.38Å
410D79.8Confident71.2Confident46 Ų4657.7 Ų57.725%0.24633%0.331CS..Hα-helixtrans-66.9-40.3177.6-64.2-14.8000110.2N407 F408 Q412 G414N407-D410 HydrophobicContact CB-CB 4.23Å; N407-D410 WeakPolarHBondContact CB-OD2 3.43Å; N407-D410 WeakPolarHBondContact O-CB 3.26Å; N407-D410 PolarHBondContact O-N 2.96Å; F408-D410 VanDerWaalsContact C-N 3.34Å; D410-Q412 VanDerWaalsContact C-N 3.35Å; D410-Q412 PolarHBondContact O-N 3.17Å; D410-G414 PolarHBondContact O-N 2.9Å
411I81.9Confident68Low2 Ų267.5 Ų67.51%0.0137%0.368CS..Hα-helixtrans-61.2-43.8172.6-63.2176.9000110.9E406 N407 F408 N409 C467 M507 V511 R514E406-I411 HydrophobicContact CB-CD1 3.77Å; E406-I411 HydrophobicContact CB-CG1 4.27Å; N407-I411 PolarHBondContact O-N 3.4Å; F408-I411 HydrophobicContact CD1-CD1 4.38Å; F408-I411 PolarHBondContact O-N 3.1Å; N409-I411 VanDerWaalsContact C-N 3.34Å; I411-C467 HydrophobicContact CG1-CB 4.21Å; I411-C467 HydrophobicContact CG2-CB 4.46Å; I411-M507 HydrophobicContact CD1-CG 3.62Å; I411-M507 HydrophobicContact CD1-SD 3.86Å; I411-M507 HydrophobicContact CG2-CG 4.41Å; I411-V511 HydrophobicContact CG2-CG2 3.93Å; I411-R514 WeakPolarHBondContact O-CD 3.42Å; I411-R514 PolarHBondContact O-NH1 2.91Å
412Q79Confident64.7Low129 Ų12974.1 Ų74.160%0.60340%0.404SS*.Hα-helixtrans-70.9-42.4-176.1177.6173.2-3.500113.2F408 N409 D410 G414 N510F408-Q412 WeakPolarHBondContact O-CB 3.28Å; F408-Q412 PolarHBondContact O-N 2.94Å; N409-Q412 PolarHBondContact O-N 3.08Å; D410-Q412 VanDerWaalsContact C-N 3.35Å; D410-Q412 PolarHBondContact O-N 3.17Å; Q412-G414 VanDerWaalsContact C-N 3.28Å; Q412-G414 PolarHBondContact O-N 3.4Å; Q412-N510 WeakPolarHBondContact CA-ND2 3.3Å
413C65.5Low61.9Low108 Ų10880 Ų8073%0.7344%0.444SS*.Hα-helixtrans-73.8-21.7-176.6-71.10000112.7N409N409-C413 WeakPolarHBondContact O-CB 3.35Å; N409-C413 PolarHBondContact O-N 2.92Å; N409-C413 PolarHBondContact O-SG 3.25Å; N409-C413 VanDerWaalsContact O-SG 3.38Å
414G62.9Low58.8Low17 Ų1788.9 Ų88.918%0.17549%0.486CS..  trans58.9107.1177.200000112.4D410 Q412 E416D410-G414 PolarHBondContact O-N 2.9Å; Q412-G414 VanDerWaalsContact C-N 3.28Å; Q412-G414 PolarHBondContact O-N 3.4Å; G414-E416 PolarHBondContact O-N 2.87Å
415L53.2Low55.7Low56 Ų5690.8 Ų90.829%0.29352%0.515SS..  trans-65.590.5167.2-69.2164.8000108.2P417 E463 D465L415-P417 WeakPolarHBondContact O-CD 3.38Å; L415-E463 VanDerWaalsContact CD1-O 3.24Å; L415-E463 WeakPolarHBondContact CD1-O 3.45Å; L415-D465 HydrophobicContact CD1-CB 4.47Å
416E42.4Very low52.7Low123 Ų12397.8 Ų97.858%0.57555%0.554SS**  trans-59.2122.8177.4-77.8-80.6167.300108.4G414 G418 K521G414-E416 PolarHBondContact O-N 2.87Å; E416-G418 PolarHBondContact O-N 3.37Å; E416-K521 IonicContact OE1-NZ 3.94Å; E416-K521 PolarHBondContact OE1-NZ 2.96Å; E416-K521 IonicContact OE2-NZ 3.75Å
417P34.1Very low49.7Very low95 Ų95101.8 Ų101.862%0.61759%0.591SS**THydrogen-bonded Turntrans-70.798.7177.724.7-25.7000108.8L415L415-P417 WeakPolarHBondContact O-CD 3.38Å
418G37Very low46.9Very low71 Ų71107.2 Ų107.273%0.73261%0.613SS**THydrogen-bonded Turntrans116.77.5170.100000117.3E416 K420E416-G418 PolarHBondContact O-N 3.37Å; G418-K420 PolarHBondContact O-N 3.47Å
419G26.6Very low43.9Very low58 Ų58110.8 Ų110.860%0.59865%0.645SS**  trans-82.4108.9173.500000112R421G419-R421 PolarHBondContact O-N 3.37Å
420K26.2Very low41.2Very low191 Ų191111.3 Ų111.383%0.8366%0.657SS**  trans-52.2122.4164.1-71.4-179.9177.5179.30108.1G418 D422G418-K420 PolarHBondContact O-N 3.47Å; K420-D422 VanDerWaalsContact C-N 3.33Å; K420-D422 PolarHBondContact O-N 3.12Å
421R28.8Very low38.6Very low207 Ų207115.8 Ų115.878%0.78169%0.686SS**  trans-66.899.3165.3-72.8-173.9-162.8168.710.3106.8G419 S423G419-R421 PolarHBondContact O-N 3.37Å; R421-S423 PolarHBondContact O-N 3.38Å
422D25.7Very low36Very low142 Ų142124.3 Ų124.376%0.75973%0.73SS**  trans-69115160.5-79.7-33000107.7K420 Q424K420-D422 VanDerWaalsContact C-N 3.33Å; K420-D422 PolarHBondContact O-N 3.12Å; D422-Q424 PolarHBondContact O-N 2.92Å
423S35.6Very low33.5Very low123 Ų123121.8 Ų121.886%0.8674%0.74SS**  trans-64.690.5171.3-41.70000109.8R421R421-S423 PolarHBondContact O-N 3.38Å
424Q28.1Very low31.5Very low187 Ų187123.9 Ų123.987%0.87474%0.743SS**  trans-136.4103.2159.4-71.6-177.1-800105.5D422D422-Q424 PolarHBondContact O-N 2.92Å
425G26.6Very low29.8Very low75 Ų75131.1 Ų131.177%0.77378%0.777SS**  103.479.362.500000107.1A427G425-A427 PolarHBondContact O-N 2.98Å
426L27.7Very low28.5Very low181 Ų181135.3 Ų135.395%0.94880%0.8SS**  trans-68.1107.3167.4-89.2153.2000107.5E428L426-E428 PolarHBondContact O-N 3.37Å
427A25.4Very low27.7Very low102 Ų102133.8 Ų133.884%0.84380%0.803SS**  trans-73104.417300000109.5G425G425-A427 PolarHBondContact O-N 2.98Å
428E27.9Very low27.3Very low183 Ų183134.2 Ų134.286%0.85581%0.808SS**  trans-90.2124.5155.9-76.2-172.8161.400108.6L426 S430L426-E428 PolarHBondContact O-N 3.37Å; E428-S430 PolarHBondContact O-N 3.38Å
429S25.2Very low27Very low127 Ų127140 Ų14089%0.88882%0.816SS**  trans-69.3115.2172.370.80000109.6
430S26.1Very low27Very low114 Ų114144.2 Ų144.280%0.79782%0.823SS**  trans-111.3125161.945.10000109.5E428E428-S430 PolarHBondContact O-N 3.38Å
431T24.9Very low27Very low141 Ų141143.6 Ų143.687%0.86583%0.828SS**  trans-67.6144.7166.737.50000110.9
432L26.7Very low26.8Very low180 Ų180139.1 Ų139.194%0.94282%0.824SS**  trans-45.6145.5-178.3-81.1110.1000116.9
433G26Very low26.7Very low77 Ų77136.9 Ų136.979%0.79483%0.825SS**  trans-174.6109.3156.400000111.3
434D25.1Very low26.5Very low151 Ų151137 Ų13781%0.80782%0.823SS**  trans-49.2147.5176.8-80.7-44.9000115.3
435L27.7Very low26.3Very low170 Ų170132.8 Ų132.889%0.8982%0.82SS**  173.1110.3116.5-90153.5000113
436D24.3Very low26.2Very low144 Ų144135.6 Ų135.677%0.7782%0.822SS**  trans18.6129.7142.7-138.57.9000124.3
437S26.4Very low26.3Very low90 Ų90132.7 Ų132.763%0.62981%0.814SS**  trans65.8114.3134.6-750000125.5
438S25.8Very low26.2Very low104 Ų104133.2 Ų133.273%0.72781%0.812SS**  75.8120127.675.70000120.5
439Q29.6Very low26.3Very low194 Ų194130.5 Ų130.591%0.90781%0.81SS**  -173.9130.6110.9-97.5174.115.300112.4
440I27Very low26.4Very low146 Ų146130.5 Ų130.575%0.74980%0.804SS**  trans-76139.7173.1-67.5158.4000108.7T442I440-T442 HydrophobicContact CG2-CG2 4.4Å
441L26.7Very low26.7Very low178 Ų178131 Ų13193%0.93280%0.804SS**  trans-152.9138.2141.7-93.4-179.7000111.4
442T23.8Very low26.7Very low112 Ų112132.1 Ų132.169%0.68781%0.805SS**  trans-102138.7-162.337.30000113.8I440I440-T442 HydrophobicContact CG2-CG2 4.4Å
443A24.8Very low26.6Very low96 Ų96126.9 Ų126.979%0.79380%0.795SS**  trans60.6165.9136.600000120.1
444P30.8Very low26.6Very low125 Ų125133.4 Ų133.481%0.81280%0.802SS**  cis-134.11676.436.7-16.4000117.2
445A23.8Very low26.6Very low98 Ų98135.8 Ų135.881%0.8181%0.808SS**  trans-82.8152.4172.200000112.8
446V25.3Very low26.7Very low135 Ų135131.6 Ų131.682%0.81881%0.806SS**  trans-120.4131.3167.5-178.80000108.4
447P29.6Very low26.7Very low119 Ų119129.4 Ų129.477%0.77381%0.808SS**  trans-96.1149.5-176.236.2-30.4000112.4
448S23.4Very low27Very low114 Ų114132.7 Ų132.780%0.79782%0.818SS**  trans-139.7151.3168.8-61.30000110.5
449P30Very low27.2Very low125 Ų125133.5 Ų133.581%0.81282%0.824SS**PPolyproline II helixtrans-102.2154.2-138.435.8-29.9000115.1
450V26.7Very low27.6Very low127 Ų127132 Ų13277%0.7782%0.817SS**PPolyproline II helixtrans-90.5140.6171.5-1710000109.6
451P31.7Very low28.3Very low124 Ų124129.2 Ų129.281%0.80580%0.803SS**PPolyproline II helixtrans-98.6119.2154.116.90.7000110.4
452N25.8Very low29.4Very low165 Ų165125 Ų12588%0.88279%0.787SS**PPolyproline II helixtrans-71.6140.2166.5-90.3-19.6000110.9
453G24.1Very low31.2Very low71 Ų71124.9 Ų124.973%0.73278%0.778SS**  trans164.686.3157.600000116.5
454K25.8Very low34Very low214 Ų214121.7 Ų121.793%0.9375%0.747SS**  140.4124.4125.9-81-176.4174.2178.70113.9
455E26.2Very low36.8Very low201 Ų201116.1 Ų116.194%0.93971%0.71SS**  trans-68.8148.5178.1-63.2168.3144.100112.6
456G28.9Very low40.1Very low82 Ų82111.4 Ų111.485%0.84567%0.672SS**  trans120.666.6156.900000116.7
457A25.5Very low43.4Very low98 Ų98105.1 Ų105.181%0.8163%0.633SS**  trans-156.8133.8154.200000109.3
458D31.4Very low46.4Very low158 Ų15899.9 Ų99.985%0.84560%0.599SS**  trans-48.5142177.3-77.9-41.1000111.6E460D458-E460 PolarHBondContact O-N 2.9Å
459S31Very low49.8Very low122 Ų12294.5 Ų94.585%0.85356%0.562SS**  trans-57.492.9179.154.50000111.9N461S459-N461 PolarHBondContact O-N 3.33Å
460E37.7Very low53Low162 Ų16288.9 Ų88.976%0.75753%0.525SS*.  trans-68.6121.7169.4-69.1-171.2161.100108.9D458 P462D458-E460 PolarHBondContact O-N 2.9Å; E460-P462 VanDerWaalsContact O-CD 3.26Å; E460-P462 WeakPolarHBondContact O-CD 3.26Å
461N41.4Very low56.2Low87 Ų8783.4 Ų83.447%0.46549%0.491SS..  trans-91.2105.7-177.1-138.14.7000108.1S459 E463S459-N461 PolarHBondContact O-N 3.33Å; N461-E463 PolarHBondContact O-N 2.72Å
462P49.7Very low59.1Low90 Ų9079.4 Ų79.458%0.58447%0.466SS*.THydrogen-bonded Turntrans-76.115.7-167.230.9-35.6000114.9E460E460-P462 VanDerWaalsContact O-CD 3.26Å; E460-P462 WeakPolarHBondContact O-CD 3.26Å
463E62.5Low62.4Low109 Ų10973.7 Ų73.751%0.50943%0.432SS..THydrogen-bonded Turntrans-126.221.4-170.7-62.3-165.2161.500114.4L415 N461L415-E463 VanDerWaalsContact CD1-O 3.24Å; L415-E463 WeakPolarHBondContact CD1-O 3.45Å; N461-E463 PolarHBondContact O-N 2.72Å
464Q82.8Confident65.8Low30 Ų3070.4 Ų70.414%0.1440%0.398CS..  trans-80.6137.6-177.8-66-175.7-15.600113.1T468Q464-T468 HydrophobicContact CB-CG2 4.44Å; Q464-T468 HydrophobicContact CG-CG2 4.25Å
465D89.8Confident69Low7 Ų761.4 Ų61.44%0.03736%0.362CS..  trans-76.5164.9167.267.978.5000111.9L415 C467 T468 F469L415-D465 HydrophobicContact CD1-CB 4.47Å; D465-C467 VanDerWaalsContact C-N 3.34Å; D465-C467 PolarHBondContact O-N 3.02Å; D465-C467 WeakPolarHBondContact OD1-CA 3.49Å; D465-C467 VanDerWaalsContact OD1-CB 3.26Å; D465-C467 WeakPolarHBondContact OD1-CB 3.21Å; D465-C467 PolarHBondContact OD1-N 2.79Å; D465-T468 VanDerWaalsContact CG-OG1 3.24Å; D465-T468 PolarHBondContact O-N 3.17Å; D465-T468 PolarHBondContact OD1-N 3.34Å; D465-T468 PolarHBondContact OD1-OG1 3.23Å; D465-T468 WeakPolarHBondContact OD2-CB 3.41Å; D465-T468 PolarHBondContact OD2-OG1 3.05Å; D465-F469 PolarHBondContact O-N 3.08Å
466L93.9Very high72.2Confident0 Ų059.8 Ų59.80%035%0.351CS..Hα-helixtrans-59.7-40.2-177-179.961.8000113L367 V381 L384 L399 A402 L403 E406 F469 L470L367-L466 HydrophobicContact CD1-CD1 4.23Å; L367-L466 HydrophobicContact CD1-CD2 4.28Å; L367-L466 HydrophobicContact CD2-CD2 4.45Å; V381-L466 HydrophobicContact CG2-CB 4.01Å; V381-L466 HydrophobicContact CG2-CD1 4.27Å; L384-L466 HydrophobicContact CD1-CD1 4.32Å; L399-L466 HydrophobicContact CD2-CD1 4.31Å; A402-L466 HydrophobicContact CB-CD2 3.9Å; L403-L466 HydrophobicContact CD2-CB 4.22Å; L403-L466 HydrophobicContact CD2-CD2 3.99Å; L403-L466 HydrophobicContact CD2-CG 3.92Å; L403-L466 HydrophobicContact CG-CD2 4.48Å; E406-L466 HydrophobicContact CG-CB 4.24Å; E406-L466 WeakPolarHBondContact OE1-CB 3.44Å; L466-F469 HydrophobicContact CD1-CD1 4.27Å; L466-F469 PolarHBondContact O-N 2.94Å; L466-L470 HydrophobicContact CD1-CD1 4.26Å; L466-L470 HydrophobicContact CD1-CG 4.15Å; L466-L470 HydrophobicContact CG-CD1 4.16Å; L466-L470 HydrophobicContact CG-CG 4.45Å; L466-L470 VanDerWaalsContact O-CG 3.29Å; L466-L470 WeakPolarHBondContact O-CG 3.44Å; L466-L470 PolarHBondContact O-N 3.31Å
467C94.6Very high75.3Confident2 Ų257.4 Ų57.41%0.01432%0.319CS..Hα-helixtrans-64.3-47.1179.5177.90000110.8L403 I411 D465 F469 L470 I471L403-C467 HydrophobicContact CD2-CB 3.86Å; I411-C467 HydrophobicContact CG1-CB 4.21Å; I411-C467 HydrophobicContact CG2-CB 4.46Å; D465-C467 VanDerWaalsContact C-N 3.34Å; D465-C467 PolarHBondContact O-N 3.02Å; D465-C467 WeakPolarHBondContact OD1-CA 3.49Å; D465-C467 VanDerWaalsContact OD1-CB 3.26Å; D465-C467 WeakPolarHBondContact OD1-CB 3.21Å; D465-C467 PolarHBondContact OD1-N 2.79Å; C467-F469 VanDerWaalsContact C-N 3.33Å; C467-F469 PolarHBondContact O-N 3.33Å; C467-L470 PolarHBondContact O-N 3.3Å; C467-I471 WeakPolarHBondContact O-CB 3.31Å; C467-I471 WeakPolarHBondContact O-CG1 3.47Å; C467-I471 PolarHBondContact O-N 3.49Å
468T92.7Very high78.5Confident9 Ų956.1 Ų56.16%0.05531%0.305CS..Hα-helixtrans-61.3-41.7177.2-59.40000111.3Q464 D465 S472 R514Q464-T468 HydrophobicContact CB-CG2 4.44Å; Q464-T468 HydrophobicContact CG-CG2 4.25Å; D465-T468 VanDerWaalsContact CG-OG1 3.24Å; D465-T468 PolarHBondContact O-N 3.17Å; D465-T468 PolarHBondContact OD1-N 3.34Å; D465-T468 PolarHBondContact OD1-OG1 3.23Å; D465-T468 WeakPolarHBondContact OD2-CB 3.41Å; D465-T468 PolarHBondContact OD2-OG1 3.05Å; T468-S472 WeakPolarHBondContact O-CB 3.28Å; T468-S472 PolarHBondContact O-N 3.04Å; T468-R514 PolarHBondContact OG1-NH2 3.49Å
469F94.4Very high81.6Confident2 Ų250.5 Ų50.51%0.00928%0.276CS..Hα-helixtrans-60.6-52.4174.9167.7-107.2000112.4V381 L384 Q385 L392 D465 L466 C467 I471 S472 R473V381-F469 HydrophobicContact CG1-CB 3.6Å; V381-F469 HydrophobicContact CG1-CD1 4.37Å; V381-F469 HydrophobicContact CG1-CD2 4.23Å; V381-F469 HydrophobicContact CG1-CG 3.82Å; L384-F469 HydrophobicContact CB-CE1 3.95Å; L384-F469 HydrophobicContact CB-CZ 3.99Å; L384-F469 HydrophobicContact CD1-CE1 4.46Å; Q385-F469 HydrophobicContact CB-CE2 4.27Å; Q385-F469 HydrophobicContact CG-CD2 3.72Å; Q385-F469 HydrophobicContact CG-CE2 3.56Å; L392-F469 HydrophobicContact CD1-CE1 4.05Å; L392-F469 HydrophobicContact CD1-CZ 4.36Å; L392-F469 HydrophobicContact CD2-CE1 4.41Å; L392-F469 HydrophobicContact CD2-CZ 4.28Å; D465-F469 PolarHBondContact O-N 3.08Å; L466-F469 HydrophobicContact CD1-CD1 4.27Å; L466-F469 PolarHBondContact O-N 2.94Å; C467-F469 VanDerWaalsContact C-N 3.33Å; C467-F469 PolarHBondContact O-N 3.33Å; F469-I471 PolarHBondContact O-N 3.02Å; F469-S472 PolarHBondContact O-N 3.24Å; F469-R473 HydrophobicContact CD2-CG 3.86Å; F469-R473 HydrophobicContact CE1-CG 4.45Å; F469-R473 HydrophobicContact CE2-CG 3.43Å; F469-R473 VanDerWaalsContact CE2-CG 3.43Å; F469-R473 HydrophobicContact CZ-CG 3.78Å; F469-R473 WeakPolarHBondContact O-CG 3.49Å; F469-R473 PolarHBondContact O-N 2.86Å
470L95.8Very high84.7Confident7 Ų744.9 Ų44.94%0.03724%0.236CC..Hα-helixtrans-59.7-44.9-179.3-69.7175.8000111.7L396 L399 L403 L466 C467 A474 L484L396-L470 HydrophobicContact CD1-CD2 3.96Å; L399-L470 HydrophobicContact CB-CD1 4.27Å; L399-L470 HydrophobicContact CB-CD2 4.17Å; L399-L470 HydrophobicContact CD1-CD2 4.08Å; L403-L470 HydrophobicContact CD1-CD1 4.31Å; L403-L470 HydrophobicContact CD2-CD1 4.36Å; L403-L470 HydrophobicContact CG-CD1 4.44Å; L466-L470 HydrophobicContact CD1-CD1 4.26Å; L466-L470 HydrophobicContact CD1-CG 4.15Å; L466-L470 HydrophobicContact CG-CD1 4.16Å; L466-L470 HydrophobicContact CG-CG 4.45Å; L466-L470 VanDerWaalsContact O-CG 3.29Å; L466-L470 WeakPolarHBondContact O-CG 3.44Å; L466-L470 PolarHBondContact O-N 3.31Å; C467-L470 PolarHBondContact O-N 3.3Å; L470-A474 WeakPolarHBondContact O-CB 3.25Å; L470-A474 PolarHBondContact O-N 3.4Å; L470-L484 HydrophobicContact CB-CD2 4.48Å
471I94.7Very high87.5Confident12 Ų1237.2 Ų37.26%0.06220%0.2CC..Hα-helixtrans-62.5-45.4176.9-71.6171.8000110.9C467 F469 A474 C475 R514 F515 A518C467-I471 WeakPolarHBondContact O-CB 3.31Å; C467-I471 WeakPolarHBondContact O-CG1 3.47Å; C467-I471 PolarHBondContact O-N 3.49Å; F469-I471 PolarHBondContact O-N 3.02Å; I471-A474 PolarHBondContact O-N 2.89Å; I471-C475 PolarHBondContact O-N 2.96Å; I471-C475 PolarHBondContact O-SG 3.34Å; I471-R514 HydrophobicContact CD1-CB 3.77Å; I471-F515 HydrophobicContact CB-CD2 4.5Å; I471-F515 HydrophobicContact CD1-CB 4.22Å; I471-F515 HydrophobicContact CG1-CB 4.11Å; I471-F515 HydrophobicContact CG1-CD2 4.18Å; I471-F515 HydrophobicContact CG2-CD2 4.17Å; I471-A518 HydrophobicContact CG2-CB 3.55Å
472S93.1Very high90.1Very high39 Ų3933.2 Ų33.227%0.27318%0.179SC..Hα-helixtrans-61.4-46.5179.8179.50000112T468 F469 C475T468-S472 WeakPolarHBondContact O-CB 3.28Å; T468-S472 PolarHBondContact O-N 3.04Å; F469-S472 PolarHBondContact O-N 3.24Å; S472-C475 PolarHBondContact O-N 3.46Å
473R94.4Very high92.4Very high46 Ų4630.4 Ų30.417%0.17416%0.157CC..Hα-helixtrans-66.4-42.4177.3-63.7-67.5-95117-1.4111.4A387 D389 L392 F469 C475 K476 N477A387-R473 PolarHBondContact O-NH2 2.91Å; D389-R473 IonicContact OD1-CZ 2.64Å; D389-R473 IonicContact OD1-NH1 3.34Å; D389-R473 PolarHBondContact OD1-NH1 3.45Å; D389-R473 IonicContact OD1-NH2 3.66Å; D389-R473 PolarHBondContact OD1-NH2 2.7Å; D389-R473 IonicContact OD2-NH1 2.88Å; L392-R473 HydrophobicContact CD2-CB 4.17Å; L392-R473 HydrophobicContact CD2-CG 4.28Å; F469-R473 HydrophobicContact CD2-CG 3.86Å; F469-R473 HydrophobicContact CE1-CG 4.45Å; F469-R473 HydrophobicContact CE2-CG 3.43Å; F469-R473 VanDerWaalsContact CE2-CG 3.43Å; F469-R473 HydrophobicContact CZ-CG 3.78Å; F469-R473 WeakPolarHBondContact O-CG 3.49Å; F469-R473 PolarHBondContact O-N 2.86Å; R473-C475 VanDerWaalsContact C-N 3.34Å; R473-C475 PolarHBondContact O-N 3.33Å; R473-K476 PolarHBondContact O-N 2.87Å; R473-K476 VanDerWaalsContact O-N 3.09Å; R473-N477 PolarHBondContact O-N 2.96Å
474A94.8Very high94.1Very high2 Ų225.4 Ų25.42%0.01713%0.134CC..Hα-helixtrans-61.2-39176.300000112.8L470 I471 K476 N477 A481 L484 F515L470-A474 WeakPolarHBondContact O-CB 3.25Å; L470-A474 PolarHBondContact O-N 3.4Å; I471-A474 PolarHBondContact O-N 2.89Å; A474-K476 PolarHBondContact O-N 2.91Å; A474-K476 VanDerWaalsContact O-N 3.15Å; A474-N477 CarbonylContact O-C 3.1Å; A474-N477 PolarHBondContact O-N 3.26Å; A474-A481 HydrophobicContact CB-CB 4.27Å; A474-A481 WeakPolarHBondContact O-CB 3.43Å; A474-L484 HydrophobicContact CB-CD2 3.54Å; A474-F515 HydrophobicContact CB-CE2 3.77Å; A474-F515 HydrophobicContact CB-CZ 4.13Å
475C93.8Very high94.8Very high25 Ų2525.5 Ų25.517%0.16913%0.133CC..Hα-helixtrans-62.3-23176.5-68.50000113.1I471 S472 R473 V526I471-C475 PolarHBondContact O-N 2.96Å; I471-C475 PolarHBondContact O-SG 3.34Å; S472-C475 PolarHBondContact O-N 3.46Å; R473-C475 VanDerWaalsContact C-N 3.34Å; R473-C475 PolarHBondContact O-N 3.33Å; C475-V526 HydrophobicContact CB-CG1 4.43Å; C475-V526 WeakPolarHBondContact O-CG2 3.43Å
476K92.7Very high95.1Very high167 Ų16725.2 Ų25.273%0.72613%0.131SC*.Hα-helixtrans-91.9-17.8179.1-63179.7-177.3-175.90113.6R473 A474R473-K476 PolarHBondContact O-N 2.87Å; R473-K476 VanDerWaalsContact O-N 3.09Å; A474-K476 PolarHBondContact O-N 2.91Å; A474-K476 VanDerWaalsContact O-N 3.15Å
477N94.7Very high95.2Very high31 Ų3126.3 Ų26.317%0.16614%0.136CC..  trans-135.3115.9-175.2-179.8-37.9000111D389 R473 A474 T479 L480 A481D389-N477 PolarHBondContact OD2-ND2 2.7Å; R473-N477 PolarHBondContact O-N 2.96Å; A474-N477 CarbonylContact O-C 3.1Å; A474-N477 PolarHBondContact O-N 3.26Å; N477-T479 VanDerWaalsContact C-N 3.29Å; N477-T479 PolarHBondContact O-N 3.5Å; N477-T479 WeakPolarHBondContact OD1-CA 3.48Å; N477-T479 VanDerWaalsContact OD1-CB 3.31Å; N477-T479 WeakPolarHBondContact OD1-CB 3.46Å; N477-T479 PolarHBondContact OD1-N 3.06Å; N477-L480 HydrophobicContact CB-CB 4.08Å; N477-L480 HydrophobicContact CB-CD1 3.88Å; N477-L480 HydrophobicContact CB-CG 4.26Å; N477-L480 PolarHBondContact O-N 3.16Å; N477-L480 PolarHBondContact OD1-N 3.49Å; N477-L480 VanDerWaalsContact OD1-N 3.12Å; N477-A481 PolarHBondContact O-N 3.33Å
478S93.6Very high95.3Very high72 Ų7226.3 Ų26.350%0.50314%0.136SC..Hα-helixtrans-62.1-32.2-177.454.40000114.3N482S478-N482 WeakPolarHBondContact O-CB 3.48Å; S478-N482 PolarHBondContact O-N 3.03Å
479T95.8Very high95.3Very high40 Ų4027 Ų2725%0.24514%0.139CC..Hα-helixtrans-71-46178.7-56.30000110.2L393 N477 A481 N482 Y483 P588L393-T479 HydrophobicContact CD1-CG2 3.97Å; L393-T479 HydrophobicContact CD2-CG2 4.23Å; N477-T479 VanDerWaalsContact C-N 3.29Å; N477-T479 PolarHBondContact O-N 3.5Å; N477-T479 WeakPolarHBondContact OD1-CA 3.48Å; N477-T479 VanDerWaalsContact OD1-CB 3.31Å; N477-T479 WeakPolarHBondContact OD1-CB 3.46Å; N477-T479 PolarHBondContact OD1-N 3.06Å; T479-A481 VanDerWaalsContact C-N 3.33Å; T479-A481 PolarHBondContact O-N 3.18Å; T479-N482 PolarHBondContact O-N 2.98Å; T479-Y483 HydrophobicContact CG2-CD2 3.93Å; T479-Y483 HydrophobicContact CG2-CE2 3.59Å; T479-Y483 WeakPolarHBondContact O-CD2 3.39Å; T479-Y483 PolarHBondContact O-N 3.35Å; T479-Y483 VanDerWaalsContact O-N 3.17Å; T479-P588 HydrophobicContact CG2-CG 4.29Å
480L96.1Very high95.2Very high4 Ų427.1 Ų27.12%0.02114%0.14CC..Hα-helixtrans-60.1-43.5173.2-79.1169.9000111.3D389 L392 L393 L396 N477 N482 Y483 L484D389-L480 HydrophobicContact CB-CD1 4.05Å; L392-L480 HydrophobicContact CB-CD2 4.5Å; L392-L480 HydrophobicContact CD2-CD1 4Å; L392-L480 HydrophobicContact CD2-CD2 4.13Å; L392-L480 HydrophobicContact CG-CD2 4.2Å; L393-L480 HydrophobicContact CD2-CD2 3.54Å; L393-L480 HydrophobicContact CD2-CG 4.08Å; L393-L480 HydrophobicContact CG-CD2 3.62Å; L393-L480 HydrophobicContact CG-CG 4.14Å; L396-L480 HydrophobicContact CD2-CD2 4.15Å; N477-L480 HydrophobicContact CB-CB 4.08Å; N477-L480 HydrophobicContact CB-CD1 3.88Å; N477-L480 HydrophobicContact CB-CG 4.26Å; N477-L480 PolarHBondContact O-N 3.16Å; N477-L480 PolarHBondContact OD1-N 3.49Å; N477-L480 VanDerWaalsContact OD1-N 3.12Å; L480-N482 PolarHBondContact O-N 2.91Å; L480-Y483 PolarHBondContact O-N 3.38Å; L480-L484 WeakPolarHBondContact O-CB 3.39Å; L480-L484 PolarHBondContact O-N 3.04Å
481A96Very high94.9Very high0 Ų027.6 Ų27.60%014%0.142CC..Hα-helixtrans-59.8-42.8176.200000113.5A474 N477 T479 Y485 F515 M529A474-A481 HydrophobicContact CB-CB 4.27Å; A474-A481 WeakPolarHBondContact O-CB 3.43Å; N477-A481 PolarHBondContact O-N 3.33Å; T479-A481 VanDerWaalsContact C-N 3.33Å; T479-A481 PolarHBondContact O-N 3.18Å; A481-Y485 VanDerWaalsContact O-CB 3.27Å; A481-Y485 WeakPolarHBondContact O-CB 3.09Å; A481-Y485 PolarHBondContact O-N 3.5Å; A481-F515 HydrophobicContact CB-CZ 3.93Å; A481-M529 HydrophobicContact CB-CG 4.29Å; A481-M529 HydrophobicContact CB-SD 3.24Å; A481-M529 WeakPolarHBondContact CB-SD 3.42Å
482N97.1Very high94.6Very high4 Ų427.7 Ų27.72%0.02114%0.143CC..Hα-helixtrans-59.9-52.5176.9176.197.4000111.2S478 T479 L480 Y485 W486 L533 Q536 P585 P588S478-N482 WeakPolarHBondContact O-CB 3.48Å; S478-N482 PolarHBondContact O-N 3.03Å; T479-N482 PolarHBondContact O-N 2.98Å; L480-N482 PolarHBondContact O-N 2.91Å; N482-Y485 PolarHBondContact O-N 3.34Å; N482-W486 PolarHBondContact O-N 2.89Å; N482-W486 VanDerWaalsContact O-N 3.15Å; N482-L533 HydrophobicContact CB-CD2 4.49Å; N482-Q536 PolarHBondContact OD1-NE2 3.41Å; N482-Q536 PolarHBondContact OD1-OE1 3.21Å; N482-Q536 VanDerWaalsContact OD1-OE1 3.12Å; N482-P585 PolarHBondContact ND2-O 2.91Å; N482-P588 HydrophobicContact CB-CB 4.22Å; N482-P588 HydrophobicContact CB-CG 3.59Å; N482-P588 VanDerWaalsContact ND2-CG 3.31Å; N482-P588 WeakPolarHBondContact ND2-CG 3.18Å
483Y97.4Very high94.2Very high31 Ų3128.9 Ų28.912%0.12215%0.145CC..Hα-helixtrans-69.3-39.2-178-67.4-61.2000112.4L393 T479 L480 Y485 W486 Y487 L586 P588 L664L393-Y483 HydrophobicContact CD2-CD2 3.51Å; L393-Y483 HydrophobicContact CD2-CE2 4.13Å; L393-Y483 HydrophobicContact CD2-CG 4.44Å; T479-Y483 HydrophobicContact CG2-CD2 3.93Å; T479-Y483 HydrophobicContact CG2-CE2 3.59Å; T479-Y483 WeakPolarHBondContact O-CD2 3.39Å; T479-Y483 PolarHBondContact O-N 3.35Å; T479-Y483 VanDerWaalsContact O-N 3.17Å; L480-Y483 PolarHBondContact O-N 3.38Å; Y483-Y485 VanDerWaalsContact C-N 3.32Å; Y483-Y485 PolarHBondContact O-N 2.66Å; Y483-W486 PolarHBondContact O-N 3.38Å; Y483-Y487 HydrophobicContact CD1-CE1 4.44Å; Y483-Y487 WeakPolarHBondContact O-CB 3.44Å; Y483-Y487 WeakPolarHBondContact O-CD1 3.34Å; Y483-Y487 WeakPolarHBondContact O-CD2 3.32Å; Y483-Y487 PolarHBondContact O-N 2.54Å; Y483-L586 PolarHBondContact OH-O 3.34Å; Y483-P588 HydrophobicContact CE2-CG 4.27Å; Y483-P588 WeakPolarHBondContact OH-CD 3.11Å; Y483-L664 HydrophobicContact CD1-CD1 4.16Å; Y483-L664 HydrophobicContact CE1-CD1 4.46Å
484L97.6Very high93.1Very high4 Ų428.1 Ų28.12%0.02114%0.144CC..Hα-helixtrans-58.5-45174.4179.964.7000111.1L396 V400 L470 A474 L480 V488 F515L396-L484 HydrophobicContact CD1-CD1 4.35Å; L396-L484 HydrophobicContact CD2-CB 4.44Å; V400-L484 HydrophobicContact CG2-CD1 3.7Å; L470-L484 HydrophobicContact CB-CD2 4.48Å; A474-L484 HydrophobicContact CB-CD2 3.54Å; L480-L484 WeakPolarHBondContact O-CB 3.39Å; L480-L484 PolarHBondContact O-N 3.04Å; L484-V488 HydrophobicContact CD1-CG2 3.94Å; L484-V488 HydrophobicContact CG-CG2 4.46Å; L484-V488 WeakPolarHBondContact O-CB 3.18Å; L484-V488 VanDerWaalsContact O-CG2 3.26Å; L484-V488 WeakPolarHBondContact O-CG2 3.27Å; L484-V488 PolarHBondContact O-N 3.38Å; L484-F515 HydrophobicContact CD2-CD2 4.32Å; L484-F515 HydrophobicContact CD2-CE1 4.5Å; L484-F515 HydrophobicContact CD2-CE2 4.2Å; L484-F515 HydrophobicContact CD2-CZ 4.29Å
485Y97.2Very high91.5Very high32 Ų3235.1 Ų35.113%0.12518%0.176CC..Hα-helixtrans-56.3-54.7176.7178.1-93.5000111.3A481 N482 Y483 Y487 V488 I489 I512 L533 Q537A481-Y485 VanDerWaalsContact O-CB 3.27Å; A481-Y485 WeakPolarHBondContact O-CB 3.09Å; A481-Y485 PolarHBondContact O-N 3.5Å; N482-Y485 PolarHBondContact O-N 3.34Å; Y483-Y485 VanDerWaalsContact C-N 3.32Å; Y483-Y485 PolarHBondContact O-N 2.66Å; Y485-Y487 PolarHBondContact O-N 2.9Å; Y485-V488 PolarHBondContact O-N 3.26Å; Y485-I489 HydrophobicContact CD1-CG1 4.23Å; Y485-I489 HydrophobicContact CD2-CG1 4.37Å; Y485-I489 HydrophobicContact CE1-CG1 3.83Å; Y485-I489 HydrophobicContact CE2-CD1 4.29Å; Y485-I489 HydrophobicContact CE2-CG1 4.01Å; Y485-I489 HydrophobicContact CG-CG1 4.47Å; Y485-I489 WeakPolarHBondContact O-CB 3.13Å; Y485-I489 VanDerWaalsContact O-CG1 3.28Å; Y485-I489 WeakPolarHBondContact O-CG1 3.28Å; Y485-I489 PolarHBondContact O-N 2.88Å; Y485-I512 HydrophobicContact CD2-CD1 3.93Å; Y485-I512 HydrophobicContact CE2-CD1 4.2Å; Y485-L533 HydrophobicContact CD1-CD2 4.39Å; Y485-L533 HydrophobicContact CD2-CB 4.4Å; Y485-L533 HydrophobicContact CD2-CD1 4.18Å; Y485-L533 HydrophobicContact CG-CD1 4.3Å; Y485-L533 HydrophobicContact CG-CD2 4.14Å; Y485-Q537 PolarHBondContact OH-OE1 2.84Å
486W97.1Very high89.5Confident0 Ų039.1 Ų39.10%020%0.196CC..Hα-helixtrans-66.6-39-176.3-72.5113.2000112.7N482 Y483 I489 V490 Q536 V540 P585 L664 T666N482-W486 PolarHBondContact O-N 2.89Å; N482-W486 VanDerWaalsContact O-N 3.15Å; Y483-W486 PolarHBondContact O-N 3.38Å; W486-I489 PolarHBondContact O-N 2.92Å; W486-V490 VanDerWaalsContact O-CG2 3.23Å; W486-V490 WeakPolarHBondContact O-CG2 3.38Å; W486-V490 PolarHBondContact O-N 3.36Å; W486-V490 VanDerWaalsContact O-N 3.13Å; W486-Q536 HydrophobicContact CZ2-CB 4.11Å; W486-V540 HydrophobicContact CH2-CB 3.97Å; W486-V540 HydrophobicContact CH2-CG1 4.35Å; W486-V540 HydrophobicContact CH2-CG2 3.61Å; W486-V540 HydrophobicContact CZ2-CG2 3.96Å; W486-P585 HydrophobicContact CZ2-CB 4.13Å; W486-P585 HydrophobicContact CZ2-CG 4Å; W486-L664 HydrophobicContact CB-CD1 3.99Å; W486-L664 HydrophobicContact CB-CD2 4.32Å; W486-L664 HydrophobicContact CG-CD2 4.01Å; W486-T666 HydrophobicContact CD2-CG2 4Å; W486-T666 HydrophobicContact CE3-CG2 3.68Å; W486-T666 HydrophobicContact CH2-CG2 4.24Å; W486-T666 HydrophobicContact CZ3-CG2 3.82Å
487Y96.4Very high87.4Confident23 Ų2334.9 Ų34.99%0.0918%0.184CC..Hα-helixtrans-65.2-41.8177.4-63.1-12.1000111.9L396 L397 V400 Y483 Y485 E491 L664L396-Y487 HydrophobicContact CB-CE2 4.14Å; L396-Y487 HydrophobicContact CD2-CD2 4.17Å; L396-Y487 HydrophobicContact CD2-CE2 4.03Å; L396-Y487 HydrophobicContact CG-CD2 3.97Å; L396-Y487 HydrophobicContact CG-CE2 4Å; L397-Y487 HydrophobicContact CB-CD2 4.21Å; L397-Y487 HydrophobicContact CB-CE2 3.94Å; L397-Y487 HydrophobicContact CD1-CD1 4.19Å; L397-Y487 HydrophobicContact CD1-CD2 4.1Å; L397-Y487 HydrophobicContact CD1-CE1 4.48Å; L397-Y487 HydrophobicContact CD1-CE2 4.38Å; L397-Y487 HydrophobicContact CD1-CG 4Å; V400-Y487 HydrophobicContact CG2-CD2 4.49Å; Y483-Y487 HydrophobicContact CD1-CE1 4.44Å; Y483-Y487 WeakPolarHBondContact O-CB 3.44Å; Y483-Y487 WeakPolarHBondContact O-CD1 3.34Å; Y483-Y487 WeakPolarHBondContact O-CD2 3.32Å; Y483-Y487 PolarHBondContact O-N 2.54Å; Y485-Y487 PolarHBondContact O-N 2.9Å; Y487-E491 WeakPolarHBondContact O-CG 3.33Å; Y487-E491 PolarHBondContact O-N 3.28Å; Y487-L664 HydrophobicContact CD1-CD1 4.29Å; Y487-L664 HydrophobicContact CE1-CD1 3.75Å
488V95.3Very high85Confident2 Ų243.1 Ų43.11%0.01222%0.222CC..Hα-helixtrans-71.8-38.2178.5176.10000111.7V400 L484 Y485 V490 E491 C492 Y508 V511 I512V400-V488 HydrophobicContact CG1-CG2 4.01Å; V400-V488 HydrophobicContact CG2-CG2 4.35Å; L484-V488 HydrophobicContact CD1-CG2 3.94Å; L484-V488 HydrophobicContact CG-CG2 4.46Å; L484-V488 WeakPolarHBondContact O-CB 3.18Å; L484-V488 VanDerWaalsContact O-CG2 3.26Å; L484-V488 WeakPolarHBondContact O-CG2 3.27Å; L484-V488 PolarHBondContact O-N 3.38Å; Y485-V488 PolarHBondContact O-N 3.26Å; V488-V490 PolarHBondContact O-N 3.1Å; V488-E491 PolarHBondContact O-N 3.22Å; V488-C492 PolarHBondContact O-N 3.42Å; V488-C492 PolarHBondContact O-SG 3.14Å; V488-Y508 HydrophobicContact CG1-CD1 4.32Å; V488-V511 HydrophobicContact CG1-CG1 4.29Å; V488-V511 HydrophobicContact CG2-CG1 4.25Å; V488-I512 HydrophobicContact CG1-CB 3.91Å; V488-I512 HydrophobicContact CG1-CD1 4.25Å
489I93.2Very high83Confident24 Ų2448.3 Ų48.312%0.12324%0.238CC..Hα-helixtrans-61.8-43.1177.9-76.5-71.3000111.5Y485 W486 E491 C492 E493 I512Y485-I489 HydrophobicContact CD1-CG1 4.23Å; Y485-I489 HydrophobicContact CD2-CG1 4.37Å; Y485-I489 HydrophobicContact CE1-CG1 3.83Å; Y485-I489 HydrophobicContact CE2-CD1 4.29Å; Y485-I489 HydrophobicContact CE2-CG1 4.01Å; Y485-I489 HydrophobicContact CG-CG1 4.47Å; Y485-I489 WeakPolarHBondContact O-CB 3.13Å; Y485-I489 VanDerWaalsContact O-CG1 3.28Å; Y485-I489 WeakPolarHBondContact O-CG1 3.28Å; Y485-I489 PolarHBondContact O-N 2.88Å; W486-I489 PolarHBondContact O-N 2.92Å; I489-E491 VanDerWaalsContact C-N 3.29Å; I489-E491 PolarHBondContact O-N 3.05Å; I489-C492 WeakPolarHBondContact O-CA 3.33Å; I489-C492 WeakPolarHBondContact O-CB 3.45Å; I489-C492 PolarHBondContact O-N 3.19Å; I489-E493 PolarHBondContact O-N 2.95Å; I489-I512 HydrophobicContact CD1-CD1 4.35Å; I489-I512 HydrophobicContact CD1-CG1 4.21Å; I489-I512 HydrophobicContact CG1-CD1 4.35Å
490V92.6Very high81.1Confident5 Ų556.5 Ų56.53%0.0326%0.264CS..Hα-helixtrans-59-42177.5172.30000111.2W486 V488 C492 E493 D494 R633 A665 T668W486-V490 VanDerWaalsContact O-CG2 3.23Å; W486-V490 WeakPolarHBondContact O-CG2 3.38Å; W486-V490 PolarHBondContact O-N 3.36Å; W486-V490 VanDerWaalsContact O-N 3.13Å; V488-V490 PolarHBondContact O-N 3.1Å; V490-C492 VanDerWaalsContact C-N 3.31Å; V490-C492 PolarHBondContact O-N 3.16Å; V490-E493 PolarHBondContact O-N 2.83Å; V490-D494 PolarHBondContact O-N 3.15Å; V490-D494 VanDerWaalsContact O-N 3.08Å; V490-R633 HydrophobicContact CG1-CG 4.14Å; V490-A665 HydrophobicContact CG2-CB 4.45Å; V490-T668 HydrophobicContact CG1-CG2 4.47Å
491E90.7Very high79.9Confident17 Ų1760.3 Ų60.38%0.07929%0.285CS..Hα-helixtrans-70.5-24.9176.2-62.3-63.9139.600113.1Q401 K404 Y487 V488 I489 Y508Q401-E491 PolarHBondContact NE2-OE1 3.22Å; K404-E491 IonicContact NZ-OE2 2.95Å; K404-E491 PolarHBondContact NZ-OE2 3.25Å; Y487-E491 WeakPolarHBondContact O-CG 3.33Å; Y487-E491 PolarHBondContact O-N 3.28Å; V488-E491 PolarHBondContact O-N 3.22Å; I489-E491 VanDerWaalsContact C-N 3.29Å; I489-E491 PolarHBondContact O-N 3.05Å; E491-Y508 HydrophobicContact CB-CD1 4.14Å; E491-Y508 HydrophobicContact CB-CD2 3.8Å; E491-Y508 HydrophobicContact CB-CE1 4.2Å; E491-Y508 HydrophobicContact CB-CE2 3.84Å; E491-Y508 HydrophobicContact CB-CG 3.95Å; E491-Y508 HydrophobicContact CG-CE1 4.31Å; E491-Y508 HydrophobicContact CG-CE2 4.22Å
492C88.3Confident79.3Confident14 Ų1464.9 Ų64.910%0.09531%0.309CS..Hα-helixtrans-72.3-32.4171.6-64.80000112V488 I489 V490 H505 L509V488-C492 PolarHBondContact O-N 3.42Å; V488-C492 PolarHBondContact O-SG 3.14Å; I489-C492 WeakPolarHBondContact O-CA 3.33Å; I489-C492 WeakPolarHBondContact O-CB 3.45Å; I489-C492 PolarHBondContact O-N 3.19Å; V490-C492 VanDerWaalsContact C-N 3.31Å; V490-C492 PolarHBondContact O-N 3.16Å; C492-H505 PolarHBondContact O-CE1 2.89Å; C492-H505 PolarHBondContact O-ND1 2.99Å; C492-L509 HydrophobicContact CB-CD2 4.15Å
493E82.8Confident78.7Confident64 Ų6471.8 Ų71.830%0.29934%0.339SS..Hα-helixtrans-88.1-13-179.4-71.1-171.3179.900114.5I489 V490 Q495 S667I489-E493 PolarHBondContact O-N 2.95Å; V490-E493 PolarHBondContact O-N 2.83Å; E493-Q495 WeakPolarHBondContact O-CB 3.4Å; E493-Q495 VanDerWaalsContact O-CG 3.25Å; E493-Q495 WeakPolarHBondContact O-CG 3.41Å; E493-Q495 PolarHBondContact O-N 3.18Å; E493-S667 WeakPolarHBondContact OE2-CB 3.37Å; E493-S667 PolarHBondContact OE2-OG 3.47Å
494D71.3Confident78.2Confident30 Ų3071.4 Ų71.416%0.1634%0.34CS..  trans-66.693-179.1-164.33.1000111.4V490 R633 T668 N818V490-D494 PolarHBondContact O-N 3.15Å; V490-D494 VanDerWaalsContact O-N 3.08Å; D494-R633 IonicContact OD1-NH2 3.47Å; D494-R633 IonicContact OD2-CZ 3.08Å; D494-R633 IonicContact OD2-NH1 3.03Å; D494-R633 PolarHBondContact OD2-NH1 3.4Å; D494-R633 IonicContact OD2-NH2 2.75Å; D494-T668 HydrophobicContact CB-CG2 3.96Å; D494-N818 VanDerWaalsContact CG-ND2 3.33Å; D494-N818 PolarHBondContact OD1-ND2 3.33Å; D494-N818 VanDerWaalsContact OD2-CB 3.26Å; D494-N818 WeakPolarHBondContact OD2-CB 3.48Å; D494-N818 PolarHBondContact OD2-ND2 2.85Å
495Q61.3Low77.7Confident148 Ų14874.2 Ų74.269%0.69235%0.352SS*.  trans-117.9-3.3-167.7-73.4173.127.400113.6E493E493-Q495 WeakPolarHBondContact O-CB 3.4Å; E493-Q495 VanDerWaalsContact O-CG 3.25Å; E493-Q495 WeakPolarHBondContact O-CG 3.41Å; E493-Q495 PolarHBondContact O-N 3.18Å
496D52.1Low77.3Confident110 Ų11079.4 Ų79.459%0.58838%0.376SS*.  trans-957.2-161.1-83.6-21.7000115.6K669D496-K669 IonicContact OD1-NZ 2.77Å; D496-K669 WeakPolarHBondContact OD2-CE 3.28Å; D496-K669 IonicContact OD2-NZ 3.39Å; D496-K669 PolarHBondContact OD2-NZ 3.46Å
497T49.1Very low77.1Confident78 Ų7879.7 Ų79.748%0.47938%0.377SS..SBendtrans-109.5140.5176.547.80000114.8Q499T497-Q499 PolarHBondContact O-N 3.45Å
498Q44.7Very low76.9Confident204 Ų20478.7 Ų78.795%0.95337%0.373SS*.SBendtrans-69.45.1-170.6-68-174.4-13.900115.7
499Q50Low76.8Confident180 Ų18082.5 Ų82.584%0.84139%0.393SS*.SBendtrans-127.989.6174.8-77.1-178.6-7.400109.6T497 D501T497-Q499 PolarHBondContact O-N 3.45Å; Q499-D501 PolarHBondContact O-N 3.47Å; Q499-D501 VanDerWaalsContact O-N 3.09Å
500R56.7Low76.7Confident212 Ų21283.5 Ų83.580%0.840%0.399SS*.  trans-61.5107.6173.6-83.3178.2170168.4-2.6110.8L502R500-L502 VanDerWaalsContact C-N 3.28Å; R500-L502 HydrophobicContact CB-CD1 4.4Å; R500-L502 HydrophobicContact CB-CG 4.12Å; R500-L502 PolarHBondContact O-N 3.23Å
501D72.1Confident76.8Confident85 Ų8583.5 Ų83.546%0.45540%0.398SS..  trans-81.884.2150-173.413.1000109.8Q499 K503 T504 H505Q499-D501 PolarHBondContact O-N 3.47Å; Q499-D501 VanDerWaalsContact O-N 3.09Å; D501-K503 PolarHBondContact O-N 3.36Å; D501-K503 VanDerWaalsContact O-N 3.08Å; D501-K503 WeakPolarHBondContact OD1-CB 3.1Å; D501-K503 PolarHBondContact OD1-N 3.23Å; D501-T504 PolarHBondContact O-N 3.41Å; D501-T504 VanDerWaalsContact OD2-CB 3.28Å; D501-T504 WeakPolarHBondContact OD2-CB 3.5Å; D501-T504 PolarHBondContact OD2-N 2.7Å; D501-T504 PolarHBondContact OD2-OG1 3.24Å; D501-H505 PolarHBondContact O-N 3.08Å
502L81.4Confident76.9Confident95 Ų9584 Ų8450%0.49740%0.402SS..Hα-helixtrans-55.5-23.3175.9-79.9146000112.8R500 K506R500-L502 VanDerWaalsContact C-N 3.28Å; R500-L502 HydrophobicContact CB-CD1 4.4Å; R500-L502 HydrophobicContact CB-CG 4.12Å; R500-L502 PolarHBondContact O-N 3.23Å; L502-K506 VanDerWaalsContact O-CG 3.25Å; L502-K506 WeakPolarHBondContact O-CG 3.1Å; L502-K506 PolarHBondContact O-N 3.13Å
503K85.6Confident77.1Confident150 Ų15085.1 Ų85.165%0.65242%0.416SS*.Hα-helixtrans-74.7-49.8179.6-61.9-179.3178.2178.20110.6F408 D501 H505 K506 M507F408-K503 HydrophobicContact CD2-CB 4.09Å; F408-K503 HydrophobicContact CE2-CB 3.78Å; D501-K503 PolarHBondContact O-N 3.36Å; D501-K503 VanDerWaalsContact O-N 3.08Å; D501-K503 WeakPolarHBondContact OD1-CB 3.1Å; D501-K503 PolarHBondContact OD1-N 3.23Å; K503-H505 PolarHBondContact O-N 3.35Å; K503-K506 PolarHBondContact O-N 2.63Å; K503-M507 PolarHBondContact O-N 3.13Å
504T86.8Confident77.6Confident23 Ų2384 Ų8414%0.14141%0.408CS..Hα-helixtrans-60.9-42178.1-67.30000112.3K404 D501 K506 M507 Y508K404-T504 HydrophobicContact CD-CG2 4.32Å; K404-T504 HydrophobicContact CG-CG2 3.88Å; D501-T504 PolarHBondContact O-N 3.41Å; D501-T504 VanDerWaalsContact OD2-CB 3.28Å; D501-T504 WeakPolarHBondContact OD2-CB 3.5Å; D501-T504 PolarHBondContact OD2-N 2.7Å; D501-T504 PolarHBondContact OD2-OG1 3.24Å; T504-K506 PolarHBondContact O-N 3.22Å; T504-M507 HydrophobicContact CG2-CE 4.34Å; T504-M507 WeakPolarHBondContact O-CB 3.45Å; T504-M507 PolarHBondContact O-N 3.4Å; T504-M507 VanDerWaalsContact O-N 3.15Å; T504-Y508 HydrophobicContact CG2-CD2 3.97Å; T504-Y508 HydrophobicContact CG2-CE2 3.73Å; T504-Y508 PolarHBondContact O-N 3Å
505H86.9Confident78.7Confident62 Ų6282.7 Ų82.729%0.28740%0.402SS..Hα-helixtrans-60.5-45.6175.517672.4000112.4C492 D501 K503 M507 Y508 L509C492-H505 PolarHBondContact O-CE1 2.89Å; C492-H505 PolarHBondContact O-ND1 2.99Å; D501-H505 PolarHBondContact O-N 3.08Å; K503-H505 PolarHBondContact O-N 3.35Å; H505-M507 VanDerWaalsContact C-N 3.26Å; H505-M507 PolarHBondContact O-N 3.21Å; H505-Y508 PolarHBondContact O-N 2.84Å; H505-L509 WeakPolarHBondContact NE2-CD1 3.43Å; H505-L509 WeakPolarHBondContact O-CG 3.28Å; H505-L509 PolarHBondContact O-N 3.44Å; H505-L509 VanDerWaalsContact O-N 3.09Å
506K89.3Confident80.2Confident141 Ų14177.6 Ų77.661%0.61338%0.382SS*.Hα-helixtrans-62.6-34.4175.3-75.4176.9-177.4-175.90112.3L502 K503 T504 N510L502-K506 VanDerWaalsContact O-CG 3.25Å; L502-K506 WeakPolarHBondContact O-CG 3.1Å; L502-K506 PolarHBondContact O-N 3.13Å; K503-K506 PolarHBondContact O-N 2.63Å; T504-K506 PolarHBondContact O-N 3.22Å; K506-N510 WeakPolarHBondContact O-CB 3.31Å; K506-N510 PolarHBondContact O-N 2.86Å
507M91.9Very high82Confident7 Ų776.9 Ų76.93%0.03438%0.375CS..Hα-helixtrans-61.6-51.8175.1178.3-77.7-67.500110.7L403 K404 F408 I411 K503 T504 H505 L509 N510 V511L403-M507 HydrophobicContact CB-CE 4.02Å; L403-M507 HydrophobicContact CB-SD 4.12Å; K404-M507 HydrophobicContact CG-CE 4.39Å; F408-M507 HydrophobicContact CD1-CB 4.12Å; F408-M507 HydrophobicContact CD1-CG 3.69Å; F408-M507 HydrophobicContact CD2-CB 4.2Å; F408-M507 HydrophobicContact CE1-CB 4.2Å; F408-M507 HydrophobicContact CE1-CE 4.33Å; F408-M507 HydrophobicContact CE1-CG 3.87Å; F408-M507 HydrophobicContact CE2-CB 4.27Å; F408-M507 HydrophobicContact CG-CB 4.14Å; F408-M507 HydrophobicContact CG-CG 4.13Å; F408-M507 HydrophobicContact CZ-CB 4.27Å; F408-M507 HydrophobicContact CZ-CG 4.42Å; I411-M507 HydrophobicContact CD1-CG 3.62Å; I411-M507 HydrophobicContact CD1-SD 3.86Å; I411-M507 HydrophobicContact CG2-CG 4.41Å; K503-M507 PolarHBondContact O-N 3.13Å; T504-M507 HydrophobicContact CG2-CE 4.34Å; T504-M507 WeakPolarHBondContact O-CB 3.45Å; T504-M507 PolarHBondContact O-N 3.4Å; T504-M507 VanDerWaalsContact O-N 3.15Å; H505-M507 VanDerWaalsContact C-N 3.26Å; H505-M507 PolarHBondContact O-N 3.21Å; M507-L509 VanDerWaalsContact C-N 3.33Å; M507-L509 PolarHBondContact O-N 3.37Å; M507-N510 CarbonylContact O-C 3.32Å; M507-N510 WeakPolarHBondContact O-CA 3.39Å; M507-N510 VanDerWaalsContact O-CB 3.26Å; M507-N510 WeakPolarHBondContact O-CB 3.21Å; M507-N510 PolarHBondContact O-N 3.06Å; M507-V511 WeakPolarHBondContact O-CG2 3.45Å; M507-V511 PolarHBondContact O-N 2.79Å; M507-V511 HydrophobicContact SD-CG2 3.57Å; M507-V511 VanDerWaalsContact SD-CG2 3.57Å
508Y93.8Very high84Confident2 Ų274.6 Ų74.61%0.00837%0.365CS..Hα-helixtrans-62.4-37.7178.4-77-62.2000113.2V400 L403 K404 V488 E491 T504 H505 N510 V511 I512V400-Y508 HydrophobicContact CG1-CE1 3.98Å; V400-Y508 WeakPolarHBondContact O-CE1 3.36Å; V400-Y508 PolarHBondContact O-OH 2.92Å; L403-Y508 HydrophobicContact CB-CE1 4.48Å; L403-Y508 HydrophobicContact CD1-CE1 4.39Å; K404-Y508 VanDerWaalsContact CE-OH 3.32Å; K404-Y508 WeakPolarHBondContact CE-OH 3.23Å; K404-Y508 HydrophobicContact CG-CE2 4.1Å; K404-Y508 WeakPolarHBondContact CG-OH 3.44Å; V488-Y508 HydrophobicContact CG1-CD1 4.32Å; E491-Y508 HydrophobicContact CB-CD1 4.14Å; E491-Y508 HydrophobicContact CB-CD2 3.8Å; E491-Y508 HydrophobicContact CB-CE1 4.2Å; E491-Y508 HydrophobicContact CB-CE2 3.84Å; E491-Y508 HydrophobicContact CB-CG 3.95Å; E491-Y508 HydrophobicContact CG-CE1 4.31Å; E491-Y508 HydrophobicContact CG-CE2 4.22Å; T504-Y508 HydrophobicContact CG2-CD2 3.97Å; T504-Y508 HydrophobicContact CG2-CE2 3.73Å; T504-Y508 PolarHBondContact O-N 3Å; H505-Y508 PolarHBondContact O-N 2.84Å; Y508-N510 VanDerWaalsContact C-N 3.26Å; Y508-N510 PolarHBondContact O-N 3Å; Y508-V511 PolarHBondContact O-N 3.29Å; Y508-I512 PolarHBondContact O-N 2.99Å
509L92.1Very high86.3Confident82 Ų8265.1 Ų65.143%0.42932%0.32SS..Hα-helixtrans-61-35.4171.5-71.8-179.3000112.5C492 H505 M507 I512 G513C492-L509 HydrophobicContact CB-CD2 4.15Å; H505-L509 WeakPolarHBondContact NE2-CD1 3.43Å; H505-L509 WeakPolarHBondContact O-CG 3.28Å; H505-L509 PolarHBondContact O-N 3.44Å; H505-L509 VanDerWaalsContact O-N 3.09Å; M507-L509 VanDerWaalsContact C-N 3.33Å; M507-L509 PolarHBondContact O-N 3.37Å; L509-I512 VanDerWaalsContact O-CG2 3.25Å; L509-I512 WeakPolarHBondContact O-CG2 3.24Å; L509-G513 PolarHBondContact O-N 3.42Å; L509-G513 VanDerWaalsContact O-N 3.09Å
510N91.8Very high88.1Confident45 Ų4560.8 Ų60.824%0.24130%0.303CS..Hα-helixtrans-68.8-45.3173.5-165.2-38.2000111Q412 K506 M507 Y508 I512 G513 R514Q412-N510 WeakPolarHBondContact CA-ND2 3.3Å; K506-N510 WeakPolarHBondContact O-CB 3.31Å; K506-N510 PolarHBondContact O-N 2.86Å; M507-N510 CarbonylContact O-C 3.32Å; M507-N510 WeakPolarHBondContact O-CA 3.39Å; M507-N510 VanDerWaalsContact O-CB 3.26Å; M507-N510 WeakPolarHBondContact O-CB 3.21Å; M507-N510 PolarHBondContact O-N 3.06Å; Y508-N510 VanDerWaalsContact C-N 3.26Å; Y508-N510 PolarHBondContact O-N 3Å; N510-I512 PolarHBondContact O-N 2.77Å; N510-G513 CarbonylContact O-C 3.52Å; N510-G513 WeakPolarHBondContact O-CA 3.3Å; N510-G513 PolarHBondContact O-N 2.97Å; N510-G513 VanDerWaalsContact O-N 3.12Å; N510-R514 WeakPolarHBondContact O-CG 3.5Å; N510-R514 PolarHBondContact O-N 3.33Å; N510-R514 WeakPolarHBondContact OD1-CD 3.08Å; N510-R514 WeakPolarHBondContact OD1-CG 3.49Å
511V94.6Very high89.7Confident4 Ų456.7 Ų56.72%0.02429%0.291CS..Hα-helixtrans-56.1-49.4177.2175.10000111.2L403 I411 V488 M507 Y508 G513 R514 F515L403-V511 HydrophobicContact CD1-CG1 4.24Å; L403-V511 HydrophobicContact CD1-CG2 4.24Å; I411-V511 HydrophobicContact CG2-CG2 3.93Å; V488-V511 HydrophobicContact CG1-CG1 4.29Å; V488-V511 HydrophobicContact CG2-CG1 4.25Å; M507-V511 WeakPolarHBondContact O-CG2 3.45Å; M507-V511 PolarHBondContact O-N 2.79Å; M507-V511 HydrophobicContact SD-CG2 3.57Å; M507-V511 VanDerWaalsContact SD-CG2 3.57Å; Y508-V511 PolarHBondContact O-N 3.29Å; V511-G513 VanDerWaalsContact C-N 3.32Å; V511-G513 PolarHBondContact O-N 3.17Å; V511-R514 PolarHBondContact O-N 3.48Å; V511-F515 WeakPolarHBondContact O-CB 3.42Å; V511-F515 PolarHBondContact O-N 3.47Å
512I93.4Very high90.4Very high28 Ų2853.7 Ų53.714%0.14428%0.279CS..Hα-helixtrans-66.3-35.2178.3-165.166.3000111.9Y485 V488 I489 Y508 L509 N510 F515 S516Y485-I512 HydrophobicContact CD2-CD1 3.93Å; Y485-I512 HydrophobicContact CE2-CD1 4.2Å; V488-I512 HydrophobicContact CG1-CB 3.91Å; V488-I512 HydrophobicContact CG1-CD1 4.25Å; I489-I512 HydrophobicContact CD1-CD1 4.35Å; I489-I512 HydrophobicContact CD1-CG1 4.21Å; I489-I512 HydrophobicContact CG1-CD1 4.35Å; Y508-I512 PolarHBondContact O-N 2.99Å; L509-I512 VanDerWaalsContact O-CG2 3.25Å; L509-I512 WeakPolarHBondContact O-CG2 3.24Å; N510-I512 PolarHBondContact O-N 2.77Å; I512-F515 HydrophobicContact CD1-CD1 4.22Å; I512-F515 PolarHBondContact O-N 2.96Å; I512-S516 WeakPolarHBondContact O-CB 3.29Å; I512-S516 PolarHBondContact O-N 2.92Å
513G92.4Very high90.7Very high38 Ų3853.6 Ų53.639%0.39228%0.279SS..Hα-helixtrans-61.2-49.5173.400000112.1L509 N510 V511 S516 Q517L509-G513 PolarHBondContact O-N 3.42Å; L509-G513 VanDerWaalsContact O-N 3.09Å; N510-G513 CarbonylContact O-C 3.52Å; N510-G513 WeakPolarHBondContact O-CA 3.3Å; N510-G513 PolarHBondContact O-N 2.97Å; N510-G513 VanDerWaalsContact O-N 3.12Å; V511-G513 VanDerWaalsContact C-N 3.32Å; V511-G513 PolarHBondContact O-N 3.17Å; G513-S516 PolarHBondContact O-N 3.47Å; G513-Q517 WeakPolarHBondContact O-CB 3.08Å; G513-Q517 PolarHBondContact O-N 2.68Å
514R92.5Very high91Very high39 Ų3954.2 Ų54.215%0.14728%0.282CS..Hα-helixtrans-61.4-43.3175.2-74.4-17565-163.2-7.5111.6I411 T468 I471 N510 V511 Q517 A518I411-R514 WeakPolarHBondContact O-CD 3.42Å; I411-R514 PolarHBondContact O-NH1 2.91Å; T468-R514 PolarHBondContact OG1-NH2 3.49Å; I471-R514 HydrophobicContact CD1-CB 3.77Å; N510-R514 WeakPolarHBondContact O-CG 3.5Å; N510-R514 PolarHBondContact O-N 3.33Å; N510-R514 WeakPolarHBondContact OD1-CD 3.08Å; N510-R514 WeakPolarHBondContact OD1-CG 3.49Å; V511-R514 PolarHBondContact O-N 3.48Å; R514-Q517 PolarHBondContact O-N 3.18Å; R514-A518 WeakPolarHBondContact O-CB 3.41Å; R514-A518 PolarHBondContact O-N 2.65Å
515F94.8Very high91.1Very high4 Ų456.6 Ų56.62%0.01830%0.3CS..Hα-helixtrans-61.7-48177.1-176.6-136.7000111.2I471 A474 A481 L484 V511 I512 Q517 A518 L519 L533I471-F515 HydrophobicContact CB-CD2 4.5Å; I471-F515 HydrophobicContact CD1-CB 4.22Å; I471-F515 HydrophobicContact CG1-CB 4.11Å; I471-F515 HydrophobicContact CG1-CD2 4.18Å; I471-F515 HydrophobicContact CG2-CD2 4.17Å; A474-F515 HydrophobicContact CB-CE2 3.77Å; A474-F515 HydrophobicContact CB-CZ 4.13Å; A481-F515 HydrophobicContact CB-CZ 3.93Å; L484-F515 HydrophobicContact CD2-CD2 4.32Å; L484-F515 HydrophobicContact CD2-CE1 4.5Å; L484-F515 HydrophobicContact CD2-CE2 4.2Å; L484-F515 HydrophobicContact CD2-CZ 4.29Å; V511-F515 WeakPolarHBondContact O-CB 3.42Å; V511-F515 PolarHBondContact O-N 3.47Å; I512-F515 HydrophobicContact CD1-CD1 4.22Å; I512-F515 PolarHBondContact O-N 2.96Å; F515-Q517 VanDerWaalsContact C-N 3.31Å; F515-Q517 PolarHBondContact O-N 2.94Å; F515-A518 PolarHBondContact O-N 2.96Å; F515-L519 HydrophobicContact CD1-CD1 4.34Å; F515-L519 HydrophobicContact CD2-CD1 4.32Å; F515-L519 HydrophobicContact CD2-CG 4.13Å; F515-L519 HydrophobicContact CE1-CD1 3.97Å; F515-L519 HydrophobicContact CE2-CD1 3.95Å; F515-L519 HydrophobicContact CE2-CD2 3.9Å; F515-L519 HydrophobicContact CE2-CG 3.87Å; F515-L519 HydrophobicContact CZ-CD1 3.77Å; F515-L519 HydrophobicContact CZ-CD2 4.26Å; F515-L519 HydrophobicContact CZ-CG 4.2Å; F515-L519 VanDerWaalsContact O-CG 3.31Å; F515-L519 WeakPolarHBondContact O-CG 3.21Å; F515-L519 PolarHBondContact O-N 3.48Å; F515-L533 HydrophobicContact CE1-CD1 4.23Å; F515-L533 HydrophobicContact CZ-CD1 4.48Å
516S91.9Very high91.3Very high40 Ų4054.2 Ų54.228%0.2829%0.289SS..Hα-helixtrans-60.9-37.9176.2-166.10000112.6I512 G513 L520 R530I512-S516 WeakPolarHBondContact O-CB 3.29Å; I512-S516 PolarHBondContact O-N 2.92Å; G513-S516 PolarHBondContact O-N 3.47Å; S516-L520 WeakPolarHBondContact O-CB 3.33Å; S516-L520 PolarHBondContact O-N 3.49Å; S516-R530 PolarHBondContact O-NE 3.27Å; S516-R530 PolarHBondContact OG-NE 3.1Å; S516-R530 VanDerWaalsContact OG-NE 3.12Å; S516-R530 PolarHBondContact OG-NH2 3.14Å
517Q91.2Very high91.4Very high95 Ų9553.2 Ų53.244%0.44428%0.282SS..Hα-helixtrans-69.6-42.7176.4-170-177.517.900112.3G513 R514 F515 L519 L520 K521G513-Q517 WeakPolarHBondContact O-CB 3.08Å; G513-Q517 PolarHBondContact O-N 2.68Å; R514-Q517 PolarHBondContact O-N 3.18Å; F515-Q517 VanDerWaalsContact C-N 3.31Å; F515-Q517 PolarHBondContact O-N 2.94Å; Q517-L519 VanDerWaalsContact C-N 3.29Å; Q517-L519 PolarHBondContact O-N 3.5Å; Q517-L520 PolarHBondContact O-N 3.1Å; Q517-K521 HydrophobicContact CG-CD 4.31Å; Q517-K521 HydrophobicContact CG-CG 4.49Å; Q517-K521 WeakPolarHBondContact O-CG 3.29Å; Q517-K521 PolarHBondContact O-N 2.78Å
518A91.3Very high91.4Very high31 Ų3156.4 Ų56.426%0.25630%0.301SS..Hα-helixtrans-59.9-43.1174.300000110.6I471 R514 F515 L520 K521 G522I471-A518 HydrophobicContact CG2-CB 3.55Å; R514-A518 WeakPolarHBondContact O-CB 3.41Å; R514-A518 PolarHBondContact O-N 2.65Å; F515-A518 PolarHBondContact O-N 2.96Å; A518-L520 VanDerWaalsContact C-N 3.31Å; A518-L520 PolarHBondContact O-N 3.47Å; A518-K521 PolarHBondContact O-N 2.76Å; A518-G522 PolarHBondContact O-N 3.32Å
519L91.2Very high91.4Very high4 Ų457.6 Ų57.62%0.02131%0.307CS..Hα-helixtrans-66.2-32.6176.5-65.7176.6000113.1F515 Q517 V526 R527 M529 R530 L533F515-L519 HydrophobicContact CD1-CD1 4.34Å; F515-L519 HydrophobicContact CD2-CD1 4.32Å; F515-L519 HydrophobicContact CD2-CG 4.13Å; F515-L519 HydrophobicContact CE1-CD1 3.97Å; F515-L519 HydrophobicContact CE2-CD1 3.95Å; F515-L519 HydrophobicContact CE2-CD2 3.9Å; F515-L519 HydrophobicContact CE2-CG 3.87Å; F515-L519 HydrophobicContact CZ-CD1 3.77Å; F515-L519 HydrophobicContact CZ-CD2 4.26Å; F515-L519 HydrophobicContact CZ-CG 4.2Å; F515-L519 VanDerWaalsContact O-CG 3.31Å; F515-L519 WeakPolarHBondContact O-CG 3.21Å; F515-L519 PolarHBondContact O-N 3.48Å; Q517-L519 VanDerWaalsContact C-N 3.29Å; Q517-L519 PolarHBondContact O-N 3.5Å; L519-V526 HydrophobicContact CB-CG1 4.11Å; L519-V526 HydrophobicContact CD2-CG1 3.36Å; L519-V526 HydrophobicContact CG-CG1 4.32Å; L519-R527 WeakPolarHBondContact O-CG 3.27Å; L519-M529 HydrophobicContact CD2-SD 4.2Å; L519-R530 HydrophobicContact CB-CB 3.91Å; L519-R530 HydrophobicContact CB-CG 4.09Å; L519-R530 HydrophobicContact CD1-CB 4.18Å; L519-R530 HydrophobicContact CD1-CG 4.27Å; L519-L533 HydrophobicContact CD1-CD1 3.91Å
520L89.3Confident91.4Very high90 Ų9057.9 Ų57.947%0.47130%0.303SS..Hα-helixtrans-73-42.1177.2176.162.6000112.4S516 Q517 A518 G522 R527 R530S516-L520 WeakPolarHBondContact O-CB 3.33Å; S516-L520 PolarHBondContact O-N 3.49Å; Q517-L520 PolarHBondContact O-N 3.1Å; A518-L520 VanDerWaalsContact C-N 3.31Å; A518-L520 PolarHBondContact O-N 3.47Å; L520-G522 VanDerWaalsContact C-N 3.33Å; L520-R527 WeakPolarHBondContact O-CD 2.9Å; L520-R530 VanDerWaalsContact CD1-NH1 3.33Å
521K88.9Confident91.5Very high126 Ų12659.1 Ų59.155%0.54832%0.315SS..Hα-helixtrans-75.3-22.1179-70.9-179.6179.3176.90112.7E416 Q517 A518E416-K521 IonicContact OE1-NZ 3.94Å; E416-K521 PolarHBondContact OE1-NZ 2.96Å; E416-K521 IonicContact OE2-NZ 3.75Å; Q517-K521 HydrophobicContact CG-CD 4.31Å; Q517-K521 HydrophobicContact CG-CG 4.49Å; Q517-K521 WeakPolarHBondContact O-CG 3.29Å; Q517-K521 PolarHBondContact O-N 2.78Å; A518-K521 PolarHBondContact O-N 2.76Å
522G87.4Confident91.5Very high21 Ų2160.8 Ų60.822%0.21632%0.324CS..SBendtrans-62.8179.1179.700000113.8A518 L520 R527A518-G522 PolarHBondContact O-N 3.32Å; L520-G522 VanDerWaalsContact C-N 3.33Å; G522-R527 PolarHBondContact O-NH1 2.96Å
523D88.5Confident91.6Very high94 Ų9459.9 Ų59.950%0.50332%0.319SS..  trans-67.5-177.5-179.174.218.1000113.3S525 V526 R527D523-S525 VanDerWaalsContact C-N 3.26Å; D523-S525 PolarHBondContact O-N 3.44Å; D523-S525 WeakPolarHBondContact OD1-CA 3.22Å; D523-S525 WeakPolarHBondContact OD1-CB 3.35Å; D523-S525 PolarHBondContact OD1-N 3.34Å; D523-S525 PolarHBondContact OD1-OG 3.06Å; D523-S525 PolarHBondContact OD2-OG 3.09Å; D523-V526 PolarHBondContact O-N 3.44Å; D523-V526 WeakPolarHBondContact OD1-CG2 3.29Å; D523-V526 PolarHBondContact OD1-N 3.1Å; D523-R527 WeakPolarHBondContact O-CG 3.27Å; D523-R527 PolarHBondContact O-N 3.12Å
524K90.8Very high91.7Very high162 Ų16260.7 Ų60.770%0.70432%0.322SS*.Hα-helixtrans-58.3-38.3-180-173-179.5177.7-176.30112.3R527 V528K524-R527 PolarHBondContact O-N 3.34Å; K524-V528 WeakPolarHBondContact O-CG2 3.49Å; K524-V528 PolarHBondContact O-N 3.41Å
525S89.8Confident91.8Very high74 Ų7461.1 Ų61.152%0.51733%0.331SS..Hα-helixtrans-67.8-42.9-178.177.40000111.3D523 R527 V528 M529D523-S525 VanDerWaalsContact C-N 3.26Å; D523-S525 PolarHBondContact O-N 3.44Å; D523-S525 WeakPolarHBondContact OD1-CA 3.22Å; D523-S525 WeakPolarHBondContact OD1-CB 3.35Å; D523-S525 PolarHBondContact OD1-N 3.34Å; D523-S525 PolarHBondContact OD1-OG 3.06Å; D523-S525 PolarHBondContact OD2-OG 3.09Å; S525-R527 PolarHBondContact O-N 3.46Å; S525-V528 WeakPolarHBondContact O-CB 3.42Å; S525-V528 PolarHBondContact O-N 2.94Å; S525-M529 PolarHBondContact O-N 3.37Å
526V90.2Very high91.9Very high11 Ų1161 Ų617%0.06733%0.331CS..Hα-helixtrans-67-38.2178.1-176.60000111C475 L519 D523 V528 M529 R530C475-V526 HydrophobicContact CB-CG1 4.43Å; C475-V526 WeakPolarHBondContact O-CG2 3.43Å; L519-V526 HydrophobicContact CB-CG1 4.11Å; L519-V526 HydrophobicContact CD2-CG1 3.36Å; L519-V526 HydrophobicContact CG-CG1 4.32Å; D523-V526 PolarHBondContact O-N 3.44Å; D523-V526 WeakPolarHBondContact OD1-CG2 3.29Å; D523-V526 PolarHBondContact OD1-N 3.1Å; V526-V528 PolarHBondContact O-N 3.44Å; V526-M529 VanDerWaalsContact O-CB 3.32Å; V526-M529 WeakPolarHBondContact O-CB 3.41Å; V526-M529 PolarHBondContact O-N 3.14Å; V526-R530 PolarHBondContact O-N 3.36Å
527R91.8Very high92.1Very high120 Ų12060.5 Ų60.545%0.45332%0.324SS..Hα-helixtrans-65.8-36.5173.8-70.6-169.5-58.8-96.57.7113L519 L520 G522 D523 K524 S525 R530 S531L519-R527 WeakPolarHBondContact O-CG 3.27Å; L520-R527 WeakPolarHBondContact O-CD 2.9Å; G522-R527 PolarHBondContact O-NH1 2.96Å; D523-R527 WeakPolarHBondContact O-CG 3.27Å; D523-R527 PolarHBondContact O-N 3.12Å; K524-R527 PolarHBondContact O-N 3.34Å; S525-R527 PolarHBondContact O-N 3.46Å; R527-R530 WeakPolarHBondContact O-CB 3.49Å; R527-R530 PolarHBondContact O-N 3.41Å; R527-S531 PolarHBondContact O-N 3.32Å
528V92.7Very high92.2Very high74 Ų7459 Ų5945%0.44832%0.322SS..Hα-helixtrans-63.9-43.5172.6169.50000110.2K524 S525 V526 R530 S531 L532K524-V528 WeakPolarHBondContact O-CG2 3.49Å; K524-V528 PolarHBondContact O-N 3.41Å; S525-V528 WeakPolarHBondContact O-CB 3.42Å; S525-V528 PolarHBondContact O-N 2.94Å; V526-V528 PolarHBondContact O-N 3.44Å; V528-R530 VanDerWaalsContact C-N 3.31Å; V528-R530 PolarHBondContact O-N 3.4Å; V528-S531 WeakPolarHBondContact O-CB 3.3Å; V528-S531 PolarHBondContact O-N 3Å; V528-L532 HydrophobicContact CG1-CD1 4.08Å; V528-L532 HydrophobicContact CG1-CG 4.3Å; V528-L532 WeakPolarHBondContact O-CG 2.91Å; V528-L532 PolarHBondContact O-N 3.22Å
529M92.4Very high92.4Very high27 Ų2757.9 Ų57.913%0.13331%0.311CS..Hα-helixtrans-55.6-45175.3-170.3-172-58.700111.8A481 L519 S525 V526 S531 L532 L533A481-M529 HydrophobicContact CB-CG 4.29Å; A481-M529 HydrophobicContact CB-SD 3.24Å; A481-M529 WeakPolarHBondContact CB-SD 3.42Å; L519-M529 HydrophobicContact CD2-SD 4.2Å; S525-M529 PolarHBondContact O-N 3.37Å; V526-M529 VanDerWaalsContact O-CB 3.32Å; V526-M529 WeakPolarHBondContact O-CB 3.41Å; V526-M529 PolarHBondContact O-N 3.14Å; M529-S531 VanDerWaalsContact C-N 3.33Å; M529-S531 PolarHBondContact O-N 3.43Å; M529-L532 PolarHBondContact O-N 3.16Å; M529-L532 VanDerWaalsContact O-N 3.16Å; M529-L533 WeakPolarHBondContact O-CG 3.34Å; M529-L533 PolarHBondContact O-N 3.19Å
530R93.3Very high92.7Very high88 Ų8857.7 Ų57.733%0.33231%0.31SS..Hα-helixtrans-55.9-45.8173.6-166.5180178.2-138.51.4112.7S516 L519 L520 V526 R527 V528 L532 L533 A534S516-R530 PolarHBondContact O-NE 3.27Å; S516-R530 PolarHBondContact OG-NE 3.1Å; S516-R530 VanDerWaalsContact OG-NE 3.12Å; S516-R530 PolarHBondContact OG-NH2 3.14Å; L519-R530 HydrophobicContact CB-CB 3.91Å; L519-R530 HydrophobicContact CB-CG 4.09Å; L519-R530 HydrophobicContact CD1-CB 4.18Å; L519-R530 HydrophobicContact CD1-CG 4.27Å; L520-R530 VanDerWaalsContact CD1-NH1 3.33Å; V526-R530 PolarHBondContact O-N 3.36Å; R527-R530 WeakPolarHBondContact O-CB 3.49Å; R527-R530 PolarHBondContact O-N 3.41Å; V528-R530 VanDerWaalsContact C-N 3.31Å; V528-R530 PolarHBondContact O-N 3.4Å; R530-L532 VanDerWaalsContact C-N 3.32Å; R530-L533 PolarHBondContact O-N 3.2Å; R530-A534 PolarHBondContact O-N 2.64Å; R530-A534 VanDerWaalsContact O-N 3.11Å
531S93.7Very high92.9Very high72 Ų7256.6 Ų56.650%0.50330%0.304SS..Hα-helixtrans-63.3-40.2178-169.50000111.5R527 V528 M529 A534 S535R527-S531 PolarHBondContact O-N 3.32Å; V528-S531 WeakPolarHBondContact O-CB 3.3Å; V528-S531 PolarHBondContact O-N 3Å; M529-S531 VanDerWaalsContact C-N 3.33Å; M529-S531 PolarHBondContact O-N 3.43Å; S531-A534 PolarHBondContact O-N 2.9Å; S531-S535 PolarHBondContact O-N 2.92Å; S531-S535 PolarHBondContact O-OG 2.75Å; S531-S535 VanDerWaalsContact O-OG 3.14Å
532L94.6Very high93.2Very high38 Ų3854.8 Ų54.820%0.19929%0.294CS..Hα-helixtrans-65.8-41.8178.1-68.4174.4000111.9V528 M529 R530 A534 S535 Q536 P583V528-L532 HydrophobicContact CG1-CD1 4.08Å; V528-L532 HydrophobicContact CG1-CG 4.3Å; V528-L532 WeakPolarHBondContact O-CG 2.91Å; V528-L532 PolarHBondContact O-N 3.22Å; M529-L532 PolarHBondContact O-N 3.16Å; M529-L532 VanDerWaalsContact O-N 3.16Å; R530-L532 VanDerWaalsContact C-N 3.32Å; L532-A534 VanDerWaalsContact C-N 3.34Å; L532-A534 PolarHBondContact O-N 3.36Å; L532-S535 PolarHBondContact O-N 3.27Å; L532-Q536 WeakPolarHBondContact O-CG 3.43Å; L532-Q536 PolarHBondContact O-N 3.5Å; L532-P583 HydrophobicContact CD1-CG 4.25Å
533L95.5Very high93.6Very high10 Ų1053.8 Ų53.85%0.05228%0.284CS..Hα-helixtrans-61.2-42.3174.8-67.3172.8000111.5N482 Y485 F515 L519 M529 R530 S535 Q536 Q537N482-L533 HydrophobicContact CB-CD2 4.49Å; Y485-L533 HydrophobicContact CD1-CD2 4.39Å; Y485-L533 HydrophobicContact CD2-CB 4.4Å; Y485-L533 HydrophobicContact CD2-CD1 4.18Å; Y485-L533 HydrophobicContact CG-CD1 4.3Å; Y485-L533 HydrophobicContact CG-CD2 4.14Å; F515-L533 HydrophobicContact CE1-CD1 4.23Å; F515-L533 HydrophobicContact CZ-CD1 4.48Å; L519-L533 HydrophobicContact CD1-CD1 3.91Å; M529-L533 WeakPolarHBondContact O-CG 3.34Å; M529-L533 PolarHBondContact O-N 3.19Å; R530-L533 PolarHBondContact O-N 3.2Å; L533-S535 PolarHBondContact O-N 3.43Å; L533-Q536 WeakPolarHBondContact O-CB 3.42Å; L533-Q536 PolarHBondContact O-N 3.2Å; L533-Q537 PolarHBondContact O-N 3.14Å
534A94.7Very high93.9Very high54 Ų5449.7 Ų49.745%0.44626%0.262SS..Hα-helixtrans-64.4-39.5175.700000112.5R530 S531 L532 Q537 T538R530-A534 PolarHBondContact O-N 2.64Å; R530-A534 VanDerWaalsContact O-N 3.11Å; S531-A534 PolarHBondContact O-N 2.9Å; L532-A534 VanDerWaalsContact C-N 3.34Å; L532-A534 PolarHBondContact O-N 3.36Å; A534-Q537 PolarHBondContact O-N 2.72Å; A534-T538 PolarHBondContact O-N 2.98Å; A534-T538 PolarHBondContact O-OG1 3.36Å
535S94.9Very high94Very high49 Ų4948.3 Ų48.334%0.34326%0.258SS..Hα-helixtrans-65.5-39.3173.7-62.90000112.1S531 L532 L533 T538 F539S531-S535 PolarHBondContact O-N 2.92Å; S531-S535 PolarHBondContact O-OG 2.75Å; S531-S535 VanDerWaalsContact O-OG 3.14Å; L532-S535 PolarHBondContact O-N 3.27Å; L533-S535 PolarHBondContact O-N 3.43Å; S535-T538 PolarHBondContact O-N 3.21Å; S535-F539 WeakPolarHBondContact O-CB 3.38Å; S535-F539 PolarHBondContact O-N 3.38Å
536Q95.8Very high94.2Very high2 Ų245.1 Ų45.11%0.00924%0.235CC..Hα-helixtrans-61.6-45.6172.9-75.8-178-28.100111.9N482 W486 L532 L533 T538 F539 V540 I582 P583 P585N482-Q536 PolarHBondContact OD1-NE2 3.41Å; N482-Q536 PolarHBondContact OD1-OE1 3.21Å; N482-Q536 VanDerWaalsContact OD1-OE1 3.12Å; W486-Q536 HydrophobicContact CZ2-CB 4.11Å; L532-Q536 WeakPolarHBondContact O-CG 3.43Å; L532-Q536 PolarHBondContact O-N 3.5Å; L533-Q536 WeakPolarHBondContact O-CB 3.42Å; L533-Q536 PolarHBondContact O-N 3.2Å; Q536-T538 VanDerWaalsContact C-N 3.34Å; Q536-T538 PolarHBondContact O-N 3.49Å; Q536-F539 WeakPolarHBondContact O-CB 3.47Å; Q536-F539 PolarHBondContact O-N 3.05Å; Q536-V540 WeakPolarHBondContact O-CG2 3.42Å; Q536-V540 PolarHBondContact O-N 3.49Å; Q536-I582 HydrophobicContact CG-CD1 4.42Å; Q536-P583 WeakPolarHBondContact CG-O 3.38Å; Q536-P583 PolarHBondContact NE2-O 2.94Å; Q536-P585 HydrophobicContact CB-CG 4.34Å; Q536-P585 HydrophobicContact CG-CG 4.27Å
537Q95.1Very high94.4Very high28 Ų2844.7 Ų44.713%0.13123%0.233CC..Hα-helixtrans-56.7-50.2175.5-176.668.245.600111Y485 L533 A534 F539 V540 D541Y485-Q537 PolarHBondContact OH-OE1 2.84Å; L533-Q537 PolarHBondContact O-N 3.14Å; A534-Q537 PolarHBondContact O-N 2.72Å; Q537-F539 VanDerWaalsContact C-N 3.25Å; Q537-F539 PolarHBondContact O-N 2.94Å; Q537-V540 PolarHBondContact O-N 3.35Å; Q537-V540 VanDerWaalsContact O-N 3.14Å; Q537-D541 PolarHBondContact NE2-OD1 3.14Å; Q537-D541 VanDerWaalsContact O-CG 3.24Å; Q537-D541 PolarHBondContact O-N 3.12Å
538T95Very high94.5Very high65 Ų6543.5 Ų43.540%0.39923%0.231SC..Hα-helixtrans-58.8-39.6178.5-55.90000111.6A534 S535 Q536 R542A534-T538 PolarHBondContact O-N 2.98Å; A534-T538 PolarHBondContact O-OG1 3.36Å; S535-T538 PolarHBondContact O-N 3.21Å; Q536-T538 VanDerWaalsContact C-N 3.34Å; Q536-T538 PolarHBondContact O-N 3.49Å; T538-R542 VanDerWaalsContact O-CG 3.3Å; T538-R542 WeakPolarHBondContact O-CG 3.42Å; T538-R542 PolarHBondContact O-N 3.35Å; T538-R542 VanDerWaalsContact O-N 3.11Å
539F95.4Very high94.4Very high7 Ų741.8 Ų41.83%0.03122%0.224CC..Hα-helixtrans-62.9-47175.9175.7-92.5000112.1S535 Q536 Q537 R542 L543 L576 I579 I582 I592 I595 F614S535-F539 WeakPolarHBondContact O-CB 3.38Å; S535-F539 PolarHBondContact O-N 3.38Å; Q536-F539 WeakPolarHBondContact O-CB 3.47Å; Q536-F539 PolarHBondContact O-N 3.05Å; Q537-F539 VanDerWaalsContact C-N 3.25Å; Q537-F539 PolarHBondContact O-N 2.94Å; F539-R542 PolarHBondContact O-N 3.38Å; F539-L543 PolarHBondContact O-N 3.08Å; F539-L576 HydrophobicContact CD2-CD2 3.46Å; F539-L576 VanDerWaalsContact CD2-CD2 3.46Å; F539-L576 HydrophobicContact CE2-CD2 3.37Å; F539-L576 HydrophobicContact CG-CD2 4.3Å; F539-L576 HydrophobicContact CZ-CD2 4.11Å; F539-I579 HydrophobicContact CD2-CD1 3.63Å; F539-I579 HydrophobicContact CE2-CD1 3.76Å; F539-I582 HydrophobicContact CB-CD1 3.69Å; F539-I582 HydrophobicContact CD1-CD1 4.23Å; F539-I582 HydrophobicContact CD2-CD1 4.05Å; F539-I582 HydrophobicContact CG-CD1 3.72Å; F539-I592 HydrophobicContact CE1-CD1 4.3Å; F539-I592 HydrophobicContact CZ-CD1 4.22Å; F539-I595 HydrophobicContact CZ-CD1 3.99Å; F539-I595 HydrophobicContact CZ-CG1 4.28Å; F539-F614 AromaticContact CE1-CE1 3.88Å; F539-F614 HydrophobicContact CE1-CE1 3.88Å; F539-F614 HydrophobicContact CE1-CZ 4.35Å; F539-F614 AromaticContact CZ-CE1 3.56Å; F539-F614 HydrophobicContact CZ-CE1 3.56Å; F539-F614 HydrophobicContact CZ-CZ 4.26Å
540V96.1Very high94.4Very high0 Ų040.7 Ų40.70%022%0.219CC..Hα-helixtrans-63.9-43.3177.6175.20000111W486 Q536 Q537 R542 L543 V544 P585 F672W486-V540 HydrophobicContact CH2-CB 3.97Å; W486-V540 HydrophobicContact CH2-CG1 4.35Å; W486-V540 HydrophobicContact CH2-CG2 3.61Å; W486-V540 HydrophobicContact CZ2-CG2 3.96Å; Q536-V540 WeakPolarHBondContact O-CG2 3.42Å; Q536-V540 PolarHBondContact O-N 3.49Å; Q537-V540 PolarHBondContact O-N 3.35Å; Q537-V540 VanDerWaalsContact O-N 3.14Å; V540-R542 VanDerWaalsContact C-N 3.33Å; V540-R542 PolarHBondContact O-N 3.07Å; V540-L543 WeakPolarHBondContact O-CB 3.5Å; V540-L543 PolarHBondContact O-N 3.08Å; V540-L543 VanDerWaalsContact O-N 3.12Å; V540-V544 HydrophobicContact CG1-CG2 4.35Å; V540-V544 WeakPolarHBondContact O-CG2 3.41Å; V540-V544 PolarHBondContact O-N 2.67Å; V540-P585 HydrophobicContact CG2-CG 4.21Å; V540-F672 HydrophobicContact CG2-CE2 3.8Å; V540-F672 HydrophobicContact CG2-CZ 4.05Å
541D94.8Very high94.3Very high67 Ų6739.9 Ų39.936%0.35822%0.219SC..Hα-helixtrans-59.2-43.2178.2-67.1-20.1000111.8Q537 V544 Q545Q537-D541 PolarHBondContact NE2-OD1 3.14Å; Q537-D541 VanDerWaalsContact O-CG 3.24Å; Q537-D541 PolarHBondContact O-N 3.12Å; D541-V544 PolarHBondContact O-N 2.94Å; D541-Q545 WeakPolarHBondContact O-CG 3.38Å; D541-Q545 PolarHBondContact O-N 2.9Å
542R94.6Very high94.1Very high87 Ų8746.5 Ų46.533%0.32823%0.233SC..Hα-helixtrans-63.4-42.4174.7-73.6172-177.3-175.13.7111.8T538 F539 V540 V544 Q545 L546 V574 N575 L576T538-R542 VanDerWaalsContact O-CG 3.3Å; T538-R542 WeakPolarHBondContact O-CG 3.42Å; T538-R542 PolarHBondContact O-N 3.35Å; T538-R542 VanDerWaalsContact O-N 3.11Å; F539-R542 PolarHBondContact O-N 3.38Å; V540-R542 VanDerWaalsContact C-N 3.33Å; V540-R542 PolarHBondContact O-N 3.07Å; R542-V544 VanDerWaalsContact C-N 3.34Å; R542-V544 PolarHBondContact O-N 3.43Å; R542-Q545 PolarHBondContact O-N 3.32Å; R542-L546 PolarHBondContact O-N 3.33Å; R542-V574 WeakPolarHBondContact CD-O 3.44Å; R542-N575 VanDerWaalsContact NH1-CG 3.29Å; R542-N575 PolarHBondContact NH1-ND2 3.16Å; R542-N575 VanDerWaalsContact NH1-ND2 3.15Å; R542-N575 PolarHBondContact NH1-O 3.46Å; R542-L576 HydrophobicContact CB-CD1 4.42Å; R542-L576 HydrophobicContact CB-CD2 3.88Å; R542-L576 HydrophobicContact CB-CG 4.3Å
543L95Very high93.8Very high0 Ų046.9 Ų46.90%023%0.234CC..Hα-helixtrans-63-40.7176.7-175.761.2000111.6F539 V540 L546 M547 L576 I595 L612 F626 F672F539-L543 PolarHBondContact O-N 3.08Å; V540-L543 WeakPolarHBondContact O-CB 3.5Å; V540-L543 PolarHBondContact O-N 3.08Å; V540-L543 VanDerWaalsContact O-N 3.12Å; L543-L546 HydrophobicContact CD1-CD2 4.47Å; L543-L546 PolarHBondContact O-N 3.45Å; L543-M547 WeakPolarHBondContact O-CG 3.44Å; L543-M547 PolarHBondContact O-N 3.15Å; L543-L576 HydrophobicContact CB-CD1 4.32Å; L543-L576 HydrophobicContact CD1-CD1 4.17Å; L543-I595 HydrophobicContact CD1-CD1 4.19Å; L543-L612 HydrophobicContact CD1-CD1 3.85Å; L543-L612 HydrophobicContact CD2-CD1 4.13Å; L543-F626 HydrophobicContact CD2-CB 4.32Å; L543-F626 HydrophobicContact CD2-CD1 3.86Å; L543-F626 HydrophobicContact CD2-CD2 3.68Å; L543-F626 HydrophobicContact CD2-CE1 4.02Å; L543-F626 HydrophobicContact CD2-CE2 3.84Å; L543-F626 HydrophobicContact CD2-CG 3.67Å; L543-F626 HydrophobicContact CD2-CZ 4.01Å; L543-F626 HydrophobicContact CG-CD1 3.91Å; L543-F626 HydrophobicContact CG-CE1 3.82Å; L543-F626 HydrophobicContact CG-CE2 4.44Å; L543-F626 HydrophobicContact CG-CG 4.26Å; L543-F626 HydrophobicContact CG-CZ 4.09Å; L543-F672 HydrophobicContact CD2-CE1 3.74Å; L543-F672 HydrophobicContact CD2-CZ 3.82Å
544V94.9Very high93.2Very high9 Ų950.7 Ų50.76%0.05526%0.261CS..Hα-helixtrans-62.4-44.4174.2170.40000111.2V540 D541 R542 L546 M547 K548 F626V540-V544 HydrophobicContact CG1-CG2 4.35Å; V540-V544 WeakPolarHBondContact O-CG2 3.41Å; V540-V544 PolarHBondContact O-N 2.67Å; D541-V544 PolarHBondContact O-N 2.94Å; R542-V544 VanDerWaalsContact C-N 3.34Å; R542-V544 PolarHBondContact O-N 3.43Å; V544-L546 VanDerWaalsContact C-N 3.34Å; V544-L546 PolarHBondContact O-N 2.93Å; V544-M547 PolarHBondContact O-N 3.39Å; V544-K548 HydrophobicContact CG1-CD 4.11Å; V544-K548 WeakPolarHBondContact O-CG 3.47Å; V544-K548 PolarHBondContact O-N 3.45Å; V544-F626 HydrophobicContact CG2-CZ 3.87Å
545Q93.5Very high92.6Very high133 Ų13350.3 Ų50.362%0.62126%0.262SS*.Hα-helixtrans-60.9-42.9176.2-71.9176.11500111.9D541 R542 K548 A549D541-Q545 WeakPolarHBondContact O-CG 3.38Å; D541-Q545 PolarHBondContact O-N 2.9Å; R542-Q545 PolarHBondContact O-N 3.32Å; Q545-K548 PolarHBondContact O-N 3.47Å; Q545-A549 PolarHBondContact O-N 3.48Å
546L94.2Very high92.1Very high6 Ų653.1 Ų53.13%0.03127%0.274CS..Hα-helixtrans-61.3-46174.8172.4152.5000111.5R542 L543 V544 K548 A549 V550 L564 L567 L568 V574 L576R542-L546 PolarHBondContact O-N 3.33Å; L543-L546 HydrophobicContact CD1-CD2 4.47Å; L543-L546 PolarHBondContact O-N 3.45Å; V544-L546 VanDerWaalsContact C-N 3.34Å; V544-L546 PolarHBondContact O-N 2.93Å; L546-K548 PolarHBondContact O-N 3.44Å; L546-A549 WeakPolarHBondContact O-CB 3.45Å; L546-A549 PolarHBondContact O-N 3.25Å; L546-A549 VanDerWaalsContact O-N 3.13Å; L546-V550 HydrophobicContact CD2-CG2 4.28Å; L546-V550 WeakPolarHBondContact O-CG2 3.38Å; L546-V550 PolarHBondContact O-N 2.99Å; L546-L564 HydrophobicContact CD2-CD1 3.3Å; L546-L564 HydrophobicContact CG-CD1 4.37Å; L546-L567 HydrophobicContact CD1-CB 4.02Å; L546-L567 HydrophobicContact CG-CB 4.38Å; L546-L568 HydrophobicContact CD1-CD2 3.57Å; L546-L568 HydrophobicContact CD1-CG 3.79Å; L546-V574 HydrophobicContact CB-CG1 4.26Å; L546-V574 HydrophobicContact CD1-CG1 3.82Å; L546-L576 HydrophobicContact CB-CD1 4.5Å; L546-L576 HydrophobicContact CD1-CD1 4.12Å
547M94.6Very high91.9Very high2 Ų258.8 Ų58.81%0.0130%0.295CS..Hα-helixtrans-64.7-38.1178.1-71.8-53.8-63.500112.6L543 V544 A549 V550 Q551 L564 L602 A610 F626 H628L543-M547 WeakPolarHBondContact O-CG 3.44Å; L543-M547 PolarHBondContact O-N 3.15Å; V544-M547 PolarHBondContact O-N 3.39Å; M547-A549 VanDerWaalsContact C-N 3.31Å; M547-A549 PolarHBondContact O-N 3.42Å; M547-V550 PolarHBondContact O-N 3.26Å; M547-Q551 WeakPolarHBondContact O-CB 3.39Å; M547-Q551 WeakPolarHBondContact O-CG 3.4Å; M547-Q551 PolarHBondContact O-N 3.18Å; M547-L564 HydrophobicContact SD-CD1 4.29Å; M547-L602 HydrophobicContact CE-CD2 4.31Å; M547-A610 HydrophobicContact CE-CB 3.86Å; M547-A610 HydrophobicContact SD-CB 3.89Å; M547-F626 HydrophobicContact CB-CE1 4.39Å; M547-F626 HydrophobicContact CG-CD1 3.68Å; M547-F626 HydrophobicContact CG-CE1 3.67Å; M547-H628 HydrophobicContact CB-CB 4.23Å
548K93.3Very high91.7Very high96 Ų9664.1 Ų64.142%0.41732%0.318SS..Hα-helixtrans-60.6-40.2172.2-74.8173179.6171.20111.6V544 Q545 L546 Q551 R552 H628V544-K548 HydrophobicContact CG1-CD 4.11Å; V544-K548 WeakPolarHBondContact O-CG 3.47Å; V544-K548 PolarHBondContact O-N 3.45Å; Q545-K548 PolarHBondContact O-N 3.47Å; L546-K548 PolarHBondContact O-N 3.44Å; K548-Q551 PolarHBondContact O-N 2.99Å; K548-R552 VanDerWaalsContact O-CG 3.3Å; K548-R552 WeakPolarHBondContact O-CG 3.29Å; K548-R552 PolarHBondContact O-N 2.95Å; K548-R552 VanDerWaalsContact O-N 3.16Å; K548-H628 WeakPolarHBondContact CE-NE2 3.25Å
549A92.1Very high91.6Very high38 Ų3865.2 Ų65.231%0.31432%0.317SS..Hα-helixtrans-65.6-41.6175.900000112.2Q545 L546 M547 R552 E553 L567Q545-A549 PolarHBondContact O-N 3.48Å; L546-A549 WeakPolarHBondContact O-CB 3.45Å; L546-A549 PolarHBondContact O-N 3.25Å; L546-A549 VanDerWaalsContact O-N 3.13Å; M547-A549 VanDerWaalsContact C-N 3.31Å; M547-A549 PolarHBondContact O-N 3.42Å; A549-R552 PolarHBondContact O-N 3.02Å; A549-E553 PolarHBondContact O-N 3.4Å; A549-L567 HydrophobicContact CB-CD1 4Å
550V92.1Very high91.5Very high3 Ų366 Ų662%0.01832%0.32CS..Hα-helixtrans-66-38.2175.9174.40000111.8L546 M547 R552 E553 K560 L564 L567 L602L546-V550 HydrophobicContact CD2-CG2 4.28Å; L546-V550 WeakPolarHBondContact O-CG2 3.38Å; L546-V550 PolarHBondContact O-N 2.99Å; M547-V550 PolarHBondContact O-N 3.26Å; V550-R552 PolarHBondContact O-N 3.37Å; V550-E553 WeakPolarHBondContact O-CB 3.32Å; V550-E553 PolarHBondContact O-N 2.92Å; V550-K560 HydrophobicContact CG1-CB 4.22Å; V550-L564 HydrophobicContact CG1-CB 4.37Å; V550-L564 HydrophobicContact CG2-CB 3.89Å; V550-L564 HydrophobicContact CG2-CD1 4.1Å; V550-L567 HydrophobicContact CG2-CD1 4.1Å; V550-L602 HydrophobicContact CG1-CD1 4.12Å
551Q89.8Confident91.4Very high71 Ų7166.8 Ų66.833%0.33233%0.325SS..Hα-helixtrans-66.2-36.6177.8-76.3-178.9-15.300112.4M547 K548 E553 K560 H628M547-Q551 WeakPolarHBondContact O-CB 3.39Å; M547-Q551 WeakPolarHBondContact O-CG 3.4Å; M547-Q551 PolarHBondContact O-N 3.18Å; K548-Q551 PolarHBondContact O-N 2.99Å; Q551-E553 VanDerWaalsContact C-N 3.29Å; Q551-E553 PolarHBondContact O-N 2.59Å; Q551-K560 PolarHBondContact O-NZ 3.47Å; Q551-H628 PolarHBondContact NE2-ND1 3.47Å; Q551-H628 PolarHBondContact NE2-O 3.18Å; Q551-H628 PolarHBondContact OE1-CE1 3.26Å; Q551-H628 VanDerWaalsContact OE1-CE1 3.28Å; Q551-H628 PolarHBondContact OE1-ND1 3.3Å
552R89.9Confident91.3Very high211 Ų21168.3 Ų68.380%0.79633%0.33SS*.Hα-helixtrans-68.3-22.7175.9-72.2173.2-173.6-179.91.9113.9K548 A549 V550 S554K548-R552 VanDerWaalsContact O-CG 3.3Å; K548-R552 WeakPolarHBondContact O-CG 3.29Å; K548-R552 PolarHBondContact O-N 2.95Å; K548-R552 VanDerWaalsContact O-N 3.16Å; A549-R552 PolarHBondContact O-N 3.02Å; V550-R552 PolarHBondContact O-N 3.37Å; R552-S554 PolarHBondContact O-N 2.98Å
553E89.1Confident91.3Very high47 Ų4769.2 Ų69.222%0.2233%0.333CS..SBendtrans-62.2126.5177.5-175.163.1-146.300110.3A549 V550 Q551 K559 K560 R563A549-E553 PolarHBondContact O-N 3.4Å; V550-E553 WeakPolarHBondContact O-CB 3.32Å; V550-E553 PolarHBondContact O-N 2.92Å; Q551-E553 VanDerWaalsContact C-N 3.29Å; Q551-E553 PolarHBondContact O-N 2.59Å; E553-K559 WeakPolarHBondContact OE1-CE 3.34Å; E553-K559 IonicContact OE1-NZ 2.77Å; E553-K559 PolarHBondContact OE1-NZ 3.08Å; E553-K560 WeakPolarHBondContact O-CE 3.34Å; E553-K560 PolarHBondContact O-NZ 2.9Å; E553-K560 VanDerWaalsContact O-NZ 3.12Å; E553-R563 HydrophobicContact CB-CG 4.38Å; E553-R563 HydrophobicContact CG-CB 4.33Å; E553-R563 HydrophobicContact CG-CG 4.26Å
554S81.8Confident91.2Very high90 Ų9069.2 Ų69.263%0.62933%0.333SS*.  trans-82.4127.2173.461.60000110.3R552 K559R552-S554 PolarHBondContact O-N 2.98Å; S554-K559 PolarHBondContact O-NZ 2.99Å
555G81.7Confident91.3Very high45 Ų4571.1 Ų71.146%0.46434%0.342SS..SBendtrans151.3179.2175.800000113.7K560G555-K560 WeakPolarHBondContact O-CE 3.15Å
556N86.3Confident91.2Very high109 Ų10967.4 Ų67.458%0.58333%0.334SS*.  trans-70.4167.1175.268.816.8000111.5K558 K559 K560N556-K558 PolarHBondContact O-N 3Å; N556-K558 VanDerWaalsContact O-N 3.14Å; N556-K558 PolarHBondContact OD1-N 3.17Å; N556-K559 PolarHBondContact O-N 2.69Å; N556-K559 VanDerWaalsContact O-N 3.16Å; N556-K559 PolarHBondContact OD1-N 3.39Å; N556-K560 PolarHBondContact O-N 3.16Å; N556-K560 VanDerWaalsContact O-N 3.13Å
557R89.9Confident91.1Very high120 Ų12068 Ų6845%0.45334%0.337SS..Hα-helixtrans-52.7-36.5-180-173.2179.165.487.54.2113.1K560 T561 L602R557-K560 PolarHBondContact O-N 3.19Å; R557-T561 PolarHBondContact O-N 2.97Å; R557-T561 PolarHBondContact O-OG1 2.87Å; R557-L602 WeakPolarHBondContact CD-O 3.28Å; R557-L602 HydrophobicContact CG-CB 4.1Å; R557-L602 PolarHBondContact NH1-O 3.45Å
558K91.2Very high91Very high140 Ų14068 Ų6861%0.60934%0.337SS*.Hα-helixtrans-62.7-50.1179.8-171-176.6177.3-171.60111.3N556 K560 T561 E562N556-K558 PolarHBondContact O-N 3Å; N556-K558 VanDerWaalsContact O-N 3.14Å; N556-K558 PolarHBondContact OD1-N 3.17Å; K558-K560 VanDerWaalsContact C-N 3.3Å; K558-K560 PolarHBondContact O-N 3.01Å; K558-T561 WeakPolarHBondContact O-CB 3.23Å; K558-T561 PolarHBondContact O-N 3.16Å; K558-T561 VanDerWaalsContact O-N 3.12Å; K558-E562 VanDerWaalsContact CE-OE1 3.25Å; K558-E562 WeakPolarHBondContact CE-OE1 3.29Å; K558-E562 WeakPolarHBondContact O-CG 3.42Å; K558-E562 PolarHBondContact O-N 3.1Å
559K92.4Very high90.9Very high88 Ų8866.2 Ų66.238%0.38334%0.34SS..Hα-helixtrans-61.4-38.7177-168.2-177175.4-1490112.1E553 S554 N556 E562 R563E553-K559 WeakPolarHBondContact OE1-CE 3.34Å; E553-K559 IonicContact OE1-NZ 2.77Å; E553-K559 PolarHBondContact OE1-NZ 3.08Å; S554-K559 PolarHBondContact O-NZ 2.99Å; N556-K559 PolarHBondContact O-N 2.69Å; N556-K559 VanDerWaalsContact O-N 3.16Å; N556-K559 PolarHBondContact OD1-N 3.39Å; K559-E562 PolarHBondContact O-N 3.12Å; K559-R563 WeakPolarHBondContact O-CB 3.24Å; K559-R563 PolarHBondContact O-N 3.43Å
560K93.5Very high90.6Very high25 Ų2566.5 Ų66.511%0.10934%0.336CS..Hα-helixtrans-65-38.7174.4-66.9-169.6179.6-142.50112.5V550 Q551 E553 G555 N556 R557 K558 R563 L564 L602 M608V550-K560 HydrophobicContact CG1-CB 4.22Å; Q551-K560 PolarHBondContact O-NZ 3.47Å; E553-K560 WeakPolarHBondContact O-CE 3.34Å; E553-K560 PolarHBondContact O-NZ 2.9Å; E553-K560 VanDerWaalsContact O-NZ 3.12Å; G555-K560 WeakPolarHBondContact O-CE 3.15Å; N556-K560 PolarHBondContact O-N 3.16Å; N556-K560 VanDerWaalsContact O-N 3.13Å; R557-K560 PolarHBondContact O-N 3.19Å; K558-K560 VanDerWaalsContact C-N 3.3Å; K558-K560 PolarHBondContact O-N 3.01Å; K560-R563 PolarHBondContact O-N 3.15Å; K560-L564 WeakPolarHBondContact O-CB 3.45Å; K560-L564 PolarHBondContact O-N 2.8Å; K560-L602 HydrophobicContact CB-CD1 3.56Å; K560-M608 HydrophobicContact CD-CE 3.62Å; K560-M608 HydrophobicContact CD-SD 3.98Å
561T94.4Very high89.9Confident16 Ų1668.9 Ų68.910%0.09835%0.349CS..Hα-helixtrans-64.6-47.1173.4-59.20000111.3R557 K558 R563 L564 Q565 A600 T601R557-T561 PolarHBondContact O-N 2.97Å; R557-T561 PolarHBondContact O-OG1 2.87Å; K558-T561 WeakPolarHBondContact O-CB 3.23Å; K558-T561 PolarHBondContact O-N 3.16Å; K558-T561 VanDerWaalsContact O-N 3.12Å; T561-R563 VanDerWaalsContact C-N 3.26Å; T561-R563 PolarHBondContact O-N 3.29Å; T561-L564 WeakPolarHBondContact O-CB 3.5Å; T561-L564 PolarHBondContact O-N 2.95Å; T561-L564 VanDerWaalsContact O-N 3.11Å; T561-Q565 HydrophobicContact CG2-CG 4.39Å; T561-Q565 VanDerWaalsContact O-CG 3.31Å; T561-Q565 WeakPolarHBondContact O-CG 3.38Å; T561-Q565 PolarHBondContact O-N 2.79Å; T561-A600 WeakPolarHBondContact CG2-O 3.31Å; T561-T601 HydrophobicContact CG2-CG2 4.47Å
562E93.9Very high88.9Confident98 Ų9874.5 Ų74.546%0.45838%0.375SS..Hα-helixtrans-58.3-40.6176.3-70.6165.2-174.400111.2K558 K559 Q565 A566K558-E562 VanDerWaalsContact CE-OE1 3.25Å; K558-E562 WeakPolarHBondContact CE-OE1 3.29Å; K558-E562 WeakPolarHBondContact O-CG 3.42Å; K558-E562 PolarHBondContact O-N 3.1Å; K559-E562 PolarHBondContact O-N 3.12Å; E562-Q565 PolarHBondContact O-N 3.06Å; E562-A566 WeakPolarHBondContact O-CB 3.46Å; E562-A566 PolarHBondContact O-N 2.98Å
563R93.2Very high87.9Confident106 Ų10672.5 Ų72.540%0.437%0.372SS..Hα-helixtrans-64.1-42.4174.4-17657.6170.31591.1112.7E553 K559 K560 T561 A566 L567E553-R563 HydrophobicContact CB-CG 4.38Å; E553-R563 HydrophobicContact CG-CB 4.33Å; E553-R563 HydrophobicContact CG-CG 4.26Å; K559-R563 WeakPolarHBondContact O-CB 3.24Å; K559-R563 PolarHBondContact O-N 3.43Å; K560-R563 PolarHBondContact O-N 3.15Å; T561-R563 VanDerWaalsContact C-N 3.26Å; T561-R563 PolarHBondContact O-N 3.29Å; R563-A566 PolarHBondContact O-N 3.33Å; R563-L567 HydrophobicContact CG-CD1 4.11Å; R563-L567 WeakPolarHBondContact O-CB 3.41Å; R563-L567 VanDerWaalsContact O-CG 3.31Å; R563-L567 WeakPolarHBondContact O-CG 3.48Å; R563-L567 PolarHBondContact O-N 2.64Å
564L94.3Very high87.2Confident0 Ų071.3 Ų71.30%037%0.368CS..Hα-helixtrans-58.9-49.2175.2170.163.4000110.9L546 M547 V550 K560 T561 L567 L568 A600 L602 A610L546-L564 HydrophobicContact CD2-CD1 3.3Å; L546-L564 HydrophobicContact CG-CD1 4.37Å; M547-L564 HydrophobicContact SD-CD1 4.29Å; V550-L564 HydrophobicContact CG1-CB 4.37Å; V550-L564 HydrophobicContact CG2-CB 3.89Å; V550-L564 HydrophobicContact CG2-CD1 4.1Å; K560-L564 WeakPolarHBondContact O-CB 3.45Å; K560-L564 PolarHBondContact O-N 2.8Å; T561-L564 WeakPolarHBondContact O-CB 3.5Å; T561-L564 PolarHBondContact O-N 2.95Å; T561-L564 VanDerWaalsContact O-N 3.11Å; L564-L567 PolarHBondContact O-N 2.8Å; L564-L568 HydrophobicContact CD1-CD1 3.87Å; L564-L568 HydrophobicContact CD1-CG 4.17Å; L564-L568 HydrophobicContact CG-CD1 4.05Å; L564-L568 WeakPolarHBondContact O-CB 3.4Å; L564-L568 WeakPolarHBondContact O-CG 3.39Å; L564-L568 PolarHBondContact O-N 3.43Å; L564-A600 HydrophobicContact CD2-CB 3.96Å; L564-A600 HydrophobicContact CG-CB 4.15Å; L564-L602 HydrophobicContact CD2-CD2 3.86Å; L564-L602 HydrophobicContact CD2-CG 4.21Å; L564-A610 HydrophobicContact CD2-CB 4.25Å
565Q95.2Very high87.2Confident49 Ų4969.9 Ų69.923%0.22935%0.354CS..Hα-helixtrans-62.2-44.9179.4-64.4178.2-20.300111.4T561 E562 L567 L568 A569 P597 D598 A600T561-Q565 HydrophobicContact CG2-CG 4.39Å; T561-Q565 VanDerWaalsContact O-CG 3.31Å; T561-Q565 WeakPolarHBondContact O-CG 3.38Å; T561-Q565 PolarHBondContact O-N 2.79Å; E562-Q565 PolarHBondContact O-N 3.06Å; Q565-L567 PolarHBondContact O-N 3.3Å; Q565-L568 PolarHBondContact O-N 3.08Å; Q565-A569 WeakPolarHBondContact O-CB 3.17Å; Q565-A569 PolarHBondContact O-N 3.28Å; Q565-P597 WeakPolarHBondContact CG-O 3.5Å; Q565-D598 PolarHBondContact NE2-O 2.75Å; Q565-D598 VanDerWaalsContact NE2-O 3.17Å; Q565-A600 HydrophobicContact CG-CB 4.4Å; Q565-A600 PolarHBondContact NE2-O 3.34Å
566A92.7Very high87.5Confident55 Ų5567.8 Ų67.846%0.45533%0.332SS..Hα-helixtrans-63-40.5177.800000112.9E562 R563 A569 D570E562-A566 WeakPolarHBondContact O-CB 3.46Å; E562-A566 PolarHBondContact O-N 2.98Å; R563-A566 PolarHBondContact O-N 3.33Å; A566-A569 PolarHBondContact O-N 3.49Å; A566-D570 PolarHBondContact O-N 3.15Å
567L92.6Very high87.6Confident20 Ų2064.2 Ų64.211%0.10532%0.315CS..Hα-helixtrans-70.8-34177.1-73.4174.8000112.8L546 A549 V550 R563 L564 Q565 D570 V574L546-L567 HydrophobicContact CD1-CB 4.02Å; L546-L567 HydrophobicContact CG-CB 4.38Å; A549-L567 HydrophobicContact CB-CD1 4Å; V550-L567 HydrophobicContact CG2-CD1 4.1Å; R563-L567 HydrophobicContact CG-CD1 4.11Å; R563-L567 WeakPolarHBondContact O-CB 3.41Å; R563-L567 VanDerWaalsContact O-CG 3.31Å; R563-L567 WeakPolarHBondContact O-CG 3.48Å; R563-L567 PolarHBondContact O-N 2.64Å; L564-L567 PolarHBondContact O-N 2.8Å; Q565-L567 PolarHBondContact O-N 3.3Å; L567-D570 PolarHBondContact O-N 3.23Å; L567-V574 WeakPolarHBondContact O-CG2 3.48Å
568L92.5Very high87.5Confident0 Ų065.1 Ų65.10%032%0.324CS..Hα-helixtrans-67.7-37.4174-77170.4000111.6L546 L564 Q565 D570 L576 C577 I595 P597 A600 L612L546-L568 HydrophobicContact CD1-CD2 3.57Å; L546-L568 HydrophobicContact CD1-CG 3.79Å; L564-L568 HydrophobicContact CD1-CD1 3.87Å; L564-L568 HydrophobicContact CD1-CG 4.17Å; L564-L568 HydrophobicContact CG-CD1 4.05Å; L564-L568 WeakPolarHBondContact O-CB 3.4Å; L564-L568 WeakPolarHBondContact O-CG 3.39Å; L564-L568 PolarHBondContact O-N 3.43Å; Q565-L568 PolarHBondContact O-N 3.08Å; L568-D570 VanDerWaalsContact C-N 3.31Å; L568-L576 HydrophobicContact CD2-CB 4.29Å; L568-L576 HydrophobicContact CD2-CD1 4.32Å; L568-C577 WeakPolarHBondContact O-CB 3.43Å; L568-I595 HydrophobicContact CD1-CG2 4.08Å; L568-I595 HydrophobicContact CD2-CB 4.31Å; L568-I595 HydrophobicContact CD2-CD1 3.99Å; L568-I595 HydrophobicContact CD2-CG2 4.22Å; L568-P597 HydrophobicContact CB-CB 3.83Å; L568-P597 HydrophobicContact CB-CG 4.08Å; L568-A600 HydrophobicContact CD1-CB 3.52Å; L568-L612 HydrophobicContact CD1-CD2 4.19Å
569A90.3Very high87.5Confident59 Ų5959.8 Ų59.849%0.48830%0.302SS..Hα-helixtrans-71.5-23.217800000113.6Q565 A566 N571 P597Q565-A569 WeakPolarHBondContact O-CB 3.17Å; Q565-A569 PolarHBondContact O-N 3.28Å; A566-A569 PolarHBondContact O-N 3.49Å; A569-N571 VanDerWaalsContact C-N 3.34Å; A569-N571 PolarHBondContact O-N 3.31Å; A569-P597 HydrophobicContact CB-CB 4.17Å; A569-P597 HydrophobicContact CB-CG 4.27Å
570D86.8Confident87.5Confident44 Ų4462.2 Ų62.224%0.23532%0.319CS..  trans-7780.7176-171.2-14.6000110.8A566 L567 L568 E572 K573 V574A566-D570 PolarHBondContact O-N 3.15Å; L567-D570 PolarHBondContact O-N 3.23Å; L568-D570 VanDerWaalsContact C-N 3.31Å; D570-E572 PolarHBondContact O-N 3.19Å; D570-E572 PolarHBondContact OD1-N 2.85Å; D570-K573 PolarHBondContact O-N 2.83Å; D570-K573 PolarHBondContact OD1-N 2.85Å; D570-K573 WeakPolarHBondContact OD2-CD 3.33Å; D570-K573 IonicContact OD2-NZ 3.38Å; D570-K573 PolarHBondContact OD2-NZ 2.86Å; D570-V574 PolarHBondContact O-N 3.3Å
571N75.8Confident87.5Confident54 Ų5462.5 Ų62.529%0.28932%0.324SS..THydrogen-bonded Turntrans-70.7-18.5-177.7-148.343000113.2A569 N575 L576 C577 E578A569-N571 VanDerWaalsContact C-N 3.34Å; A569-N571 PolarHBondContact O-N 3.31Å; N571-N575 WeakPolarHBondContact O-CA 3.42Å; N571-N575 PolarHBondContact O-N 3.01Å; N571-N575 VanDerWaalsContact OD1-CA 3.32Å; N571-N575 WeakPolarHBondContact OD1-CA 3.34Å; N571-L576 PolarHBondContact OD1-N 3.43Å; N571-C577 HydrophobicContact CB-CB 4.45Å; N571-C577 PolarHBondContact OD1-N 2.81Å; N571-E578 PolarHBondContact OD1-N 3.46Å
572E69.9Low87.5Confident189 Ų18962.1 Ų62.188%0.88332%0.321SS*.THydrogen-bonded Turntrans-70.5-35.4178.2-67.2-169.8164.400112.2D570D570-E572 PolarHBondContact O-N 3.19Å; D570-E572 PolarHBondContact OD1-N 2.85Å
573K69.4Low87.6Confident168 Ų16858.3 Ų58.373%0.7331%0.305SS*.THydrogen-bonded Turntrans-97.2-36.9-177.4-67.4-176.9-1671440114D570D570-K573 PolarHBondContact O-N 2.83Å; D570-K573 PolarHBondContact OD1-N 2.85Å; D570-K573 WeakPolarHBondContact OD2-CD 3.33Å; D570-K573 IonicContact OD2-NZ 3.38Å; D570-K573 PolarHBondContact OD2-NZ 2.86Å
574V72.6Confident87.8Confident23 Ų2353.2 Ų53.214%0.13929%0.286CS..THydrogen-bonded Turntrans-108.2-30.2-168.4-1750000112.2R542 L546 L567 D570 L576R542-V574 WeakPolarHBondContact CD-O 3.44Å; L546-V574 HydrophobicContact CB-CG1 4.26Å; L546-V574 HydrophobicContact CD1-CG1 3.82Å; L567-V574 WeakPolarHBondContact O-CG2 3.48Å; D570-V574 PolarHBondContact O-N 3.3Å; V574-L576 HydrophobicContact CG1-CB 4.19Å; V574-L576 HydrophobicContact CG1-CD1 3.42Å; V574-L576 VanDerWaalsContact CG1-CD1 3.42Å; V574-L576 HydrophobicContact CG1-CG 3.6Å; V574-L576 PolarHBondContact O-N 3.44Å
575N83.6Confident87.9Confident59 Ų5953.2 Ų53.232%0.31629%0.286SS..  trans48.156.9176.1-171.15.9000112.5R542 N571 E578 I579R542-N575 VanDerWaalsContact NH1-CG 3.29Å; R542-N575 PolarHBondContact NH1-ND2 3.16Å; R542-N575 VanDerWaalsContact NH1-ND2 3.15Å; R542-N575 PolarHBondContact NH1-O 3.46Å; N571-N575 WeakPolarHBondContact O-CA 3.42Å; N571-N575 PolarHBondContact O-N 3.01Å; N571-N575 VanDerWaalsContact OD1-CA 3.32Å; N571-N575 WeakPolarHBondContact OD1-CA 3.34Å; N575-E578 PolarHBondContact OD1-O 2.93Å; N575-E578 VanDerWaalsContact OD1-O 3.11Å; N575-I579 VanDerWaalsContact O-CG2 3.31Å; N575-I579 WeakPolarHBondContact O-CG2 3.47Å
576L87.6Confident88Confident1 Ų151 Ų511%0.00528%0.275CS..  trans-127.2-15.2178.2-67.6-179.9000113.1F539 R542 L543 L546 L568 N571 V574 G594 I595F539-L576 HydrophobicContact CD2-CD2 3.46Å; F539-L576 VanDerWaalsContact CD2-CD2 3.46Å; F539-L576 HydrophobicContact CE2-CD2 3.37Å; F539-L576 HydrophobicContact CG-CD2 4.3Å; F539-L576 HydrophobicContact CZ-CD2 4.11Å; R542-L576 HydrophobicContact CB-CD1 4.42Å; R542-L576 HydrophobicContact CB-CD2 3.88Å; R542-L576 HydrophobicContact CB-CG 4.3Å; L543-L576 HydrophobicContact CB-CD1 4.32Å; L543-L576 HydrophobicContact CD1-CD1 4.17Å; L546-L576 HydrophobicContact CB-CD1 4.5Å; L546-L576 HydrophobicContact CD1-CD1 4.12Å; L568-L576 HydrophobicContact CD2-CB 4.29Å; L568-L576 HydrophobicContact CD2-CD1 4.32Å; N571-L576 PolarHBondContact OD1-N 3.43Å; V574-L576 HydrophobicContact CG1-CB 4.19Å; V574-L576 HydrophobicContact CG1-CD1 3.42Å; V574-L576 VanDerWaalsContact CG1-CD1 3.42Å; V574-L576 HydrophobicContact CG1-CG 3.6Å; V574-L576 PolarHBondContact O-N 3.44Å; L576-G594 WeakPolarHBondContact O-CA 3.27Å; L576-I595 HydrophobicContact CB-CD1 4.37Å; L576-I595 PolarHBondContact O-N 3.32Å
577C88.3Confident88.1Confident35 Ų3550 Ų5024%0.23626%0.261CS..SBendtrans-75.6-42.4179.6-174.30000111.1L568 N571 G594 P597L568-C577 WeakPolarHBondContact O-CB 3.43Å; N571-C577 HydrophobicContact CB-CB 4.45Å; N571-C577 PolarHBondContact OD1-N 2.81Å; C577-G594 WeakPolarHBondContact O-CA 3.34Å; C577-P597 HydrophobicContact CB-CG 4.45Å
578E87.8Confident88.1Confident138 Ų13849.9 Ų49.965%0.64526%0.262SS*.SBendtrans-135.8117176.8-64.3-170.8159.600108.9N571 N575 R593N571-E578 PolarHBondContact OD1-N 3.46Å; N575-E578 PolarHBondContact OD1-O 2.93Å; N575-E578 VanDerWaalsContact OD1-O 3.11Å; E578-R593 WeakPolarHBondContact CA-O 3.09Å
579I91.5Very high88.2Confident28 Ų2854.1 Ų54.114%0.14429%0.292CS..  trans-130.6160.7-178.861.7169.3000110.1F539 N575 I582 R593F539-I579 HydrophobicContact CD2-CD1 3.63Å; F539-I579 HydrophobicContact CE2-CD1 3.76Å; N575-I579 VanDerWaalsContact O-CG2 3.31Å; N575-I579 WeakPolarHBondContact O-CG2 3.47Å; I579-I582 HydrophobicContact CD1-CD1 3.68Å; I579-I582 HydrophobicContact CD1-CG1 3.74Å; I579-R593 VanDerWaalsContact CG1-C 3.42Å; I579-R593 WeakPolarHBondContact CG1-O 3.42Å; I579-R593 PolarHBondContact N-O 3.42Å
580D90.9Very high88.4Confident139 Ų13952.7 Ų52.774%0.74328%0.276SS*.  trans-59.3143.5166.8-70.5-43000110.5I582D580-I582 PolarHBondContact O-N 2.98Å
581P94Very high88.8Confident31 Ų3155.1 Ų55.120%0.20128%0.282CS..  trans-59.3115-175.8-22.630.8000112.8R591 I592 R593P581-R591 PolarHBondContact O-NH2 3.47Å; P581-I592 WeakPolarHBondContact CA-O 3.36Å; P581-R593 HydrophobicContact CB-CG 4.38Å; P581-R593 HydrophobicContact CG-CG 4.02Å
582I95.5Very high89.7Confident8 Ų852.5 Ų52.54%0.04127%0.269CS..EExtended strand (participates in β ladder)trans-117.8149.3174.461.8174.8000110.6Q536 F539 I579 D580 R591 I592Q536-I582 HydrophobicContact CG-CD1 4.42Å; F539-I582 HydrophobicContact CB-CD1 3.69Å; F539-I582 HydrophobicContact CD1-CD1 4.23Å; F539-I582 HydrophobicContact CD2-CD1 4.05Å; F539-I582 HydrophobicContact CG-CD1 3.72Å; I579-I582 HydrophobicContact CD1-CD1 3.68Å; I579-I582 HydrophobicContact CD1-CG1 3.74Å; D580-I582 PolarHBondContact O-N 2.98Å; I582-R591 CarbonylContact O-C 3.48Å; I582-R591 WeakPolarHBondContact O-CA 3.41Å; I582-I592 HydrophobicContact CD1-CD1 4.3Å; I582-I592 HydrophobicContact CG1-CD1 4.09Å; I582-I592 HydrophobicContact CG1-CG1 3.75Å; I582-I592 PolarHBondContact N-O 2.82Å; I582-I592 VanDerWaalsContact N-O 3.12Å; I582-I592 VanDerWaalsContact O-CG1 3.32Å; I582-I592 WeakPolarHBondContact O-CG1 3.38Å; I582-I592 PolarHBondContact O-N 2.95Å
583P96.1Very high90.9Very high18 Ų1849 Ų4912%0.11725%0.247CC..EExtended strand (participates in β ladder)trans-61142.9168.1-17.530.3000110.4L532 Q536L532-P583 HydrophobicContact CD1-CG 4.25Å; Q536-P583 WeakPolarHBondContact CG-O 3.38Å; Q536-P583 PolarHBondContact NE2-O 2.94Å
584L96Very high92Very high0 Ų041.1 Ų41.10%021%0.213CC..EExtended strand (participates in β ladder)trans-72126.7173.517968.7000109.2L586 E587 V590 I592 F614 Y622 V624L584-L586 VanDerWaalsContact C-N 3.26Å; L584-L586 HydrophobicContact CD2-CB 4.19Å; L584-L586 HydrophobicContact CG-CB 4.16Å; L584-L586 PolarHBondContact O-N 3.19Å; L584-E587 HydrophobicContact CD2-CB 4.43Å; L584-E587 CarbonylContact O-C 3.44Å; L584-E587 PolarHBondContact O-N 2.82Å; L584-E587 VanDerWaalsContact O-N 3.07Å; L584-V590 PolarHBondContact N-O 2.95Å; L584-I592 HydrophobicContact CB-CG2 4.09Å; L584-I592 HydrophobicContact CD1-CD1 4Å; L584-I592 HydrophobicContact CD1-CG2 4.37Å; L584-F614 HydrophobicContact CD1-CD1 4.33Å; L584-F614 HydrophobicContact CD1-CE1 4.16Å; L584-F614 HydrophobicContact CD1-CZ 4.32Å; L584-Y622 HydrophobicContact CD2-CD1 3.63Å; L584-Y622 HydrophobicContact CD2-CE1 3.56Å; L584-V624 HydrophobicContact CD2-CG2 4.19Å
585P96.6Very high93.1Very high0 Ų040 Ų400%021%0.207CC..THydrogen-bonded Turntrans-51.4-44.1179.5-32.638.5000113.8N482 W486 Q536 V540 E587 L664 F672N482-P585 PolarHBondContact ND2-O 2.91Å; W486-P585 HydrophobicContact CZ2-CB 4.13Å; W486-P585 HydrophobicContact CZ2-CG 4Å; Q536-P585 HydrophobicContact CB-CG 4.34Å; Q536-P585 HydrophobicContact CG-CG 4.27Å; V540-P585 HydrophobicContact CG2-CG 4.21Å; P585-E587 VanDerWaalsContact C-N 3.35Å; P585-E587 PolarHBondContact O-N 2.96Å; P585-L664 HydrophobicContact CB-CD2 3.8Å; P585-L664 WeakPolarHBondContact O-CD2 3.47Å; P585-F672 HydrophobicContact CB-CD2 4.44Å; P585-F672 HydrophobicContact CB-CE2 4.33Å; P585-F672 HydrophobicContact CG-CE2 4.37Å
586L96.6Very high93.7Very high1 Ų139 Ų391%0.00520%0.202CC..THydrogen-bonded Turntrans-63.3-37.3-179.7-17766.4000113.2Y483 L584 V624 K662 L664 F672 Q674Y483-L586 PolarHBondContact OH-O 3.34Å; L584-L586 VanDerWaalsContact C-N 3.26Å; L584-L586 HydrophobicContact CD2-CB 4.19Å; L584-L586 HydrophobicContact CG-CB 4.16Å; L584-L586 PolarHBondContact O-N 3.19Å; L586-V624 HydrophobicContact CD2-CG1 4.03Å; L586-V624 HydrophobicContact CD2-CG2 4.42Å; L586-K662 HydrophobicContact CD1-CB 3.76Å; L586-K662 HydrophobicContact CD2-CB 4.47Å; L586-K662 HydrophobicContact CG-CB 4.03Å; L586-L664 HydrophobicContact CD1-CB 3.85Å; L586-F672 HydrophobicContact CB-CB 4.04Å; L586-F672 HydrophobicContact CD1-CB 4.11Å; L586-F672 HydrophobicContact CD2-CB 4.26Å; L586-F672 HydrophobicContact CG-CB 4.37Å; L586-Q674 HydrophobicContact CD2-CB 4.19Å
587E95Very high93.9Very high34 Ų3439.7 Ų39.716%0.15921%0.207CC..EExtended strand (participates in β ladder)trans-145.592.7-176.1-177.9163.4-148.900110.5L584 P585 S589 V590 Y622 K662L584-E587 HydrophobicContact CD2-CB 4.43Å; L584-E587 CarbonylContact O-C 3.44Å; L584-E587 PolarHBondContact O-N 2.82Å; L584-E587 VanDerWaalsContact O-N 3.07Å; P585-E587 VanDerWaalsContact C-N 3.35Å; P585-E587 PolarHBondContact O-N 2.96Å; E587-S589 VanDerWaalsContact CG-OG 3.22Å; E587-S589 WeakPolarHBondContact CG-OG 3.46Å; E587-S589 PolarHBondContact O-N 3.4Å; E587-S589 VanDerWaalsContact O-N 3.1Å; E587-V590 HydrophobicContact CG-CG2 4.02Å; E587-V590 PolarHBondContact O-N 3.21Å; E587-Y622 WeakPolarHBondContact OE2-CE2 3.44Å; E587-Y622 PolarHBondContact OE2-OH 3.36Å; E587-K662 HydrophobicContact CB-CD 4.31Å; E587-K662 IonicContact OE1-NZ 3.76Å; E587-K662 PolarHBondContact OE1-NZ 3.21Å; E587-K662 IonicContact OE2-NZ 2.63Å
588P94.1Very high94.2Very high18 Ų1844.4 Ų44.412%0.11723%0.23CC..EExtended strand (participates in β ladder)trans-64.5-17.4-171.8-27.537.8000115.4T479 N482 Y483 V590T479-P588 HydrophobicContact CG2-CG 4.29Å; N482-P588 HydrophobicContact CB-CB 4.22Å; N482-P588 HydrophobicContact CB-CG 3.59Å; N482-P588 VanDerWaalsContact ND2-CG 3.31Å; N482-P588 WeakPolarHBondContact ND2-CG 3.18Å; Y483-P588 HydrophobicContact CE2-CG 4.27Å; Y483-P588 WeakPolarHBondContact OH-CD 3.11Å; P588-V590 PolarHBondContact O-N 3.09Å
589S93.1Very high94.5Very high90 Ų9040.2 Ų40.263%0.62921%0.214SC*.EExtended strand (participates in β ladder)trans-69-21.3173.7520000112.7E587E587-S589 VanDerWaalsContact CG-OG 3.22Å; E587-S589 WeakPolarHBondContact CG-OG 3.46Å; E587-S589 PolarHBondContact O-N 3.4Å; E587-S589 VanDerWaalsContact O-N 3.1Å
590V94.7Very high94.7Very high28 Ų2838.9 Ų38.917%0.1721%0.207CC..EExtended strand (participates in β ladder)trans-97.2120.8177.9-177.50000109.6L584 E587 P588 I592 A616 Y622L584-V590 PolarHBondContact N-O 2.95Å; E587-V590 HydrophobicContact CG-CG2 4.02Å; E587-V590 PolarHBondContact O-N 3.21Å; P588-V590 PolarHBondContact O-N 3.09Å; V590-I592 HydrophobicContact CG1-CG2 4.3Å; V590-A616 HydrophobicContact CG1-CB 4.11Å; V590-Y622 HydrophobicContact CG1-CG 4.49Å; V590-Y622 HydrophobicContact CG2-CD2 4.3Å; V590-Y622 HydrophobicContact CG2-CE2 4.23Å
591R95.3Very high94.9Very high95 Ų9535 Ų3536%0.35819%0.188SC..EExtended strand (participates in β ladder)trans-96.2126.6174.5-63.317664.880.55.8109.8P581 I582 A616 E617P581-R591 PolarHBondContact O-NH2 3.47Å; I582-R591 CarbonylContact O-C 3.48Å; I582-R591 WeakPolarHBondContact O-CA 3.41Å; R591-A616 CarbonylContact O-C 3.42Å; R591-A616 WeakPolarHBondContact O-CA 3.36Å; R591-E617 HydrophobicContact CB-CB 4.13Å; R591-E617 WeakPolarHBondContact CD-OE2 3.39Å; R591-E617 IonicContact CZ-OE2 3.94Å; R591-E617 IonicContact NE-OE2 2.89Å; R591-E617 PolarHBondContact NE-OE2 3.31Å; R591-E617 PolarHBondContact O-N 2.88Å
592I95.7Very high94.9Very high0 Ų033.8 Ų33.80%018%0.18CC..EExtended strand (participates in β ladder)trans-108.6144.8-175.157.4164000111.6F539 P581 I582 L584 V590 F614F539-I592 HydrophobicContact CE1-CD1 4.3Å; F539-I592 HydrophobicContact CZ-CD1 4.22Å; P581-I592 WeakPolarHBondContact CA-O 3.36Å; I582-I592 HydrophobicContact CD1-CD1 4.3Å; I582-I592 HydrophobicContact CG1-CD1 4.09Å; I582-I592 HydrophobicContact CG1-CG1 3.75Å; I582-I592 PolarHBondContact N-O 2.82Å; I582-I592 VanDerWaalsContact N-O 3.12Å; I582-I592 VanDerWaalsContact O-CG1 3.32Å; I582-I592 WeakPolarHBondContact O-CG1 3.38Å; I582-I592 PolarHBondContact O-N 2.95Å; L584-I592 HydrophobicContact CB-CG2 4.09Å; L584-I592 HydrophobicContact CD1-CD1 4Å; L584-I592 HydrophobicContact CD1-CG2 4.37Å; V590-I592 HydrophobicContact CG1-CG2 4.3Å; I592-F614 HydrophobicContact CB-CD1 4.18Å; I592-F614 HydrophobicContact CD1-CD1 3.49Å; I592-F614 VanDerWaalsContact CD1-CD1 3.49Å; I592-F614 HydrophobicContact CD1-CE1 3.61Å; I592-F614 HydrophobicContact CG1-CD1 4.43Å; I592-F614 HydrophobicContact CG2-CB 3.82Å; I592-F614 HydrophobicContact CG2-CD1 4.02Å; I592-F614 HydrophobicContact CG2-CG 4.25Å
593R94.2Very high94.8Very high116 Ų11636.6 Ų36.644%0.43819%0.192SC..EExtended strand (participates in β ladder)trans-110.1-2.3175.8-72.4-169.1177.3-168.10.3114E578 I579 P581 K615 E617E578-R593 WeakPolarHBondContact CA-O 3.09Å; I579-R593 VanDerWaalsContact CG1-C 3.42Å; I579-R593 WeakPolarHBondContact CG1-O 3.42Å; I579-R593 PolarHBondContact N-O 3.42Å; P581-R593 HydrophobicContact CB-CG 4.38Å; P581-R593 HydrophobicContact CG-CG 4.02Å; R593-K615 PolarHBondContact N-O 2.88Å; R593-E617 IonicContact CZ-OE1 3.78Å; R593-E617 IonicContact NE-OE1 2.8Å; R593-E617 IonicContact NH2-OE1 2.92Å; R593-E617 PolarHBondContact NH2-OE1 3.44Å
594G93.6Very high94.2Very high1 Ų145.3 Ų45.31%0.0123%0.228CC..EExtended strand (participates in β ladder)trans148-174.617700000113.1L576 C577 F614 K615L576-G594 WeakPolarHBondContact O-CA 3.27Å; C577-G594 WeakPolarHBondContact O-CA 3.34Å; G594-F614 WeakPolarHBondContact O-CA 3.45Å; G594-K615 PolarHBondContact O-N 3.08Å
595I95.4Very high93.6Very high1 Ų148.6 Ų48.61%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-110.3134.8-177.8-57.5170.3000109.3F539 L543 L568 L576 P597 L612 F614F539-I595 HydrophobicContact CZ-CD1 3.99Å; F539-I595 HydrophobicContact CZ-CG1 4.28Å; L543-I595 HydrophobicContact CD1-CD1 4.19Å; L568-I595 HydrophobicContact CD1-CG2 4.08Å; L568-I595 HydrophobicContact CD2-CB 4.31Å; L568-I595 HydrophobicContact CD2-CD1 3.99Å; L568-I595 HydrophobicContact CD2-CG2 4.22Å; L576-I595 HydrophobicContact CB-CD1 4.37Å; L576-I595 PolarHBondContact O-N 3.32Å; I595-P597 WeakPolarHBondContact O-CD 3.23Å; I595-L612 HydrophobicContact CD1-CD1 4.25Å; I595-L612 HydrophobicContact CG2-CB 4.2Å; I595-L612 HydrophobicContact CG2-CD2 4.28Å; I595-F614 HydrophobicContact CD1-CE1 4.22Å; I595-F614 HydrophobicContact CD1-CZ 4.27Å; I595-F614 HydrophobicContact CG1-CD1 4Å; I595-F614 HydrophobicContact CG1-CE1 3.76Å; I595-F614 HydrophobicContact CG1-CZ 4.13Å
596V95Very high92.9Very high36 Ų3653.2 Ų53.222%0.21829%0.289CS..  trans-79.5108.1176.4-174.70000110.2D598 T599 I613 K615 M621V596-D598 PolarHBondContact O-N 2.97Å; V596-T599 HydrophobicContact CB-CG2 4.28Å; V596-T599 HydrophobicContact CG1-CG2 3.73Å; V596-T599 PolarHBondContact O-N 2.96Å; V596-T599 PolarHBondContact O-OG1 3.16Å; V596-I613 PolarHBondContact N-O 2.94Å; V596-K615 HydrophobicContact CG2-CB 4.36Å; V596-M621 HydrophobicContact CG2-CE 4.2Å; V596-M621 HydrophobicContact CG2-SD 3.91Å
597P93.5Very high92.4Very high16 Ų1656.9 Ų56.910%0.10431%0.308CS..G310 helixtrans-60.7-49.4-169.4-25.336.6000113.5Q565 L568 A569 C577 I595 T599 A600Q565-P597 WeakPolarHBondContact CG-O 3.5Å; L568-P597 HydrophobicContact CB-CB 3.83Å; L568-P597 HydrophobicContact CB-CG 4.08Å; A569-P597 HydrophobicContact CB-CB 4.17Å; A569-P597 HydrophobicContact CB-CG 4.27Å; C577-P597 HydrophobicContact CB-CG 4.45Å; I595-P597 WeakPolarHBondContact O-CD 3.23Å; P597-T599 PolarHBondContact O-N 3.14Å; P597-A600 VanDerWaalsContact O-CB 3.26Å; P597-A600 WeakPolarHBondContact O-CB 3.45Å; P597-A600 PolarHBondContact O-N 3.09Å
598D93.5Very high92.1Very high134 Ų13457.4 Ų57.472%0.71731%0.312SS*.G310 helixtrans-62.9-20.8-172.5-60.2-28.5000114.1Q565 V596Q565-D598 PolarHBondContact NE2-O 2.75Å; Q565-D598 VanDerWaalsContact NE2-O 3.17Å; V596-D598 PolarHBondContact O-N 2.97Å
599T94.1Very high92.1Very high51 Ų5157.2 Ų57.231%0.31331%0.31SS..G310 helixtrans-90.4-12.6-179.568.80000113.3V596 P597 T601 I613V596-T599 HydrophobicContact CB-CG2 4.28Å; V596-T599 HydrophobicContact CG1-CG2 3.73Å; V596-T599 PolarHBondContact O-N 2.96Å; V596-T599 PolarHBondContact O-OG1 3.16Å; P597-T599 PolarHBondContact O-N 3.14Å; T599-T601 PolarHBondContact O-N 2.86Å; T599-I613 HydrophobicContact CG2-CD1 4.09Å; T599-I613 WeakPolarHBondContact OG1-CB 3.42Å; T599-I613 WeakPolarHBondContact OG1-CG1 2.77Å
600A95.3Very high92.3Very high0 Ų052.9 Ų52.90%028%0.28CS..  trans-66.4129.8-177.600000110.5T561 L564 Q565 L568 P597 K611 L612T561-A600 WeakPolarHBondContact CG2-O 3.31Å; L564-A600 HydrophobicContact CD2-CB 3.96Å; L564-A600 HydrophobicContact CG-CB 4.15Å; Q565-A600 HydrophobicContact CG-CB 4.4Å; Q565-A600 PolarHBondContact NE2-O 3.34Å; L568-A600 HydrophobicContact CD1-CB 3.52Å; P597-A600 VanDerWaalsContact O-CB 3.26Å; P597-A600 WeakPolarHBondContact O-CB 3.45Å; P597-A600 PolarHBondContact O-N 3.09Å; A600-K611 WeakPolarHBondContact CA-O 3.43Å; A600-L612 HydrophobicContact CB-CD2 3.97Å
601T96.1Very high92.4Very high58 Ų5853.6 Ų53.636%0.35628%0.281SS..EExtended strand (participates in β ladder)trans-141.3152.1-177.950.90000111.6T561 T599 K611T561-T601 HydrophobicContact CG2-CG2 4.47Å; T599-T601 PolarHBondContact O-N 2.86Å; T601-K611 PolarHBondContact N-O 2.84Å; T601-K611 PolarHBondContact O-N 3.41Å
602L94.6Very high92.5Very high5 Ų549 Ų493%0.02626%0.264CS..EExtended strand (participates in β ladder)trans-101.3134.1175.5-61.6175.2000111M547 V550 R557 K560 L564 A610M547-L602 HydrophobicContact CE-CD2 4.31Å; V550-L602 HydrophobicContact CG1-CD1 4.12Å; R557-L602 WeakPolarHBondContact CD-O 3.28Å; R557-L602 HydrophobicContact CG-CB 4.1Å; R557-L602 PolarHBondContact NH1-O 3.45Å; K560-L602 HydrophobicContact CB-CD1 3.56Å; L564-L602 HydrophobicContact CD2-CD2 3.86Å; L564-L602 HydrophobicContact CD2-CG 4.21Å; L602-A610 HydrophobicContact CD2-CB 3.92Å
603F91.6Very high92.5Very high67 Ų6750.7 Ų50.729%0.29427%0.272SS..  trans-69.8155.6174.9-74.7-83.8000112.2S605 P609 K611 I625 F675F603-S605 VanDerWaalsContact C-N 3.29Å; F603-S605 PolarHBondContact O-N 3.35Å; F603-P609 HydrophobicContact CB-CG 3.97Å; F603-P609 HydrophobicContact CD2-CG 4.02Å; F603-P609 WeakPolarHBondContact CD2-O 3.45Å; F603-P609 HydrophobicContact CG-CG 4.36Å; F603-P609 PolarHBondContact N-O 3.18Å; F603-K611 HydrophobicContact CD2-CB 4.44Å; F603-K611 HydrophobicContact CE2-CB 3.69Å; F603-K611 HydrophobicContact CZ-CB 4.11Å; F603-K611 HydrophobicContact CZ-CD 4.4Å; F603-I625 HydrophobicContact CD2-CG2 4.35Å; F603-I625 HydrophobicContact CE2-CB 4.45Å; F603-I625 HydrophobicContact CE2-CD1 3.87Å; F603-I625 HydrophobicContact CE2-CG1 3.84Å; F603-I625 HydrophobicContact CE2-CG2 3.93Å; F603-I625 HydrophobicContact CZ-CD1 3.86Å; F603-I625 HydrophobicContact CZ-CG1 4.14Å; F603-F675 HydrophobicContact CE1-CE2 4.28Å; F603-F675 AromaticContact CZ-CD2 3.95Å; F603-F675 HydrophobicContact CZ-CD2 3.95Å; F603-F675 AromaticContact CZ-CE2 3.79Å; F603-F675 HydrophobicContact CZ-CE2 3.79Å
604K85.3Confident92.6Very high201 Ų20145.2 Ų45.287%0.87425%0.251SS*.SBendtrans-82.273.3173.6-171.2-171.5175.3-170.80109.7
605S83.3Confident92.7Very high68 Ų6850 Ų5048%0.47627%0.272SS..SBendtrans-139.5161.8177.1172.50000110.2F603 L607 M608F603-S605 VanDerWaalsContact C-N 3.29Å; F603-S605 PolarHBondContact O-N 3.35Å; S605-L607 VanDerWaalsContact C-N 3.31Å; S605-L607 PolarHBondContact O-N 3.42Å; S605-M608 WeakPolarHBondContact O-CG 3.39Å; S605-M608 PolarHBondContact O-N 2.78Å
606A81.4Confident92.6Very high98 Ų9850.3 Ų50.381%0.8127%0.274SS*.THydrogen-bonded Turntrans-55.8-43.3-178.100000112.7M608A606-M608 VanDerWaalsContact C-N 3.34Å
607L85.1Confident92.5Very high77 Ų7752.3 Ų52.340%0.40328%0.281SS..THydrogen-bonded Turntrans-87.4-2.2178.8-62.1179000113.7S605 D630S605-L607 VanDerWaalsContact C-N 3.31Å; S605-L607 PolarHBondContact O-N 3.42Å; L607-D630 HydrophobicContact CD1-CB 3.79Å
608M90.4Very high92.3Very high46 Ų4657.9 Ų57.923%0.22731%0.31CS..  trans41.864.4179.6-65.6-178.3-69.500113.6K560 S605 A606K560-M608 HydrophobicContact CD-CE 3.62Å; K560-M608 HydrophobicContact CD-SD 3.98Å; S605-M608 WeakPolarHBondContact O-CG 3.39Å; S605-M608 PolarHBondContact O-N 2.78Å; A606-M608 VanDerWaalsContact C-N 3.34Å
609P93.9Very high92.1Very high13 Ų1353.5 Ų53.58%0.08430%0.297CS..PPolyproline II helixtrans-64.7152.8177.728.3-32.9000111.7F603 I625 K627F603-P609 HydrophobicContact CB-CG 3.97Å; F603-P609 HydrophobicContact CD2-CG 4.02Å; F603-P609 WeakPolarHBondContact CD2-O 3.45Å; F603-P609 HydrophobicContact CG-CG 4.36Å; F603-P609 PolarHBondContact N-O 3.18Å; P609-I625 HydrophobicContact CB-CG2 4.01Å; P609-K627 HydrophobicContact CB-CB 4.45Å; P609-K627 HydrophobicContact CB-CG 3.72Å; P609-K627 HydrophobicContact CG-CG 4.47Å
610A96.5Very high92Very high0 Ų053.4 Ų53.40%030%0.301CS..EExtended strand (participates in β ladder)trans-96.9127.2-175.500000111M547 L564 L602 L612 I625 F626M547-A610 HydrophobicContact CE-CB 3.86Å; M547-A610 HydrophobicContact SD-CB 3.89Å; L564-A610 HydrophobicContact CD2-CB 4.25Å; L602-A610 HydrophobicContact CD2-CB 3.92Å; A610-L612 HydrophobicContact CB-CD2 4.09Å; A610-L612 HydrophobicContact CB-CG 4.16Å; A610-I625 CarbonylContact O-C 3.55Å; A610-I625 WeakPolarHBondContact O-CA 3.43Å; A610-F626 PolarHBondContact N-O 3.44Å; A610-F626 PolarHBondContact O-N 2.99Å
611K97.1Very high92Very high42 Ų4258.6 Ų58.618%0.18333%0.327CS..EExtended strand (participates in β ladder)trans-86.3118.1163.1-176.8-179.8176.3177.90108.2A600 T601 F603 F675A600-K611 WeakPolarHBondContact CA-O 3.43Å; T601-K611 PolarHBondContact N-O 2.84Å; T601-K611 PolarHBondContact O-N 3.41Å; F603-K611 HydrophobicContact CD2-CB 4.44Å; F603-K611 HydrophobicContact CE2-CB 3.69Å; F603-K611 HydrophobicContact CZ-CB 4.11Å; F603-K611 HydrophobicContact CZ-CD 4.4Å; K611-F675 HydrophobicContact CD-CD2 4.16Å; K611-F675 HydrophobicContact CD-CE2 4.02Å; K611-F675 HydrophobicContact CD-CZ 4.31Å; K611-F675 HydrophobicContact CG-CD2 4.45Å; K611-F675 VanDerWaalsContact NZ-CE1 3.35Å; K611-F675 VanDerWaalsContact NZ-CZ 3.28Å
612L96.9Very high92Very high0 Ų057.5 Ų57.50%032%0.316CS..EExtended strand (participates in β ladder)trans-120.3135.8-177.9-56.2173.7000108.7L543 L568 I595 A600 A610 F614 P623 V624 F626L543-L612 HydrophobicContact CD1-CD1 3.85Å; L543-L612 HydrophobicContact CD2-CD1 4.13Å; L568-L612 HydrophobicContact CD1-CD2 4.19Å; I595-L612 HydrophobicContact CD1-CD1 4.25Å; I595-L612 HydrophobicContact CG2-CB 4.2Å; I595-L612 HydrophobicContact CG2-CD2 4.28Å; A600-L612 HydrophobicContact CB-CD2 3.97Å; A610-L612 HydrophobicContact CB-CD2 4.09Å; A610-L612 HydrophobicContact CB-CG 4.16Å; L612-F614 HydrophobicContact CB-CD2 4.45Å; L612-F614 HydrophobicContact CB-CE2 3.88Å; L612-P623 WeakPolarHBondContact O-CA 3.44Å; L612-V624 PolarHBondContact N-O 2.85Å; L612-V624 PolarHBondContact O-N 3.26Å; L612-F626 HydrophobicContact CD1-CB 3.94Å
613I96.6Very high92Very high35 Ų3559.1 Ų59.118%0.17933%0.327CS..EExtended strand (participates in β ladder)trans-104.8118.1173-54.2-171.3000108.2V596 T599 M621 P623V596-I613 PolarHBondContact N-O 2.94Å; T599-I613 HydrophobicContact CG2-CD1 4.09Å; T599-I613 WeakPolarHBondContact OG1-CB 3.42Å; T599-I613 WeakPolarHBondContact OG1-CG1 2.77Å; I613-M621 HydrophobicContact CG2-CB 3.75Å; I613-M621 HydrophobicContact CG2-CG 4.3Å; I613-M621 HydrophobicContact CG2-SD 3.97Å; I613-P623 HydrophobicContact CG1-CB 4.48Å
614F95.9Very high92.3Very high0 Ų055.9 Ų55.90%031%0.313CS..EExtended strand (participates in β ladder)trans-89.2137.1177.8-70.9-98.4000110.2F539 L584 I592 G594 I595 L612 M621 Y622 V624 F672F539-F614 AromaticContact CE1-CE1 3.88Å; F539-F614 HydrophobicContact CE1-CE1 3.88Å; F539-F614 HydrophobicContact CE1-CZ 4.35Å; F539-F614 AromaticContact CZ-CE1 3.56Å; F539-F614 HydrophobicContact CZ-CE1 3.56Å; F539-F614 HydrophobicContact CZ-CZ 4.26Å; L584-F614 HydrophobicContact CD1-CD1 4.33Å; L584-F614 HydrophobicContact CD1-CE1 4.16Å; L584-F614 HydrophobicContact CD1-CZ 4.32Å; I592-F614 HydrophobicContact CB-CD1 4.18Å; I592-F614 HydrophobicContact CD1-CD1 3.49Å; I592-F614 VanDerWaalsContact CD1-CD1 3.49Å; I592-F614 HydrophobicContact CD1-CE1 3.61Å; I592-F614 HydrophobicContact CG1-CD1 4.43Å; I592-F614 HydrophobicContact CG2-CB 3.82Å; I592-F614 HydrophobicContact CG2-CD1 4.02Å; I592-F614 HydrophobicContact CG2-CG 4.25Å; G594-F614 WeakPolarHBondContact O-CA 3.45Å; I595-F614 HydrophobicContact CD1-CE1 4.22Å; I595-F614 HydrophobicContact CD1-CZ 4.27Å; I595-F614 HydrophobicContact CG1-CD1 4Å; I595-F614 HydrophobicContact CG1-CE1 3.76Å; I595-F614 HydrophobicContact CG1-CZ 4.13Å; L612-F614 HydrophobicContact CB-CD2 4.45Å; L612-F614 HydrophobicContact CB-CE2 3.88Å; F614-M621 WeakPolarHBondContact O-CA 3.41Å; F614-Y622 PolarHBondContact N-O 2.98Å; F614-Y622 PolarHBondContact O-N 3.33Å; F614-V624 HydrophobicContact CD2-CB 3.98Å; F614-V624 HydrophobicContact CD2-CG2 3.74Å; F614-V624 HydrophobicContact CE2-CB 3.73Å; F614-V624 HydrophobicContact CE2-CG1 4.35Å; F614-V624 HydrophobicContact CE2-CG2 3.9Å; F614-F672 HydrophobicContact CZ-CE1 4.31Å
615K95Very high92.9Very high103 Ų10347.6 Ų47.645%0.44828%0.278SS..EExtended strand (participates in β ladder)trans-88.6113.8170.8-173.9178.1179.9-178.50108.6R593 G594 V596 M621R593-K615 PolarHBondContact N-O 2.88Å; G594-K615 PolarHBondContact O-N 3.08Å; V596-K615 HydrophobicContact CG2-CB 4.36Å; K615-M621 HydrophobicContact CB-SD 4.44Å; K615-M621 HydrophobicContact CG-CE 4.48Å
616A94.1Very high93.6Very high6 Ų644.3 Ų44.35%0.0526%0.255CS..EExtended strand (participates in β ladder)trans-75.3161.9175.500000111.5V590 R591 D618 G619 A620V590-A616 HydrophobicContact CG1-CB 4.11Å; R591-A616 CarbonylContact O-C 3.42Å; R591-A616 WeakPolarHBondContact O-CA 3.36Å; A616-D618 VanDerWaalsContact C-N 3.27Å; A616-D618 WeakPolarHBondContact CB-OD1 3.34Å; A616-D618 PolarHBondContact O-N 3.36Å; A616-G619 PolarHBondContact O-N 3.02Å; A616-A620 HydrophobicContact CB-CB 4.17Å; A616-A620 VanDerWaalsContact CB-O 3.32Å; A616-A620 WeakPolarHBondContact CB-O 3.46Å; A616-A620 PolarHBondContact N-O 3.41Å
617E91.9Very high94.2Very high78 Ų7841.2 Ų41.236%0.36422%0.223SC..THydrogen-bonded Turntrans-62.7-32.9179.6174.2152.2-131.400113R591 R593 G619R591-E617 HydrophobicContact CB-CB 4.13Å; R591-E617 WeakPolarHBondContact CD-OE2 3.39Å; R591-E617 IonicContact CZ-OE2 3.94Å; R591-E617 IonicContact NE-OE2 2.89Å; R591-E617 PolarHBondContact NE-OE2 3.31Å; R591-E617 PolarHBondContact O-N 2.88Å; R593-E617 IonicContact CZ-OE1 3.78Å; R593-E617 IonicContact NE-OE1 2.8Å; R593-E617 IonicContact NH2-OE1 2.92Å; R593-E617 PolarHBondContact NH2-OE1 3.44Å; E617-G619 PolarHBondContact O-N 3.46Å
618D90.6Very high94.7Very high134 Ų13438.5 Ų38.572%0.71721%0.208SC*.THydrogen-bonded Turntrans-78.8-0.9174.263.5-1.1000113.6A616 A620A616-D618 VanDerWaalsContact C-N 3.27Å; A616-D618 WeakPolarHBondContact CB-OD1 3.34Å; A616-D618 PolarHBondContact O-N 3.36Å; D618-A620 WeakPolarHBondContact OD1-CB 3.22Å; D618-A620 PolarHBondContact OD1-N 3.25Å
619G88.7Confident94.6Very high42 Ų4238.4 Ų38.443%0.43322%0.219SC..SBendtrans86.9-2.1-176.800000114.7A616 E617A616-G619 PolarHBondContact O-N 3.02Å; E617-G619 PolarHBondContact O-N 3.46Å
620A92.9Very high94.3Very high48 Ų4840.2 Ų40.240%0.39723%0.228SC..  trans-66.1150.4174.700000111.5A616 D618A616-A620 HydrophobicContact CB-CB 4.17Å; A616-A620 VanDerWaalsContact CB-O 3.32Å; A616-A620 WeakPolarHBondContact CB-O 3.46Å; A616-A620 PolarHBondContact N-O 3.41Å; D618-A620 WeakPolarHBondContact OD1-CB 3.22Å; D618-A620 PolarHBondContact OD1-N 3.25Å
621M94.4Very high94Very high109 Ų10941.7 Ų41.754%0.53724%0.236SC..EExtended strand (participates in β ladder)trans-103.3120.7178-67-64.1178.400109.3V596 I613 F614 K615V596-M621 HydrophobicContact CG2-CE 4.2Å; V596-M621 HydrophobicContact CG2-SD 3.91Å; I613-M621 HydrophobicContact CG2-CB 3.75Å; I613-M621 HydrophobicContact CG2-CG 4.3Å; I613-M621 HydrophobicContact CG2-SD 3.97Å; F614-M621 WeakPolarHBondContact O-CA 3.41Å; K615-M621 HydrophobicContact CB-SD 4.44Å; K615-M621 HydrophobicContact CG-CE 4.48Å
622Y95.3Very high93.8Very high35 Ų3539.7 Ų39.714%0.13723%0.227CC..EExtended strand (participates in β ladder)trans-115.5104.6-174.2-163.6-90.1000110.7L584 E587 V590 F614 V624L584-Y622 HydrophobicContact CD2-CD1 3.63Å; L584-Y622 HydrophobicContact CD2-CE1 3.56Å; E587-Y622 WeakPolarHBondContact OE2-CE2 3.44Å; E587-Y622 PolarHBondContact OE2-OH 3.36Å; V590-Y622 HydrophobicContact CG1-CG 4.49Å; V590-Y622 HydrophobicContact CG2-CD2 4.3Å; V590-Y622 HydrophobicContact CG2-CE2 4.23Å; F614-Y622 PolarHBondContact N-O 2.98Å; F614-Y622 PolarHBondContact O-N 3.33Å; Y622-V624 HydrophobicContact CD1-CG2 3.45Å; Y622-V624 VanDerWaalsContact CD1-CG2 3.45Å; Y622-V624 HydrophobicContact CE1-CG2 3.59Å
623P96.2Very high93.6Very high39 Ų3940.4 Ų40.425%0.25323%0.23SC..EExtended strand (participates in β ladder)trans-80.5132.4-177.933.2-34.8000111.5L612 I613 F675L612-P623 WeakPolarHBondContact O-CA 3.44Å; I613-P623 HydrophobicContact CG1-CB 4.48Å; P623-F675 HydrophobicContact CB-CB 3.94Å; P623-F675 HydrophobicContact CB-CD1 3.92Å; P623-F675 HydrophobicContact CB-CG 4.22Å; P623-F675 HydrophobicContact CG-CB 4.24Å; P623-F675 HydrophobicContact CG-CD1 4.01Å; P623-F675 WeakPolarHBondContact O-CB 3.16Å; P623-F675 PolarHBondContact O-N 2.88Å
624V97.3Very high93.4Very high0 Ų039.1 Ų39.10%022%0.223CC..EExtended strand (participates in β ladder)trans-137.3146.4-178.3-178.30000109.5L584 L586 L612 F614 Y622 F672 M673L584-V624 HydrophobicContact CD2-CG2 4.19Å; L586-V624 HydrophobicContact CD2-CG1 4.03Å; L586-V624 HydrophobicContact CD2-CG2 4.42Å; L612-V624 PolarHBondContact N-O 2.85Å; L612-V624 PolarHBondContact O-N 3.26Å; F614-V624 HydrophobicContact CD2-CB 3.98Å; F614-V624 HydrophobicContact CD2-CG2 3.74Å; F614-V624 HydrophobicContact CE2-CB 3.73Å; F614-V624 HydrophobicContact CE2-CG1 4.35Å; F614-V624 HydrophobicContact CE2-CG2 3.9Å; Y622-V624 HydrophobicContact CD1-CG2 3.45Å; Y622-V624 VanDerWaalsContact CD1-CG2 3.45Å; Y622-V624 HydrophobicContact CE1-CG2 3.59Å; V624-F672 HydrophobicContact CG1-CB 4.07Å; V624-F672 HydrophobicContact CG1-CD1 3.66Å; V624-F672 HydrophobicContact CG1-CG 4.34Å; V624-M673 WeakPolarHBondContact CG1-O 3.38Å
625I97.4Very high93.3Very high26 Ų2639.4 Ų39.413%0.13322%0.224CC..EExtended strand (participates in β ladder)trans-97.9126.7169.7-49.8179.8000108F603 P609 A610 K627 F672 M673 F675F603-I625 HydrophobicContact CD2-CG2 4.35Å; F603-I625 HydrophobicContact CE2-CB 4.45Å; F603-I625 HydrophobicContact CE2-CD1 3.87Å; F603-I625 HydrophobicContact CE2-CG1 3.84Å; F603-I625 HydrophobicContact CE2-CG2 3.93Å; F603-I625 HydrophobicContact CZ-CD1 3.86Å; F603-I625 HydrophobicContact CZ-CG1 4.14Å; P609-I625 HydrophobicContact CB-CG2 4.01Å; A610-I625 CarbonylContact O-C 3.55Å; A610-I625 WeakPolarHBondContact O-CA 3.43Å; I625-K627 HydrophobicContact CG2-CG 4.42Å; I625-F672 CarbonylContact O-C 3.57Å; I625-F672 WeakPolarHBondContact O-CA 3.43Å; I625-M673 HydrophobicContact CB-CB 4.21Å; I625-M673 PolarHBondContact N-O 3.41Å; I625-M673 PolarHBondContact O-N 3.18Å; I625-F675 HydrophobicContact CD1-CD2 3.99Å; I625-F675 HydrophobicContact CG1-CB 4.08Å; I625-F675 HydrophobicContact CG1-CD2 3.97Å
626F97.4Very high93.3Very high0 Ų034.9 Ų34.90%021%0.205CC..EExtended strand (participates in β ladder)trans-107.7120.8169.9-174.8-108.1000109.5L543 V544 M547 A610 L612 H628 H670 G671 F672L543-F626 HydrophobicContact CD2-CB 4.32Å; L543-F626 HydrophobicContact CD2-CD1 3.86Å; L543-F626 HydrophobicContact CD2-CD2 3.68Å; L543-F626 HydrophobicContact CD2-CE1 4.02Å; L543-F626 HydrophobicContact CD2-CE2 3.84Å; L543-F626 HydrophobicContact CD2-CG 3.67Å; L543-F626 HydrophobicContact CD2-CZ 4.01Å; L543-F626 HydrophobicContact CG-CD1 3.91Å; L543-F626 HydrophobicContact CG-CE1 3.82Å; L543-F626 HydrophobicContact CG-CE2 4.44Å; L543-F626 HydrophobicContact CG-CG 4.26Å; L543-F626 HydrophobicContact CG-CZ 4.09Å; V544-F626 HydrophobicContact CG2-CZ 3.87Å; M547-F626 HydrophobicContact CB-CE1 4.39Å; M547-F626 HydrophobicContact CG-CD1 3.68Å; M547-F626 HydrophobicContact CG-CE1 3.67Å; A610-F626 PolarHBondContact N-O 3.44Å; A610-F626 PolarHBondContact O-N 2.99Å; L612-F626 HydrophobicContact CD1-CB 3.94Å; F626-H628 HydrophobicContact CE1-CB 4.24Å; F626-H670 HydrophobicContact CE2-CB 4.4Å; F626-H670 HydrophobicContact CZ-CB 4Å; F626-G671 WeakPolarHBondContact CD2-O 3.5Å; F626-F672 HydrophobicContact CB-CD1 4.39Å; F626-F672 HydrophobicContact CB-CE1 4.42Å; F626-F672 AromaticContact CD2-CD1 3.66Å; F626-F672 HydrophobicContact CD2-CD1 3.66Å; F626-F672 HydrophobicContact CD2-CD2 4.4Å; F626-F672 AromaticContact CD2-CE1 3.44Å; F626-F672 HydrophobicContact CD2-CE1 3.44Å; F626-F672 VanDerWaalsContact CD2-CE1 3.44Å; F626-F672 HydrophobicContact CD2-CE2 4.2Å; F626-F672 HydrophobicContact CD2-CG 4.15Å; F626-F672 AromaticContact CD2-CZ 3.73Å; F626-F672 HydrophobicContact CD2-CZ 3.73Å; F626-F672 HydrophobicContact CE2-CD1 4.49Å; F626-F672 HydrophobicContact CE2-CE1 4.06Å; F626-F672 HydrophobicContact CE2-CE2 4.11Å; F626-F672 AromaticContact CE2-CZ 3.85Å; F626-F672 HydrophobicContact CE2-CZ 3.85Å; F626-F672 HydrophobicContact CG-CD1 4.49Å; F626-F672 HydrophobicContact CG-CE1 4.26Å
627K95.4Very high93.3Very high33 Ų3334.6 Ų34.614%0.14320%0.203CC..EExtended strand (participates in β ladder)trans-103.5135.4176.3-71-173.1157.8-166.30109.7P609 I625 D630 L632 H670 G671 M673P609-K627 HydrophobicContact CB-CB 4.45Å; P609-K627 HydrophobicContact CB-CG 3.72Å; P609-K627 HydrophobicContact CG-CG 4.47Å; I625-K627 HydrophobicContact CG2-CG 4.42Å; K627-D630 HydrophobicContact CD-CB 4.46Å; K627-D630 IonicContact NZ-OD2 2.82Å; K627-D630 PolarHBondContact NZ-OD2 3.43Å; K627-L632 HydrophobicContact CB-CD1 4.25Å; K627-L632 HydrophobicContact CB-CD2 4.43Å; K627-L632 HydrophobicContact CD-CD1 4.3Å; K627-L632 HydrophobicContact CD-CD2 3.48Å; K627-L632 VanDerWaalsContact CD-CD2 3.48Å; K627-L632 HydrophobicContact CD-CG 4.47Å; K627-H670 WeakPolarHBondContact O-CA 3.48Å; K627-H670 WeakPolarHBondContact O-CB 3.18Å; K627-G671 PolarHBondContact N-O 3.47Å; K627-G671 PolarHBondContact O-N 3.01Å; K627-G671 VanDerWaalsContact O-N 3.12Å; K627-M673 HydrophobicContact CD-SD 3.56Å; K627-M673 VanDerWaalsContact CD-SD 3.56Å; K627-M673 VanDerWaalsContact CE-SD 3.52Å; K627-M673 HydrophobicContact CG-SD 4.12Å
628H94.3Very high93.4Very high20 Ų2031 Ų319%0.09319%0.186CC..EExtended strand (participates in β ladder)trans-133127.5174.1174.5-88.4000109.9M547 K548 Q551 F626 K669 H670M547-H628 HydrophobicContact CB-CB 4.23Å; K548-H628 WeakPolarHBondContact CE-NE2 3.25Å; Q551-H628 PolarHBondContact NE2-ND1 3.47Å; Q551-H628 PolarHBondContact NE2-O 3.18Å; Q551-H628 PolarHBondContact OE1-CE1 3.26Å; Q551-H628 VanDerWaalsContact OE1-CE1 3.28Å; Q551-H628 PolarHBondContact OE1-ND1 3.3Å; F626-H628 HydrophobicContact CE1-CB 4.24Å; H628-K669 CarbonylContact C-O 3.53Å; H628-H670 HydrophobicContact CB-CB 4.45Å
629G88.8Confident93.6Very high43 Ų4324.9 Ų24.944%0.44315%0.153SC..SBendtrans99.311.6-172.100000114.9K669G629-K669 WeakPolarHBondContact CA-O 3.48Å; G629-K669 PolarHBondContact N-O 3.45Å
630D88.4Confident93.9Very high52 Ų5223.8 Ų23.828%0.27814%0.137SC..SBendtrans-134.6142.8-174-158.711.2000110.2L607 K627 L632 K669 H670L607-D630 HydrophobicContact CD1-CB 3.79Å; K627-D630 HydrophobicContact CD-CB 4.46Å; K627-D630 IonicContact NZ-OD2 2.82Å; K627-D630 PolarHBondContact NZ-OD2 3.43Å; D630-L632 HydrophobicContact CB-CD2 4.32Å; D630-K669 PolarHBondContact N-O 3.22Å; D630-K669 CarbonylContact O-C 3.54Å; D630-H670 PolarHBondContact O-N 2.82Å
631D90.3Very high94.1Very high30 Ų3021.5 Ų21.516%0.1612%0.118CC..  trans-94.2108.2177.5-173.4-10.7000110.1R633 T668D631-R633 WeakPolarHBondContact OD1-CB 3.47Å; D631-R633 VanDerWaalsContact OD1-CG 3.28Å; D631-R633 WeakPolarHBondContact OD1-CG 3.44Å; D631-R633 PolarHBondContact OD1-N 2.91Å; D631-R633 IonicContact OD1-NE 2.75Å; D631-R633 PolarHBondContact OD1-NE 3.48Å; D631-R633 VanDerWaalsContact OD1-NE 3.09Å; D631-R633 IonicContact OD2-CZ 2.68Å; D631-R633 VanDerWaalsContact OD2-CZ 3.3Å; D631-R633 IonicContact OD2-NE 3.39Å; D631-R633 PolarHBondContact OD2-NE 3.37Å; D631-R633 IonicContact OD2-NH2 3.93Å; D631-R633 PolarHBondContact OD2-NH2 3.19Å; D631-T668 WeakPolarHBondContact CA-O 2.99Å; D631-T668 WeakPolarHBondContact CB-O 3.33Å
632L92.9Very high94.2Very high0 Ų016.4 Ų16.40%09%0.093CC..THydrogen-bonded Turntrans-89.82.4-175.7-54-173.6000114.3K627 D630 Q634 D635 Q636 V663 A665 M673K627-L632 HydrophobicContact CB-CD1 4.25Å; K627-L632 HydrophobicContact CB-CD2 4.43Å; K627-L632 HydrophobicContact CD-CD1 4.3Å; K627-L632 HydrophobicContact CD-CD2 3.48Å; K627-L632 VanDerWaalsContact CD-CD2 3.48Å; K627-L632 HydrophobicContact CD-CG 4.47Å; D630-L632 HydrophobicContact CB-CD2 4.32Å; L632-Q634 PolarHBondContact O-N 3.28Å; L632-D635 PolarHBondContact O-N 3.43Å; L632-Q636 VanDerWaalsContact O-CB 3.23Å; L632-Q636 WeakPolarHBondContact O-CB 3.06Å; L632-Q636 PolarHBondContact O-N 3.47Å; L632-V663 HydrophobicContact CB-CG1 4.02Å; L632-V663 HydrophobicContact CD1-CG1 4.32Å; L632-A665 HydrophobicContact CB-CB 4.28Å; L632-M673 HydrophobicContact CD1-CG 3.98Å; L632-M673 HydrophobicContact CD1-SD 4.48Å
633R92.6Very high94.2Very high16 Ų1616.1 Ų16.16%0.0610%0.096CC..Hα-helixtrans-61.2-34.2-179.7-69.4-180-71.3177.11.5112V490 D494 D631 L637 A665 N818 I819V490-R633 HydrophobicContact CG1-CG 4.14Å; D494-R633 IonicContact OD1-NH2 3.47Å; D494-R633 IonicContact OD2-CZ 3.08Å; D494-R633 IonicContact OD2-NH1 3.03Å; D494-R633 PolarHBondContact OD2-NH1 3.4Å; D494-R633 IonicContact OD2-NH2 2.75Å; D631-R633 WeakPolarHBondContact OD1-CB 3.47Å; D631-R633 VanDerWaalsContact OD1-CG 3.28Å; D631-R633 WeakPolarHBondContact OD1-CG 3.44Å; D631-R633 PolarHBondContact OD1-N 2.91Å; D631-R633 IonicContact OD1-NE 2.75Å; D631-R633 PolarHBondContact OD1-NE 3.48Å; D631-R633 VanDerWaalsContact OD1-NE 3.09Å; D631-R633 IonicContact OD2-CZ 2.68Å; D631-R633 VanDerWaalsContact OD2-CZ 3.3Å; D631-R633 IonicContact OD2-NE 3.39Å; D631-R633 PolarHBondContact OD2-NE 3.37Å; D631-R633 IonicContact OD2-NH2 3.93Å; D631-R633 PolarHBondContact OD2-NH2 3.19Å; R633-L637 WeakPolarHBondContact O-CB 3.21Å; R633-L637 PolarHBondContact O-N 3.49Å; R633-A665 HydrophobicContact CG-CB 3.9Å; R633-N818 PolarHBondContact NH1-O 3.31Å; R633-N818 PolarHBondContact NH2-O 3.37Å; R633-I819 HydrophobicContact CB-CD1 4.35Å; R633-I819 HydrophobicContact CB-CG1 4.1Å
634Q91.8Very high94.2Very high8 Ų814.4 Ų14.44%0.0379%0.085CC..Hα-helixtrans-65.9-54.4176.6-173.7164.6-49.500111.5L632 Q636 L637 I638 F753 G754 I756 I819 D821L632-Q634 PolarHBondContact O-N 3.28Å; Q634-Q636 VanDerWaalsContact C-N 3.27Å; Q634-Q636 PolarHBondContact O-N 3.23Å; Q634-L637 PolarHBondContact O-N 3.01Å; Q634-I638 WeakPolarHBondContact O-CG1 3.48Å; Q634-I638 PolarHBondContact O-N 3.36Å; Q634-F753 PolarHBondContact NE2-O 3.38Å; Q634-G754 PolarHBondContact NE2-O 3.42Å; Q634-I756 HydrophobicContact CG-CD1 3.97Å; Q634-I756 HydrophobicContact CG-CG1 4.49Å; Q634-I819 HydrophobicContact CB-CG2 3.77Å; Q634-I819 HydrophobicContact CG-CG2 4.23Å; Q634-D821 PolarHBondContact NE2-OD2 3.29Å; Q634-D821 VanDerWaalsContact NE2-OD2 3.17Å; Q634-D821 VanDerWaalsContact OE1-N 3.15Å
635D93.7Very high94.2Very high5 Ų514.4 Ų14.43%0.0279%0.085CC..Hα-helixtrans-57.9-41.2175.1-66.2-101.1000112L632 I638 L639 V663 F753L632-D635 PolarHBondContact O-N 3.43Å; D635-I638 PolarHBondContact O-N 3.25Å; D635-L639 WeakPolarHBondContact O-CB 3.32Å; D635-L639 WeakPolarHBondContact O-CD1 3.44Å; D635-L639 WeakPolarHBondContact O-CG 3.39Å; D635-L639 PolarHBondContact O-N 3.28Å; D635-V663 HydrophobicContact CB-CG1 4.38Å; D635-F753 PolarHBondContact OD1-N 2.67Å
636Q94.6Very high94.2Very high8 Ų814 Ų144%0.0378%0.082CC..Hα-helixtrans-59.4-49.2177.5-176.7179.4-65.700111.6L632 Q634 L639 Q640 V663 L664L632-Q636 VanDerWaalsContact O-CB 3.23Å; L632-Q636 WeakPolarHBondContact O-CB 3.06Å; L632-Q636 PolarHBondContact O-N 3.47Å; Q634-Q636 VanDerWaalsContact C-N 3.27Å; Q634-Q636 PolarHBondContact O-N 3.23Å; Q636-L639 PolarHBondContact O-N 3.1Å; Q636-Q640 VanDerWaalsContact O-CB 3.29Å; Q636-Q640 WeakPolarHBondContact O-CB 3.48Å; Q636-Q640 PolarHBondContact O-N 3.04Å; Q636-V663 HydrophobicContact CB-CB 4.48Å; Q636-V663 HydrophobicContact CB-CG1 4.06Å; Q636-L664 VanDerWaalsContact OE1-CA 3.3Å
637L93.8Very high94.1Very high1 Ų116.8 Ų16.81%0.00510%0.095CC..Hα-helixtrans-59.9-48.6177.4173.462.3000110.8L397 Q398 R633 Q634 L639 Q640 I641 F811 M814 I819 I822L397-L637 HydrophobicContact CD2-CB 4.36Å; L397-L637 HydrophobicContact CD2-CD1 4.33Å; Q398-L637 VanDerWaalsContact NE2-CD1 3.32Å; R633-L637 WeakPolarHBondContact O-CB 3.21Å; R633-L637 PolarHBondContact O-N 3.49Å; Q634-L637 PolarHBondContact O-N 3.01Å; L637-L639 PolarHBondContact O-N 2.66Å; L637-Q640 WeakPolarHBondContact O-CB 3.18Å; L637-Q640 PolarHBondContact O-N 3.29Å; L637-I641 HydrophobicContact CD1-CG1 4.18Å; L637-I641 WeakPolarHBondContact O-CG1 3.48Å; L637-I641 PolarHBondContact O-N 2.84Å; L637-F811 HydrophobicContact CD2-CE1 4.45Å; L637-M814 HydrophobicContact CD1-CE 4.22Å; L637-M814 HydrophobicContact CD1-CG 3.88Å; L637-M814 HydrophobicContact CD1-SD 4.36Å; L637-M814 HydrophobicContact CD2-CB 4.37Å; L637-M814 HydrophobicContact CD2-CE 4.2Å; L637-M814 HydrophobicContact CD2-CG 4.23Å; L637-I819 HydrophobicContact CD2-CD1 4.03Å; L637-I822 HydrophobicContact CD2-CD1 3.41Å; L637-I822 VanDerWaalsContact CD2-CD1 3.41Å
638I94.4Very high94.1Very high2 Ų215.6 Ų15.61%0.019%0.09CC..Hα-helixtrans-63.4-43.8-177.4-64.5-61.6000111.5Q634 D635 Q640 I641 I642 L730 F753 I756Q634-I638 WeakPolarHBondContact O-CG1 3.48Å; Q634-I638 PolarHBondContact O-N 3.36Å; D635-I638 PolarHBondContact O-N 3.25Å; I638-Q640 VanDerWaalsContact C-N 3.34Å; I638-Q640 PolarHBondContact O-N 2.8Å; I638-I641 PolarHBondContact O-N 3.23Å; I638-I642 HydrophobicContact CG2-CD1 3.79Å; I638-I642 HydrophobicContact CG2-CG1 4.36Å; I638-I642 VanDerWaalsContact O-CG1 3.25Å; I638-I642 WeakPolarHBondContact O-CG1 3.41Å; I638-I642 PolarHBondContact O-N 3.39Å; I638-L730 HydrophobicContact CD1-CD1 4.43Å; I638-L730 HydrophobicContact CG2-CD1 4.1Å; I638-F753 HydrophobicContact CB-CB 4.14Å; I638-F753 HydrophobicContact CB-CD1 4.49Å; I638-F753 HydrophobicContact CB-CD2 4.43Å; I638-F753 HydrophobicContact CB-CG 4.11Å; I638-F753 HydrophobicContact CG1-CB 4.18Å; I638-F753 HydrophobicContact CG2-CB 4.08Å; I638-F753 HydrophobicContact CG2-CD1 3.53Å; I638-F753 HydrophobicContact CG2-CD2 4.05Å; I638-F753 HydrophobicContact CG2-CE1 3.9Å; I638-F753 HydrophobicContact CG2-CE2 4.36Å; I638-F753 HydrophobicContact CG2-CG 3.61Å; I638-F753 HydrophobicContact CG2-CZ 4.3Å; I638-I756 HydrophobicContact CD1-CB 4.43Å; I638-I756 HydrophobicContact CD1-CD1 3.95Å; I638-I756 HydrophobicContact CD1-CG2 3.89Å; I638-I756 HydrophobicContact CG1-CD1 4.34Å; I638-I756 HydrophobicContact CG1-CG2 3.92Å
639L95.8Very high94.3Very high5 Ų514.7 Ų14.73%0.0269%0.086CC..Hα-helixtrans-69.6-31.2178.1-75.9158.9000113.1D635 Q636 L637 I642 S643 Y661 V663 F753D635-L639 WeakPolarHBondContact O-CB 3.32Å; D635-L639 WeakPolarHBondContact O-CD1 3.44Å; D635-L639 WeakPolarHBondContact O-CG 3.39Å; D635-L639 PolarHBondContact O-N 3.28Å; Q636-L639 PolarHBondContact O-N 3.1Å; L637-L639 PolarHBondContact O-N 2.66Å; L639-I642 HydrophobicContact CD2-CD1 4.19Å; L639-I642 PolarHBondContact O-N 3.29Å; L639-S643 WeakPolarHBondContact O-CB 3.26Å; L639-S643 PolarHBondContact O-N 3.2Å; L639-S643 PolarHBondContact O-OG 3.29Å; L639-Y661 HydrophobicContact CD1-CD2 3.79Å; L639-Y661 HydrophobicContact CD1-CE1 4.2Å; L639-Y661 HydrophobicContact CD1-CE2 3.27Å; L639-Y661 HydrophobicContact CD1-CG 4.44Å; L639-Y661 VanDerWaalsContact CD1-CZ 3.5Å; L639-Y661 HydrophobicContact CD2-CD1 3.99Å; L639-Y661 HydrophobicContact CD2-CD2 4.48Å; L639-Y661 HydrophobicContact CD2-CE1 3.75Å; L639-Y661 HydrophobicContact CD2-CE2 4.29Å; L639-Y661 HydrophobicContact CD2-CG 4.34Å; L639-Y661 HydrophobicContact CG-CE2 4.4Å; L639-V663 HydrophobicContact CD1-CB 4.08Å; L639-V663 HydrophobicContact CD1-CG2 3.29Å; L639-F753 HydrophobicContact CD1-CD2 4.45Å; L639-F753 HydrophobicContact CD1-CE2 4.19Å; L639-F753 HydrophobicContact CD2-CE2 3.85Å; L639-F753 HydrophobicContact CD2-CZ 4.43Å; L639-F753 HydrophobicContact CG-CD2 4.28Å; L639-F753 HydrophobicContact CG-CE2 3.82Å
640Q94.8Very high94.6Very high19 Ų1917.4 Ų17.49%0.0898%0.083CC..Hα-helixtrans-63.3-45.1170.2-171.7-168.618.300110.5M394 Q636 L637 I638 S643 L644M394-Q640 PolarHBondContact O-NE2 3.18Å; Q636-Q640 VanDerWaalsContact O-CB 3.29Å; Q636-Q640 WeakPolarHBondContact O-CB 3.48Å; Q636-Q640 PolarHBondContact O-N 3.04Å; L637-Q640 WeakPolarHBondContact O-CB 3.18Å; L637-Q640 PolarHBondContact O-N 3.29Å; I638-Q640 VanDerWaalsContact C-N 3.34Å; I638-Q640 PolarHBondContact O-N 2.8Å; Q640-S643 WeakPolarHBondContact O-CB 3.37Å; Q640-S643 PolarHBondContact O-N 3.36Å; Q640-L644 PolarHBondContact O-N 2.84Å
641I95.7Very high94.9Very high1 Ų120.9 Ų20.91%0.00510%0.095CC..Hα-helixtrans-65.8-39.4176-61.9-61.6000111.6L637 I638 S643 L644 M645 L730 L810 F811L637-I641 HydrophobicContact CD1-CG1 4.18Å; L637-I641 WeakPolarHBondContact O-CG1 3.48Å; L637-I641 PolarHBondContact O-N 2.84Å; I638-I641 PolarHBondContact O-N 3.23Å; I641-S643 VanDerWaalsContact C-N 3.33Å; I641-S643 PolarHBondContact O-N 3.41Å; I641-L644 PolarHBondContact O-N 3.37Å; I641-M645 HydrophobicContact CG2-CE 3.88Å; I641-M645 HydrophobicContact CG2-CG 4.41Å; I641-M645 HydrophobicContact CG2-SD 4.24Å; I641-M645 VanDerWaalsContact O-CG 3.32Å; I641-M645 WeakPolarHBondContact O-CG 3.45Å; I641-M645 PolarHBondContact O-N 2.98Å; I641-L730 HydrophobicContact CG2-CD1 4.33Å; I641-L730 HydrophobicContact CG2-CD2 3.92Å; I641-L810 HydrophobicContact CD1-CB 4.18Å; I641-L810 HydrophobicContact CD1-CD1 4.1Å; I641-F811 HydrophobicContact CD1-CE2 4.49Å; I641-F811 HydrophobicContact CG1-CE2 4.27Å; I641-F811 HydrophobicContact CG1-CZ 4.16Å; I641-F811 HydrophobicContact CG2-CE2 4.25Å
642I96.7Very high95.2Very high1 Ų122.3 Ų22.31%0.00510%0.101CC..Hα-helixtrans-62.3-41.7173.6-64.9163.9000110.5I638 L639 L644 M645 D646 P660 Y723 I726 L730 F753I638-I642 HydrophobicContact CG2-CD1 3.79Å; I638-I642 HydrophobicContact CG2-CG1 4.36Å; I638-I642 VanDerWaalsContact O-CG1 3.25Å; I638-I642 WeakPolarHBondContact O-CG1 3.41Å; I638-I642 PolarHBondContact O-N 3.39Å; L639-I642 HydrophobicContact CD2-CD1 4.19Å; L639-I642 PolarHBondContact O-N 3.29Å; I642-L644 VanDerWaalsContact C-N 3.34Å; I642-L644 PolarHBondContact O-N 3.34Å; I642-M645 PolarHBondContact O-N 3.42Å; I642-D646 PolarHBondContact O-N 3.05Å; I642-P660 HydrophobicContact CG2-CB 4.07Å; I642-Y723 HydrophobicContact CD1-CE1 4.37Å; I642-Y723 HydrophobicContact CG2-CE1 4.46Å; I642-I726 HydrophobicContact CG1-CG2 3.8Å; I642-I726 HydrophobicContact CG2-CD1 4.41Å; I642-L730 HydrophobicContact CG1-CD1 4.26Å; I642-F753 HydrophobicContact CD1-CE1 4.01Å; I642-F753 HydrophobicContact CD1-CE2 4.29Å; I642-F753 HydrophobicContact CD1-CZ 3.65Å
643S96.7Very high95.3Very high30 Ų3029.8 Ų29.821%0.2114%0.141CC..Hα-helixtrans-61.6-42.6176.4-57.40000111.6L639 Q640 I641 D646 K647 P660L639-S643 WeakPolarHBondContact O-CB 3.26Å; L639-S643 PolarHBondContact O-N 3.2Å; L639-S643 PolarHBondContact O-OG 3.29Å; Q640-S643 WeakPolarHBondContact O-CB 3.37Å; Q640-S643 PolarHBondContact O-N 3.36Å; I641-S643 VanDerWaalsContact C-N 3.33Å; I641-S643 PolarHBondContact O-N 3.41Å; S643-D646 PolarHBondContact O-N 3.19Å; S643-K647 PolarHBondContact O-N 3.33Å; S643-P660 VanDerWaalsContact OG-CB 3.26Å; S643-P660 WeakPolarHBondContact OG-CB 3.45Å
644L95.8Very high95.5Very high3 Ų330 Ų302%0.01614%0.143CC..Hα-helixtrans-62.7-48.7174.3176.165.3000111.2Y395 Q640 I641 I642 D646 K647 L648 L806 L810Y395-L644 HydrophobicContact CE1-CD1 4.06Å; Y395-L644 HydrophobicContact CE1-CD2 4.35Å; Q640-L644 PolarHBondContact O-N 2.84Å; I641-L644 PolarHBondContact O-N 3.37Å; I642-L644 VanDerWaalsContact C-N 3.34Å; I642-L644 PolarHBondContact O-N 3.34Å; L644-D646 VanDerWaalsContact C-N 3.3Å; L644-D646 PolarHBondContact O-N 2.91Å; L644-K647 WeakPolarHBondContact O-CB 3.44Å; L644-K647 PolarHBondContact O-N 3.38Å; L644-K647 VanDerWaalsContact O-N 3.12Å; L644-L648 HydrophobicContact CD1-CD1 4.22Å; L644-L648 HydrophobicContact CD1-CG 4.15Å; L644-L648 HydrophobicContact CG-CD1 3.94Å; L644-L648 HydrophobicContact CG-CG 4.31Å; L644-L648 VanDerWaalsContact O-CG 3.28Å; L644-L648 WeakPolarHBondContact O-CG 3.28Å; L644-L648 PolarHBondContact O-N 3.46Å; L644-L806 HydrophobicContact CD1-CD2 4.22Å; L644-L806 HydrophobicContact CD2-CD2 4.22Å; L644-L806 HydrophobicContact CD2-CG 4.34Å; L644-L810 HydrophobicContact CD2-CD1 3.19Å
645M97.3Very high95.8Very high0 Ų031.8 Ų31.80%015%0.153CC..Hα-helixtrans-58.6-41.5177.7-72.5177.717100111.6I641 I642 L648 L649 I726 I729 L730 L800 I807I641-M645 HydrophobicContact CG2-CE 3.88Å; I641-M645 HydrophobicContact CG2-CG 4.41Å; I641-M645 HydrophobicContact CG2-SD 4.24Å; I641-M645 VanDerWaalsContact O-CG 3.32Å; I641-M645 WeakPolarHBondContact O-CG 3.45Å; I641-M645 PolarHBondContact O-N 2.98Å; I642-M645 PolarHBondContact O-N 3.42Å; M645-L648 PolarHBondContact O-N 2.9Å; M645-L649 WeakPolarHBondContact O-CB 3.38Å; M645-L649 WeakPolarHBondContact O-CD1 3.45Å; M645-L649 WeakPolarHBondContact O-CG 3.34Å; M645-L649 PolarHBondContact O-N 3.01Å; M645-I726 HydrophobicContact CB-CD1 4.06Å; M645-I726 HydrophobicContact CB-CG1 4.42Å; M645-I726 HydrophobicContact SD-CB 4.15Å; M645-I726 HydrophobicContact SD-CD1 4.26Å; M645-I726 HydrophobicContact SD-CG1 3.73Å; M645-I726 HydrophobicContact SD-CG2 3.58Å; M645-I726 VanDerWaalsContact SD-CG2 3.58Å; M645-I729 HydrophobicContact CE-CG2 3.86Å; M645-L730 HydrophobicContact CE-CD2 3.93Å; M645-L730 HydrophobicContact CE-CG 4.29Å; M645-L800 HydrophobicContact CB-CD2 3.85Å; M645-L800 HydrophobicContact CG-CD1 4.5Å; M645-L800 HydrophobicContact CG-CD2 3.84Å; M645-L800 HydrophobicContact SD-CD1 4.29Å; M645-I807 HydrophobicContact CE-CD1 3.77Å; M645-I807 HydrophobicContact CE-CG2 4.17Å; M645-I807 HydrophobicContact CG-CD1 4.17Å
646D97.4Very high96Very high16 Ų1631.5 Ų31.59%0.08615%0.152CC..Hα-helixtrans-62-44.1173.9-169.954.8000111.6I642 S643 L644 L648 L649 R650 L658I642-D646 PolarHBondContact O-N 3.05Å; S643-D646 PolarHBondContact O-N 3.19Å; L644-D646 VanDerWaalsContact C-N 3.3Å; L644-D646 PolarHBondContact O-N 2.91Å; D646-L648 PolarHBondContact O-N 3Å; D646-L649 PolarHBondContact O-N 3Å; D646-R650 WeakPolarHBondContact O-CB 3.41Å; D646-R650 VanDerWaalsContact O-CG 3.25Å; D646-R650 WeakPolarHBondContact O-CG 3.37Å; D646-R650 PolarHBondContact O-N 3.32Å; D646-R650 IonicContact OD1-CZ 3.09Å; D646-R650 IonicContact OD1-NE 3.3Å; D646-R650 IonicContact OD1-NH2 2.58Å; D646-R650 PolarHBondContact OD1-NH2 3.47Å; D646-R650 IonicContact OD2-CZ 2.66Å; D646-R650 IonicContact OD2-NE 3.98Å; D646-R650 PolarHBondContact OD2-NE 3.22Å; D646-R650 IonicContact OD2-NH2 2.94Å; D646-R650 PolarHBondContact OD2-NH2 3.39Å; D646-R650 VanDerWaalsContact OD2-NH2 3.16Å; D646-L658 HydrophobicContact CB-CB 4.32Å; D646-L658 HydrophobicContact CB-CD1 3.82Å
647K95.7Very high96.1Very high60 Ų6034.3 Ų34.326%0.26116%0.164SC..Hα-helixtrans-60.1-44.6175.4-174.2175.2-178.1173.10111.7D391 M394 S643 L644 R650 K651D391-K647 WeakPolarHBondContact OD1-CE 3.03Å; D391-K647 IonicContact OD1-NZ 3.68Å; D391-K647 PolarHBondContact OD1-NZ 2.95Å; M394-K647 HydrophobicContact CE-CD 4.43Å; S643-K647 PolarHBondContact O-N 3.33Å; L644-K647 WeakPolarHBondContact O-CB 3.44Å; L644-K647 PolarHBondContact O-N 3.38Å; L644-K647 VanDerWaalsContact O-N 3.12Å; K647-R650 PolarHBondContact O-N 2.88Å; K647-K651 PolarHBondContact O-N 3.39Å
648L95.3Very high96.3Very high7 Ų734.6 Ų34.64%0.03717%0.165CC..Hα-helixtrans-65.2-41.6178.7-67172.2000112L644 M645 D646 K651 E652 Y803 L806L644-L648 HydrophobicContact CD1-CD1 4.22Å; L644-L648 HydrophobicContact CD1-CG 4.15Å; L644-L648 HydrophobicContact CG-CD1 3.94Å; L644-L648 HydrophobicContact CG-CG 4.31Å; L644-L648 VanDerWaalsContact O-CG 3.28Å; L644-L648 WeakPolarHBondContact O-CG 3.28Å; L644-L648 PolarHBondContact O-N 3.46Å; M645-L648 PolarHBondContact O-N 2.9Å; D646-L648 PolarHBondContact O-N 3Å; L648-K651 WeakPolarHBondContact O-CB 3.32Å; L648-K651 PolarHBondContact O-N 3.13Å; L648-E652 PolarHBondContact O-N 3.33Å; L648-Y803 HydrophobicContact CB-CD2 4.19Å; L648-Y803 HydrophobicContact CB-CE2 4.5Å; L648-Y803 HydrophobicContact CB-CG 4.5Å; L648-Y803 HydrophobicContact CD1-CD2 4.5Å; L648-Y803 HydrophobicContact CD1-CG 4.07Å; L648-Y803 HydrophobicContact CD2-CD1 3.79Å; L648-Y803 HydrophobicContact CD2-CD2 4.32Å; L648-Y803 HydrophobicContact CD2-CE1 4.02Å; L648-Y803 HydrophobicContact CD2-CG 3.96Å; L648-Y803 HydrophobicContact CG-CG 4.4Å; L648-L806 HydrophobicContact CD1-CD2 4.37Å; L648-L806 HydrophobicContact CD2-CD2 4.36Å
649L97.4Very high96.4Very high1 Ų135.5 Ų35.51%0.00517%0.17CC..Hα-helixtrans-65.1-42.6175.7-70.9164000111.4M645 D646 K651 E652 N653 L654 L656 L658 A796 H799 L800M645-L649 WeakPolarHBondContact O-CB 3.38Å; M645-L649 WeakPolarHBondContact O-CD1 3.45Å; M645-L649 WeakPolarHBondContact O-CG 3.34Å; M645-L649 PolarHBondContact O-N 3.01Å; D646-L649 PolarHBondContact O-N 3Å; L649-K651 VanDerWaalsContact C-N 3.3Å; L649-K651 PolarHBondContact O-N 2.72Å; L649-E652 CarbonylContact O-C 3.54Å; L649-E652 PolarHBondContact O-N 3.18Å; L649-E652 VanDerWaalsContact O-N 3.1Å; L649-N653 PolarHBondContact O-N 3.04Å; L649-L654 CarbonylContact C-O 3.58Å; L649-L654 HydrophobicContact CB-CB 4.48Å; L649-L654 WeakPolarHBondContact CB-O 3.47Å; L649-L654 HydrophobicContact CD2-CD2 3.87Å; L649-L654 WeakPolarHBondContact O-CA 3.39Å; L649-L654 WeakPolarHBondContact O-CB 3.47Å; L649-L654 PolarHBondContact O-N 3.46Å; L649-L656 HydrophobicContact CD1-CD1 3.73Å; L649-L658 HydrophobicContact CD1-CD1 4.42Å; L649-A796 HydrophobicContact CD2-CB 4.11Å; L649-H799 HydrophobicContact CD2-CB 4.04Å; L649-L800 HydrophobicContact CD1-CD1 4.45Å; L649-L800 HydrophobicContact CD1-CD2 4.3Å; L649-L800 HydrophobicContact CD1-CG 4.48Å; L649-L800 HydrophobicContact CD2-CD2 4.26Å; L649-L800 HydrophobicContact CD2-CG 4.1Å; L649-L800 HydrophobicContact CG-CD2 3.99Å; L649-L800 HydrophobicContact CG-CG 4.31Å
650R96.6Very high96.4Very high101 Ų10136.8 Ų36.838%0.38118%0.179SC..Hα-helixtrans-62.9-34.8174.9-71.9174.6-170.5-71-19.7112.6D646 K647 E652 N653 D655D646-R650 WeakPolarHBondContact O-CB 3.41Å; D646-R650 VanDerWaalsContact O-CG 3.25Å; D646-R650 WeakPolarHBondContact O-CG 3.37Å; D646-R650 PolarHBondContact O-N 3.32Å; D646-R650 IonicContact OD1-CZ 3.09Å; D646-R650 IonicContact OD1-NE 3.3Å; D646-R650 IonicContact OD1-NH2 2.58Å; D646-R650 PolarHBondContact OD1-NH2 3.47Å; D646-R650 IonicContact OD2-CZ 2.66Å; D646-R650 IonicContact OD2-NE 3.98Å; D646-R650 PolarHBondContact OD2-NE 3.22Å; D646-R650 IonicContact OD2-NH2 2.94Å; D646-R650 PolarHBondContact OD2-NH2 3.39Å; D646-R650 VanDerWaalsContact OD2-NH2 3.16Å; K647-R650 PolarHBondContact O-N 2.88Å; R650-E652 PolarHBondContact O-N 2.93Å; R650-N653 WeakPolarHBondContact O-CA 3.26Å; R650-N653 PolarHBondContact O-N 3.38Å; R650-D655 IonicContact CZ-OD1 3.03Å; R650-D655 IonicContact CZ-OD2 2.72Å; R650-D655 IonicContact NH1-OD1 3.53Å; R650-D655 PolarHBondContact NH1-OD1 3.33Å; R650-D655 VanDerWaalsContact NH1-OD1 3.08Å; R650-D655 IonicContact NH1-OD2 2.78Å; R650-D655 PolarHBondContact NH1-OD2 3.2Å; R650-D655 IonicContact NH2-OD1 2.69Å; R650-D655 PolarHBondContact NH2-OD1 2.93Å; R650-D655 IonicContact NH2-OD2 3.55Å
651K94.2Very high96.4Very high125 Ų12536.3 Ų36.354%0.54318%0.177SC..Hα-helixtrans-59.9-32.6173.9-171.6-179.9179.1-1800111.9E361 K647 L648 L649 N653E361-K651 IonicContact OE1-NZ 3.79Å; K647-K651 PolarHBondContact O-N 3.39Å; L648-K651 WeakPolarHBondContact O-CB 3.32Å; L648-K651 PolarHBondContact O-N 3.13Å; L649-K651 VanDerWaalsContact C-N 3.3Å; L649-K651 PolarHBondContact O-N 2.72Å; K651-N653 VanDerWaalsContact C-N 3.27Å; K651-N653 PolarHBondContact O-N 3.06Å
652E95.8Very high96.5Very high59 Ų5939.8 Ų39.828%0.27619%0.192SC..THydrogen-bonded Turntrans-87.413173.9-59.4-71.7138.200113.1L648 L649 R650 L654 H799 Y803L648-E652 PolarHBondContact O-N 3.33Å; L649-E652 CarbonylContact O-C 3.54Å; L649-E652 PolarHBondContact O-N 3.18Å; L649-E652 VanDerWaalsContact O-N 3.1Å; R650-E652 PolarHBondContact O-N 2.93Å; E652-L654 VanDerWaalsContact C-N 3.28Å; E652-L654 PolarHBondContact O-N 3.49Å; E652-H799 HydrophobicContact CG-CB 4.27Å; E652-H799 WeakPolarHBondContact CG-ND1 3.44Å; E652-H799 IonicContact OE2-CE1 3.45Å; E652-H799 PolarHBondContact OE2-CE1 3.31Å; E652-H799 IonicContact OE2-ND1 2.76Å; E652-H799 PolarHBondContact OE2-ND1 3.05Å; E652-Y803 HydrophobicContact CG-CE2 3.99Å; E652-Y803 PolarHBondContact OE1-OH 2.96Å
653N96.1Very high96.5Very high157 Ų15740.5 Ų40.584%0.8420%0.196SC*.THydrogen-bonded Turntrans62.326.2-175.2-56.1-68.3000114.9L649 R650 K651L649-N653 PolarHBondContact O-N 3.04Å; R650-N653 WeakPolarHBondContact O-CA 3.26Å; R650-N653 PolarHBondContact O-N 3.38Å; K651-N653 VanDerWaalsContact C-N 3.27Å; K651-N653 PolarHBondContact O-N 3.06Å
654L97.1Very high96.5Very high21 Ų2139 Ų3911%0.1119%0.186CC..  trans-108.791.1177.7-171.561.6000111.3L649 E652 L656 Q792 T795 A796L649-L654 CarbonylContact C-O 3.58Å; L649-L654 HydrophobicContact CB-CB 4.48Å; L649-L654 WeakPolarHBondContact CB-O 3.47Å; L649-L654 HydrophobicContact CD2-CD2 3.87Å; L649-L654 WeakPolarHBondContact O-CA 3.39Å; L649-L654 WeakPolarHBondContact O-CB 3.47Å; L649-L654 PolarHBondContact O-N 3.46Å; E652-L654 VanDerWaalsContact C-N 3.28Å; E652-L654 PolarHBondContact O-N 3.49Å; L654-L656 HydrophobicContact CD1-CD2 4.14Å; L654-L656 HydrophobicContact CD2-CD2 4.38Å; L654-L656 HydrophobicContact CD2-CG 4.48Å; L654-L656 HydrophobicContact CG-CD2 4.02Å; L654-L656 HydrophobicContact CG-CG 4.12Å; L654-L656 PolarHBondContact O-N 3.23Å; L654-Q792 VanDerWaalsContact CD1-OE1 3.25Å; L654-T795 HydrophobicContact CD2-CG2 3.99Å; L654-A796 HydrophobicContact CD2-CB 4.13Å
655D97.3Very high96.5Very high45 Ų4539 Ų3924%0.24119%0.186CC..  trans-88.397.8175.4-177.66000111.6R650 K657R650-D655 IonicContact CZ-OD1 3.03Å; R650-D655 IonicContact CZ-OD2 2.72Å; R650-D655 IonicContact NH1-OD1 3.53Å; R650-D655 PolarHBondContact NH1-OD1 3.33Å; R650-D655 VanDerWaalsContact NH1-OD1 3.08Å; R650-D655 IonicContact NH1-OD2 2.78Å; R650-D655 PolarHBondContact NH1-OD2 3.2Å; R650-D655 IonicContact NH2-OD1 2.69Å; R650-D655 PolarHBondContact NH2-OD1 2.93Å; R650-D655 IonicContact NH2-OD2 3.55Å; D655-K657 PolarHBondContact O-N 3.38Å; D655-K657 WeakPolarHBondContact OD1-CA 3.31Å; D655-K657 PolarHBondContact OD1-N 3.26Å; D655-K657 WeakPolarHBondContact OD2-CE 3.33Å; D655-K657 IonicContact OD2-NZ 3.41Å; D655-K657 PolarHBondContact OD2-NZ 3.45Å
656L97.7Very high96.4Very high0 Ų039 Ų390%019%0.186CC..  trans-81.38.7177.4-63179.7000113.8L649 L654 L658 K718 S719 G722 Q792 A796L649-L656 HydrophobicContact CD1-CD1 3.73Å; L654-L656 HydrophobicContact CD1-CD2 4.14Å; L654-L656 HydrophobicContact CD2-CD2 4.38Å; L654-L656 HydrophobicContact CD2-CG 4.48Å; L654-L656 HydrophobicContact CG-CD2 4.02Å; L654-L656 HydrophobicContact CG-CG 4.12Å; L654-L656 PolarHBondContact O-N 3.23Å; L656-L658 HydrophobicContact CB-CG 4.15Å; L656-L658 PolarHBondContact O-N 2.95Å; L656-L658 VanDerWaalsContact O-N 3.16Å; L656-K718 CarbonylContact O-C 3.56Å; L656-S719 WeakPolarHBondContact O-CA 3.37Å; L656-S719 PolarHBondContact O-N 3.04Å; L656-G722 VanDerWaalsContact CD1-CA 3.43Å; L656-Q792 HydrophobicContact CD2-CB 4.3Å; L656-Q792 VanDerWaalsContact CD2-OE1 3.32Å; L656-A796 HydrophobicContact CD1-CB 3.62Å
657K97.4Very high96.2Very high67 Ų6738.6 Ų38.629%0.29118%0.184SC..  trans55.133.8178.6-51.6-62.4178.2-170.60113.5D655 T715 K718D655-K657 PolarHBondContact O-N 3.38Å; D655-K657 WeakPolarHBondContact OD1-CA 3.31Å; D655-K657 PolarHBondContact OD1-N 3.26Å; D655-K657 WeakPolarHBondContact OD2-CE 3.33Å; D655-K657 IonicContact OD2-NZ 3.41Å; D655-K657 PolarHBondContact OD2-NZ 3.45Å; K657-T715 HydrophobicContact CB-CG2 3.98Å; K657-T715 HydrophobicContact CG-CG2 4.21Å; K657-K718 HydrophobicContact CG-CB 4.3Å; K657-K718 HydrophobicContact CG-CD 4.31Å
658L97.2Very high96Very high7 Ų736.5 Ų36.54%0.03718%0.177CC..  trans-61.4157.4176.5-62.7174.8000111.2D646 L649 L656 P660 Y723 I726D646-L658 HydrophobicContact CB-CB 4.32Å; D646-L658 HydrophobicContact CB-CD1 3.82Å; L649-L658 HydrophobicContact CD1-CD1 4.42Å; L656-L658 HydrophobicContact CB-CG 4.15Å; L656-L658 PolarHBondContact O-N 2.95Å; L656-L658 VanDerWaalsContact O-N 3.16Å; L658-P660 VanDerWaalsContact C-CD 3.48Å; L658-Y723 HydrophobicContact CD2-CD2 3.58Å; L658-Y723 HydrophobicContact CD2-CE2 3.71Å; L658-Y723 HydrophobicContact CD2-CG 4.14Å; L658-I726 HydrophobicContact CD1-CD1 3.38Å; L658-I726 HydrophobicContact CD2-CD1 4.33Å
659T96.6Very high95.8Very high20 Ų2040.9 Ų40.912%0.12320%0.196CC..  trans-13070179.1-510000109.9Y661 V676 Y723 K747T659-Y661 PolarHBondContact O-N 3.43Å; T659-V676 HydrophobicContact CG2-CG1 4.4Å; T659-V676 HydrophobicContact CG2-CG2 4.34Å; T659-Y723 VanDerWaalsContact C-OH 3.28Å; T659-Y723 PolarHBondContact O-OH 3.3Å; T659-K747 VanDerWaalsContact OG1-CD 3.26Å; T659-K747 WeakPolarHBondContact OG1-CD 3.27Å
660P95.6Very high95.7Very high33 Ų3341.7 Ų41.721%0.21420%0.199CC..  trans-70.996.9172.729.1-31.6000109I642 S643 L658I642-P660 HydrophobicContact CG2-CB 4.07Å; S643-P660 VanDerWaalsContact OG-CB 3.26Å; S643-P660 WeakPolarHBondContact OG-CB 3.45Å; L658-P660 VanDerWaalsContact C-CD 3.48Å
661Y96Very high95.7Very high8 Ų836.9 Ų36.93%0.03118%0.181CC..  trans-74.4147.9178.257.9-89.9000110.6L639 T659 V663 M673 F749 H750 I751 F753L639-Y661 HydrophobicContact CD1-CD2 3.79Å; L639-Y661 HydrophobicContact CD1-CE1 4.2Å; L639-Y661 HydrophobicContact CD1-CE2 3.27Å; L639-Y661 HydrophobicContact CD1-CG 4.44Å; L639-Y661 VanDerWaalsContact CD1-CZ 3.5Å; L639-Y661 HydrophobicContact CD2-CD1 3.99Å; L639-Y661 HydrophobicContact CD2-CD2 4.48Å; L639-Y661 HydrophobicContact CD2-CE1 3.75Å; L639-Y661 HydrophobicContact CD2-CE2 4.29Å; L639-Y661 HydrophobicContact CD2-CG 4.34Å; L639-Y661 HydrophobicContact CG-CE2 4.4Å; T659-Y661 PolarHBondContact O-N 3.43Å; Y661-V663 HydrophobicContact CD2-CG2 3.88Å; Y661-V663 HydrophobicContact CE2-CG2 3.69Å; Y661-M673 HydrophobicContact CE2-CE 3.65Å; Y661-F749 HydrophobicContact CD1-CD2 4.01Å; Y661-F749 HydrophobicContact CD1-CE2 4.13Å; Y661-F749 HydrophobicContact CE1-CD2 4.13Å; Y661-F749 HydrophobicContact CE1-CE2 4.36Å; Y661-H750 WeakPolarHBondContact CE1-O 3.46Å; Y661-I751 HydrophobicContact CE1-CG2 3.87Å; Y661-I751 WeakPolarHBondContact OH-CA 3.47Å; Y661-F753 HydrophobicContact CE1-CE2 4.49Å; Y661-F753 WeakPolarHBondContact OH-CE2 3.49Å
662K95.9Very high95.8Very high74 Ų7430.9 Ų30.932%0.32216%0.155SC..  trans-72138.2-175.8-60.6-178.9176.8-175.50111.1L586 E587 M673 Q674L586-K662 HydrophobicContact CD1-CB 3.76Å; L586-K662 HydrophobicContact CD2-CB 4.47Å; L586-K662 HydrophobicContact CG-CB 4.03Å; E587-K662 HydrophobicContact CB-CD 4.31Å; E587-K662 IonicContact OE1-NZ 3.76Å; E587-K662 PolarHBondContact OE1-NZ 3.21Å; E587-K662 IonicContact OE2-NZ 2.63Å; K662-M673 CarbonylContact O-C 3.57Å; K662-M673 WeakPolarHBondContact O-CA 3.48Å; K662-Q674 HydrophobicContact CB-CB 4.12Å; K662-Q674 PolarHBondContact O-N 2.85Å
663V96.8Very high95.9Very high16 Ų1628.8 Ų28.810%0.09715%0.145CC..EExtended strand (participates in β ladder)trans-134.4137.2171.4175.70000108.8L632 D635 Q636 L639 Y661 F672 M673L632-V663 HydrophobicContact CB-CG1 4.02Å; L632-V663 HydrophobicContact CD1-CG1 4.32Å; D635-V663 HydrophobicContact CB-CG1 4.38Å; Q636-V663 HydrophobicContact CB-CB 4.48Å; Q636-V663 HydrophobicContact CB-CG1 4.06Å; L639-V663 HydrophobicContact CD1-CB 4.08Å; L639-V663 HydrophobicContact CD1-CG2 3.29Å; Y661-V663 HydrophobicContact CD2-CG2 3.88Å; Y661-V663 HydrophobicContact CE2-CG2 3.69Å; V663-F672 WeakPolarHBondContact CA-O 3.5Å; V663-M673 HydrophobicContact CG1-CG 4.35Å; V663-M673 HydrophobicContact CG2-CB 4.13Å; V663-M673 HydrophobicContact CG2-CE 3.97Å; V663-M673 HydrophobicContact CG2-CG 4.01Å
664L97.4Very high95.9Very high0 Ų023.9 Ų23.90%012%0.117CC..EExtended strand (participates in β ladder)trans-136.1112.3174.3-179.365.5000110Y483 W486 Y487 P585 L586 Q636 T666 G671 F672Y483-L664 HydrophobicContact CD1-CD1 4.16Å; Y483-L664 HydrophobicContact CE1-CD1 4.46Å; W486-L664 HydrophobicContact CB-CD1 3.99Å; W486-L664 HydrophobicContact CB-CD2 4.32Å; W486-L664 HydrophobicContact CG-CD2 4.01Å; Y487-L664 HydrophobicContact CD1-CD1 4.29Å; Y487-L664 HydrophobicContact CE1-CD1 3.75Å; P585-L664 HydrophobicContact CB-CD2 3.8Å; P585-L664 WeakPolarHBondContact O-CD2 3.47Å; L586-L664 HydrophobicContact CD1-CB 3.85Å; Q636-L664 VanDerWaalsContact OE1-CA 3.3Å; L664-T666 HydrophobicContact CD2-CG2 4.23Å; L664-T666 HydrophobicContact CG-CG2 4.24Å; L664-G671 CarbonylContact O-C 3.59Å; L664-G671 WeakPolarHBondContact O-CA 3.43Å; L664-F672 PolarHBondContact N-O 3.36Å; L664-F672 PolarHBondContact O-N 3.15Å
665A95.9Very high95.9Very high1 Ų124.5 Ų24.51%0.00812%0.119CC..EExtended strand (participates in β ladder)trans-69.5128.5163.100000109V490 L632 R633V490-A665 HydrophobicContact CG2-CB 4.45Å; L632-A665 HydrophobicContact CB-CB 4.28Å; R633-A665 HydrophobicContact CG-CB 3.9Å
666T95.7Very high95.8Very high0 Ų023.7 Ų23.70%012%0.116CC..SBendtrans-110.3-9.5176.449.90000112.2W486 L664 H670 F672W486-T666 HydrophobicContact CD2-CG2 4Å; W486-T666 HydrophobicContact CE3-CG2 3.68Å; W486-T666 HydrophobicContact CH2-CG2 4.24Å; W486-T666 HydrophobicContact CZ3-CG2 3.82Å; L664-T666 HydrophobicContact CD2-CG2 4.23Å; L664-T666 HydrophobicContact CG-CG2 4.24Å; T666-H670 PolarHBondContact N-O 3.07Å; T666-H670 PolarHBondContact OG1-CE1 3.11Å; T666-H670 PolarHBondContact OG1-ND1 2.97Å; T666-H670 PolarHBondContact OG1-O 3.15Å; T666-F672 HydrophobicContact CG2-CD2 3.83Å; T666-F672 HydrophobicContact CG2-CE2 3.9Å
667S93.3Very high95.6Very high8 Ų830.2 Ų30.26%0.05615%0.146CC..SBendtrans-161.1176.2171.6-179.80000107.8E493 K669 H670E493-S667 WeakPolarHBondContact OE2-CB 3.37Å; E493-S667 PolarHBondContact OE2-OG 3.47Å; S667-K669 PolarHBondContact O-N 3.01Å; S667-H670 WeakPolarHBondContact CB-CE1 3.38Å; S667-H670 WeakPolarHBondContact CB-NE2 3.2Å; S667-H670 PolarHBondContact N-O 3.39Å; S667-H670 VanDerWaalsContact N-O 3.12Å
668T90.4Very high95.5Very high16 Ų1628.1 Ų28.110%0.09814%0.14CC..SBendtrans-69.9-7170.256.90000113.5V490 D494 D631V490-T668 HydrophobicContact CG1-CG2 4.47Å; D494-T668 HydrophobicContact CB-CG2 3.96Å; D631-T668 WeakPolarHBondContact CA-O 2.99Å; D631-T668 WeakPolarHBondContact CB-O 3.33Å
669K91.5Very high95.4Very high100 Ų10029.2 Ų29.244%0.43515%0.147SC..SBendtrans-124.8-6.2-176.2-63.6175.9-176.1168.70113.8D496 H628 G629 D630 S667D496-K669 IonicContact OD1-NZ 2.77Å; D496-K669 WeakPolarHBondContact OD2-CE 3.28Å; D496-K669 IonicContact OD2-NZ 3.39Å; D496-K669 PolarHBondContact OD2-NZ 3.46Å; H628-K669 CarbonylContact C-O 3.53Å; G629-K669 WeakPolarHBondContact CA-O 3.48Å; G629-K669 PolarHBondContact N-O 3.45Å; D630-K669 PolarHBondContact N-O 3.22Å; D630-K669 CarbonylContact O-C 3.54Å; S667-K669 PolarHBondContact O-N 3.01Å
670H94.5Very high95.4Very high17 Ų1729.9 Ų29.98%0.07915%0.152CC..EExtended strand (participates in β ladder)trans-156.9156.1-178.857.279000113.5F626 K627 H628 D630 T666 S667F626-H670 HydrophobicContact CE2-CB 4.4Å; F626-H670 HydrophobicContact CZ-CB 4Å; K627-H670 WeakPolarHBondContact O-CA 3.48Å; K627-H670 WeakPolarHBondContact O-CB 3.18Å; H628-H670 HydrophobicContact CB-CB 4.45Å; D630-H670 PolarHBondContact O-N 2.82Å; T666-H670 PolarHBondContact N-O 3.07Å; T666-H670 PolarHBondContact OG1-CE1 3.11Å; T666-H670 PolarHBondContact OG1-ND1 2.97Å; T666-H670 PolarHBondContact OG1-O 3.15Å; S667-H670 WeakPolarHBondContact CB-CE1 3.38Å; S667-H670 WeakPolarHBondContact CB-NE2 3.2Å; S667-H670 PolarHBondContact N-O 3.39Å; S667-H670 VanDerWaalsContact N-O 3.12Å
671G96.9Very high95.4Very high0 Ų028.3 Ų28.30%014%0.142CC..EExtended strand (participates in β ladder)trans-176.9-177.9175.500000113.5F626 K627 L664F626-G671 WeakPolarHBondContact CD2-O 3.5Å; K627-G671 PolarHBondContact N-O 3.47Å; K627-G671 PolarHBondContact O-N 3.01Å; K627-G671 VanDerWaalsContact O-N 3.12Å; L664-G671 CarbonylContact O-C 3.59Å; L664-G671 WeakPolarHBondContact O-CA 3.43Å
672F97.8Very high95.2Very high0 Ų029.1 Ų29.10%015%0.15CC..EExtended strand (participates in β ladder)trans-108145.7-177-63.8-83.6000111V540 L543 P585 L586 F614 V624 I625 F626 V663 L664 T666V540-F672 HydrophobicContact CG2-CE2 3.8Å; V540-F672 HydrophobicContact CG2-CZ 4.05Å; L543-F672 HydrophobicContact CD2-CE1 3.74Å; L543-F672 HydrophobicContact CD2-CZ 3.82Å; P585-F672 HydrophobicContact CB-CD2 4.44Å; P585-F672 HydrophobicContact CB-CE2 4.33Å; P585-F672 HydrophobicContact CG-CE2 4.37Å; L586-F672 HydrophobicContact CB-CB 4.04Å; L586-F672 HydrophobicContact CD1-CB 4.11Å; L586-F672 HydrophobicContact CD2-CB 4.26Å; L586-F672 HydrophobicContact CG-CB 4.37Å; F614-F672 HydrophobicContact CZ-CE1 4.31Å; V624-F672 HydrophobicContact CG1-CB 4.07Å; V624-F672 HydrophobicContact CG1-CD1 3.66Å; V624-F672 HydrophobicContact CG1-CG 4.34Å; I625-F672 CarbonylContact O-C 3.57Å; I625-F672 WeakPolarHBondContact O-CA 3.43Å; F626-F672 HydrophobicContact CB-CD1 4.39Å; F626-F672 HydrophobicContact CB-CE1 4.42Å; F626-F672 AromaticContact CD2-CD1 3.66Å; F626-F672 HydrophobicContact CD2-CD1 3.66Å; F626-F672 HydrophobicContact CD2-CD2 4.4Å; F626-F672 AromaticContact CD2-CE1 3.44Å; F626-F672 HydrophobicContact CD2-CE1 3.44Å; F626-F672 VanDerWaalsContact CD2-CE1 3.44Å; F626-F672 HydrophobicContact CD2-CE2 4.2Å; F626-F672 HydrophobicContact CD2-CG 4.15Å; F626-F672 AromaticContact CD2-CZ 3.73Å; F626-F672 HydrophobicContact CD2-CZ 3.73Å; F626-F672 HydrophobicContact CE2-CD1 4.49Å; F626-F672 HydrophobicContact CE2-CE1 4.06Å; F626-F672 HydrophobicContact CE2-CE2 4.11Å; F626-F672 AromaticContact CE2-CZ 3.85Å; F626-F672 HydrophobicContact CE2-CZ 3.85Å; F626-F672 HydrophobicContact CG-CD1 4.49Å; F626-F672 HydrophobicContact CG-CE1 4.26Å; V663-F672 WeakPolarHBondContact CA-O 3.5Å; L664-F672 PolarHBondContact N-O 3.36Å; L664-F672 PolarHBondContact O-N 3.15Å; T666-F672 HydrophobicContact CG2-CD2 3.83Å; T666-F672 HydrophobicContact CG2-CE2 3.9Å
673M97.1Very high95.2Very high14 Ų1430.7 Ų30.77%0.06916%0.158CC..EExtended strand (participates in β ladder)trans-133.2140.9170.2-45.9174.669.800109.2V624 I625 K627 L632 Y661 K662 V663 F675V624-M673 WeakPolarHBondContact CG1-O 3.38Å; I625-M673 HydrophobicContact CB-CB 4.21Å; I625-M673 PolarHBondContact N-O 3.41Å; I625-M673 PolarHBondContact O-N 3.18Å; K627-M673 HydrophobicContact CD-SD 3.56Å; K627-M673 VanDerWaalsContact CD-SD 3.56Å; K627-M673 VanDerWaalsContact CE-SD 3.52Å; K627-M673 HydrophobicContact CG-SD 4.12Å; L632-M673 HydrophobicContact CD1-CG 3.98Å; L632-M673 HydrophobicContact CD1-SD 4.48Å; Y661-M673 HydrophobicContact CE2-CE 3.65Å; K662-M673 CarbonylContact O-C 3.57Å; K662-M673 WeakPolarHBondContact O-CA 3.48Å; V663-M673 HydrophobicContact CG1-CG 4.35Å; V663-M673 HydrophobicContact CG2-CB 4.13Å; V663-M673 HydrophobicContact CG2-CE 3.97Å; V663-M673 HydrophobicContact CG2-CG 4.01Å; M673-F675 PolarHBondContact O-N 2.71Å
674Q96.5Very high95.1Very high55 Ų5529.9 Ų29.926%0.25715%0.154SC..EExtended strand (participates in β ladder)trans-66.6131.1175-179.6-177.818.900109.7L586 K662 V676L586-Q674 HydrophobicContact CD2-CB 4.19Å; K662-Q674 HydrophobicContact CB-CB 4.12Å; K662-Q674 PolarHBondContact O-N 2.85Å; Q674-V676 PolarHBondContact O-N 2.67Å
675F95.9Very high94.9Very high33 Ų3331.8 Ų31.815%0.14516%0.163CC..PPolyproline II helixtrans-83.5117.8172.3-178.3-94000109.6F603 K611 P623 I625 M673 Q677F603-F675 HydrophobicContact CE1-CE2 4.28Å; F603-F675 AromaticContact CZ-CD2 3.95Å; F603-F675 HydrophobicContact CZ-CD2 3.95Å; F603-F675 AromaticContact CZ-CE2 3.79Å; F603-F675 HydrophobicContact CZ-CE2 3.79Å; K611-F675 HydrophobicContact CD-CD2 4.16Å; K611-F675 HydrophobicContact CD-CE2 4.02Å; K611-F675 HydrophobicContact CD-CZ 4.31Å; K611-F675 HydrophobicContact CG-CD2 4.45Å; K611-F675 VanDerWaalsContact NZ-CE1 3.35Å; K611-F675 VanDerWaalsContact NZ-CZ 3.28Å; P623-F675 HydrophobicContact CB-CB 3.94Å; P623-F675 HydrophobicContact CB-CD1 3.92Å; P623-F675 HydrophobicContact CB-CG 4.22Å; P623-F675 HydrophobicContact CG-CB 4.24Å; P623-F675 HydrophobicContact CG-CD1 4.01Å; P623-F675 WeakPolarHBondContact O-CB 3.16Å; P623-F675 PolarHBondContact O-N 2.88Å; I625-F675 HydrophobicContact CD1-CD2 3.99Å; I625-F675 HydrophobicContact CG1-CB 4.08Å; I625-F675 HydrophobicContact CG1-CD2 3.97Å; M673-F675 PolarHBondContact O-N 2.71Å; F675-Q677 HydrophobicContact CE1-CB 4.48Å
676V95.4Very high94.8Very high29 Ų2935.9 Ų35.918%0.17620%0.197CC..PPolyproline II helixtrans-98.2131.7171.1-178.80000108.6T659 Q674 S678 T743 F749T659-V676 HydrophobicContact CG2-CG1 4.4Å; T659-V676 HydrophobicContact CG2-CG2 4.34Å; Q674-V676 PolarHBondContact O-N 2.67Å; V676-S678 PolarHBondContact O-N 3.16Å; V676-S678 PolarHBondContact O-OG 3.01Å; V676-T743 HydrophobicContact CG1-CG2 4.29Å; V676-F749 HydrophobicContact CB-CE1 4.48Å; V676-F749 HydrophobicContact CB-CE2 4.29Å; V676-F749 HydrophobicContact CB-CZ 3.74Å; V676-F749 HydrophobicContact CG1-CE1 3.89Å; V676-F749 HydrophobicContact CG1-CZ 3.65Å; V676-F749 HydrophobicContact CG2-CZ 4.39Å
677Q94.5Very high94.8Very high136 Ų13640.1 Ų40.164%0.63622%0.223SC*.  trans-7399.9178-174.66054.200110.4F675F675-Q677 HydrophobicContact CE1-CB 4.48Å
678S95.2Very high94.7Very high23 Ų2342.2 Ų42.216%0.16123%0.232CC..  trans-150.6170.9-17454.80000112.1V676 L741 L742 F749V676-S678 PolarHBondContact O-N 3.16Å; V676-S678 PolarHBondContact O-OG 3.01Å; S678-L741 WeakPolarHBondContact OG-CD1 3.32Å; S678-L742 CarbonylContact C-O 3.54Å; S678-L742 WeakPolarHBondContact CA-O 3.25Å; S678-L742 WeakPolarHBondContact CB-O 3.49Å; S678-F749 WeakPolarHBondContact OG-CZ 3.45Å
679V95.3Very high94.8Very high31 Ų3144 Ų4419%0.18825%0.254CS..EExtended strand (participates in β ladder)trans-127136.8177.8-173.70000108.9E683 V684 F694 L742V679-E683 HydrophobicContact CG1-CB 3.96Å; V679-E683 HydrophobicContact CG1-CG 3.98Å; V679-V684 HydrophobicContact CB-CG2 4.12Å; V679-V684 HydrophobicContact CG1-CG2 3.86Å; V679-F694 HydrophobicContact CG2-CE2 4.5Å; V679-L742 PolarHBondContact N-O 3.41Å; V679-L742 PolarHBondContact O-N 3.18Å
680P95.6Very high94.9Very high34 Ų3442.4 Ų42.422%0.22125%0.25CS..EExtended strand (participates in β ladder)trans-60.8142.5173.7-20.731.9000112.5A682 E683 V684 L740 L741P680-A682 PolarHBondContact O-N 3.42Å; P680-E683 HydrophobicContact CB-CB 4.39Å; P680-E683 WeakPolarHBondContact O-CB 3.41Å; P680-E683 PolarHBondContact O-N 2.96Å; P680-V684 PolarHBondContact O-N 3.44Å; P680-L740 CarbonylContact C-O 3.11Å; P680-L740 WeakPolarHBondContact CA-O 3.39Å; P680-L741 HydrophobicContact CB-CD2 3.93Å; P680-L741 HydrophobicContact CG-CD2 3.74Å
681V94.8Very high94.9Very high0 Ų041.7 Ų41.70%025%0.247CC..Hα-helixtrans-59.9-37.8178.4173.70000110.6E683 V684 L685 I691 L737 L740 L742 L748V681-E683 VanDerWaalsContact C-N 3.29Å; V681-E683 PolarHBondContact O-N 3.33Å; V681-V684 WeakPolarHBondContact O-CB 3.38Å; V681-V684 PolarHBondContact O-N 3.32Å; V681-L685 HydrophobicContact CG1-CD1 4.08Å; V681-L685 HydrophobicContact CG1-CG 4.27Å; V681-L685 VanDerWaalsContact O-CG 3.28Å; V681-L685 WeakPolarHBondContact O-CG 3.5Å; V681-L685 PolarHBondContact O-N 3.44Å; V681-I691 HydrophobicContact CG1-CD1 4.11Å; V681-I691 HydrophobicContact CG1-CG1 4.43Å; V681-L737 HydrophobicContact CG1-CD2 4.04Å; V681-L737 PolarHBondContact N-O 2.95Å; V681-L740 HydrophobicContact CB-CB 4.21Å; V681-L740 HydrophobicContact CG2-CB 3.77Å; V681-L740 WeakPolarHBondContact CG2-O 3.37Å; V681-L740 PolarHBondContact N-O 3.05Å; V681-L742 HydrophobicContact CG2-CB 4.39Å; V681-L748 HydrophobicContact CG2-CD1 3.91Å
682A93.8Very high94.8Very high25 Ų2543.1 Ų43.121%0.20725%0.253CS..Hα-helixtrans-55.7-42.5174.100000112.9P680 L685 A686 L737 D738P680-A682 PolarHBondContact O-N 3.42Å; A682-L685 PolarHBondContact O-N 3.33Å; A682-A686 WeakPolarHBondContact O-CB 3.32Å; A682-A686 PolarHBondContact O-N 3.47Å; A682-A686 VanDerWaalsContact O-N 3.09Å; A682-L737 HydrophobicContact CB-CB 3.91Å; A682-L737 PolarHBondContact N-O 3.23Å; A682-D738 VanDerWaalsContact CB-OD1 3.31Å; A682-D738 WeakPolarHBondContact CB-OD1 3.15Å
683E94.8Very high94.6Very high106 Ų10644.5 Ų44.550%0.49526%0.263SS..Hα-helixtrans-71.1-38.6177.6-175.9179163.600111.6V679 P680 V681 L685 A686 T687V679-E683 HydrophobicContact CG1-CB 3.96Å; V679-E683 HydrophobicContact CG1-CG 3.98Å; P680-E683 HydrophobicContact CB-CB 4.39Å; P680-E683 WeakPolarHBondContact O-CB 3.41Å; P680-E683 PolarHBondContact O-N 2.96Å; V681-E683 VanDerWaalsContact C-N 3.29Å; V681-E683 PolarHBondContact O-N 3.33Å; E683-L685 VanDerWaalsContact C-N 3.31Å; E683-L685 PolarHBondContact O-N 3.43Å; E683-A686 PolarHBondContact O-N 3.24Å; E683-T687 HydrophobicContact CG-CG2 4.33Å; E683-T687 WeakPolarHBondContact O-CB 3.22Å; E683-T687 WeakPolarHBondContact O-CG2 3.33Å; E683-T687 PolarHBondContact O-N 2.87Å; E683-T687 PolarHBondContact O-OG1 3.01Å
684V94.9Very high94.5Very high0 Ų044.2 Ų44.20%026%0.262CS..Hα-helixtrans-58-44.6174.2168.80000111.1V679 P680 V681 T687 E688 F694 L742V679-V684 HydrophobicContact CB-CG2 4.12Å; V679-V684 HydrophobicContact CG1-CG2 3.86Å; P680-V684 PolarHBondContact O-N 3.44Å; V681-V684 WeakPolarHBondContact O-CB 3.38Å; V681-V684 PolarHBondContact O-N 3.32Å; V684-T687 PolarHBondContact O-N 3.26Å; V684-T687 PolarHBondContact O-OG1 2.95Å; V684-E688 WeakPolarHBondContact O-CA 3.43Å; V684-E688 WeakPolarHBondContact O-CB 3.39Å; V684-E688 PolarHBondContact O-N 3.27Å; V684-F694 HydrophobicContact CG1-CB 3.55Å; V684-F694 HydrophobicContact CG1-CD1 4.5Å; V684-F694 HydrophobicContact CG1-CD2 4.22Å; V684-F694 HydrophobicContact CG1-CG 3.86Å; V684-F694 HydrophobicContact CG2-CD2 3.98Å; V684-F694 HydrophobicContact CG2-CE2 4.16Å; V684-F694 HydrophobicContact CG2-CG 4.18Å; V684-L742 HydrophobicContact CG2-CD2 4.49Å
685L94.1Very high94.5Very high39 Ų3941.6 Ų41.620%0.20425%0.249CC..Hα-helixtrans-68.2-38.9178.5-63.1171.1000112.1V681 A682 E683 T687 G689 I691 L737 E773V681-L685 HydrophobicContact CG1-CD1 4.08Å; V681-L685 HydrophobicContact CG1-CG 4.27Å; V681-L685 VanDerWaalsContact O-CG 3.28Å; V681-L685 WeakPolarHBondContact O-CG 3.5Å; V681-L685 PolarHBondContact O-N 3.44Å; A682-L685 PolarHBondContact O-N 3.33Å; E683-L685 VanDerWaalsContact C-N 3.31Å; E683-L685 PolarHBondContact O-N 3.43Å; L685-T687 VanDerWaalsContact C-N 3.33Å; L685-T687 PolarHBondContact O-N 3.5Å; L685-G689 WeakPolarHBondContact O-CA 3.42Å; L685-G689 PolarHBondContact O-N 2.92Å; L685-I691 HydrophobicContact CD2-CG1 4.49Å; L685-L737 HydrophobicContact CD1-CD1 3.64Å; L685-E773 HydrophobicContact CD1-CB 4.17Å; L685-E773 HydrophobicContact CD1-CG 3.72Å; L685-E773 HydrophobicContact CD2-CB 4.34Å; L685-E773 HydrophobicContact CD2-CG 4.31Å
686A93.8Very high94.4Very high87 Ų8744.7 Ų44.772%0.71926%0.26SS*.Hα-helixtrans-67.2-33.1178.200000113A682 E683A682-A686 WeakPolarHBondContact O-CB 3.32Å; A682-A686 PolarHBondContact O-N 3.47Å; A682-A686 VanDerWaalsContact O-N 3.09Å; E683-A686 PolarHBondContact O-N 3.24Å
687T93.8Very high94.3Very high89 Ų8949.5 Ų49.555%0.54628%0.279SS..Hα-helixtrans-97-41.9-173.852.40000113.6E683 V684 L685E683-T687 HydrophobicContact CG-CG2 4.33Å; E683-T687 WeakPolarHBondContact O-CB 3.22Å; E683-T687 WeakPolarHBondContact O-CG2 3.33Å; E683-T687 PolarHBondContact O-N 2.87Å; E683-T687 PolarHBondContact O-OG1 3.01Å; V684-T687 PolarHBondContact O-N 3.26Å; V684-T687 PolarHBondContact O-OG1 2.95Å; L685-T687 VanDerWaalsContact C-N 3.33Å; L685-T687 PolarHBondContact O-N 3.5Å
688E92.7Very high94.3Very high52 Ų5246.3 Ų46.324%0.24326%0.264CS..Hα-helixtrans-111.4-1.8-174.6-50-66.6169.300112.8V684 N690 S693 F694 K697V684-E688 WeakPolarHBondContact O-CA 3.43Å; V684-E688 WeakPolarHBondContact O-CB 3.39Å; V684-E688 PolarHBondContact O-N 3.27Å; E688-N690 PolarHBondContact O-N 3.15Å; E688-S693 WeakPolarHBondContact O-CB 3.44Å; E688-F694 HydrophobicContact CB-CB 4.19Å; E688-F694 HydrophobicContact CG-CB 4.04Å; E688-F694 HydrophobicContact CG-CD2 4.14Å; E688-K697 WeakPolarHBondContact OE1-CD 3.44Å; E688-K697 IonicContact OE1-NZ 3.43Å; E688-K697 PolarHBondContact OE1-NZ 2.77Å; E688-K697 WeakPolarHBondContact OE2-CD 3.45Å; E688-K697 IonicContact OE2-NZ 3.66Å; E688-K697 PolarHBondContact OE2-NZ 2.85Å
689G91.4Very high94.2Very high53 Ų5346.1 Ų46.155%0.54626%0.263SS..SBendtrans79.8-45.3178.900000114.5L685L685-G689 WeakPolarHBondContact O-CA 3.42Å; L685-G689 PolarHBondContact O-N 2.92Å
690N93.1Very high94.1Very high68 Ų6849.1 Ų49.136%0.36428%0.284SS..SBendtrans-148.1161.1176.960.659.1000112.8E688 Q692 S693 F694E688-N690 PolarHBondContact O-N 3.15Å; N690-Q692 VanDerWaalsContact C-N 3.29Å; N690-Q692 PolarHBondContact O-N 3.44Å; N690-Q692 PolarHBondContact OD1-N 3Å; N690-S693 PolarHBondContact ND2-OG 2.96Å; N690-S693 PolarHBondContact O-N 3.46Å; N690-S693 VanDerWaalsContact OD1-CB 3.31Å; N690-S693 WeakPolarHBondContact OD1-CB 3.49Å; N690-S693 PolarHBondContact OD1-N 3.29Å; N690-S693 PolarHBondContact OD1-OG 3.49Å; N690-F694 PolarHBondContact O-N 2.89Å
691I94.9Very high94Very high2 Ų249.3 Ų49.31%0.0129%0.285CS..Hα-helixtrans-59.6-38.9-178.3-64.1178000111.7V681 L685 S693 F694 F695 Y716 L742V681-I691 HydrophobicContact CG1-CD1 4.11Å; V681-I691 HydrophobicContact CG1-CG1 4.43Å; L685-I691 HydrophobicContact CD2-CG1 4.49Å; I691-S693 VanDerWaalsContact C-N 3.34Å; I691-S693 PolarHBondContact O-N 2.89Å; I691-F694 WeakPolarHBondContact O-CB 3.39Å; I691-F694 PolarHBondContact O-N 2.86Å; I691-F695 HydrophobicContact CG2-CD2 3.84Å; I691-F695 HydrophobicContact CG2-CE2 3.4Å; I691-F695 HydrophobicContact CG2-CZ 3.98Å; I691-F695 PolarHBondContact O-N 3.37Å; I691-F695 VanDerWaalsContact O-N 3.09Å; I691-Y716 HydrophobicContact CG2-CE2 4.17Å; I691-L742 HydrophobicContact CG2-CD2 3.9Å
692Q94.8Very high93.6Very high29 Ų2958.7 Ų58.714%0.13633%0.329CS..Hα-helixtrans-63.6-39.6179.9-66.6-170.5-16.700112.4N690 F694 F695 R696 I708 E776 G777N690-Q692 VanDerWaalsContact C-N 3.29Å; N690-Q692 PolarHBondContact O-N 3.44Å; N690-Q692 PolarHBondContact OD1-N 3Å; Q692-F694 VanDerWaalsContact C-N 3.35Å; Q692-F695 PolarHBondContact O-N 3.39Å; Q692-R696 WeakPolarHBondContact O-CB 3.35Å; Q692-R696 PolarHBondContact O-N 2.86Å; Q692-I708 HydrophobicContact CB-CD1 4.02Å; Q692-I708 HydrophobicContact CG-CD1 4.35Å; Q692-I708 WeakPolarHBondContact O-CD1 3.43Å; Q692-E776 PolarHBondContact NE2-O 2.85Å; Q692-G777 VanDerWaalsContact CG-O 3.3Å; Q692-G777 WeakPolarHBondContact CG-O 3.27Å; Q692-G777 PolarHBondContact NE2-O 2.98Å
693S94.1Very high93.3Very high30 Ų3067.2 Ų67.221%0.2136%0.362CS..Hα-helixtrans-67.6-38.4179.7-590000111.2E688 N690 I691 R696 K697E688-S693 WeakPolarHBondContact O-CB 3.44Å; N690-S693 PolarHBondContact ND2-OG 2.96Å; N690-S693 PolarHBondContact O-N 3.46Å; N690-S693 VanDerWaalsContact OD1-CB 3.31Å; N690-S693 WeakPolarHBondContact OD1-CB 3.49Å; N690-S693 PolarHBondContact OD1-N 3.29Å; N690-S693 PolarHBondContact OD1-OG 3.49Å; I691-S693 VanDerWaalsContact C-N 3.34Å; I691-S693 PolarHBondContact O-N 2.89Å; S693-R696 PolarHBondContact O-N 3Å; S693-K697 WeakPolarHBondContact O-CB 3.21Å; S693-K697 PolarHBondContact O-N 2.85Å
694F95.3Very high92.8Very high7 Ų762.6 Ų62.63%0.03134%0.342CS..Hα-helixtrans-59.1-46.9171.2172.8-96.2000112.4V679 V684 E688 N690 I691 Q692 K697 H698 L742 K744V679-F694 HydrophobicContact CG2-CE2 4.5Å; V684-F694 HydrophobicContact CG1-CB 3.55Å; V684-F694 HydrophobicContact CG1-CD1 4.5Å; V684-F694 HydrophobicContact CG1-CD2 4.22Å; V684-F694 HydrophobicContact CG1-CG 3.86Å; V684-F694 HydrophobicContact CG2-CD2 3.98Å; V684-F694 HydrophobicContact CG2-CE2 4.16Å; V684-F694 HydrophobicContact CG2-CG 4.18Å; E688-F694 HydrophobicContact CB-CB 4.19Å; E688-F694 HydrophobicContact CG-CB 4.04Å; E688-F694 HydrophobicContact CG-CD2 4.14Å; N690-F694 PolarHBondContact O-N 2.89Å; I691-F694 WeakPolarHBondContact O-CB 3.39Å; I691-F694 PolarHBondContact O-N 2.86Å; Q692-F694 VanDerWaalsContact C-N 3.35Å; F694-K697 PolarHBondContact O-N 2.91Å; F694-H698 AromaticContact CD2-CE1 3.57Å; F694-H698 AromaticContact CD2-ND1 3.66Å; F694-H698 AromaticContact CE2-CE1 3.32Å; F694-H698 WeakPolarHBondContact CE2-CE1 3.36Å; F694-H698 AromaticContact CE2-ND1 3.58Å; F694-H698 AromaticContact CZ-CE1 3.98Å; F694-H698 AromaticContact CZ-ND1 3.93Å; F694-H698 PolarHBondContact O-N 3.2Å; F694-H698 PolarHBondContact O-ND1 2.88Å; F694-L742 HydrophobicContact CD1-CD2 3.72Å; F694-L742 HydrophobicContact CE1-CD2 3.87Å; F694-L742 HydrophobicContact CE1-CG 4.2Å; F694-K744 HydrophobicContact CZ-CG 4.18Å
695F95.6Very high92.3Very high0 Ų064.2 Ų64.20%035%0.353CS..Hα-helixtrans-67.9-39.3177.2-67.9-37.3000112.8I691 Q692 K697 H698 A699 I708 V712 M713 Y716 L742I691-F695 HydrophobicContact CG2-CD2 3.84Å; I691-F695 HydrophobicContact CG2-CE2 3.4Å; I691-F695 HydrophobicContact CG2-CZ 3.98Å; I691-F695 PolarHBondContact O-N 3.37Å; I691-F695 VanDerWaalsContact O-N 3.09Å; Q692-F695 PolarHBondContact O-N 3.39Å; F695-K697 PolarHBondContact O-N 2.87Å; F695-H698 PolarHBondContact O-N 2.84Å; F695-A699 CarbonylContact O-C 3.55Å; F695-A699 WeakPolarHBondContact O-CA 3.36Å; F695-A699 PolarHBondContact O-N 2.82Å; F695-I708 HydrophobicContact CB-CD1 3.87Å; F695-I708 HydrophobicContact CB-CG1 4.05Å; F695-I708 HydrophobicContact CB-CG2 3.71Å; F695-V712 HydrophobicContact CB-CG1 4.39Å; F695-V712 HydrophobicContact CD1-CG1 3.87Å; F695-V712 HydrophobicContact CE1-CG1 4.23Å; F695-V712 HydrophobicContact CG-CG1 4.07Å; F695-M713 HydrophobicContact CD2-CE 4.49Å; F695-Y716 HydrophobicContact CE2-CD1 4.14Å; F695-Y716 AromaticContact CE2-CD2 3.77Å; F695-Y716 HydrophobicContact CE2-CD2 3.77Å; F695-Y716 HydrophobicContact CE2-CE2 4.32Å; F695-Y716 AromaticContact CE2-CG 3.66Å; F695-Y716 HydrophobicContact CE2-CG 3.66Å; F695-Y716 AromaticContact CZ-CD2 3.71Å; F695-Y716 HydrophobicContact CZ-CD2 3.71Å; F695-Y716 HydrophobicContact CZ-CE2 4.41Å; F695-Y716 AromaticContact CZ-CG 3.95Å; F695-Y716 HydrophobicContact CZ-CG 3.95Å; F695-L742 HydrophobicContact CE1-CD1 4.03Å; F695-L742 HydrophobicContact CE1-CD2 3.68Å; F695-L742 HydrophobicContact CE1-CG 3.84Å; F695-L742 HydrophobicContact CE2-CD2 4.44Å; F695-L742 HydrophobicContact CZ-CD1 3.59Å; F695-L742 HydrophobicContact CZ-CD2 3.63Å; F695-L742 HydrophobicContact CZ-CG 3.86Å
696R94.4Very high92.1Very high99 Ų9966.5 Ų66.537%0.37436%0.36SS..Hα-helixtrans-61.1-36.1177-168.3-177.6-57112.15.2111.7Q692 S693 P700 Y706 I708Q692-R696 WeakPolarHBondContact O-CB 3.35Å; Q692-R696 PolarHBondContact O-N 2.86Å; S693-R696 PolarHBondContact O-N 3Å; R696-P700 WeakPolarHBondContact O-CB 3.3Å; R696-P700 WeakPolarHBondContact O-CD 3.43Å; R696-Y706 PolarHBondContact NE-O 2.71Å; R696-Y706 PolarHBondContact NH2-O 2.81Å; R696-I708 HydrophobicContact CB-CG1 4.13Å
697K93.8Very high91.9Very high130 Ų13063.7 Ų63.757%0.56534%0.339SS*.Hα-helixtrans-68.6-37176.6-177.7176.1-179.9175.70113.2E688 S693 F694 F695E688-K697 WeakPolarHBondContact OE1-CD 3.44Å; E688-K697 IonicContact OE1-NZ 3.43Å; E688-K697 PolarHBondContact OE1-NZ 2.77Å; E688-K697 WeakPolarHBondContact OE2-CD 3.45Å; E688-K697 IonicContact OE2-NZ 3.66Å; E688-K697 PolarHBondContact OE2-NZ 2.85Å; S693-K697 WeakPolarHBondContact O-CB 3.21Å; S693-K697 PolarHBondContact O-N 2.85Å; F694-K697 PolarHBondContact O-N 2.91Å; F695-K697 PolarHBondContact O-N 2.87Å
698H93.4Very high91.9Very high69 Ų6959.4 Ų59.432%0.31931%0.313SS..Hα-helixtrans-98-24.9-173.7-67.593.9000114.2F694 F695 K744F694-H698 AromaticContact CD2-CE1 3.57Å; F694-H698 AromaticContact CD2-ND1 3.66Å; F694-H698 AromaticContact CE2-CE1 3.32Å; F694-H698 WeakPolarHBondContact CE2-CE1 3.36Å; F694-H698 AromaticContact CE2-ND1 3.58Å; F694-H698 AromaticContact CZ-CE1 3.98Å; F694-H698 AromaticContact CZ-ND1 3.93Å; F694-H698 PolarHBondContact O-N 3.2Å; F694-H698 PolarHBondContact O-ND1 2.88Å; F695-H698 PolarHBondContact O-N 2.84Å; H698-K744 HydrophobicContact CB-CB 4.34Å; H698-K744 HydrophobicContact CB-CG 4.48Å
699A93.3Very high92.1Very high18 Ų1858.4 Ų58.415%0.14931%0.311CS..SBendtrans-144.262.9-177.800000111.4F695 S709 V712F695-A699 CarbonylContact O-C 3.55Å; F695-A699 WeakPolarHBondContact O-CA 3.36Å; F695-A699 PolarHBondContact O-N 2.82Å; A699-S709 PolarHBondContact O-N 3.5Å; A699-V712 HydrophobicContact CB-CB 4.35Å; A699-V712 HydrophobicContact CB-CG1 4.44Å; A699-V712 HydrophobicContact CB-CG2 3.72Å
700P93.8Very high92.2Very high95 Ų9559.1 Ų59.162%0.61731%0.307SS*.BIsolated β-bridgetrans-66.2144.3179.227.7-33.9000111.8R696 G707R696-P700 WeakPolarHBondContact O-CB 3.3Å; R696-P700 WeakPolarHBondContact O-CD 3.43Å; P700-G707 WeakPolarHBondContact CA-O 3.26Å
701S93.2Very high92.3Very high37 Ų3762.9 Ų62.926%0.25932%0.322SS..  trans-151128.4171.8-179.10000111.3K703 G704 G707S701-K703 PolarHBondContact O-N 2.98Å; S701-G704 PolarHBondContact O-N 3.41Å; S701-G704 PolarHBondContact OG-N 3.4Å; S701-G707 PolarHBondContact N-O 2.95Å; S701-G707 CarbonylContact O-C 3.58Å; S701-G707 VanDerWaalsContact O-CA 3.23Å; S701-G707 WeakPolarHBondContact O-CA 3.27Å
702E86.1Confident92.4Very high198 Ų19863.4 Ų63.493%0.92533%0.325SS*.THydrogen-bonded Turntrans-68.9-32.3-179.6-65.5-176.9170.900113.3
703K87.3Confident92.5Very high203 Ų20362.2 Ų62.288%0.88332%0.32SS*.THydrogen-bonded Turntrans-97-1.6-178.6-62.6-175.5-178.9179.90113.1S701S701-K703 PolarHBondContact O-N 2.98Å
704G84.5Confident92.6Very high9 Ų963.5 Ų63.59%0.09332%0.324CS..SBendtrans-93.8158.2-174.100000113.4S701 Y706 G707 I708S701-G704 PolarHBondContact O-N 3.41Å; S701-G704 PolarHBondContact OG-N 3.4Å; G704-Y706 PolarHBondContact O-N 3.1Å; G704-G707 PolarHBondContact O-N 3.18Å; G704-G707 VanDerWaalsContact O-N 3.16Å; G704-I708 CarbonylContact C-O 3.51Å; G704-I708 WeakPolarHBondContact CA-O 3.34Å
705P85.3Confident92.7Very high34 Ų3463.7 Ų63.722%0.22133%0.326CS..G310 helixtrans-59130.9-178.326.3-34.6000110.4G707 I708 M713P705-G707 PolarHBondContact O-N 3.27Å; P705-G707 VanDerWaalsContact O-N 3.1Å; P705-I708 WeakPolarHBondContact CD-O 3.36Å; P705-I708 WeakPolarHBondContact O-CB 3.36Å; P705-I708 PolarHBondContact O-N 3.46Å; P705-M713 HydrophobicContact CG-CB 3.95Å; P705-M713 HydrophobicContact CG-CG 3.95Å
706Y89.2Confident92.8Very high87 Ų8763.7 Ų63.734%0.34133%0.326SS..G310 helixtrans58.121.2179.9-44.6-72000115.1R696 G704 M713 M778 G779 S783 Q785R696-Y706 PolarHBondContact NE-O 2.71Å; R696-Y706 PolarHBondContact NH2-O 2.81Å; G704-Y706 PolarHBondContact O-N 3.1Å; Y706-M713 HydrophobicContact CD2-CE 4.26Å; Y706-M778 WeakPolarHBondContact CE2-O 3.25Å; Y706-G779 WeakPolarHBondContact OH-CA 3.35Å; Y706-S783 WeakPolarHBondContact OH-CB 3.46Å; Y706-Q785 PolarHBondContact OH-OE1 3.36Å
707G90.9Very high92.9Very high28 Ų2859.2 Ų59.229%0.28931%0.31SS..G310 helixtrans79.417.9-176.300000114.1P700 S701 G704 P705P700-G707 WeakPolarHBondContact CA-O 3.26Å; S701-G707 PolarHBondContact N-O 2.95Å; S701-G707 CarbonylContact O-C 3.58Å; S701-G707 VanDerWaalsContact O-CA 3.23Å; S701-G707 WeakPolarHBondContact O-CA 3.27Å; G704-G707 PolarHBondContact O-N 3.18Å; G704-G707 VanDerWaalsContact O-N 3.16Å; P705-G707 PolarHBondContact O-N 3.27Å; P705-G707 VanDerWaalsContact O-N 3.1Å
708I93.9Very high93.2Very high0 Ų055.1 Ų55.10%029%0.292CS..BIsolated β-bridgetrans-114.7144.9-173.7-59161.6000109.3Q692 F695 R696 G704 P705 V712 M713Q692-I708 HydrophobicContact CB-CD1 4.02Å; Q692-I708 HydrophobicContact CG-CD1 4.35Å; Q692-I708 WeakPolarHBondContact O-CD1 3.43Å; F695-I708 HydrophobicContact CB-CD1 3.87Å; F695-I708 HydrophobicContact CB-CG1 4.05Å; F695-I708 HydrophobicContact CB-CG2 3.71Å; R696-I708 HydrophobicContact CB-CG1 4.13Å; G704-I708 CarbonylContact C-O 3.51Å; G704-I708 WeakPolarHBondContact CA-O 3.34Å; P705-I708 WeakPolarHBondContact CD-O 3.36Å; P705-I708 WeakPolarHBondContact O-CB 3.36Å; P705-I708 PolarHBondContact O-N 3.46Å; I708-V712 HydrophobicContact CG2-CB 4.31Å; I708-V712 HydrophobicContact CG2-CG1 4.19Å; I708-M713 HydrophobicContact CB-CE 4.32Å; I708-M713 HydrophobicContact CD1-CE 3.42Å; I708-M713 VanDerWaalsContact CD1-CE 3.42Å; I708-M713 HydrophobicContact CG1-CE 4.47Å; I708-M713 HydrophobicContact CG2-CE 4.29Å
709S95.6Very high93.4Very high30 Ų3051.8 Ų51.821%0.2128%0.277CS..  trans-48.6127172.8177.20000112.1A699 E711 V712 M713A699-S709 PolarHBondContact O-N 3.5Å; S709-E711 PolarHBondContact O-N 2.82Å; S709-V712 PolarHBondContact O-N 3.34Å; S709-V712 VanDerWaalsContact O-N 3.11Å; S709-M713 PolarHBondContact O-N 2.75Å; S709-M713 VanDerWaalsContact O-N 3.08Å
710P94.3Very high93.5Very high69 Ų6951 Ų5145%0.44827%0.269SS..Hα-helixtrans-54.6-37177-26.433.9000113.4M713 D714P710-M713 PolarHBondContact O-N 3.45Å; P710-D714 VanDerWaalsContact O-CB 3.28Å; P710-D714 WeakPolarHBondContact O-CB 3.37Å; P710-D714 PolarHBondContact O-N 3.23Å
711E95.5Very high93.7Very high147 Ų14746.4 Ų46.469%0.68724%0.24SC*.Hα-helixtrans-65.7-39.6179-176-177.6-177.900112.3S709 T715S709-E711 PolarHBondContact O-N 2.82Å; E711-T715 VanDerWaalsContact O-CB 3.3Å; E711-T715 WeakPolarHBondContact O-CB 3.49Å; E711-T715 PolarHBondContact O-N 2.83Å; E711-T715 PolarHBondContact O-OG1 2.9Å
712V96.3Very high93.9Very high13 Ų1344.7 Ų44.78%0.07923%0.228CC..Hα-helixtrans-69.6-41.7178.3170.80000110.4F695 A699 I708 S709 T715 Y716F695-V712 HydrophobicContact CB-CG1 4.39Å; F695-V712 HydrophobicContact CD1-CG1 3.87Å; F695-V712 HydrophobicContact CE1-CG1 4.23Å; F695-V712 HydrophobicContact CG-CG1 4.07Å; A699-V712 HydrophobicContact CB-CB 4.35Å; A699-V712 HydrophobicContact CB-CG1 4.44Å; A699-V712 HydrophobicContact CB-CG2 3.72Å; I708-V712 HydrophobicContact CG2-CB 4.31Å; I708-V712 HydrophobicContact CG2-CG1 4.19Å; S709-V712 PolarHBondContact O-N 3.34Å; S709-V712 VanDerWaalsContact O-N 3.11Å; V712-T715 PolarHBondContact O-N 3.46Å; V712-Y716 WeakPolarHBondContact O-CB 3.31Å; V712-Y716 PolarHBondContact O-N 3.33Å
713M96.1Very high94.4Very high3 Ų335.2 Ų35.22%0.01518%0.184CC..Hα-helixtrans-66.6-42.5176.5-170.657.164.400111.8F695 P705 Y706 I708 S709 P710 Y716 V717 Q785F695-M713 HydrophobicContact CD2-CE 4.49Å; P705-M713 HydrophobicContact CG-CB 3.95Å; P705-M713 HydrophobicContact CG-CG 3.95Å; Y706-M713 HydrophobicContact CD2-CE 4.26Å; I708-M713 HydrophobicContact CB-CE 4.32Å; I708-M713 HydrophobicContact CD1-CE 3.42Å; I708-M713 VanDerWaalsContact CD1-CE 3.42Å; I708-M713 HydrophobicContact CG1-CE 4.47Å; I708-M713 HydrophobicContact CG2-CE 4.29Å; S709-M713 PolarHBondContact O-N 2.75Å; S709-M713 VanDerWaalsContact O-N 3.08Å; P710-M713 PolarHBondContact O-N 3.45Å; M713-Y716 PolarHBondContact O-N 2.94Å; M713-Y716 HydrophobicContact SD-CD1 4.11Å; M713-V717 WeakPolarHBondContact O-CG2 3.39Å; M713-V717 PolarHBondContact O-N 3.44Å; M713-Q785 HydrophobicContact CG-CG 3.9Å
714D96.4Very high94.8Very high57 Ų5725.6 Ų25.631%0.30514%0.142SC..Hα-helixtrans-60.1-45.1173.7177.668.9000111.6P710 Y716 V717 K718P710-D714 VanDerWaalsContact O-CB 3.28Å; P710-D714 WeakPolarHBondContact O-CB 3.37Å; P710-D714 PolarHBondContact O-N 3.23Å; D714-Y716 VanDerWaalsContact C-N 3.31Å; D714-Y716 PolarHBondContact O-N 2.94Å; D714-V717 PolarHBondContact O-N 2.94Å; D714-K718 VanDerWaalsContact CG-NZ 3.27Å; D714-K718 WeakPolarHBondContact O-CB 3.46Å; D714-K718 WeakPolarHBondContact O-CG 3.33Å; D714-K718 PolarHBondContact O-N 3.24Å; D714-K718 WeakPolarHBondContact OD1-CE 3.31Å; D714-K718 IonicContact OD1-NZ 3.93Å; D714-K718 PolarHBondContact OD1-NZ 3.48Å; D714-K718 WeakPolarHBondContact OD2-CD 3.33Å; D714-K718 WeakPolarHBondContact OD2-CE 3.19Å; D714-K718 IonicContact OD2-NZ 3.16Å; D714-K718 PolarHBondContact OD2-NZ 3.32Å
715T97.7Very high95.4Very high12 Ų1225.1 Ų25.17%0.07414%0.137CC..Hα-helixtrans-60.8-41176.1-62.20000111.7K657 E711 V712 S719 K747K657-T715 HydrophobicContact CB-CG2 3.98Å; K657-T715 HydrophobicContact CG-CG2 4.21Å; E711-T715 VanDerWaalsContact O-CB 3.3Å; E711-T715 WeakPolarHBondContact O-CB 3.49Å; E711-T715 PolarHBondContact O-N 2.83Å; E711-T715 PolarHBondContact O-OG1 2.9Å; V712-T715 PolarHBondContact O-N 3.46Å; T715-S719 VanDerWaalsContact O-CB 3.27Å; T715-S719 WeakPolarHBondContact O-CB 3.21Å; T715-S719 PolarHBondContact O-N 3.48Å; T715-S719 PolarHBondContact O-OG 2.9Å; T715-K747 HydrophobicContact CG2-CB 4.35Å; T715-K747 HydrophobicContact CG2-CG 3.52Å
716Y97.7Very high95.9Very high0 Ų023.6 Ų23.60%013%0.127CC..Hα-helixtrans-64.7-49.3176.1174.6-108000112.4I691 F695 V712 M713 D714 K718 S719 C720 L742 G746 L748 M774 M778I691-Y716 HydrophobicContact CG2-CE2 4.17Å; F695-Y716 HydrophobicContact CE2-CD1 4.14Å; F695-Y716 AromaticContact CE2-CD2 3.77Å; F695-Y716 HydrophobicContact CE2-CD2 3.77Å; F695-Y716 HydrophobicContact CE2-CE2 4.32Å; F695-Y716 AromaticContact CE2-CG 3.66Å; F695-Y716 HydrophobicContact CE2-CG 3.66Å; F695-Y716 AromaticContact CZ-CD2 3.71Å; F695-Y716 HydrophobicContact CZ-CD2 3.71Å; F695-Y716 HydrophobicContact CZ-CE2 4.41Å; F695-Y716 AromaticContact CZ-CG 3.95Å; F695-Y716 HydrophobicContact CZ-CG 3.95Å; V712-Y716 WeakPolarHBondContact O-CB 3.31Å; V712-Y716 PolarHBondContact O-N 3.33Å; M713-Y716 PolarHBondContact O-N 2.94Å; M713-Y716 HydrophobicContact SD-CD1 4.11Å; D714-Y716 VanDerWaalsContact C-N 3.31Å; D714-Y716 PolarHBondContact O-N 2.94Å; Y716-K718 PolarHBondContact O-N 2.97Å; Y716-S719 PolarHBondContact O-OG 3.39Å; Y716-C720 WeakPolarHBondContact O-CB 3.42Å; Y716-C720 PolarHBondContact O-N 2.87Å; Y716-L742 HydrophobicContact CD2-CD1 3.94Å; Y716-L742 HydrophobicContact CE2-CD1 4.13Å; Y716-G746 WeakPolarHBondContact CA-O 3.14Å; Y716-G746 VanDerWaalsContact CB-O 3.31Å; Y716-G746 WeakPolarHBondContact CB-O 3.43Å; Y716-G746 PolarHBondContact N-O 3.2Å; Y716-L748 HydrophobicContact CD2-CB 4.24Å; Y716-L748 HydrophobicContact CE2-CB 4.29Å; Y716-L748 HydrophobicContact CE2-CD1 4.48Å; Y716-L748 HydrophobicContact CE2-CD2 4.41Å; Y716-M774 VanDerWaalsContact OH-CA 3.24Å; Y716-M774 WeakPolarHBondContact OH-CA 3.35Å; Y716-M774 PolarHBondContact OH-O 3.29Å; Y716-M778 HydrophobicContact CD1-CG 4.39Å; Y716-M778 HydrophobicContact CE1-CE 4.34Å; Y716-M778 HydrophobicContact CE1-CG 3.81Å
717V97.8Very high96.1Very high4 Ų419.5 Ų19.52%0.02411%0.111CC..Hα-helixtrans-58.4-48.3177.9167.70000111.1M713 D714 A721 M778 Q785 E788 F789M713-V717 WeakPolarHBondContact O-CG2 3.39Å; M713-V717 PolarHBondContact O-N 3.44Å; D714-V717 PolarHBondContact O-N 2.94Å; V717-A721 WeakPolarHBondContact O-CB 3.34Å; V717-A721 PolarHBondContact O-N 3.35Å; V717-M778 HydrophobicContact CG2-CG 4.31Å; V717-Q785 HydrophobicContact CG2-CB 3.95Å; V717-Q785 HydrophobicContact CG2-CG 4.47Å; V717-E788 HydrophobicContact CG1-CB 4.42Å; V717-E788 HydrophobicContact CG1-CG 4.37Å; V717-F789 HydrophobicContact CG1-CB 3.97Å
718K98.1Very high96.3Very high44 Ų4418.5 Ų18.519%0.19110%0.099CC..Hα-helixtrans-64.4-49.1-179.6-78174176.9163.20112.9L656 K657 D714 Y716 C720 A721 G722L656-K718 CarbonylContact O-C 3.56Å; K657-K718 HydrophobicContact CG-CB 4.3Å; K657-K718 HydrophobicContact CG-CD 4.31Å; D714-K718 VanDerWaalsContact CG-NZ 3.27Å; D714-K718 WeakPolarHBondContact O-CB 3.46Å; D714-K718 WeakPolarHBondContact O-CG 3.33Å; D714-K718 PolarHBondContact O-N 3.24Å; D714-K718 WeakPolarHBondContact OD1-CE 3.31Å; D714-K718 IonicContact OD1-NZ 3.93Å; D714-K718 PolarHBondContact OD1-NZ 3.48Å; D714-K718 WeakPolarHBondContact OD2-CD 3.33Å; D714-K718 WeakPolarHBondContact OD2-CE 3.19Å; D714-K718 IonicContact OD2-NZ 3.16Å; D714-K718 PolarHBondContact OD2-NZ 3.32Å; Y716-K718 PolarHBondContact O-N 2.97Å; K718-C720 VanDerWaalsContact C-N 3.32Å; K718-C720 PolarHBondContact O-N 3.35Å; K718-A721 PolarHBondContact O-N 3.35Å; K718-G722 PolarHBondContact O-N 3.03Å
719S97.8Very high96.4Very high0 Ų018.5 Ų18.50%010%0.099CC..Hα-helixtrans-66.2-37.3-179.758.90000111.8L656 T715 Y716 Y723 L748L656-S719 WeakPolarHBondContact O-CA 3.37Å; L656-S719 PolarHBondContact O-N 3.04Å; T715-S719 VanDerWaalsContact O-CB 3.27Å; T715-S719 WeakPolarHBondContact O-CB 3.21Å; T715-S719 PolarHBondContact O-N 3.48Å; T715-S719 PolarHBondContact O-OG 2.9Å; Y716-S719 PolarHBondContact O-OG 3.39Å; S719-Y723 WeakPolarHBondContact O-CD2 3.29Å; S719-Y723 PolarHBondContact O-N 2.99Å; S719-L748 WeakPolarHBondContact CB-O 3.43Å; S719-L748 PolarHBondContact OG-N 3.29Å
720C96.9Very high96.3Very high0 Ų017.2 Ų17.20%09%0.09CC..Hα-helixtrans-61.5-48.3171.8-172.20000111.9Y716 K718 G722 C724 L748 M774 M778 F789Y716-C720 WeakPolarHBondContact O-CB 3.42Å; Y716-C720 PolarHBondContact O-N 2.87Å; K718-C720 VanDerWaalsContact C-N 3.32Å; K718-C720 PolarHBondContact O-N 3.35Å; C720-G722 PolarHBondContact O-N 2.89Å; C720-C724 WeakPolarHBondContact O-CB 3.49Å; C720-C724 PolarHBondContact O-N 2.86Å; C720-C724 PolarHBondContact O-SG 3.42Å; C720-L748 HydrophobicContact CB-CD2 3.98Å; C720-M774 WeakPolarHBondContact SG-CE 3.44Å; C720-M778 HydrophobicContact CB-CE 3.71Å; C720-M778 WeakPolarHBondContact SG-CE 3.36Å; C720-F789 HydrophobicContact CB-CD2 4.43Å; C720-F789 HydrophobicContact CB-CE2 4.4Å
721A97.4Very high96.1Very high0 Ų014.5 Ų14.50%07%0.074CC..Hα-helixtrans-59.1-49.4178.700000111.9V717 K718 C724 V725 F789 Q792V717-A721 WeakPolarHBondContact O-CB 3.34Å; V717-A721 PolarHBondContact O-N 3.35Å; K718-A721 PolarHBondContact O-N 3.35Å; A721-C724 PolarHBondContact O-N 3.24Å; A721-V725 WeakPolarHBondContact O-CG2 3.5Å; A721-V725 PolarHBondContact O-N 3.14Å; A721-V725 VanDerWaalsContact O-N 3.08Å; A721-F789 HydrophobicContact CB-CD2 3.72Å; A721-F789 HydrophobicContact CB-CE2 4.05Å; A721-Q792 HydrophobicContact CB-CB 3.62Å
722G97.1Very high95.9Very high0 Ų07.5 Ų7.50%04%0.041CC..Hα-helixtrans-61.3-48-179.800000113L656 K718 C720 C724 V725 I726L656-G722 VanDerWaalsContact CD1-CA 3.43Å; K718-G722 PolarHBondContact O-N 3.03Å; C720-G722 PolarHBondContact O-N 2.89Å; G722-C724 PolarHBondContact O-N 3.29Å; G722-V725 PolarHBondContact O-N 2.91Å; G722-I726 WeakPolarHBondContact O-CB 3.28Å; G722-I726 VanDerWaalsContact O-CG1 3.24Å; G722-I726 WeakPolarHBondContact O-CG1 3.02Å; G722-I726 PolarHBondContact O-N 3.47Å
723Y96.7Very high95.4Very high0 Ų07 Ų70%04%0.038CC..Hα-helixtrans-66.8-36.1178.1-87.7-73.8000112.9I642 L658 T659 S719 T727 L748 F749 H750I642-Y723 HydrophobicContact CD1-CE1 4.37Å; I642-Y723 HydrophobicContact CG2-CE1 4.46Å; L658-Y723 HydrophobicContact CD2-CD2 3.58Å; L658-Y723 HydrophobicContact CD2-CE2 3.71Å; L658-Y723 HydrophobicContact CD2-CG 4.14Å; T659-Y723 VanDerWaalsContact C-OH 3.28Å; T659-Y723 PolarHBondContact O-OH 3.3Å; S719-Y723 WeakPolarHBondContact O-CD2 3.29Å; S719-Y723 PolarHBondContact O-N 2.99Å; Y723-T727 VanDerWaalsContact O-CB 3.28Å; Y723-T727 WeakPolarHBondContact O-CB 3.41Å; Y723-T727 VanDerWaalsContact O-CG2 3.23Å; Y723-T727 WeakPolarHBondContact O-CG2 3.5Å; Y723-T727 PolarHBondContact O-N 3.38Å; Y723-T727 PolarHBondContact O-OG1 3.42Å; Y723-L748 WeakPolarHBondContact CD2-O 3.19Å; Y723-L748 VanDerWaalsContact CE2-O 3.3Å; Y723-L748 WeakPolarHBondContact CE2-O 3.47Å; Y723-F749 HydrophobicContact CD2-CB 4.19Å; Y723-F749 HydrophobicContact CE1-CB 4.43Å; Y723-F749 VanDerWaalsContact CE2-CA 3.42Å; Y723-F749 HydrophobicContact CE2-CB 3.35Å; Y723-F749 WeakPolarHBondContact OH-CB 3.43Å; Y723-H750 HydrophobicContact CD1-CB 4.11Å; Y723-H750 AromaticContact CD1-CD2 3.7Å; Y723-H750 AromaticContact CD1-CG 3.98Å; Y723-H750 HydrophobicContact CE1-CB 4.29Å; Y723-H750 AromaticContact CG-CD2 3.66Å
724C95.5Very high94.8Very high0 Ų08.1 Ų8.10%05%0.045CC..Hα-helixtrans-64.8-40.3176.3-67.80000112.1C720 A721 G722 T727 Y728 M768 K769 F789C720-C724 WeakPolarHBondContact O-CB 3.49Å; C720-C724 PolarHBondContact O-N 2.86Å; C720-C724 PolarHBondContact O-SG 3.42Å; A721-C724 PolarHBondContact O-N 3.24Å; G722-C724 PolarHBondContact O-N 3.29Å; C724-T727 PolarHBondContact O-OG1 3.41Å; C724-Y728 WeakPolarHBondContact O-CB 3.47Å; C724-Y728 PolarHBondContact O-N 3.25Å; C724-M768 HydrophobicContact CB-CE 3.31Å; C724-M768 HydrophobicContact CB-CG 4.39Å; C724-K769 PolarHBondContact SG-O 3.03Å; C724-F789 HydrophobicContact CB-CZ 4.44Å
725V96.9Very high94.4Very high0 Ų06.7 Ų6.70%04%0.035CC..Hα-helixtrans-68.8-47.4176.4173.50000111.2A721 G722 Y728 I729 M768 C793 A796 F797 L800A721-V725 WeakPolarHBondContact O-CG2 3.5Å; A721-V725 PolarHBondContact O-N 3.14Å; A721-V725 VanDerWaalsContact O-N 3.08Å; G722-V725 PolarHBondContact O-N 2.91Å; V725-Y728 WeakPolarHBondContact O-CB 3.21Å; V725-Y728 PolarHBondContact O-N 3.11Å; V725-I729 HydrophobicContact CG1-CD1 3.84Å; V725-I729 WeakPolarHBondContact O-CG1 3.44Å; V725-I729 PolarHBondContact O-N 3.1Å; V725-M768 HydrophobicContact CG2-CE 4.35Å; V725-C793 HydrophobicContact CG2-CB 3.86Å; V725-C793 WeakPolarHBondContact CG2-O 3.44Å; V725-A796 HydrophobicContact CG1-CB 4.46Å; V725-A796 HydrophobicContact CG2-CB 4.39Å; V725-F797 HydrophobicContact CG1-CB 4.13Å; V725-F797 HydrophobicContact CG1-CD2 4.36Å; V725-L800 HydrophobicContact CG1-CD1 4.14Å
726I95.9Very high93.9Very high1 Ų18.9 Ų8.91%0.0054%0.044CC..Hα-helixtrans-65.4-43.9-177.4-67.9170.7000111.2I642 M645 L658 G722 Y728 I729 L730 L800I642-I726 HydrophobicContact CG1-CG2 3.8Å; I642-I726 HydrophobicContact CG2-CD1 4.41Å; M645-I726 HydrophobicContact CB-CD1 4.06Å; M645-I726 HydrophobicContact CB-CG1 4.42Å; M645-I726 HydrophobicContact SD-CB 4.15Å; M645-I726 HydrophobicContact SD-CD1 4.26Å; M645-I726 HydrophobicContact SD-CG1 3.73Å; M645-I726 HydrophobicContact SD-CG2 3.58Å; M645-I726 VanDerWaalsContact SD-CG2 3.58Å; L658-I726 HydrophobicContact CD1-CD1 3.38Å; L658-I726 HydrophobicContact CD2-CD1 4.33Å; G722-I726 WeakPolarHBondContact O-CB 3.28Å; G722-I726 VanDerWaalsContact O-CG1 3.24Å; G722-I726 WeakPolarHBondContact O-CG1 3.02Å; G722-I726 PolarHBondContact O-N 3.47Å; I726-Y728 VanDerWaalsContact C-N 3.28Å; I726-Y728 PolarHBondContact O-N 3.08Å; I726-I729 PolarHBondContact O-N 3.41Å; I726-L730 HydrophobicContact CG2-CD1 3.74Å; I726-L730 HydrophobicContact CG2-CG 4.23Å; I726-L730 WeakPolarHBondContact O-CB 3.28Å; I726-L730 WeakPolarHBondContact O-CG 3.28Å; I726-L730 PolarHBondContact O-N 3.37Å; I726-L800 HydrophobicContact CG1-CD1 4.15Å
727T94.2Very high93.5Very high2 Ų211 Ų111%0.0126%0.055CC..Hα-helixtrans-67-29.9177.655.40000112.7Y723 C724 G731 V732Y723-T727 VanDerWaalsContact O-CB 3.28Å; Y723-T727 WeakPolarHBondContact O-CB 3.41Å; Y723-T727 VanDerWaalsContact O-CG2 3.23Å; Y723-T727 WeakPolarHBondContact O-CG2 3.5Å; Y723-T727 PolarHBondContact O-N 3.38Å; Y723-T727 PolarHBondContact O-OG1 3.42Å; C724-T727 PolarHBondContact O-OG1 3.41Å; T727-G731 WeakPolarHBondContact O-CA 3.37Å; T727-G731 PolarHBondContact O-N 3.27Å; T727-V732 HydrophobicContact CG2-CB 4.11Å; T727-V732 HydrophobicContact CG2-CG2 4.17Å; T727-V732 PolarHBondContact O-N 2.92Å
728Y94.8Very high93Very high6 Ų615.2 Ų15.22%0.0248%0.078CC..Hα-helixtrans-64.5-50.6169.7167.2-98.4000111.8C724 V725 I726 L730 G731 P767 F797 K836 Y849 M850 L853C724-Y728 WeakPolarHBondContact O-CB 3.47Å; C724-Y728 PolarHBondContact O-N 3.25Å; V725-Y728 WeakPolarHBondContact O-CB 3.21Å; V725-Y728 PolarHBondContact O-N 3.11Å; I726-Y728 VanDerWaalsContact C-N 3.28Å; I726-Y728 PolarHBondContact O-N 3.08Å; Y728-L730 PolarHBondContact O-N 3.05Å; Y728-G731 PolarHBondContact O-N 3.17Å; Y728-G731 VanDerWaalsContact O-N 3.15Å; Y728-P767 WeakPolarHBondContact CD2-O 3.44Å; Y728-F797 HydrophobicContact CE1-CE2 4.15Å; Y728-K836 HydrophobicContact CD2-CD 4.34Å; Y728-K836 HydrophobicContact CE1-CB 4.16Å; Y728-K836 HydrophobicContact CE1-CD 4.2Å; Y728-K836 WeakPolarHBondContact CE1-O 3.44Å; Y728-K836 HydrophobicContact CE2-CD 3.8Å; Y728-Y849 WeakPolarHBondContact OH-CE1 3.49Å; Y728-Y849 PolarHBondContact OH-OH 3.25Å; Y728-M850 HydrophobicContact CD1-CE 4.06Å; Y728-M850 HydrophobicContact CE1-CE 4.04Å; Y728-L853 HydrophobicContact CD1-CD2 4.41Å; Y728-L853 HydrophobicContact CD2-CD2 3.59Å; Y728-L853 HydrophobicContact CE1-CD2 4.31Å; Y728-L853 HydrophobicContact CE2-CD1 4.01Å; Y728-L853 HydrophobicContact CE2-CD2 3.44Å; Y728-L853 VanDerWaalsContact CE2-CD2 3.44Å; Y728-L853 HydrophobicContact CE2-CG 4.38Å; Y728-L853 HydrophobicContact CG-CD2 4.09Å
729I95.4Very high92.7Very high1 Ų113.7 Ų13.71%0.0057%0.071CC..Hα-helixtrans-60.1-45.6-179.6-69.1168.2000111.1M645 V725 I726 G731 F797 L800 V833 F837M645-I729 HydrophobicContact CE-CG2 3.86Å; V725-I729 HydrophobicContact CG1-CD1 3.84Å; V725-I729 WeakPolarHBondContact O-CG1 3.44Å; V725-I729 PolarHBondContact O-N 3.1Å; I726-I729 PolarHBondContact O-N 3.41Å; I729-G731 VanDerWaalsContact C-N 3.26Å; I729-G731 PolarHBondContact O-N 2.95Å; I729-F797 HydrophobicContact CD1-CD2 4.23Å; I729-F797 HydrophobicContact CG1-CD2 4.42Å; I729-F797 HydrophobicContact CG1-CE2 4.4Å; I729-L800 HydrophobicContact CD1-CB 4.03Å; I729-L800 HydrophobicContact CD1-CD1 3.63Å; I729-L800 HydrophobicContact CD1-CG 4.5Å; I729-V833 HydrophobicContact CG2-CG1 4.33Å; I729-F837 HydrophobicContact CD1-CD1 4.47Å; I729-F837 HydrophobicContact CD1-CE1 3.9Å; I729-F837 HydrophobicContact CD1-CZ 4.41Å; I729-F837 HydrophobicContact CG1-CE1 4.39Å; I729-F837 HydrophobicContact CG2-CD2 4.33Å; I729-F837 HydrophobicContact CG2-CE1 3.93Å; I729-F837 HydrophobicContact CG2-CE2 3.69Å; I729-F837 HydrophobicContact CG2-CZ 3.46Å; I729-F837 VanDerWaalsContact CG2-CZ 3.46Å
730L93.4Very high92.6Very high3 Ų313.9 Ų13.92%0.0167%0.072CC..Hα-helixtrans-79.6-9-179.5-61.3-177.6000113.3I638 I641 I642 M645 I726 Y728 V732 L757 F811I638-L730 HydrophobicContact CD1-CD1 4.43Å; I638-L730 HydrophobicContact CG2-CD1 4.1Å; I641-L730 HydrophobicContact CG2-CD1 4.33Å; I641-L730 HydrophobicContact CG2-CD2 3.92Å; I642-L730 HydrophobicContact CG1-CD1 4.26Å; M645-L730 HydrophobicContact CE-CD2 3.93Å; M645-L730 HydrophobicContact CE-CG 4.29Å; I726-L730 HydrophobicContact CG2-CD1 3.74Å; I726-L730 HydrophobicContact CG2-CG 4.23Å; I726-L730 WeakPolarHBondContact O-CB 3.28Å; I726-L730 WeakPolarHBondContact O-CG 3.28Å; I726-L730 PolarHBondContact O-N 3.37Å; Y728-L730 PolarHBondContact O-N 3.05Å; L730-V732 HydrophobicContact CB-CG2 3.91Å; L730-V732 PolarHBondContact O-N 3.21Å; L730-L757 PolarHBondContact O-N 2.84Å; L730-L757 VanDerWaalsContact O-N 3.14Å; L730-F811 HydrophobicContact CD2-CE2 3.8Å; L730-F811 HydrophobicContact CD2-CZ 3.74Å
731G91.4Very high92.6Very high11 Ų1114.8 Ų14.811%0.1138%0.077CC..THydrogen-bonded Turntrans60.142.1-178.200000113.1T727 Y728 I729 G733 I756 L757 G758T727-G731 WeakPolarHBondContact O-CA 3.37Å; T727-G731 PolarHBondContact O-N 3.27Å; Y728-G731 PolarHBondContact O-N 3.17Å; Y728-G731 VanDerWaalsContact O-N 3.15Å; I729-G731 VanDerWaalsContact C-N 3.26Å; I729-G731 PolarHBondContact O-N 2.95Å; G731-G733 PolarHBondContact O-N 3.09Å; G731-I756 CarbonylContact O-C 3.51Å; G731-L757 PolarHBondContact O-N 2.86Å; G731-L757 VanDerWaalsContact O-N 3.16Å; G731-G758 PolarHBondContact O-N 3.48Å
732V91.1Very high92.5Very high1 Ų114.8 Ų14.81%0.0068%0.077CC..  trans-71.4123.8-178.9-177.30000110.4T727 L730 R735 F753 I756 K769T727-V732 HydrophobicContact CG2-CB 4.11Å; T727-V732 HydrophobicContact CG2-CG2 4.17Å; T727-V732 PolarHBondContact O-N 2.92Å; L730-V732 HydrophobicContact CB-CG2 3.91Å; L730-V732 PolarHBondContact O-N 3.21Å; V732-R735 HydrophobicContact CG1-CG 4.42Å; V732-F753 HydrophobicContact CG1-CD1 3.8Å; V732-F753 HydrophobicContact CG1-CE1 4.33Å; V732-F753 HydrophobicContact CG2-CD1 4.14Å; V732-F753 HydrophobicContact CG2-CE1 4.49Å; V732-I756 HydrophobicContact CG2-CG2 4.45Å; V732-K769 WeakPolarHBondContact O-CE 3.41Å
733G85.4Confident92.5Very high1 Ų115.3 Ų15.31%0.018%0.081CC..  trans-90.5-179.3178.300000114.3G731 R735 Y755 R759 D760G731-G733 PolarHBondContact O-N 3.09Å; G733-R735 VanDerWaalsContact C-N 3.33Å; G733-R735 VanDerWaalsContact O-CZ 3.24Å; G733-R735 PolarHBondContact O-N 3.07Å; G733-R735 PolarHBondContact O-NE 3.04Å; G733-R735 PolarHBondContact O-NH2 2.52Å; G733-R735 VanDerWaalsContact O-NH2 3.15Å; G733-Y755 PolarHBondContact N-O 3.37Å; G733-R759 WeakPolarHBondContact CA-O 3.34Å; G733-D760 WeakPolarHBondContact CA-OD2 3.09Å
734D83.8Confident92.4Very high28 Ų2821 Ų2115%0.1511%0.105CC..  trans51.744.1170.5-158.626.7000114.9H736 N739 Y755 D760 P761D734-H736 PolarHBondContact O-N 2.8Å; D734-H736 IonicContact OD1-CD2 3.62Å; D734-H736 PolarHBondContact OD1-CD2 2.99Å; D734-H736 VanDerWaalsContact OD1-CD2 3.31Å; D734-H736 IonicContact OD2-CD2 3.08Å; D734-H736 IonicContact OD2-NE2 2.8Å; D734-N739 PolarHBondContact O-ND2 3.22Å; D734-Y755 HydrophobicContact CB-CD2 3.51Å; D734-Y755 HydrophobicContact CB-CE2 4.08Å; D734-Y755 HydrophobicContact CB-CG 4.22Å; D734-D760 PolarHBondContact N-OD2 2.82Å; D734-D760 VanDerWaalsContact N-OD2 3.13Å; D734-P761 HydrophobicContact CB-CG 3.71Å; D734-P761 WeakPolarHBondContact OD1-CG 3.48Å
735R88.1Confident92.4Very high26 Ų2624.9 Ų24.910%0.09813%0.129CC..  trans-90.470.3178.7-60.8-55.880.5170.3-4.7110.8V732 G733 N739 H750 I751 D752 K769V732-R735 HydrophobicContact CG1-CG 4.42Å; G733-R735 VanDerWaalsContact C-N 3.33Å; G733-R735 VanDerWaalsContact O-CZ 3.24Å; G733-R735 PolarHBondContact O-N 3.07Å; G733-R735 PolarHBondContact O-NE 3.04Å; G733-R735 PolarHBondContact O-NH2 2.52Å; G733-R735 VanDerWaalsContact O-NH2 3.15Å; R735-N739 PolarHBondContact NH2-ND2 3.29Å; R735-H750 VanDerWaalsContact CD-ND1 3.31Å; R735-H750 WeakPolarHBondContact CD-ND1 3.25Å; R735-I751 PolarHBondContact NH1-O 3.33Å; R735-D752 PolarHBondContact NH1-O 3.08Å; R735-D752 PolarHBondContact NH2-O 3.27Å; R735-K769 HydrophobicContact CB-CB 4.16Å; R735-K769 HydrophobicContact CB-CD 4.26Å; R735-K769 HydrophobicContact CB-CG 4.17Å; R735-K769 HydrophobicContact CG-CB 4.07Å; R735-K769 HydrophobicContact CG-CD 4.25Å; R735-K769 HydrophobicContact CG-CG 3.8Å
736H85.9Confident92.3Very high59 Ų5924.9 Ų24.927%0.27313%0.129SC..  trans-86.4168.2169.559.772000111.8D734 D738 N739D734-H736 PolarHBondContact O-N 2.8Å; D734-H736 IonicContact OD1-CD2 3.62Å; D734-H736 PolarHBondContact OD1-CD2 2.99Å; D734-H736 VanDerWaalsContact OD1-CD2 3.31Å; D734-H736 IonicContact OD2-CD2 3.08Å; D734-H736 IonicContact OD2-NE2 2.8Å; H736-D738 VanDerWaalsContact C-N 3.26Å; H736-D738 PolarHBondContact ND1-N 3.41Å; H736-D738 IonicContact ND1-OD2 3.23Å; H736-D738 PolarHBondContact O-N 3.38Å; H736-N739 PolarHBondContact CE1-ND2 2.95Å; H736-N739 VanDerWaalsContact CE1-ND2 3.33Å; H736-N739 PolarHBondContact CE1-OD1 2.97Å; H736-N739 PolarHBondContact NE2-ND2 3.48Å; H736-N739 VanDerWaalsContact NE2-ND2 3.11Å; H736-N739 PolarHBondContact O-N 2.89Å
737L89.5Confident92.4Very high44 Ų4428.3 Ų28.323%0.2314%0.144CC..G310 helixtrans-65.6-22.4-170.7-59.6176.4000114.2V681 A682 L685 N739 L740 E773V681-L737 HydrophobicContact CG1-CD2 4.04Å; V681-L737 PolarHBondContact N-O 2.95Å; A682-L737 HydrophobicContact CB-CB 3.91Å; A682-L737 PolarHBondContact N-O 3.23Å; L685-L737 HydrophobicContact CD1-CD1 3.64Å; L737-N739 VanDerWaalsContact C-N 3.35Å; L737-L740 HydrophobicContact CD2-CD1 4.19Å; L737-E773 HydrophobicContact CD1-CG 4.47Å
738D88.5Confident92.6Very high93 Ų9328.2 Ų28.250%0.49714%0.143SC..G310 helixtrans-73.2-23.6170.8-51.7-86.3000113.7A682 H736 L740A682-D738 VanDerWaalsContact CB-OD1 3.31Å; A682-D738 WeakPolarHBondContact CB-OD1 3.15Å; H736-D738 VanDerWaalsContact C-N 3.26Å; H736-D738 PolarHBondContact ND1-N 3.41Å; H736-D738 IonicContact ND1-OD2 3.23Å; H736-D738 PolarHBondContact O-N 3.38Å; D738-L740 VanDerWaalsContact C-N 3.31Å
739N91.8Very high92.6Very high11 Ų1128 Ų286%0.05914%0.143CC..G310 helixtrans-89.10.1177.8-70-8.9000112.8D734 R735 H736 L737 I751D734-N739 PolarHBondContact O-ND2 3.22Å; R735-N739 PolarHBondContact NH2-ND2 3.29Å; H736-N739 PolarHBondContact CE1-ND2 2.95Å; H736-N739 VanDerWaalsContact CE1-ND2 3.33Å; H736-N739 PolarHBondContact CE1-OD1 2.97Å; H736-N739 PolarHBondContact NE2-ND2 3.48Å; H736-N739 VanDerWaalsContact NE2-ND2 3.11Å; H736-N739 PolarHBondContact O-N 2.89Å; L737-N739 VanDerWaalsContact C-N 3.35Å; N739-I751 HydrophobicContact CB-CG1 4.46Å; N739-I751 WeakPolarHBondContact O-CG1 3.37Å; N739-I751 PolarHBondContact O-N 2.91Å
740L94.9Very high92.6Very high4 Ų428 Ų282%0.02114%0.143CC..EExtended strand (participates in β ladder)trans-105.6119.2174.4-56-177.1000108.3P680 V681 L737 D738 L748 H750 M774P680-L740 CarbonylContact C-O 3.11Å; P680-L740 WeakPolarHBondContact CA-O 3.39Å; V681-L740 HydrophobicContact CB-CB 4.21Å; V681-L740 HydrophobicContact CG2-CB 3.77Å; V681-L740 WeakPolarHBondContact CG2-O 3.37Å; V681-L740 PolarHBondContact N-O 3.05Å; L737-L740 HydrophobicContact CD2-CD1 4.19Å; D738-L740 VanDerWaalsContact C-N 3.31Å; L740-L748 HydrophobicContact CB-CD1 4.44Å; L740-H750 WeakPolarHBondContact CD2-CE1 3.23Å; L740-H750 WeakPolarHBondContact CD2-NE2 3.17Å; L740-M774 HydrophobicContact CD1-SD 3.83Å
741L96.1Very high92.6Very high20 Ų2030 Ų3011%0.10515%0.152CC..EExtended strand (participates in β ladder)trans-107.7141.4-179.9-62.2-170000110.7S678 P680 L748 F749 I751S678-L741 WeakPolarHBondContact OG-CD1 3.32Å; P680-L741 HydrophobicContact CB-CD2 3.93Å; P680-L741 HydrophobicContact CG-CD2 3.74Å; L741-L748 WeakPolarHBondContact O-CA 3.38Å; L741-F749 HydrophobicContact CB-CD1 4.16Å; L741-F749 HydrophobicContact CB-CD2 4.34Å; L741-F749 HydrophobicContact CB-CE1 3.67Å; L741-F749 HydrophobicContact CB-CE2 3.88Å; L741-F749 HydrophobicContact CB-CG 4.47Å; L741-F749 HydrophobicContact CB-CZ 3.51Å; L741-F749 HydrophobicContact CD1-CE2 3.74Å; L741-F749 HydrophobicContact CD1-CZ 3.7Å; L741-F749 HydrophobicContact CG-CE2 4.29Å; L741-F749 HydrophobicContact CG-CZ 4.22Å; L741-F749 PolarHBondContact N-O 3.03Å; L741-F749 PolarHBondContact O-N 3.06Å; L741-I751 HydrophobicContact CD1-CB 4.46Å; L741-I751 HydrophobicContact CD1-CD1 3.91Å; L741-I751 HydrophobicContact CD1-CG1 4.19Å; L741-I751 HydrophobicContact CD1-CG2 3.5Å; L741-I751 HydrophobicContact CD2-CD1 4.18Å; L741-I751 HydrophobicContact CG-CD1 4.03Å; L741-I751 HydrophobicContact CG-CG1 4.05Å; L741-I751 HydrophobicContact CG-CG2 3.98Å
742L96.8Very high92.4Very high0 Ų032.6 Ų32.60%016%0.164CC..EExtended strand (participates in β ladder)trans-122.3131.8-178.9-163.263.6000110.5S678 V679 V681 V684 I691 F694 F695 Y716 L748S678-L742 CarbonylContact C-O 3.54Å; S678-L742 WeakPolarHBondContact CA-O 3.25Å; S678-L742 WeakPolarHBondContact CB-O 3.49Å; V679-L742 PolarHBondContact N-O 3.41Å; V679-L742 PolarHBondContact O-N 3.18Å; V681-L742 HydrophobicContact CG2-CB 4.39Å; V684-L742 HydrophobicContact CG2-CD2 4.49Å; I691-L742 HydrophobicContact CG2-CD2 3.9Å; F694-L742 HydrophobicContact CD1-CD2 3.72Å; F694-L742 HydrophobicContact CE1-CD2 3.87Å; F694-L742 HydrophobicContact CE1-CG 4.2Å; F695-L742 HydrophobicContact CE1-CD1 4.03Å; F695-L742 HydrophobicContact CE1-CD2 3.68Å; F695-L742 HydrophobicContact CE1-CG 3.84Å; F695-L742 HydrophobicContact CE2-CD2 4.44Å; F695-L742 HydrophobicContact CZ-CD1 3.59Å; F695-L742 HydrophobicContact CZ-CD2 3.63Å; F695-L742 HydrophobicContact CZ-CG 3.86Å; Y716-L742 HydrophobicContact CD2-CD1 3.94Å; Y716-L742 HydrophobicContact CE2-CD1 4.13Å; L742-L748 HydrophobicContact CD1-CB 4.12Å; L742-L748 HydrophobicContact CD1-CD1 3.93Å
743T96.8Very high92.4Very high11 Ų1132.5 Ų32.57%0.06716%0.164CC..  trans-93.8157.6173.264.80000111V676 T745 G746 K747 F749V676-T743 HydrophobicContact CG1-CG2 4.29Å; T743-T745 PolarHBondContact O-N 3.32Å; T743-T745 VanDerWaalsContact O-N 3.17Å; T743-T745 PolarHBondContact OG1-OG1 3.5Å; T743-G746 PolarHBondContact O-N 3.42Å; T743-G746 VanDerWaalsContact O-N 3.12Å; T743-K747 HydrophobicContact CG2-CB 4.14Å; T743-K747 PolarHBondContact N-O 3.42Å; T743-K747 WeakPolarHBondContact OG1-CA 3.4Å; T743-K747 VanDerWaalsContact OG1-CB 3.28Å; T743-K747 WeakPolarHBondContact OG1-CB 3.29Å; T743-K747 PolarHBondContact OG1-N 3.3Å; T743-K747 PolarHBondContact OG1-O 2.91Å; T743-F749 HydrophobicContact CG2-CD1 4.44Å; T743-F749 HydrophobicContact CG2-CE1 3.87Å
744K94.7Very high92.2Very high120 Ų12033.9 Ų33.952%0.52218%0.178SC..THydrogen-bonded Turntrans-62.6-20.2174.6-64.5178.6177.2-176.20113.1F694 H698 G746F694-K744 HydrophobicContact CZ-CG 4.18Å; H698-K744 HydrophobicContact CB-CB 4.34Å; H698-K744 HydrophobicContact CB-CG 4.48Å; K744-G746 VanDerWaalsContact C-N 3.35Å
745T95.5Very high92.3Very high81 Ų8137.2 Ų37.250%0.49719%0.189SC..THydrogen-bonded Turntrans-91.97.9178.960.60000113.1T743T743-T745 PolarHBondContact O-N 3.32Å; T743-T745 VanDerWaalsContact O-N 3.17Å; T743-T745 PolarHBondContact OG1-OG1 3.5Å
746G95.3Very high92.2Very high0 Ų036 Ų360%018%0.184CC..SBendtrans95.1-10.8175.400000115.4Y716 T743 K744 L748Y716-G746 WeakPolarHBondContact CA-O 3.14Å; Y716-G746 VanDerWaalsContact CB-O 3.31Å; Y716-G746 WeakPolarHBondContact CB-O 3.43Å; Y716-G746 PolarHBondContact N-O 3.2Å; T743-G746 PolarHBondContact O-N 3.42Å; T743-G746 VanDerWaalsContact O-N 3.12Å; K744-G746 VanDerWaalsContact C-N 3.35Å; G746-L748 PolarHBondContact O-N 3.41Å
747K97.3Very high92.1Very high72 Ų7233.6 Ų33.631%0.31317%0.173SC..  trans-67.4121.9179.2-53.9-172.1-178.8-172.70110.6T659 T715 T743T659-K747 VanDerWaalsContact OG1-CD 3.26Å; T659-K747 WeakPolarHBondContact OG1-CD 3.27Å; T715-K747 HydrophobicContact CG2-CB 4.35Å; T715-K747 HydrophobicContact CG2-CG 3.52Å; T743-K747 HydrophobicContact CG2-CB 4.14Å; T743-K747 PolarHBondContact N-O 3.42Å; T743-K747 WeakPolarHBondContact OG1-CA 3.4Å; T743-K747 VanDerWaalsContact OG1-CB 3.28Å; T743-K747 WeakPolarHBondContact OG1-CB 3.29Å; T743-K747 PolarHBondContact OG1-N 3.3Å; T743-K747 PolarHBondContact OG1-O 2.91Å
748L97.1Very high91.6Very high0 Ų034.1 Ų34.10%019%0.19CC..EExtended strand (participates in β ladder)trans-96.9132.8167-175.777.9000108.7V681 Y716 S719 C720 Y723 L740 L741 L742 G746 M774V681-L748 HydrophobicContact CG2-CD1 3.91Å; Y716-L748 HydrophobicContact CD2-CB 4.24Å; Y716-L748 HydrophobicContact CE2-CB 4.29Å; Y716-L748 HydrophobicContact CE2-CD1 4.48Å; Y716-L748 HydrophobicContact CE2-CD2 4.41Å; S719-L748 WeakPolarHBondContact CB-O 3.43Å; S719-L748 PolarHBondContact OG-N 3.29Å; C720-L748 HydrophobicContact CB-CD2 3.98Å; Y723-L748 WeakPolarHBondContact CD2-O 3.19Å; Y723-L748 VanDerWaalsContact CE2-O 3.3Å; Y723-L748 WeakPolarHBondContact CE2-O 3.47Å; L740-L748 HydrophobicContact CB-CD1 4.44Å; L741-L748 WeakPolarHBondContact O-CA 3.38Å; L742-L748 HydrophobicContact CD1-CB 4.12Å; L742-L748 HydrophobicContact CD1-CD1 3.93Å; G746-L748 PolarHBondContact O-N 3.41Å; L748-M774 HydrophobicContact CD2-CE 3.67Å
749F96.8Very high91.3Very high3 Ų332.9 Ų32.91%0.01318%0.178CC..EExtended strand (participates in β ladder)trans-148.4156.6175.265.9-78.8000112.2Y661 V676 S678 Y723 L741 T743 I751Y661-F749 HydrophobicContact CD1-CD2 4.01Å; Y661-F749 HydrophobicContact CD1-CE2 4.13Å; Y661-F749 HydrophobicContact CE1-CD2 4.13Å; Y661-F749 HydrophobicContact CE1-CE2 4.36Å; V676-F749 HydrophobicContact CB-CE1 4.48Å; V676-F749 HydrophobicContact CB-CE2 4.29Å; V676-F749 HydrophobicContact CB-CZ 3.74Å; V676-F749 HydrophobicContact CG1-CE1 3.89Å; V676-F749 HydrophobicContact CG1-CZ 3.65Å; V676-F749 HydrophobicContact CG2-CZ 4.39Å; S678-F749 WeakPolarHBondContact OG-CZ 3.45Å; Y723-F749 HydrophobicContact CD2-CB 4.19Å; Y723-F749 HydrophobicContact CE1-CB 4.43Å; Y723-F749 VanDerWaalsContact CE2-CA 3.42Å; Y723-F749 HydrophobicContact CE2-CB 3.35Å; Y723-F749 WeakPolarHBondContact OH-CB 3.43Å; L741-F749 HydrophobicContact CB-CD1 4.16Å; L741-F749 HydrophobicContact CB-CD2 4.34Å; L741-F749 HydrophobicContact CB-CE1 3.67Å; L741-F749 HydrophobicContact CB-CE2 3.88Å; L741-F749 HydrophobicContact CB-CG 4.47Å; L741-F749 HydrophobicContact CB-CZ 3.51Å; L741-F749 HydrophobicContact CD1-CE2 3.74Å; L741-F749 HydrophobicContact CD1-CZ 3.7Å; L741-F749 HydrophobicContact CG-CE2 4.29Å; L741-F749 HydrophobicContact CG-CZ 4.22Å; L741-F749 PolarHBondContact N-O 3.03Å; L741-F749 PolarHBondContact O-N 3.06Å; T743-F749 HydrophobicContact CG2-CD1 4.44Å; T743-F749 HydrophobicContact CG2-CE1 3.87Å; F749-I751 HydrophobicContact CD2-CG2 4.16Å; F749-I751 HydrophobicContact CE2-CG2 3.87Å
750H94.8Very high90.9Very high1 Ų134 Ų341%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-99.7142.6-174.9-67.1-140.8000109.9Y661 Y723 R735 L740 F753Y661-H750 WeakPolarHBondContact CE1-O 3.46Å; Y723-H750 HydrophobicContact CD1-CB 4.11Å; Y723-H750 AromaticContact CD1-CD2 3.7Å; Y723-H750 AromaticContact CD1-CG 3.98Å; Y723-H750 HydrophobicContact CE1-CB 4.29Å; Y723-H750 AromaticContact CG-CD2 3.66Å; R735-H750 VanDerWaalsContact CD-ND1 3.31Å; R735-H750 WeakPolarHBondContact CD-ND1 3.25Å; L740-H750 WeakPolarHBondContact CD2-CE1 3.23Å; L740-H750 WeakPolarHBondContact CD2-NE2 3.17Å; H750-F753 HydrophobicContact CB-CE1 4.22Å; H750-F753 HydrophobicContact CB-CZ 4.18Å; H750-F753 WeakPolarHBondContact O-CZ 3.39Å
751I92.9Very high90.1Very high43 Ų4337.1 Ų37.122%0.22121%0.205CC..  trans-121.4168.2172.758.6158.8000111.3Y661 R735 N739 L741 F749Y661-I751 HydrophobicContact CE1-CG2 3.87Å; Y661-I751 WeakPolarHBondContact OH-CA 3.47Å; R735-I751 PolarHBondContact NH1-O 3.33Å; N739-I751 HydrophobicContact CB-CG1 4.46Å; N739-I751 WeakPolarHBondContact O-CG1 3.37Å; N739-I751 PolarHBondContact O-N 2.91Å; L741-I751 HydrophobicContact CD1-CB 4.46Å; L741-I751 HydrophobicContact CD1-CD1 3.91Å; L741-I751 HydrophobicContact CD1-CG1 4.19Å; L741-I751 HydrophobicContact CD1-CG2 3.5Å; L741-I751 HydrophobicContact CD2-CD1 4.18Å; L741-I751 HydrophobicContact CG-CD1 4.03Å; L741-I751 HydrophobicContact CG-CG1 4.05Å; L741-I751 HydrophobicContact CG-CG2 3.98Å; F749-I751 HydrophobicContact CD2-CG2 4.16Å; F749-I751 HydrophobicContact CE2-CG2 3.87Å
752D88Confident89.2Confident66 Ų6641.4 Ų41.435%0.35322%0.222SC..  trans60.988.6176.1-167.2-19.3000112.2R735 G754R735-D752 PolarHBondContact NH1-O 3.08Å; R735-D752 PolarHBondContact NH2-O 3.27Å; D752-G754 VanDerWaalsContact C-N 3.29Å; D752-G754 PolarHBondContact O-N 3.02Å; D752-G754 PolarHBondContact OD1-N 3.47Å
753F89.6Confident87.6Confident0 Ų047.4 Ų47.40%026%0.261CS..  trans-95.533.5-178.1-61.1-80.2000112.5Q634 D635 I638 L639 I642 Y661 V732 H750 Y755 I756Q634-F753 PolarHBondContact NE2-O 3.38Å; D635-F753 PolarHBondContact OD1-N 2.67Å; I638-F753 HydrophobicContact CB-CB 4.14Å; I638-F753 HydrophobicContact CB-CD1 4.49Å; I638-F753 HydrophobicContact CB-CD2 4.43Å; I638-F753 HydrophobicContact CB-CG 4.11Å; I638-F753 HydrophobicContact CG1-CB 4.18Å; I638-F753 HydrophobicContact CG2-CB 4.08Å; I638-F753 HydrophobicContact CG2-CD1 3.53Å; I638-F753 HydrophobicContact CG2-CD2 4.05Å; I638-F753 HydrophobicContact CG2-CE1 3.9Å; I638-F753 HydrophobicContact CG2-CE2 4.36Å; I638-F753 HydrophobicContact CG2-CG 3.61Å; I638-F753 HydrophobicContact CG2-CZ 4.3Å; L639-F753 HydrophobicContact CD1-CD2 4.45Å; L639-F753 HydrophobicContact CD1-CE2 4.19Å; L639-F753 HydrophobicContact CD2-CE2 3.85Å; L639-F753 HydrophobicContact CD2-CZ 4.43Å; L639-F753 HydrophobicContact CG-CD2 4.28Å; L639-F753 HydrophobicContact CG-CE2 3.82Å; I642-F753 HydrophobicContact CD1-CE1 4.01Å; I642-F753 HydrophobicContact CD1-CE2 4.29Å; I642-F753 HydrophobicContact CD1-CZ 3.65Å; Y661-F753 HydrophobicContact CE1-CE2 4.49Å; Y661-F753 WeakPolarHBondContact OH-CE2 3.49Å; V732-F753 HydrophobicContact CG1-CD1 3.8Å; V732-F753 HydrophobicContact CG1-CE1 4.33Å; V732-F753 HydrophobicContact CG2-CD1 4.14Å; V732-F753 HydrophobicContact CG2-CE1 4.49Å; H750-F753 HydrophobicContact CB-CE1 4.22Å; H750-F753 HydrophobicContact CB-CZ 4.18Å; H750-F753 WeakPolarHBondContact O-CZ 3.39Å; F753-Y755 PolarHBondContact O-N 2.95Å; F753-I756 HydrophobicContact CB-CG2 4.42Å; F753-I756 WeakPolarHBondContact O-CG2 3.46Å
754G82.8Confident86.3Confident30 Ų3054.6 Ų54.631%0.30930%0.299SS..  trans-64.2-15.5-177.600000116.1Q634 D752Q634-G754 PolarHBondContact NE2-O 3.42Å; D752-G754 VanDerWaalsContact C-N 3.29Å; D752-G754 PolarHBondContact O-N 3.02Å; D752-G754 PolarHBondContact OD1-N 3.47Å
755Y84.4Confident85.1Confident98 Ų9851.4 Ų51.438%0.38429%0.29SS..SBendtrans-124.7112.8175-63.5-84.2000110.7G733 D734 F753 R759 P761 D821G733-Y755 PolarHBondContact N-O 3.37Å; D734-Y755 HydrophobicContact CB-CD2 3.51Å; D734-Y755 HydrophobicContact CB-CE2 4.08Å; D734-Y755 HydrophobicContact CB-CG 4.22Å; F753-Y755 PolarHBondContact O-N 2.95Å; Y755-R759 HydrophobicContact CD1-CB 4.4Å; Y755-P761 HydrophobicContact CE2-CG 4.42Å; Y755-D821 WeakPolarHBondContact CA-OD2 3.22Å
756I87.4Confident84.1Confident0 Ų049.6 Ų49.60%028%0.28CS..  trans-130.6175.1-178.860.7169000112.7Q634 I638 G731 V732 F753 G758 R759 D821 I822Q634-I756 HydrophobicContact CG-CD1 3.97Å; Q634-I756 HydrophobicContact CG-CG1 4.49Å; I638-I756 HydrophobicContact CD1-CB 4.43Å; I638-I756 HydrophobicContact CD1-CD1 3.95Å; I638-I756 HydrophobicContact CD1-CG2 3.89Å; I638-I756 HydrophobicContact CG1-CD1 4.34Å; I638-I756 HydrophobicContact CG1-CG2 3.92Å; G731-I756 CarbonylContact O-C 3.51Å; V732-I756 HydrophobicContact CG2-CG2 4.45Å; F753-I756 HydrophobicContact CB-CG2 4.42Å; F753-I756 WeakPolarHBondContact O-CG2 3.46Å; I756-G758 VanDerWaalsContact C-N 3.29Å; I756-G758 PolarHBondContact O-N 3.34Å; I756-R759 WeakPolarHBondContact O-CB 3.18Å; I756-R759 WeakPolarHBondContact O-CG 3.3Å; I756-R759 PolarHBondContact O-N 2.79Å; I756-D821 HydrophobicContact CD1-CB 4.2Å; I756-D821 HydrophobicContact CG1-CB 3.66Å; I756-D821 PolarHBondContact N-OD2 2.82Å; I756-I822 HydrophobicContact CD1-CG1 4.43Å
757L83.1Confident83.1Confident8 Ų852.3 Ų52.34%0.04230%0.297CS..THydrogen-bonded Turntrans56.143.2172.7-55170.2000112.7L730 G731 R759 I822 T829 K832 V833L730-L757 PolarHBondContact O-N 2.84Å; L730-L757 VanDerWaalsContact O-N 3.14Å; G731-L757 PolarHBondContact O-N 2.86Å; G731-L757 VanDerWaalsContact O-N 3.16Å; L757-R759 VanDerWaalsContact C-N 3.33Å; L757-R759 PolarHBondContact O-N 3.29Å; L757-I822 HydrophobicContact CD1-CG1 4.09Å; L757-T829 HydrophobicContact CD1-CG2 3.55Å; L757-T829 HydrophobicContact CD2-CG2 4.33Å; L757-K832 HydrophobicContact CB-CD 4.19Å; L757-K832 WeakPolarHBondContact O-CD 3.32Å; L757-K832 PolarHBondContact O-NZ 2.83Å; L757-V833 HydrophobicContact CD2-CG2 3.46Å; L757-V833 VanDerWaalsContact CD2-CG2 3.46Å
758G79.3Confident82.6Confident56 Ų5648.9 Ų48.958%0.57728%0.283SS*.THydrogen-bonded Turntrans82.44.8174.600000114.9G731 I756G731-G758 PolarHBondContact O-N 3.48Å; I756-G758 VanDerWaalsContact C-N 3.29Å; I756-G758 PolarHBondContact O-N 3.34Å
759R82.9Confident81.9Confident67 Ų6750.3 Ų50.325%0.25329%0.289SS..  trans-76.1137.5171.5-67.7175.5169-146.9-8.8110.1G733 Y755 I756 L757 D821 L824G733-R759 WeakPolarHBondContact CA-O 3.34Å; Y755-R759 HydrophobicContact CD1-CB 4.4Å; I756-R759 WeakPolarHBondContact O-CB 3.18Å; I756-R759 WeakPolarHBondContact O-CG 3.3Å; I756-R759 PolarHBondContact O-N 2.79Å; L757-R759 VanDerWaalsContact C-N 3.33Å; L757-R759 PolarHBondContact O-N 3.29Å; R759-D821 WeakPolarHBondContact CD-OD1 3.43Å; R759-D821 IonicContact CZ-OD1 3.24Å; R759-D821 IonicContact NE-OD1 3.95Å; R759-D821 IonicContact NH1-OD1 2.94Å; R759-D821 PolarHBondContact NH1-OD1 3.23Å; R759-L824 VanDerWaalsContact NH2-CD1 3.29Å
760D81.9Confident81.5Confident34 Ų3450.3 Ų50.318%0.18229%0.289CS..  trans-149.8137.8174.6-156.4-67.6000109.3G733 D734 K762 P765 K769G733-D760 WeakPolarHBondContact CA-OD2 3.09Å; D734-D760 PolarHBondContact N-OD2 2.82Å; D734-D760 VanDerWaalsContact N-OD2 3.13Å; D760-K762 PolarHBondContact O-N 2.69Å; D760-K762 VanDerWaalsContact OD1-CB 3.27Å; D760-K762 WeakPolarHBondContact OD1-CB 3.46Å; D760-K762 PolarHBondContact OD1-N 2.8Å; D760-P765 HydrophobicContact CB-CB 4.19Å; D760-P765 HydrophobicContact CB-CG 3.92Å; D760-K769 IonicContact OD2-NZ 3.69Å; D760-K769 PolarHBondContact OD2-NZ 2.85Å
761P78.9Confident81.2Confident70 Ų7051.1 Ų51.146%0.45530%0.295SS..SBendtrans-67.2-19.7172.526.4-34.1000112.7D734 Y755D734-P761 HydrophobicContact CB-CG 3.71Å; D734-P761 WeakPolarHBondContact OD1-CG 3.48Å; Y755-P761 HydrophobicContact CE2-CG 4.42Å
762K76.1Confident80.9Confident109 Ų10951.8 Ų51.847%0.47430%0.296SS..SBendtrans-86.3136.4178.1-59.9179.7-176.9177.40110.5D760 L764 P765D760-K762 PolarHBondContact O-N 2.69Å; D760-K762 VanDerWaalsContact OD1-CB 3.27Å; D760-K762 WeakPolarHBondContact OD1-CB 3.46Å; D760-K762 PolarHBondContact OD1-N 2.8Å; K762-L764 VanDerWaalsContact C-N 3.31Å; K762-L764 PolarHBondContact O-N 3Å; K762-P765 WeakPolarHBondContact O-CD 3.43Å
763P63.5Low81.1Confident127 Ų12751.4 Ų51.483%0.82529%0.292SS*.SBendtrans-69.8-21.9-174.325.3-33.8000114.7
764L69.3Low81.3Confident162 Ų16251.5 Ų51.585%0.84829%0.292SS*.SBendtrans-14175.2178.2-69.3173000109.7K762K762-L764 VanDerWaalsContact C-N 3.31Å; K762-L764 PolarHBondContact O-N 3Å
765P71.4Confident81.8Confident53 Ų5350.2 Ų50.234%0.34428%0.279SS..  trans-69.8145.9177.627.3-29.5000110.5D760 K762D760-P765 HydrophobicContact CB-CB 4.19Å; D760-P765 HydrophobicContact CB-CG 3.92Å; K762-P765 WeakPolarHBondContact O-CD 3.43Å
766P73.8Confident82.1Confident43 Ų4350.1 Ų50.128%0.27928%0.282SS..  trans-60.5147.4169.528.3-34.5000109.4M768P766-M768 VanDerWaalsContact C-N 3.32Å; P766-M768 PolarHBondContact O-N 3.02Å
767P74.9Confident82.3Confident57 Ų5750.2 Ų50.237%0.3728%0.283SS..SBendtrans-70.2-30.7-170.930.3-35.8000111.9Y728 L853 S857Y728-P767 WeakPolarHBondContact CD2-O 3.44Å; P767-L853 HydrophobicContact CB-CD1 3.64Å; P767-L853 HydrophobicContact CG-CD1 3.91Å; P767-S857 WeakPolarHBondContact CG-OG 3.31Å
768M85.3Confident82.9Confident0 Ų049.8 Ų49.80%028%0.281CS..SBendtrans-114139.9165.4-170.4169.5-179.900110.2C724 V725 P766 L770 M850 L853 I854 S857C724-M768 HydrophobicContact CB-CE 3.31Å; C724-M768 HydrophobicContact CB-CG 4.39Å; V725-M768 HydrophobicContact CG2-CE 4.35Å; P766-M768 VanDerWaalsContact C-N 3.32Å; P766-M768 PolarHBondContact O-N 3.02Å; M768-L770 VanDerWaalsContact C-N 3.31Å; M768-L770 PolarHBondContact O-N 3.26Å; M768-M850 HydrophobicContact SD-SD 4.27Å; M768-L853 HydrophobicContact CB-CD2 4.09Å; M768-L853 HydrophobicContact CB-CG 4.17Å; M768-L853 HydrophobicContact SD-CD2 4.16Å; M768-I854 HydrophobicContact CE-CD1 4.41Å; M768-I854 HydrophobicContact CE-CG1 4.12Å; M768-I854 HydrophobicContact SD-CD1 4.45Å; M768-I854 HydrophobicContact SD-CG1 3.56Å; M768-I854 VanDerWaalsContact SD-CG1 3.56Å; M768-S857 WeakPolarHBondContact CB-OG 3.3Å; M768-S857 PolarHBondContact N-OG 3.3Å; M768-S857 VanDerWaalsContact N-OG 3.16Å
769K83.7Confident83.4Confident29 Ų2948.7 Ų48.713%0.12627%0.269CS..  trans-82.176.9-178.2-56.1-57.3-168.8-174.20110.4C724 V732 R735 D760C724-K769 PolarHBondContact SG-O 3.03Å; V732-K769 WeakPolarHBondContact O-CE 3.41Å; R735-K769 HydrophobicContact CB-CB 4.16Å; R735-K769 HydrophobicContact CB-CD 4.26Å; R735-K769 HydrophobicContact CB-CG 4.17Å; R735-K769 HydrophobicContact CG-CB 4.07Å; R735-K769 HydrophobicContact CG-CD 4.25Å; R735-K769 HydrophobicContact CG-CG 3.8Å; D760-K769 IonicContact OD2-NZ 3.69Å; D760-K769 PolarHBondContact OD2-NZ 2.85Å
770L88.4Confident83.7Confident4 Ų446.4 Ų46.42%0.02127%0.266CS..  trans-121.4125.6174.9-178.960.7000108.2M768 M774 V775 F789 I854 V858 L861M768-L770 VanDerWaalsContact C-N 3.31Å; M768-L770 PolarHBondContact O-N 3.26Å; L770-M774 HydrophobicContact CD1-CB 4.07Å; L770-M774 HydrophobicContact CD1-CE 4.05Å; L770-V775 HydrophobicContact CD1-CG2 3.9Å; L770-V775 HydrophobicContact CD2-CG2 3.85Å; L770-V775 HydrophobicContact CG-CG2 3.82Å; L770-F789 HydrophobicContact CD1-CZ 4Å; L770-F789 HydrophobicContact CD2-CE1 4.06Å; L770-F789 HydrophobicContact CD2-CZ 4.16Å; L770-I854 HydrophobicContact CD2-CG2 4.41Å; L770-V858 HydrophobicContact CD2-CG2 3.6Å; L770-L861 WeakPolarHBondContact O-CD1 3.44Å
771S87.7Confident84Confident18 Ų1848.3 Ų48.313%0.12628%0.275CS..  trans-98.2158.8178.399.60000111.6E773 M774 V775S771-E773 VanDerWaalsContact C-N 3.27Å; S771-E773 VanDerWaalsContact CB-OE2 3.29Å; S771-E773 WeakPolarHBondContact CB-OE2 3.5Å; S771-E773 PolarHBondContact O-N 2.76Å; S771-E773 PolarHBondContact OG-N 3.25Å; S771-E773 PolarHBondContact OG-OE2 2.89Å; S771-M774 PolarHBondContact N-SD 2.94Å; S771-M774 WeakPolarHBondContact O-CB 3.47Å; S771-M774 PolarHBondContact O-N 3.02Å; S771-M774 WeakPolarHBondContact OG-CG 3.21Å; S771-M774 PolarHBondContact OG-N 3.34Å; S771-V775 PolarHBondContact O-N 2.89Å
772K87.6Confident84.4Confident56 Ų5653.6 Ų53.624%0.24329%0.294CS..Hα-helixtrans-59.8-43.2177.3176.1-175.3163.9-171.20110.7M774 V775 E776 F862K772-M774 VanDerWaalsContact C-N 3.25Å; K772-M774 PolarHBondContact O-N 3.38Å; K772-V775 PolarHBondContact O-N 2.84Å; K772-V775 VanDerWaalsContact O-N 3.16Å; K772-E776 VanDerWaalsContact CE-CD 3.43Å; K772-E776 WeakPolarHBondContact CE-OE1 3.42Å; K772-E776 HydrophobicContact CG-CG 4.37Å; K772-E776 IonicContact NZ-OE1 3.46Å; K772-E776 PolarHBondContact NZ-OE1 2.91Å; K772-E776 WeakPolarHBondContact O-CG 3.37Å; K772-E776 PolarHBondContact O-N 2.87Å; K772-F862 HydrophobicContact CD-CE1 4.32Å; K772-F862 HydrophobicContact CG-CE1 4.45Å
773E90.9Very high85.3Confident58 Ų5848.9 Ų48.927%0.27127%0.274SS..Hα-helixtrans-64.4-33.6-178.5-55.676.3-162.400111.1L685 L737 S771 G777L685-E773 HydrophobicContact CD1-CB 4.17Å; L685-E773 HydrophobicContact CD1-CG 3.72Å; L685-E773 HydrophobicContact CD2-CB 4.34Å; L685-E773 HydrophobicContact CD2-CG 4.31Å; L737-E773 HydrophobicContact CD1-CG 4.47Å; S771-E773 VanDerWaalsContact C-N 3.27Å; S771-E773 VanDerWaalsContact CB-OE2 3.29Å; S771-E773 WeakPolarHBondContact CB-OE2 3.5Å; S771-E773 PolarHBondContact O-N 2.76Å; S771-E773 PolarHBondContact OG-N 3.25Å; S771-E773 PolarHBondContact OG-OE2 2.89Å; E773-G777 PolarHBondContact O-N 2.9Å
774M93.5Very high86.7Confident2 Ų250.3 Ų50.31%0.0127%0.27CS..Hα-helixtrans-64.4-44.8174.4-67.1165.565.700111.5Y716 C720 L740 L748 L770 S771 K772 G777 M778Y716-M774 VanDerWaalsContact OH-CA 3.24Å; Y716-M774 WeakPolarHBondContact OH-CA 3.35Å; Y716-M774 PolarHBondContact OH-O 3.29Å; C720-M774 WeakPolarHBondContact SG-CE 3.44Å; L740-M774 HydrophobicContact CD1-SD 3.83Å; L748-M774 HydrophobicContact CD2-CE 3.67Å; L770-M774 HydrophobicContact CD1-CB 4.07Å; L770-M774 HydrophobicContact CD1-CE 4.05Å; S771-M774 PolarHBondContact N-SD 2.94Å; S771-M774 WeakPolarHBondContact O-CB 3.47Å; S771-M774 PolarHBondContact O-N 3.02Å; S771-M774 WeakPolarHBondContact OG-CG 3.21Å; S771-M774 PolarHBondContact OG-N 3.34Å; K772-M774 VanDerWaalsContact C-N 3.25Å; K772-M774 PolarHBondContact O-N 3.38Å; M774-G777 PolarHBondContact O-N 3.02Å; M774-M778 PolarHBondContact O-N 3.49Å
775V93.1Very high88Confident4 Ų444.2 Ų44.22%0.02424%0.237CC..Hα-helixtrans-68-42.1178.21780000111.4L770 S771 K772 G777 M778 G779 G780 M781 Y786 V858L770-V775 HydrophobicContact CD1-CG2 3.9Å; L770-V775 HydrophobicContact CD2-CG2 3.85Å; L770-V775 HydrophobicContact CG-CG2 3.82Å; S771-V775 PolarHBondContact O-N 2.89Å; K772-V775 PolarHBondContact O-N 2.84Å; K772-V775 VanDerWaalsContact O-N 3.16Å; V775-G777 VanDerWaalsContact C-N 3.26Å; V775-G777 PolarHBondContact O-N 3.3Å; V775-M778 WeakPolarHBondContact O-CB 3.41Å; V775-M778 PolarHBondContact O-N 2.94Å; V775-M778 VanDerWaalsContact O-N 3.1Å; V775-G779 PolarHBondContact O-N 2.82Å; V775-G780 PolarHBondContact O-N 2.85Å; V775-M781 HydrophobicContact CG1-CG 4.17Å; V775-Y786 HydrophobicContact CG1-CD2 3.98Å; V775-Y786 HydrophobicContact CG1-CE2 3.99Å; V775-Y786 HydrophobicContact CG2-CE2 4.1Å; V775-V858 HydrophobicContact CG2-CG2 4.36Å
776E91.4Very high89.1Confident95 Ų9541.9 Ų41.944%0.44422%0.222SC..Hα-helixtrans-63.4-34.2173.1-72.6-178.1161.400111.7Q692 K772 M778 G779Q692-E776 PolarHBondContact NE2-O 2.85Å; K772-E776 VanDerWaalsContact CE-CD 3.43Å; K772-E776 WeakPolarHBondContact CE-OE1 3.42Å; K772-E776 HydrophobicContact CG-CG 4.37Å; K772-E776 IonicContact NZ-OE1 3.46Å; K772-E776 PolarHBondContact NZ-OE1 2.91Å; K772-E776 WeakPolarHBondContact O-CG 3.37Å; K772-E776 PolarHBondContact O-N 2.87Å; E776-M778 PolarHBondContact O-N 3.07Å; E776-G779 PolarHBondContact O-N 2.9Å
777G92Very high90.1Very high2 Ų244.1 Ų44.12%0.02123%0.228CC..Hα-helixtrans-55.2-35.2171.100000113.2Q692 E773 M774 V775 G779Q692-G777 VanDerWaalsContact CG-O 3.3Å; Q692-G777 WeakPolarHBondContact CG-O 3.27Å; Q692-G777 PolarHBondContact NE2-O 2.98Å; E773-G777 PolarHBondContact O-N 2.9Å; M774-G777 PolarHBondContact O-N 3.02Å; V775-G777 VanDerWaalsContact C-N 3.26Å; V775-G777 PolarHBondContact O-N 3.3Å; G777-G779 VanDerWaalsContact C-N 3.31Å
778M94.6Very high91.1Very high0 Ų044.4 Ų44.40%022%0.224CC..THydrogen-bonded Turntrans-80.3-9.6176.1-57.8173.2-170.700113.2Y706 Y716 V717 C720 M774 V775 E776 S783 Q785 Y786 F789Y706-M778 WeakPolarHBondContact CE2-O 3.25Å; Y716-M778 HydrophobicContact CD1-CG 4.39Å; Y716-M778 HydrophobicContact CE1-CE 4.34Å; Y716-M778 HydrophobicContact CE1-CG 3.81Å; V717-M778 HydrophobicContact CG2-CG 4.31Å; C720-M778 HydrophobicContact CB-CE 3.71Å; C720-M778 WeakPolarHBondContact SG-CE 3.36Å; M774-M778 PolarHBondContact O-N 3.49Å; V775-M778 WeakPolarHBondContact O-CB 3.41Å; V775-M778 PolarHBondContact O-N 2.94Å; V775-M778 VanDerWaalsContact O-N 3.1Å; E776-M778 PolarHBondContact O-N 3.07Å; M778-S783 WeakPolarHBondContact O-CB 3.29Å; M778-S783 PolarHBondContact O-OG 3.06Å; M778-S783 VanDerWaalsContact O-OG 3.08Å; M778-Q785 HydrophobicContact CB-CB 4.15Å; M778-Q785 WeakPolarHBondContact O-CB 3.27Å; M778-Y786 HydrophobicContact SD-CD2 4.07Å; M778-F789 HydrophobicContact CE-CB 4.11Å; M778-F789 HydrophobicContact CE-CD2 3.46Å; M778-F789 VanDerWaalsContact CE-CD2 3.46Å; M778-F789 HydrophobicContact CE-CE2 3.96Å; M778-F789 HydrophobicContact CE-CG 3.79Å; M778-F789 HydrophobicContact SD-CB 3.66Å; M778-F789 HydrophobicContact SD-CD1 4.3Å; M778-F789 HydrophobicContact SD-CD2 4.11Å; M778-F789 HydrophobicContact SD-CG 3.77Å
779G90.3Very high91.7Very high32 Ų3244.4 Ų44.433%0.3322%0.224SC..THydrogen-bonded Turntrans9813.5-175.100000114.7Y706 V775 E776 G777Y706-G779 WeakPolarHBondContact OH-CA 3.35Å; V775-G779 PolarHBondContact O-N 2.82Å; E776-G779 PolarHBondContact O-N 2.9Å; G777-G779 VanDerWaalsContact C-N 3.31Å
780G89.7Confident92.3Very high19 Ų1944.4 Ų44.420%0.19622%0.224CC..  trans90.7175.7174.600000114.3V775 Q782 S783 Y786V775-G780 PolarHBondContact O-N 2.85Å; G780-Q782 PolarHBondContact O-N 3.03Å; G780-Q782 VanDerWaalsContact O-N 3.15Å; G780-S783 WeakPolarHBondContact O-CB 3.49Å; G780-S783 PolarHBondContact O-N 2.92Å; G780-S783 PolarHBondContact O-OG 2.97Å; G780-Y786 VanDerWaalsContact O-CB 3.3Å; G780-Y786 WeakPolarHBondContact O-CB 3.3Å
781M88Confident92.7Very high74 Ų7449.9 Ų49.937%0.36525%0.247SC..THydrogen-bonded Turntrans-64.8-21-171.1-61.7174.571.700114.9V775 Y786 V858 F862V775-M781 HydrophobicContact CG1-CG 4.17Å; M781-Y786 HydrophobicContact CB-CD1 4.38Å; M781-Y786 HydrophobicContact CB-CE1 4.25Å; M781-Y786 HydrophobicContact CG-CE1 4.46Å; M781-Y786 VanDerWaalsContact O-CD1 3.26Å; M781-Y786 WeakPolarHBondContact O-CD1 3.03Å; M781-V858 HydrophobicContact CE-CG1 3.72Å; M781-V858 HydrophobicContact CG-CG1 4.12Å; M781-V858 HydrophobicContact SD-CG1 3.57Å; M781-V858 VanDerWaalsContact SD-CG1 3.57Å; M781-F862 HydrophobicContact SD-CE2 3.89Å
782Q88Confident93.2Very high182 Ų18250 Ų5085%0.8525%0.246SC*.THydrogen-bonded Turntrans-96.21.2179.6-58.4-60.8-23.900112.6G780G780-Q782 PolarHBondContact O-N 3.03Å; G780-Q782 VanDerWaalsContact O-N 3.15Å
783S93.6Very high93.6Very high9 Ų947.3 Ų47.36%0.06323%0.234CC..SBendtrans-76151179.365.90000112.2Y706 M778 G780 Q785 Y786 Q787Y706-S783 WeakPolarHBondContact OH-CB 3.46Å; M778-S783 WeakPolarHBondContact O-CB 3.29Å; M778-S783 PolarHBondContact O-OG 3.06Å; M778-S783 VanDerWaalsContact O-OG 3.08Å; G780-S783 WeakPolarHBondContact O-CB 3.49Å; G780-S783 PolarHBondContact O-N 2.92Å; G780-S783 PolarHBondContact O-OG 2.97Å; S783-Q785 VanDerWaalsContact C-N 3.26Å; S783-Q785 PolarHBondContact O-N 3.02Å; S783-Y786 PolarHBondContact O-N 3.48Å; S783-Y786 WeakPolarHBondContact OG-CB 3.4Å; S783-Y786 PolarHBondContact OG-N 2.86Å; S783-Y786 VanDerWaalsContact OG-N 3.07Å; S783-Q787 PolarHBondContact O-N 2.93Å
784E94.3Very high93.9Very high158 Ų15846 Ų4674%0.73823%0.227SC*.Hα-helixtrans-61.8-38.4172.4-173.7-179.4-179.200111.1Y786 Q787 E788E784-Y786 VanDerWaalsContact C-N 3.31Å; E784-Y786 PolarHBondContact O-N 3Å; E784-Q787 PolarHBondContact O-N 3.23Å; E784-Q787 VanDerWaalsContact O-N 3.13Å; E784-E788 PolarHBondContact O-N 3.15Å
785Q95.5Very high94Very high34 Ų3448.2 Ų48.216%0.15924%0.241CC..Hα-helixtrans-62.9-36.9178.8-67.170.523.500111.7Y706 M713 V717 M778 S783 E788 F789Y706-Q785 PolarHBondContact OH-OE1 3.36Å; M713-Q785 HydrophobicContact CG-CG 3.9Å; V717-Q785 HydrophobicContact CG2-CB 3.95Å; V717-Q785 HydrophobicContact CG2-CG 4.47Å; M778-Q785 HydrophobicContact CB-CB 4.15Å; M778-Q785 WeakPolarHBondContact O-CB 3.27Å; S783-Q785 VanDerWaalsContact C-N 3.26Å; S783-Q785 PolarHBondContact O-N 3.02Å; Q785-E788 PolarHBondContact O-N 3.21Å; Q785-F789 WeakPolarHBondContact O-CB 3.28Å; Q785-F789 PolarHBondContact O-N 2.63Å
786Y95.1Very high94.2Very high4 Ų448.1 Ų48.12%0.01624%0.24CC..Hα-helixtrans-70.2-35.9174.4-177.7-104.2000112.4V775 M778 G780 M781 S783 E784 F789 R790 I854V775-Y786 HydrophobicContact CG1-CD2 3.98Å; V775-Y786 HydrophobicContact CG1-CE2 3.99Å; V775-Y786 HydrophobicContact CG2-CE2 4.1Å; M778-Y786 HydrophobicContact SD-CD2 4.07Å; G780-Y786 VanDerWaalsContact O-CB 3.3Å; G780-Y786 WeakPolarHBondContact O-CB 3.3Å; M781-Y786 HydrophobicContact CB-CD1 4.38Å; M781-Y786 HydrophobicContact CB-CE1 4.25Å; M781-Y786 HydrophobicContact CG-CE1 4.46Å; M781-Y786 VanDerWaalsContact O-CD1 3.26Å; M781-Y786 WeakPolarHBondContact O-CD1 3.03Å; S783-Y786 PolarHBondContact O-N 3.48Å; S783-Y786 WeakPolarHBondContact OG-CB 3.4Å; S783-Y786 PolarHBondContact OG-N 2.86Å; S783-Y786 VanDerWaalsContact OG-N 3.07Å; E784-Y786 VanDerWaalsContact C-N 3.31Å; E784-Y786 PolarHBondContact O-N 3Å; Y786-F789 HydrophobicContact CD2-CD1 4.07Å; Y786-F789 AromaticContact CE2-CD1 3.98Å; Y786-F789 HydrophobicContact CE2-CD1 3.98Å; Y786-F789 HydrophobicContact CE2-CE1 4.23Å; Y786-F789 WeakPolarHBondContact O-CB 3.27Å; Y786-F789 PolarHBondContact O-N 3.2Å; Y786-R790 HydrophobicContact CD1-CG 4.49Å; Y786-R790 HydrophobicContact CE1-CG 4.15Å; Y786-R790 WeakPolarHBondContact O-CG 3.37Å; Y786-R790 PolarHBondContact O-N 3.38Å; Y786-I854 WeakPolarHBondContact OH-CG2 2.99Å
787Q95.1Very high94.5Very high89 Ų8943.6 Ų43.642%0.41622%0.219SC..Hα-helixtrans-66.7-39.2173.5-62.2-59.2-18.100111.6S783 E784 R790 K791S783-Q787 PolarHBondContact O-N 2.93Å; E784-Q787 PolarHBondContact O-N 3.23Å; E784-Q787 VanDerWaalsContact O-N 3.13Å; Q787-R790 PolarHBondContact O-N 3.02Å; Q787-K791 PolarHBondContact O-N 3.2Å
788E96.2Very high94.8Very high63 Ų6345 Ų4529%0.29423%0.226SC..Hα-helixtrans-64.7-42.6173.5-172.757.8-155.200111.2V717 E784 Q785 R790 K791 Q792V717-E788 HydrophobicContact CG1-CB 4.42Å; V717-E788 HydrophobicContact CG1-CG 4.37Å; E784-E788 PolarHBondContact O-N 3.15Å; Q785-E788 PolarHBondContact O-N 3.21Å; E788-R790 VanDerWaalsContact C-N 3.31Å; E788-R790 PolarHBondContact O-N 3.34Å; E788-K791 WeakPolarHBondContact O-CB 2.85Å; E788-K791 PolarHBondContact O-N 3.04Å; E788-Q792 HydrophobicContact CG-CG 4.32Å; E788-Q792 WeakPolarHBondContact O-CB 3.46Å; E788-Q792 VanDerWaalsContact O-CG 3.23Å; E788-Q792 WeakPolarHBondContact O-CG 3.19Å; E788-Q792 PolarHBondContact O-N 3.34Å; E788-Q792 PolarHBondContact OE1-NE2 3.43Å
789F97.2Very high94.9Very high0 Ų046.4 Ų46.40%023%0.233CC..Hα-helixtrans-52-48.5171.7163.2-97.6000112.1V717 C720 A721 C724 L770 M778 Q785 Y786 K791 Q792 C793 I854V717-F789 HydrophobicContact CG1-CB 3.97Å; C720-F789 HydrophobicContact CB-CD2 4.43Å; C720-F789 HydrophobicContact CB-CE2 4.4Å; A721-F789 HydrophobicContact CB-CD2 3.72Å; A721-F789 HydrophobicContact CB-CE2 4.05Å; C724-F789 HydrophobicContact CB-CZ 4.44Å; L770-F789 HydrophobicContact CD1-CZ 4Å; L770-F789 HydrophobicContact CD2-CE1 4.06Å; L770-F789 HydrophobicContact CD2-CZ 4.16Å; M778-F789 HydrophobicContact CE-CB 4.11Å; M778-F789 HydrophobicContact CE-CD2 3.46Å; M778-F789 VanDerWaalsContact CE-CD2 3.46Å; M778-F789 HydrophobicContact CE-CE2 3.96Å; M778-F789 HydrophobicContact CE-CG 3.79Å; M778-F789 HydrophobicContact SD-CB 3.66Å; M778-F789 HydrophobicContact SD-CD1 4.3Å; M778-F789 HydrophobicContact SD-CD2 4.11Å; M778-F789 HydrophobicContact SD-CG 3.77Å; Q785-F789 WeakPolarHBondContact O-CB 3.28Å; Q785-F789 PolarHBondContact O-N 2.63Å; Y786-F789 HydrophobicContact CD2-CD1 4.07Å; Y786-F789 AromaticContact CE2-CD1 3.98Å; Y786-F789 HydrophobicContact CE2-CD1 3.98Å; Y786-F789 HydrophobicContact CE2-CE1 4.23Å; Y786-F789 WeakPolarHBondContact O-CB 3.27Å; Y786-F789 PolarHBondContact O-N 3.2Å; F789-K791 PolarHBondContact O-N 2.97Å; F789-Q792 PolarHBondContact O-N 3.18Å; F789-C793 VanDerWaalsContact CZ-SG 3.57Å; F789-C793 PolarHBondContact O-N 2.88Å; F789-C793 PolarHBondContact O-SG 3.11Å; F789-C793 VanDerWaalsContact O-SG 3.33Å; F789-I854 HydrophobicContact CE1-CD1 4.45Å; F789-I854 HydrophobicContact CE1-CG2 4.45Å
790R96.3Very high95.2Very high30 Ų3045 Ų4511%0.11322%0.217CC..Hα-helixtrans-60.3-47.3178.8-72.1176.391.7-154.913.4111.5Y786 Q787 E788 Q792 C793 Y794 Q851 I854 D855Y786-R790 HydrophobicContact CD1-CG 4.49Å; Y786-R790 HydrophobicContact CE1-CG 4.15Å; Y786-R790 WeakPolarHBondContact O-CG 3.37Å; Y786-R790 PolarHBondContact O-N 3.38Å; Q787-R790 PolarHBondContact O-N 3.02Å; E788-R790 VanDerWaalsContact C-N 3.31Å; E788-R790 PolarHBondContact O-N 3.34Å; R790-Q792 PolarHBondContact O-N 3.36Å; R790-C793 WeakPolarHBondContact O-CB 3.47Å; R790-C793 PolarHBondContact O-N 3.49Å; R790-Y794 HydrophobicContact CB-CE2 3.95Å; R790-Y794 PolarHBondContact NE-OH 3.43Å; R790-Y794 WeakPolarHBondContact O-CD1 3.26Å; R790-Y794 WeakPolarHBondContact O-CD2 3.36Å; R790-Y794 WeakPolarHBondContact O-CE2 3.46Å; R790-Y794 PolarHBondContact O-N 3.35Å; R790-Q851 VanDerWaalsContact NH2-CG 3.34Å; R790-I854 HydrophobicContact CG-CD1 4.44Å; R790-I854 HydrophobicContact CG-CG2 4.48Å; R790-D855 IonicContact CZ-OD1 3.91Å; R790-D855 IonicContact NE-OD1 2.71Å; R790-D855 IonicContact NH2-OD1 2.96Å; R790-D855 PolarHBondContact NH2-OD1 2.87Å; R790-D855 IonicContact NH2-OD2 3.88Å; R790-D855 PolarHBondContact NH2-OD2 2.87Å; R790-D855 VanDerWaalsContact NH2-OD2 3.08Å
791K96.4Very high95.5Very high118 Ų11844.9 Ų44.951%0.51321%0.211SC..Hα-helixtrans-57.7-48.4176.8-177.4-174.9171.9-166.60111.3Q787 E788 F789 C793 Y794 T795Q787-K791 PolarHBondContact O-N 3.2Å; E788-K791 WeakPolarHBondContact O-CB 2.85Å; E788-K791 PolarHBondContact O-N 3.04Å; F789-K791 PolarHBondContact O-N 2.97Å; K791-C793 VanDerWaalsContact C-N 3.3Å; K791-C793 PolarHBondContact O-N 3.37Å; K791-Y794 PolarHBondContact O-N 2.74Å; K791-T795 PolarHBondContact O-N 3.29Å; K791-T795 PolarHBondContact O-OG1 3.27Å
792Q97.5Very high95.7Very high20 Ų2048.5 Ų48.59%0.09322%0.221CC..Hα-helixtrans-59-40.7177.1-66.1-66.8-25.200111.6L654 L656 A721 E788 F789 R790 A796L654-Q792 VanDerWaalsContact CD1-OE1 3.25Å; L656-Q792 HydrophobicContact CD2-CB 4.3Å; L656-Q792 VanDerWaalsContact CD2-OE1 3.32Å; A721-Q792 HydrophobicContact CB-CB 3.62Å; E788-Q792 HydrophobicContact CG-CG 4.32Å; E788-Q792 WeakPolarHBondContact O-CB 3.46Å; E788-Q792 VanDerWaalsContact O-CG 3.23Å; E788-Q792 WeakPolarHBondContact O-CG 3.19Å; E788-Q792 PolarHBondContact O-N 3.34Å; E788-Q792 PolarHBondContact OE1-NE2 3.43Å; F789-Q792 PolarHBondContact O-N 3.18Å; R790-Q792 PolarHBondContact O-N 3.36Å; Q792-A796 WeakPolarHBondContact O-CB 3.49Å; Q792-A796 PolarHBondContact O-N 3.47Å
793C97.4Very high96Very high0 Ų041.4 Ų41.40%019%0.186CC..Hα-helixtrans-60.3-47.1175.2-740000112.6V725 F789 R790 K791 F797 I854V725-C793 HydrophobicContact CG2-CB 3.86Å; V725-C793 WeakPolarHBondContact CG2-O 3.44Å; F789-C793 VanDerWaalsContact CZ-SG 3.57Å; F789-C793 PolarHBondContact O-N 2.88Å; F789-C793 PolarHBondContact O-SG 3.11Å; F789-C793 VanDerWaalsContact O-SG 3.33Å; R790-C793 WeakPolarHBondContact O-CB 3.47Å; R790-C793 PolarHBondContact O-N 3.49Å; K791-C793 VanDerWaalsContact C-N 3.3Å; K791-C793 PolarHBondContact O-N 3.37Å; C793-F797 VanDerWaalsContact O-CB 3.32Å; C793-F797 WeakPolarHBondContact O-CB 3.12Å; C793-F797 PolarHBondContact O-N 3.48Å; C793-I854 HydrophobicContact CB-CD1 3.9Å
794Y95.7Very high96Very high31 Ų3141.3 Ų41.312%0.12219%0.186CC..Hα-helixtrans-65.9-46.2-178.8-48.8-31.2000111.4R790 K791 F797 L798 V847 M850 Q851 I854R790-Y794 HydrophobicContact CB-CE2 3.95Å; R790-Y794 PolarHBondContact NE-OH 3.43Å; R790-Y794 WeakPolarHBondContact O-CD1 3.26Å; R790-Y794 WeakPolarHBondContact O-CD2 3.36Å; R790-Y794 WeakPolarHBondContact O-CE2 3.46Å; R790-Y794 PolarHBondContact O-N 3.35Å; K791-Y794 PolarHBondContact O-N 2.74Å; Y794-F797 PolarHBondContact O-N 3.14Å; Y794-L798 WeakPolarHBondContact O-CG 3.27Å; Y794-L798 PolarHBondContact O-N 2.89Å; Y794-V847 HydrophobicContact CD2-CG1 4.25Å; Y794-V847 HydrophobicContact CG-CG1 4.22Å; Y794-M850 HydrophobicContact CD1-CB 3.93Å; Y794-M850 HydrophobicContact CD1-CG 3.63Å; Y794-M850 HydrophobicContact CE1-CB 4.27Å; Y794-M850 HydrophobicContact CE1-CG 3.98Å; Y794-Q851 HydrophobicContact CE1-CB 4.14Å; Y794-I854 HydrophobicContact CD1-CD1 4.48Å; Y794-I854 HydrophobicContact CE1-CD1 3.67Å
795T96.6Very high95.8Very high49 Ų4936.1 Ų36.130%0.30116%0.163SC..Hα-helixtrans-63.3-45.4179.3-52.50000110.8L654 K791 F797 L798 H799L654-T795 HydrophobicContact CD2-CG2 3.99Å; K791-T795 PolarHBondContact O-N 3.29Å; K791-T795 PolarHBondContact O-OG1 3.27Å; T795-F797 PolarHBondContact O-N 2.91Å; T795-L798 PolarHBondContact O-N 2.77Å; T795-H799 WeakPolarHBondContact CG2-NE2 3.38Å; T795-H799 PolarHBondContact O-CD2 2.88Å; T795-H799 PolarHBondContact O-N 3.2Å
796A97.9Very high95.7Very high1 Ų134.6 Ų34.61%0.00816%0.156CC..Hα-helixtrans-60.6-44.3175.900000112.3L649 L654 L656 V725 Q792 H799 L800L649-A796 HydrophobicContact CD2-CB 4.11Å; L654-A796 HydrophobicContact CD2-CB 4.13Å; L656-A796 HydrophobicContact CD1-CB 3.62Å; V725-A796 HydrophobicContact CG1-CB 4.46Å; V725-A796 HydrophobicContact CG2-CB 4.39Å; Q792-A796 WeakPolarHBondContact O-CB 3.49Å; Q792-A796 PolarHBondContact O-N 3.47Å; A796-H799 PolarHBondContact O-N 3.24Å; A796-L800 WeakPolarHBondContact O-CB 3.28Å; A796-L800 WeakPolarHBondContact O-CG 3.07Å; A796-L800 PolarHBondContact O-N 2.89Å
797F97.8Very high95.6Very high1 Ų134.4 Ų34.40%0.00416%0.155CC..Hα-helixtrans-61.5-46178.5-176.9-122.8000112V725 Y728 I729 C793 Y794 T795 L800 R801 A846 M850V725-F797 HydrophobicContact CG1-CB 4.13Å; V725-F797 HydrophobicContact CG1-CD2 4.36Å; Y728-F797 HydrophobicContact CE1-CE2 4.15Å; I729-F797 HydrophobicContact CD1-CD2 4.23Å; I729-F797 HydrophobicContact CG1-CD2 4.42Å; I729-F797 HydrophobicContact CG1-CE2 4.4Å; C793-F797 VanDerWaalsContact O-CB 3.32Å; C793-F797 WeakPolarHBondContact O-CB 3.12Å; C793-F797 PolarHBondContact O-N 3.48Å; Y794-F797 PolarHBondContact O-N 3.14Å; T795-F797 PolarHBondContact O-N 2.91Å; F797-L800 PolarHBondContact O-N 3.45Å; F797-R801 HydrophobicContact CD2-CG 4.39Å; F797-R801 VanDerWaalsContact CE1-CD 3.5Å; F797-R801 HydrophobicContact CE1-CG 4.34Å; F797-R801 HydrophobicContact CE2-CG 4.18Å; F797-R801 HydrophobicContact CZ-CG 4.15Å; F797-R801 WeakPolarHBondContact O-CB 3.13Å; F797-R801 VanDerWaalsContact O-CG 3.25Å; F797-R801 WeakPolarHBondContact O-CG 3.3Å; F797-R801 PolarHBondContact O-N 2.86Å; F797-A846 HydrophobicContact CE1-CB 4.09Å; F797-M850 HydrophobicContact CB-CE 3.97Å; F797-M850 HydrophobicContact CD1-CB 4.24Å; F797-M850 HydrophobicContact CD1-CE 3.62Å; F797-M850 HydrophobicContact CD2-CE 3.45Å; F797-M850 VanDerWaalsContact CD2-CE 3.45Å; F797-M850 HydrophobicContact CE1-CE 3.83Å; F797-M850 HydrophobicContact CE2-CE 3.71Å; F797-M850 HydrophobicContact CG-CE 3.41Å; F797-M850 VanDerWaalsContact CG-CE 3.41Å; F797-M850 HydrophobicContact CZ-CE 3.89Å
798L96.9Very high95.5Very high32 Ų3230.2 Ų30.217%0.16814%0.136CC..Hα-helixtrans-62.6-43.8177.7-71.3-179.2000112.6Y794 T795 R801 R802 D843 A846 V847Y794-L798 WeakPolarHBondContact O-CG 3.27Å; Y794-L798 PolarHBondContact O-N 2.89Å; T795-L798 PolarHBondContact O-N 2.77Å; L798-R801 PolarHBondContact O-N 3.34Å; L798-R802 PolarHBondContact O-N 3.28Å; L798-D843 HydrophobicContact CD2-CB 4.07Å; L798-A846 HydrophobicContact CD2-CB 4.32Å; L798-V847 HydrophobicContact CD1-CG2 3.67Å; L798-V847 HydrophobicContact CD2-CG2 4.19Å; L798-V847 HydrophobicContact CG-CG2 4.07Å
799H96.9Very high95.3Very high29 Ų2927.3 Ų27.313%0.13412%0.122CC..Hα-helixtrans-62.7-46.5176.6-70.8-59000111.3L649 E652 T795 A796 R801 R802 Y803L649-H799 HydrophobicContact CD2-CB 4.04Å; E652-H799 HydrophobicContact CG-CB 4.27Å; E652-H799 WeakPolarHBondContact CG-ND1 3.44Å; E652-H799 IonicContact OE2-CE1 3.45Å; E652-H799 PolarHBondContact OE2-CE1 3.31Å; E652-H799 IonicContact OE2-ND1 2.76Å; E652-H799 PolarHBondContact OE2-ND1 3.05Å; T795-H799 WeakPolarHBondContact CG2-NE2 3.38Å; T795-H799 PolarHBondContact O-CD2 2.88Å; T795-H799 PolarHBondContact O-N 3.2Å; A796-H799 PolarHBondContact O-N 3.24Å; H799-R801 VanDerWaalsContact C-N 3.31Å; H799-R801 PolarHBondContact O-N 3.45Å; H799-R802 WeakPolarHBondContact O-CB 3.39Å; H799-R802 PolarHBondContact O-N 3.39Å; H799-Y803 VanDerWaalsContact O-CD2 3.27Å; H799-Y803 WeakPolarHBondContact O-CD2 3.27Å
800L97.2Very high95.1Very high1 Ų127.4 Ų27.41%0.00512%0.122CC..Hα-helixtrans-64.2-33.6177.9-67.5177.8000112.7M645 L649 V725 I726 I729 A796 F797 R802 Y803 S804 F837M645-L800 HydrophobicContact CB-CD2 3.85Å; M645-L800 HydrophobicContact CG-CD1 4.5Å; M645-L800 HydrophobicContact CG-CD2 3.84Å; M645-L800 HydrophobicContact SD-CD1 4.29Å; L649-L800 HydrophobicContact CD1-CD1 4.45Å; L649-L800 HydrophobicContact CD1-CD2 4.3Å; L649-L800 HydrophobicContact CD1-CG 4.48Å; L649-L800 HydrophobicContact CD2-CD2 4.26Å; L649-L800 HydrophobicContact CD2-CG 4.1Å; L649-L800 HydrophobicContact CG-CD2 3.99Å; L649-L800 HydrophobicContact CG-CG 4.31Å; V725-L800 HydrophobicContact CG1-CD1 4.14Å; I726-L800 HydrophobicContact CG1-CD1 4.15Å; I729-L800 HydrophobicContact CD1-CB 4.03Å; I729-L800 HydrophobicContact CD1-CD1 3.63Å; I729-L800 HydrophobicContact CD1-CG 4.5Å; A796-L800 WeakPolarHBondContact O-CB 3.28Å; A796-L800 WeakPolarHBondContact O-CG 3.07Å; A796-L800 PolarHBondContact O-N 2.89Å; F797-L800 PolarHBondContact O-N 3.45Å; L800-R802 VanDerWaalsContact C-N 3.31Å; L800-R802 PolarHBondContact O-N 2.75Å; L800-Y803 CarbonylContact O-C 3.47Å; L800-Y803 PolarHBondContact O-N 2.76Å; L800-S804 PolarHBondContact O-N 3.27Å; L800-F837 HydrophobicContact CB-CE1 4.17Å; L800-F837 WeakPolarHBondContact O-CE1 3.26Å
801R95.7Very high94.9Very high17 Ų1726 Ų266%0.06412%0.117CC..Hα-helixtrans-59.4-38.6173.9-77.8174.182.1-1224.1112.6F797 L798 H799 Y803 S804 F837 R838 L841 D843F797-R801 HydrophobicContact CD2-CG 4.39Å; F797-R801 VanDerWaalsContact CE1-CD 3.5Å; F797-R801 HydrophobicContact CE1-CG 4.34Å; F797-R801 HydrophobicContact CE2-CG 4.18Å; F797-R801 HydrophobicContact CZ-CG 4.15Å; F797-R801 WeakPolarHBondContact O-CB 3.13Å; F797-R801 VanDerWaalsContact O-CG 3.25Å; F797-R801 WeakPolarHBondContact O-CG 3.3Å; F797-R801 PolarHBondContact O-N 2.86Å; L798-R801 PolarHBondContact O-N 3.34Å; H799-R801 VanDerWaalsContact C-N 3.31Å; H799-R801 PolarHBondContact O-N 3.45Å; R801-Y803 VanDerWaalsContact C-N 3.26Å; R801-Y803 PolarHBondContact O-N 3.26Å; R801-S804 WeakPolarHBondContact O-CB 3.46Å; R801-S804 PolarHBondContact O-N 3.19Å; R801-S804 PolarHBondContact O-OG 3.01Å; R801-F837 WeakPolarHBondContact CD-O 3.24Å; R801-F837 HydrophobicContact CG-CD1 3.97Å; R801-F837 WeakPolarHBondContact CG-O 3.47Å; R801-F837 PolarHBondContact NE-O 2.95Å; R801-R838 PolarHBondContact NH2-O 3.37Å; R801-L841 PolarHBondContact NH2-O 3.4Å; R801-D843 IonicContact CZ-OD1 3.93Å; R801-D843 IonicContact NH1-OD1 4Å; R801-D843 PolarHBondContact NH1-OD1 3.12Å
802R92.4Very high94.6Very high151 Ų15121.6 Ų21.657%0.5710%0.101SC*.Hα-helixtrans-64-30.6177.8-66.7174.1-177.91761.6112.9L798 H799 L800 D843L798-R802 PolarHBondContact O-N 3.28Å; H799-R802 WeakPolarHBondContact O-CB 3.39Å; H799-R802 PolarHBondContact O-N 3.39Å; L800-R802 VanDerWaalsContact C-N 3.31Å; L800-R802 PolarHBondContact O-N 2.75Å; R802-D843 IonicContact NH2-OD2 3.93Å
803Y93.4Very high94.3Very high33 Ų3320.7 Ų20.713%0.12910%0.097CC..THydrogen-bonded Turntrans-98.415.4177.5-62.9-76.1000113.5L648 E652 H799 L800 R801 N805 L806 I807L648-Y803 HydrophobicContact CB-CD2 4.19Å; L648-Y803 HydrophobicContact CB-CE2 4.5Å; L648-Y803 HydrophobicContact CB-CG 4.5Å; L648-Y803 HydrophobicContact CD1-CD2 4.5Å; L648-Y803 HydrophobicContact CD1-CG 4.07Å; L648-Y803 HydrophobicContact CD2-CD1 3.79Å; L648-Y803 HydrophobicContact CD2-CD2 4.32Å; L648-Y803 HydrophobicContact CD2-CE1 4.02Å; L648-Y803 HydrophobicContact CD2-CG 3.96Å; L648-Y803 HydrophobicContact CG-CG 4.4Å; E652-Y803 HydrophobicContact CG-CE2 3.99Å; E652-Y803 PolarHBondContact OE1-OH 2.96Å; H799-Y803 VanDerWaalsContact O-CD2 3.27Å; H799-Y803 WeakPolarHBondContact O-CD2 3.27Å; L800-Y803 CarbonylContact O-C 3.47Å; L800-Y803 PolarHBondContact O-N 2.76Å; R801-Y803 VanDerWaalsContact C-N 3.26Å; R801-Y803 PolarHBondContact O-N 3.26Å; Y803-N805 VanDerWaalsContact C-N 3.3Å; Y803-N805 PolarHBondContact O-N 2.75Å; Y803-L806 PolarHBondContact O-N 2.99Å; Y803-I807 PolarHBondContact O-N 2.82Å
804S93.6Very high94Very high7 Ų720.7 Ų20.75%0.04910%0.097CC..Hα-helixtrans-58.6-38.8-176.455.20000112.7L800 R801 L806 I807 L808 L839L800-S804 PolarHBondContact O-N 3.27Å; R801-S804 WeakPolarHBondContact O-CB 3.46Å; R801-S804 PolarHBondContact O-N 3.19Å; R801-S804 PolarHBondContact O-OG 3.01Å; S804-L806 PolarHBondContact O-N 3.22Å; S804-I807 PolarHBondContact O-N 3.04Å; S804-L808 WeakPolarHBondContact O-CB 3.39Å; S804-L808 WeakPolarHBondContact O-CG 3.47Å; S804-L808 PolarHBondContact O-N 2.93Å; S804-L839 WeakPolarHBondContact OG-CD2 3.18Å
805N90.8Very high93.5Very high48 Ų4820.4 Ų20.426%0.25710%0.098SC..Hα-helixtrans-57.3-45.9179-72.2-9.8000112.7P304 Y803 I807 L808 N809P304-N805 VanDerWaalsContact CD-OD1 3.28Å; P304-N805 WeakPolarHBondContact CD-OD1 3.28Å; P304-N805 HydrophobicContact CG-CB 4.35Å; Y803-N805 VanDerWaalsContact C-N 3.3Å; Y803-N805 PolarHBondContact O-N 2.75Å; N805-I807 PolarHBondContact O-N 3.37Å; N805-L808 PolarHBondContact O-N 3.32Å; N805-N809 WeakPolarHBondContact O-CB 3.39Å; N805-N809 PolarHBondContact O-N 2.81Å; N805-N809 PolarHBondContact O-ND2 2.85Å
806L92.8Very high92.8Very high3 Ų322.1 Ų22.12%0.01611%0.106CC..Hα-helixtrans-59.7-49176.8172.459.5000111E361 L364 Y395 L644 L648 Y803 S804 L808 N809 L810E361-L806 HydrophobicContact CB-CD1 4.02Å; E361-L806 HydrophobicContact CB-CD2 4.43Å; E361-L806 HydrophobicContact CG-CD1 4.29Å; E361-L806 HydrophobicContact CG-CD2 4.03Å; L364-L806 HydrophobicContact CD1-CD1 3.64Å; Y395-L806 HydrophobicContact CE1-CD1 3.95Å; Y395-L806 HydrophobicContact CE1-CD2 4.38Å; L644-L806 HydrophobicContact CD1-CD2 4.22Å; L644-L806 HydrophobicContact CD2-CD2 4.22Å; L644-L806 HydrophobicContact CD2-CG 4.34Å; L648-L806 HydrophobicContact CD1-CD2 4.37Å; L648-L806 HydrophobicContact CD2-CD2 4.36Å; Y803-L806 PolarHBondContact O-N 2.99Å; S804-L806 PolarHBondContact O-N 3.22Å; L806-L808 VanDerWaalsContact C-N 3.33Å; L806-L808 PolarHBondContact O-N 2.89Å; L806-N809 PolarHBondContact O-N 3.39Å; L806-L810 HydrophobicContact CD1-CD1 4.15Å; L806-L810 HydrophobicContact CD1-CG 4.23Å; L806-L810 HydrophobicContact CG-CD1 4.3Å; L806-L810 WeakPolarHBondContact O-CG 3.34Å; L806-L810 PolarHBondContact O-N 2.89Å
807I94.1Very high92.1Very high0 Ų022.2 Ų22.20%011%0.106CC..Hα-helixtrans-62.3-43.3-179.3-63.8164.4000110.4M645 Y803 S804 N805 L810 F811 F837M645-I807 HydrophobicContact CE-CD1 3.77Å; M645-I807 HydrophobicContact CE-CG2 4.17Å; M645-I807 HydrophobicContact CG-CD1 4.17Å; Y803-I807 PolarHBondContact O-N 2.82Å; S804-I807 PolarHBondContact O-N 3.04Å; N805-I807 PolarHBondContact O-N 3.37Å; I807-L810 PolarHBondContact O-N 2.86Å; I807-F811 HydrophobicContact CG2-CD2 3.94Å; I807-F811 HydrophobicContact CG2-CE2 3.91Å; I807-F811 VanDerWaalsContact O-CD2 3.29Å; I807-F811 WeakPolarHBondContact O-CD2 3.46Å; I807-F811 PolarHBondContact O-N 2.83Å; I807-F837 HydrophobicContact CB-CZ 4.38Å; I807-F837 HydrophobicContact CD1-CE1 4.48Å; I807-F837 HydrophobicContact CD1-CZ 3.77Å; I807-F837 HydrophobicContact CG2-CE2 4.22Å; I807-F837 HydrophobicContact CG2-CZ 4.24Å
808L92.9Very high91.2Very high1 Ų124.2 Ų24.21%0.00512%0.117CC..Hα-helixtrans-65.5-39.8177.4-67.2174.3000112.2S804 N805 L806 F811 S812 V830 V833 Q834 L839S804-L808 WeakPolarHBondContact O-CB 3.39Å; S804-L808 WeakPolarHBondContact O-CG 3.47Å; S804-L808 PolarHBondContact O-N 2.93Å; N805-L808 PolarHBondContact O-N 3.32Å; L806-L808 VanDerWaalsContact C-N 3.33Å; L806-L808 PolarHBondContact O-N 2.89Å; L808-F811 PolarHBondContact O-N 3.45Å; L808-S812 WeakPolarHBondContact O-CB 3.04Å; L808-S812 PolarHBondContact O-N 3.28Å; L808-V830 HydrophobicContact CB-CG1 4.2Å; L808-V830 HydrophobicContact CD2-CG1 3.88Å; L808-V833 HydrophobicContact CD2-CB 4.21Å; L808-V833 HydrophobicContact CD2-CG1 4.09Å; L808-Q834 HydrophobicContact CD1-CB 4.16Å; L808-Q834 HydrophobicContact CD1-CG 4.18Å; L808-Q834 HydrophobicContact CD2-CB 3.79Å; L808-L839 HydrophobicContact CD1-CD1 4.32Å
809N92.1Very high90.5Very high2 Ų222.9 Ų22.91%0.01111%0.11CC..Hα-helixtrans-62.2-43.4175-72.8-19.8000111.1P304 L364 N805 L806 F811 S812 L813P304-N809 WeakPolarHBondContact CB-OD1 3.26Å; P304-N809 WeakPolarHBondContact CG-OD1 3.5Å; L364-N809 HydrophobicContact CB-CB 4.49Å; N805-N809 WeakPolarHBondContact O-CB 3.39Å; N805-N809 PolarHBondContact O-N 2.81Å; N805-N809 PolarHBondContact O-ND2 2.85Å; L806-N809 PolarHBondContact O-N 3.39Å; N809-F811 PolarHBondContact O-N 2.75Å; N809-S812 WeakPolarHBondContact O-CB 3.26Å; N809-S812 PolarHBondContact O-N 2.98Å; N809-S812 VanDerWaalsContact O-N 3.14Å; N809-L813 WeakPolarHBondContact O-CG 3.16Å; N809-L813 PolarHBondContact O-N 3.42Å
810L93.1Very high89.4Confident1 Ų124.4 Ų24.41%0.00512%0.123CC..Hα-helixtrans-63.2-41.8176.5-67.9172.3000112.2L364 Y395 Q398 I641 L644 L806 I807 S812 L813 M814L364-L810 HydrophobicContact CD1-CD2 3.92Å; Y395-L810 HydrophobicContact CD1-CD1 3.97Å; Y395-L810 HydrophobicContact CD1-CD2 3.6Å; Y395-L810 HydrophobicContact CD1-CG 4.38Å; Y395-L810 HydrophobicContact CE1-CD1 4.09Å; Y395-L810 HydrophobicContact CE1-CD2 4.38Å; Y395-L810 HydrophobicContact CG-CD2 4.18Å; Q398-L810 HydrophobicContact CB-CD2 4Å; Q398-L810 HydrophobicContact CG-CB 4.06Å; Q398-L810 HydrophobicContact CG-CD2 3.68Å; Q398-L810 HydrophobicContact CG-CG 4.47Å; Q398-L810 WeakPolarHBondContact CG-O 3.15Å; I641-L810 HydrophobicContact CD1-CB 4.18Å; I641-L810 HydrophobicContact CD1-CD1 4.1Å; L644-L810 HydrophobicContact CD2-CD1 3.19Å; L806-L810 HydrophobicContact CD1-CD1 4.15Å; L806-L810 HydrophobicContact CD1-CG 4.23Å; L806-L810 HydrophobicContact CG-CD1 4.3Å; L806-L810 WeakPolarHBondContact O-CG 3.34Å; L806-L810 PolarHBondContact O-N 2.89Å; I807-L810 PolarHBondContact O-N 2.86Å; L810-S812 VanDerWaalsContact C-N 3.33Å; L810-L813 PolarHBondContact O-N 3.3Å; L810-M814 WeakPolarHBondContact O-CG 3.48Å; L810-M814 PolarHBondContact O-N 3.34Å
811F91.9Very high88.3Confident1 Ų125.1 Ų25.10%0.00413%0.126CC..Hα-helixtrans-65-37.5172.4-85.3-71.7000112.2L637 I641 L730 I807 L808 N809 L813 M814 V815 T829 V830 V833L637-F811 HydrophobicContact CD2-CE1 4.45Å; I641-F811 HydrophobicContact CD1-CE2 4.49Å; I641-F811 HydrophobicContact CG1-CE2 4.27Å; I641-F811 HydrophobicContact CG1-CZ 4.16Å; I641-F811 HydrophobicContact CG2-CE2 4.25Å; L730-F811 HydrophobicContact CD2-CE2 3.8Å; L730-F811 HydrophobicContact CD2-CZ 3.74Å; I807-F811 HydrophobicContact CG2-CD2 3.94Å; I807-F811 HydrophobicContact CG2-CE2 3.91Å; I807-F811 VanDerWaalsContact O-CD2 3.29Å; I807-F811 WeakPolarHBondContact O-CD2 3.46Å; I807-F811 PolarHBondContact O-N 2.83Å; L808-F811 PolarHBondContact O-N 3.45Å; N809-F811 PolarHBondContact O-N 2.75Å; F811-L813 VanDerWaalsContact C-N 3.26Å; F811-L813 PolarHBondContact O-N 2.71Å; F811-M814 PolarHBondContact O-N 2.96Å; F811-V815 PolarHBondContact O-N 2.76Å; F811-T829 HydrophobicContact CD1-CG2 4.19Å; F811-V830 HydrophobicContact CB-CG2 4.31Å; F811-V833 HydrophobicContact CD2-CG1 4.3Å; F811-V833 HydrophobicContact CD2-CG2 4.26Å; F811-V833 HydrophobicContact CE2-CG1 4.32Å; F811-V833 HydrophobicContact CE2-CG2 4.23Å; F811-V833 HydrophobicContact CZ-CG2 4.45Å
812S90.1Very high87.4Confident25 Ų2524.3 Ų24.318%0.17512%0.123CC..Hα-helixtrans-62-32.8177.4-170.80000112.8L808 N809 L810 M814L808-S812 WeakPolarHBondContact O-CB 3.04Å; L808-S812 PolarHBondContact O-N 3.28Å; N809-S812 WeakPolarHBondContact O-CB 3.26Å; N809-S812 PolarHBondContact O-N 2.98Å; N809-S812 VanDerWaalsContact O-N 3.14Å; L810-S812 VanDerWaalsContact C-N 3.33Å; S812-M814 VanDerWaalsContact C-N 3.26Å; S812-M814 PolarHBondContact O-N 2.91Å
813L91.4Very high86.5Confident1 Ų119.3 Ų19.31%0.00511%0.114CC..THydrogen-bonded Turntrans-75.9-13.6175.7-66.2177.2000113.3L364 L367 Q398 Q401 A402 N809 L810 F811L364-L813 HydrophobicContact CB-CD1 4.41Å; L367-L813 HydrophobicContact CB-CD2 4.31Å; Q398-L813 HydrophobicContact CB-CB 3.93Å; Q398-L813 HydrophobicContact CB-CD1 3.92Å; Q398-L813 HydrophobicContact CG-CB 4.42Å; Q401-L813 VanDerWaalsContact CB-O 3.29Å; Q401-L813 WeakPolarHBondContact CB-O 3.29Å; A402-L813 HydrophobicContact CB-CD2 4.07Å; N809-L813 WeakPolarHBondContact O-CG 3.16Å; N809-L813 PolarHBondContact O-N 3.42Å; L810-L813 PolarHBondContact O-N 3.3Å; F811-L813 VanDerWaalsContact C-N 3.26Å; F811-L813 PolarHBondContact O-N 2.71Å
814M90.5Very high85.5Confident1 Ų122.9 Ų22.91%0.00514%0.135CC..THydrogen-bonded Turntrans-100.6-1.9179.8-62.3-59.8-61.200113.4L397 Q398 Q401 L637 L810 F811 S812 D816 A817 I819 I822L397-M814 HydrophobicContact CD2-CE 4.07Å; L397-M814 HydrophobicContact CG-CE 4.12Å; L397-M814 HydrophobicContact CG-SD 4.27Å; Q398-M814 HydrophobicContact CB-SD 4.39Å; Q398-M814 HydrophobicContact CG-CG 3.9Å; Q398-M814 HydrophobicContact CG-SD 3.82Å; Q401-M814 HydrophobicContact CB-SD 4.27Å; Q401-M814 HydrophobicContact CG-CE 3.91Å; Q401-M814 HydrophobicContact CG-SD 3.57Å; Q401-M814 VanDerWaalsContact CG-SD 3.57Å; L637-M814 HydrophobicContact CD1-CE 4.22Å; L637-M814 HydrophobicContact CD1-CG 3.88Å; L637-M814 HydrophobicContact CD1-SD 4.36Å; L637-M814 HydrophobicContact CD2-CB 4.37Å; L637-M814 HydrophobicContact CD2-CE 4.2Å; L637-M814 HydrophobicContact CD2-CG 4.23Å; L810-M814 WeakPolarHBondContact O-CG 3.48Å; L810-M814 PolarHBondContact O-N 3.34Å; F811-M814 PolarHBondContact O-N 2.96Å; S812-M814 VanDerWaalsContact C-N 3.26Å; S812-M814 PolarHBondContact O-N 2.91Å; M814-D816 VanDerWaalsContact C-N 3.31Å; M814-D816 PolarHBondContact O-N 2.97Å; M814-A817 HydrophobicContact CB-CB 4.48Å; M814-A817 HydrophobicContact CE-CB 3.74Å; M814-A817 WeakPolarHBondContact O-CB 3.25Å; M814-A817 PolarHBondContact O-N 2.69Å; M814-I819 HydrophobicContact CE-CD1 3.42Å; M814-I819 VanDerWaalsContact CE-CD1 3.42Å; M814-I822 HydrophobicContact CB-CD1 4.48Å
815V85.6Confident84.7Confident25 Ų2525.3 Ų25.315%0.15215%0.146CC..THydrogen-bonded Turntrans-59.6-40.7-174.2173.40000112.1F811 A817 P826 V830F811-V815 PolarHBondContact O-N 2.76Å; V815-A817 VanDerWaalsContact C-N 3.29Å; V815-P826 HydrophobicContact CG1-CB 3.59Å; V815-V830 HydrophobicContact CG2-CG2 3.74Å
816D82.2Confident83.9Confident84 Ų8424.9 Ų24.945%0.44915%0.145SC..THydrogen-bonded Turntrans-93.215.1177.5-57.6-44.2000112.7K404 Y405 M814K404-D816 PolarHBondContact NZ-O 2.84Å; Y405-D816 HydrophobicContact CE1-CB 4.47Å; Y405-D816 WeakPolarHBondContact CE1-OD2 3.26Å; Y405-D816 VanDerWaalsContact CZ-OD2 3.22Å; Y405-D816 WeakPolarHBondContact OH-CB 3.03Å; Y405-D816 VanDerWaalsContact OH-CG 3.29Å; Y405-D816 PolarHBondContact OH-OD2 3.43Å; M814-D816 VanDerWaalsContact C-N 3.31Å; M814-D816 PolarHBondContact O-N 2.97Å
817A82.8Confident83Confident3 Ų332 Ų323%0.02518%0.184CC..SBendtrans-76.9133167.500000108.7Q401 M814 V815 I819Q401-A817 HydrophobicContact CG-CB 4.24Å; M814-A817 HydrophobicContact CB-CB 4.48Å; M814-A817 HydrophobicContact CE-CB 3.74Å; M814-A817 WeakPolarHBondContact O-CB 3.25Å; M814-A817 PolarHBondContact O-N 2.69Å; V815-A817 VanDerWaalsContact C-N 3.29Å; A817-I819 HydrophobicContact CB-CD1 3.95Å; A817-I819 HydrophobicContact CB-CG1 3.94Å; A817-I819 PolarHBondContact O-N 3.39Å
818N79.2Confident82.4Confident43 Ų4337.2 Ų37.223%0.2321%0.206CC..  trans-79.852.5179.9-174.741.1000111.2D494 R633D494-N818 VanDerWaalsContact CG-ND2 3.33Å; D494-N818 PolarHBondContact OD1-ND2 3.33Å; D494-N818 VanDerWaalsContact OD2-CB 3.26Å; D494-N818 WeakPolarHBondContact OD2-CB 3.48Å; D494-N818 PolarHBondContact OD2-ND2 2.85Å; R633-N818 PolarHBondContact NH1-O 3.31Å; R633-N818 PolarHBondContact NH2-O 3.37Å
819I81.5Confident82Confident4 Ų437.3 Ų37.32%0.02121%0.207CC..  trans-92.2134.5178.8-63.5177.6000108.4R633 Q634 L637 M814 A817 D821 I822 A823R633-I819 HydrophobicContact CB-CD1 4.35Å; R633-I819 HydrophobicContact CB-CG1 4.1Å; Q634-I819 HydrophobicContact CB-CG2 3.77Å; Q634-I819 HydrophobicContact CG-CG2 4.23Å; L637-I819 HydrophobicContact CD2-CD1 4.03Å; M814-I819 HydrophobicContact CE-CD1 3.42Å; M814-I819 VanDerWaalsContact CE-CD1 3.42Å; A817-I819 HydrophobicContact CB-CD1 3.95Å; A817-I819 HydrophobicContact CB-CG1 3.94Å; A817-I819 PolarHBondContact O-N 3.39Å; I819-D821 PolarHBondContact O-N 2.9Å; I819-I822 HydrophobicContact CB-CB 4.31Å; I819-I822 HydrophobicContact CB-CD1 4.3Å; I819-I822 HydrophobicContact CD1-CD1 4.3Å; I819-I822 HydrophobicContact CG2-CD1 4.3Å; I819-I822 HydrophobicContact CG2-CG1 4.45Å; I819-I822 PolarHBondContact O-N 2.84Å; I819-I822 VanDerWaalsContact O-N 3.15Å; I819-A823 VanDerWaalsContact O-CB 3.26Å; I819-A823 WeakPolarHBondContact O-CB 3.35Å; I819-A823 PolarHBondContact O-N 3.15Å
820P73.6Confident81.8Confident62 Ų6237.9 Ų37.940%0.40321%0.21SC..Hα-helixtrans-48.1-57.5-166.2-30.534.8000116.3L824P820-L824 VanDerWaalsContact O-CD1 3.29Å; P820-L824 WeakPolarHBondContact O-CD1 3.48Å; P820-L824 WeakPolarHBondContact O-CG 3.34Å
821D74.7Confident81.6Confident15 Ų1543.7 Ų43.78%0.0824%0.236CC..Hα-helixtrans-74.6-30-177.5-87.2-11000113.7Q634 Y755 I756 R759 I819Q634-D821 PolarHBondContact NE2-OD2 3.29Å; Q634-D821 VanDerWaalsContact NE2-OD2 3.17Å; Q634-D821 VanDerWaalsContact OE1-N 3.15Å; Y755-D821 WeakPolarHBondContact CA-OD2 3.22Å; I756-D821 HydrophobicContact CD1-CB 4.2Å; I756-D821 HydrophobicContact CG1-CB 3.66Å; I756-D821 PolarHBondContact N-OD2 2.82Å; R759-D821 WeakPolarHBondContact CD-OD1 3.43Å; R759-D821 IonicContact CZ-OD1 3.24Å; R759-D821 IonicContact NE-OD1 3.95Å; R759-D821 IonicContact NH1-OD1 2.94Å; R759-D821 PolarHBondContact NH1-OD1 3.23Å; I819-D821 PolarHBondContact O-N 2.9Å
822I77.6Confident81.5Confident0 Ų046.4 Ų46.40%025%0.247CC..Hα-helixtrans-72.4-45.9179.5-64.7177.8000110.2L637 I756 L757 M814 I819 L824 E825 P826 T829L637-I822 HydrophobicContact CD2-CD1 3.41Å; L637-I822 VanDerWaalsContact CD2-CD1 3.41Å; I756-I822 HydrophobicContact CD1-CG1 4.43Å; L757-I822 HydrophobicContact CD1-CG1 4.09Å; M814-I822 HydrophobicContact CB-CD1 4.48Å; I819-I822 HydrophobicContact CB-CB 4.31Å; I819-I822 HydrophobicContact CB-CD1 4.3Å; I819-I822 HydrophobicContact CD1-CD1 4.3Å; I819-I822 HydrophobicContact CG2-CD1 4.3Å; I819-I822 HydrophobicContact CG2-CG1 4.45Å; I819-I822 PolarHBondContact O-N 2.84Å; I819-I822 VanDerWaalsContact O-N 3.15Å; I822-L824 PolarHBondContact O-N 3.09Å; I822-E825 CarbonylContact O-C 3.5Å; I822-E825 PolarHBondContact O-N 3.01Å; I822-E825 VanDerWaalsContact O-N 3.15Å; I822-P826 WeakPolarHBondContact O-CA 3.49Å; I822-P826 VanDerWaalsContact O-N 3.16Å; I822-T829 HydrophobicContact CG1-CG2 4.43Å; I822-T829 HydrophobicContact CG2-CG2 4.32Å
823A72Confident81.6Confident46 Ų4645.2 Ų45.238%0.3824%0.239SC..Hα-helixtrans-61.2-18.5-178.400000113.5I819I819-A823 VanDerWaalsContact O-CB 3.26Å; I819-A823 WeakPolarHBondContact O-CB 3.35Å; I819-A823 PolarHBondContact O-N 3.15Å
824L73.3Confident81.6Confident109 Ų10946.8 Ų46.857%0.57125%0.247SC*.Hα-helixtrans-82.2-29.9179.2-74.5160.6000113.7R759 P820 I822R759-L824 VanDerWaalsContact NH2-CD1 3.29Å; P820-L824 VanDerWaalsContact O-CD1 3.29Å; P820-L824 WeakPolarHBondContact O-CD1 3.48Å; P820-L824 WeakPolarHBondContact O-CG 3.34Å; I822-L824 PolarHBondContact O-N 3.09Å
825E76.8Confident81.7Confident57 Ų5751 Ų5127%0.26627%0.269SS..SBendtrans-141.663.2174.8-66.1-168.5112.900111.5I822 D827 K828 T829 K832I822-E825 CarbonylContact O-C 3.5Å; I822-E825 PolarHBondContact O-N 3.01Å; I822-E825 VanDerWaalsContact O-N 3.15Å; E825-D827 PolarHBondContact O-N 3.45Å; E825-K828 HydrophobicContact CB-CB 4.35Å; E825-K828 PolarHBondContact O-N 3.18Å; E825-K828 WeakPolarHBondContact OE1-CD 3.44Å; E825-K828 IonicContact OE1-NZ 3.2Å; E825-K828 PolarHBondContact OE1-NZ 3.4Å; E825-T829 PolarHBondContact O-N 3.35Å; E825-T829 VanDerWaalsContact O-N 3.16Å; E825-T829 PolarHBondContact O-OG1 3.18Å; E825-K832 WeakPolarHBondContact OE2-CE 3.48Å; E825-K832 IonicContact OE2-NZ 2.98Å; E825-K832 PolarHBondContact OE2-NZ 2.88Å
826P74.7Confident82.1Confident39 Ų3952.8 Ų52.825%0.25328%0.275SS..Hα-helixtrans-58-48.3-174.120.8-31.8000112V815 I822 K828 T829V815-P826 HydrophobicContact CG1-CB 3.59Å; I822-P826 WeakPolarHBondContact O-CA 3.49Å; I822-P826 VanDerWaalsContact O-N 3.16Å; P826-K828 PolarHBondContact O-N 3.15Å; P826-K828 VanDerWaalsContact O-N 3.08Å; P826-T829 WeakPolarHBondContact O-CB 3.34Å; P826-T829 PolarHBondContact O-N 3.36Å; P826-T829 VanDerWaalsContact O-N 3.12Å
827D72.9Confident82.7Confident153 Ų15348.8 Ų48.882%0.81825%0.253SS*.Hα-helixtrans-61.5-22.4-178.2-59.2-32.5000114.3E825E825-D827 PolarHBondContact O-N 3.45Å
828K82.3Confident83.2Confident110 Ų11051.6 Ų51.648%0.47826%0.263SS..Hα-helixtrans-102-12.5-178.6-59.5-177-165.5161.40112.9E825 P826 V830 K831 K832E825-K828 HydrophobicContact CB-CB 4.35Å; E825-K828 PolarHBondContact O-N 3.18Å; E825-K828 WeakPolarHBondContact OE1-CD 3.44Å; E825-K828 IonicContact OE1-NZ 3.2Å; E825-K828 PolarHBondContact OE1-NZ 3.4Å; P826-K828 PolarHBondContact O-N 3.15Å; P826-K828 VanDerWaalsContact O-N 3.08Å; K828-V830 PolarHBondContact O-N 3.41Å; K828-K831 PolarHBondContact O-N 3.18Å; K828-K832 HydrophobicContact CB-CG 4.5Å; K828-K832 WeakPolarHBondContact O-CG 3.49Å; K828-K832 PolarHBondContact O-N 2.89Å
829T83.9Confident83.7Confident3 Ų352.3 Ų52.32%0.01827%0.267CS..Hα-helixtrans-55.8-54.3-172.6-72.40000111.6L757 F811 I822 E825 P826 K831 K832 V833L757-T829 HydrophobicContact CD1-CG2 3.55Å; L757-T829 HydrophobicContact CD2-CG2 4.33Å; F811-T829 HydrophobicContact CD1-CG2 4.19Å; I822-T829 HydrophobicContact CG1-CG2 4.43Å; I822-T829 HydrophobicContact CG2-CG2 4.32Å; E825-T829 PolarHBondContact O-N 3.35Å; E825-T829 VanDerWaalsContact O-N 3.16Å; E825-T829 PolarHBondContact O-OG1 3.18Å; P826-T829 WeakPolarHBondContact O-CB 3.34Å; P826-T829 PolarHBondContact O-N 3.36Å; P826-T829 VanDerWaalsContact O-N 3.12Å; T829-K831 PolarHBondContact O-N 3.46Å; T829-K832 PolarHBondContact O-N 2.93Å; T829-V833 PolarHBondContact O-N 2.88Å
830V88Confident84.1Confident13 Ų1357.4 Ų57.48%0.07929%0.294CS..Hα-helixtrans-65.8-41.3-179.6-170.30000111.1T305 L808 F811 V815 K828 K832 V833 Q834T305-V830 HydrophobicContact CG2-CB 4.17Å; T305-V830 HydrophobicContact CG2-CG1 3.39Å; L808-V830 HydrophobicContact CB-CG1 4.2Å; L808-V830 HydrophobicContact CD2-CG1 3.88Å; F811-V830 HydrophobicContact CB-CG2 4.31Å; V815-V830 HydrophobicContact CG2-CG2 3.74Å; K828-V830 PolarHBondContact O-N 3.41Å; V830-K832 PolarHBondContact O-N 2.88Å; V830-V833 PolarHBondContact O-N 3.29Å; V830-Q834 WeakPolarHBondContact O-CB 3.21Å; V830-Q834 PolarHBondContact O-N 3.06Å
831K88.3Confident85Confident124 Ų12456.2 Ų56.254%0.53928%0.284SS..Hα-helixtrans-62.4-42.5-179.4-173173.7-179.2175.70112.3K828 T829 V833 Q834 D835K828-K831 PolarHBondContact O-N 3.18Å; T829-K831 PolarHBondContact O-N 3.46Å; K831-V833 VanDerWaalsContact C-N 3.32Å; K831-V833 PolarHBondContact O-N 3.2Å; K831-Q834 WeakPolarHBondContact O-CB 3.4Å; K831-Q834 PolarHBondContact O-N 3.44Å; K831-D835 WeakPolarHBondContact O-CB 3.24Å; K831-D835 PolarHBondContact O-N 3.25Å
832K89.6Confident85.9Confident57 Ų5757.6 Ų57.625%0.24830%0.295CS..Hα-helixtrans-61.1-40.5178-74.6-178.1-179.6179.30112.5L757 E825 K828 T829 V830 K836L757-K832 HydrophobicContact CB-CD 4.19Å; L757-K832 WeakPolarHBondContact O-CD 3.32Å; L757-K832 PolarHBondContact O-NZ 2.83Å; E825-K832 WeakPolarHBondContact OE2-CE 3.48Å; E825-K832 IonicContact OE2-NZ 2.98Å; E825-K832 PolarHBondContact OE2-NZ 2.88Å; K828-K832 HydrophobicContact CB-CG 4.5Å; K828-K832 WeakPolarHBondContact O-CG 3.49Å; K828-K832 PolarHBondContact O-N 2.89Å; T829-K832 PolarHBondContact O-N 2.93Å; V830-K832 PolarHBondContact O-N 2.88Å; K832-K836 WeakPolarHBondContact O-CG 3.46Å; K832-K836 PolarHBondContact O-N 3.4Å
833V91.9Very high86.6Confident1 Ų160.6 Ų60.61%0.00631%0.311CS..Hα-helixtrans-68.7-42.9176.1178.40000110.3I729 L757 L808 F811 T829 V830 K831 D835 K836 F837I729-V833 HydrophobicContact CG2-CG1 4.33Å; L757-V833 HydrophobicContact CD2-CG2 3.46Å; L757-V833 VanDerWaalsContact CD2-CG2 3.46Å; L808-V833 HydrophobicContact CD2-CB 4.21Å; L808-V833 HydrophobicContact CD2-CG1 4.09Å; F811-V833 HydrophobicContact CD2-CG1 4.3Å; F811-V833 HydrophobicContact CD2-CG2 4.26Å; F811-V833 HydrophobicContact CE2-CG1 4.32Å; F811-V833 HydrophobicContact CE2-CG2 4.23Å; F811-V833 HydrophobicContact CZ-CG2 4.45Å; T829-V833 PolarHBondContact O-N 2.88Å; V830-V833 PolarHBondContact O-N 3.29Å; K831-V833 VanDerWaalsContact C-N 3.32Å; K831-V833 PolarHBondContact O-N 3.2Å; V833-D835 PolarHBondContact O-N 3.28Å; V833-K836 WeakPolarHBondContact O-CB 3.42Å; V833-K836 PolarHBondContact O-N 3.38Å; V833-K836 VanDerWaalsContact O-N 3.15Å; V833-F837 HydrophobicContact CG1-CD2 4.18Å; V833-F837 HydrophobicContact CG1-CE2 3.72Å; V833-F837 VanDerWaalsContact O-CD2 3.32Å; V833-F837 WeakPolarHBondContact O-CD2 3.28Å; V833-F837 PolarHBondContact O-N 2.92Å
834Q92.6Very high87.7Confident34 Ų3464.7 Ų64.716%0.15932%0.322CS..Hα-helixtrans-58.8-44.3176.2-180-173.5-11.900112.6P303 T305 L808 V830 K831 K836 F837 L839P303-Q834 VanDerWaalsContact CG-NE2 3.33Å; T305-Q834 PolarHBondContact OG1-NE2 2.94Å; T305-Q834 PolarHBondContact OG1-OE1 2.75Å; L808-Q834 HydrophobicContact CD1-CB 4.16Å; L808-Q834 HydrophobicContact CD1-CG 4.18Å; L808-Q834 HydrophobicContact CD2-CB 3.79Å; V830-Q834 WeakPolarHBondContact O-CB 3.21Å; V830-Q834 PolarHBondContact O-N 3.06Å; K831-Q834 WeakPolarHBondContact O-CB 3.4Å; K831-Q834 PolarHBondContact O-N 3.44Å; Q834-K836 PolarHBondContact O-N 3.36Å; Q834-F837 WeakPolarHBondContact O-CB 3.29Å; Q834-F837 PolarHBondContact O-N 2.88Å; Q834-L839 HydrophobicContact CG-CD1 4.15Å
835D92.2Very high88.8Confident88 Ų8864.4 Ų64.447%0.47132%0.318SS..Hα-helixtrans-61-29.2179.5-68.3-17.4000111.3K831 V833 R838K831-D835 WeakPolarHBondContact O-CB 3.24Å; K831-D835 PolarHBondContact O-N 3.25Å; V833-D835 PolarHBondContact O-N 3.28Å; D835-R838 VanDerWaalsContact O-CD 3.23Å; D835-R838 WeakPolarHBondContact O-CD 3.42Å; D835-R838 PolarHBondContact O-N 3.34Å
836K93.6Very high89.6Confident64 Ų6461.7 Ų61.728%0.27831%0.305SS..Hα-helixtrans-74.6-26.4174.9-63.3-67.2-177.7179.70113.7Y728 K832 V833 Q834 R838Y728-K836 HydrophobicContact CD2-CD 4.34Å; Y728-K836 HydrophobicContact CE1-CB 4.16Å; Y728-K836 HydrophobicContact CE1-CD 4.2Å; Y728-K836 WeakPolarHBondContact CE1-O 3.44Å; Y728-K836 HydrophobicContact CE2-CD 3.8Å; K832-K836 WeakPolarHBondContact O-CG 3.46Å; K832-K836 PolarHBondContact O-N 3.4Å; V833-K836 WeakPolarHBondContact O-CB 3.42Å; V833-K836 PolarHBondContact O-N 3.38Å; V833-K836 VanDerWaalsContact O-N 3.15Å; Q834-K836 PolarHBondContact O-N 3.36Å; K836-R838 VanDerWaalsContact C-N 3.25Å; K836-R838 PolarHBondContact O-N 3.29Å
837F94.4Very high90.6Very high0 Ų061.7 Ų61.70%031%0.305CS..Hα-helixtrans-74.1-17.2175.7-79.8-69.9000113.3I729 L800 R801 I807 V833 Q834 L839I729-F837 HydrophobicContact CD1-CD1 4.47Å; I729-F837 HydrophobicContact CD1-CE1 3.9Å; I729-F837 HydrophobicContact CD1-CZ 4.41Å; I729-F837 HydrophobicContact CG1-CE1 4.39Å; I729-F837 HydrophobicContact CG2-CD2 4.33Å; I729-F837 HydrophobicContact CG2-CE1 3.93Å; I729-F837 HydrophobicContact CG2-CE2 3.69Å; I729-F837 HydrophobicContact CG2-CZ 3.46Å; I729-F837 VanDerWaalsContact CG2-CZ 3.46Å; L800-F837 HydrophobicContact CB-CE1 4.17Å; L800-F837 WeakPolarHBondContact O-CE1 3.26Å; R801-F837 WeakPolarHBondContact CD-O 3.24Å; R801-F837 HydrophobicContact CG-CD1 3.97Å; R801-F837 WeakPolarHBondContact CG-O 3.47Å; R801-F837 PolarHBondContact NE-O 2.95Å; I807-F837 HydrophobicContact CB-CZ 4.38Å; I807-F837 HydrophobicContact CD1-CE1 4.48Å; I807-F837 HydrophobicContact CD1-CZ 3.77Å; I807-F837 HydrophobicContact CG2-CE2 4.22Å; I807-F837 HydrophobicContact CG2-CZ 4.24Å; V833-F837 HydrophobicContact CG1-CD2 4.18Å; V833-F837 HydrophobicContact CG1-CE2 3.72Å; V833-F837 VanDerWaalsContact O-CD2 3.32Å; V833-F837 WeakPolarHBondContact O-CD2 3.28Å; V833-F837 PolarHBondContact O-N 2.92Å; Q834-F837 WeakPolarHBondContact O-CB 3.29Å; Q834-F837 PolarHBondContact O-N 2.88Å; F837-L839 VanDerWaalsContact C-N 3.34Å; F837-L839 HydrophobicContact CB-CD2 3.82Å; F837-L839 HydrophobicContact CB-CG 3.95Å; F837-L839 PolarHBondContact O-N 3.29Å
838R93.2Very high91.7Very high62 Ų6260.3 Ų60.323%0.23429%0.293CS..THydrogen-bonded Turntrans48.255.8-178.1-64-58.5-56.3-87.14.1112R801 D835 K836 D840 L841 Y849R801-R838 PolarHBondContact NH2-O 3.37Å; D835-R838 VanDerWaalsContact O-CD 3.23Å; D835-R838 WeakPolarHBondContact O-CD 3.42Å; D835-R838 PolarHBondContact O-N 3.34Å; K836-R838 VanDerWaalsContact C-N 3.25Å; K836-R838 PolarHBondContact O-N 3.29Å; R838-D840 WeakPolarHBondContact CA-OD1 3.3Å; R838-D840 IonicContact CZ-OD1 2.88Å; R838-D840 IonicContact CZ-OD2 3.36Å; R838-D840 IonicContact NE-OD1 3.78Å; R838-D840 PolarHBondContact NE-OD1 3.3Å; R838-D840 IonicContact NE-OD2 2.9Å; R838-D840 PolarHBondContact NE-OD2 2.95Å; R838-D840 IonicContact NH2-OD1 2.95Å; R838-D840 IonicContact NH2-OD2 2.85Å; R838-D840 PolarHBondContact NH2-OD2 2.95Å; R838-D840 PolarHBondContact O-N 3.5Å; R838-L841 HydrophobicContact CB-CD1 3.94Å; R838-L841 HydrophobicContact CB-CG 4.16Å; R838-L841 HydrophobicContact CG-CD1 4.38Å; R838-L841 PolarHBondContact O-N 3.07Å; R838-Y849 HydrophobicContact CG-CD1 4.01Å; R838-Y849 HydrophobicContact CG-CE1 3.77Å; R838-Y849 VanDerWaalsContact NH1-CD2 3.3Å
839L90.5Very high92.3Very high58 Ų5858.2 Ų58.230%0.30428%0.282SS..THydrogen-bonded Turntrans-69.3-8.9178.4-57.2-178.9000112.6P303 S804 L808 Q834 F837 L841P303-L839 HydrophobicContact CB-CD1 3.93Å; P303-L839 HydrophobicContact CG-CD1 4.48Å; S804-L839 WeakPolarHBondContact OG-CD2 3.18Å; L808-L839 HydrophobicContact CD1-CD1 4.32Å; Q834-L839 HydrophobicContact CG-CD1 4.15Å; F837-L839 VanDerWaalsContact C-N 3.34Å; F837-L839 HydrophobicContact CB-CD2 3.82Å; F837-L839 HydrophobicContact CB-CG 3.95Å; F837-L839 PolarHBondContact O-N 3.29Å; L839-L841 VanDerWaalsContact C-N 3.31Å
840D89.4Confident92.8Very high111 Ų11158 Ų5859%0.59428%0.282SS*.THydrogen-bonded Turntrans-73.9-18.9171.758.3-57.8000113.7R838R838-D840 WeakPolarHBondContact CA-OD1 3.3Å; R838-D840 IonicContact CZ-OD1 2.88Å; R838-D840 IonicContact CZ-OD2 3.36Å; R838-D840 IonicContact NE-OD1 3.78Å; R838-D840 PolarHBondContact NE-OD1 3.3Å; R838-D840 IonicContact NE-OD2 2.9Å; R838-D840 PolarHBondContact NE-OD2 2.95Å; R838-D840 IonicContact NH2-OD1 2.95Å; R838-D840 IonicContact NH2-OD2 2.85Å; R838-D840 PolarHBondContact NH2-OD2 2.95Å; R838-D840 PolarHBondContact O-N 3.5Å
841L93Very high93Very high36 Ų3660.5 Ų60.519%0.18829%0.292CS..SBendtrans-100151.7-174.9-61.2-175.1000112.8R801 R838 L839 E845 A846 Y849R801-L841 PolarHBondContact NH2-O 3.4Å; R838-L841 HydrophobicContact CB-CD1 3.94Å; R838-L841 HydrophobicContact CB-CG 4.16Å; R838-L841 HydrophobicContact CG-CD1 4.38Å; R838-L841 PolarHBondContact O-N 3.07Å; L839-L841 VanDerWaalsContact C-N 3.31Å; L841-E845 HydrophobicContact CB-CB 3.92Å; L841-E845 HydrophobicContact CD1-CB 4.45Å; L841-E845 HydrophobicContact CD2-CB 4.24Å; L841-E845 HydrophobicContact CG-CB 4.43Å; L841-A846 HydrophobicContact CB-CB 4.38Å; L841-Y849 HydrophobicContact CD1-CG 4.22Å
842S92.9Very high93.2Very high44 Ų4457.5 Ų57.531%0.30829%0.287SS..  trans-65.8169.216592.30000111.6E844 E845 A846S842-E844 VanDerWaalsContact C-N 3.31Å; S842-E844 WeakPolarHBondContact CB-OE2 3.42Å; S842-E844 PolarHBondContact O-N 2.72Å; S842-E844 PolarHBondContact OG-N 3.2Å; S842-E844 PolarHBondContact OG-OE2 3.37Å; S842-E845 PolarHBondContact N-OE2 3.4Å; S842-E845 PolarHBondContact O-N 3.49Å; S842-E845 PolarHBondContact OG-N 2.94Å; S842-A846 WeakPolarHBondContact O-CB 3.33Å; S842-A846 PolarHBondContact O-N 3.14Å
843D93.4Very high93.4Very high63 Ų6355.1 Ų55.134%0.33728%0.277SS..Hα-helixtrans-62.4-39.2175.6-80.84.6000111.5L798 R801 R802 A846 V847L798-D843 HydrophobicContact CD2-CB 4.07Å; R801-D843 IonicContact CZ-OD1 3.93Å; R801-D843 IonicContact NH1-OD1 4Å; R801-D843 PolarHBondContact NH1-OD1 3.12Å; R802-D843 IonicContact NH2-OD2 3.93Å; D843-A846 PolarHBondContact O-N 2.88Å; D843-V847 WeakPolarHBondContact O-CG2 3.41Å; D843-V847 PolarHBondContact O-N 3.01Å; D843-V847 VanDerWaalsContact O-N 3.14Å
844E94.6Very high93.3Very high132 Ų13255 Ų5562%0.61728%0.276SS*.Hα-helixtrans-66.7-46.1176.7-57.777.6-167.100111.9S842 A846 V847 H848S842-E844 VanDerWaalsContact C-N 3.31Å; S842-E844 WeakPolarHBondContact CB-OE2 3.42Å; S842-E844 PolarHBondContact O-N 2.72Å; S842-E844 PolarHBondContact OG-N 3.2Å; S842-E844 PolarHBondContact OG-OE2 3.37Å; E844-A846 VanDerWaalsContact C-N 3.3Å; E844-A846 PolarHBondContact O-N 3.33Å; E844-V847 PolarHBondContact O-N 3.11Å; E844-H848 PolarHBondContact O-CD2 3.13Å; E844-H848 PolarHBondContact O-N 2.72Å; E844-H848 VanDerWaalsContact O-N 3.12Å
845E95.8Very high93.1Very high104 Ų10456.4 Ų56.449%0.48629%0.285SS..Hα-helixtrans-63.7-37.7177.6-68.6174.8151.500111.6L841 S842 H848 Y849L841-E845 HydrophobicContact CB-CB 3.92Å; L841-E845 HydrophobicContact CD1-CB 4.45Å; L841-E845 HydrophobicContact CD2-CB 4.24Å; L841-E845 HydrophobicContact CG-CB 4.43Å; S842-E845 PolarHBondContact N-OE2 3.4Å; S842-E845 PolarHBondContact O-N 3.49Å; S842-E845 PolarHBondContact OG-N 2.94Å; E845-H848 PolarHBondContact O-N 2.8Å; E845-Y849 WeakPolarHBondContact O-CB 3.41Å; E845-Y849 PolarHBondContact O-N 3.45Å
846A95.1Very high92.9Very high0 Ų058.1 Ų58.10%029%0.29CS..Hα-helixtrans-65.7-36.5176.800000112.6F797 L798 L841 S842 D843 E844 Y849 M850F797-A846 HydrophobicContact CE1-CB 4.09Å; L798-A846 HydrophobicContact CD2-CB 4.32Å; L841-A846 HydrophobicContact CB-CB 4.38Å; S842-A846 WeakPolarHBondContact O-CB 3.33Å; S842-A846 PolarHBondContact O-N 3.14Å; D843-A846 PolarHBondContact O-N 2.88Å; E844-A846 VanDerWaalsContact C-N 3.3Å; E844-A846 PolarHBondContact O-N 3.33Å; A846-Y849 PolarHBondContact O-N 3.24Å; A846-M850 PolarHBondContact O-N 3.18Å
847V95.3Very high92.4Very high39 Ų3955 Ų5524%0.23628%0.276CS..Hα-helixtrans-65.2-47.2173.1171.70000110.6Y794 L798 D843 E844 Y849 M850 Q851Y794-V847 HydrophobicContact CD2-CG1 4.25Å; Y794-V847 HydrophobicContact CG-CG1 4.22Å; L798-V847 HydrophobicContact CD1-CG2 3.67Å; L798-V847 HydrophobicContact CD2-CG2 4.19Å; L798-V847 HydrophobicContact CG-CG2 4.07Å; D843-V847 WeakPolarHBondContact O-CG2 3.41Å; D843-V847 PolarHBondContact O-N 3.01Å; D843-V847 VanDerWaalsContact O-N 3.14Å; E844-V847 PolarHBondContact O-N 3.11Å; V847-Y849 VanDerWaalsContact C-N 3.3Å; V847-Y849 PolarHBondContact O-N 2.87Å; V847-M850 PolarHBondContact O-N 3.16Å; V847-Q851 WeakPolarHBondContact O-CB 3.41Å; V847-Q851 PolarHBondContact O-N 3.06Å
848H95.1Very high91.8Very high124 Ų12455.1 Ų55.157%0.57428%0.277SS*.Hα-helixtrans-59.6-42.2176-83.1-63.7000112.1E844 E845 Q851 S852E844-H848 PolarHBondContact O-CD2 3.13Å; E844-H848 PolarHBondContact O-N 2.72Å; E844-H848 VanDerWaalsContact O-N 3.12Å; E845-H848 PolarHBondContact O-N 2.8Å; H848-Q851 WeakPolarHBondContact O-CB 3.31Å; H848-Q851 PolarHBondContact O-N 2.89Å; H848-S852 PolarHBondContact O-N 2.83Å; H848-S852 PolarHBondContact O-OG 2.8Å
849Y94.9Very high90.8Very high65 Ų6554 Ų5426%0.25529%0.285SS..Hα-helixtrans-59.5-47.8174.7172.8-100.6000112.2Y728 R838 L841 E845 A846 V847 Q851 S852 L853Y728-Y849 WeakPolarHBondContact OH-CE1 3.49Å; Y728-Y849 PolarHBondContact OH-OH 3.25Å; R838-Y849 HydrophobicContact CG-CD1 4.01Å; R838-Y849 HydrophobicContact CG-CE1 3.77Å; R838-Y849 VanDerWaalsContact NH1-CD2 3.3Å; L841-Y849 HydrophobicContact CD1-CG 4.22Å; E845-Y849 WeakPolarHBondContact O-CB 3.41Å; E845-Y849 PolarHBondContact O-N 3.45Å; A846-Y849 PolarHBondContact O-N 3.24Å; V847-Y849 VanDerWaalsContact C-N 3.3Å; V847-Y849 PolarHBondContact O-N 2.87Å; Y849-Q851 VanDerWaalsContact C-N 3.29Å; Y849-Q851 PolarHBondContact O-N 3.18Å; Y849-S852 PolarHBondContact O-N 2.93Å; Y849-L853 WeakPolarHBondContact O-CB 3.41Å; Y849-L853 PolarHBondContact O-N 3.4Å
850M94.4Very high89.9Confident0 Ų053.6 Ų53.60%029%0.29CS..Hα-helixtrans-64.5-35.8178.1-172.456.665.300111.8Y728 M768 Y794 F797 A846 V847 L853 I854Y728-M850 HydrophobicContact CD1-CE 4.06Å; Y728-M850 HydrophobicContact CE1-CE 4.04Å; M768-M850 HydrophobicContact SD-SD 4.27Å; Y794-M850 HydrophobicContact CD1-CB 3.93Å; Y794-M850 HydrophobicContact CD1-CG 3.63Å; Y794-M850 HydrophobicContact CE1-CB 4.27Å; Y794-M850 HydrophobicContact CE1-CG 3.98Å; F797-M850 HydrophobicContact CB-CE 3.97Å; F797-M850 HydrophobicContact CD1-CB 4.24Å; F797-M850 HydrophobicContact CD1-CE 3.62Å; F797-M850 HydrophobicContact CD2-CE 3.45Å; F797-M850 VanDerWaalsContact CD2-CE 3.45Å; F797-M850 HydrophobicContact CE1-CE 3.83Å; F797-M850 HydrophobicContact CE2-CE 3.71Å; F797-M850 HydrophobicContact CG-CE 3.41Å; F797-M850 VanDerWaalsContact CG-CE 3.41Å; F797-M850 HydrophobicContact CZ-CE 3.89Å; A846-M850 PolarHBondContact O-N 3.18Å; V847-M850 PolarHBondContact O-N 3.16Å; M850-L853 HydrophobicContact CE-CD2 4.2Å; M850-L853 WeakPolarHBondContact O-CB 3.15Å; M850-L853 PolarHBondContact O-N 3.07Å; M850-L853 HydrophobicContact SD-CD2 3.7Å; M850-I854 HydrophobicContact CG-CD1 4.47Å; M850-I854 WeakPolarHBondContact O-CG1 3.34Å; M850-I854 PolarHBondContact O-N 3.24Å
851Q93.1Very high88.8Confident65 Ų6550 Ų5030%0.30427%0.271SS..Hα-helixtrans-62-51.5174177.3170-800111.5R790 Y794 V847 H848 Y849 L853 I854 D855R790-Q851 VanDerWaalsContact NH2-CG 3.34Å; Y794-Q851 HydrophobicContact CE1-CB 4.14Å; V847-Q851 WeakPolarHBondContact O-CB 3.41Å; V847-Q851 PolarHBondContact O-N 3.06Å; H848-Q851 WeakPolarHBondContact O-CB 3.31Å; H848-Q851 PolarHBondContact O-N 2.89Å; Y849-Q851 VanDerWaalsContact C-N 3.29Å; Y849-Q851 PolarHBondContact O-N 3.18Å; Q851-L853 VanDerWaalsContact C-N 3.27Å; Q851-L853 PolarHBondContact O-N 3.26Å; Q851-I854 PolarHBondContact O-N 2.85Å; Q851-D855 VanDerWaalsContact O-CG 3.25Å; Q851-D855 PolarHBondContact O-N 2.78Å
852S92.4Very high87.3Confident61 Ų6152.1 Ų52.143%0.42728%0.278SS..Hα-helixtrans-58.5-40.6176.1-650000111.7H848 Y849 I854 D855 E856H848-S852 PolarHBondContact O-N 2.83Å; H848-S852 PolarHBondContact O-OG 2.8Å; Y849-S852 PolarHBondContact O-N 2.93Å; S852-I854 PolarHBondContact O-N 3.43Å; S852-D855 PolarHBondContact O-N 3.06Å; S852-E856 WeakPolarHBondContact O-CB 3.14Å; S852-E856 VanDerWaalsContact O-CG 3.3Å; S852-E856 WeakPolarHBondContact O-CG 3.35Å; S852-E856 PolarHBondContact O-N 3.36Å
853L92.7Very high85.7Confident6 Ų652.9 Ų52.93%0.03129%0.287CS..Hα-helixtrans-60.3-44.5178-172.679.5000112.6Y728 P767 M768 Y849 M850 Q851 S857Y728-L853 HydrophobicContact CD1-CD2 4.41Å; Y728-L853 HydrophobicContact CD2-CD2 3.59Å; Y728-L853 HydrophobicContact CE1-CD2 4.31Å; Y728-L853 HydrophobicContact CE2-CD1 4.01Å; Y728-L853 HydrophobicContact CE2-CD2 3.44Å; Y728-L853 VanDerWaalsContact CE2-CD2 3.44Å; Y728-L853 HydrophobicContact CE2-CG 4.38Å; Y728-L853 HydrophobicContact CG-CD2 4.09Å; P767-L853 HydrophobicContact CB-CD1 3.64Å; P767-L853 HydrophobicContact CG-CD1 3.91Å; M768-L853 HydrophobicContact CB-CD2 4.09Å; M768-L853 HydrophobicContact CB-CG 4.17Å; M768-L853 HydrophobicContact SD-CD2 4.16Å; Y849-L853 WeakPolarHBondContact O-CB 3.41Å; Y849-L853 PolarHBondContact O-N 3.4Å; M850-L853 HydrophobicContact CE-CD2 4.2Å; M850-L853 WeakPolarHBondContact O-CB 3.15Å; M850-L853 PolarHBondContact O-N 3.07Å; M850-L853 HydrophobicContact SD-CD2 3.7Å; Q851-L853 VanDerWaalsContact C-N 3.27Å; Q851-L853 PolarHBondContact O-N 3.26Å; L853-S857 VanDerWaalsContact O-CB 3.31Å; L853-S857 WeakPolarHBondContact O-CB 3.35Å; L853-S857 PolarHBondContact O-N 2.89Å; L853-S857 PolarHBondContact O-OG 3.38Å
854I91.5Very high84.1Confident0 Ų052.5 Ų52.50%029%0.293CS..Hα-helixtrans-65.1-47.6176.6-68.2173.6000109.7M768 L770 Y786 F789 R790 C793 Y794 M850 Q851 S852 E856 S857 V858M768-I854 HydrophobicContact CE-CD1 4.41Å; M768-I854 HydrophobicContact CE-CG1 4.12Å; M768-I854 HydrophobicContact SD-CD1 4.45Å; M768-I854 HydrophobicContact SD-CG1 3.56Å; M768-I854 VanDerWaalsContact SD-CG1 3.56Å; L770-I854 HydrophobicContact CD2-CG2 4.41Å; Y786-I854 WeakPolarHBondContact OH-CG2 2.99Å; F789-I854 HydrophobicContact CE1-CD1 4.45Å; F789-I854 HydrophobicContact CE1-CG2 4.45Å; R790-I854 HydrophobicContact CG-CD1 4.44Å; R790-I854 HydrophobicContact CG-CG2 4.48Å; C793-I854 HydrophobicContact CB-CD1 3.9Å; Y794-I854 HydrophobicContact CD1-CD1 4.48Å; Y794-I854 HydrophobicContact CE1-CD1 3.67Å; M850-I854 HydrophobicContact CG-CD1 4.47Å; M850-I854 WeakPolarHBondContact O-CG1 3.34Å; M850-I854 PolarHBondContact O-N 3.24Å; Q851-I854 PolarHBondContact O-N 2.85Å; S852-I854 PolarHBondContact O-N 3.43Å; I854-E856 PolarHBondContact O-N 2.97Å; I854-S857 PolarHBondContact O-N 2.85Å; I854-V858 WeakPolarHBondContact O-CG2 3.47Å; I854-V858 PolarHBondContact O-N 2.79Å
855D88.6Confident82.4Confident62 Ų6248.8 Ų48.833%0.33228%0.279SS..Hα-helixtrans-64.7-41.2-176.3-65.3-14.8000111.4R790 Q851 S852 V858 G859R790-D855 IonicContact CZ-OD1 3.91Å; R790-D855 IonicContact NE-OD1 2.71Å; R790-D855 IonicContact NH2-OD1 2.96Å; R790-D855 PolarHBondContact NH2-OD1 2.87Å; R790-D855 IonicContact NH2-OD2 3.88Å; R790-D855 PolarHBondContact NH2-OD2 2.87Å; R790-D855 VanDerWaalsContact NH2-OD2 3.08Å; Q851-D855 VanDerWaalsContact O-CG 3.25Å; Q851-D855 PolarHBondContact O-N 2.78Å; S852-D855 PolarHBondContact O-N 3.06Å; D855-V858 PolarHBondContact O-N 3.26Å; D855-G859 PolarHBondContact O-N 2.88Å
856E86.1Confident80.4Confident124 Ų12448.5 Ų48.558%0.57928%0.284SS*.Hα-helixtrans-63.5-43.9172.8-76.6176.7-169.500112.2S852 I854 V858 G859 A860S852-E856 WeakPolarHBondContact O-CB 3.14Å; S852-E856 VanDerWaalsContact O-CG 3.3Å; S852-E856 WeakPolarHBondContact O-CG 3.35Å; S852-E856 PolarHBondContact O-N 3.36Å; I854-E856 PolarHBondContact O-N 2.97Å; E856-V858 VanDerWaalsContact C-N 3.3Å; E856-V858 PolarHBondContact O-N 3.01Å; E856-G859 PolarHBondContact O-N 3.42Å; E856-A860 VanDerWaalsContact O-CB 3.31Å; E856-A860 WeakPolarHBondContact O-CB 3.35Å; E856-A860 PolarHBondContact O-N 3.32Å
857S84.6Confident78.5Confident0 Ų053.6 Ų53.60%031%0.308CS..Hα-helixtrans-62-41.3178.9-61.10000110.8P767 M768 L853 I854 L861P767-S857 WeakPolarHBondContact CG-OG 3.31Å; M768-S857 WeakPolarHBondContact CB-OG 3.3Å; M768-S857 PolarHBondContact N-OG 3.3Å; M768-S857 VanDerWaalsContact N-OG 3.16Å; L853-S857 VanDerWaalsContact O-CB 3.31Å; L853-S857 WeakPolarHBondContact O-CB 3.35Å; L853-S857 PolarHBondContact O-N 2.89Å; L853-S857 PolarHBondContact O-OG 3.38Å; I854-S857 PolarHBondContact O-N 2.85Å; S857-L861 WeakPolarHBondContact O-CD1 3.34Å; S857-L861 VanDerWaalsContact O-CG 3.23Å; S857-L861 WeakPolarHBondContact O-CG 3.38Å; S857-L861 PolarHBondContact O-N 3.01Å
858V80.8Confident76.7Confident1 Ų158.9 Ų58.91%0.00633%0.33CS..Hα-helixtrans-70.8-42.8176.4177.90000111.7L770 V775 M781 I854 D855 E856 A860 L861 F862L770-V858 HydrophobicContact CD2-CG2 3.6Å; V775-V858 HydrophobicContact CG2-CG2 4.36Å; M781-V858 HydrophobicContact CE-CG1 3.72Å; M781-V858 HydrophobicContact CG-CG1 4.12Å; M781-V858 HydrophobicContact SD-CG1 3.57Å; M781-V858 VanDerWaalsContact SD-CG1 3.57Å; I854-V858 WeakPolarHBondContact O-CG2 3.47Å; I854-V858 PolarHBondContact O-N 2.79Å; D855-V858 PolarHBondContact O-N 3.26Å; E856-V858 VanDerWaalsContact C-N 3.3Å; E856-V858 PolarHBondContact O-N 3.01Å; V858-A860 PolarHBondContact O-N 3.39Å; V858-L861 WeakPolarHBondContact O-CB 3.43Å; V858-L861 PolarHBondContact O-N 3.04Å; V858-F862 HydrophobicContact CG1-CD2 3.91Å; V858-F862 HydrophobicContact CG1-CE2 3.55Å; V858-F862 WeakPolarHBondContact O-CD2 3.41Å; V858-F862 PolarHBondContact O-N 2.86Å
859G73.4Confident74.8Confident40 Ų4058.1 Ų58.141%0.41233%0.329SS..Hα-helixtrans-59.4-43.2176.400000113D855 E856 L861 F862 A863D855-G859 PolarHBondContact O-N 2.88Å; E856-G859 PolarHBondContact O-N 3.42Å; G859-L861 VanDerWaalsContact C-N 3.33Å; G859-L861 PolarHBondContact O-N 3.14Å; G859-F862 PolarHBondContact O-N 3.27Å; G859-A863 PolarHBondContact O-N 3.12Å
860A70.8Confident72.8Confident48 Ų4860.3 Ų60.340%0.39734%0.341SS..Hα-helixtrans-62.4-36.9177.100000112.7E856 V858 F862 A863 A864E856-A860 VanDerWaalsContact O-CB 3.31Å; E856-A860 WeakPolarHBondContact O-CB 3.35Å; E856-A860 PolarHBondContact O-N 3.32Å; V858-A860 PolarHBondContact O-N 3.39Å; A860-F862 PolarHBondContact O-N 3.36Å; A860-A863 PolarHBondContact O-N 3.01Å; A860-A864 WeakPolarHBondContact O-CB 3.29Å; A860-A864 PolarHBondContact O-N 3.33Å
861L65.8Low70.9Confident37 Ų3766.1 Ų66.119%0.19437%0.366CS..Hα-helixtrans-60.6-45.5175.6-67160.7000111.3L770 S857 V858 G859 A864 V865L770-L861 WeakPolarHBondContact O-CD1 3.44Å; S857-L861 WeakPolarHBondContact O-CD1 3.34Å; S857-L861 VanDerWaalsContact O-CG 3.23Å; S857-L861 WeakPolarHBondContact O-CG 3.38Å; S857-L861 PolarHBondContact O-N 3.01Å; V858-L861 WeakPolarHBondContact O-CB 3.43Å; V858-L861 PolarHBondContact O-N 3.04Å; G859-L861 VanDerWaalsContact C-N 3.33Å; G859-L861 PolarHBondContact O-N 3.14Å; L861-A864 PolarHBondContact O-N 2.79Å; L861-V865 WeakPolarHBondContact O-CG2 3.36Å; L861-V865 PolarHBondContact O-N 3.12Å; L861-V865 VanDerWaalsContact O-N 3.16Å
862F62.8Low69.2Low80 Ų8069.3 Ų69.335%0.35138%0.38SS..Hα-helixtrans-72-37-179.2-72.4-70.8000112.3K772 M781 V858 G859 A860 A864 V865 V866K772-F862 HydrophobicContact CD-CE1 4.32Å; K772-F862 HydrophobicContact CG-CE1 4.45Å; M781-F862 HydrophobicContact SD-CE2 3.89Å; V858-F862 HydrophobicContact CG1-CD2 3.91Å; V858-F862 HydrophobicContact CG1-CE2 3.55Å; V858-F862 WeakPolarHBondContact O-CD2 3.41Å; V858-F862 PolarHBondContact O-N 2.86Å; G859-F862 PolarHBondContact O-N 3.27Å; A860-F862 PolarHBondContact O-N 3.36Å; F862-A864 PolarHBondContact O-N 2.86Å; F862-V865 PolarHBondContact O-N 3.42Å; F862-V866 WeakPolarHBondContact O-CG2 3.29Å; F862-V866 PolarHBondContact O-N 3.24Å
863A58.9Low67.1Low59 Ų5968.4 Ų68.449%0.48838%0.376SS..Hα-helixtrans-60.9-43.2173.200000111.9G859 A860 V865 V866 E867G859-A863 PolarHBondContact O-N 3.12Å; A860-A863 PolarHBondContact O-N 3.01Å; A863-V865 VanDerWaalsContact C-N 3.35Å; A863-V865 PolarHBondContact O-N 3.39Å; A863-V866 PolarHBondContact O-N 3.48Å; A863-E867 WeakPolarHBondContact O-CB 3.39Å; A863-E867 PolarHBondContact O-N 3.08Å
864A60.4Low65.2Low55 Ų5573.2 Ų73.246%0.45540%0.398SS..Hα-helixtrans-64.1-37177.300000112.8A860 L861 F862 E867 Q868A860-A864 WeakPolarHBondContact O-CB 3.29Å; A860-A864 PolarHBondContact O-N 3.33Å; L861-A864 PolarHBondContact O-N 2.79Å; F862-A864 PolarHBondContact O-N 2.86Å; A864-E867 PolarHBondContact O-N 3.34Å; A864-Q868 WeakPolarHBondContact O-CG 3.23Å; A864-Q868 PolarHBondContact O-N 3.27Å
865V57.3Low63.6Low55 Ų5581.7 Ų81.733%0.33343%0.432SS..Hα-helixtrans-67.6-43.8174.4171.30000111.1L861 F862 A863 E867 Q868 I869L861-V865 WeakPolarHBondContact O-CG2 3.36Å; L861-V865 PolarHBondContact O-N 3.12Å; L861-V865 VanDerWaalsContact O-N 3.16Å; F862-V865 PolarHBondContact O-N 3.42Å; A863-V865 VanDerWaalsContact C-N 3.35Å; A863-V865 PolarHBondContact O-N 3.39Å; V865-E867 VanDerWaalsContact C-N 3.3Å; V865-E867 PolarHBondContact O-N 3.33Å; V865-Q868 PolarHBondContact O-N 3.48Å; V865-I869 HydrophobicContact CG1-CD1 3.77Å; V865-I869 HydrophobicContact CG1-CG1 4.42Å; V865-I869 WeakPolarHBondContact O-CB 3.48Å; V865-I869 VanDerWaalsContact O-CG1 3.25Å; V865-I869 WeakPolarHBondContact O-CG1 3.5Å; V865-I869 PolarHBondContact O-N 3.2Å
866V54.8Low61.8Low97 Ų9787.9 Ų87.959%0.58845%0.45SS*.Hα-helixtrans-61.8-40.2175.7171.70000110.7F862 A863 I869 H870F862-V866 WeakPolarHBondContact O-CG2 3.29Å; F862-V866 PolarHBondContact O-N 3.24Å; A863-V866 PolarHBondContact O-N 3.48Å; V866-I869 PolarHBondContact O-N 2.77Å; V866-H870 VanDerWaalsContact O-CB 3.29Å; V866-H870 WeakPolarHBondContact O-CB 3.3Å; V866-H870 PolarHBondContact O-N 3.3Å
867E55.3Low59.9Low107 Ų10792.7 Ų92.750%0.546%0.463SS..Hα-helixtrans-68.7-37.8177.3-160.4-174.8149.900112.6A863 A864 V865 H870 K871A863-E867 WeakPolarHBondContact O-CB 3.39Å; A863-E867 PolarHBondContact O-N 3.08Å; A864-E867 PolarHBondContact O-N 3.34Å; V865-E867 VanDerWaalsContact C-N 3.3Å; V865-E867 PolarHBondContact O-N 3.33Å; E867-H870 PolarHBondContact O-N 2.88Å; E867-K871 WeakPolarHBondContact O-CB 3.09Å; E867-K871 WeakPolarHBondContact O-CG 3.31Å; E867-K871 PolarHBondContact O-N 3.36Å; E867-K871 WeakPolarHBondContact OE1-CE 3.34Å; E867-K871 IonicContact OE1-NZ 2.72Å; E867-K871 PolarHBondContact OE1-NZ 3Å
868Q56.4Low57.7Low150 Ų150105.9 Ų105.970%0.70151%0.513SS*.Hα-helixtrans-66.8-41.8172.3-78.4-144.8-13.300112.6A864 V865 H870 K871 F872A864-Q868 WeakPolarHBondContact O-CG 3.23Å; A864-Q868 PolarHBondContact O-N 3.27Å; V865-Q868 PolarHBondContact O-N 3.48Å; Q868-H870 VanDerWaalsContact C-N 3.27Å; Q868-H870 PolarHBondContact O-N 3.41Å; Q868-K871 PolarHBondContact O-N 2.87Å; Q868-F872 VanDerWaalsContact O-CB 3.3Å; Q868-F872 WeakPolarHBondContact O-CB 3.26Å; Q868-F872 PolarHBondContact O-N 2.88Å
869I56Low56.5Low109 Ų109111.1 Ų111.156%0.55954%0.538SS*.Hα-helixtrans-62.5-39.2173.5-68.8168.2000110V865 V866 F872 A873V865-I869 HydrophobicContact CG1-CD1 3.77Å; V865-I869 HydrophobicContact CG1-CG1 4.42Å; V865-I869 WeakPolarHBondContact O-CB 3.48Å; V865-I869 VanDerWaalsContact O-CG1 3.25Å; V865-I869 WeakPolarHBondContact O-CG1 3.5Å; V865-I869 PolarHBondContact O-N 3.2Å; V866-I869 PolarHBondContact O-N 2.77Å; I869-F872 PolarHBondContact O-N 2.86Å; I869-A873 WeakPolarHBondContact O-CB 3.1Å; I869-A873 PolarHBondContact O-N 2.93Å
870H53.4Low55.7Low110 Ų110114.8 Ų114.851%0.50955%0.545SS..Hα-helixtrans-67.4-41.8177.1-157.674.7000112V866 E867 Q868 A873 Q874V866-H870 VanDerWaalsContact O-CB 3.29Å; V866-H870 WeakPolarHBondContact O-CB 3.3Å; V866-H870 PolarHBondContact O-N 3.3Å; E867-H870 PolarHBondContact O-N 2.88Å; Q868-H870 VanDerWaalsContact C-N 3.27Å; Q868-H870 PolarHBondContact O-N 3.41Å; H870-A873 PolarHBondContact O-N 3.17Å; H870-Q874 PolarHBondContact CD2-NE2 2.96Å; H870-Q874 PolarHBondContact NE2-NE2 3.29Å; H870-Q874 WeakPolarHBondContact O-CB 3.43Å; H870-Q874 VanDerWaalsContact O-CG 3.26Å; H870-Q874 WeakPolarHBondContact O-CG 3.31Å; H870-Q874 PolarHBondContact O-N 3.49Å
871K53.4Low54.8Low122 Ų122118.6 Ų118.653%0.5355%0.553SS.*Hα-helixtrans-63.9-40.5172.8-77.9174.3-175.31570112.1E867 Q868 Q874 Y875E867-K871 WeakPolarHBondContact O-CB 3.09Å; E867-K871 WeakPolarHBondContact O-CG 3.31Å; E867-K871 PolarHBondContact O-N 3.36Å; E867-K871 WeakPolarHBondContact OE1-CE 3.34Å; E867-K871 IonicContact OE1-NZ 2.72Å; E867-K871 PolarHBondContact OE1-NZ 3Å; Q868-K871 PolarHBondContact O-N 2.87Å; K871-Q874 PolarHBondContact O-N 3.17Å; K871-Y875 WeakPolarHBondContact O-CB 3.06Å; K871-Y875 PolarHBondContact O-N 3.31Å
872F56.8Low54.2Low133 Ų133123.4 Ų123.458%0.58357%0.574SS**Hα-helixtrans-67.4-42.8175.9-164.7-99.6000111.4Q868 I869 Q874 Y875 W876Q868-F872 VanDerWaalsContact O-CB 3.3Å; Q868-F872 WeakPolarHBondContact O-CB 3.26Å; Q868-F872 PolarHBondContact O-N 2.88Å; I869-F872 PolarHBondContact O-N 2.86Å; F872-Q874 VanDerWaalsContact C-N 3.33Å; F872-Q874 PolarHBondContact O-N 3.5Å; F872-Y875 WeakPolarHBondContact O-CB 3.14Å; F872-Y875 PolarHBondContact O-N 3.3Å; F872-W876 AromaticContact CD1-CD1 3.69Å; F872-W876 AromaticContact CD1-NE1 3.85Å; F872-W876 AromaticContact CE1-CD1 3.47Å; F872-W876 VanDerWaalsContact CE1-CD1 3.47Å; F872-W876 AromaticContact CE1-NE1 3.12Å; F872-W876 AromaticContact CE2-NE1 3.9Å; F872-W876 AromaticContact CZ-CD1 3.84Å; F872-W876 AromaticContact CZ-NE1 3.16Å; F872-W876 VanDerWaalsContact O-CD1 3.31Å; F872-W876 PolarHBondContact O-N 2.92Å
873A49.9Very low53.6Low42 Ų42126.1 Ų126.135%0.34759%0.588SS.*Hα-helixtrans-65.4-33.5174.500000112.7I869 H870 R877I869-A873 WeakPolarHBondContact O-CB 3.1Å; I869-A873 PolarHBondContact O-N 2.93Å; H870-A873 PolarHBondContact O-N 3.17Å; A873-R877 WeakPolarHBondContact O-CB 3.25Å; A873-R877 WeakPolarHBondContact O-CG 3.38Å; A873-R877 PolarHBondContact O-N 3.42Å
874Q51.3Low53.3Low107 Ų107130.5 Ų130.550%0.560%0.595SS.*Hα-helixtrans-71.3-34171.7-76.6-179.82.300112.5H870 K871 F872 R877 R878H870-Q874 PolarHBondContact CD2-NE2 2.96Å; H870-Q874 PolarHBondContact NE2-NE2 3.29Å; H870-Q874 WeakPolarHBondContact O-CB 3.43Å; H870-Q874 VanDerWaalsContact O-CG 3.26Å; H870-Q874 WeakPolarHBondContact O-CG 3.31Å; H870-Q874 PolarHBondContact O-N 3.49Å; K871-Q874 PolarHBondContact O-N 3.17Å; F872-Q874 VanDerWaalsContact C-N 3.33Å; F872-Q874 PolarHBondContact O-N 3.5Å; Q874-R877 PolarHBondContact O-N 2.68Å; Q874-R878 PolarHBondContact O-N 3.3Å
875Y58.3Low52.8Low178 Ų178135.9 Ų135.970%0.69861%0.605SS**Hα-helixtrans-67.5-37.9174.5-175.2-97.7000112.1K871 F872 R877 R878K871-Y875 WeakPolarHBondContact O-CB 3.06Å; K871-Y875 PolarHBondContact O-N 3.31Å; F872-Y875 WeakPolarHBondContact O-CB 3.14Å; F872-Y875 PolarHBondContact O-N 3.3Å; Y875-R877 VanDerWaalsContact C-N 3.33Å; Y875-R878 PolarHBondContact O-N 3.38Å
876W50.6Low52.4Low192 Ų192142.2 Ų142.273%0.72763%0.626SS**THydrogen-bonded Turntrans-78-12.4174.6-83.481.8000114.6F872F872-W876 AromaticContact CD1-CD1 3.69Å; F872-W876 AromaticContact CD1-NE1 3.85Å; F872-W876 AromaticContact CE1-CD1 3.47Å; F872-W876 VanDerWaalsContact CE1-CD1 3.47Å; F872-W876 AromaticContact CE1-NE1 3.12Å; F872-W876 AromaticContact CE2-NE1 3.9Å; F872-W876 AromaticContact CZ-CD1 3.84Å; F872-W876 AromaticContact CZ-NE1 3.16Å; F872-W876 VanDerWaalsContact O-CD1 3.31Å; F872-W876 PolarHBondContact O-N 2.92Å
877R46.2Very low52.2Low224 Ų224145.9 Ų145.985%0.84563%0.629SS**THydrogen-bonded Turntrans-91.4-1.1172.9-82.3-178-176.2178.32.3113.2A873 Q874 Y875A873-R877 WeakPolarHBondContact O-CB 3.25Å; A873-R877 WeakPolarHBondContact O-CG 3.38Å; A873-R877 PolarHBondContact O-N 3.42Å; Q874-R877 PolarHBondContact O-N 2.68Å; Y875-R877 VanDerWaalsContact C-N 3.33Å
878R38.9Very low51.9Low277 Ų277149.5 Ų149.5100%1.04564%0.641SS**  trans-105.30164.4-72.4-174.8176.3-178.1-0.3108.7Q874 Y875Q874-R878 PolarHBondContact O-N 3.3Å; Y875-R878 PolarHBondContact O-N 3.38Å

Retrieved 878 of 878 residues in 1538.4 ms (Link to these results)

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