A0A2K5M4M3_CERAT Loading...

Glycerol kinase 5

Skin-specific kinase that plays a key role in glycerol metabolism, catalyzing its phosphorylation to produce sn-glycerol 3-phosphate. Involved in skin-specific regulation of sterol regulatory element-binding protein (SREBP) processing and lipid biosynthesis.

AlphaFold DB , UniProt , Accession A0A2K5M4M3, Species CERAT (Cercocebus atys, Sooty mangabey), Gene GK5, Length 529 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
1M37.1Very low36.6Very low245 Ų245155.5 Ų155.5100%1.20785%0.853SS**  0120.90-58.5-179.2-170.700106.4
2S38.3Very low36.7Very low108 Ų108150.1 Ų150.176%0.75584%0.844SS**  cis-159.7118.7-4.736.70000103.1
3G36Very low36.4Very low81 Ų81151.8 Ų151.884%0.83584%0.841SS**PPolyproline II helixtrans-70.4127.9170.900000109.1
4L38.7Very low36.1Very low162 Ų162153.4 Ų153.485%0.84884%0.839SS**PPolyproline II helixtrans-97.9130.1162.1-79.7160.9000107.2
5P38.4Very low36.2Very low121 Ų121151.1 Ų151.179%0.78684%0.835SS**PPolyproline II helixtrans-78.1125.3171.525.9-20.1000109.2D7P5-D7 PolarHBondContact O-N 3.46Å
6T37.5Very low36.8Very low140 Ų140156.1 Ų156.186%0.85984%0.837SS**PPolyproline II helixtrans-74.1119.216745.90000109.2
7D33.6Very low37.6Very low132 Ų132157.8 Ų157.871%0.70684%0.838SS**PPolyproline II helixtrans-50.9130.6174.7-145-16.6000112.5P5 E9P5-D7 PolarHBondContact O-N 3.46Å; D7-E9 VanDerWaalsContact C-N 3.28Å; D7-E9 PolarHBondContact O-N 3.41Å
8P37.1Very low39.3Very low126 Ų126153.1 Ų153.182%0.81883%0.825SS**SBendtrans-88.422.1176.934.6-31.8000113.9
9E38.9Very low42.1Very low159 Ų159145.7 Ų145.774%0.74379%0.789SS**  trans-109.175.3176-75.5-166.9163.900112.2D7D7-E9 VanDerWaalsContact C-N 3.28Å; D7-E9 PolarHBondContact O-N 3.41Å
10Q33.3Very low44.9Very low193 Ų193139.8 Ų139.890%0.90276%0.755SS**  trans-170.956.5153.7-107.1165.137.200110.9A12Q10-A12 VanDerWaalsContact C-N 3.28Å; Q10-A12 PolarHBondContact O-N 3.04Å; Q10-A12 VanDerWaalsContact O-N 3.14Å
11R34.1Very low47.5Very low244 Ų244133.1 Ų133.192%0.92172%0.719SS**  trans-74.296.8149-98.2-176179-179-0.1106.3Q13R11-Q13 PolarHBondContact O-N 3.14Å
12A37.4Very low50.4Low90 Ų90121.4 Ų121.474%0.74466%0.662SS**  trans-44.2116.5162.200000107.7Q10 E14Q10-A12 VanDerWaalsContact C-N 3.28Å; Q10-A12 PolarHBondContact O-N 3.04Å; Q10-A12 VanDerWaalsContact O-N 3.14Å; A12-E14 PolarHBondContact O-N 2.95Å
13Q32.8Very low53.2Low173 Ų173116.3 Ų116.381%0.80863%0.626SS**  trans-59.4106.7169.8-75.3176.7-7.400106.2R11R11-Q13 PolarHBondContact O-N 3.14Å
14E32.4Very low56.2Low173 Ų173112.4 Ų112.481%0.80859%0.586SS**  trans-47.6136.8160.3-72.1177.416100107.5A12 R16A12-E14 PolarHBondContact O-N 2.95Å; E14-R16 PolarHBondContact O-N 2.96Å
15P37.6Very low59Low120 Ų120105.3 Ų105.378%0.77955%0.549SS*.  trans-58.8112.2178.424.8-30.8000106.7H17P15-H17 PolarHBondContact O-N 2.87Å
16R46.2Very low61.8Low230 Ų23099.6 Ų99.687%0.86851%0.512SS*.  trans-46.1118.2167.9-70.3-179.4-175.3175.51.3105.4E14 A18E14-R16 PolarHBondContact O-N 2.96Å; R16-A18 PolarHBondContact O-N 3.38Å
17H49.3Very low64.5Low185 Ų18593.4 Ų93.486%0.85648%0.476SS*.  trans-42.6120.7177.7-83.3-55.8000108.3P15 G19P15-H17 PolarHBondContact O-N 2.87Å; H17-G19 VanDerWaalsContact C-N 3.34Å; H17-G19 PolarHBondContact O-N 2.72Å
18A69.3Low67Low73 Ų7387.7 Ų87.760%0.60345%0.446SS*.  trans-60.799.4-174.600000108.2R16 F20R16-A18 PolarHBondContact O-N 3.38Å; A18-F20 WeakPolarHBondContact O-CD2 3.24Å; A18-F20 WeakPolarHBondContact O-CE2 3.38Å
19G91.9Very high69.4Low14 Ų1483.1 Ų83.114%0.14442%0.417CS..  trans-72.8163.2177.300000110.7H17 Q88 F482H17-G19 VanDerWaalsContact C-N 3.34Å; H17-G19 PolarHBondContact O-N 2.72Å; G19-Q88 CarbonylContact C-O 3.41Å; G19-Q88 WeakPolarHBondContact CA-O 3.03Å; G19-F482 WeakPolarHBondContact O-CE2 3.26Å; G19-F482 WeakPolarHBondContact O-CZ 3.38Å
20F98.3Very high72Confident26 Ų2677.1 Ų77.111%0.11439%0.391CS..EExtended strand (participates in β ladder)trans-129.5152.6175.7-61.9-94.9000109.9A18 V35 Y36 D37 C43 I84 Q88 I89 V90A18-F20 WeakPolarHBondContact O-CD2 3.24Å; A18-F20 WeakPolarHBondContact O-CE2 3.38Å; F20-V35 HydrophobicContact CB-CG1 3.71Å; F20-V35 HydrophobicContact CD1-CG1 3.79Å; F20-V35 HydrophobicContact CG-CG1 3.96Å; F20-Y36 WeakPolarHBondContact CA-O 3.38Å; F20-D37 HydrophobicContact CD1-CB 4.35Å; F20-D37 HydrophobicContact CE1-CB 4.16Å; F20-C43 HydrophobicContact CE1-CB 4.34Å; F20-I84 HydrophobicContact CB-CD1 3.9Å; F20-I84 HydrophobicContact CD1-CD1 4.16Å; F20-I84 HydrophobicContact CD2-CD1 3.41Å; F20-I84 VanDerWaalsContact CD2-CD1 3.41Å; F20-I84 HydrophobicContact CD2-CG2 4.29Å; F20-I84 HydrophobicContact CE2-CB 4.37Å; F20-I84 HydrophobicContact CE2-CD1 3.92Å; F20-I84 HydrophobicContact CE2-CG2 3.68Å; F20-I84 HydrophobicContact CG-CD1 3.54Å; F20-I84 HydrophobicContact CZ-CD1 4.47Å; F20-I84 HydrophobicContact CZ-CG2 3.81Å; F20-Q88 HydrophobicContact CD2-CB 4.12Å; F20-Q88 PolarHBondContact N-O 3.5Å; F20-I89 HydrophobicContact CB-CD1 3.93Å; F20-I89 CarbonylContact O-C 3.56Å; F20-I89 WeakPolarHBondContact O-CA 3.44Å; F20-V90 WeakPolarHBondContact O-CG2 3.36Å; F20-V90 PolarHBondContact O-N 3.22Å
21V98.3Very high75Confident0 Ų068 Ų680%035%0.349CS..EExtended strand (participates in β ladder)trans-112.8137.9174.4177.50000109.2Y36 V90 A473 A476 F482V21-Y36 PolarHBondContact N-O 3.25Å; V21-Y36 VanDerWaalsContact N-O 3.13Å; V21-Y36 PolarHBondContact O-N 3.21Å; V21-V90 HydrophobicContact CG2-CG2 3.78Å; V21-A473 HydrophobicContact CG1-CB 3.99Å; V21-A473 WeakPolarHBondContact CG1-O 3.18Å; V21-A476 HydrophobicContact CG1-CB 3.93Å; V21-F482 HydrophobicContact CB-CD1 4.3Å; V21-F482 HydrophobicContact CG2-CB 3.74Å; V21-F482 HydrophobicContact CG2-CD1 3.37Å; V21-F482 HydrophobicContact CG2-CD2 4.06Å; V21-F482 HydrophobicContact CG2-CE1 3.92Å; V21-F482 HydrophobicContact CG2-CG 3.43Å; V21-F482 VanDerWaalsContact CG2-CG 3.43Å; V21-F482 HydrophobicContact CG2-CZ 4.46Å
22L98.4Very high78Confident0 Ų059.8 Ų59.80%032%0.318CS..EExtended strand (participates in β ladder)trans-92.9127172.9-66.9178.8000110.3V35 I75 V79 I89 G91 L92 G93L22-V35 HydrophobicContact CD2-CB 4.29Å; L22-V35 HydrophobicContact CD2-CG2 3.66Å; L22-I75 HydrophobicContact CD1-CG2 3.89Å; L22-V79 HydrophobicContact CD1-CG2 4.39Å; L22-V79 HydrophobicContact CD2-CG2 3.95Å; L22-I89 HydrophobicContact CB-CG2 4.41Å; L22-I89 HydrophobicContact CD1-CD1 4.4Å; L22-I89 HydrophobicContact CD1-CG1 4.1Å; L22-I89 HydrophobicContact CD1-CG2 3.81Å; L22-I89 HydrophobicContact CD2-CD1 3.99Å; L22-I89 HydrophobicContact CG-CD1 3.97Å; L22-I89 HydrophobicContact CG-CG1 4.15Å; L22-I89 HydrophobicContact CG-CG2 3.67Å; L22-G91 PolarHBondContact N-O 2.92Å; L22-L92 HydrophobicContact CB-CD1 3.64Å; L22-L92 HydrophobicContact CD1-CD1 4.25Å; L22-G93 PolarHBondContact O-N 3.09Å
23G98.4Very high80.9Confident0 Ų055.5 Ų55.50%028%0.282CS..EExtended strand (participates in β ladder)trans-107.2122162.700000109.1C33 H34 C469G23-C33 WeakPolarHBondContact O-CA 3.37Å; G23-H34 PolarHBondContact N-O 3.19Å; G23-H34 PolarHBondContact O-N 2.61Å; G23-C469 WeakPolarHBondContact CA-O 3.34Å
24L98.1Very high84Confident0 Ų047.9 Ų47.90%025%0.247CC..EExtended strand (participates in β ladder)trans-120.4134.9177.8-172156000109.8V26 I31 R32 C33 F71 V74 I75 L92 G93 I94 S95L24-V26 HydrophobicContact CD2-CG2 3.35Å; L24-I31 HydrophobicContact CD2-CG2 4.27Å; L24-R32 CarbonylContact C-O 3.55Å; L24-R32 WeakPolarHBondContact CA-O 3.47Å; L24-C33 HydrophobicContact CD1-CB 4.33Å; L24-C33 HydrophobicContact CG-CB 4.28Å; L24-F71 HydrophobicContact CD1-CD2 3.79Å; L24-F71 HydrophobicContact CD1-CE1 4.3Å; L24-F71 HydrophobicContact CD1-CE2 3.3Å; L24-F71 HydrophobicContact CD1-CG 4.48Å; L24-F71 HydrophobicContact CD1-CZ 3.59Å; L24-F71 HydrophobicContact CD2-CD2 3.76Å; L24-F71 HydrophobicContact CD2-CE2 3.33Å; L24-F71 HydrophobicContact CD2-CZ 4.3Å; L24-F71 HydrophobicContact CG-CD2 4.44Å; L24-F71 HydrophobicContact CG-CE2 3.97Å; L24-V74 HydrophobicContact CD1-CG2 4.44Å; L24-I75 HydrophobicContact CD1-CD1 3.52Å; L24-I75 HydrophobicContact CD1-CG1 3.42Å; L24-I75 VanDerWaalsContact CD1-CG1 3.42Å; L24-L92 HydrophobicContact CB-CD1 4.32Å; L24-G93 PolarHBondContact N-O 3.25Å; L24-I94 HydrophobicContact CD2-CG2 4.39Å; L24-S95 WeakPolarHBondContact O-CA 3.31Å; L24-S95 WeakPolarHBondContact O-CB 3.22Å; L24-S95 PolarHBondContact O-N 3.18Å
25D98.1Very high87.2Confident13 Ų1339.6 Ų39.67%0.0721%0.208CC..EExtended strand (participates in β ladder)trans-124.5116.1175-175.638.4000111.5G27 I31 R32 S95 S468 C469D25-G27 PolarHBondContact O-N 2.79Å; D25-I31 CarbonylContact O-C 3.51Å; D25-I31 WeakPolarHBondContact O-CA 3.36Å; D25-R32 PolarHBondContact N-O 3.44Å; D25-R32 PolarHBondContact O-N 3Å; D25-S95 CarbonylContact C-O 3.6Å; D25-S95 WeakPolarHBondContact CA-O 3.43Å; D25-S95 WeakPolarHBondContact OD1-CB 3.25Å; D25-S95 PolarHBondContact OD1-OG 2.83Å; D25-S468 VanDerWaalsContact CG-CB 3.48Å; D25-S468 WeakPolarHBondContact OD2-CB 3.21Å; D25-C469 WeakPolarHBondContact CB-SG 3.37Å
26V97.6Very high90.1Very high0 Ų034 Ų340%017%0.171CC..EExtended strand (participates in β ladder)trans-93.677.6173.6-1690000109.1L24 I31 L67 F71 S95 T96 Q97 V196 L200L24-V26 HydrophobicContact CD2-CG2 3.35Å; V26-I31 HydrophobicContact CG1-CG1 4.31Å; V26-I31 HydrophobicContact CG2-CG2 4.13Å; V26-L67 HydrophobicContact CG1-CD1 4.03Å; V26-L67 HydrophobicContact CG1-CD2 4.46Å; V26-F71 HydrophobicContact CG2-CD2 3.89Å; V26-F71 HydrophobicContact CG2-CE2 4.11Å; V26-S95 PolarHBondContact N-O 2.89Å; V26-T96 HydrophobicContact CB-CG2 4.13Å; V26-T96 HydrophobicContact CG2-CG2 4.16Å; V26-Q97 WeakPolarHBondContact O-CB 3.42Å; V26-Q97 WeakPolarHBondContact O-CG 3.42Å; V26-Q97 PolarHBondContact O-N 3.04Å; V26-V196 HydrophobicContact CB-CG1 4.36Å; V26-V196 HydrophobicContact CG1-CG1 4Å; V26-L200 HydrophobicContact CG2-CD1 3.71Å
27G92.9Very high92.5Very high10 Ų1023.9 Ų23.910%0.10313%0.134CC..  trans-77.4173.6177.600000113.2D25 S29 V30 V50D25-G27 PolarHBondContact O-N 2.79Å; G27-S29 VanDerWaalsContact C-N 3.25Å; G27-S29 PolarHBondContact O-N 3.46Å; G27-V30 WeakPolarHBondContact CA-O 3.48Å; G27-V30 PolarHBondContact N-O 2.92Å; G27-V30 VanDerWaalsContact N-O 3.07Å; G27-V50 WeakPolarHBondContact O-CG2 3.39Å
28S87.1Confident94.7Very high13 Ų1320 Ų209%0.09111%0.112CC..SBendtrans-76.1-5-177.4-48.60000115.7Q97 W118S28-Q97 VanDerWaalsContact CB-OE1 3.32Å; S28-Q97 PolarHBondContact OG-OE1 2.87Å; S28-W118 PolarHBondContact OG-NE1 3.01Å
29S86.9Confident95.9Very high29 Ų2918.4 Ų18.420%0.20310%0.1CC..SBendtrans-132.1-23.3179.2-63.90000112.9G27 K49 V50G27-S29 VanDerWaalsContact C-N 3.25Å; G27-S29 PolarHBondContact O-N 3.46Å; S29-K49 WeakPolarHBondContact O-CA 3.23Å; S29-V50 PolarHBondContact O-N 2.94Å
30V92.8Very high96.1Very high34 Ų3418.7 Ų18.721%0.20610%0.101CC..EExtended strand (participates in β ladder)trans-147.6135.1-174.9-1740000107.9G27 R32 A47 Q48G27-V30 WeakPolarHBondContact CA-O 3.48Å; G27-V30 PolarHBondContact N-O 2.92Å; G27-V30 VanDerWaalsContact N-O 3.07Å; V30-R32 HydrophobicContact CB-CG 4.39Å; V30-R32 HydrophobicContact CG1-CG 3.56Å; V30-A47 HydrophobicContact CG1-CB 3.78Å; V30-Q48 CarbonylContact C-O 3.59Å; V30-Q48 VanDerWaalsContact CA-O 3.25Å; V30-Q48 WeakPolarHBondContact CA-O 3.39Å; V30-Q48 WeakPolarHBondContact CG1-O 3.48Å
31I96.9Very high95.9Very high0 Ų024.9 Ų24.90%012%0.123CC..EExtended strand (participates in β ladder)trans-92.2127.3162.1-43.3-178.4000106.9L24 D25 V26 A47 Q48 V50 L67 Q70 V74L24-I31 HydrophobicContact CD2-CG2 4.27Å; D25-I31 CarbonylContact O-C 3.51Å; D25-I31 WeakPolarHBondContact O-CA 3.36Å; V26-I31 HydrophobicContact CG1-CG1 4.31Å; V26-I31 HydrophobicContact CG2-CG2 4.13Å; I31-A47 CarbonylContact O-C 3.57Å; I31-A47 WeakPolarHBondContact O-CA 3.42Å; I31-Q48 PolarHBondContact N-O 3.45Å; I31-Q48 PolarHBondContact O-N 2.96Å; I31-V50 HydrophobicContact CD1-CG2 4.33Å; I31-V50 HydrophobicContact CG1-CG2 3.52Å; I31-L67 HydrophobicContact CD1-CD1 3.56Å; I31-L67 HydrophobicContact CD1-CG 4.33Å; I31-L67 HydrophobicContact CG1-CD1 4.23Å; I31-Q70 HydrophobicContact CD1-CB 3.65Å; I31-V74 HydrophobicContact CB-CG2 4.49Å; I31-V74 HydrophobicContact CG2-CG2 3.78Å
32R97Very high95.9Very high72 Ų7227.5 Ų27.527%0.27214%0.139SC..EExtended strand (participates in β ladder)trans-124.8145.1178-59.1-175.9-160.3128.520.4110.3L24 D25 V30 S46 A47 D466L24-R32 CarbonylContact C-O 3.55Å; L24-R32 WeakPolarHBondContact CA-O 3.47Å; D25-R32 PolarHBondContact N-O 3.44Å; D25-R32 PolarHBondContact O-N 3Å; V30-R32 HydrophobicContact CB-CG 4.39Å; V30-R32 HydrophobicContact CG1-CG 3.56Å; R32-S46 WeakPolarHBondContact CA-O 3.26Å; R32-A47 HydrophobicContact CG-CB 3.92Å; R32-D466 IonicContact CZ-OD1 3.07Å; R32-D466 IonicContact NH1-OD1 2.71Å; R32-D466 PolarHBondContact NH1-OD1 3.07Å; R32-D466 IonicContact NH1-OD2 3.01Å
33C98.4Very high95.8Very high0 Ų029.8 Ų29.80%016%0.155CC..EExtended strand (participates in β ladder)trans-136.3127.4171.3-175.70000109.5G23 L24 S45 S46 V74 A78G23-C33 WeakPolarHBondContact O-CA 3.37Å; L24-C33 HydrophobicContact CD1-CB 4.33Å; L24-C33 HydrophobicContact CG-CB 4.28Å; C33-S45 VanDerWaalsContact O-CA 3.31Å; C33-S45 WeakPolarHBondContact O-CA 3.47Å; C33-S46 PolarHBondContact N-O 3.02Å; C33-S46 PolarHBondContact O-N 3.13Å; C33-V74 HydrophobicContact CB-CB 4.24Å; C33-V74 HydrophobicContact CB-CG2 4.13Å; C33-A78 HydrophobicContact CB-CB 4.04Å; C33-A78 VanDerWaalsContact O-CB 3.28Å; C33-A78 WeakPolarHBondContact O-CB 3.27Å
34H98.4Very high95.8Very high13 Ų1330 Ų306%0.0616%0.157CC..EExtended strand (participates in β ladder)trans-117.2139.4176.6-69.3-177.1000110.2G23 Y36 V42 G44 S45 D464 D466 C469G23-H34 PolarHBondContact N-O 3.19Å; G23-H34 PolarHBondContact O-N 2.61Å; H34-Y36 HydrophobicContact CB-CD2 4.16Å; H34-Y36 HydrophobicContact CB-CE1 4.4Å; H34-Y36 HydrophobicContact CB-CE2 3.39Å; H34-Y36 AromaticContact ND1-CZ 3.89Å; H34-Y36 PolarHBondContact ND1-OH 2.99Å; H34-Y36 VanDerWaalsContact ND1-OH 3.09Å; H34-V42 HydrophobicContact CB-CG1 4.22Å; H34-V42 HydrophobicContact CB-CG2 4.34Å; H34-G44 WeakPolarHBondContact CA-O 3.19Å; H34-S45 VanDerWaalsContact CD2-CB 3.45Å; H34-S45 WeakPolarHBondContact CD2-CB 3.35Å; H34-D464 IonicContact CE1-OD2 2.71Å; H34-D464 IonicContact ND1-OD2 2.71Å; H34-D466 IonicContact CE1-OD2 3.08Å; H34-D466 IonicContact NE2-OD2 3.22Å; H34-C469 HydrophobicContact CB-CB 4.41Å
35V98.6Very high95.8Very high0 Ų033.1 Ų33.10%018%0.179CC..EExtended strand (participates in β ladder)trans-96.6121.5170.3-174.30000108.3F20 L22 V42 C43 G44 A78 V79 A82 I84 I89F20-V35 HydrophobicContact CB-CG1 3.71Å; F20-V35 HydrophobicContact CD1-CG1 3.79Å; F20-V35 HydrophobicContact CG-CG1 3.96Å; L22-V35 HydrophobicContact CD2-CB 4.29Å; L22-V35 HydrophobicContact CD2-CG2 3.66Å; V35-V42 CarbonylContact O-C 3.34Å; V35-V42 WeakPolarHBondContact O-CA 3.42Å; V35-C43 HydrophobicContact CG1-CB 4.45Å; V35-C43 PolarHBondContact O-N 2.85Å; V35-G44 PolarHBondContact N-O 3.12Å; V35-A78 HydrophobicContact CG2-CB 4.11Å; V35-A78 WeakPolarHBondContact CG2-O 3.4Å; V35-V79 HydrophobicContact CG2-CG2 4.21Å; V35-A82 HydrophobicContact CB-CB 4.01Å; V35-A82 HydrophobicContact CG1-CB 4.01Å; V35-A82 HydrophobicContact CG2-CB 3.94Å; V35-I84 HydrophobicContact CG1-CD1 3.65Å; V35-I89 HydrophobicContact CG1-CD1 4.48Å
36Y98.1Very high95.8Very high1 Ų133.4 Ų33.40%0.00418%0.181CC..EExtended strand (participates in β ladder)trans-108.7136.9-179.6-64.7-85.1000112.2F20 V21 H34 R41 V42 L470 A473F20-Y36 WeakPolarHBondContact CA-O 3.38Å; V21-Y36 PolarHBondContact N-O 3.25Å; V21-Y36 VanDerWaalsContact N-O 3.13Å; V21-Y36 PolarHBondContact O-N 3.21Å; H34-Y36 HydrophobicContact CB-CD2 4.16Å; H34-Y36 HydrophobicContact CB-CE1 4.4Å; H34-Y36 HydrophobicContact CB-CE2 3.39Å; H34-Y36 AromaticContact ND1-CZ 3.89Å; H34-Y36 PolarHBondContact ND1-OH 2.99Å; H34-Y36 VanDerWaalsContact ND1-OH 3.09Å; Y36-R41 WeakPolarHBondContact CA-O 3.4Å; Y36-V42 HydrophobicContact CD1-CG2 4.2Å; Y36-V42 HydrophobicContact CE1-CG2 3.56Å; Y36-L470 HydrophobicContact CD1-CD1 4.1Å; Y36-L470 HydrophobicContact CE1-CB 4.46Å; Y36-L470 HydrophobicContact CE1-CD1 3.8Å; Y36-L470 PolarHBondContact OH-N 3.4Å; Y36-A473 HydrophobicContact CD2-CB 3.45Å; Y36-A473 VanDerWaalsContact CD2-CB 3.45Å; Y36-A473 HydrophobicContact CE2-CB 3.68Å; Y36-A473 HydrophobicContact CG-CB 4.28Å
37D97.1Very high95.8Very high18 Ų1836.1 Ų36.110%0.09620%0.204CC..  trans-85.1-178.6166.271.79.9000112.3F20 A39 A40 R41 F482F20-D37 HydrophobicContact CD1-CB 4.35Å; F20-D37 HydrophobicContact CE1-CB 4.16Å; D37-A39 PolarHBondContact O-N 2.82Å; D37-A39 WeakPolarHBondContact OD1-CA 3.42Å; D37-A39 WeakPolarHBondContact OD1-CB 3.46Å; D37-A39 PolarHBondContact OD1-N 3.2Å; D37-A40 PolarHBondContact O-N 3.45Å; D37-A40 PolarHBondContact OD1-N 2.62Å; D37-R41 PolarHBondContact N-O 3.14Å; D37-R41 PolarHBondContact OD1-N 3.34Å; D37-R41 IonicContact OD1-NE 3.5Å; D37-R41 IonicContact OD2-CZ 3.25Å; D37-R41 IonicContact OD2-NE 2.74Å; D37-R41 PolarHBondContact OD2-NE 3.33Å; D37-R41 IonicContact OD2-NH2 3.8Å; D37-R41 PolarHBondContact OD2-NH2 2.95Å; D37-F482 WeakPolarHBondContact O-CE1 3.26Å
38R96Very high96Very high103 Ų10337.9 Ų37.939%0.38921%0.21SC..THydrogen-bonded Turntrans-63.2-24.3-179.6-171.363.7-171.2-146.89.7113.3A40 G481 F482 W483 E488R38-A40 PolarHBondContact O-N 3.31Å; R38-G481 PolarHBondContact NH1-O 3.26Å; R38-F482 HydrophobicContact CB-CZ 4.09Å; R38-F482 WeakPolarHBondContact CD-O 3.11Å; R38-F482 PolarHBondContact NE-O 3.4Å; R38-F482 VanDerWaalsContact NE-O 3.11Å; R38-F482 PolarHBondContact NH1-O 3.05Å; R38-W483 PolarHBondContact O-NE1 3.3Å; R38-E488 IonicContact CZ-OE1 2.76Å; R38-E488 IonicContact NE-OE1 2.96Å; R38-E488 PolarHBondContact NE-OE1 3.15Å; R38-E488 IonicContact NH2-OE1 3.13Å; R38-E488 PolarHBondContact NH2-OE1 3.38Å; R38-E488 IonicContact NH2-OE2 2.61Å; R38-E488 PolarHBondContact NH2-OE2 3.13Å; R38-E488 VanDerWaalsContact NH2-OE2 3.08Å
39A95.2Very high96.4Very high41 Ų4145 Ų4534%0.33924%0.239SC..THydrogen-bonded Turntrans-86.410.417600000112.7D37 R41D37-A39 PolarHBondContact O-N 2.82Å; D37-A39 WeakPolarHBondContact OD1-CA 3.42Å; D37-A39 WeakPolarHBondContact OD1-CB 3.46Å; D37-A39 PolarHBondContact OD1-N 3.2Å; A39-R41 HydrophobicContact CB-CG 4.07Å; A39-R41 PolarHBondContact O-N 2.74Å
40A95.4Very high96.8Very high20 Ų2043.7 Ų43.717%0.16523%0.23CC..  trans56.828.1-174.700000113.7D37 R38 L470 W483 L492D37-A40 PolarHBondContact O-N 3.45Å; D37-A40 PolarHBondContact OD1-N 2.62Å; R38-A40 PolarHBondContact O-N 3.31Å; A40-L470 HydrophobicContact CB-CD1 4.19Å; A40-W483 HydrophobicContact CB-CZ2 3.91Å; A40-L492 HydrophobicContact CB-CB 3.97Å; A40-L492 HydrophobicContact CB-CD1 4.1Å
41R95.2Very high96.8Very high155 Ų15547.3 Ų47.359%0.58524%0.244SC*.  trans-89.1138.6175-59177.9-61.6179.82.6110Y36 D37 A39 C43Y36-R41 WeakPolarHBondContact CA-O 3.4Å; D37-R41 PolarHBondContact N-O 3.14Å; D37-R41 PolarHBondContact OD1-N 3.34Å; D37-R41 IonicContact OD1-NE 3.5Å; D37-R41 IonicContact OD2-CZ 3.25Å; D37-R41 IonicContact OD2-NE 2.74Å; D37-R41 PolarHBondContact OD2-NE 3.33Å; D37-R41 IonicContact OD2-NH2 3.8Å; D37-R41 PolarHBondContact OD2-NH2 2.95Å; A39-R41 HydrophobicContact CB-CG 4.07Å; A39-R41 PolarHBondContact O-N 2.74Å; R41-C43 PolarHBondContact O-N 2.75Å
42V96.9Very high96.5Very high55 Ų5549 Ų4933%0.33325%0.254SS..EExtended strand (participates in β ladder)trans-69.1111.5172.9-178.10000109.1H34 V35 Y36 D464H34-V42 HydrophobicContact CB-CG1 4.22Å; H34-V42 HydrophobicContact CB-CG2 4.34Å; V35-V42 CarbonylContact O-C 3.34Å; V35-V42 WeakPolarHBondContact O-CA 3.42Å; Y36-V42 HydrophobicContact CD1-CG2 4.2Å; Y36-V42 HydrophobicContact CE1-CG2 3.56Å; V42-D464 WeakPolarHBondContact CG2-OD2 3.46Å
43C97.3Very high96.5Very high49 Ų4948.8 Ų48.833%0.33126%0.258SS..EExtended strand (participates in β ladder)trans-89.6-27.2177.4-63.90000112.1F20 V35 R41 A82F20-C43 HydrophobicContact CE1-CB 4.34Å; V35-C43 HydrophobicContact CG1-CB 4.45Å; V35-C43 PolarHBondContact O-N 2.85Å; R41-C43 PolarHBondContact O-N 2.75Å; C43-A82 HydrophobicContact CB-CB 4.09Å; C43-A82 WeakPolarHBondContact O-CA 3.17Å
44G97.9Very high96.2Very high5 Ų556 Ų565%0.05229%0.286CS..EExtended strand (participates in β ladder)trans-159.2148175.500000109.9H34 V35H34-G44 WeakPolarHBondContact CA-O 3.19Å; V35-G44 PolarHBondContact N-O 3.12Å
45S97.9Very high96Very high65 Ų6558.9 Ų58.946%0.45531%0.306SS..EExtended strand (participates in β ladder)trans-142.3143.8-177.858.60000110.1C33 H34C33-S45 VanDerWaalsContact O-CA 3.31Å; C33-S45 WeakPolarHBondContact O-CA 3.47Å; H34-S45 VanDerWaalsContact CD2-CB 3.45Å; H34-S45 WeakPolarHBondContact CD2-CB 3.35Å
46S98.4Very high95.5Very high18 Ų1864.2 Ų64.213%0.12633%0.33CS..EExtended strand (participates in β ladder)trans-136.4153.6162.3-176.20000110.3R32 C33 V74 E77R32-S46 WeakPolarHBondContact CA-O 3.26Å; C33-S46 PolarHBondContact N-O 3.02Å; C33-S46 PolarHBondContact O-N 3.13Å; S46-V74 WeakPolarHBondContact CB-O 3.46Å; S46-E77 VanDerWaalsContact CB-CB 3.5Å; S46-E77 WeakPolarHBondContact OG-CB 3.34Å; S46-E77 PolarHBondContact OG-OE2 2.84Å
47A97.4Very high94.7Very high58 Ų5872.6 Ų72.648%0.47937%0.373SS..EExtended strand (participates in β ladder)trans-143.1137.5177.500000110.5V30 I31 R32V30-A47 HydrophobicContact CG1-CB 3.78Å; I31-A47 CarbonylContact O-C 3.57Å; I31-A47 WeakPolarHBondContact O-CA 3.42Å; R32-A47 HydrophobicContact CG-CB 3.92Å
48Q97.6Very high93.8Very high47 Ų4773.2 Ų73.222%0.2238%0.384CS..EExtended strand (participates in β ladder)trans-129.6146.6171.7-72.1-171.217.900110.6V30 I31 Q70 V74 E77V30-Q48 CarbonylContact C-O 3.59Å; V30-Q48 VanDerWaalsContact CA-O 3.25Å; V30-Q48 WeakPolarHBondContact CA-O 3.39Å; V30-Q48 WeakPolarHBondContact CG1-O 3.48Å; I31-Q48 PolarHBondContact N-O 3.45Å; I31-Q48 PolarHBondContact O-N 2.96Å; Q48-Q70 HydrophobicContact CB-CB 4.45Å; Q48-V74 HydrophobicContact CB-CG1 3.78Å; Q48-V74 HydrophobicContact CG-CG1 3.61Å; Q48-E77 PolarHBondContact NE2-OE1 3.36Å; Q48-E77 PolarHBondContact NE2-OE2 3.34Å
49K95.5Very high93.6Very high161 Ų16170.4 Ų70.470%0.737%0.373SS*.EExtended strand (participates in β ladder)trans-74.4132.3-179-175.8-176.9174.2-171.20109.8S29 Q70S29-K49 WeakPolarHBondContact O-CA 3.23Å; K49-Q70 PolarHBondContact O-NE2 3.4Å; K49-Q70 PolarHBondContact O-OE1 3.15Å
50V93.9Very high93.5Very high3 Ų368.9 Ų68.92%0.01836%0.36CS..  trans-75.2128.7169.8175.80000109.2G27 S29 I31 I62 L67G27-V50 WeakPolarHBondContact O-CG2 3.39Å; S29-V50 PolarHBondContact O-N 2.94Å; I31-V50 HydrophobicContact CD1-CG2 4.33Å; I31-V50 HydrophobicContact CG1-CG2 3.52Å; V50-I62 HydrophobicContact CG1-CD1 3.87Å; V50-I62 HydrophobicContact CG1-CG1 4.19Å; V50-I62 HydrophobicContact CG1-CG2 4.15Å; V50-L67 HydrophobicContact CG1-CD1 4.47Å; V50-L67 HydrophobicContact CG2-CD1 4.28Å
51E92.9Very high93.6Very high109 Ų10969 Ų6951%0.50936%0.357SS..  trans-91.3107.1178.8-65-177.3-16100109.8
52N91.9Very high93.8Very high37 Ų3761.8 Ų61.820%0.19833%0.33CS..EExtended strand (participates in β ladder)trans-86.2134.5173-68.1-31.5000110Y54 V60N52-Y54 HydrophobicContact CB-CE2 3.84Å; N52-V60 HydrophobicContact CB-CG1 4.28Å
53L95.9Very high93.9Very high67 Ų6761.7 Ų61.735%0.35133%0.328SS..EExtended strand (participates in β ladder)trans-100.4139.7173.4-56.3177.4000109.4P55 V60 E61 D63L53-P55 VanDerWaalsContact C-CD 3.48Å; L53-P55 WeakPolarHBondContact O-CD 3.4Å; L53-V60 WeakPolarHBondContact O-CA 3.42Å; L53-E61 HydrophobicContact CB-CB 4.16Å; L53-E61 PolarHBondContact N-O 2.79Å; L53-E61 PolarHBondContact O-N 2.99Å; L53-D63 HydrophobicContact CD1-CB 4.23Å
54Y92.8Very high93.9Very high152 Ų15259.3 Ų59.360%0.59631%0.312SS*.  trans-123.671.4-179.9-58.8-82.5000109.9N52 Q56 V60N52-Y54 HydrophobicContact CB-CE2 3.84Å; Y54-Q56 VanDerWaalsContact C-N 3.26Å; Y54-Q56 PolarHBondContact O-N 3.4Å; Y54-V60 HydrophobicContact CD1-CG2 4.08Å; Y54-V60 HydrophobicContact CE1-CB 4.45Å; Y54-V60 HydrophobicContact CE1-CG1 4.07Å; Y54-V60 HydrophobicContact CE1-CG2 3.82Å
55P93.6Very high93.9Very high73 Ų7362.5 Ų62.547%0.47433%0.328SS..SBendtrans-66.5-28.8-173.626.4-34.5000112.9L53 W59 E61L53-P55 VanDerWaalsContact C-CD 3.48Å; L53-P55 WeakPolarHBondContact O-CD 3.4Å; P55-W59 HydrophobicContact CG-CB 3.97Å; P55-W59 HydrophobicContact CG-CE3 4.11Å; P55-E61 HydrophobicContact CG-CG 4.22Å
56Q88.2Confident93.9Very high111 Ų11161.6 Ų61.652%0.51932%0.319SS..SBendtrans-143.6164.6175.4-59.9-174.218.800110.2Y54 G58 W59Y54-Q56 VanDerWaalsContact C-N 3.26Å; Y54-Q56 PolarHBondContact O-N 3.4Å; Q56-G58 PolarHBondContact O-N 3.33Å; Q56-W59 HydrophobicContact CB-CB 4.19Å; Q56-W59 HydrophobicContact CB-CD2 4.01Å; Q56-W59 HydrophobicContact CB-CG 3.81Å; Q56-W59 HydrophobicContact CG-CD2 4.29Å; Q56-W59 HydrophobicContact CG-CE3 4.46Å; Q56-W59 WeakPolarHBondContact O-CB 3.46Å; Q56-W59 PolarHBondContact O-N 2.82Å
57I81Confident93.9Very high177 Ų17760.8 Ų60.891%0.90831%0.314SS*.THydrogen-bonded Turntrans-58.3126.6175.5-62.8174.1000109.5W59I57-W59 PolarHBondContact O-N 3.43Å
58G79.1Confident94Very high31 Ų3160 Ų6032%0.3230%0.298SS..THydrogen-bonded Turntrans77.9-4.8-177.900000114.8Q56 L121Q56-G58 PolarHBondContact O-N 3.33Å; G58-L121 WeakPolarHBondContact O-CB 3.25Å; G58-L121 PolarHBondContact O-N 3.36Å
59W91.9Very high94Very high44 Ų4463.4 Ų63.417%0.16732%0.317CS..  trans-92135176.2-68.434.7000109.6P55 Q56 I57 D120 R122 W174P55-W59 HydrophobicContact CG-CB 3.97Å; P55-W59 HydrophobicContact CG-CE3 4.11Å; Q56-W59 HydrophobicContact CB-CB 4.19Å; Q56-W59 HydrophobicContact CB-CD2 4.01Å; Q56-W59 HydrophobicContact CB-CG 3.81Å; Q56-W59 HydrophobicContact CG-CD2 4.29Å; Q56-W59 HydrophobicContact CG-CE3 4.46Å; Q56-W59 WeakPolarHBondContact O-CB 3.46Å; Q56-W59 PolarHBondContact O-N 2.82Å; I57-W59 PolarHBondContact O-N 3.43Å; W59-D120 VanDerWaalsContact CA-OD2 3.23Å; W59-D120 WeakPolarHBondContact CA-OD2 3.35Å; W59-R122 HydrophobicContact CD2-CB 4.02Å; W59-R122 VanDerWaalsContact CE3-NH2 3.32Å; W59-R122 HydrophobicContact CG-CB 4.21Å; W59-R122 HydrophobicContact CZ2-CB 3.96Å; W59-W174 AromaticContact CH2-CH2 3.42Å; W59-W174 HydrophobicContact CH2-CH2 3.42Å; W59-W174 VanDerWaalsContact CH2-CH2 3.42Å; W59-W174 AromaticContact CH2-CZ2 3.62Å; W59-W174 HydrophobicContact CH2-CZ2 3.62Å; W59-W174 HydrophobicContact CH2-CZ3 4.35Å; W59-W174 HydrophobicContact CZ2-CH2 4.05Å; W59-W174 AromaticContact CZ2-CZ2 3.78Å; W59-W174 HydrophobicContact CZ2-CZ2 3.78Å; W59-W174 HydrophobicContact CZ3-CH2 4.16Å
60V93.3Very high94.1Very high10 Ų1056.4 Ų56.46%0.06129%0.287CS..  trans-135.7113.9-179.1-1710000108.2N52 L53 Y54 S117 Q119 D120N52-V60 HydrophobicContact CB-CG1 4.28Å; L53-V60 WeakPolarHBondContact O-CA 3.42Å; Y54-V60 HydrophobicContact CD1-CG2 4.08Å; Y54-V60 HydrophobicContact CE1-CB 4.45Å; Y54-V60 HydrophobicContact CE1-CG1 4.07Å; Y54-V60 HydrophobicContact CE1-CG2 3.82Å; V60-S117 WeakPolarHBondContact O-CB 3.28Å; V60-S117 PolarHBondContact O-N 2.96Å; V60-Q119 HydrophobicContact CB-CB 4.26Å; V60-Q119 HydrophobicContact CG1-CB 4.39Å; V60-Q119 HydrophobicContact CG2-CB 4.03Å; V60-D120 HydrophobicContact CB-CB 4.45Å; V60-D120 PolarHBondContact N-OD2 3.27Å
61E97.9Very high94.3Very high23 Ų2356.3 Ų56.311%0.10729%0.286CS..EExtended strand (participates in β ladder)trans-122.4160.1-177.9-65.9-176.1-177.900111.6L53 P55 N114 F115 I116 R122L53-E61 HydrophobicContact CB-CB 4.16Å; L53-E61 PolarHBondContact N-O 2.79Å; L53-E61 PolarHBondContact O-N 2.99Å; P55-E61 HydrophobicContact CG-CG 4.22Å; E61-N114 HydrophobicContact CB-CB 3.87Å; E61-N114 HydrophobicContact CG-CB 4.32Å; E61-N114 WeakPolarHBondContact OE2-CB 3.44Å; E61-N114 PolarHBondContact OE2-ND2 3.3Å; E61-F115 CarbonylContact C-O 3.57Å; E61-F115 WeakPolarHBondContact CA-O 3.48Å; E61-I116 HydrophobicContact CG-CD1 4.11Å; E61-R122 VanDerWaalsContact CG-NH2 3.26Å; E61-R122 IonicContact OE1-CZ 2.68Å; E61-R122 IonicContact OE1-NH1 2.64Å; E61-R122 PolarHBondContact OE1-NH1 3.03Å; E61-R122 IonicContact OE1-NH2 3.88Å; E61-R122 PolarHBondContact OE1-NH2 3.3Å
62I98.4Very high94.6Very high3 Ų352 Ų522%0.01527%0.267CS..EExtended strand (participates in β ladder)trans-131.3129.6171.8-56.2165.1000108.1V50 P64 L67 Q97 T100 N114 F115V50-I62 HydrophobicContact CG1-CD1 3.87Å; V50-I62 HydrophobicContact CG1-CG1 4.19Å; V50-I62 HydrophobicContact CG1-CG2 4.15Å; I62-P64 WeakPolarHBondContact O-CD 3.32Å; I62-L67 HydrophobicContact CG2-CB 4.13Å; I62-L67 HydrophobicContact CG2-CD1 4.17Å; I62-Q97 VanDerWaalsContact CD1-NE2 3.3Å; I62-T100 HydrophobicContact CD1-CG2 4.48Å; I62-N114 WeakPolarHBondContact O-CB 3.31Å; I62-F115 HydrophobicContact CB-CB 4Å; I62-F115 PolarHBondContact N-O 3.46Å; I62-F115 WeakPolarHBondContact O-CB 3.28Å; I62-F115 PolarHBondContact O-N 2.85Å
63D98.4Very high94.9Very high52 Ų5251.4 Ų51.428%0.27827%0.267SS..  trans-67119.7175-176.5-47.7000109.8L53 D65 V66 L67L53-D63 HydrophobicContact CD1-CB 4.23Å; D63-D65 VanDerWaalsContact C-N 3.34Å; D63-D65 PolarHBondContact O-N 3.37Å; D63-D65 PolarHBondContact OD1-N 2.99Å; D63-V66 HydrophobicContact CB-CB 3.98Å; D63-V66 HydrophobicContact CB-CG2 3.88Å; D63-V66 PolarHBondContact OD1-N 3.06Å; D63-L67 WeakPolarHBondContact O-CB 3.39Å; D63-L67 PolarHBondContact O-N 2.92Å
64P98.3Very high95Very high0 Ų048.2 Ų48.20%025%0.25CS..Hα-helixtrans-69.1-28.9-17527.9-36.5000113.8I62 W68 I102 H111 F115 W199I62-P64 WeakPolarHBondContact O-CD 3.32Å; P64-W68 VanDerWaalsContact O-CB 3.29Å; P64-W68 WeakPolarHBondContact O-CB 3.36Å; P64-W68 PolarHBondContact O-N 3.35Å; P64-I102 HydrophobicContact CB-CD1 3.63Å; P64-I102 HydrophobicContact CG-CD1 3.88Å; P64-H111 HydrophobicContact CG-CB 4.42Å; P64-H111 WeakPolarHBondContact CG-CD2 3.34Å; P64-H111 VanDerWaalsContact CG-NE2 3.28Å; P64-H111 WeakPolarHBondContact CG-NE2 3.41Å; P64-F115 HydrophobicContact CB-CD2 3.75Å; P64-F115 HydrophobicContact CB-CE2 3.58Å; P64-W199 HydrophobicContact CB-CZ2 4.47Å
65D97.9Very high95.3Very high72 Ų7241 Ų4139%0.38522%0.222SC..Hα-helixtrans-80.1-39.4-179.6-67.6-47.5000110.3D63 W68 I69 H111D63-D65 VanDerWaalsContact C-N 3.34Å; D63-D65 PolarHBondContact O-N 3.37Å; D63-D65 PolarHBondContact OD1-N 2.99Å; D65-W68 PolarHBondContact O-N 3.39Å; D65-I69 VanDerWaalsContact O-CG1 3.31Å; D65-I69 WeakPolarHBondContact O-CG1 3.29Å; D65-I69 PolarHBondContact O-N 3.12Å; D65-H111 IonicContact OD1-NE2 3.92Å; D65-H111 IonicContact OD2-CD2 3.25Å; D65-H111 IonicContact OD2-CE1 3.35Å; D65-H111 IonicContact OD2-NE2 2.89Å; D65-H111 PolarHBondContact OD2-NE2 3.47Å
66V98.3Very high95.5Very high46 Ų4642.3 Ų42.328%0.27922%0.22SC..Hα-helixtrans-60.9-49.5169.8176.80000110.4D63 W68 I69 Q70D63-V66 HydrophobicContact CB-CB 3.98Å; D63-V66 HydrophobicContact CB-CG2 3.88Å; D63-V66 PolarHBondContact OD1-N 3.06Å; V66-W68 VanDerWaalsContact C-N 3.27Å; V66-W68 PolarHBondContact O-N 3.28Å; V66-I69 PolarHBondContact O-N 2.73Å; V66-Q70 HydrophobicContact CG1-CG 4.3Å; V66-Q70 VanDerWaalsContact O-CG 3.3Å; V66-Q70 WeakPolarHBondContact O-CG 3.42Å; V66-Q70 PolarHBondContact O-N 3.44Å
67L98.3Very high96.1Very high1 Ų141 Ų411%0.00521%0.214CC..Hα-helixtrans-57.4-41.6178-173.977.4000111.4V26 I31 V50 I62 D63 Q70 F71 F115 V196V26-L67 HydrophobicContact CG1-CD1 4.03Å; V26-L67 HydrophobicContact CG1-CD2 4.46Å; I31-L67 HydrophobicContact CD1-CD1 3.56Å; I31-L67 HydrophobicContact CD1-CG 4.33Å; I31-L67 HydrophobicContact CG1-CD1 4.23Å; V50-L67 HydrophobicContact CG1-CD1 4.47Å; V50-L67 HydrophobicContact CG2-CD1 4.28Å; I62-L67 HydrophobicContact CG2-CB 4.13Å; I62-L67 HydrophobicContact CG2-CD1 4.17Å; D63-L67 WeakPolarHBondContact O-CB 3.39Å; D63-L67 PolarHBondContact O-N 2.92Å; L67-Q70 PolarHBondContact O-N 3.21Å; L67-F71 WeakPolarHBondContact O-CB 3.49Å; L67-F71 PolarHBondContact O-N 2.75Å; L67-F115 HydrophobicContact CD2-CD2 4.08Å; L67-F115 HydrophobicContact CD2-CE2 3.69Å; L67-F115 HydrophobicContact CD2-CZ 4.31Å; L67-V196 HydrophobicContact CD2-CG1 4.27Å
68W98.3Very high96.9Very high42 Ų4232.5 Ų32.516%0.15917%0.171CC..Hα-helixtrans-63.8-44.5177.8175.3-111.2000112.7P64 D65 V66 F71 V72 L200 K203 L204 I262P64-W68 VanDerWaalsContact O-CB 3.29Å; P64-W68 WeakPolarHBondContact O-CB 3.36Å; P64-W68 PolarHBondContact O-N 3.35Å; D65-W68 PolarHBondContact O-N 3.39Å; V66-W68 VanDerWaalsContact C-N 3.27Å; V66-W68 PolarHBondContact O-N 3.28Å; W68-F71 HydrophobicContact CE3-CD1 4.14Å; W68-F71 AromaticContact CZ3-CD1 3.91Å; W68-F71 HydrophobicContact CZ3-CD1 3.91Å; W68-F71 HydrophobicContact CZ3-CE1 4.16Å; W68-F71 WeakPolarHBondContact O-CB 3.39Å; W68-F71 PolarHBondContact O-N 3.03Å; W68-V72 HydrophobicContact CD2-CG2 4.1Å; W68-V72 HydrophobicContact CE3-CG2 4.37Å; W68-V72 HydrophobicContact CH2-CG2 4.01Å; W68-V72 HydrophobicContact CZ2-CG2 3.69Å; W68-V72 HydrophobicContact CZ3-CG2 4.33Å; W68-V72 WeakPolarHBondContact O-CG2 3.47Å; W68-V72 PolarHBondContact O-N 3.38Å; W68-L200 HydrophobicContact CE3-CD2 3.92Å; W68-L200 HydrophobicContact CZ3-CD2 4.17Å; W68-K203 HydrophobicContact CD2-CB 4.21Å; W68-K203 HydrophobicContact CE3-CB 3.74Å; W68-K203 HydrophobicContact CE3-CG 4.32Å; W68-K203 HydrophobicContact CH2-CB 3.64Å; W68-K203 HydrophobicContact CZ2-CB 4.11Å; W68-K203 HydrophobicContact CZ3-CB 3.45Å; W68-K203 VanDerWaalsContact CZ3-CB 3.45Å; W68-K203 HydrophobicContact CZ3-CG 4.47Å; W68-L204 HydrophobicContact CH2-CD2 3.71Å; W68-L204 HydrophobicContact CH2-CG 3.89Å; W68-L204 HydrophobicContact CZ3-CD2 4.14Å; W68-L204 HydrophobicContact CZ3-CG 4.01Å; W68-I262 HydrophobicContact CH2-CD1 4.13Å; W68-I262 HydrophobicContact CZ2-CD1 4.08Å
69I98.3Very high97.8Very high117 Ų11731.3 Ų31.360%0.616%0.157SC*.Hα-helixtrans-61-47.8176.6-69.6164.7000110.2D65 V66 F71 V72 A73D65-I69 VanDerWaalsContact O-CG1 3.31Å; D65-I69 WeakPolarHBondContact O-CG1 3.29Å; D65-I69 PolarHBondContact O-N 3.12Å; V66-I69 PolarHBondContact O-N 2.73Å; I69-F71 VanDerWaalsContact C-N 3.34Å; I69-F71 PolarHBondContact O-N 3.02Å; I69-V72 PolarHBondContact O-N 3.49Å; I69-A73 VanDerWaalsContact O-CB 3.32Å; I69-A73 WeakPolarHBondContact O-CB 3.44Å; I69-A73 PolarHBondContact O-N 3.45Å
70Q98.3Very high98.1Very high15 Ų1537.5 Ų37.57%0.0719%0.185CC..Hα-helixtrans-60.7-44177.7-66.7179.4-2300111.3I31 Q48 K49 V66 L67 A73 V74I31-Q70 HydrophobicContact CD1-CB 3.65Å; Q48-Q70 HydrophobicContact CB-CB 4.45Å; K49-Q70 PolarHBondContact O-NE2 3.4Å; K49-Q70 PolarHBondContact O-OE1 3.15Å; V66-Q70 HydrophobicContact CG1-CG 4.3Å; V66-Q70 VanDerWaalsContact O-CG 3.3Å; V66-Q70 WeakPolarHBondContact O-CG 3.42Å; V66-Q70 PolarHBondContact O-N 3.44Å; L67-Q70 PolarHBondContact O-N 3.21Å; Q70-A73 PolarHBondContact O-N 2.86Å; Q70-V74 WeakPolarHBondContact O-CG1 3.25Å; Q70-V74 WeakPolarHBondContact O-CG2 3.19Å; Q70-V74 PolarHBondContact O-N 3.21Å
71F98.2Very high98.4Very high1 Ų140 Ų400%0.00421%0.207CC..Hα-helixtrans-58-48.6177.6175.9-84.8000112.5L24 V26 L67 W68 I69 A73 V74 I75 I94 L200 L204L24-F71 HydrophobicContact CD1-CD2 3.79Å; L24-F71 HydrophobicContact CD1-CE1 4.3Å; L24-F71 HydrophobicContact CD1-CE2 3.3Å; L24-F71 HydrophobicContact CD1-CG 4.48Å; L24-F71 HydrophobicContact CD1-CZ 3.59Å; L24-F71 HydrophobicContact CD2-CD2 3.76Å; L24-F71 HydrophobicContact CD2-CE2 3.33Å; L24-F71 HydrophobicContact CD2-CZ 4.3Å; L24-F71 HydrophobicContact CG-CD2 4.44Å; L24-F71 HydrophobicContact CG-CE2 3.97Å; V26-F71 HydrophobicContact CG2-CD2 3.89Å; V26-F71 HydrophobicContact CG2-CE2 4.11Å; L67-F71 WeakPolarHBondContact O-CB 3.49Å; L67-F71 PolarHBondContact O-N 2.75Å; W68-F71 HydrophobicContact CE3-CD1 4.14Å; W68-F71 AromaticContact CZ3-CD1 3.91Å; W68-F71 HydrophobicContact CZ3-CD1 3.91Å; W68-F71 HydrophobicContact CZ3-CE1 4.16Å; W68-F71 WeakPolarHBondContact O-CB 3.39Å; W68-F71 PolarHBondContact O-N 3.03Å; I69-F71 VanDerWaalsContact C-N 3.34Å; I69-F71 PolarHBondContact O-N 3.02Å; F71-A73 VanDerWaalsContact C-N 3.34Å; F71-V74 WeakPolarHBondContact O-CG2 3.44Å; F71-I75 HydrophobicContact CD1-CD1 4.05Å; F71-I75 HydrophobicContact CE1-CD1 3.46Å; F71-I75 VanDerWaalsContact CE1-CD1 3.46Å; F71-I75 HydrophobicContact CZ-CD1 3.82Å; F71-I75 PolarHBondContact O-N 3.28Å; F71-I94 HydrophobicContact CZ-CD1 4.28Å; F71-L200 HydrophobicContact CB-CD2 4.41Å; F71-L200 HydrophobicContact CD1-CD2 4.23Å; F71-L200 HydrophobicContact CD2-CD1 3.84Å; F71-L200 HydrophobicContact CD2-CD2 3.82Å; F71-L200 HydrophobicContact CD2-CG 4.43Å; F71-L200 HydrophobicContact CE2-CD1 3.68Å; F71-L200 HydrophobicContact CE2-CD2 4.09Å; F71-L200 HydrophobicContact CE2-CG 4.34Å; F71-L200 HydrophobicContact CG-CD2 3.89Å; F71-L200 HydrophobicContact CZ-CD1 4.49Å; F71-L200 HydrophobicContact CZ-CD2 4.46Å; F71-L204 HydrophobicContact CE1-CD1 3.97Å; F71-L204 HydrophobicContact CE1-CD2 3.95Å; F71-L204 HydrophobicContact CE1-CG 4.2Å; F71-L204 HydrophobicContact CZ-CD1 3.93Å
72V98.4Very high98.4Very high19 Ų1940 Ų4012%0.11521%0.211CC..Hα-helixtrans-67.2-38.6178.6172.30000111W68 I69 I75 K76 I262 F263W68-V72 HydrophobicContact CD2-CG2 4.1Å; W68-V72 HydrophobicContact CE3-CG2 4.37Å; W68-V72 HydrophobicContact CH2-CG2 4.01Å; W68-V72 HydrophobicContact CZ2-CG2 3.69Å; W68-V72 HydrophobicContact CZ3-CG2 4.33Å; W68-V72 WeakPolarHBondContact O-CG2 3.47Å; W68-V72 PolarHBondContact O-N 3.38Å; I69-V72 PolarHBondContact O-N 3.49Å; V72-I75 PolarHBondContact O-N 3.43Å; V72-K76 HydrophobicContact CG1-CD 4.13Å; V72-K76 WeakPolarHBondContact O-CG 3.22Å; V72-K76 PolarHBondContact O-N 2.97Å; V72-I262 HydrophobicContact CG1-CG2 4.38Å; V72-I262 HydrophobicContact CG2-CG2 4.27Å; V72-F263 HydrophobicContact CG1-CE1 3.86Å; V72-F263 HydrophobicContact CG1-CZ 4.4Å
73A98.5Very high98.3Very high24 Ų2443.1 Ų43.120%0.19824%0.244CC..Hα-helixtrans-63.9-47179.500000112.1I69 Q70 F71 I75 K76 E77I69-A73 VanDerWaalsContact O-CB 3.32Å; I69-A73 WeakPolarHBondContact O-CB 3.44Å; I69-A73 PolarHBondContact O-N 3.45Å; Q70-A73 PolarHBondContact O-N 2.86Å; F71-A73 VanDerWaalsContact C-N 3.34Å; A73-I75 VanDerWaalsContact C-N 3.27Å; A73-I75 PolarHBondContact O-N 3.14Å; A73-K76 PolarHBondContact O-N 3.5Å; A73-K76 VanDerWaalsContact O-N 3.14Å; A73-E77 WeakPolarHBondContact O-CB 3.5Å; A73-E77 VanDerWaalsContact O-CG 3.29Å; A73-E77 WeakPolarHBondContact O-CG 3.44Å; A73-E77 PolarHBondContact O-N 2.79Å
74V98.4Very high98.3Very high0 Ų041.6 Ų41.60%024%0.235CC..Hα-helixtrans-61.8-35-179.5-66.60000112.6L24 I31 C33 S46 Q48 Q70 F71 A78L24-V74 HydrophobicContact CD1-CG2 4.44Å; I31-V74 HydrophobicContact CB-CG2 4.49Å; I31-V74 HydrophobicContact CG2-CG2 3.78Å; C33-V74 HydrophobicContact CB-CB 4.24Å; C33-V74 HydrophobicContact CB-CG2 4.13Å; S46-V74 WeakPolarHBondContact CB-O 3.46Å; Q48-V74 HydrophobicContact CB-CG1 3.78Å; Q48-V74 HydrophobicContact CG-CG1 3.61Å; Q70-V74 WeakPolarHBondContact O-CG1 3.25Å; Q70-V74 WeakPolarHBondContact O-CG2 3.19Å; Q70-V74 PolarHBondContact O-N 3.21Å; F71-V74 WeakPolarHBondContact O-CG2 3.44Å; V74-A78 VanDerWaalsContact O-CB 3.22Å; V74-A78 WeakPolarHBondContact O-CB 3.31Å; V74-A78 PolarHBondContact O-N 3.17Å
75I98.6Very high98.2Very high1 Ų147.7 Ų47.71%0.00526%0.264CS..Hα-helixtrans-64.7-50.7174.7-67.1166.3000110.1L22 L24 F71 V72 A73 E77 A78 V79 M86 F263L22-I75 HydrophobicContact CD1-CG2 3.89Å; L24-I75 HydrophobicContact CD1-CD1 3.52Å; L24-I75 HydrophobicContact CD1-CG1 3.42Å; L24-I75 VanDerWaalsContact CD1-CG1 3.42Å; F71-I75 HydrophobicContact CD1-CD1 4.05Å; F71-I75 HydrophobicContact CE1-CD1 3.46Å; F71-I75 VanDerWaalsContact CE1-CD1 3.46Å; F71-I75 HydrophobicContact CZ-CD1 3.82Å; F71-I75 PolarHBondContact O-N 3.28Å; V72-I75 PolarHBondContact O-N 3.43Å; A73-I75 VanDerWaalsContact C-N 3.27Å; A73-I75 PolarHBondContact O-N 3.14Å; I75-E77 VanDerWaalsContact C-N 3.31Å; I75-E77 PolarHBondContact O-N 3.28Å; I75-A78 PolarHBondContact O-N 3.23Å; I75-V79 WeakPolarHBondContact O-CG2 3.44Å; I75-V79 PolarHBondContact O-N 2.89Å; I75-M86 HydrophobicContact CG2-CE 3.98Å; I75-M86 HydrophobicContact CG2-SD 4.46Å; I75-F263 HydrophobicContact CB-CE1 4.18Å; I75-F263 HydrophobicContact CB-CZ 4.01Å; I75-F263 HydrophobicContact CD1-CE2 4.23Å; I75-F263 HydrophobicContact CD1-CZ 3.67Å; I75-F263 HydrophobicContact CG1-CZ 4.45Å; I75-F263 HydrophobicContact CG2-CE1 3.91Å; I75-F263 HydrophobicContact CG2-CE2 4.32Å; I75-F263 HydrophobicContact CG2-CZ 3.76Å
76K98.5Very high98.2Very high99 Ų9945.6 Ų45.643%0.4325%0.252SS..Hα-helixtrans-59.2-43179.8-72.5177.9178.8179.50111.8V72 A73 K80 M86 I262 F263V72-K76 HydrophobicContact CG1-CD 4.13Å; V72-K76 WeakPolarHBondContact O-CG 3.22Å; V72-K76 PolarHBondContact O-N 2.97Å; A73-K76 PolarHBondContact O-N 3.5Å; A73-K76 VanDerWaalsContact O-N 3.14Å; K76-K80 VanDerWaalsContact O-CB 3.26Å; K76-K80 WeakPolarHBondContact O-CB 3.4Å; K76-K80 PolarHBondContact O-N 3.25Å; K76-M86 HydrophobicContact CB-CE 4.34Å; K76-M86 HydrophobicContact CG-CE 3.95Å; K76-I262 WeakPolarHBondContact CE-O 3.43Å; K76-I262 PolarHBondContact NZ-O 2.95Å; K76-F263 HydrophobicContact CD-CE1 4.48Å; K76-F263 HydrophobicContact CG-CD1 4.06Å; K76-F263 HydrophobicContact CG-CE1 3.97Å
77E98.8Very high98.1Very high83 Ų8349 Ų4939%0.38827%0.269SS..Hα-helixtrans-69.4-42179.8-71.6167.6-177.900112.4S46 Q48 A73 I75 K80 A81S46-E77 VanDerWaalsContact CB-CB 3.5Å; S46-E77 WeakPolarHBondContact OG-CB 3.34Å; S46-E77 PolarHBondContact OG-OE2 2.84Å; Q48-E77 PolarHBondContact NE2-OE1 3.36Å; Q48-E77 PolarHBondContact NE2-OE2 3.34Å; A73-E77 WeakPolarHBondContact O-CB 3.5Å; A73-E77 VanDerWaalsContact O-CG 3.29Å; A73-E77 WeakPolarHBondContact O-CG 3.44Å; A73-E77 PolarHBondContact O-N 2.79Å; I75-E77 VanDerWaalsContact C-N 3.31Å; I75-E77 PolarHBondContact O-N 3.28Å; E77-K80 PolarHBondContact O-N 3.08Å; E77-A81 VanDerWaalsContact O-CB 3.25Å; E77-A81 WeakPolarHBondContact O-CB 3.41Å; E77-A81 PolarHBondContact O-N 2.69Å
78A98.6Very high98.1Very high0 Ų052 Ų520%028%0.283CS..Hα-helixtrans-63.6-44.3177.800000111.8C33 V35 V74 I75 A81 A82C33-A78 HydrophobicContact CB-CB 4.04Å; C33-A78 VanDerWaalsContact O-CB 3.28Å; C33-A78 WeakPolarHBondContact O-CB 3.27Å; V35-A78 HydrophobicContact CG2-CB 4.11Å; V35-A78 WeakPolarHBondContact CG2-O 3.4Å; V74-A78 VanDerWaalsContact O-CB 3.22Å; V74-A78 WeakPolarHBondContact O-CB 3.31Å; V74-A78 PolarHBondContact O-N 3.17Å; I75-A78 PolarHBondContact O-N 3.23Å; A78-A81 PolarHBondContact O-N 3.13Å; A78-A82 PolarHBondContact O-N 3.34Å
79V98.4Very high98.1Very high5 Ų550.4 Ų50.43%0.0328%0.277CS..Hα-helixtrans-64.1-43.2176.2172.60000111.2L22 V35 I75 A82 G83 I84 M86 I89L22-V79 HydrophobicContact CD1-CG2 4.39Å; L22-V79 HydrophobicContact CD2-CG2 3.95Å; V35-V79 HydrophobicContact CG2-CG2 4.21Å; I75-V79 WeakPolarHBondContact O-CG2 3.44Å; I75-V79 PolarHBondContact O-N 2.89Å; V79-A82 PolarHBondContact O-N 2.72Å; V79-G83 PolarHBondContact O-N 2.87Å; V79-I84 HydrophobicContact CG1-CG1 3.93Å; V79-I84 PolarHBondContact O-N 2.97Å; V79-M86 HydrophobicContact CB-CE 3.69Å; V79-M86 HydrophobicContact CB-SD 4.1Å; V79-M86 HydrophobicContact CG1-CE 3.92Å; V79-M86 HydrophobicContact CG1-CG 4.32Å; V79-M86 HydrophobicContact CG1-SD 3.89Å; V79-M86 HydrophobicContact CG2-CE 3.75Å; V79-M86 HydrophobicContact CG2-SD 3.77Å; V79-I89 HydrophobicContact CG2-CD1 4.19Å; V79-I89 HydrophobicContact CG2-CG1 4.36Å
80K98.4Very high98.1Very high174 Ų17447.5 Ų47.576%0.75727%0.265SS*.Hα-helixtrans-61.9-43.2174.1-177.8-177.7177.5-175.40111.9K76 E77 A82 G83K76-K80 VanDerWaalsContact O-CB 3.26Å; K76-K80 WeakPolarHBondContact O-CB 3.4Å; K76-K80 PolarHBondContact O-N 3.25Å; E77-K80 PolarHBondContact O-N 3.08Å; K80-A82 VanDerWaalsContact C-N 3.25Å; K80-A82 PolarHBondContact O-N 3.11Å; K80-G83 PolarHBondContact O-N 3.19Å
81A98.4Very high98Very high64 Ų6446.8 Ų46.853%0.52926%0.262SS..Hα-helixtrans-63.6-32.2178.200000112.1E77 A78 G83E77-A81 VanDerWaalsContact O-CB 3.25Å; E77-A81 WeakPolarHBondContact O-CB 3.41Å; E77-A81 PolarHBondContact O-N 2.69Å; A78-A81 PolarHBondContact O-N 3.13Å; A81-G83 PolarHBondContact O-N 3.44Å
82A98.1Very high98.1Very high21 Ų2146.8 Ų46.817%0.17426%0.262CS..THydrogen-bonded Turntrans-72.7-11.8172.400000114V35 C43 A78 V79 K80 I84V35-A82 HydrophobicContact CB-CB 4.01Å; V35-A82 HydrophobicContact CG1-CB 4.01Å; V35-A82 HydrophobicContact CG2-CB 3.94Å; C43-A82 HydrophobicContact CB-CB 4.09Å; C43-A82 WeakPolarHBondContact O-CA 3.17Å; A78-A82 PolarHBondContact O-N 3.34Å; V79-A82 PolarHBondContact O-N 2.72Å; K80-A82 VanDerWaalsContact C-N 3.25Å; K80-A82 PolarHBondContact O-N 3.11Å; A82-I84 VanDerWaalsContact C-N 3.3Å; A82-I84 HydrophobicContact CB-CD1 4.28Å; A82-I84 HydrophobicContact CB-CG1 4.02Å; A82-I84 HydrophobicContact CB-CG2 4.45Å; A82-I84 PolarHBondContact O-N 2.91Å
83G97.8Very high98.1Very high69 Ų6945.9 Ų45.971%0.71126%0.256SS*.THydrogen-bonded Turntrans69.525-178.500000114V79 K80 A81V79-G83 PolarHBondContact O-N 2.87Å; K80-G83 PolarHBondContact O-N 3.19Å; A81-G83 PolarHBondContact O-N 3.44Å
84I97.6Very high98.1Very high20 Ų2044.8 Ų44.810%0.10325%0.247CC..  trans-117.3170.8-177.769.6174.4000111.6F20 V35 V79 A82 I89F20-I84 HydrophobicContact CB-CD1 3.9Å; F20-I84 HydrophobicContact CD1-CD1 4.16Å; F20-I84 HydrophobicContact CD2-CD1 3.41Å; F20-I84 VanDerWaalsContact CD2-CD1 3.41Å; F20-I84 HydrophobicContact CD2-CG2 4.29Å; F20-I84 HydrophobicContact CE2-CB 4.37Å; F20-I84 HydrophobicContact CE2-CD1 3.92Å; F20-I84 HydrophobicContact CE2-CG2 3.68Å; F20-I84 HydrophobicContact CG-CD1 3.54Å; F20-I84 HydrophobicContact CZ-CD1 4.47Å; F20-I84 HydrophobicContact CZ-CG2 3.81Å; V35-I84 HydrophobicContact CG1-CD1 3.65Å; V79-I84 HydrophobicContact CG1-CG1 3.93Å; V79-I84 PolarHBondContact O-N 2.97Å; A82-I84 VanDerWaalsContact C-N 3.3Å; A82-I84 HydrophobicContact CB-CD1 4.28Å; A82-I84 HydrophobicContact CB-CG1 4.02Å; A82-I84 HydrophobicContact CB-CG2 4.45Å; A82-I84 PolarHBondContact O-N 2.91Å; I84-I89 HydrophobicContact CD1-CD1 3.76Å
85Q96.8Very high98.1Very high129 Ų12944.8 Ų44.860%0.60325%0.247SC*.  trans-97.4152.4175.3-61.2-59.8-38.400111.8N87 Q88Q85-N87 VanDerWaalsContact CB-OD1 3.24Å; Q85-N87 WeakPolarHBondContact CB-OD1 3.42Å; Q85-N87 PolarHBondContact O-N 3.21Å; Q85-Q88 HydrophobicContact CB-CG 4.46Å; Q85-Q88 WeakPolarHBondContact O-CB 3.45Å; Q85-Q88 PolarHBondContact O-N 2.91Å
86M97.3Very high98.1Very high27 Ų2744.7 Ų44.713%0.13325%0.247CC..G310 helixtrans-57.8-31.8179.1-74.2-66.917600113.3I75 K76 V79 Q88 I89 F263 V265 I267I75-M86 HydrophobicContact CG2-CE 3.98Å; I75-M86 HydrophobicContact CG2-SD 4.46Å; K76-M86 HydrophobicContact CB-CE 4.34Å; K76-M86 HydrophobicContact CG-CE 3.95Å; V79-M86 HydrophobicContact CB-CE 3.69Å; V79-M86 HydrophobicContact CB-SD 4.1Å; V79-M86 HydrophobicContact CG1-CE 3.92Å; V79-M86 HydrophobicContact CG1-CG 4.32Å; V79-M86 HydrophobicContact CG1-SD 3.89Å; V79-M86 HydrophobicContact CG2-CE 3.75Å; V79-M86 HydrophobicContact CG2-SD 3.77Å; M86-Q88 PolarHBondContact O-N 2.99Å; M86-I89 WeakPolarHBondContact O-CB 3.43Å; M86-I89 WeakPolarHBondContact O-CG1 3.01Å; M86-I89 PolarHBondContact O-N 3.12Å; M86-I89 VanDerWaalsContact O-N 3.12Å; M86-F263 HydrophobicContact CE-CD1 4.14Å; M86-F263 HydrophobicContact CG-CB 4.35Å; M86-F263 HydrophobicContact SD-CB 4.5Å; M86-V265 HydrophobicContact CB-CG2 3.55Å; M86-I267 HydrophobicContact SD-CD1 4Å
87N96.4Very high97.9Very high118 Ų11840 Ų4063%0.63123%0.226SC*.G310 helixtrans-71-8178.767.7-5000114Q85 I89 V265Q85-N87 VanDerWaalsContact CB-OD1 3.24Å; Q85-N87 WeakPolarHBondContact CB-OD1 3.42Å; Q85-N87 PolarHBondContact O-N 3.21Å; N87-I89 VanDerWaalsContact C-N 3.34Å; N87-V265 HydrophobicContact CB-CG1 4.22Å
88Q97.6Very high97.7Very high64 Ų6437.4 Ų37.430%0.29921%0.213SC..G310 helixtrans-87.9-7.1173.3-59.3178.2-10600112.1G19 F20 Q85 M86 V90G19-Q88 CarbonylContact C-O 3.41Å; G19-Q88 WeakPolarHBondContact CA-O 3.03Å; F20-Q88 HydrophobicContact CD2-CB 4.12Å; F20-Q88 PolarHBondContact N-O 3.5Å; Q85-Q88 HydrophobicContact CB-CG 4.46Å; Q85-Q88 WeakPolarHBondContact O-CB 3.45Å; Q85-Q88 PolarHBondContact O-N 2.91Å; M86-Q88 PolarHBondContact O-N 2.99Å; Q88-V90 PolarHBondContact O-N 3.15Å
89I98.2Very high97.5Very high9 Ų937.5 Ų37.55%0.04621%0.214CC..EExtended strand (participates in β ladder)trans-78.7118175.5-54.4-51.4000109.4F20 L22 V35 V79 I84 M86 N87 I267F20-I89 HydrophobicContact CB-CD1 3.93Å; F20-I89 CarbonylContact O-C 3.56Å; F20-I89 WeakPolarHBondContact O-CA 3.44Å; L22-I89 HydrophobicContact CB-CG2 4.41Å; L22-I89 HydrophobicContact CD1-CD1 4.4Å; L22-I89 HydrophobicContact CD1-CG1 4.1Å; L22-I89 HydrophobicContact CD1-CG2 3.81Å; L22-I89 HydrophobicContact CD2-CD1 3.99Å; L22-I89 HydrophobicContact CG-CD1 3.97Å; L22-I89 HydrophobicContact CG-CG1 4.15Å; L22-I89 HydrophobicContact CG-CG2 3.67Å; V35-I89 HydrophobicContact CG1-CD1 4.48Å; V79-I89 HydrophobicContact CG2-CD1 4.19Å; V79-I89 HydrophobicContact CG2-CG1 4.36Å; I84-I89 HydrophobicContact CD1-CD1 3.76Å; M86-I89 WeakPolarHBondContact O-CB 3.43Å; M86-I89 WeakPolarHBondContact O-CG1 3.01Å; M86-I89 PolarHBondContact O-N 3.12Å; M86-I89 VanDerWaalsContact O-N 3.12Å; N87-I89 VanDerWaalsContact C-N 3.34Å; I89-I267 HydrophobicContact CB-CD1 4.46Å; I89-I267 HydrophobicContact CB-CG2 4.29Å; I89-I267 HydrophobicContact CG2-CG2 3.68Å
90V97.9Very high97.5Very high56 Ų5637.3 Ų37.334%0.33921%0.212SC..EExtended strand (participates in β ladder)trans-93.6-13.7-178-59.60000113.2F20 V21 Q88 V480 F482F20-V90 WeakPolarHBondContact O-CG2 3.36Å; F20-V90 PolarHBondContact O-N 3.22Å; V21-V90 HydrophobicContact CG2-CG2 3.78Å; Q88-V90 PolarHBondContact O-N 3.15Å; V90-V480 HydrophobicContact CG2-CG2 4.1Å; V90-F482 HydrophobicContact CG2-CB 4.27Å; V90-F482 HydrophobicContact CG2-CD2 3.76Å; V90-F482 HydrophobicContact CG2-CE2 4.44Å; V90-F482 HydrophobicContact CG2-CG 4.22Å
91G98Very high97.5Very high0 Ų029 Ų290%018%0.176CC..EExtended strand (participates in β ladder)trans-171.2150.2176.600000113.2L22L22-G91 PolarHBondContact N-O 2.92Å
92L98.7Very high97.5Very high1 Ų126 Ų261%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-117.9124.4175.2173.461.5000109.7L22 L24 I94 L204 V258 I267 P268 I269 V270L22-L92 HydrophobicContact CB-CD1 3.64Å; L22-L92 HydrophobicContact CD1-CD1 4.25Å; L24-L92 HydrophobicContact CB-CD1 4.32Å; L92-I94 HydrophobicContact CD1-CG1 4.25Å; L92-I94 HydrophobicContact CD2-CD1 4.09Å; L92-I94 HydrophobicContact CD2-CG1 4.17Å; L92-I94 HydrophobicContact CG-CD1 4.34Å; L92-I94 HydrophobicContact CG-CG1 3.92Å; L92-L204 HydrophobicContact CD2-CD1 4.28Å; L92-V258 HydrophobicContact CD2-CG2 4.14Å; L92-I267 HydrophobicContact CB-CG2 4.03Å; L92-P268 PolarHBondContact N-O 3.35Å; L92-I269 HydrophobicContact CD2-CG1 4.44Å; L92-V270 PolarHBondContact O-N 3.24Å
93G98.8Very high97.5Very high0 Ų025 Ų250%014%0.143CC..EExtended strand (participates in β ladder)trans-107.8134.4166.100000110.9L22 L24L22-G93 PolarHBondContact O-N 3.09Å; L24-G93 PolarHBondContact N-O 3.25Å
94I98.8Very high97.5Very high0 Ų021.7 Ų21.70%011%0.109CC..EExtended strand (participates in β ladder)trans-118.1117.4-177.4-54.7173.3000109.2L24 F71 L92 T96 L200 L204 I269 A271 L272 V273L24-I94 HydrophobicContact CD2-CG2 4.39Å; F71-I94 HydrophobicContact CZ-CD1 4.28Å; L92-I94 HydrophobicContact CD1-CG1 4.25Å; L92-I94 HydrophobicContact CD2-CD1 4.09Å; L92-I94 HydrophobicContact CD2-CG1 4.17Å; L92-I94 HydrophobicContact CG-CD1 4.34Å; L92-I94 HydrophobicContact CG-CG1 3.92Å; I94-T96 HydrophobicContact CG2-CG2 3.85Å; I94-L200 HydrophobicContact CG2-CD1 4.4Å; I94-L204 HydrophobicContact CD1-CD1 3.6Å; I94-I269 HydrophobicContact CD1-CG2 4.11Å; I94-A271 PolarHBondContact N-O 2.73Å; I94-L272 HydrophobicContact CB-CD2 3.81Å; I94-L272 HydrophobicContact CD1-CD2 4.08Å; I94-L272 HydrophobicContact CG1-CD2 4.34Å; I94-L272 HydrophobicContact CG2-CD2 4.45Å; I94-L272 WeakPolarHBondContact O-CA 3.45Å; I94-V273 PolarHBondContact O-N 3.19Å
95S98.6Very high97.5Very high0 Ų022.1 Ų22.10%011%0.112CC..EExtended strand (participates in β ladder)trans-98.3139.4167.6168.70000109.7L24 D25 V26 V273 D275L24-S95 WeakPolarHBondContact O-CA 3.31Å; L24-S95 WeakPolarHBondContact O-CB 3.22Å; L24-S95 PolarHBondContact O-N 3.18Å; D25-S95 CarbonylContact C-O 3.6Å; D25-S95 WeakPolarHBondContact CA-O 3.43Å; D25-S95 WeakPolarHBondContact OD1-CB 3.25Å; D25-S95 PolarHBondContact OD1-OG 2.83Å; V26-S95 PolarHBondContact N-O 2.89Å; S95-V273 VanDerWaalsContact CA-O 3.22Å; S95-V273 WeakPolarHBondContact CA-O 3.28Å; S95-D275 VanDerWaalsContact OG-CA 3.26Å; S95-D275 WeakPolarHBondContact OG-CA 3.45Å
96T98Very high97.4Very high0 Ų021.9 Ų21.90%011%0.109CC..EExtended strand (participates in β ladder)trans-138.3149.7177.863.40000113.5V26 I94 R98 V196 D197 L200 N216 V273 D275V26-T96 HydrophobicContact CB-CG2 4.13Å; V26-T96 HydrophobicContact CG2-CG2 4.16Å; I94-T96 HydrophobicContact CG2-CG2 3.85Å; T96-R98 PolarHBondContact O-N 3.06Å; T96-V196 HydrophobicContact CG2-CB 4.12Å; T96-V196 HydrophobicContact CG2-CG1 3.87Å; T96-D197 HydrophobicContact CG2-CB 4Å; T96-L200 HydrophobicContact CG2-CD1 4.13Å; T96-N216 PolarHBondContact OG1-OD1 3.13Å; T96-V273 PolarHBondContact N-O 3.18Å; T96-V273 VanDerWaalsContact N-O 3.13Å; T96-D275 WeakPolarHBondContact O-CB 3.32Å; T96-D275 PolarHBondContact O-N 3.18Å
97Q94.6Very high97.2Very high1 Ų128.8 Ų28.81%0.00514%0.138CC..  trans-54.1136.5165.563.7175.6-39.200110.7V26 S28 I62 T100 V196V26-Q97 WeakPolarHBondContact O-CB 3.42Å; V26-Q97 WeakPolarHBondContact O-CG 3.42Å; V26-Q97 PolarHBondContact O-N 3.04Å; S28-Q97 VanDerWaalsContact CB-OE1 3.32Å; S28-Q97 PolarHBondContact OG-OE1 2.87Å; I62-Q97 VanDerWaalsContact CD1-NE2 3.3Å; Q97-T100 PolarHBondContact OE1-OG1 3.07Å; Q97-V196 HydrophobicContact CG-CG2 4.27Å
98R94.3Very high97.1Very high28 Ų2827 Ų2711%0.10613%0.131CC..SBendtrans-83.8162.9-173.1-60.8166.7-56152.87.9111T96 T100 W118 T219 A274 D275 E333T96-R98 PolarHBondContact O-N 3.06Å; R98-T100 PolarHBondContact O-N 3Å; R98-W118 VanDerWaalsContact O-CB 3.31Å; R98-W118 WeakPolarHBondContact O-CB 3.13Å; R98-T219 HydrophobicContact CB-CG2 3.99Å; R98-T219 HydrophobicContact CG-CG2 3.94Å; R98-A274 HydrophobicContact CG-CB 3.58Å; R98-D275 VanDerWaalsContact CD-OD1 3.28Å; R98-D275 WeakPolarHBondContact CD-OD1 3.48Å; R98-D275 WeakPolarHBondContact CG-OD1 3.35Å; R98-D275 IonicContact CZ-OD1 2.65Å; R98-D275 IonicContact NE-OD1 3.06Å; R98-D275 PolarHBondContact NE-OD1 2.71Å; R98-E333 IonicContact CZ-OE1 2.87Å; R98-E333 IonicContact CZ-OE2 2.91Å; R98-E333 VanDerWaalsContact CZ-OE2 3.22Å; R98-E333 VanDerWaalsContact NH1-CD 3.25Å; R98-E333 IonicContact NH1-OE1 3.39Å; R98-E333 PolarHBondContact NH1-OE1 2.81Å; R98-E333 VanDerWaalsContact NH1-OE1 3.14Å; R98-E333 IonicContact NH1-OE2 3.11Å; R98-E333 PolarHBondContact NH1-OE2 3.33Å; R98-E333 VanDerWaalsContact NH2-CD 3.34Å; R98-E333 IonicContact NH2-OE1 3.53Å; R98-E333 PolarHBondContact NH2-OE1 2.82Å; R98-E333 IonicContact NH2-OE2 2.64Å; R98-E333 PolarHBondContact NH2-OE2 2.98Å
99G94.4Very high97Very high2 Ų224.6 Ų24.62%0.02112%0.124CC..SBendtrans65.9-15.4172.700000116.6T168 R171G99-T168 PolarHBondContact O-OG1 3Å; G99-T168 VanDerWaalsContact O-OG1 3.06Å; G99-R171 PolarHBondContact O-NH1 2.8Å; G99-R171 VanDerWaalsContact O-NH1 3.1Å; G99-R171 PolarHBondContact O-NH2 2.84Å
100T98.1Very high96.9Very high0 Ų029.2 Ų29.20%015%0.149CC..  trans-76.6130.1174.5-60.50000109.5I62 Q97 R98 F115 I116 S117 W118 T195 V196I62-T100 HydrophobicContact CD1-CG2 4.48Å; Q97-T100 PolarHBondContact OE1-OG1 3.07Å; R98-T100 PolarHBondContact O-N 3Å; T100-F115 HydrophobicContact CG2-CB 3.86Å; T100-F115 HydrophobicContact CG2-CD1 3.88Å; T100-F115 HydrophobicContact CG2-CG 4.18Å; T100-I116 WeakPolarHBondContact CA-O 3.47Å; T100-S117 WeakPolarHBondContact OG1-CA 3.49Å; T100-W118 PolarHBondContact OG1-N 2.95Å; T100-W118 VanDerWaalsContact OG1-N 3.12Å; T100-T195 VanDerWaalsContact O-CA 3.3Å; T100-T195 WeakPolarHBondContact O-CA 3.43Å; T100-V196 HydrophobicContact CG2-CG2 3.68Å; T100-V196 PolarHBondContact O-N 3.12Å
101F98.6Very high96.9Very high0 Ų029 Ų290%014%0.144CC..EExtended strand (participates in β ladder)trans-142.4163.9-17279.5-81000113.3F115 I116 T168 R171 L172 I175 F193 G194F101-F115 WeakPolarHBondContact O-CA 3.28Å; F101-I116 HydrophobicContact CD1-CB 4.05Å; F101-I116 HydrophobicContact CE1-CB 3.54Å; F101-I116 HydrophobicContact CE1-CG1 4.04Å; F101-I116 HydrophobicContact CE1-CG2 3.93Å; F101-I116 HydrophobicContact CE2-CG1 4.47Å; F101-I116 HydrophobicContact CZ-CB 3.95Å; F101-I116 HydrophobicContact CZ-CG1 3.89Å; F101-I116 HydrophobicContact CZ-CG2 4.45Å; F101-I116 PolarHBondContact N-O 2.98Å; F101-I116 PolarHBondContact O-N 2.83Å; F101-T168 HydrophobicContact CB-CG2 3.77Å; F101-T168 HydrophobicContact CD1-CG2 3.45Å; F101-T168 VanDerWaalsContact CD1-CG2 3.45Å; F101-T168 HydrophobicContact CD2-CG2 4.14Å; F101-T168 HydrophobicContact CE1-CG2 4.03Å; F101-T168 HydrophobicContact CG-CG2 3.49Å; F101-T168 VanDerWaalsContact CG-CG2 3.49Å; F101-R171 HydrophobicContact CE1-CB 3.55Å; F101-R171 HydrophobicContact CZ-CB 4.01Å; F101-L172 HydrophobicContact CD2-CD1 4.46Å; F101-L172 HydrophobicContact CE2-CB 4.14Å; F101-L172 HydrophobicContact CE2-CD1 3.91Å; F101-L172 HydrophobicContact CZ-CB 4.24Å; F101-I175 HydrophobicContact CE2-CG1 4.12Å; F101-I175 HydrophobicContact CZ-CG1 3.87Å; F101-F193 HydrophobicContact CB-CE2 3.68Å; F101-F193 HydrophobicContact CB-CZ 4.21Å; F101-F193 AromaticContact CD2-CD2 3.92Å; F101-F193 HydrophobicContact CD2-CD2 3.92Å; F101-F193 AromaticContact CD2-CE2 3.54Å; F101-F193 HydrophobicContact CD2-CE2 3.54Å; F101-F193 HydrophobicContact CE2-CE2 4.44Å; F101-F193 AromaticContact CG-CE2 3.8Å; F101-F193 HydrophobicContact CG-CE2 3.8Å; F101-G194 VanDerWaalsContact CA-O 3.27Å; F101-G194 WeakPolarHBondContact CA-O 3.36Å; F101-G194 WeakPolarHBondContact CB-O 3.33Å
102I98.8Very high96.9Very high0 Ų031.1 Ų31.10%015%0.153CC..EExtended strand (participates in β ladder)trans-143.1160.5176.3-165.6163.3000110.3P64 W104 H111 H113 F115 G194 W199P64-I102 HydrophobicContact CB-CD1 3.63Å; P64-I102 HydrophobicContact CG-CD1 3.88Å; I102-W104 HydrophobicContact CG2-CE3 3.94Å; I102-W104 HydrophobicContact CG2-CZ3 3.97Å; I102-H111 HydrophobicContact CD1-CB 3.53Å; I102-H111 HydrophobicContact CG1-CB 4.03Å; I102-H113 WeakPolarHBondContact CD1-O 3.19Å; I102-H113 WeakPolarHBondContact CG1-O 3.49Å; I102-F115 HydrophobicContact CB-CD1 3.64Å; I102-F115 HydrophobicContact CB-CE1 3.59Å; I102-F115 HydrophobicContact CB-CG 4.27Å; I102-F115 HydrophobicContact CB-CZ 4.2Å; I102-F115 HydrophobicContact CD1-CD1 4.43Å; I102-F115 HydrophobicContact CD1-CD2 4.16Å; I102-F115 HydrophobicContact CD1-CE1 4.38Å; I102-F115 HydrophobicContact CD1-CE2 4.11Å; I102-F115 HydrophobicContact CD1-CG 4.32Å; I102-F115 HydrophobicContact CD1-CZ 4.22Å; I102-F115 HydrophobicContact CG2-CD1 4Å; I102-F115 HydrophobicContact CG2-CE1 3.38Å; I102-F115 HydrophobicContact CG2-CZ 3.81Å; I102-G194 PolarHBondContact N-O 2.89Å; I102-G194 PolarHBondContact O-N 2.78Å; I102-G194 VanDerWaalsContact O-N 3.1Å; I102-W199 HydrophobicContact CG2-CB 3.97Å; I102-W199 HydrophobicContact CG2-CD2 4.28Å; I102-W199 HydrophobicContact CG2-CE3 4.37Å; I102-W199 HydrophobicContact CG2-CG 4.16Å
103T98.7Very high96.9Very high0 Ų032.1 Ų32.10%016%0.158CC..EExtended strand (participates in β ladder)trans-123.1146.1166.462.80000110.4H111 F112 H113 L172 V182 C192 F193T103-H111 WeakPolarHBondContact O-CA 3.31Å; T103-F112 PolarHBondContact O-N 3.31Å; T103-H113 PolarHBondContact N-NE2 3.34Å; T103-H113 PolarHBondContact OG1-CD2 2.96Å; T103-H113 VanDerWaalsContact OG1-CD2 3.23Å; T103-H113 PolarHBondContact OG1-NE2 2.85Å; T103-L172 HydrophobicContact CG2-CD1 3.96Å; T103-V182 HydrophobicContact CG2-CG1 4.45Å; T103-C192 CarbonylContact C-O 3.19Å; T103-C192 WeakPolarHBondContact CA-O 3.43Å; T103-C192 WeakPolarHBondContact CB-O 3.47Å; T103-F193 HydrophobicContact CG2-CB 4.45Å; T103-F193 HydrophobicContact CG2-CD2 4.34Å
104W98.4Very high96.9Very high0 Ų034 Ų340%017%0.167CC..EExtended strand (participates in β ladder)trans-146.4159.4-179.168.699.2000112.5I102 K106 N110 H111 F112 C192 T198 W199 Y202 Y210I102-W104 HydrophobicContact CG2-CE3 3.94Å; I102-W104 HydrophobicContact CG2-CZ3 3.97Å; W104-K106 PolarHBondContact O-N 3.42Å; W104-N110 CarbonylContact C-O 3.6Å; W104-N110 WeakPolarHBondContact CA-O 3.33Å; W104-N110 WeakPolarHBondContact CB-O 3.33Å; W104-H111 HydrophobicContact CB-CB 4.41Å; W104-F112 WeakPolarHBondContact O-CE2 3.32Å; W104-C192 HydrophobicContact CD2-CB 3.61Å; W104-C192 HydrophobicContact CE3-CB 4.15Å; W104-C192 HydrophobicContact CG-CB 4.1Å; W104-C192 HydrophobicContact CH2-CB 4.04Å; W104-C192 HydrophobicContact CZ2-CB 3.49Å; W104-C192 VanDerWaalsContact CZ2-CB 3.49Å; W104-C192 HydrophobicContact CZ3-CB 4.35Å; W104-C192 PolarHBondContact N-O 3.45Å; W104-C192 PolarHBondContact O-N 3.42Å; W104-T198 HydrophobicContact CH2-CG2 3.96Å; W104-W199 HydrophobicContact CB-CZ3 3.85Å; W104-W199 AromaticContact CD2-CE3 3.76Å; W104-W199 HydrophobicContact CD2-CE3 3.76Å; W104-W199 AromaticContact CD2-CZ3 3.79Å; W104-W199 HydrophobicContact CD2-CZ3 3.79Å; W104-W199 AromaticContact CE3-CE3 3.79Å; W104-W199 HydrophobicContact CE3-CE3 3.79Å; W104-W199 HydrophobicContact CE3-CZ3 4.2Å; W104-W199 HydrophobicContact CG-CE3 4.13Å; W104-W199 AromaticContact CG-CZ3 3.65Å; W104-W199 HydrophobicContact CG-CZ3 3.65Å; W104-W199 HydrophobicContact CZ3-CE3 4.19Å; W104-Y202 AromaticContact CD1-CE1 3.95Å; W104-Y202 AromaticContact CD1-CZ 3.99Å; W104-Y202 HydrophobicContact CZ2-CD1 4.48Å; W104-Y202 HydrophobicContact CZ2-CD2 4.06Å; W104-Y202 AromaticContact CZ2-CG 3.98Å; W104-Y202 HydrophobicContact CZ2-CG 3.98Å; W104-Y202 AromaticContact NE1-CD1 3.76Å; W104-Y202 AromaticContact NE1-CD2 3.76Å; W104-Y202 AromaticContact NE1-CE1 3.55Å; W104-Y202 AromaticContact NE1-CE2 3.55Å; W104-Y202 AromaticContact NE1-CG 3.88Å; W104-Y202 AromaticContact NE1-CZ 3.46Å; W104-Y210 HydrophobicContact CH2-CD2 4.12Å; W104-Y210 AromaticContact CH2-CE2 3.68Å; W104-Y210 HydrophobicContact CH2-CE2 3.68Å; W104-Y210 AromaticContact CZ2-CD2 3.79Å; W104-Y210 HydrophobicContact CZ2-CD2 3.79Å; W104-Y210 AromaticContact CZ2-CE2 3.68Å; W104-Y210 HydrophobicContact CZ2-CE2 3.68Å
105N97.3Very high96.9Very high29 Ų2934 Ų3416%0.15517%0.167CC..EExtended strand (participates in β ladder)trans-74.9122.3176.8-173.7-56000109.9K107 T108 G109 N110 F112 N190N105-K107 VanDerWaalsContact C-N 3.29Å; N105-K107 PolarHBondContact O-N 2.91Å; N105-K107 PolarHBondContact OD1-N 3.48Å; N105-T108 WeakPolarHBondContact CB-OG1 3.46Å; N105-T108 PolarHBondContact OD1-N 3.41Å; N105-G109 WeakPolarHBondContact O-CA 3.29Å; N105-G109 PolarHBondContact O-N 2.95Å; N105-N110 PolarHBondContact N-O 3Å; N105-F112 HydrophobicContact CB-CE1 4.22Å; N105-F112 HydrophobicContact CB-CE2 4.36Å; N105-F112 HydrophobicContact CB-CZ 3.72Å; N105-N190 WeakPolarHBondContact CA-O 3.48Å; N105-N190 VanDerWaalsContact CG-ND2 3.34Å; N105-N190 PolarHBondContact ND2-ND2 3.23Å; N105-N190 VanDerWaalsContact ND2-ND2 3.12Å; N105-N190 PolarHBondContact OD1-ND2 3.23Å; N105-N190 PolarHBondContact OD1-OD1 3.43Å
106K93.9Very high96.9Very high125 Ų12534 Ų3454%0.54317%0.167SC..THydrogen-bonded Turntrans-60.6-36.1-175.7-174.1179.1-178.1179.70113.2W104 N190 Y202W104-K106 PolarHBondContact O-N 3.42Å; K106-N190 PolarHBondContact N-O 3.42Å; K106-Y202 PolarHBondContact O-OH 3.28Å
107K93.2Very high96.8Very high171 Ų17134 Ų3474%0.74317%0.167SC*.THydrogen-bonded Turntrans-81.1-42-177.2-72.8168.9-171.7173.10112.9N105 N190N105-K107 VanDerWaalsContact C-N 3.29Å; N105-K107 PolarHBondContact O-N 2.91Å; N105-K107 PolarHBondContact OD1-N 3.48Å; K107-N190 WeakPolarHBondContact CD-OD1 3.3Å; K107-N190 VanDerWaalsContact CG-OD1 3.25Å; K107-N190 WeakPolarHBondContact CG-OD1 3.32Å; K107-N190 PolarHBondContact N-OD1 2.64Å
108T94.9Very high96.6Very high81 Ų8136.4 Ų36.450%0.49718%0.177SC..THydrogen-bonded Turntrans-94.2-20.9-174.7680000113.1N105 N110N105-T108 WeakPolarHBondContact CB-OG1 3.46Å; N105-T108 PolarHBondContact OD1-N 3.41Å; T108-N110 PolarHBondContact O-N 3.48Å; T108-N110 WeakPolarHBondContact OG1-CB 3.45Å; T108-N110 PolarHBondContact OG1-N 3.4Å
109G94.1Very high96.3Very high13 Ų1337.6 Ų37.613%0.13418%0.183CC..  trans74.42.1-172.600000113.9N105 W199N105-G109 WeakPolarHBondContact O-CA 3.29Å; N105-G109 PolarHBondContact O-N 2.95Å; G109-W199 WeakPolarHBondContact O-CH2 3.23Å
110N96.6Very high96.1Very high107 Ų10737.5 Ų37.557%0.57218%0.182SC*.  trans-78.3129.7179.9-64.8-11.7000110.2W104 N105 T108W104-N110 CarbonylContact C-O 3.6Å; W104-N110 WeakPolarHBondContact CA-O 3.33Å; W104-N110 WeakPolarHBondContact CB-O 3.33Å; N105-N110 PolarHBondContact N-O 3Å; T108-N110 PolarHBondContact O-N 3.48Å; T108-N110 WeakPolarHBondContact OG1-CB 3.45Å; T108-N110 PolarHBondContact OG1-N 3.4Å
111H98.1Very high95.6Very high52 Ų5241.4 Ų41.424%0.24120%0.203CC..BIsolated β-bridgetrans-67.6150.8170.757.178.2000111.1P64 D65 I102 T103 W104 W199P64-H111 HydrophobicContact CG-CB 4.42Å; P64-H111 WeakPolarHBondContact CG-CD2 3.34Å; P64-H111 VanDerWaalsContact CG-NE2 3.28Å; P64-H111 WeakPolarHBondContact CG-NE2 3.41Å; D65-H111 IonicContact OD1-NE2 3.92Å; D65-H111 IonicContact OD2-CD2 3.25Å; D65-H111 IonicContact OD2-CE1 3.35Å; D65-H111 IonicContact OD2-NE2 2.89Å; D65-H111 PolarHBondContact OD2-NE2 3.47Å; I102-H111 HydrophobicContact CD1-CB 3.53Å; I102-H111 HydrophobicContact CG1-CB 4.03Å; T103-H111 WeakPolarHBondContact O-CA 3.31Å; W104-H111 HydrophobicContact CB-CB 4.41Å; H111-W199 HydrophobicContact CB-CH2 4.43Å
112F98.4Very high95.3Very high43 Ų4342.6 Ų42.619%0.18921%0.208CC..SBendtrans-89-23.5177.2-64.9-69.4000112.6T103 W104 N105 E181 V182 A185 C191T103-F112 PolarHBondContact O-N 3.31Å; W104-F112 WeakPolarHBondContact O-CE2 3.32Å; N105-F112 HydrophobicContact CB-CE1 4.22Å; N105-F112 HydrophobicContact CB-CE2 4.36Å; N105-F112 HydrophobicContact CB-CZ 3.72Å; F112-E181 HydrophobicContact CB-CG 4.48Å; F112-E181 HydrophobicContact CD1-CB 4.32Å; F112-E181 HydrophobicContact CD1-CG 3.97Å; F112-V182 HydrophobicContact CB-CG2 3.57Å; F112-V182 HydrophobicContact CD1-CG2 4.48Å; F112-V182 HydrophobicContact CD2-CG2 3.98Å; F112-V182 HydrophobicContact CG-CG2 3.79Å; F112-A185 HydrophobicContact CE1-CB 4.06Å; F112-A185 HydrophobicContact CE2-CB 3.95Å; F112-A185 HydrophobicContact CZ-CB 3.34Å; F112-C191 HydrophobicContact CE2-CB 4.4Å
113H98.3Very high95.1Very high23 Ų2342.6 Ų42.611%0.10621%0.208CC..SBendtrans-158.4166.7-175.25985000109.9I102 T103 L179I102-H113 WeakPolarHBondContact CD1-O 3.19Å; I102-H113 WeakPolarHBondContact CG1-O 3.49Å; T103-H113 PolarHBondContact N-NE2 3.34Å; T103-H113 PolarHBondContact OG1-CD2 2.96Å; T103-H113 VanDerWaalsContact OG1-CD2 3.23Å; T103-H113 PolarHBondContact OG1-NE2 2.85Å; H113-L179 HydrophobicContact CB-CD1 3.87Å
114N98.6Very high94.6Very high38 Ų3844.2 Ų44.220%0.20322%0.22CC..  trans-58.9160.2170.7-69.8-27.4000111.7E61 I62 I116E61-N114 HydrophobicContact CB-CB 3.87Å; E61-N114 HydrophobicContact CG-CB 4.32Å; E61-N114 WeakPolarHBondContact OE2-CB 3.44Å; E61-N114 PolarHBondContact OE2-ND2 3.3Å; I62-N114 WeakPolarHBondContact O-CB 3.31Å; N114-I116 WeakPolarHBondContact O-CD1 3.31Å; N114-I116 PolarHBondContact O-N 3.45Å
115F98.7Very high94.2Very high0 Ų049 Ų490%024%0.243CC..EExtended strand (participates in β ladder)trans-56.7132.9167.3-81.1-78.1000110.8E61 I62 P64 L67 T100 F101 I102 V196 W199E61-F115 CarbonylContact C-O 3.57Å; E61-F115 WeakPolarHBondContact CA-O 3.48Å; I62-F115 HydrophobicContact CB-CB 4Å; I62-F115 PolarHBondContact N-O 3.46Å; I62-F115 WeakPolarHBondContact O-CB 3.28Å; I62-F115 PolarHBondContact O-N 2.85Å; P64-F115 HydrophobicContact CB-CD2 3.75Å; P64-F115 HydrophobicContact CB-CE2 3.58Å; L67-F115 HydrophobicContact CD2-CD2 4.08Å; L67-F115 HydrophobicContact CD2-CE2 3.69Å; L67-F115 HydrophobicContact CD2-CZ 4.31Å; T100-F115 HydrophobicContact CG2-CB 3.86Å; T100-F115 HydrophobicContact CG2-CD1 3.88Å; T100-F115 HydrophobicContact CG2-CG 4.18Å; F101-F115 WeakPolarHBondContact O-CA 3.28Å; I102-F115 HydrophobicContact CB-CD1 3.64Å; I102-F115 HydrophobicContact CB-CE1 3.59Å; I102-F115 HydrophobicContact CB-CG 4.27Å; I102-F115 HydrophobicContact CB-CZ 4.2Å; I102-F115 HydrophobicContact CD1-CD1 4.43Å; I102-F115 HydrophobicContact CD1-CD2 4.16Å; I102-F115 HydrophobicContact CD1-CE1 4.38Å; I102-F115 HydrophobicContact CD1-CE2 4.11Å; I102-F115 HydrophobicContact CD1-CG 4.32Å; I102-F115 HydrophobicContact CD1-CZ 4.22Å; I102-F115 HydrophobicContact CG2-CD1 4Å; I102-F115 HydrophobicContact CG2-CE1 3.38Å; I102-F115 HydrophobicContact CG2-CZ 3.81Å; F115-V196 HydrophobicContact CD1-CG2 4.13Å; F115-V196 HydrophobicContact CE1-CB 4.47Å; F115-V196 HydrophobicContact CE1-CG2 3.9Å; F115-V196 HydrophobicContact CZ-CG2 4.49Å; F115-W199 HydrophobicContact CE1-CB 4.3Å; F115-W199 HydrophobicContact CE1-CG 4.47Å; F115-W199 AromaticContact CE2-CD1 3.85Å; F115-W199 HydrophobicContact CE2-CG 4.45Å; F115-W199 HydrophobicContact CZ-CB 3.89Å; F115-W199 AromaticContact CZ-CD1 3.36Å; F115-W199 AromaticContact CZ-CG 3.66Å; F115-W199 HydrophobicContact CZ-CG 3.66Å; F115-W199 AromaticContact CZ-NE1 3.97Å
116I98.4Very high94Very high0 Ų049.1 Ų49.10%024%0.244CC..EExtended strand (participates in β ladder)trans-92.3108.5172-49.5-49.5000107.7E61 T100 F101 N114 D120 R171 I175E61-I116 HydrophobicContact CG-CD1 4.11Å; T100-I116 WeakPolarHBondContact CA-O 3.47Å; F101-I116 HydrophobicContact CD1-CB 4.05Å; F101-I116 HydrophobicContact CE1-CB 3.54Å; F101-I116 HydrophobicContact CE1-CG1 4.04Å; F101-I116 HydrophobicContact CE1-CG2 3.93Å; F101-I116 HydrophobicContact CE2-CG1 4.47Å; F101-I116 HydrophobicContact CZ-CB 3.95Å; F101-I116 HydrophobicContact CZ-CG1 3.89Å; F101-I116 HydrophobicContact CZ-CG2 4.45Å; F101-I116 PolarHBondContact N-O 2.98Å; F101-I116 PolarHBondContact O-N 2.83Å; N114-I116 WeakPolarHBondContact O-CD1 3.31Å; N114-I116 PolarHBondContact O-N 3.45Å; I116-D120 HydrophobicContact CG2-CB 3.8Å; I116-R171 PolarHBondContact O-NH1 2.92Å; I116-R171 VanDerWaalsContact O-NH1 3.08Å; I116-I175 HydrophobicContact CD1-CD1 4.25Å; I116-I175 HydrophobicContact CG1-CD1 4.1Å; I116-I175 HydrophobicContact CG1-CG1 4.34Å
117S95.8Very high94Very high0 Ų043.8 Ų43.80%022%0.221CC..  trans-65.2151.6-175176.10000112.1V60 T100 Q119 D120 R171V60-S117 WeakPolarHBondContact O-CB 3.28Å; V60-S117 PolarHBondContact O-N 2.96Å; T100-S117 WeakPolarHBondContact OG1-CA 3.49Å; S117-Q119 PolarHBondContact O-N 3.31Å; S117-Q119 VanDerWaalsContact O-N 3.13Å; S117-Q119 PolarHBondContact OG-N 3.19Å; S117-D120 WeakPolarHBondContact O-CB 3.3Å; S117-D120 PolarHBondContact O-N 3.02Å; S117-R171 PolarHBondContact O-NH1 3.14Å
118W91.7Very high93.8Very high52 Ų5239.4 Ų39.420%0.19720%0.202CC..THydrogen-bonded Turntrans-58.7-19.7172.370.1-89.4000114.2S28 R98 T100 D120 Q166S28-W118 PolarHBondContact OG-NE1 3.01Å; R98-W118 VanDerWaalsContact O-CB 3.31Å; R98-W118 WeakPolarHBondContact O-CB 3.13Å; T100-W118 PolarHBondContact OG1-N 2.95Å; T100-W118 VanDerWaalsContact OG1-N 3.12Å; W118-D120 VanDerWaalsContact C-N 3.3Å; W118-Q166 HydrophobicContact CE3-CG 4.46Å
119Q87.4Confident93.8Very high53 Ų5339.2 Ų39.225%0.24820%0.204CC..THydrogen-bonded Turntrans-81.2-11.7176.4-57.1-178.8-62.700112.8V60 S117V60-Q119 HydrophobicContact CB-CB 4.26Å; V60-Q119 HydrophobicContact CG1-CB 4.39Å; V60-Q119 HydrophobicContact CG2-CB 4.03Å; S117-Q119 PolarHBondContact O-N 3.31Å; S117-Q119 VanDerWaalsContact O-N 3.13Å; S117-Q119 PolarHBondContact OG-N 3.19Å
120D90.6Very high93.9Very high0 Ų040.9 Ų40.90%021%0.207CC..  trans-69.3131.5-173.7-170.4-74.3000112.2W59 V60 I116 S117 W118 R122W59-D120 VanDerWaalsContact CA-OD2 3.23Å; W59-D120 WeakPolarHBondContact CA-OD2 3.35Å; V60-D120 HydrophobicContact CB-CB 4.45Å; V60-D120 PolarHBondContact N-OD2 3.27Å; I116-D120 HydrophobicContact CG2-CB 3.8Å; S117-D120 WeakPolarHBondContact O-CB 3.3Å; S117-D120 PolarHBondContact O-N 3.02Å; W118-D120 VanDerWaalsContact C-N 3.3Å; D120-R122 VanDerWaalsContact CG-NE 3.28Å; D120-R122 WeakPolarHBondContact OD1-CB 3.43Å; D120-R122 WeakPolarHBondContact OD1-CG 3.46Å; D120-R122 IonicContact OD1-CZ 2.66Å; D120-R122 PolarHBondContact OD1-N 2.84Å; D120-R122 IonicContact OD1-NE 3.34Å; D120-R122 PolarHBondContact OD1-NE 3.27Å; D120-R122 IonicContact OD2-CZ 2.65Å; D120-R122 IonicContact OD2-NE 3.6Å; D120-R122 PolarHBondContact OD2-NE 2.86Å; D120-R122 VanDerWaalsContact OD2-NE 3.09Å; D120-R122 IonicContact OD2-NH2 3.66Å; D120-R122 PolarHBondContact OD2-NH2 3.34Å
121L87Confident93.7Very high83 Ų8337.8 Ų37.844%0.43519%0.19SC..  trans-105.79-176.6-59.2180000113.3G58 A123 A124 T165G58-L121 WeakPolarHBondContact O-CB 3.25Å; G58-L121 PolarHBondContact O-N 3.36Å; L121-A123 PolarHBondContact O-N 3.47Å; L121-A124 HydrophobicContact CB-CB 4.39Å; L121-A124 WeakPolarHBondContact O-CB 3.37Å; L121-A124 PolarHBondContact O-N 2.99Å; L121-T165 HydrophobicContact CD2-CG2 4.21Å
122R92.9Very high93.5Very high25 Ų2540.1 Ų40.19%0.09420%0.204CC..THydrogen-bonded Turntrans-58-28.2-177.380.4-173.861.7-160.6-5.5113.4W59 E61 D120 W174W59-R122 HydrophobicContact CD2-CB 4.02Å; W59-R122 VanDerWaalsContact CE3-NH2 3.32Å; W59-R122 HydrophobicContact CG-CB 4.21Å; W59-R122 HydrophobicContact CZ2-CB 3.96Å; E61-R122 VanDerWaalsContact CG-NH2 3.26Å; E61-R122 IonicContact OE1-CZ 2.68Å; E61-R122 IonicContact OE1-NH1 2.64Å; E61-R122 PolarHBondContact OE1-NH1 3.03Å; E61-R122 IonicContact OE1-NH2 3.88Å; E61-R122 PolarHBondContact OE1-NH2 3.3Å; D120-R122 VanDerWaalsContact CG-NE 3.28Å; D120-R122 WeakPolarHBondContact OD1-CB 3.43Å; D120-R122 WeakPolarHBondContact OD1-CG 3.46Å; D120-R122 IonicContact OD1-CZ 2.66Å; D120-R122 PolarHBondContact OD1-N 2.84Å; D120-R122 IonicContact OD1-NE 3.34Å; D120-R122 PolarHBondContact OD1-NE 3.27Å; D120-R122 IonicContact OD2-CZ 2.65Å; D120-R122 IonicContact OD2-NE 3.6Å; D120-R122 PolarHBondContact OD2-NE 2.86Å; D120-R122 VanDerWaalsContact OD2-NE 3.09Å; D120-R122 IonicContact OD2-NH2 3.66Å; D120-R122 PolarHBondContact OD2-NH2 3.34Å; R122-W174 HydrophobicContact CG-CD2 3.97Å; R122-W174 HydrophobicContact CG-CE3 4.26Å; R122-W174 HydrophobicContact CG-CG 4.16Å
123A94.1Very high93.4Very high0 Ų039.6 Ų39.60%021%0.206CC..THydrogen-bonded Turntrans-94.89.9177.600000113.9L121 E125 L126 V127 L170 R171 W174L121-A123 PolarHBondContact O-N 3.47Å; A123-E125 PolarHBondContact O-N 3.44Å; A123-L126 HydrophobicContact CB-CB 4.45Å; A123-L126 WeakPolarHBondContact O-CB 3.22Å; A123-L126 PolarHBondContact O-N 2.86Å; A123-L126 VanDerWaalsContact O-N 3.13Å; A123-V127 VanDerWaalsContact O-CG2 3.28Å; A123-V127 WeakPolarHBondContact O-CG2 3.27Å; A123-V127 PolarHBondContact O-N 2.86Å; A123-L170 HydrophobicContact CB-CB 4.48Å; A123-R171 HydrophobicContact CB-CB 4.38Å; A123-R171 HydrophobicContact CB-CG 3.68Å; A123-W174 HydrophobicContact CB-CB 4.37Å
124A88.3Confident93.2Very high33 Ų3344.6 Ų44.627%0.27323%0.233SC..Hα-helixtrans-59.7-45.6-17600000113L121 L126 V127 K128 T165L121-A124 HydrophobicContact CB-CB 4.39Å; L121-A124 WeakPolarHBondContact O-CB 3.37Å; L121-A124 PolarHBondContact O-N 2.99Å; A124-L126 VanDerWaalsContact C-N 3.32Å; A124-L126 PolarHBondContact O-N 3.34Å; A124-V127 PolarHBondContact O-N 2.83Å; A124-K128 WeakPolarHBondContact O-CB 3.48Å; A124-K128 PolarHBondContact O-N 3.34Å; A124-T165 HydrophobicContact CB-CG2 3.95Å
125E89.3Confident93.1Very high102 Ų10247 Ų4748%0.47725%0.245SC..Hα-helixtrans-67.8-33.5175.8-72.8-55.1123.400112A123 K128 S129A123-E125 PolarHBondContact O-N 3.44Å; E125-K128 PolarHBondContact O-N 3.07Å; E125-K128 IonicContact OE1-NZ 2.76Å; E125-K128 PolarHBondContact OE1-NZ 3.12Å; E125-K128 VanDerWaalsContact OE1-NZ 3.11Å; E125-K128 IonicContact OE2-NZ 3.86Å; E125-K128 PolarHBondContact OE2-NZ 3.03Å; E125-S129 VanDerWaalsContact O-CB 3.24Å; E125-S129 WeakPolarHBondContact O-CB 3.48Å; E125-S129 PolarHBondContact O-N 2.89Å
126L94Very high92.9Very high31 Ų3147 Ų4716%0.16225%0.245CC..Hα-helixtrans-65.4-44.9174.5-174.961.9000111.1A123 A124 K128 S129 W130 L170 V173 W174A123-L126 HydrophobicContact CB-CB 4.45Å; A123-L126 WeakPolarHBondContact O-CB 3.22Å; A123-L126 PolarHBondContact O-N 2.86Å; A123-L126 VanDerWaalsContact O-N 3.13Å; A124-L126 VanDerWaalsContact C-N 3.32Å; A124-L126 PolarHBondContact O-N 3.34Å; L126-K128 PolarHBondContact O-N 3.35Å; L126-S129 PolarHBondContact O-N 3.26Å; L126-W130 VanDerWaalsContact CD1-CD1 3.49Å; L126-W130 WeakPolarHBondContact O-CB 3.46Å; L126-W130 VanDerWaalsContact O-CD1 3.31Å; L126-W130 PolarHBondContact O-N 2.71Å; L126-L170 HydrophobicContact CD2-CB 4.23Å; L126-L170 HydrophobicContact CD2-CD2 4.4Å; L126-L170 WeakPolarHBondContact CD2-O 3.46Å; L126-L170 HydrophobicContact CG-CB 4.43Å; L126-L170 HydrophobicContact CG-CD2 4.42Å; L126-V173 HydrophobicContact CD2-CB 4.06Å; L126-V173 HydrophobicContact CD2-CG1 3.82Å; L126-W174 HydrophobicContact CD2-CB 4.33Å
127V93.4Very high92.7Very high12 Ų1252.4 Ų52.47%0.07327%0.269CS..Hα-helixtrans-56.8-49.3174170.30000111.3A123 A124 W130 N131 F163 T165 L170A123-V127 VanDerWaalsContact O-CG2 3.28Å; A123-V127 WeakPolarHBondContact O-CG2 3.27Å; A123-V127 PolarHBondContact O-N 2.86Å; A124-V127 PolarHBondContact O-N 2.83Å; V127-W130 PolarHBondContact O-N 3.07Å; V127-N131 WeakPolarHBondContact O-CB 3.41Å; V127-N131 PolarHBondContact O-N 3.17Å; V127-N131 PolarHBondContact O-ND2 2.73Å; V127-F163 HydrophobicContact CG1-CB 4.17Å; V127-F163 VanDerWaalsContact CG1-O 3.29Å; V127-F163 WeakPolarHBondContact CG1-O 3.38Å; V127-T165 HydrophobicContact CB-CG2 4.47Å; V127-T165 HydrophobicContact CG2-CG2 4.11Å; V127-L170 VanDerWaalsContact CA-CD1 3.43Å; V127-L170 HydrophobicContact CB-CD1 4.08Å; V127-L170 HydrophobicContact CG2-CB 3.95Å; V127-L170 HydrophobicContact CG2-CD1 3.68Å; V127-L170 HydrophobicContact CG2-CG 4.4Å
128K90.2Very high92.7Very high79 Ų7956.7 Ų56.734%0.34329%0.29SS..Hα-helixtrans-62.9-44.8178.5176.7178.3158.4-150.30112A124 E125 L126 N132A124-K128 WeakPolarHBondContact O-CB 3.48Å; A124-K128 PolarHBondContact O-N 3.34Å; E125-K128 PolarHBondContact O-N 3.07Å; E125-K128 IonicContact OE1-NZ 2.76Å; E125-K128 PolarHBondContact OE1-NZ 3.12Å; E125-K128 VanDerWaalsContact OE1-NZ 3.11Å; E125-K128 IonicContact OE2-NZ 3.86Å; E125-K128 PolarHBondContact OE2-NZ 3.03Å; L126-K128 PolarHBondContact O-N 3.35Å; K128-N132 WeakPolarHBondContact O-CB 3.4Å; K128-N132 PolarHBondContact O-N 3.22Å; K128-N132 VanDerWaalsContact O-N 3.15Å; K128-N132 PolarHBondContact O-ND2 3.28Å
129S94.3Very high92.8Very high78 Ų7855.8 Ų55.855%0.54529%0.288SS..Hα-helixtrans-61.7-48.2177.9-178.30000111.3E125 L126 N132 S133E125-S129 VanDerWaalsContact O-CB 3.24Å; E125-S129 WeakPolarHBondContact O-CB 3.48Å; E125-S129 PolarHBondContact O-N 2.89Å; L126-S129 PolarHBondContact O-N 3.26Å; S129-N132 PolarHBondContact O-N 2.78Å; S129-S133 PolarHBondContact O-N 3.49Å
130W95.4Very high93.2Very high48 Ų4854.9 Ų54.918%0.18228%0.284CS..Hα-helixtrans-60.4-51.4177.7-91.8100.3000112.5L126 V127 N132 S133 L135 M136 F163 L170 L237 I238L126-W130 VanDerWaalsContact CD1-CD1 3.49Å; L126-W130 WeakPolarHBondContact O-CB 3.46Å; L126-W130 VanDerWaalsContact O-CD1 3.31Å; L126-W130 PolarHBondContact O-N 2.71Å; V127-W130 PolarHBondContact O-N 3.07Å; W130-N132 PolarHBondContact O-N 3.07Å; W130-S133 VanDerWaalsContact O-CB 3.26Å; W130-S133 WeakPolarHBondContact O-CB 3.45Å; W130-S133 PolarHBondContact O-N 3.36Å; W130-S133 PolarHBondContact O-OG 3.04Å; W130-L135 HydrophobicContact CH2-CD2 4.22Å; W130-L135 HydrophobicContact CZ3-CD2 3.95Å; W130-M136 HydrophobicContact CE3-CG 4.2Å; W130-M136 WeakPolarHBondContact O-CB 3.26Å; W130-M136 WeakPolarHBondContact O-CG 3.43Å; W130-F163 HydrophobicContact CB-CD2 4.05Å; W130-F163 HydrophobicContact CB-CE2 4.36Å; W130-F163 HydrophobicContact CE3-CE2 4.38Å; W130-L170 HydrophobicContact CB-CD1 3.92Å; W130-L170 HydrophobicContact CG-CD1 4.07Å; W130-L170 HydrophobicContact CG-CD2 4.15Å; W130-L237 HydrophobicContact CH2-CG 4.49Å; W130-L237 WeakPolarHBondContact CH2-O 3.07Å; W130-L237 HydrophobicContact CZ3-CD1 4.49Å; W130-L237 HydrophobicContact CZ3-CD2 4.45Å; W130-L237 HydrophobicContact CZ3-CG 3.99Å; W130-I238 HydrophobicContact CD2-CG2 4.36Å; W130-I238 HydrophobicContact CE3-CG2 4.37Å; W130-I238 HydrophobicContact CH2-CG2 4.07Å; W130-I238 HydrophobicContact CZ2-CB 4.47Å; W130-I238 HydrophobicContact CZ2-CG2 4.04Å; W130-I238 HydrophobicContact CZ3-CG2 4.21Å
131N93.3Very high93.4Very high42 Ų4258.1 Ų58.123%0.22531%0.306CS..Hα-helixtrans-61.6-27.3-179.4-74.8-27.6000112.9V127 F163V127-N131 WeakPolarHBondContact O-CB 3.41Å; V127-N131 PolarHBondContact O-N 3.17Å; V127-N131 PolarHBondContact O-ND2 2.73Å; N131-F163 PolarHBondContact ND2-O 2.92Å; N131-F163 PolarHBondContact OD1-N 3.22Å
132N93.7Very high93.8Very high101 Ų10157 Ų5754%0.5431%0.305SS..Hα-helixtrans-92.3-7.5177-71-51.8000114.4K128 S129 W130 K137K128-N132 WeakPolarHBondContact O-CB 3.4Å; K128-N132 PolarHBondContact O-N 3.22Å; K128-N132 VanDerWaalsContact O-N 3.15Å; K128-N132 PolarHBondContact O-ND2 3.28Å; S129-N132 PolarHBondContact O-N 2.78Å; W130-N132 PolarHBondContact O-N 3.07Å; N132-K137 VanDerWaalsContact O-CE 3.31Å; N132-K137 WeakPolarHBondContact O-CE 3.27Å; N132-K137 PolarHBondContact O-NZ 3.47Å
133S95.4Very high93.9Very high31 Ų3156.2 Ų56.222%0.21730%0.303CS..SBendtrans-64152.5-175.172.80000112.8S129 W130 L135 M136 K137S129-S133 PolarHBondContact O-N 3.49Å; W130-S133 VanDerWaalsContact O-CB 3.26Å; W130-S133 WeakPolarHBondContact O-CB 3.45Å; W130-S133 PolarHBondContact O-N 3.36Å; W130-S133 PolarHBondContact O-OG 3.04Å; S133-L135 PolarHBondContact O-N 3.48Å; S133-M136 PolarHBondContact O-N 3.4Å; S133-M136 PolarHBondContact OG-N 2.94Å; S133-K137 WeakPolarHBondContact O-CG 3.25Å; S133-K137 PolarHBondContact O-N 3.02Å
134L95.8Very high94Very high128 Ų12863 Ų6367%0.6733%0.329SS*.Hα-helixtrans-60.3-37.6174-179.261.9000111.4M136 K137 I138L134-M136 PolarHBondContact O-N 2.93Å; L134-K137 PolarHBondContact O-N 3.43Å; L134-I138 HydrophobicContact CD1-CD1 4.2Å; L134-I138 HydrophobicContact CD1-CG1 4.34Å; L134-I138 HydrophobicContact CD2-CD1 4.46Å; L134-I138 HydrophobicContact CG-CD1 3.88Å; L134-I138 HydrophobicContact CG-CG1 4.44Å; L134-I138 WeakPolarHBondContact O-CG1 3.26Å; L134-I138 PolarHBondContact O-N 3.17Å
135L94.6Very high94.3Very high89 Ų8965.3 Ų65.347%0.46634%0.34SS..Hα-helixtrans-61.6-45.1-179.9-172.562.1000111.7W130 S133 I138 F139 L237W130-L135 HydrophobicContact CH2-CD2 4.22Å; W130-L135 HydrophobicContact CZ3-CD2 3.95Å; S133-L135 PolarHBondContact O-N 3.48Å; L135-I138 PolarHBondContact O-N 2.99Å; L135-F139 WeakPolarHBondContact O-CB 3.4Å; L135-F139 PolarHBondContact O-N 3.22Å; L135-L237 HydrophobicContact CD1-CD1 4.41Å; L135-L237 HydrophobicContact CD2-CD1 3.55Å; L135-L237 HydrophobicContact CD2-CG 4.47Å; L135-L237 HydrophobicContact CG-CD1 3.8Å
136M94.6Very high94.6Very high0 Ų064.7 Ų64.70%034%0.339CS..Hα-helixtrans-64.7-40.2175.1-77.4-57-63.800112.6W130 S133 L134 I138 F139 H140 F161 F163 L237W130-M136 HydrophobicContact CE3-CG 4.2Å; W130-M136 WeakPolarHBondContact O-CB 3.26Å; W130-M136 WeakPolarHBondContact O-CG 3.43Å; S133-M136 PolarHBondContact O-N 3.4Å; S133-M136 PolarHBondContact OG-N 2.94Å; L134-M136 PolarHBondContact O-N 2.93Å; M136-I138 VanDerWaalsContact C-N 3.33Å; M136-I138 PolarHBondContact O-N 2.85Å; M136-F139 HydrophobicContact CE-CD1 4.17Å; M136-F139 WeakPolarHBondContact O-CB 3.36Å; M136-F139 PolarHBondContact O-N 3.3Å; M136-F139 HydrophobicContact SD-CD1 4.47Å; M136-H140 WeakPolarHBondContact CE-NE2 3.48Å; M136-H140 PolarHBondContact O-N 2.87Å; M136-F161 HydrophobicContact CE-CD1 4.36Å; M136-F163 HydrophobicContact CE-CE2 4.3Å; M136-F163 HydrophobicContact SD-CE2 3.91Å; M136-L237 HydrophobicContact SD-CD2 3.62Å
137K95.1Very high94.7Very high114 Ų11465.1 Ų65.150%0.49634%0.34SS..Hα-helixtrans-61.5-41.6176-68.8171.9-176.4168.70112N132 S133 L134 S141N132-K137 VanDerWaalsContact O-CE 3.31Å; N132-K137 WeakPolarHBondContact O-CE 3.27Å; N132-K137 PolarHBondContact O-NZ 3.47Å; S133-K137 WeakPolarHBondContact O-CG 3.25Å; S133-K137 PolarHBondContact O-N 3.02Å; L134-K137 PolarHBondContact O-N 3.43Å; K137-S141 WeakPolarHBondContact O-CB 3.42Å; K137-S141 PolarHBondContact O-N 2.74Å; K137-S141 PolarHBondContact O-OG 2.92Å
138I95.6Very high94.7Very high89 Ų8970.4 Ų70.446%0.45636%0.363SS..Hα-helixtrans-65.7-44.2174.7-68.5169000110.2L134 L135 M136 S141 S142L134-I138 HydrophobicContact CD1-CD1 4.2Å; L134-I138 HydrophobicContact CD1-CG1 4.34Å; L134-I138 HydrophobicContact CD2-CD1 4.46Å; L134-I138 HydrophobicContact CG-CD1 3.88Å; L134-I138 HydrophobicContact CG-CG1 4.44Å; L134-I138 WeakPolarHBondContact O-CG1 3.26Å; L134-I138 PolarHBondContact O-N 3.17Å; L135-I138 PolarHBondContact O-N 2.99Å; M136-I138 VanDerWaalsContact C-N 3.33Å; M136-I138 PolarHBondContact O-N 2.85Å; I138-S141 PolarHBondContact O-N 2.94Å; I138-S142 VanDerWaalsContact O-CB 3.27Å; I138-S142 WeakPolarHBondContact O-CB 3.46Å; I138-S142 PolarHBondContact O-N 3.04Å; I138-S142 PolarHBondContact O-OG 3.09Å
139F94.6Very high95Very high34 Ų3474 Ų7415%0.14938%0.379CS..Hα-helixtrans-57.9-50.5177.9175.9-104.8000111.9L135 M136 S141 S142 C143 A158 I233 I234L135-F139 WeakPolarHBondContact O-CB 3.4Å; L135-F139 PolarHBondContact O-N 3.22Å; M136-F139 HydrophobicContact CE-CD1 4.17Å; M136-F139 WeakPolarHBondContact O-CB 3.36Å; M136-F139 PolarHBondContact O-N 3.3Å; M136-F139 HydrophobicContact SD-CD1 4.47Å; F139-S141 PolarHBondContact O-N 3.41Å; F139-S142 PolarHBondContact O-N 3.01Å; F139-C143 WeakPolarHBondContact O-CB 3.49Å; F139-C143 PolarHBondContact O-N 2.92Å; F139-C143 PolarHBondContact O-SG 2.86Å; F139-A158 HydrophobicContact CE1-CB 4.26Å; F139-A158 VanDerWaalsContact CE1-O 3.3Å; F139-A158 WeakPolarHBondContact CE1-O 3.19Å; F139-A158 HydrophobicContact CZ-CB 3.94Å; F139-I233 HydrophobicContact CE2-CG2 3.73Å; F139-I233 HydrophobicContact CZ-CG2 4.24Å; F139-I234 HydrophobicContact CZ-CD1 4.47Å
140H94.1Very high95.1Very high34 Ų3474.2 Ų74.216%0.15738%0.376CS..Hα-helixtrans-60.5-46.5177.3-67.5161000112.4M136 C143 R144 F161M136-H140 WeakPolarHBondContact CE-NE2 3.48Å; M136-H140 PolarHBondContact O-N 2.87Å; H140-C143 PolarHBondContact O-N 2.83Å; H140-R144 WeakPolarHBondContact O-CB 3.46Å; H140-R144 PolarHBondContact O-N 3.39Å; H140-F161 PolarHBondContact CE1-O 2.65Å; H140-F161 PolarHBondContact NE2-O 3.15Å
141S95.8Very high94.9Very high68 Ų6879.8 Ų79.848%0.47640%0.397SS..Hα-helixtrans-63.6-44.2-179.1-57.90000111.2K137 I138 F139 R144 V145K137-S141 WeakPolarHBondContact O-CB 3.42Å; K137-S141 PolarHBondContact O-N 2.74Å; K137-S141 PolarHBondContact O-OG 2.92Å; I138-S141 PolarHBondContact O-N 2.94Å; F139-S141 PolarHBondContact O-N 3.41Å; S141-R144 PolarHBondContact O-N 3.24Å; S141-V145 WeakPolarHBondContact O-CG2 3.42Å; S141-V145 PolarHBondContact O-N 3.46Å
142S95.6Very high95Very high58 Ų5879.6 Ų79.641%0.40640%0.4SS..Hα-helixtrans-62.7-46.5177.2-56.40000111.2I138 F139 R144 V145 L146I138-S142 VanDerWaalsContact O-CB 3.27Å; I138-S142 WeakPolarHBondContact O-CB 3.46Å; I138-S142 PolarHBondContact O-N 3.04Å; I138-S142 PolarHBondContact O-OG 3.09Å; F139-S142 PolarHBondContact O-N 3.01Å; S142-R144 VanDerWaalsContact C-N 3.31Å; S142-R144 PolarHBondContact O-N 3.03Å; S142-V145 PolarHBondContact O-N 3.44Å; S142-L146 WeakPolarHBondContact O-CB 3.35Å; S142-L146 VanDerWaalsContact O-CG 3.27Å; S142-L146 WeakPolarHBondContact O-CG 3.4Å; S142-L146 PolarHBondContact O-N 2.8Å
143C95.4Very high94.8Very high9 Ų981.5 Ų81.56%0.06140%0.403CS..Hα-helixtrans-62.1-38.3176.5-69.40000112.1F139 H140 H147 A158F139-C143 WeakPolarHBondContact O-CB 3.49Å; F139-C143 PolarHBondContact O-N 2.92Å; F139-C143 PolarHBondContact O-SG 2.86Å; H140-C143 PolarHBondContact O-N 2.83Å; C143-H147 WeakPolarHBondContact O-CB 3.35Å; C143-H147 PolarHBondContact O-N 2.66Å; C143-A158 HydrophobicContact CB-CB 4.24Å
144R94.9Very high94.7Very high142 Ų14283.2 Ų83.254%0.53641%0.405SS..Hα-helixtrans-66.3-44.4177.1-173.5173.3-64.3157.84.2112.3H140 S141 S142 H147 F148H140-R144 WeakPolarHBondContact O-CB 3.46Å; H140-R144 PolarHBondContact O-N 3.39Å; S141-R144 PolarHBondContact O-N 3.24Å; S142-R144 VanDerWaalsContact C-N 3.31Å; S142-R144 PolarHBondContact O-N 3.03Å; R144-H147 PolarHBondContact O-N 3.06Å; R144-F148 PolarHBondContact O-N 3.39Å
145V96.1Very high94.5Very high82 Ų8279 Ų7950%0.49738%0.382SS..Hα-helixtrans-63.6-48.2176.1172.20000110.4S141 S142 H147 F148 F149S141-V145 WeakPolarHBondContact O-CG2 3.42Å; S141-V145 PolarHBondContact O-N 3.46Å; S142-V145 PolarHBondContact O-N 3.44Å; V145-H147 VanDerWaalsContact C-N 3.31Å; V145-H147 PolarHBondContact O-N 2.92Å; V145-F148 WeakPolarHBondContact O-CB 3.28Å; V145-F148 PolarHBondContact O-N 3.12Å; V145-F148 VanDerWaalsContact O-N 3.12Å; V145-F149 HydrophobicContact CG1-CD2 4.05Å; V145-F149 HydrophobicContact CG1-CE2 3.71Å; V145-F149 WeakPolarHBondContact O-CD2 3.49Å; V145-F149 PolarHBondContact O-N 3.01Å
146L95.4Very high94.4Very high90 Ų9078.4 Ų78.447%0.47138%0.377SS..Hα-helixtrans-63.4-38.4177.5-68.1172.1000111.8S142 F148 F149 T150 L155S142-L146 WeakPolarHBondContact O-CB 3.35Å; S142-L146 VanDerWaalsContact O-CG 3.27Å; S142-L146 WeakPolarHBondContact O-CG 3.4Å; S142-L146 PolarHBondContact O-N 2.8Å; L146-F148 VanDerWaalsContact C-N 3.34Å; L146-F149 PolarHBondContact O-N 2.82Å; L146-T150 WeakPolarHBondContact O-CB 3.41Å; L146-T150 VanDerWaalsContact O-CG2 3.3Å; L146-T150 WeakPolarHBondContact O-CG2 3.44Å; L146-T150 PolarHBondContact O-N 2.78Å; L146-T150 PolarHBondContact O-OG1 3.1Å; L146-L155 HydrophobicContact CB-CD1 3.66Å
147H94.4Very high94.1Very high39 Ų3978.9 Ų78.918%0.18138%0.381CS..Hα-helixtrans-61.2-41.8172.7171.967.4000111.8C143 R144 V145 F149 T150 R151 S152 L155 F156C143-H147 WeakPolarHBondContact O-CB 3.35Å; C143-H147 PolarHBondContact O-N 2.66Å; R144-H147 PolarHBondContact O-N 3.06Å; V145-H147 VanDerWaalsContact C-N 3.31Å; V145-H147 PolarHBondContact O-N 2.92Å; H147-F149 VanDerWaalsContact C-N 3.27Å; H147-F149 PolarHBondContact O-N 2.95Å; H147-T150 PolarHBondContact O-N 3.13Å; H147-R151 WeakPolarHBondContact O-CA 3.37Å; H147-R151 PolarHBondContact O-N 3.36Å; H147-S152 PolarHBondContact ND1-O 3.09Å; H147-L155 HydrophobicContact CB-CB 3.99Å; H147-F156 AromaticContact CD2-CD2 3.95Å; H147-F156 AromaticContact NE2-CD2 3.96Å
148F94.9Very high93.9Very high123 Ų12374.6 Ų74.654%0.53937%0.366SS..Hα-helixtrans-56.3-42.1178.2177.3-96000112.2R144 V145 L146 R151R144-F148 PolarHBondContact O-N 3.39Å; V145-F148 WeakPolarHBondContact O-CB 3.28Å; V145-F148 PolarHBondContact O-N 3.12Å; V145-F148 VanDerWaalsContact O-N 3.12Å; L146-F148 VanDerWaalsContact C-N 3.34Å; F148-R151 PolarHBondContact O-NE 2.98Å
149F95.8Very high93.7Very high156 Ų15670.4 Ų70.468%0.68435%0.345SS*.Hα-helixtrans-79.6-40.2178.5-67.2-68.4000113.8V145 L146 H147V145-F149 HydrophobicContact CG1-CD2 4.05Å; V145-F149 HydrophobicContact CG1-CE2 3.71Å; V145-F149 WeakPolarHBondContact O-CD2 3.49Å; V145-F149 PolarHBondContact O-N 3.01Å; L146-F149 PolarHBondContact O-N 2.82Å; H147-F149 VanDerWaalsContact C-N 3.27Å; H147-F149 PolarHBondContact O-N 2.95Å
150T95.5Very high93.4Very high81 Ų8170.8 Ų70.850%0.49735%0.348SS..Hα-helixtrans-93.2-18.4-172.562.20000114.3L146 H147 S152 L155L146-T150 WeakPolarHBondContact O-CB 3.41Å; L146-T150 VanDerWaalsContact O-CG2 3.3Å; L146-T150 WeakPolarHBondContact O-CG2 3.44Å; L146-T150 PolarHBondContact O-N 2.78Å; L146-T150 PolarHBondContact O-OG1 3.1Å; H147-T150 PolarHBondContact O-N 3.13Å; T150-S152 PolarHBondContact O-N 2.97Å; T150-S152 VanDerWaalsContact O-N 3.1Å; T150-S152 WeakPolarHBondContact OG1-CB 3.44Å; T150-S152 PolarHBondContact OG1-N 2.98Å; T150-L155 WeakPolarHBondContact OG1-CD1 3.2Å
151R93.1Very high93.2Very high165 Ų16570.8 Ų70.862%0.62335%0.348SS*.  trans54.221.5-168.9-53.9-59.3-179.3164.4-1.8114.2H147 F148 K153H147-R151 WeakPolarHBondContact O-CA 3.37Å; H147-R151 PolarHBondContact O-N 3.36Å; F148-R151 PolarHBondContact O-NE 2.98Å; R151-K153 PolarHBondContact O-N 3.35Å
152S93.6Very high93Very high39 Ų3970.9 Ų70.927%0.27335%0.346SS..  trans-68.8120.1-179.6173.90000112H147 T150 R154 L155 F156H147-S152 PolarHBondContact ND1-O 3.09Å; T150-S152 PolarHBondContact O-N 2.97Å; T150-S152 VanDerWaalsContact O-N 3.1Å; T150-S152 WeakPolarHBondContact OG1-CB 3.44Å; T150-S152 PolarHBondContact OG1-N 2.98Å; S152-R154 VanDerWaalsContact C-N 3.28Å; S152-R154 PolarHBondContact O-N 2.96Å; S152-L155 PolarHBondContact O-N 3.45Å; S152-L155 PolarHBondContact OG-N 3.05Å; S152-F156 PolarHBondContact O-N 3.34Å; S152-F156 VanDerWaalsContact O-N 3.08Å
153K90.3Very high92.8Very high141 Ų14168.3 Ų68.361%0.61333%0.327SS*.Hα-helixtrans-60.3-36.8175.2-67.7-175.7177.4-176.60112.6R151 L155 F156 A157 Y226R151-K153 PolarHBondContact O-N 3.35Å; K153-L155 PolarHBondContact O-N 3.15Å; K153-F156 WeakPolarHBondContact O-CB 3.22Å; K153-F156 PolarHBondContact O-N 2.92Å; K153-A157 PolarHBondContact O-N 3.22Å; K153-Y226 HydrophobicContact CB-CE1 3.91Å
154R92.8Very high92.5Very high67 Ų6770.2 Ų70.225%0.25334%0.339SS..Hα-helixtrans-60.9-41.9176-177.6178.6174.2-115.5-8112.1S152 A157 A158 D224 Y226 K227S152-R154 VanDerWaalsContact C-N 3.28Å; S152-R154 PolarHBondContact O-N 2.96Å; R154-A157 PolarHBondContact O-N 3.34Å; R154-A158 WeakPolarHBondContact O-CB 3.25Å; R154-A158 PolarHBondContact O-N 2.85Å; R154-D224 IonicContact CZ-OD2 3.44Å; R154-D224 IonicContact NE-OD1 3.09Å; R154-D224 IonicContact NE-OD2 2.81Å; R154-D224 PolarHBondContact NE-OD2 2.8Å; R154-D224 IonicContact NH2-OD2 3.14Å; R154-D224 PolarHBondContact NH2-OD2 3.24Å; R154-Y226 HydrophobicContact CB-CD1 3.98Å; R154-Y226 HydrophobicContact CB-CD2 3.96Å; R154-Y226 HydrophobicContact CB-CE1 4.44Å; R154-Y226 HydrophobicContact CB-CE2 4.44Å; R154-Y226 HydrophobicContact CB-CG 3.72Å; R154-Y226 HydrophobicContact CG-CD2 3.87Å; R154-Y226 HydrophobicContact CG-CG 3.88Å; R154-K227 VanDerWaalsContact NH1-CE 3.33Å
155L92.3Very high92Very high38 Ų3865.3 Ų65.320%0.19933%0.325CS..Hα-helixtrans-71.5-33.8176.2-71.7174000112.3L146 H147 T150 S152 K153 A158 S159L146-L155 HydrophobicContact CB-CD1 3.66Å; H147-L155 HydrophobicContact CB-CB 3.99Å; T150-L155 WeakPolarHBondContact OG1-CD1 3.2Å; S152-L155 PolarHBondContact O-N 3.45Å; S152-L155 PolarHBondContact OG-N 3.05Å; K153-L155 PolarHBondContact O-N 3.15Å; L155-A158 PolarHBondContact O-N 2.66Å; L155-S159 WeakPolarHBondContact O-CB 3.5Å; L155-S159 PolarHBondContact O-N 3Å
156F91.6Very high91.5Very high78 Ų7864.7 Ų64.734%0.34232%0.316SS..Hα-helixtrans-61.2-48.7171.2-178-111.7000111.4H147 S152 K153 A158 S159 L160 Q311H147-F156 AromaticContact CD2-CD2 3.95Å; H147-F156 AromaticContact NE2-CD2 3.96Å; S152-F156 PolarHBondContact O-N 3.34Å; S152-F156 VanDerWaalsContact O-N 3.08Å; K153-F156 WeakPolarHBondContact O-CB 3.22Å; K153-F156 PolarHBondContact O-N 2.92Å; F156-A158 PolarHBondContact O-N 3.35Å; F156-S159 WeakPolarHBondContact O-CB 3.44Å; F156-S159 PolarHBondContact O-N 2.68Å; F156-S159 PolarHBondContact O-OG 3.37Å; F156-L160 HydrophobicContact CD1-CD1 4.29Å; F156-L160 HydrophobicContact CE1-CD1 3.66Å; F156-L160 HydrophobicContact CE2-CD1 4.18Å; F156-L160 HydrophobicContact CZ-CD1 3.61Å; F156-L160 PolarHBondContact O-N 3.29Å; F156-Q311 HydrophobicContact CD1-CB 4.49Å; F156-Q311 HydrophobicContact CD1-CG 4.42Å; F156-Q311 HydrophobicContact CE1-CG 4.36Å
157A89.4Confident91.3Very high10 Ų1060.7 Ų60.78%0.08330%0.295CS..Hα-helixtrans-58.4-46.6175.200000112.3K153 R154 S159 L160 F161 Y226 Q311K153-A157 PolarHBondContact O-N 3.22Å; R154-A157 PolarHBondContact O-N 3.34Å; A157-S159 PolarHBondContact O-N 3.09Å; A157-L160 CarbonylContact O-C 3.59Å; A157-L160 PolarHBondContact O-N 3.01Å; A157-F161 PolarHBondContact O-N 2.65Å; A157-Y226 HydrophobicContact CB-CE2 3.62Å; A157-Q311 HydrophobicContact CB-CG 4.23Å; A157-Q311 VanDerWaalsContact CB-OE1 3.31Å
158A90.6Very high91.4Very high23 Ų2358.9 Ų58.919%0.1929%0.287CS..Hα-helixtrans-58.8-33.6174.800000112.7F139 C143 R154 L155 F156 L160 F161F139-A158 HydrophobicContact CE1-CB 4.26Å; F139-A158 VanDerWaalsContact CE1-O 3.3Å; F139-A158 WeakPolarHBondContact CE1-O 3.19Å; F139-A158 HydrophobicContact CZ-CB 3.94Å; C143-A158 HydrophobicContact CB-CB 4.24Å; R154-A158 WeakPolarHBondContact O-CB 3.25Å; R154-A158 PolarHBondContact O-N 2.85Å; L155-A158 PolarHBondContact O-N 2.66Å; F156-A158 PolarHBondContact O-N 3.35Å; A158-L160 PolarHBondContact O-N 3.16Å; A158-F161 PolarHBondContact O-N 3.49Å
159S91.4Very high91.6Very high2 Ų253 Ų531%0.01426%0.261CS..Hα-helixtrans-71.4-13.8176.982.40000114.6L155 F156 A157L155-S159 WeakPolarHBondContact O-CB 3.5Å; L155-S159 PolarHBondContact O-N 3Å; F156-S159 WeakPolarHBondContact O-CB 3.44Å; F156-S159 PolarHBondContact O-N 2.68Å; F156-S159 PolarHBondContact O-OG 3.37Å; A157-S159 PolarHBondContact O-N 3.09Å
160L89.1Confident91.7Very high42 Ų4245.6 Ų45.622%0.2223%0.229CC..Hα-helixtrans-111-5.2177.8-61.6179.3000112.6F156 A157 A158 T162 Q311 I313F156-L160 HydrophobicContact CD1-CD1 4.29Å; F156-L160 HydrophobicContact CE1-CD1 3.66Å; F156-L160 HydrophobicContact CE2-CD1 4.18Å; F156-L160 HydrophobicContact CZ-CD1 3.61Å; F156-L160 PolarHBondContact O-N 3.29Å; A157-L160 CarbonylContact O-C 3.59Å; A157-L160 PolarHBondContact O-N 3.01Å; A158-L160 PolarHBondContact O-N 3.16Å; L160-T162 PolarHBondContact O-N 2.94Å; L160-Q311 HydrophobicContact CB-CG 4.47Å; L160-Q311 HydrophobicContact CD1-CG 3.72Å; L160-I313 HydrophobicContact CD1-CG1 4.14Å
161F90.1Very high91.8Very high33 Ų3341.9 Ų41.915%0.14521%0.205CC..  trans-64.9126.1-175.8176.5-92.8000111.2M136 H140 A157 A158 F163 I234M136-F161 HydrophobicContact CE-CD1 4.36Å; H140-F161 PolarHBondContact CE1-O 2.65Å; H140-F161 PolarHBondContact NE2-O 3.15Å; A157-F161 PolarHBondContact O-N 2.65Å; A158-F161 PolarHBondContact O-N 3.49Å; F161-F163 AromaticContact CE1-CD1 3.79Å; F161-F163 HydrophobicContact CE1-CD1 3.79Å; F161-F163 HydrophobicContact CE1-CD2 4.33Å; F161-F163 AromaticContact CE1-CE1 3.58Å; F161-F163 HydrophobicContact CE1-CE1 3.58Å; F161-F163 HydrophobicContact CE1-CE2 4.15Å; F161-F163 HydrophobicContact CE1-CG 4.17Å; F161-F163 AromaticContact CE1-CZ 3.78Å; F161-F163 HydrophobicContact CE1-CZ 3.78Å; F161-F163 AromaticContact CZ-CD1 3.89Å; F161-F163 HydrophobicContact CZ-CD1 3.89Å; F161-F163 AromaticContact CZ-CE1 3.82Å; F161-F163 HydrophobicContact CZ-CE1 3.82Å; F161-F163 HydrophobicContact CZ-CZ 4.46Å; F161-I234 HydrophobicContact CD1-CD1 3.98Å; F161-I234 HydrophobicContact CE1-CD1 3.8Å; F161-I234 HydrophobicContact CZ-CD1 4.27Å
162T89.8Confident92Very high71 Ų7134 Ų3444%0.43618%0.176SC..  trans-127146.9171.755.30000109.2L160L160-T162 PolarHBondContact O-N 2.94Å
163F91.7Very high92.2Very high3 Ų332.4 Ų32.41%0.01316%0.164CC..  trans-74144.2170.4-65-72.5000109.6V127 W130 N131 M136 F161 S169 L170 I234 I238V127-F163 HydrophobicContact CG1-CB 4.17Å; V127-F163 VanDerWaalsContact CG1-O 3.29Å; V127-F163 WeakPolarHBondContact CG1-O 3.38Å; W130-F163 HydrophobicContact CB-CD2 4.05Å; W130-F163 HydrophobicContact CB-CE2 4.36Å; W130-F163 HydrophobicContact CE3-CE2 4.38Å; N131-F163 PolarHBondContact ND2-O 2.92Å; N131-F163 PolarHBondContact OD1-N 3.22Å; M136-F163 HydrophobicContact CE-CE2 4.3Å; M136-F163 HydrophobicContact SD-CE2 3.91Å; F161-F163 AromaticContact CE1-CD1 3.79Å; F161-F163 HydrophobicContact CE1-CD1 3.79Å; F161-F163 HydrophobicContact CE1-CD2 4.33Å; F161-F163 AromaticContact CE1-CE1 3.58Å; F161-F163 HydrophobicContact CE1-CE1 3.58Å; F161-F163 HydrophobicContact CE1-CE2 4.15Å; F161-F163 HydrophobicContact CE1-CG 4.17Å; F161-F163 AromaticContact CE1-CZ 3.78Å; F161-F163 HydrophobicContact CE1-CZ 3.78Å; F161-F163 AromaticContact CZ-CD1 3.89Å; F161-F163 HydrophobicContact CZ-CD1 3.89Å; F161-F163 AromaticContact CZ-CE1 3.82Å; F161-F163 HydrophobicContact CZ-CE1 3.82Å; F161-F163 HydrophobicContact CZ-CZ 4.46Å; F163-S169 WeakPolarHBondContact CD1-OG 3.34Å; F163-L170 HydrophobicContact CB-CD1 3.53Å; F163-L170 HydrophobicContact CB-CG 4.23Å; F163-L170 HydrophobicContact CD1-CD1 4.04Å; F163-L170 HydrophobicContact CD1-CG 3.92Å; F163-L170 HydrophobicContact CD2-CD1 3.88Å; F163-L170 HydrophobicContact CD2-CG 4.5Å; F163-L170 HydrophobicContact CE1-CG 4.38Å; F163-L170 HydrophobicContact CG-CD1 3.55Å; F163-L170 HydrophobicContact CG-CG 3.98Å; F163-I234 HydrophobicContact CE1-CG2 4.08Å; F163-I234 HydrophobicContact CZ-CG2 4.29Å; F163-I238 HydrophobicContact CE1-CD1 4.23Å; F163-I238 HydrophobicContact CE1-CG2 4.35Å; F163-I238 HydrophobicContact CE2-CG2 4.3Å; F163-I238 HydrophobicContact CZ-CD1 4.49Å; F163-I238 HydrophobicContact CZ-CG2 3.66Å
164T88.8Confident92.6Very high50 Ų5027.9 Ų27.931%0.30714%0.143SC..  trans-126.9157.9172.674.40000109.8Q166 Q167T164-Q166 PolarHBondContact O-N 3.08Å; T164-Q167 PolarHBondContact O-N 2.83Å; T164-Q167 WeakPolarHBondContact OG1-CG 3.39Å; T164-Q167 PolarHBondContact OG1-N 3.44Å
165T84.5Confident92.8Very high39 Ų3924.8 Ų24.824%0.23913%0.132CC..SBendtrans-66.7-27176.246.60000112.6L121 A124 V127 Q167 R171L121-T165 HydrophobicContact CD2-CG2 4.21Å; A124-T165 HydrophobicContact CB-CG2 3.95Å; V127-T165 HydrophobicContact CB-CG2 4.47Å; V127-T165 HydrophobicContact CG2-CG2 4.11Å; T165-Q167 VanDerWaalsContact C-N 3.31Å; T165-Q167 PolarHBondContact O-N 3.46Å; T165-R171 PolarHBondContact O-NE 2.85Å
166Q85.8Confident93.1Very high69 Ų6924.1 Ų24.132%0.32213%0.128SC..SBendtrans-68.5-29.8177.2-63.9179.4-3.600112.3W118 T164 R171 N335W118-Q166 HydrophobicContact CE3-CG 4.46Å; T164-Q166 PolarHBondContact O-N 3.08Å; Q166-R171 PolarHBondContact O-NH2 3.02Å; Q166-N335 PolarHBondContact NE2-ND2 2.91Å; Q166-N335 PolarHBondContact OE1-ND2 2.82Å
167Q92.6Very high93.3Very high6 Ų626.3 Ų26.33%0.02814%0.14CC..SBendtrans-68.7152.7174.6-72.1169-0.600111.4T164 T165 R171 Y317T164-Q167 PolarHBondContact O-N 2.83Å; T164-Q167 WeakPolarHBondContact OG1-CG 3.39Å; T164-Q167 PolarHBondContact OG1-N 3.44Å; T165-Q167 VanDerWaalsContact C-N 3.31Å; T165-Q167 PolarHBondContact O-N 3.46Å; Q167-R171 VanDerWaalsContact C-NH2 3.34Å; Q167-R171 PolarHBondContact O-NE 3.4Å; Q167-R171 VanDerWaalsContact O-NE 3.16Å; Q167-R171 PolarHBondContact O-NH2 3.18Å; Q167-Y317 PolarHBondContact NE2-OH 3.32Å
168T96.9Very high93.6Very high0 Ų030 Ų300%016%0.158CC..SBendtrans-75.3-31.7177-56.50000112.5G99 F101 L170 R171 L172 F193 T220G99-T168 PolarHBondContact O-OG1 3Å; G99-T168 VanDerWaalsContact O-OG1 3.06Å; F101-T168 HydrophobicContact CB-CG2 3.77Å; F101-T168 HydrophobicContact CD1-CG2 3.45Å; F101-T168 VanDerWaalsContact CD1-CG2 3.45Å; F101-T168 HydrophobicContact CD2-CG2 4.14Å; F101-T168 HydrophobicContact CE1-CG2 4.03Å; F101-T168 HydrophobicContact CG-CG2 3.49Å; F101-T168 VanDerWaalsContact CG-CG2 3.49Å; T168-L170 PolarHBondContact O-N 2.63Å; T168-R171 PolarHBondContact O-N 2.82Å; T168-R171 VanDerWaalsContact O-N 3.11Å; T168-L172 HydrophobicContact CG2-CB 4.37Å; T168-L172 PolarHBondContact O-N 3.35Å; T168-F193 HydrophobicContact CG2-CE2 3.51Å; T168-F193 HydrophobicContact CG2-CZ 3.53Å; T168-T220 PolarHBondContact N-O 3.31Å
169S97.3Very high94Very high0 Ų030.7 Ų30.70%016%0.158CC..Hα-helixtrans-38.8-67.1-17255.80000114.6F163 L172 V173 T220F163-S169 WeakPolarHBondContact CD1-OG 3.34Å; S169-L172 PolarHBondContact O-N 3.35Å; S169-V173 WeakPolarHBondContact O-CG2 3.48Å; S169-V173 PolarHBondContact O-N 2.88Å; S169-V173 VanDerWaalsContact O-N 3.11Å; S169-T220 PolarHBondContact N-O 2.93Å
170L97.7Very high94.3Very high1 Ų135.1 Ų35.11%0.00518%0.181CC..Hα-helixtrans-79.8-18.8-175.1-67.1-177.1000113.9A123 L126 V127 W130 F163 T168 V173 W174 I238A123-L170 HydrophobicContact CB-CB 4.48Å; L126-L170 HydrophobicContact CD2-CB 4.23Å; L126-L170 HydrophobicContact CD2-CD2 4.4Å; L126-L170 WeakPolarHBondContact CD2-O 3.46Å; L126-L170 HydrophobicContact CG-CB 4.43Å; L126-L170 HydrophobicContact CG-CD2 4.42Å; V127-L170 VanDerWaalsContact CA-CD1 3.43Å; V127-L170 HydrophobicContact CB-CD1 4.08Å; V127-L170 HydrophobicContact CG2-CB 3.95Å; V127-L170 HydrophobicContact CG2-CD1 3.68Å; V127-L170 HydrophobicContact CG2-CG 4.4Å; W130-L170 HydrophobicContact CB-CD1 3.92Å; W130-L170 HydrophobicContact CG-CD1 4.07Å; W130-L170 HydrophobicContact CG-CD2 4.15Å; F163-L170 HydrophobicContact CB-CD1 3.53Å; F163-L170 HydrophobicContact CB-CG 4.23Å; F163-L170 HydrophobicContact CD1-CD1 4.04Å; F163-L170 HydrophobicContact CD1-CG 3.92Å; F163-L170 HydrophobicContact CD2-CD1 3.88Å; F163-L170 HydrophobicContact CD2-CG 4.5Å; F163-L170 HydrophobicContact CE1-CG 4.38Å; F163-L170 HydrophobicContact CG-CD1 3.55Å; F163-L170 HydrophobicContact CG-CG 3.98Å; T168-L170 PolarHBondContact O-N 2.63Å; L170-V173 HydrophobicContact CD2-CB 4.28Å; L170-V173 HydrophobicContact CD2-CG2 3.96Å; L170-W174 PolarHBondContact O-N 2.85Å; L170-I238 HydrophobicContact CD2-CD1 4.41Å; L170-I238 HydrophobicContact CD2-CG2 4.14Å
171R97.8Very high94.6Very high2 Ų237 Ų371%0.00819%0.188CC..Hα-helixtrans-69.9-36.6168.4-70.2-176.7-78.1128.55.6111.2G99 F101 I116 S117 A123 T165 Q166 Q167 T168 W174 I175G99-R171 PolarHBondContact O-NH1 2.8Å; G99-R171 VanDerWaalsContact O-NH1 3.1Å; G99-R171 PolarHBondContact O-NH2 2.84Å; F101-R171 HydrophobicContact CE1-CB 3.55Å; F101-R171 HydrophobicContact CZ-CB 4.01Å; I116-R171 PolarHBondContact O-NH1 2.92Å; I116-R171 VanDerWaalsContact O-NH1 3.08Å; S117-R171 PolarHBondContact O-NH1 3.14Å; A123-R171 HydrophobicContact CB-CB 4.38Å; A123-R171 HydrophobicContact CB-CG 3.68Å; T165-R171 PolarHBondContact O-NE 2.85Å; Q166-R171 PolarHBondContact O-NH2 3.02Å; Q167-R171 VanDerWaalsContact C-NH2 3.34Å; Q167-R171 PolarHBondContact O-NE 3.4Å; Q167-R171 VanDerWaalsContact O-NE 3.16Å; Q167-R171 PolarHBondContact O-NH2 3.18Å; T168-R171 PolarHBondContact O-N 2.82Å; T168-R171 VanDerWaalsContact O-N 3.11Å; R171-W174 WeakPolarHBondContact O-CB 3.43Å; R171-W174 PolarHBondContact O-N 3.35Å; R171-I175 WeakPolarHBondContact O-CG1 3.4Å; R171-I175 PolarHBondContact O-N 3.29Å; R171-I175 VanDerWaalsContact O-N 3.08Å
172L98.3Very high95Very high0 Ų035.4 Ų35.40%018%0.181CC..Hα-helixtrans-67.1-42.3172.1177.958.8000111.6F101 T103 T168 S169 W174 I175 L176 F193 L222 I240 L244F101-L172 HydrophobicContact CD2-CD1 4.46Å; F101-L172 HydrophobicContact CE2-CB 4.14Å; F101-L172 HydrophobicContact CE2-CD1 3.91Å; F101-L172 HydrophobicContact CZ-CB 4.24Å; T103-L172 HydrophobicContact CG2-CD1 3.96Å; T168-L172 HydrophobicContact CG2-CB 4.37Å; T168-L172 PolarHBondContact O-N 3.35Å; S169-L172 PolarHBondContact O-N 3.35Å; L172-W174 VanDerWaalsContact C-N 3.26Å; L172-W174 PolarHBondContact O-N 2.66Å; L172-I175 WeakPolarHBondContact O-CB 3.47Å; L172-I175 PolarHBondContact O-N 2.85Å; L172-I175 VanDerWaalsContact O-N 3.12Å; L172-L176 HydrophobicContact CD1-CD1 4.47Å; L172-L176 HydrophobicContact CD1-CG 4.28Å; L172-L176 HydrophobicContact CG-CD1 4.22Å; L172-L176 HydrophobicContact CG-CG 4.49Å; L172-L176 WeakPolarHBondContact O-CG 3.35Å; L172-L176 PolarHBondContact O-N 3.13Å; L172-F193 HydrophobicContact CD1-CD2 4Å; L172-F193 HydrophobicContact CD1-CE2 4.44Å; L172-F193 HydrophobicContact CD2-CD2 3.68Å; L172-F193 HydrophobicContact CD2-CE2 3.8Å; L172-F193 HydrophobicContact CD2-CG 4.22Å; L172-F193 HydrophobicContact CD2-CZ 4.45Å; L172-F193 HydrophobicContact CG-CD2 4.42Å; L172-L222 HydrophobicContact CD2-CD1 4.34Å; L172-I240 HydrophobicContact CD2-CD1 3.95Å; L172-I240 HydrophobicContact CD2-CG2 4.33Å; L172-I240 HydrophobicContact CG-CD1 4.23Å; L172-L244 HydrophobicContact CD2-CD2 4.33Å
173V98.1Very high95.3Very high5 Ų535.8 Ų35.83%0.0318%0.178CC..Hα-helixtrans-56.6-44.2173174.60000111L126 S169 L170 I175 L176 Q177 I238 I240L126-V173 HydrophobicContact CD2-CB 4.06Å; L126-V173 HydrophobicContact CD2-CG1 3.82Å; S169-V173 WeakPolarHBondContact O-CG2 3.48Å; S169-V173 PolarHBondContact O-N 2.88Å; S169-V173 VanDerWaalsContact O-N 3.11Å; L170-V173 HydrophobicContact CD2-CB 4.28Å; L170-V173 HydrophobicContact CD2-CG2 3.96Å; V173-I175 VanDerWaalsContact C-N 3.33Å; V173-I175 PolarHBondContact O-N 3.43Å; V173-L176 PolarHBondContact O-N 2.81Å; V173-Q177 HydrophobicContact CG1-CG 4.32Å; V173-Q177 WeakPolarHBondContact O-CB 3.34Å; V173-Q177 VanDerWaalsContact O-CG 3.3Å; V173-Q177 WeakPolarHBondContact O-CG 3.33Å; V173-Q177 PolarHBondContact O-N 2.69Å; V173-I238 HydrophobicContact CG2-CB 3.86Å; V173-I238 HydrophobicContact CG2-CD1 3.92Å; V173-I238 HydrophobicContact CG2-CG1 3.88Å; V173-I240 HydrophobicContact CG2-CD1 3.95Å; V173-I240 HydrophobicContact CG2-CG1 4.22Å
174W97.8Very high95.6Very high47 Ų4741 Ų4118%0.17820%0.201CC..Hα-helixtrans-57.7-46.3176.1-171.699.6000111.2W59 R122 A123 L126 L170 R171 L172 L176 Q177 N178W59-W174 AromaticContact CH2-CH2 3.42Å; W59-W174 HydrophobicContact CH2-CH2 3.42Å; W59-W174 VanDerWaalsContact CH2-CH2 3.42Å; W59-W174 AromaticContact CH2-CZ2 3.62Å; W59-W174 HydrophobicContact CH2-CZ2 3.62Å; W59-W174 HydrophobicContact CH2-CZ3 4.35Å; W59-W174 HydrophobicContact CZ2-CH2 4.05Å; W59-W174 AromaticContact CZ2-CZ2 3.78Å; W59-W174 HydrophobicContact CZ2-CZ2 3.78Å; W59-W174 HydrophobicContact CZ3-CH2 4.16Å; R122-W174 HydrophobicContact CG-CD2 3.97Å; R122-W174 HydrophobicContact CG-CE3 4.26Å; R122-W174 HydrophobicContact CG-CG 4.16Å; A123-W174 HydrophobicContact CB-CB 4.37Å; L126-W174 HydrophobicContact CD2-CB 4.33Å; L170-W174 PolarHBondContact O-N 2.85Å; R171-W174 WeakPolarHBondContact O-CB 3.43Å; R171-W174 PolarHBondContact O-N 3.35Å; L172-W174 VanDerWaalsContact C-N 3.26Å; L172-W174 PolarHBondContact O-N 2.66Å; W174-L176 PolarHBondContact O-N 2.89Å; W174-Q177 PolarHBondContact O-N 3Å; W174-N178 HydrophobicContact CD2-CB 4.29Å; W174-N178 HydrophobicContact CE3-CB 4.08Å; W174-N178 HydrophobicContact CH2-CB 3.74Å; W174-N178 HydrophobicContact CZ2-CB 4Å; W174-N178 HydrophobicContact CZ3-CB 3.8Å; W174-N178 WeakPolarHBondContact O-CB 3.4Å; W174-N178 PolarHBondContact O-N 2.62Å; W174-N178 PolarHBondContact O-ND2 2.72Å
175I98Very high96Very high1 Ų138.9 Ų38.91%0.00519%0.188CC..Hα-helixtrans-59-47.6177.1-70.6-67.4000111.4F101 I116 R171 L172 V173 Q177 N178 L179 V182F101-I175 HydrophobicContact CE2-CG1 4.12Å; F101-I175 HydrophobicContact CZ-CG1 3.87Å; I116-I175 HydrophobicContact CD1-CD1 4.25Å; I116-I175 HydrophobicContact CG1-CD1 4.1Å; I116-I175 HydrophobicContact CG1-CG1 4.34Å; R171-I175 WeakPolarHBondContact O-CG1 3.4Å; R171-I175 PolarHBondContact O-N 3.29Å; R171-I175 VanDerWaalsContact O-N 3.08Å; L172-I175 WeakPolarHBondContact O-CB 3.47Å; L172-I175 PolarHBondContact O-N 2.85Å; L172-I175 VanDerWaalsContact O-N 3.12Å; V173-I175 VanDerWaalsContact C-N 3.33Å; V173-I175 PolarHBondContact O-N 3.43Å; I175-Q177 PolarHBondContact O-N 2.98Å; I175-N178 PolarHBondContact O-N 3.41Å; I175-L179 HydrophobicContact CD1-CD1 3.92Å; I175-L179 HydrophobicContact CD1-CG 4.48Å; I175-L179 HydrophobicContact CG2-CD1 4.1Å; I175-L179 PolarHBondContact O-N 2.64Å; I175-V182 HydrophobicContact CG2-CB 4.33Å; I175-V182 HydrophobicContact CG2-CG1 4.13Å; I175-V182 HydrophobicContact CG2-CG2 4.02Å
176L97.1Very high96.6Very high25 Ų2538.4 Ų38.413%0.13119%0.185CC..Hα-helixtrans-62.8-27.6179.5-66.3172.7000113.3L172 V173 W174 V182 V186 I240L172-L176 HydrophobicContact CD1-CD1 4.47Å; L172-L176 HydrophobicContact CD1-CG 4.28Å; L172-L176 HydrophobicContact CG-CD1 4.22Å; L172-L176 HydrophobicContact CG-CG 4.49Å; L172-L176 WeakPolarHBondContact O-CG 3.35Å; L172-L176 PolarHBondContact O-N 3.13Å; V173-L176 PolarHBondContact O-N 2.81Å; W174-L176 PolarHBondContact O-N 2.89Å; L176-V182 HydrophobicContact CD2-CG1 3.85Å; L176-V186 HydrophobicContact CD2-CG2 3.78Å; L176-I240 HydrophobicContact CD1-CG1 4.01Å
177Q96.3Very high97Very high124 Ų12441.5 Ų41.558%0.57920%0.2SC*.Hα-helixtrans-87.1-23.1179.1-71.8175.9-12.900113.6V173 W174 I175V173-Q177 HydrophobicContact CG1-CG 4.32Å; V173-Q177 WeakPolarHBondContact O-CB 3.34Å; V173-Q177 VanDerWaalsContact O-CG 3.3Å; V173-Q177 WeakPolarHBondContact O-CG 3.33Å; V173-Q177 PolarHBondContact O-N 2.69Å; W174-Q177 PolarHBondContact O-N 3Å; I175-Q177 PolarHBondContact O-N 2.98Å
178N97.1Very high97.2Very high87 Ų8747.7 Ų47.747%0.46523%0.228SC..Hα-helixtrans-113.7-20.9-170-69.7-89.7000113.9W174 I175W174-N178 HydrophobicContact CD2-CB 4.29Å; W174-N178 HydrophobicContact CE3-CB 4.08Å; W174-N178 HydrophobicContact CH2-CB 3.74Å; W174-N178 HydrophobicContact CZ2-CB 4Å; W174-N178 HydrophobicContact CZ3-CB 3.8Å; W174-N178 WeakPolarHBondContact O-CB 3.4Å; W174-N178 PolarHBondContact O-N 2.62Å; W174-N178 PolarHBondContact O-ND2 2.72Å; I175-N178 PolarHBondContact O-N 3.41Å
179L97.6Very high97.1Very high38 Ų3855.1 Ų55.120%0.19926%0.263CS..  trans-108.7103.9178.3-62.3-173000111.2H113 I175 E181 V182 Q183H113-L179 HydrophobicContact CB-CD1 3.87Å; I175-L179 HydrophobicContact CD1-CD1 3.92Å; I175-L179 HydrophobicContact CD1-CG 4.48Å; I175-L179 HydrophobicContact CG2-CD1 4.1Å; I175-L179 PolarHBondContact O-N 2.64Å; L179-E181 VanDerWaalsContact C-N 3.26Å; L179-E181 PolarHBondContact O-N 3.45Å; L179-V182 HydrophobicContact CB-CB 4.15Å; L179-V182 HydrophobicContact CB-CG2 3.69Å; L179-V182 HydrophobicContact CD1-CG2 4Å; L179-V182 PolarHBondContact O-N 2.84Å; L179-V182 VanDerWaalsContact O-N 3.12Å; L179-Q183 PolarHBondContact O-N 2.78Å; L179-Q183 VanDerWaalsContact O-N 3.08Å
180I97.3Very high97Very high94 Ų9455.6 Ų55.648%0.48227%0.266SS..Hα-helixtrans-62.3-33.6-175.9-170.961.4000112.4Q183 K184I180-Q183 PolarHBondContact O-N 3.13Å; I180-K184 HydrophobicContact CG1-CD 4.47Å; I180-K184 WeakPolarHBondContact O-CG 3.46Å; I180-K184 PolarHBondContact O-N 3.26Å
181E97.3Very high97Very high81 Ų8156.1 Ų56.138%0.37927%0.269SS..Hα-helixtrans-66-37.5176.359.9-80.7-174.400112.4F112 L179 A185F112-E181 HydrophobicContact CB-CG 4.48Å; F112-E181 HydrophobicContact CD1-CB 4.32Å; F112-E181 HydrophobicContact CD1-CG 3.97Å; L179-E181 VanDerWaalsContact C-N 3.26Å; L179-E181 PolarHBondContact O-N 3.45Å; E181-A185 WeakPolarHBondContact O-CB 3.27Å; E181-A185 PolarHBondContact O-N 2.82Å
182V97.8Very high97Very high0 Ų056.2 Ų56.20%027%0.27CS..Hα-helixtrans-70.6-43.9175.9-174.60000109.6T103 F112 I175 L176 L179 K184 A185 V186T103-V182 HydrophobicContact CG2-CG1 4.45Å; F112-V182 HydrophobicContact CB-CG2 3.57Å; F112-V182 HydrophobicContact CD1-CG2 4.48Å; F112-V182 HydrophobicContact CD2-CG2 3.98Å; F112-V182 HydrophobicContact CG-CG2 3.79Å; I175-V182 HydrophobicContact CG2-CB 4.33Å; I175-V182 HydrophobicContact CG2-CG1 4.13Å; I175-V182 HydrophobicContact CG2-CG2 4.02Å; L176-V182 HydrophobicContact CD2-CG1 3.85Å; L179-V182 HydrophobicContact CB-CB 4.15Å; L179-V182 HydrophobicContact CB-CG2 3.69Å; L179-V182 HydrophobicContact CD1-CG2 4Å; L179-V182 PolarHBondContact O-N 2.84Å; L179-V182 VanDerWaalsContact O-N 3.12Å; V182-K184 PolarHBondContact O-N 3.29Å; V182-A185 PolarHBondContact O-N 2.51Å; V182-V186 HydrophobicContact CG1-CG2 4.44Å; V182-V186 WeakPolarHBondContact O-CG2 3.5Å; V182-V186 PolarHBondContact O-N 3.07Å
183Q96.4Very high97Very high80 Ų8056.2 Ų56.237%0.37427%0.27SS..Hα-helixtrans-55.9-51.7177.1-175.6-1762.100111.3L179 I180 A185 V186 E187L179-Q183 PolarHBondContact O-N 2.78Å; L179-Q183 VanDerWaalsContact O-N 3.08Å; I180-Q183 PolarHBondContact O-N 3.13Å; Q183-A185 VanDerWaalsContact C-N 3.34Å; Q183-A185 PolarHBondContact O-N 3.5Å; Q183-V186 PolarHBondContact O-N 3.25Å; Q183-V186 VanDerWaalsContact O-N 3.15Å; Q183-E187 WeakPolarHBondContact CG-OE1 3.36Å; Q183-E187 PolarHBondContact NE2-OE1 3.1Å; Q183-E187 VanDerWaalsContact NE2-OE1 3.09Å; Q183-E187 WeakPolarHBondContact O-CG 3.46Å; Q183-E187 PolarHBondContact O-N 2.94Å
184K96.8Very high97Very high113 Ų11356 Ų5649%0.49127%0.269SS..Hα-helixtrans-58.8-44.8177.2-73.4175.1178.5177.70112I180 V182 V186 E187 E188I180-K184 HydrophobicContact CG1-CD 4.47Å; I180-K184 WeakPolarHBondContact O-CG 3.46Å; I180-K184 PolarHBondContact O-N 3.26Å; V182-K184 PolarHBondContact O-N 3.29Å; K184-V186 VanDerWaalsContact C-N 3.26Å; K184-V186 PolarHBondContact O-N 3.4Å; K184-E187 PolarHBondContact O-N 3.17Å; K184-E188 WeakPolarHBondContact O-CB 3.47Å; K184-E188 WeakPolarHBondContact O-CG 3.42Å; K184-E188 PolarHBondContact O-N 3.29Å
185A97.4Very high97.1Very high4 Ų453.9 Ų53.93%0.03326%0.261CS..Hα-helixtrans-63.6-32.7178.700000112.6F112 E181 V182 Q183 E189 N190 C191F112-A185 HydrophobicContact CE1-CB 4.06Å; F112-A185 HydrophobicContact CE2-CB 3.95Å; F112-A185 HydrophobicContact CZ-CB 3.34Å; E181-A185 WeakPolarHBondContact O-CB 3.27Å; E181-A185 PolarHBondContact O-N 2.82Å; V182-A185 PolarHBondContact O-N 2.51Å; Q183-A185 VanDerWaalsContact C-N 3.34Å; Q183-A185 PolarHBondContact O-N 3.5Å; A185-E189 PolarHBondContact O-N 3.01Å; A185-N190 CarbonylContact O-C 3.5Å; A185-N190 WeakPolarHBondContact O-CA 3.31Å; A185-N190 PolarHBondContact O-N 2.91Å; A185-C191 HydrophobicContact CB-CB 3.81Å; A185-C191 PolarHBondContact O-N 3Å; A185-C191 VanDerWaalsContact O-N 3.09Å
186V96.7Very high97.1Very high30 Ų3053.9 Ų53.918%0.18226%0.261CS..Hα-helixtrans-69.6-44.4173.9170.30000111.2L176 V182 Q183 K184 E188 E189 C191 P241 L244L176-V186 HydrophobicContact CD2-CG2 3.78Å; V182-V186 HydrophobicContact CG1-CG2 4.44Å; V182-V186 WeakPolarHBondContact O-CG2 3.5Å; V182-V186 PolarHBondContact O-N 3.07Å; Q183-V186 PolarHBondContact O-N 3.25Å; Q183-V186 VanDerWaalsContact O-N 3.15Å; K184-V186 VanDerWaalsContact C-N 3.26Å; K184-V186 PolarHBondContact O-N 3.4Å; V186-E188 PolarHBondContact O-N 2.92Å; V186-E189 PolarHBondContact O-N 2.86Å; V186-E189 VanDerWaalsContact O-N 3.1Å; V186-C191 HydrophobicContact CB-CB 4.4Å; V186-C191 HydrophobicContact CG2-CB 3.57Å; V186-P241 HydrophobicContact CG1-CG 3.76Å; V186-L244 HydrophobicContact CG2-CD1 4.3Å; V186-L244 HydrophobicContact CG2-CD2 4.27Å
187E95.4Very high97.2Very high134 Ų13452.7 Ų52.763%0.62626%0.255SS*.Hα-helixtrans-60.9-32.8176.3-70.4170.6-172.800112.1Q183 K184 E189Q183-E187 WeakPolarHBondContact CG-OE1 3.36Å; Q183-E187 PolarHBondContact NE2-OE1 3.1Å; Q183-E187 VanDerWaalsContact NE2-OE1 3.09Å; Q183-E187 WeakPolarHBondContact O-CG 3.46Å; Q183-E187 PolarHBondContact O-N 2.94Å; K184-E187 PolarHBondContact O-N 3.17Å; E187-E189 VanDerWaalsContact C-N 3.34Å
188E96.1Very high97.3Very high135 Ų13546.8 Ų46.863%0.63123%0.227SC*.THydrogen-bonded Turntrans-876.1177.1-67.2174.9-176.600114.4K184 V186 N190K184-E188 WeakPolarHBondContact O-CB 3.47Å; K184-E188 WeakPolarHBondContact O-CG 3.42Å; K184-E188 PolarHBondContact O-N 3.29Å; V186-E188 PolarHBondContact O-N 2.92Å; E188-N190 HydrophobicContact CB-CB 4.27Å; E188-N190 PolarHBondContact O-N 2.85Å; E188-N190 VanDerWaalsContact O-N 3.13Å
189E95.1Very high97.4Very high157 Ų15742.7 Ų42.773%0.73421%0.205SC*.THydrogen-bonded Turntrans53.130.1-173.9-58.7-174-178.300114A185 V186 E187A185-E189 PolarHBondContact O-N 3.01Å; V186-E189 PolarHBondContact O-N 2.86Å; V186-E189 VanDerWaalsContact O-N 3.1Å; E187-E189 VanDerWaalsContact C-N 3.34Å
190N95.6Very high97.4Very high10 Ų1040.9 Ų40.95%0.05320%0.196CC..  trans-115.511.2-175-165.537.1000113.1N105 K106 K107 A185 E188N105-N190 WeakPolarHBondContact CA-O 3.48Å; N105-N190 VanDerWaalsContact CG-ND2 3.34Å; N105-N190 PolarHBondContact ND2-ND2 3.23Å; N105-N190 VanDerWaalsContact ND2-ND2 3.12Å; N105-N190 PolarHBondContact OD1-ND2 3.23Å; N105-N190 PolarHBondContact OD1-OD1 3.43Å; K106-N190 PolarHBondContact N-O 3.42Å; K107-N190 WeakPolarHBondContact CD-OD1 3.3Å; K107-N190 VanDerWaalsContact CG-OD1 3.25Å; K107-N190 WeakPolarHBondContact CG-OD1 3.32Å; K107-N190 PolarHBondContact N-OD1 2.64Å; A185-N190 CarbonylContact O-C 3.5Å; A185-N190 WeakPolarHBondContact O-CA 3.31Å; A185-N190 PolarHBondContact O-N 2.91Å; E188-N190 HydrophobicContact CB-CB 4.27Å; E188-N190 PolarHBondContact O-N 2.85Å; E188-N190 VanDerWaalsContact O-N 3.13Å
191C97.7Very high97.5Very high11 Ų1136.4 Ų36.47%0.07417%0.173CC..EExtended strand (participates in β ladder)trans-102.9134.4175.1-171.60000110.7F112 A185 V186 L244F112-C191 HydrophobicContact CE2-CB 4.4Å; A185-C191 HydrophobicContact CB-CB 3.81Å; A185-C191 PolarHBondContact O-N 3Å; A185-C191 VanDerWaalsContact O-N 3.09Å; V186-C191 HydrophobicContact CB-CB 4.4Å; V186-C191 HydrophobicContact CG2-CB 3.57Å; C191-L244 HydrophobicContact CB-CD1 3.91Å; C191-L244 WeakPolarHBondContact O-CD1 3.39Å
192C97.8Very high97.5Very high4 Ų433.9 Ų33.93%0.02716%0.16CC..EExtended strand (participates in β ladder)trans-109149.1167.3-73.70000109.7T103 W104 Y210T103-C192 CarbonylContact C-O 3.19Å; T103-C192 WeakPolarHBondContact CA-O 3.43Å; T103-C192 WeakPolarHBondContact CB-O 3.47Å; W104-C192 HydrophobicContact CD2-CB 3.61Å; W104-C192 HydrophobicContact CE3-CB 4.15Å; W104-C192 HydrophobicContact CG-CB 4.1Å; W104-C192 HydrophobicContact CH2-CB 4.04Å; W104-C192 HydrophobicContact CZ2-CB 3.49Å; W104-C192 VanDerWaalsContact CZ2-CB 3.49Å; W104-C192 HydrophobicContact CZ3-CB 4.35Å; W104-C192 PolarHBondContact N-O 3.45Å; W104-C192 PolarHBondContact O-N 3.42Å; C192-Y210 HydrophobicContact CB-CE2 4.03Å
193F98.4Very high97.6Very high1 Ų136.3 Ų36.30%0.00417%0.171CC..EExtended strand (participates in β ladder)trans-122.6145174.1160.8-92.8000109.5F101 T103 T168 L172 Y210 L244 L245 P246F101-F193 HydrophobicContact CB-CE2 3.68Å; F101-F193 HydrophobicContact CB-CZ 4.21Å; F101-F193 AromaticContact CD2-CD2 3.92Å; F101-F193 HydrophobicContact CD2-CD2 3.92Å; F101-F193 AromaticContact CD2-CE2 3.54Å; F101-F193 HydrophobicContact CD2-CE2 3.54Å; F101-F193 HydrophobicContact CE2-CE2 4.44Å; F101-F193 AromaticContact CG-CE2 3.8Å; F101-F193 HydrophobicContact CG-CE2 3.8Å; T103-F193 HydrophobicContact CG2-CB 4.45Å; T103-F193 HydrophobicContact CG2-CD2 4.34Å; T168-F193 HydrophobicContact CG2-CE2 3.51Å; T168-F193 HydrophobicContact CG2-CZ 3.53Å; L172-F193 HydrophobicContact CD1-CD2 4Å; L172-F193 HydrophobicContact CD1-CE2 4.44Å; L172-F193 HydrophobicContact CD2-CD2 3.68Å; L172-F193 HydrophobicContact CD2-CE2 3.8Å; L172-F193 HydrophobicContact CD2-CG 4.22Å; L172-F193 HydrophobicContact CD2-CZ 4.45Å; L172-F193 HydrophobicContact CG-CD2 4.42Å; F193-Y210 PolarHBondContact N-OH 2.98Å; F193-Y210 VanDerWaalsContact O-CE2 3.25Å; F193-Y210 WeakPolarHBondContact O-CE2 3.26Å; F193-Y210 PolarHBondContact O-OH 3.24Å; F193-L244 HydrophobicContact CB-CD1 3.83Å; F193-L244 HydrophobicContact CB-CD2 4.3Å; F193-L244 HydrophobicContact CB-CG 3.69Å; F193-L244 PolarHBondContact N-O 3.36Å; F193-L245 HydrophobicContact CD1-CD2 3.54Å; F193-L245 HydrophobicContact CE1-CD2 3.86Å; F193-L245 HydrophobicContact CG-CD2 4.25Å; F193-P246 WeakPolarHBondContact O-CD 3.16Å
194G98.1Very high97.6Very high0 Ų032.5 Ų32.50%015%0.153CC..EExtended strand (participates in β ladder)trans-162.2148.3174.800000112.5F101 I102F101-G194 VanDerWaalsContact CA-O 3.27Å; F101-G194 WeakPolarHBondContact CA-O 3.36Å; F101-G194 WeakPolarHBondContact CB-O 3.33Å; I102-G194 PolarHBondContact N-O 2.89Å; I102-G194 PolarHBondContact O-N 2.78Å; I102-G194 VanDerWaalsContact O-N 3.1Å
195T98.6Very high97.7Very high3 Ų327.4 Ų27.42%0.01813%0.131CC..EExtended strand (participates in β ladder)trans-71.4173.1156.739.60000109.8T100 D197 T198 W199 T220T100-T195 VanDerWaalsContact O-CA 3.3Å; T100-T195 WeakPolarHBondContact O-CA 3.43Å; T195-D197 VanDerWaalsContact C-N 3.26Å; T195-D197 WeakPolarHBondContact CB-OD1 3.24Å; T195-D197 PolarHBondContact O-N 3.08Å; T195-D197 PolarHBondContact OG1-OD1 3.44Å; T195-T198 WeakPolarHBondContact O-CB 2.96Å; T195-T198 PolarHBondContact O-N 3.09Å; T195-W199 PolarHBondContact O-N 2.94Å; T195-W199 VanDerWaalsContact O-N 3.12Å; T195-T220 HydrophobicContact CG2-CG2 4.23Å
196V98.6Very high97.7Very high0 Ų031.9 Ų31.90%015%0.15CC..Hα-helixtrans-54.9-40.8-173.8179.60000112.2V26 L67 T96 Q97 T100 F115 T198 W199 L200V26-V196 HydrophobicContact CB-CG1 4.36Å; V26-V196 HydrophobicContact CG1-CG1 4Å; L67-V196 HydrophobicContact CD2-CG1 4.27Å; T96-V196 HydrophobicContact CG2-CB 4.12Å; T96-V196 HydrophobicContact CG2-CG1 3.87Å; Q97-V196 HydrophobicContact CG-CG2 4.27Å; T100-V196 HydrophobicContact CG2-CG2 3.68Å; T100-V196 PolarHBondContact O-N 3.12Å; F115-V196 HydrophobicContact CD1-CG2 4.13Å; F115-V196 HydrophobicContact CE1-CB 4.47Å; F115-V196 HydrophobicContact CE1-CG2 3.9Å; F115-V196 HydrophobicContact CZ-CG2 4.49Å; V196-T198 PolarHBondContact O-N 3.27Å; V196-W199 PolarHBondContact O-N 3.3Å; V196-L200 HydrophobicContact CG1-CD1 3.64Å; V196-L200 HydrophobicContact CG1-CG 4.21Å; V196-L200 WeakPolarHBondContact O-CB 3.42Å; V196-L200 VanDerWaalsContact O-CG 3.22Å; V196-L200 WeakPolarHBondContact O-CG 3.4Å; V196-L200 PolarHBondContact O-N 3.22Å
197D98.7Very high97.6Very high0 Ų031.8 Ų31.80%016%0.155CC..Hα-helixtrans-57.7-44.9175.263.6-52.5000112.5T96 T195 L200 L201 T212 L272T96-D197 HydrophobicContact CG2-CB 4Å; T195-D197 VanDerWaalsContact C-N 3.26Å; T195-D197 WeakPolarHBondContact CB-OD1 3.24Å; T195-D197 PolarHBondContact O-N 3.08Å; T195-D197 PolarHBondContact OG1-OD1 3.44Å; D197-L200 PolarHBondContact O-N 3Å; D197-L201 WeakPolarHBondContact O-CB 3.43Å; D197-L201 PolarHBondContact O-N 3.4Å; D197-T212 WeakPolarHBondContact OD2-CA 3.49Å; D197-T212 WeakPolarHBondContact OD2-CB 3.17Å; D197-T212 PolarHBondContact OD2-OG1 3.24Å; D197-L272 HydrophobicContact CB-CD1 4.32Å; D197-L272 HydrophobicContact CB-CD2 4.41Å
198T98.8Very high97.7Very high0 Ų030.2 Ų30.20%016%0.159CC..Hα-helixtrans-66.1-43.4-178.7-50.80000110.8W104 T195 V196 Y202 Y210 A211 T212 P246W104-T198 HydrophobicContact CH2-CG2 3.96Å; T195-T198 WeakPolarHBondContact O-CB 2.96Å; T195-T198 PolarHBondContact O-N 3.09Å; V196-T198 PolarHBondContact O-N 3.27Å; T198-Y202 WeakPolarHBondContact O-CB 3.37Å; T198-Y202 PolarHBondContact O-N 2.74Å; T198-Y210 HydrophobicContact CG2-CD2 3.76Å; T198-Y210 HydrophobicContact CG2-CE2 3.7Å; T198-A211 WeakPolarHBondContact CA-O 3.38Å; T198-A211 WeakPolarHBondContact CG2-O 3.32Å; T198-T212 WeakPolarHBondContact OG1-CB 3.31Å; T198-P246 HydrophobicContact CG2-CB 3.9Å; T198-P246 HydrophobicContact CG2-CG 4.02Å
199W98.6Very high97.8Very high1 Ų125.4 Ų25.40%0.00414%0.139CC..Hα-helixtrans-64.4-46.3177.2171.1-105.8000111.7P64 I102 W104 G109 H111 F115 T195 V196 L201 Y202 K203P64-W199 HydrophobicContact CB-CZ2 4.47Å; I102-W199 HydrophobicContact CG2-CB 3.97Å; I102-W199 HydrophobicContact CG2-CD2 4.28Å; I102-W199 HydrophobicContact CG2-CE3 4.37Å; I102-W199 HydrophobicContact CG2-CG 4.16Å; W104-W199 HydrophobicContact CB-CZ3 3.85Å; W104-W199 AromaticContact CD2-CE3 3.76Å; W104-W199 HydrophobicContact CD2-CE3 3.76Å; W104-W199 AromaticContact CD2-CZ3 3.79Å; W104-W199 HydrophobicContact CD2-CZ3 3.79Å; W104-W199 AromaticContact CE3-CE3 3.79Å; W104-W199 HydrophobicContact CE3-CE3 3.79Å; W104-W199 HydrophobicContact CE3-CZ3 4.2Å; W104-W199 HydrophobicContact CG-CE3 4.13Å; W104-W199 AromaticContact CG-CZ3 3.65Å; W104-W199 HydrophobicContact CG-CZ3 3.65Å; W104-W199 HydrophobicContact CZ3-CE3 4.19Å; G109-W199 WeakPolarHBondContact O-CH2 3.23Å; H111-W199 HydrophobicContact CB-CH2 4.43Å; F115-W199 HydrophobicContact CE1-CB 4.3Å; F115-W199 HydrophobicContact CE1-CG 4.47Å; F115-W199 AromaticContact CE2-CD1 3.85Å; F115-W199 HydrophobicContact CE2-CG 4.45Å; F115-W199 HydrophobicContact CZ-CB 3.89Å; F115-W199 AromaticContact CZ-CD1 3.36Å; F115-W199 AromaticContact CZ-CG 3.66Å; F115-W199 HydrophobicContact CZ-CG 3.66Å; F115-W199 AromaticContact CZ-NE1 3.97Å; T195-W199 PolarHBondContact O-N 2.94Å; T195-W199 VanDerWaalsContact O-N 3.12Å; V196-W199 PolarHBondContact O-N 3.3Å; W199-L201 VanDerWaalsContact C-N 3.35Å; W199-L201 PolarHBondContact O-N 2.72Å; W199-Y202 HydrophobicContact CE3-CD1 4.33Å; W199-Y202 HydrophobicContact CZ3-CD1 4.21Å; W199-Y202 WeakPolarHBondContact O-CB 3.43Å; W199-Y202 PolarHBondContact O-N 2.56Å; W199-K203 HydrophobicContact CD2-CD 4.46Å; W199-K203 HydrophobicContact CD2-CG 3.88Å; W199-K203 HydrophobicContact CE3-CG 4.32Å; W199-K203 HydrophobicContact CG-CG 4.37Å; W199-K203 HydrophobicContact CH2-CD 3.74Å; W199-K203 HydrophobicContact CH2-CG 4.23Å; W199-K203 HydrophobicContact CZ2-CD 3.52Å; W199-K203 HydrophobicContact CZ2-CG 3.76Å; W199-K203 HydrophobicContact CZ3-CD 4.26Å; W199-K203 HydrophobicContact CZ3-CG 4.46Å; W199-K203 VanDerWaalsContact O-CG 3.31Å; W199-K203 WeakPolarHBondContact O-CG 3.26Å; W199-K203 PolarHBondContact O-N 2.9Å
200L98.6Very high97.9Very high1 Ų120.5 Ų20.51%0.00511%0.114CC..Hα-helixtrans-64.7-40.7179.7-69.1170.3000111.5V26 W68 F71 I94 T96 V196 D197 K203 L204V26-L200 HydrophobicContact CG2-CD1 3.71Å; W68-L200 HydrophobicContact CE3-CD2 3.92Å; W68-L200 HydrophobicContact CZ3-CD2 4.17Å; F71-L200 HydrophobicContact CB-CD2 4.41Å; F71-L200 HydrophobicContact CD1-CD2 4.23Å; F71-L200 HydrophobicContact CD2-CD1 3.84Å; F71-L200 HydrophobicContact CD2-CD2 3.82Å; F71-L200 HydrophobicContact CD2-CG 4.43Å; F71-L200 HydrophobicContact CE2-CD1 3.68Å; F71-L200 HydrophobicContact CE2-CD2 4.09Å; F71-L200 HydrophobicContact CE2-CG 4.34Å; F71-L200 HydrophobicContact CG-CD2 3.89Å; F71-L200 HydrophobicContact CZ-CD1 4.49Å; F71-L200 HydrophobicContact CZ-CD2 4.46Å; I94-L200 HydrophobicContact CG2-CD1 4.4Å; T96-L200 HydrophobicContact CG2-CD1 4.13Å; V196-L200 HydrophobicContact CG1-CD1 3.64Å; V196-L200 HydrophobicContact CG1-CG 4.21Å; V196-L200 WeakPolarHBondContact O-CB 3.42Å; V196-L200 VanDerWaalsContact O-CG 3.22Å; V196-L200 WeakPolarHBondContact O-CG 3.4Å; V196-L200 PolarHBondContact O-N 3.22Å; D197-L200 PolarHBondContact O-N 3Å; L200-K203 PolarHBondContact O-N 2.65Å; L200-L204 VanDerWaalsContact O-CB 3.31Å; L200-L204 WeakPolarHBondContact O-CB 3.37Å; L200-L204 VanDerWaalsContact O-CG 3.25Å; L200-L204 WeakPolarHBondContact O-CG 3.48Å; L200-L204 PolarHBondContact O-N 3.34Å
201L98.7Very high98Very high0 Ų020.2 Ų20.20%011%0.113CC..Hα-helixtrans-60.4-46.417317761.1000111.2D197 W199 K203 L204 T205 V209 A211 F255 I269 L272D197-L201 WeakPolarHBondContact O-CB 3.43Å; D197-L201 PolarHBondContact O-N 3.4Å; W199-L201 VanDerWaalsContact C-N 3.35Å; W199-L201 PolarHBondContact O-N 2.72Å; L201-K203 VanDerWaalsContact C-N 3.34Å; L201-K203 PolarHBondContact O-N 2.74Å; L201-L204 PolarHBondContact O-N 3.03Å; L201-T205 HydrophobicContact CD1-CG2 3.75Å; L201-T205 WeakPolarHBondContact O-CB 3.22Å; L201-T205 VanDerWaalsContact O-CG2 3.32Å; L201-T205 WeakPolarHBondContact O-CG2 3.41Å; L201-T205 PolarHBondContact O-N 3.02Å; L201-T205 PolarHBondContact O-OG1 2.85Å; L201-V209 HydrophobicContact CD1-CB 4.42Å; L201-V209 HydrophobicContact CD1-CG1 4.38Å; L201-V209 HydrophobicContact CD2-CB 4.4Å; L201-V209 HydrophobicContact CD2-CG1 3.69Å; L201-V209 HydrophobicContact CG-CB 4.26Å; L201-V209 HydrophobicContact CG-CG1 4.09Å; L201-A211 HydrophobicContact CD2-CB 4.11Å; L201-F255 HydrophobicContact CD1-CB 3.72Å; L201-F255 HydrophobicContact CD2-CB 4.02Å; L201-F255 HydrophobicContact CD2-CD1 3.62Å; L201-F255 HydrophobicContact CD2-CE1 4.38Å; L201-F255 HydrophobicContact CD2-CG 4.08Å; L201-I269 HydrophobicContact CD1-CB 4.49Å; L201-I269 HydrophobicContact CD1-CD1 3.83Å; L201-I269 HydrophobicContact CD1-CG2 4.11Å; L201-L272 HydrophobicContact CB-CD1 4.31Å; L201-L272 HydrophobicContact CD2-CD1 3.8Å
202Y98.4Very high98.1Very high27 Ų2719.8 Ų19.811%0.10611%0.11CC..Hα-helixtrans-58.2-45.5176178.2-89.2000111.4W104 K106 T198 W199 T205 K206 G207 V209W104-Y202 AromaticContact CD1-CE1 3.95Å; W104-Y202 AromaticContact CD1-CZ 3.99Å; W104-Y202 HydrophobicContact CZ2-CD1 4.48Å; W104-Y202 HydrophobicContact CZ2-CD2 4.06Å; W104-Y202 AromaticContact CZ2-CG 3.98Å; W104-Y202 HydrophobicContact CZ2-CG 3.98Å; W104-Y202 AromaticContact NE1-CD1 3.76Å; W104-Y202 AromaticContact NE1-CD2 3.76Å; W104-Y202 AromaticContact NE1-CE1 3.55Å; W104-Y202 AromaticContact NE1-CE2 3.55Å; W104-Y202 AromaticContact NE1-CG 3.88Å; W104-Y202 AromaticContact NE1-CZ 3.46Å; K106-Y202 PolarHBondContact O-OH 3.28Å; T198-Y202 WeakPolarHBondContact O-CB 3.37Å; T198-Y202 PolarHBondContact O-N 2.74Å; W199-Y202 HydrophobicContact CE3-CD1 4.33Å; W199-Y202 HydrophobicContact CZ3-CD1 4.21Å; W199-Y202 WeakPolarHBondContact O-CB 3.43Å; W199-Y202 PolarHBondContact O-N 2.56Å; Y202-T205 PolarHBondContact O-N 3.43Å; Y202-T205 PolarHBondContact O-OG1 3.45Å; Y202-K206 PolarHBondContact O-N 2.87Å; Y202-K206 VanDerWaalsContact O-N 3.12Å; Y202-G207 VanDerWaalsContact CD2-CA 3.49Å; Y202-G207 PolarHBondContact O-N 3.29Å; Y202-V209 WeakPolarHBondContact CA-O 3.35Å
203K98.1Very high98.1Very high52 Ų5219.6 Ų19.623%0.22611%0.108CC..Hα-helixtrans-67.6-43.8179.4-68.8-71.7-75.4-164.80112.7W68 W199 L200 L201 T205 K206W68-K203 HydrophobicContact CD2-CB 4.21Å; W68-K203 HydrophobicContact CE3-CB 3.74Å; W68-K203 HydrophobicContact CE3-CG 4.32Å; W68-K203 HydrophobicContact CH2-CB 3.64Å; W68-K203 HydrophobicContact CZ2-CB 4.11Å; W68-K203 HydrophobicContact CZ3-CB 3.45Å; W68-K203 VanDerWaalsContact CZ3-CB 3.45Å; W68-K203 HydrophobicContact CZ3-CG 4.47Å; W199-K203 HydrophobicContact CD2-CD 4.46Å; W199-K203 HydrophobicContact CD2-CG 3.88Å; W199-K203 HydrophobicContact CE3-CG 4.32Å; W199-K203 HydrophobicContact CG-CG 4.37Å; W199-K203 HydrophobicContact CH2-CD 3.74Å; W199-K203 HydrophobicContact CH2-CG 4.23Å; W199-K203 HydrophobicContact CZ2-CD 3.52Å; W199-K203 HydrophobicContact CZ2-CG 3.76Å; W199-K203 HydrophobicContact CZ3-CD 4.26Å; W199-K203 HydrophobicContact CZ3-CG 4.46Å; W199-K203 VanDerWaalsContact O-CG 3.31Å; W199-K203 WeakPolarHBondContact O-CG 3.26Å; W199-K203 PolarHBondContact O-N 2.9Å; L200-K203 PolarHBondContact O-N 2.65Å; L201-K203 VanDerWaalsContact C-N 3.34Å; L201-K203 PolarHBondContact O-N 2.74Å; K203-T205 VanDerWaalsContact C-N 3.26Å; K203-T205 PolarHBondContact O-N 3.12Å; K203-K206 PolarHBondContact O-N 2.83Å
204L98.4Very high98.1Very high0 Ų020.2 Ų20.20%011%0.111CC..Hα-helixtrans-64.3-32.4178.8-75.8167.5000112.8W68 F71 L92 I94 L200 L201 V258 D259 I262 F263 I269W68-L204 HydrophobicContact CH2-CD2 3.71Å; W68-L204 HydrophobicContact CH2-CG 3.89Å; W68-L204 HydrophobicContact CZ3-CD2 4.14Å; W68-L204 HydrophobicContact CZ3-CG 4.01Å; F71-L204 HydrophobicContact CE1-CD1 3.97Å; F71-L204 HydrophobicContact CE1-CD2 3.95Å; F71-L204 HydrophobicContact CE1-CG 4.2Å; F71-L204 HydrophobicContact CZ-CD1 3.93Å; L92-L204 HydrophobicContact CD2-CD1 4.28Å; I94-L204 HydrophobicContact CD1-CD1 3.6Å; L200-L204 VanDerWaalsContact O-CB 3.31Å; L200-L204 WeakPolarHBondContact O-CB 3.37Å; L200-L204 VanDerWaalsContact O-CG 3.25Å; L200-L204 WeakPolarHBondContact O-CG 3.48Å; L200-L204 PolarHBondContact O-N 3.34Å; L201-L204 PolarHBondContact O-N 3.03Å; L204-V258 HydrophobicContact CB-CG1 4.39Å; L204-V258 HydrophobicContact CB-CG2 4.34Å; L204-V258 HydrophobicContact CD1-CG2 4.46Å; L204-V258 HydrophobicContact CD2-CB 4.38Å; L204-V258 HydrophobicContact CD2-CG1 3.63Å; L204-V258 HydrophobicContact CD2-CG2 3.87Å; L204-V258 HydrophobicContact CG-CG2 4.46Å; L204-V258 WeakPolarHBondContact O-CA 3.48Å; L204-D259 WeakPolarHBondContact O-CB 3.48Å; L204-D259 PolarHBondContact O-N 2.94Å; L204-I262 HydrophobicContact CD2-CD1 4.31Å; L204-I262 WeakPolarHBondContact O-CD1 3.42Å; L204-F263 HydrophobicContact CD2-CE2 4.2Å; L204-I269 HydrophobicContact CB-CD1 3.73Å; L204-I269 HydrophobicContact CD1-CD1 4.01Å; L204-I269 HydrophobicContact CG-CD1 4.49Å
205T98.2Very high98.2Very high5 Ų520.2 Ų20.23%0.03111%0.111CC..THydrogen-bonded Turntrans-999.7-178.564.20000112.8L201 Y202 K203 G207 S208 V209 I269L201-T205 HydrophobicContact CD1-CG2 3.75Å; L201-T205 WeakPolarHBondContact O-CB 3.22Å; L201-T205 VanDerWaalsContact O-CG2 3.32Å; L201-T205 WeakPolarHBondContact O-CG2 3.41Å; L201-T205 PolarHBondContact O-N 3.02Å; L201-T205 PolarHBondContact O-OG1 2.85Å; Y202-T205 PolarHBondContact O-N 3.43Å; Y202-T205 PolarHBondContact O-OG1 3.45Å; K203-T205 VanDerWaalsContact C-N 3.26Å; K203-T205 PolarHBondContact O-N 3.12Å; T205-G207 PolarHBondContact O-N 3.26Å; T205-G207 VanDerWaalsContact O-N 3.15Å; T205-S208 WeakPolarHBondContact CB-OG 3.46Å; T205-S208 WeakPolarHBondContact O-CB 3.42Å; T205-S208 PolarHBondContact O-N 2.76Å; T205-S208 PolarHBondContact O-OG 2.98Å; T205-V209 HydrophobicContact CG2-CB 4.08Å; T205-V209 HydrophobicContact CG2-CG2 3.99Å; T205-V209 PolarHBondContact OG1-N 3.32Å; T205-I269 HydrophobicContact CG2-CD1 3.84Å
206K96.6Very high98.1Very high99 Ų9920.1 Ų20.143%0.4311%0.11SC..THydrogen-bonded Turntrans45.841.6-174.1-71.1-170.5179.5156.60114.1Y202 K203 S208 D259 E261Y202-K206 PolarHBondContact O-N 2.87Å; Y202-K206 VanDerWaalsContact O-N 3.12Å; K203-K206 PolarHBondContact O-N 2.83Å; K206-S208 VanDerWaalsContact C-N 3.32Å; K206-S208 PolarHBondContact O-N 3.33Å; K206-D259 HydrophobicContact CD-CB 4.13Å; K206-D259 WeakPolarHBondContact CE-OD1 3.23Å; K206-D259 HydrophobicContact CG-CB 3.97Å; K206-D259 IonicContact NZ-OD1 2.76Å; K206-D259 PolarHBondContact NZ-OD1 3.15Å; K206-D259 IonicContact NZ-OD2 3.14Å; K206-E261 IonicContact NZ-OE1 3.61Å; K206-E261 PolarHBondContact NZ-OE1 2.96Å; K206-E261 IonicContact NZ-OE2 3.84Å; K206-E261 PolarHBondContact NZ-OE2 3.41Å
207G96Very high98.1Very high28 Ų2820.1 Ų20.129%0.28911%0.11SC..THydrogen-bonded Turntrans813.4176.200000115.7Y202 T205 V209Y202-G207 VanDerWaalsContact CD2-CA 3.49Å; Y202-G207 PolarHBondContact O-N 3.29Å; T205-G207 PolarHBondContact O-N 3.26Å; T205-G207 VanDerWaalsContact O-N 3.15Å; G207-V209 PolarHBondContact O-N 3.08Å
208S96.3Very high98.1Very high100 Ų10020.4 Ų20.470%0.69911%0.112SC*.SBendtrans-69.8-22.9174.263.30000112.9T205 K206T205-S208 WeakPolarHBondContact CB-OG 3.46Å; T205-S208 WeakPolarHBondContact O-CB 3.42Å; T205-S208 PolarHBondContact O-N 2.76Å; T205-S208 PolarHBondContact O-OG 2.98Å; K206-S208 VanDerWaalsContact C-N 3.32Å; K206-S208 PolarHBondContact O-N 3.33Å
209V97.9Very high97.9Very high35 Ų3521 Ų2121%0.21212%0.116CC..  trans-126.1129.9178.6-169.90000111.5L201 Y202 T205 G207 A211 F255L201-V209 HydrophobicContact CD1-CB 4.42Å; L201-V209 HydrophobicContact CD1-CG1 4.38Å; L201-V209 HydrophobicContact CD2-CB 4.4Å; L201-V209 HydrophobicContact CD2-CG1 3.69Å; L201-V209 HydrophobicContact CG-CB 4.26Å; L201-V209 HydrophobicContact CG-CG1 4.09Å; Y202-V209 WeakPolarHBondContact CA-O 3.35Å; T205-V209 HydrophobicContact CG2-CB 4.08Å; T205-V209 HydrophobicContact CG2-CG2 3.99Å; T205-V209 PolarHBondContact OG1-N 3.32Å; G207-V209 PolarHBondContact O-N 3.08Å; V209-A211 HydrophobicContact CG1-CB 4.42Å; V209-F255 WeakPolarHBondContact CG2-O 3.43Å
210Y97.8Very high97.8Very high54 Ų5421 Ų2121%0.21212%0.116CC..  trans-128.8102.7174.4176.2-126.4000108.2W104 C192 F193 T198 L244 P246 P247W104-Y210 HydrophobicContact CH2-CD2 4.12Å; W104-Y210 AromaticContact CH2-CE2 3.68Å; W104-Y210 HydrophobicContact CH2-CE2 3.68Å; W104-Y210 AromaticContact CZ2-CD2 3.79Å; W104-Y210 HydrophobicContact CZ2-CD2 3.79Å; W104-Y210 AromaticContact CZ2-CE2 3.68Å; W104-Y210 HydrophobicContact CZ2-CE2 3.68Å; C192-Y210 HydrophobicContact CB-CE2 4.03Å; F193-Y210 PolarHBondContact N-OH 2.98Å; F193-Y210 VanDerWaalsContact O-CE2 3.25Å; F193-Y210 WeakPolarHBondContact O-CE2 3.26Å; F193-Y210 PolarHBondContact O-OH 3.24Å; T198-Y210 HydrophobicContact CG2-CD2 3.76Å; T198-Y210 HydrophobicContact CG2-CE2 3.7Å; Y210-L244 PolarHBondContact OH-O 3.36Å; Y210-P246 HydrophobicContact CD1-CB 4.32Å; Y210-P246 HydrophobicContact CD2-CB 4.13Å; Y210-P246 HydrophobicContact CE1-CB 3.93Å; Y210-P246 HydrophobicContact CE2-CB 3.71Å; Y210-P246 HydrophobicContact CE2-CG 4.45Å; Y210-P246 HydrophobicContact CG-CB 4.43Å; Y210-P247 WeakPolarHBondContact O-CD 3.49Å
211A98.6Very high97.7Very high4 Ų421 Ų213%0.03312%0.117CC..  trans-161.5159.7-177.400000111.5T198 L201 V209 P247 R249 F255T198-A211 WeakPolarHBondContact CA-O 3.38Å; T198-A211 WeakPolarHBondContact CG2-O 3.32Å; L201-A211 HydrophobicContact CD2-CB 4.11Å; V209-A211 HydrophobicContact CG1-CB 4.42Å; A211-P247 VanDerWaalsContact CA-O 3.28Å; A211-P247 WeakPolarHBondContact CA-O 3.38Å; A211-R249 HydrophobicContact CB-CG 4.07Å; A211-F255 HydrophobicContact CB-CD1 4.25Å; A211-F255 HydrophobicContact CB-CE1 4.19Å
212T98.8Very high97.6Very high1 Ų121 Ų211%0.00612%0.117CC..EExtended strand (participates in β ladder)trans-129.4171.7168.1-171.20000109.5D197 T198 N216 A217 W230 P246 P247 V248 R249D197-T212 WeakPolarHBondContact OD2-CA 3.49Å; D197-T212 WeakPolarHBondContact OD2-CB 3.17Å; D197-T212 PolarHBondContact OD2-OG1 3.24Å; T198-T212 WeakPolarHBondContact OG1-CB 3.31Å; T212-N216 WeakPolarHBondContact OG1-CB 3.43Å; T212-A217 HydrophobicContact CG2-CB 4.04Å; T212-W230 HydrophobicContact CG2-CH2 4.47Å; T212-W230 HydrophobicContact CG2-CZ2 3.95Å; T212-P246 HydrophobicContact CG2-CB 4.5Å; T212-P246 HydrophobicContact CG2-CG 3.88Å; T212-P247 PolarHBondContact N-O 2.71Å; T212-V248 HydrophobicContact CG2-CB 4.49Å; T212-V248 HydrophobicContact CG2-CG1 4.47Å; T212-V248 HydrophobicContact CG2-CG2 3.99Å; T212-V248 CarbonylContact O-C 3.57Å; T212-V248 WeakPolarHBondContact O-CA 3.32Å; T212-R249 PolarHBondContact O-N 2.91Å
213D98.7Very high97.5Very high0 Ų020.4 Ų20.40%012%0.115CC..EExtended strand (participates in β ladder)trans-99.6168171.397.7-62.9000113.2S215 N216 A217 R249 T251 L272D213-S215 VanDerWaalsContact C-N 3.29Å; D213-S215 PolarHBondContact O-N 2.81Å; D213-S215 PolarHBondContact OD1-OG 3.42Å; D213-S215 VanDerWaalsContact OD2-CB 3.24Å; D213-S215 WeakPolarHBondContact OD2-CB 3.25Å; D213-S215 PolarHBondContact OD2-N 3.36Å; D213-S215 PolarHBondContact OD2-OG 3.42Å; D213-N216 WeakPolarHBondContact OD1-CB 3.44Å; D213-N216 PolarHBondContact OD1-N 3.16Å; D213-N216 PolarHBondContact OD1-ND2 2.76Å; D213-A217 VanDerWaalsContact O-CB 3.26Å; D213-A217 WeakPolarHBondContact O-CB 3.39Å; D213-A217 PolarHBondContact O-N 2.78Å; D213-R249 WeakPolarHBondContact CA-O 3.36Å; D213-T251 PolarHBondContact OD2-OG1 3.35Å; D213-L272 HydrophobicContact CB-CB 4.02Å; D213-L272 VanDerWaalsContact CB-O 3.26Å; D213-L272 WeakPolarHBondContact CB-O 3.33Å
214F98.6Very high97.4Very high15 Ų1518.5 Ų18.57%0.06611%0.107CC..Hα-helixtrans-60.7-35.5179.3-73.6-78.7000114S218 F223 M228 V248 R249 I320 K323F214-S218 VanDerWaalsContact O-CB 3.3Å; F214-S218 WeakPolarHBondContact O-CB 3.47Å; F214-S218 PolarHBondContact O-N 3.01Å; F214-S218 PolarHBondContact O-OG 3.41Å; F214-F223 HydrophobicContact CD1-CE1 4.32Å; F214-F223 HydrophobicContact CD1-CE2 4.16Å; F214-F223 AromaticContact CD1-CZ 3.51Å; F214-F223 HydrophobicContact CD1-CZ 3.51Å; F214-F223 HydrophobicContact CE1-CE2 4.31Å; F214-F223 AromaticContact CE1-CZ 3.84Å; F214-F223 HydrophobicContact CE1-CZ 3.84Å; F214-M228 HydrophobicContact CB-CE 4.46Å; F214-M228 HydrophobicContact CD1-CE 3.42Å; F214-M228 VanDerWaalsContact CD1-CE 3.42Å; F214-M228 HydrophobicContact CD1-SD 4.37Å; F214-M228 HydrophobicContact CE1-CB 3.94Å; F214-M228 HydrophobicContact CE1-CE 3.74Å; F214-M228 HydrophobicContact CG-CE 3.91Å; F214-M228 HydrophobicContact CZ-CE 4.47Å; F214-V248 HydrophobicContact CB-CG1 4.38Å; F214-V248 HydrophobicContact CD1-CG1 3.59Å; F214-V248 HydrophobicContact CD2-CG1 4.06Å; F214-V248 HydrophobicContact CE1-CB 4.38Å; F214-V248 HydrophobicContact CE1-CG1 3.69Å; F214-V248 HydrophobicContact CE2-CG1 4.13Å; F214-V248 HydrophobicContact CG-CG1 3.78Å; F214-V248 HydrophobicContact CZ-CG1 3.97Å; F214-R249 WeakPolarHBondContact CD2-O 3.44Å; F214-R249 VanDerWaalsContact CE2-C 3.41Å; F214-R249 VanDerWaalsContact CE2-O 3.23Å; F214-R249 WeakPolarHBondContact CE2-O 3.27Å; F214-R249 PolarHBondContact N-O 3.22Å; F214-I320 HydrophobicContact CB-CB 4.29Å; F214-I320 HydrophobicContact CB-CG2 3.79Å; F214-K323 HydrophobicContact CB-CB 4.43Å; F214-K323 HydrophobicContact CD2-CB 3.61Å; F214-K323 HydrophobicContact CD2-CD 3.69Å; F214-K323 HydrophobicContact CD2-CG 4.23Å; F214-K323 HydrophobicContact CE1-CD 4.49Å; F214-K323 HydrophobicContact CE2-CB 4.21Å; F214-K323 HydrophobicContact CE2-CD 3.41Å; F214-K323 VanDerWaalsContact CE2-CD 3.41Å; F214-K323 HydrophobicContact CE2-CG 4.34Å; F214-K323 HydrophobicContact CG-CB 4.13Å; F214-K323 HydrophobicContact CG-CD 4.36Å; F214-K323 HydrophobicContact CZ-CD 3.84Å
215S98.4Very high97.2Very high0 Ų019.9 Ų19.90%012%0.116CC..Hα-helixtrans-68.2-49.9-178.5700000111.1D213 S218 T219 V273 A274 I320 G321D213-S215 VanDerWaalsContact C-N 3.29Å; D213-S215 PolarHBondContact O-N 2.81Å; D213-S215 PolarHBondContact OD1-OG 3.42Å; D213-S215 VanDerWaalsContact OD2-CB 3.24Å; D213-S215 WeakPolarHBondContact OD2-CB 3.25Å; D213-S215 PolarHBondContact OD2-N 3.36Å; D213-S215 PolarHBondContact OD2-OG 3.42Å; S215-S218 PolarHBondContact O-N 3.25Å; S215-S218 PolarHBondContact O-OG 2.9Å; S215-T219 WeakPolarHBondContact O-CG2 3.48Å; S215-V273 WeakPolarHBondContact OG-CA 3.44Å; S215-A274 WeakPolarHBondContact OG-CB 3.4Å; S215-A274 PolarHBondContact OG-N 2.88Å; S215-I320 WeakPolarHBondContact CA-O 3.45Å; S215-G321 WeakPolarHBondContact CB-O 3.49Å
216N98.4Very high96.9Very high0 Ų023.1 Ų23.10%013%0.129CC..Hα-helixtrans-61.8-47.9174.6-78.4-67.3000111.7T96 T212 D213 S218 T219 V273 A274T96-N216 PolarHBondContact OG1-OD1 3.13Å; T212-N216 WeakPolarHBondContact OG1-CB 3.43Å; D213-N216 WeakPolarHBondContact OD1-CB 3.44Å; D213-N216 PolarHBondContact OD1-N 3.16Å; D213-N216 PolarHBondContact OD1-ND2 2.76Å; N216-S218 VanDerWaalsContact C-N 3.27Å; N216-S218 PolarHBondContact O-N 3.43Å; N216-T219 PolarHBondContact O-N 3.48Å; N216-T219 VanDerWaalsContact O-N 3.11Å; N216-T219 PolarHBondContact O-OG1 2.76Å; N216-V273 VanDerWaalsContact ND2-C 3.25Å; N216-V273 PolarHBondContact ND2-O 2.8Å; N216-A274 PolarHBondContact ND2-N 2.88Å
217A98.4Very high96.9Very high0 Ų024.4 Ų24.40%013%0.134CC..Hα-helixtrans-55.6-41.717900000112.6T212 D213 T219 T220 F223 W230 V248T212-A217 HydrophobicContact CG2-CB 4.04Å; D213-A217 VanDerWaalsContact O-CB 3.26Å; D213-A217 WeakPolarHBondContact O-CB 3.39Å; D213-A217 PolarHBondContact O-N 2.78Å; A217-T219 PolarHBondContact O-N 3.15Å; A217-T219 VanDerWaalsContact O-N 3.13Å; A217-T220 WeakPolarHBondContact O-CB 3.3Å; A217-T220 WeakPolarHBondContact O-CG2 3.42Å; A217-T220 PolarHBondContact O-N 3.17Å; A217-T220 PolarHBondContact O-OG1 2.63Å; A217-F223 HydrophobicContact CB-CB 4.47Å; A217-F223 HydrophobicContact CB-CD2 3.79Å; A217-F223 HydrophobicContact CB-CE2 4.23Å; A217-F223 HydrophobicContact CB-CG 4.16Å; A217-F223 WeakPolarHBondContact O-CB 3.27Å; A217-W230 HydrophobicContact CB-CH2 3.61Å; A217-W230 HydrophobicContact CB-CZ2 4.07Å; A217-W230 HydrophobicContact CB-CZ3 4.09Å; A217-V248 HydrophobicContact CB-CG1 4.08Å; A217-V248 HydrophobicContact CB-CG2 4.02Å
218S97.1Very high96.9Very high6 Ų625.2 Ų25.24%0.04213%0.131CC..Hα-helixtrans-62.8-20.1-177.874.50000114.4F214 S215 N216 I320F214-S218 VanDerWaalsContact O-CB 3.3Å; F214-S218 WeakPolarHBondContact O-CB 3.47Å; F214-S218 PolarHBondContact O-N 3.01Å; F214-S218 PolarHBondContact O-OG 3.41Å; S215-S218 PolarHBondContact O-N 3.25Å; S215-S218 PolarHBondContact O-OG 2.9Å; N216-S218 VanDerWaalsContact C-N 3.27Å; N216-S218 PolarHBondContact O-N 3.43Å; S218-I320 PolarHBondContact OG-N 3.11Å
219T95.1Very high96.9Very high13 Ų1323.1 Ų23.18%0.0812%0.115CC..Hα-helixtrans-87.8-13-177.770.30000113.4R98 S215 N216 A217 G221 L319R98-T219 HydrophobicContact CB-CG2 3.99Å; R98-T219 HydrophobicContact CG-CG2 3.94Å; S215-T219 WeakPolarHBondContact O-CG2 3.48Å; N216-T219 PolarHBondContact O-N 3.48Å; N216-T219 VanDerWaalsContact O-N 3.11Å; N216-T219 PolarHBondContact O-OG1 2.76Å; A217-T219 PolarHBondContact O-N 3.15Å; A217-T219 VanDerWaalsContact O-N 3.13Å; T219-G221 VanDerWaalsContact C-N 3.28Å; T219-G221 PolarHBondContact O-N 2.86Å; T219-L319 HydrophobicContact CG2-CD2 3.77Å
220T96.9Very high96.9Very high0 Ų023 Ų230%011%0.111CC..SBendtrans-71.8-19.4-171.960.70000114T168 S169 T195 A217 L222 W230T168-T220 PolarHBondContact N-O 3.31Å; S169-T220 PolarHBondContact N-O 2.93Å; T195-T220 HydrophobicContact CG2-CG2 4.23Å; A217-T220 WeakPolarHBondContact O-CB 3.3Å; A217-T220 WeakPolarHBondContact O-CG2 3.42Å; A217-T220 PolarHBondContact O-N 3.17Å; A217-T220 PolarHBondContact O-OG1 2.63Å; T220-L222 PolarHBondContact O-N 3.11Å; T220-L222 PolarHBondContact OG1-N 3.13Å; T220-W230 HydrophobicContact CG2-CH2 4.14Å; T220-W230 HydrophobicContact CG2-CZ3 4.18Å; T220-W230 WeakPolarHBondContact OG1-CZ3 3.49Å
221G95.6Very high96.9Very high3 Ų320.9 Ų20.93%0.03110%0.104CC..SBendtrans71.97.7-166.400000114.2T219T219-G221 VanDerWaalsContact C-N 3.28Å; T219-G221 PolarHBondContact O-N 2.86Å
222L97.1Very high96.8Very high0 Ų022.4 Ų22.40%012%0.121CC..  trans-111.2-6.4178.1-59.7176.3000112.9L172 T220 W230 S231 I234 T235 I238 I240 L245L172-L222 HydrophobicContact CD2-CD1 4.34Å; T220-L222 PolarHBondContact O-N 3.11Å; T220-L222 PolarHBondContact OG1-N 3.13Å; L222-W230 HydrophobicContact CB-CE3 4.01Å; L222-W230 HydrophobicContact CB-CZ3 4.06Å; L222-S231 WeakPolarHBondContact O-CB 3.15Å; L222-S231 PolarHBondContact O-N 3.04Å; L222-I234 HydrophobicContact CD2-CG2 4.21Å; L222-T235 HydrophobicContact CB-CG2 4.47Å; L222-T235 HydrophobicContact CD2-CG2 4.27Å; L222-I238 HydrophobicContact CD2-CD1 3.77Å; L222-I240 HydrophobicContact CD1-CD1 4.16Å; L222-I240 HydrophobicContact CD2-CD1 3.9Å; L222-L245 HydrophobicContact CD1-CD2 4.03Å
223F97.3Very high96.5Very high14 Ų1426.5 Ų26.56%0.06114%0.142CC..EExtended strand (participates in β ladder)trans-97.7140.6-175.3-172.7-100.4000111.8F214 A217 P225 M228 C229 W230 V248 I320F214-F223 HydrophobicContact CD1-CE1 4.32Å; F214-F223 HydrophobicContact CD1-CE2 4.16Å; F214-F223 AromaticContact CD1-CZ 3.51Å; F214-F223 HydrophobicContact CD1-CZ 3.51Å; F214-F223 HydrophobicContact CE1-CE2 4.31Å; F214-F223 AromaticContact CE1-CZ 3.84Å; F214-F223 HydrophobicContact CE1-CZ 3.84Å; A217-F223 HydrophobicContact CB-CB 4.47Å; A217-F223 HydrophobicContact CB-CD2 3.79Å; A217-F223 HydrophobicContact CB-CE2 4.23Å; A217-F223 HydrophobicContact CB-CG 4.16Å; A217-F223 WeakPolarHBondContact O-CB 3.27Å; F223-P225 HydrophobicContact CD1-CB 4.38Å; F223-P225 HydrophobicContact CE1-CB 4.38Å; F223-P225 VanDerWaalsContact O-CD 3.3Å; F223-P225 WeakPolarHBondContact O-CD 3.44Å; F223-M228 HydrophobicContact CE1-SD 4.29Å; F223-M228 VanDerWaalsContact CZ-CA 3.48Å; F223-M228 HydrophobicContact CZ-CB 4.4Å; F223-M228 HydrophobicContact CZ-SD 4.41Å; F223-C229 WeakPolarHBondContact CD2-O 3.45Å; F223-C229 VanDerWaalsContact CE2-C 3.48Å; F223-W230 HydrophobicContact CB-CE3 4.07Å; F223-W230 HydrophobicContact CB-CZ3 4.03Å; F223-W230 HydrophobicContact CD2-CD2 4.42Å; F223-W230 HydrophobicContact CD2-CE3 4.11Å; F223-W230 HydrophobicContact CD2-CZ3 4.37Å; F223-V248 HydrophobicContact CD2-CG2 4.45Å; F223-V248 HydrophobicContact CE2-CG1 4.3Å; F223-V248 HydrophobicContact CE2-CG2 4.14Å; F223-I320 HydrophobicContact CE1-CG1 4.12Å
224D95.6Very high96.3Very high12 Ų1227.2 Ų27.26%0.06415%0.145CC..EExtended strand (participates in β ladder)trans-98.1101.4173.1-172.5-28.5000109.7R154 Y226 K227 M228 C229R154-D224 IonicContact CZ-OD2 3.44Å; R154-D224 IonicContact NE-OD1 3.09Å; R154-D224 IonicContact NE-OD2 2.81Å; R154-D224 PolarHBondContact NE-OD2 2.8Å; R154-D224 IonicContact NH2-OD2 3.14Å; R154-D224 PolarHBondContact NH2-OD2 3.24Å; D224-Y226 PolarHBondContact O-N 3.38Å; D224-Y226 WeakPolarHBondContact OD1-CB 3.39Å; D224-Y226 PolarHBondContact OD1-N 3.21Å; D224-K227 HydrophobicContact CB-CB 4.22Å; D224-K227 PolarHBondContact O-N 2.7Å; D224-K227 PolarHBondContact OD1-N 2.73Å; D224-K227 VanDerWaalsContact OD1-N 3.17Å; D224-M228 WeakPolarHBondContact O-CA 3.35Å; D224-M228 PolarHBondContact O-N 3.18Å; D224-C229 WeakPolarHBondContact CB-O 3.47Å; D224-C229 PolarHBondContact N-O 3.21Å; D224-C229 PolarHBondContact O-N 3.2Å
225P93.9Very high96.2Very high29 Ų2926.6 Ų26.619%0.18814%0.143CC..THydrogen-bonded Turntrans-71.7-15.3-176.331.1-37000113.3F223 M228 L309 I320F223-P225 HydrophobicContact CD1-CB 4.38Å; F223-P225 HydrophobicContact CE1-CB 4.38Å; F223-P225 VanDerWaalsContact O-CD 3.3Å; F223-P225 WeakPolarHBondContact O-CD 3.44Å; P225-M228 VanDerWaalsContact O-SD 3.4Å; P225-L309 HydrophobicContact CB-CD1 3.74Å; P225-L309 HydrophobicContact CB-CD2 3.87Å; P225-L309 HydrophobicContact CB-CG 4.47Å; P225-L309 HydrophobicContact CG-CD1 3.92Å; P225-L309 HydrophobicContact CG-CD2 4.29Å; P225-I320 HydrophobicContact CB-CD1 3.9Å; P225-I320 HydrophobicContact CB-CG1 4.31Å
226Y93.1Very high96.1Very high73 Ų7331 Ų3129%0.28617%0.173SC..THydrogen-bonded Turntrans-80.7-31.9175-67.5-90.8000112K153 R154 A157 D224 L309K153-Y226 HydrophobicContact CB-CE1 3.91Å; R154-Y226 HydrophobicContact CB-CD1 3.98Å; R154-Y226 HydrophobicContact CB-CD2 3.96Å; R154-Y226 HydrophobicContact CB-CE1 4.44Å; R154-Y226 HydrophobicContact CB-CE2 4.44Å; R154-Y226 HydrophobicContact CB-CG 3.72Å; R154-Y226 HydrophobicContact CG-CD2 3.87Å; R154-Y226 HydrophobicContact CG-CG 3.88Å; A157-Y226 HydrophobicContact CB-CE2 3.62Å; D224-Y226 PolarHBondContact O-N 3.38Å; D224-Y226 WeakPolarHBondContact OD1-CB 3.39Å; D224-Y226 PolarHBondContact OD1-N 3.21Å; Y226-L309 HydrophobicContact CD1-CD1 3.87Å; Y226-L309 HydrophobicContact CD2-CD1 3.92Å; Y226-L309 HydrophobicContact CE1-CB 4.41Å; Y226-L309 HydrophobicContact CE1-CD1 3.86Å; Y226-L309 HydrophobicContact CE2-CD1 3.89Å; Y226-L309 HydrophobicContact CG-CD1 3.9Å
227K95.1Very high95.9Very high125 Ų12532.5 Ų32.554%0.54318%0.181SC..THydrogen-bonded Turntrans-95.3-12.3176.5-74.7-171.3165.7-177.30113.7R154 D224 C229R154-K227 VanDerWaalsContact NH1-CE 3.33Å; D224-K227 HydrophobicContact CB-CB 4.22Å; D224-K227 PolarHBondContact O-N 2.7Å; D224-K227 PolarHBondContact OD1-N 2.73Å; D224-K227 VanDerWaalsContact OD1-N 3.17Å; K227-C229 VanDerWaalsContact C-N 3.3Å; K227-C229 PolarHBondContact O-N 2.79Å
228M96.1Very high95.8Very high46 Ų4632.8 Ų32.823%0.22718%0.183CC..THydrogen-bonded Turntrans56.642.7-174.9-60.4-64.9-78.800112.3F214 F223 D224 P225 I320 K323 V328F214-M228 HydrophobicContact CB-CE 4.46Å; F214-M228 HydrophobicContact CD1-CE 3.42Å; F214-M228 VanDerWaalsContact CD1-CE 3.42Å; F214-M228 HydrophobicContact CD1-SD 4.37Å; F214-M228 HydrophobicContact CE1-CB 3.94Å; F214-M228 HydrophobicContact CE1-CE 3.74Å; F214-M228 HydrophobicContact CG-CE 3.91Å; F214-M228 HydrophobicContact CZ-CE 4.47Å; F223-M228 HydrophobicContact CE1-SD 4.29Å; F223-M228 VanDerWaalsContact CZ-CA 3.48Å; F223-M228 HydrophobicContact CZ-CB 4.4Å; F223-M228 HydrophobicContact CZ-SD 4.41Å; D224-M228 WeakPolarHBondContact O-CA 3.35Å; D224-M228 PolarHBondContact O-N 3.18Å; P225-M228 VanDerWaalsContact O-SD 3.4Å; M228-I320 HydrophobicContact CE-CD1 4.16Å; M228-I320 HydrophobicContact CE-CG1 4.27Å; M228-I320 HydrophobicContact CE-CG2 4.25Å; M228-I320 HydrophobicContact SD-CD1 3.64Å; M228-I320 HydrophobicContact SD-CG1 4.06Å; M228-K323 HydrophobicContact CE-CD 4.06Å; M228-V328 HydrophobicContact CE-CG1 3.88Å; M228-V328 HydrophobicContact CE-CG2 4.14Å; M228-V328 HydrophobicContact SD-CG1 4.46Å
229C97.4Very high95.7Very high55 Ų5537.3 Ų37.337%0.37221%0.214SC..EExtended strand (participates in β ladder)trans-150.7169.1177.972.40000111.5F223 D224 K227 S231F223-C229 WeakPolarHBondContact CD2-O 3.45Å; F223-C229 VanDerWaalsContact CE2-C 3.48Å; D224-C229 WeakPolarHBondContact CB-O 3.47Å; D224-C229 PolarHBondContact N-O 3.21Å; D224-C229 PolarHBondContact O-N 3.2Å; K227-C229 VanDerWaalsContact C-N 3.3Å; K227-C229 PolarHBondContact O-N 2.79Å; C229-S231 PolarHBondContact O-N 3.27Å
230W98.1Very high95.8Very high33 Ų3337 Ų3713%0.12521%0.212CC..EExtended strand (participates in β ladder)trans-56.8135.9168.8-62.6120.5000111.4T212 A217 T220 L222 F223 G232 L242 L245 P246 V248T212-W230 HydrophobicContact CG2-CH2 4.47Å; T212-W230 HydrophobicContact CG2-CZ2 3.95Å; A217-W230 HydrophobicContact CB-CH2 3.61Å; A217-W230 HydrophobicContact CB-CZ2 4.07Å; A217-W230 HydrophobicContact CB-CZ3 4.09Å; T220-W230 HydrophobicContact CG2-CH2 4.14Å; T220-W230 HydrophobicContact CG2-CZ3 4.18Å; T220-W230 WeakPolarHBondContact OG1-CZ3 3.49Å; L222-W230 HydrophobicContact CB-CE3 4.01Å; L222-W230 HydrophobicContact CB-CZ3 4.06Å; F223-W230 HydrophobicContact CB-CE3 4.07Å; F223-W230 HydrophobicContact CB-CZ3 4.03Å; F223-W230 HydrophobicContact CD2-CD2 4.42Å; F223-W230 HydrophobicContact CD2-CE3 4.11Å; F223-W230 HydrophobicContact CD2-CZ3 4.37Å; W230-G232 PolarHBondContact O-N 2.96Å; W230-L242 HydrophobicContact CB-CD2 3.75Å; W230-L245 HydrophobicContact CB-CD1 3.91Å; W230-L245 HydrophobicContact CD2-CB 4.02Å; W230-L245 HydrophobicContact CD2-CD1 3.63Å; W230-L245 HydrophobicContact CD2-CG 4.4Å; W230-L245 HydrophobicContact CE3-CD1 3.86Å; W230-L245 HydrophobicContact CG-CB 4.06Å; W230-L245 HydrophobicContact CG-CD1 3.65Å; W230-L245 HydrophobicContact CZ2-CB 4.29Å; W230-P246 HydrophobicContact CZ2-CG 4.13Å; W230-P246 PolarHBondContact NE1-O 2.71Å; W230-V248 HydrophobicContact CD2-CG2 4.41Å; W230-V248 HydrophobicContact CZ2-CG2 3.76Å
231S96.9Very high95.7Very high10 Ų1039.3 Ų39.37%0.0723%0.227CC..  trans-80.398.3-176.6166.80000110.8L222 C229 I233 I234 T235L222-S231 WeakPolarHBondContact O-CB 3.15Å; L222-S231 PolarHBondContact O-N 3.04Å; C229-S231 PolarHBondContact O-N 3.27Å; S231-I233 PolarHBondContact O-N 2.8Å; S231-I233 VanDerWaalsContact O-N 3.09Å; S231-I234 PolarHBondContact O-N 2.72Å; S231-I234 WeakPolarHBondContact OG-CB 3.48Å; S231-I234 WeakPolarHBondContact OG-CG1 3.46Å; S231-I234 PolarHBondContact OG-N 2.79Å; S231-I234 VanDerWaalsContact OG-N 3.09Å; S231-T235 WeakPolarHBondContact O-CG2 3.44Å; S231-T235 PolarHBondContact O-N 3.43Å; S231-T235 PolarHBondContact O-OG1 3.12Å; S231-T235 VanDerWaalsContact O-OG1 3.11Å
232G96.1Very high95.7Very high36 Ų3643.3 Ų43.337%0.37125%0.247SC..Hα-helixtrans-55.7-27.3172.400000114.7W230 T235 S236W230-G232 PolarHBondContact O-N 2.96Å; G232-T235 WeakPolarHBondContact CA-OG1 3.31Å; G232-T235 PolarHBondContact O-OG1 3.06Å; G232-S236 WeakPolarHBondContact O-CB 3.12Å; G232-S236 PolarHBondContact O-N 3.22Å
233I93.4Very high95.5Very high87 Ų8747.9 Ų47.945%0.44628%0.279SS..Hα-helixtrans-68.8-59.8177-63.5173.8000110.1F139 S231 T235 S236 L237F139-I233 HydrophobicContact CE2-CG2 3.73Å; F139-I233 HydrophobicContact CZ-CG2 4.24Å; S231-I233 PolarHBondContact O-N 2.8Å; S231-I233 VanDerWaalsContact O-N 3.09Å; I233-T235 PolarHBondContact O-N 3.1Å; I233-S236 PolarHBondContact O-N 2.96Å; I233-L237 WeakPolarHBondContact O-CB 3.43Å; I233-L237 PolarHBondContact O-N 3.08Å
234I94.6Very high95.5Very high14 Ų1447.5 Ų47.57%0.07228%0.278CS..Hα-helixtrans-59.1-45.4178.8-59.9-58.7000111.7F139 F161 F163 L222 S231 S236 L237 I238F139-I234 HydrophobicContact CZ-CD1 4.47Å; F161-I234 HydrophobicContact CD1-CD1 3.98Å; F161-I234 HydrophobicContact CE1-CD1 3.8Å; F161-I234 HydrophobicContact CZ-CD1 4.27Å; F163-I234 HydrophobicContact CE1-CG2 4.08Å; F163-I234 HydrophobicContact CZ-CG2 4.29Å; L222-I234 HydrophobicContact CD2-CG2 4.21Å; S231-I234 PolarHBondContact O-N 2.72Å; S231-I234 WeakPolarHBondContact OG-CB 3.48Å; S231-I234 WeakPolarHBondContact OG-CG1 3.46Å; S231-I234 PolarHBondContact OG-N 2.79Å; S231-I234 VanDerWaalsContact OG-N 3.09Å; I234-S236 PolarHBondContact O-N 3.08Å; I234-L237 WeakPolarHBondContact O-CB 3.36Å; I234-L237 PolarHBondContact O-N 3.43Å; I234-L237 VanDerWaalsContact O-N 3.13Å; I234-I238 HydrophobicContact CG2-CD1 4.23Å; I234-I238 WeakPolarHBondContact O-CG1 3.42Å; I234-I238 PolarHBondContact O-N 2.73Å
235T96.5Very high95.6Very high3 Ų347.4 Ų47.42%0.01828%0.277CS..Hα-helixtrans-64.8-40.2-179.461.90000111.7L222 S231 G232 I233 L237 I238 S239 I240 L242 L245L222-T235 HydrophobicContact CB-CG2 4.47Å; L222-T235 HydrophobicContact CD2-CG2 4.27Å; S231-T235 WeakPolarHBondContact O-CG2 3.44Å; S231-T235 PolarHBondContact O-N 3.43Å; S231-T235 PolarHBondContact O-OG1 3.12Å; S231-T235 VanDerWaalsContact O-OG1 3.11Å; G232-T235 WeakPolarHBondContact CA-OG1 3.31Å; G232-T235 PolarHBondContact O-OG1 3.06Å; I233-T235 PolarHBondContact O-N 3.1Å; T235-L237 VanDerWaalsContact C-N 3.32Å; T235-L237 PolarHBondContact O-N 3.12Å; T235-I238 PolarHBondContact O-N 3.4Å; T235-S239 PolarHBondContact O-N 2.77Å; T235-I240 WeakPolarHBondContact CB-O 3.42Å; T235-I240 PolarHBondContact O-N 3.31Å; T235-L242 HydrophobicContact CG2-CD2 4.05Å; T235-L245 HydrophobicContact CG2-CD1 3.92Å
236S95.8Very high95.8Very high92 Ų9246.1 Ų46.164%0.64327%0.269SS*.Hα-helixtrans-65.4-35.1172.7-177.80000112.6G232 I233 I234 I238 S239G232-S236 WeakPolarHBondContact O-CB 3.12Å; G232-S236 PolarHBondContact O-N 3.22Å; I233-S236 PolarHBondContact O-N 2.96Å; I234-S236 PolarHBondContact O-N 3.08Å; S236-I238 VanDerWaalsContact C-N 3.3Å; S236-I238 PolarHBondContact O-N 2.73Å; S236-S239 PolarHBondContact O-N 3.29Å
237L94.5Very high96Very high31 Ų3145.6 Ų45.616%0.16227%0.274CS..Hα-helixtrans-63.5-38.2-179.1-172.569.1000111.8W130 L135 M136 I233 I234 T235W130-L237 HydrophobicContact CH2-CG 4.49Å; W130-L237 WeakPolarHBondContact CH2-O 3.07Å; W130-L237 HydrophobicContact CZ3-CD1 4.49Å; W130-L237 HydrophobicContact CZ3-CD2 4.45Å; W130-L237 HydrophobicContact CZ3-CG 3.99Å; L135-L237 HydrophobicContact CD1-CD1 4.41Å; L135-L237 HydrophobicContact CD2-CD1 3.55Å; L135-L237 HydrophobicContact CD2-CG 4.47Å; L135-L237 HydrophobicContact CG-CD1 3.8Å; M136-L237 HydrophobicContact SD-CD2 3.62Å; I233-L237 WeakPolarHBondContact O-CB 3.43Å; I233-L237 PolarHBondContact O-N 3.08Å; I234-L237 WeakPolarHBondContact O-CB 3.36Å; I234-L237 PolarHBondContact O-N 3.43Å; I234-L237 VanDerWaalsContact O-N 3.13Å; T235-L237 VanDerWaalsContact C-N 3.32Å; T235-L237 PolarHBondContact O-N 3.12Å
238I95.8Very high96.2Very high7 Ų741 Ų414%0.03626%0.257CS..THydrogen-bonded Turntrans-109.317.2-177.170.7-171.8000113W130 F163 L170 V173 L222 I234 T235 S236 I240W130-I238 HydrophobicContact CD2-CG2 4.36Å; W130-I238 HydrophobicContact CE3-CG2 4.37Å; W130-I238 HydrophobicContact CH2-CG2 4.07Å; W130-I238 HydrophobicContact CZ2-CB 4.47Å; W130-I238 HydrophobicContact CZ2-CG2 4.04Å; W130-I238 HydrophobicContact CZ3-CG2 4.21Å; F163-I238 HydrophobicContact CE1-CD1 4.23Å; F163-I238 HydrophobicContact CE1-CG2 4.35Å; F163-I238 HydrophobicContact CE2-CG2 4.3Å; F163-I238 HydrophobicContact CZ-CD1 4.49Å; F163-I238 HydrophobicContact CZ-CG2 3.66Å; L170-I238 HydrophobicContact CD2-CD1 4.41Å; L170-I238 HydrophobicContact CD2-CG2 4.14Å; V173-I238 HydrophobicContact CG2-CB 3.86Å; V173-I238 HydrophobicContact CG2-CD1 3.92Å; V173-I238 HydrophobicContact CG2-CG1 3.88Å; L222-I238 HydrophobicContact CD2-CD1 3.77Å; I234-I238 HydrophobicContact CG2-CD1 4.23Å; I234-I238 WeakPolarHBondContact O-CG1 3.42Å; I234-I238 PolarHBondContact O-N 2.73Å; T235-I238 PolarHBondContact O-N 3.4Å; S236-I238 VanDerWaalsContact C-N 3.3Å; S236-I238 PolarHBondContact O-N 2.73Å; I238-I240 HydrophobicContact CD1-CD1 3.67Å; I238-I240 HydrophobicContact CD1-CG1 4.47Å; I238-I240 HydrophobicContact CG1-CD1 3.77Å; I238-I240 HydrophobicContact CG1-CG1 4.03Å; I238-I240 PolarHBondContact O-N 3.37Å
239S95.4Very high96.3Very high101 Ų10144.6 Ų44.671%0.70627%0.268SS*.THydrogen-bonded Turntrans57.740.4174.2-54.80000115.5T235 S236T235-S239 PolarHBondContact O-N 2.77Å; S236-S239 PolarHBondContact O-N 3.29Å
240I96.8Very high96.3Very high6 Ų643.4 Ų43.43%0.03126%0.258CS..  trans-98.2122.8171.5-66.2170.3000109.4L172 V173 L176 L222 T235 I238 L244 L245L172-I240 HydrophobicContact CD2-CD1 3.95Å; L172-I240 HydrophobicContact CD2-CG2 4.33Å; L172-I240 HydrophobicContact CG-CD1 4.23Å; V173-I240 HydrophobicContact CG2-CD1 3.95Å; V173-I240 HydrophobicContact CG2-CG1 4.22Å; L176-I240 HydrophobicContact CD1-CG1 4.01Å; L222-I240 HydrophobicContact CD1-CD1 4.16Å; L222-I240 HydrophobicContact CD2-CD1 3.9Å; T235-I240 WeakPolarHBondContact CB-O 3.42Å; T235-I240 PolarHBondContact O-N 3.31Å; I238-I240 HydrophobicContact CD1-CD1 3.67Å; I238-I240 HydrophobicContact CD1-CG1 4.47Å; I238-I240 HydrophobicContact CG1-CD1 3.77Å; I238-I240 HydrophobicContact CG1-CG1 4.03Å; I238-I240 PolarHBondContact O-N 3.37Å; I240-L244 HydrophobicContact CG2-CD2 4.44Å; I240-L245 HydrophobicContact CG2-CD2 4.46Å
241P95.5Very high96.3Very high49 Ų4941.9 Ų41.932%0.31825%0.252SS..  trans-65.7133.3174.6-21.934.4000111.8V186 S243 L244V186-P241 HydrophobicContact CG1-CG 3.76Å; P241-S243 PolarHBondContact O-N 2.95Å; P241-L244 VanDerWaalsContact O-CB 3.31Å; P241-L244 WeakPolarHBondContact O-CB 3.04Å; P241-L244 PolarHBondContact O-N 3.27Å
242L95.3Very high96.2Very high87 Ų8742.3 Ų42.346%0.45526%0.255SS..G310 helixtrans-62.9-29.6176.1-77.5171.3000112.7W230 T235 L244 L245W230-L242 HydrophobicContact CB-CD2 3.75Å; T235-L242 HydrophobicContact CG2-CD2 4.05Å; L242-L244 PolarHBondContact O-N 3.46Å; L242-L245 HydrophobicContact CD2-CD1 4.3Å; L242-L245 PolarHBondContact O-N 2.89Å; L242-L245 VanDerWaalsContact O-N 3.13Å
243S93.4Very high96.2Very high96 Ų9643.9 Ų43.967%0.67125%0.252SS*.G310 helixtrans-63.1-22.2177.350.50000113.5P241 L245P241-S243 PolarHBondContact O-N 2.95Å; S243-L245 VanDerWaalsContact C-N 3.32Å
244L95.8Very high96.4Very high5 Ų544.9 Ų44.93%0.02626%0.259CS..G310 helixtrans-70.6-29.1175.8-18058.8000111.7L172 V186 C191 F193 Y210 I240 P241 L242L172-L244 HydrophobicContact CD2-CD2 4.33Å; V186-L244 HydrophobicContact CG2-CD1 4.3Å; V186-L244 HydrophobicContact CG2-CD2 4.27Å; C191-L244 HydrophobicContact CB-CD1 3.91Å; C191-L244 WeakPolarHBondContact O-CD1 3.39Å; F193-L244 HydrophobicContact CB-CD1 3.83Å; F193-L244 HydrophobicContact CB-CD2 4.3Å; F193-L244 HydrophobicContact CB-CG 3.69Å; F193-L244 PolarHBondContact N-O 3.36Å; Y210-L244 PolarHBondContact OH-O 3.36Å; I240-L244 HydrophobicContact CG2-CD2 4.44Å; P241-L244 VanDerWaalsContact O-CB 3.31Å; P241-L244 WeakPolarHBondContact O-CB 3.04Å; P241-L244 PolarHBondContact O-N 3.27Å; L242-L244 PolarHBondContact O-N 3.46Å
245L97.6Very high96.5Very high11 Ų1144.5 Ų44.56%0.05826%0.257CS..SBendtrans-85.5142.2-169.4-56177.1000112.3F193 L222 W230 T235 I240 L242 S243F193-L245 HydrophobicContact CD1-CD2 3.54Å; F193-L245 HydrophobicContact CE1-CD2 3.86Å; F193-L245 HydrophobicContact CG-CD2 4.25Å; L222-L245 HydrophobicContact CD1-CD2 4.03Å; W230-L245 HydrophobicContact CB-CD1 3.91Å; W230-L245 HydrophobicContact CD2-CB 4.02Å; W230-L245 HydrophobicContact CD2-CD1 3.63Å; W230-L245 HydrophobicContact CD2-CG 4.4Å; W230-L245 HydrophobicContact CE3-CD1 3.86Å; W230-L245 HydrophobicContact CG-CB 4.06Å; W230-L245 HydrophobicContact CG-CD1 3.65Å; W230-L245 HydrophobicContact CZ2-CB 4.29Å; T235-L245 HydrophobicContact CG2-CD1 3.92Å; I240-L245 HydrophobicContact CG2-CD2 4.46Å; L242-L245 HydrophobicContact CD2-CD1 4.3Å; L242-L245 PolarHBondContact O-N 2.89Å; L242-L245 VanDerWaalsContact O-N 3.13Å; S243-L245 VanDerWaalsContact C-N 3.32Å
246P97.9Very high96.6Very high1 Ų145.6 Ų45.61%0.00627%0.269CS..PPolyproline II helixtrans-70147.5-177.926.2-32.9000112.1F193 T198 Y210 T212 W230 V248F193-P246 WeakPolarHBondContact O-CD 3.16Å; T198-P246 HydrophobicContact CG2-CB 3.9Å; T198-P246 HydrophobicContact CG2-CG 4.02Å; Y210-P246 HydrophobicContact CD1-CB 4.32Å; Y210-P246 HydrophobicContact CD2-CB 4.13Å; Y210-P246 HydrophobicContact CE1-CB 3.93Å; Y210-P246 HydrophobicContact CE2-CB 3.71Å; Y210-P246 HydrophobicContact CE2-CG 4.45Å; Y210-P246 HydrophobicContact CG-CB 4.43Å; T212-P246 HydrophobicContact CG2-CB 4.5Å; T212-P246 HydrophobicContact CG2-CG 3.88Å; W230-P246 HydrophobicContact CZ2-CG 4.13Å; W230-P246 PolarHBondContact NE1-O 2.71Å; P246-V248 PolarHBondContact O-N 3.05Å
247P98.1Very high96.7Very high62 Ų6243.7 Ų43.740%0.40326%0.255SS..PPolyproline II helixtrans-51.9135165-2532.7000111.8Y210 A211 T212Y210-P247 WeakPolarHBondContact O-CD 3.49Å; A211-P247 VanDerWaalsContact CA-O 3.28Å; A211-P247 WeakPolarHBondContact CA-O 3.38Å; T212-P247 PolarHBondContact N-O 2.71Å
248V98.5Very high96.9Very high28 Ų2842.2 Ų42.217%0.1725%0.248CC..EExtended strand (participates in β ladder)trans-94.6130.9177.3-170.40000109.4T212 F214 A217 F223 W230 P246T212-V248 HydrophobicContact CG2-CB 4.49Å; T212-V248 HydrophobicContact CG2-CG1 4.47Å; T212-V248 HydrophobicContact CG2-CG2 3.99Å; T212-V248 CarbonylContact O-C 3.57Å; T212-V248 WeakPolarHBondContact O-CA 3.32Å; F214-V248 HydrophobicContact CB-CG1 4.38Å; F214-V248 HydrophobicContact CD1-CG1 3.59Å; F214-V248 HydrophobicContact CD2-CG1 4.06Å; F214-V248 HydrophobicContact CE1-CB 4.38Å; F214-V248 HydrophobicContact CE1-CG1 3.69Å; F214-V248 HydrophobicContact CE2-CG1 4.13Å; F214-V248 HydrophobicContact CG-CG1 3.78Å; F214-V248 HydrophobicContact CZ-CG1 3.97Å; A217-V248 HydrophobicContact CB-CG1 4.08Å; A217-V248 HydrophobicContact CB-CG2 4.02Å; F223-V248 HydrophobicContact CD2-CG2 4.45Å; F223-V248 HydrophobicContact CE2-CG1 4.3Å; F223-V248 HydrophobicContact CE2-CG2 4.14Å; W230-V248 HydrophobicContact CD2-CG2 4.41Å; W230-V248 HydrophobicContact CZ2-CG2 3.76Å; P246-V248 PolarHBondContact O-N 3.05Å
249R98.3Very high97Very high122 Ų12244.1 Ų44.146%0.4626%0.258SS..EExtended strand (participates in β ladder)trans-121.5167.8-180-60-62.7-176.3179.61.5111.2A211 T212 D213 F214 H253 F255A211-R249 HydrophobicContact CB-CG 4.07Å; T212-R249 PolarHBondContact O-N 2.91Å; D213-R249 WeakPolarHBondContact CA-O 3.36Å; F214-R249 WeakPolarHBondContact CD2-O 3.44Å; F214-R249 VanDerWaalsContact CE2-C 3.41Å; F214-R249 VanDerWaalsContact CE2-O 3.23Å; F214-R249 WeakPolarHBondContact CE2-O 3.27Å; F214-R249 PolarHBondContact N-O 3.22Å; R249-H253 HydrophobicContact CB-CB 4.49Å; R249-F255 HydrophobicContact CB-CE1 3.64Å; R249-F255 HydrophobicContact CB-CZ 3.95Å; R249-F255 HydrophobicContact CG-CE1 3.99Å
250D98.3Very high97.1Very high31 Ų3145.3 Ų45.317%0.16625%0.252CS..  trans-58.3146.6173.4-75.519.1000110.4S252 H253 F255 K323 G325D250-S252 PolarHBondContact O-N 3.09Å; D250-H253 HydrophobicContact CB-CB 4.24Å; D250-H253 VanDerWaalsContact O-CB 3.25Å; D250-H253 WeakPolarHBondContact O-CB 3.29Å; D250-F255 WeakPolarHBondContact O-CZ 3.3Å; D250-K323 WeakPolarHBondContact CB-O 3.41Å; D250-K323 VanDerWaalsContact CG-NZ 3.26Å; D250-K323 WeakPolarHBondContact OD1-CD 3.44Å; D250-K323 IonicContact OD1-NZ 3.9Å; D250-K323 PolarHBondContact OD1-NZ 3.03Å; D250-K323 IonicContact OD2-NZ 3.32Å; D250-K323 PolarHBondContact OD2-NZ 3.24Å; D250-G325 WeakPolarHBondContact OD2-CA 3.37Å; D250-G325 PolarHBondContact OD2-N 3.26Å
251T98Very high97.1Very high0 Ų052.5 Ų52.50%029%0.286CS..SBendtrans-61.6-36.7-178.6-55.40000111.3D213 A271 L272 V273 W322 K323 L475D213-T251 PolarHBondContact OD2-OG1 3.35Å; T251-A271 VanDerWaalsContact O-CA 3.26Å; T251-A271 WeakPolarHBondContact O-CA 3.43Å; T251-L272 VanDerWaalsContact CG2-O 3.27Å; T251-L272 WeakPolarHBondContact CG2-O 3.28Å; T251-L272 PolarHBondContact O-N 3.2Å; T251-V273 HydrophobicContact CG2-CB 3.76Å; T251-V273 HydrophobicContact CG2-CG2 3.83Å; T251-W322 HydrophobicContact CG2-CB 3.94Å; T251-W322 WeakPolarHBondContact OG1-CA 3.4Å; T251-K323 PolarHBondContact N-O 3.32Å; T251-K323 PolarHBondContact OG1-N 2.76Å; T251-K323 VanDerWaalsContact OG1-N 3.08Å; T251-L475 HydrophobicContact CG2-CD1 3.82Å; T251-L475 HydrophobicContact CG2-CD2 4.2Å
252S94.9Very high97.2Very high19 Ų1951.3 Ų51.313%0.13328%0.276CS..BIsolated β-bridgetrans-107.9102.1169.4-175.20000108D250 L475 A479D250-S252 PolarHBondContact O-N 3.09Å; S252-L475 PolarHBondContact OG-O 2.71Å; S252-L475 VanDerWaalsContact OG-O 3.07Å; S252-A479 VanDerWaalsContact OG-CB 3.31Å; S252-A479 WeakPolarHBondContact OG-CB 3.31Å
253H95.6Very high97.3Very high69 Ų6948.1 Ų48.132%0.31926%0.259SS..  trans-152.2146.5-172.6-178.372000109.8R249 D250 F255 V270R249-H253 HydrophobicContact CB-CB 4.49Å; D250-H253 HydrophobicContact CB-CB 4.24Å; D250-H253 VanDerWaalsContact O-CB 3.25Å; D250-H253 WeakPolarHBondContact O-CB 3.29Å; H253-F255 HydrophobicContact CB-CD2 4.23Å; H253-F255 HydrophobicContact CB-CE2 3.73Å; H253-F255 HydrophobicContact CB-CZ 3.9Å; H253-F255 WeakPolarHBondContact O-CD2 3.29Å; H253-F255 WeakPolarHBondContact O-CE2 3.36Å; H253-F255 PolarHBondContact O-N 3.01Å; H253-V270 PolarHBondContact N-O 2.91Å; H253-V270 CarbonylContact O-C 3.56Å; H253-V270 WeakPolarHBondContact O-CA 3.22Å; H253-V270 VanDerWaalsContact O-O 3.05Å
254N97.2Very high97.5Very high108 Ų10846.4 Ų46.458%0.57826%0.257SS*.  trans-74.999.1172.2-176.7-0.7000109.9G256N254-G256 PolarHBondContact O-N 3.1Å; N254-G256 WeakPolarHBondContact OD1-CA 3.47Å; N254-G256 PolarHBondContact OD1-N 2.63Å; N254-G256 PolarHBondContact OD1-O 2.88Å
255F98.1Very high97.5Very high6 Ų648 Ų483%0.02627%0.267CS..  trans-85.112.5176.9-64.4-85.2000112.9L201 V209 A211 R249 D250 H253 I269 L272L201-F255 HydrophobicContact CD1-CB 3.72Å; L201-F255 HydrophobicContact CD2-CB 4.02Å; L201-F255 HydrophobicContact CD2-CD1 3.62Å; L201-F255 HydrophobicContact CD2-CE1 4.38Å; L201-F255 HydrophobicContact CD2-CG 4.08Å; V209-F255 WeakPolarHBondContact CG2-O 3.43Å; A211-F255 HydrophobicContact CB-CD1 4.25Å; A211-F255 HydrophobicContact CB-CE1 4.19Å; R249-F255 HydrophobicContact CB-CE1 3.64Å; R249-F255 HydrophobicContact CB-CZ 3.95Å; R249-F255 HydrophobicContact CG-CE1 3.99Å; D250-F255 WeakPolarHBondContact O-CZ 3.3Å; H253-F255 HydrophobicContact CB-CD2 4.23Å; H253-F255 HydrophobicContact CB-CE2 3.73Å; H253-F255 HydrophobicContact CB-CZ 3.9Å; H253-F255 WeakPolarHBondContact O-CD2 3.29Å; H253-F255 WeakPolarHBondContact O-CE2 3.36Å; H253-F255 PolarHBondContact O-N 3.01Å; F255-I269 HydrophobicContact CB-CB 4.32Å; F255-I269 HydrophobicContact CB-CG2 4.25Å; F255-I269 WeakPolarHBondContact CB-O 3.47Å; F255-I269 PolarHBondContact N-O 3.17Å; F255-L272 HydrophobicContact CD1-CD1 4.2Å; F255-L272 HydrophobicContact CD2-CG 4.05Å; F255-L272 HydrophobicContact CE1-CD1 3.9Å; F255-L272 HydrophobicContact CE1-CG 4.29Å; F255-L272 HydrophobicContact CE2-CB 4.03Å; F255-L272 HydrophobicContact CE2-CD1 4.31Å; F255-L272 HydrophobicContact CE2-CG 3.79Å; F255-L272 HydrophobicContact CG-CG 4.44Å; F255-L272 HydrophobicContact CZ-CB 4.04Å; F255-L272 HydrophobicContact CZ-CD1 3.98Å; F255-L272 HydrophobicContact CZ-CG 3.92Å
256G97.6Very high97.5Very high27 Ų2751.3 Ų51.328%0.27829%0.288SS..  trans96.4-148.4-174.700000111.6N254 I269N254-G256 PolarHBondContact O-N 3.1Å; N254-G256 WeakPolarHBondContact OD1-CA 3.47Å; N254-G256 PolarHBondContact OD1-N 2.63Å; N254-G256 PolarHBondContact OD1-O 2.88Å; G256-I269 PolarHBondContact O-N 3.43Å
257S98.2Very high97.5Very high51 Ų5151.3 Ų51.336%0.35729%0.288SS..BIsolated β-bridgetrans-137.4151.9-178.7-62.20000110.2D259 I267S257-D259 PolarHBondContact O-N 3.3Å; S257-I267 CarbonylContact C-O 3.57Å; S257-I267 VanDerWaalsContact CA-O 3.23Å; S257-I267 WeakPolarHBondContact CA-O 3.39Å
258V98.4Very high97.5Very high1 Ų150.2 Ų50.21%0.00628%0.281CS..  trans-56.9135.2168.4-174.30000108.7L92 L204 I262 F263 P266 I267 I269L92-V258 HydrophobicContact CD2-CG2 4.14Å; L204-V258 HydrophobicContact CB-CG1 4.39Å; L204-V258 HydrophobicContact CB-CG2 4.34Å; L204-V258 HydrophobicContact CD1-CG2 4.46Å; L204-V258 HydrophobicContact CD2-CB 4.38Å; L204-V258 HydrophobicContact CD2-CG1 3.63Å; L204-V258 HydrophobicContact CD2-CG2 3.87Å; L204-V258 HydrophobicContact CG-CG2 4.46Å; L204-V258 WeakPolarHBondContact O-CA 3.48Å; V258-I262 HydrophobicContact CG1-CB 3.99Å; V258-I262 HydrophobicContact CG1-CD1 3.87Å; V258-I262 HydrophobicContact CG1-CG1 4.44Å; V258-I262 HydrophobicContact CG1-CG2 4.3Å; V258-F263 HydrophobicContact CB-CD2 4.28Å; V258-F263 HydrophobicContact CB-CE2 4.5Å; V258-F263 HydrophobicContact CG1-CD2 3.58Å; V258-F263 HydrophobicContact CG1-CE2 3.73Å; V258-F263 HydrophobicContact CG2-CD2 4.5Å; V258-F263 HydrophobicContact CG2-CE2 4.34Å; V258-P266 WeakPolarHBondContact O-CA 3.43Å; V258-I267 HydrophobicContact CB-CB 4.28Å; V258-I267 HydrophobicContact CG2-CB 4.03Å; V258-I267 PolarHBondContact N-O 3.26Å; V258-I269 HydrophobicContact CG2-CD1 3.85Å; V258-I269 HydrophobicContact CG2-CG1 3.73Å
259D98.3Very high97.5Very high46 Ų4648.9 Ų48.925%0.24627%0.273CS..  trans-61133.6175.2-172.7-87.2000110.7L204 K206 S257 E261 I262L204-D259 WeakPolarHBondContact O-CB 3.48Å; L204-D259 PolarHBondContact O-N 2.94Å; K206-D259 HydrophobicContact CD-CB 4.13Å; K206-D259 WeakPolarHBondContact CE-OD1 3.23Å; K206-D259 HydrophobicContact CG-CB 3.97Å; K206-D259 IonicContact NZ-OD1 2.76Å; K206-D259 PolarHBondContact NZ-OD1 3.15Å; K206-D259 IonicContact NZ-OD2 3.14Å; S257-D259 PolarHBondContact O-N 3.3Å; D259-E261 PolarHBondContact O-N 2.73Å; D259-E261 VanDerWaalsContact O-N 3.13Å; D259-E261 WeakPolarHBondContact OD1-CB 3.14Å; D259-E261 PolarHBondContact OD1-N 2.91Å; D259-E261 VanDerWaalsContact OD1-N 3.09Å; D259-I262 HydrophobicContact CB-CD1 4.18Å; D259-I262 HydrophobicContact CB-CG1 4.42Å; D259-I262 WeakPolarHBondContact O-CB 3.38Å; D259-I262 PolarHBondContact O-N 3.4Å
260E96.9Very high97.5Very high126 Ų12643.4 Ų43.459%0.58925%0.253SS*.Hα-helixtrans-62.1-23.7-172.562.5-178-175.500113.3I262 G264E260-I262 PolarHBondContact O-N 2.96Å; E260-G264 CarbonylContact O-C 3.38Å; E260-G264 WeakPolarHBondContact O-CA 3.19Å; E260-G264 PolarHBondContact O-N 2.89Å
261E97.3Very high97.5Very high157 Ų15742 Ų4273%0.73425%0.246SC*.Hα-helixtrans-69.7-17.5177.7-64.5-178.6-154.900113.1K206 D259K206-E261 IonicContact NZ-OE1 3.61Å; K206-E261 PolarHBondContact NZ-OE1 2.96Å; K206-E261 IonicContact NZ-OE2 3.84Å; K206-E261 PolarHBondContact NZ-OE2 3.41Å; D259-E261 PolarHBondContact O-N 2.73Å; D259-E261 VanDerWaalsContact O-N 3.13Å; D259-E261 WeakPolarHBondContact OD1-CB 3.14Å; D259-E261 PolarHBondContact OD1-N 2.91Å; D259-E261 VanDerWaalsContact OD1-N 3.09Å
262I97.5Very high97.6Very high24 Ų2442 Ų4212%0.12325%0.246CC..Hα-helixtrans-78.9-44.8-177.8-59.6173.8000111.1W68 V72 K76 L204 V258 D259 E260W68-I262 HydrophobicContact CH2-CD1 4.13Å; W68-I262 HydrophobicContact CZ2-CD1 4.08Å; V72-I262 HydrophobicContact CG1-CG2 4.38Å; V72-I262 HydrophobicContact CG2-CG2 4.27Å; K76-I262 WeakPolarHBondContact CE-O 3.43Å; K76-I262 PolarHBondContact NZ-O 2.95Å; L204-I262 HydrophobicContact CD2-CD1 4.31Å; L204-I262 WeakPolarHBondContact O-CD1 3.42Å; V258-I262 HydrophobicContact CG1-CB 3.99Å; V258-I262 HydrophobicContact CG1-CD1 3.87Å; V258-I262 HydrophobicContact CG1-CG1 4.44Å; V258-I262 HydrophobicContact CG1-CG2 4.3Å; D259-I262 HydrophobicContact CB-CD1 4.18Å; D259-I262 HydrophobicContact CB-CG1 4.42Å; D259-I262 WeakPolarHBondContact O-CB 3.38Å; D259-I262 PolarHBondContact O-N 3.4Å; E260-I262 PolarHBondContact O-N 2.96Å
263F97.3Very high97.8Very high21 Ų2141.1 Ų41.19%0.09224%0.239CC..Hα-helixtrans-122.61-174.6-61.8-53.8000114.8V72 I75 K76 M86 L204 V258 V265 I267V72-F263 HydrophobicContact CG1-CE1 3.86Å; V72-F263 HydrophobicContact CG1-CZ 4.4Å; I75-F263 HydrophobicContact CB-CE1 4.18Å; I75-F263 HydrophobicContact CB-CZ 4.01Å; I75-F263 HydrophobicContact CD1-CE2 4.23Å; I75-F263 HydrophobicContact CD1-CZ 3.67Å; I75-F263 HydrophobicContact CG1-CZ 4.45Å; I75-F263 HydrophobicContact CG2-CE1 3.91Å; I75-F263 HydrophobicContact CG2-CE2 4.32Å; I75-F263 HydrophobicContact CG2-CZ 3.76Å; K76-F263 HydrophobicContact CD-CE1 4.48Å; K76-F263 HydrophobicContact CG-CD1 4.06Å; K76-F263 HydrophobicContact CG-CE1 3.97Å; M86-F263 HydrophobicContact CE-CD1 4.14Å; M86-F263 HydrophobicContact CG-CB 4.35Å; M86-F263 HydrophobicContact SD-CB 4.5Å; L204-F263 HydrophobicContact CD2-CE2 4.2Å; V258-F263 HydrophobicContact CB-CD2 4.28Å; V258-F263 HydrophobicContact CB-CE2 4.5Å; V258-F263 HydrophobicContact CG1-CD2 3.58Å; V258-F263 HydrophobicContact CG1-CE2 3.73Å; V258-F263 HydrophobicContact CG2-CD2 4.5Å; V258-F263 HydrophobicContact CG2-CE2 4.34Å; F263-V265 PolarHBondContact O-N 3.14Å; F263-I267 HydrophobicContact CB-CD1 4.4Å; F263-I267 HydrophobicContact CD2-CD1 3.85Å; F263-I267 HydrophobicContact CG-CD1 4.34Å
264G96.8Very high97.9Very high60 Ų6037.8 Ų37.862%0.61922%0.224SC*.SBendtrans80.2-7.9-175.400000114.4E260E260-G264 CarbonylContact O-C 3.38Å; E260-G264 WeakPolarHBondContact O-CA 3.19Å; E260-G264 PolarHBondContact O-N 2.89Å
265V97.1Very high97.8Very high39 Ų3933.5 Ų33.524%0.23620%0.201CC..SBendtrans-148.2150.5178.8-63.90000110.2M86 N87 F263 I267M86-V265 HydrophobicContact CB-CG2 3.55Å; N87-V265 HydrophobicContact CB-CG1 4.22Å; F263-V265 PolarHBondContact O-N 3.14Å; V265-I267 HydrophobicContact CG2-CG1 4.37Å
266P97.3Very high97.7Very high79 Ų7933.6 Ų33.651%0.51320%0.202SC..  trans-71.1135.4171.929.5-34000110.8V258V258-P266 WeakPolarHBondContact O-CA 3.43Å
267I97.9Very high97.7Very high1 Ų132.3 Ų32.31%0.00519%0.189CC..  trans-121.1123.5174.3-58.8177.4000108.5M86 I89 L92 S257 V258 F263 V265 I269M86-I267 HydrophobicContact SD-CD1 4Å; I89-I267 HydrophobicContact CB-CD1 4.46Å; I89-I267 HydrophobicContact CB-CG2 4.29Å; I89-I267 HydrophobicContact CG2-CG2 3.68Å; L92-I267 HydrophobicContact CB-CG2 4.03Å; S257-I267 CarbonylContact C-O 3.57Å; S257-I267 VanDerWaalsContact CA-O 3.23Å; S257-I267 WeakPolarHBondContact CA-O 3.39Å; V258-I267 HydrophobicContact CB-CB 4.28Å; V258-I267 HydrophobicContact CG2-CB 4.03Å; V258-I267 PolarHBondContact N-O 3.26Å; F263-I267 HydrophobicContact CB-CD1 4.4Å; F263-I267 HydrophobicContact CD2-CD1 3.85Å; F263-I267 HydrophobicContact CG-CD1 4.34Å; V265-I267 HydrophobicContact CG2-CG1 4.37Å; I267-I269 PolarHBondContact O-N 3Å
268P98.2Very high97.7Very high40 Ų4029.9 Ų29.926%0.2617%0.172SC..BIsolated β-bridgetrans-60.5127.6178.7-24.534.6000112.3L92 V270L92-P268 PolarHBondContact N-O 3.35Å; P268-V270 HydrophobicContact CB-CG1 3.83Å
269I98.7Very high97.7Very high0 Ų029.9 Ų29.90%017%0.171CC..EExtended strand (participates in β ladder)trans-98.4106.4173.2-50.8169.2000106.7L92 I94 L201 L204 T205 F255 G256 V258 I267L92-I269 HydrophobicContact CD2-CG1 4.44Å; I94-I269 HydrophobicContact CD1-CG2 4.11Å; L201-I269 HydrophobicContact CD1-CB 4.49Å; L201-I269 HydrophobicContact CD1-CD1 3.83Å; L201-I269 HydrophobicContact CD1-CG2 4.11Å; L204-I269 HydrophobicContact CB-CD1 3.73Å; L204-I269 HydrophobicContact CD1-CD1 4.01Å; L204-I269 HydrophobicContact CG-CD1 4.49Å; T205-I269 HydrophobicContact CG2-CD1 3.84Å; F255-I269 HydrophobicContact CB-CB 4.32Å; F255-I269 HydrophobicContact CB-CG2 4.25Å; F255-I269 WeakPolarHBondContact CB-O 3.47Å; F255-I269 PolarHBondContact N-O 3.17Å; G256-I269 PolarHBondContact O-N 3.43Å; V258-I269 HydrophobicContact CG2-CD1 3.85Å; V258-I269 HydrophobicContact CG2-CG1 3.73Å; I267-I269 PolarHBondContact O-N 3Å
270V98.4Very high97.7Very high7 Ų727.7 Ų27.74%0.04216%0.16CC..EExtended strand (participates in β ladder)trans-125.7-1.8-163.1-71.10000114.3L92 H253 P268 A476 A479 V480L92-V270 PolarHBondContact O-N 3.24Å; H253-V270 PolarHBondContact N-O 2.91Å; H253-V270 CarbonylContact O-C 3.56Å; H253-V270 WeakPolarHBondContact O-CA 3.22Å; H253-V270 VanDerWaalsContact O-O 3.05Å; P268-V270 HydrophobicContact CB-CG1 3.83Å; V270-A476 HydrophobicContact CG2-CB 3.49Å; V270-A476 VanDerWaalsContact CG2-CB 3.49Å; V270-A479 HydrophobicContact CB-CB 3.85Å; V270-A479 HydrophobicContact CG2-CB 4.28Å; V270-V480 HydrophobicContact CB-CG1 4.23Å; V270-V480 HydrophobicContact CG1-CG1 3.83Å; V270-V480 HydrophobicContact CG2-CG1 3.92Å
271A98.6Very high97.8Very high0 Ų021.7 Ų21.70%013%0.132CC..EExtended strand (participates in β ladder)trans-149.7135.6170.200000111.5I94 T251 L475 A476I94-A271 PolarHBondContact N-O 2.73Å; T251-A271 VanDerWaalsContact O-CA 3.26Å; T251-A271 WeakPolarHBondContact O-CA 3.43Å; A271-L475 HydrophobicContact CB-CB 3.61Å; A271-A476 HydrophobicContact CB-CB 4.18Å
272L98.8Very high97.8Very high0 Ų014.2 Ų14.20%010%0.097CC..EExtended strand (participates in β ladder)trans-123.2132.3165.4-67.7-172.2000107I94 D197 L201 D213 T251 F255I94-L272 HydrophobicContact CB-CD2 3.81Å; I94-L272 HydrophobicContact CD1-CD2 4.08Å; I94-L272 HydrophobicContact CG1-CD2 4.34Å; I94-L272 HydrophobicContact CG2-CD2 4.45Å; I94-L272 WeakPolarHBondContact O-CA 3.45Å; D197-L272 HydrophobicContact CB-CD1 4.32Å; D197-L272 HydrophobicContact CB-CD2 4.41Å; L201-L272 HydrophobicContact CB-CD1 4.31Å; L201-L272 HydrophobicContact CD2-CD1 3.8Å; D213-L272 HydrophobicContact CB-CB 4.02Å; D213-L272 VanDerWaalsContact CB-O 3.26Å; D213-L272 WeakPolarHBondContact CB-O 3.33Å; T251-L272 VanDerWaalsContact CG2-O 3.27Å; T251-L272 WeakPolarHBondContact CG2-O 3.28Å; T251-L272 PolarHBondContact O-N 3.2Å; F255-L272 HydrophobicContact CD1-CD1 4.2Å; F255-L272 HydrophobicContact CD2-CG 4.05Å; F255-L272 HydrophobicContact CE1-CD1 3.9Å; F255-L272 HydrophobicContact CE1-CG 4.29Å; F255-L272 HydrophobicContact CE2-CB 4.03Å; F255-L272 HydrophobicContact CE2-CD1 4.31Å; F255-L272 HydrophobicContact CE2-CG 3.79Å; F255-L272 HydrophobicContact CG-CG 4.44Å; F255-L272 HydrophobicContact CZ-CB 4.04Å; F255-L272 HydrophobicContact CZ-CD1 3.98Å; F255-L272 HydrophobicContact CZ-CG 3.92Å
273V98.7Very high97.8Very high1 Ų113 Ų131%0.0069%0.091CC..EExtended strand (participates in β ladder)trans-152.4148.8-177.6610000110.8I94 S95 T96 S215 N216 T251 Q277 S278 A472 L475I94-V273 PolarHBondContact O-N 3.19Å; S95-V273 VanDerWaalsContact CA-O 3.22Å; S95-V273 WeakPolarHBondContact CA-O 3.28Å; T96-V273 PolarHBondContact N-O 3.18Å; T96-V273 VanDerWaalsContact N-O 3.13Å; S215-V273 WeakPolarHBondContact OG-CA 3.44Å; N216-V273 VanDerWaalsContact ND2-C 3.25Å; N216-V273 PolarHBondContact ND2-O 2.8Å; T251-V273 HydrophobicContact CG2-CB 3.76Å; T251-V273 HydrophobicContact CG2-CG2 3.83Å; V273-Q277 HydrophobicContact CG2-CB 3.9Å; V273-S278 WeakPolarHBondContact CG1-OG 3.48Å; V273-A472 HydrophobicContact CG1-CB 4.16Å; V273-L475 HydrophobicContact CB-CD1 3.82Å; V273-L475 HydrophobicContact CG1-CD1 3.81Å; V273-L475 HydrophobicContact CG2-CD1 3.88Å
274A98Very high97.8Very high0 Ų012.2 Ų12.20%09%0.087CC..EExtended strand (participates in β ladder)trans-74.6144.4173.200000110.8R98 S215 N216 Q276 Q277 S278R98-A274 HydrophobicContact CG-CB 3.58Å; S215-A274 WeakPolarHBondContact OG-CB 3.4Å; S215-A274 PolarHBondContact OG-N 2.88Å; N216-A274 PolarHBondContact ND2-N 2.88Å; A274-Q276 PolarHBondContact O-N 2.67Å; A274-Q277 HydrophobicContact CB-CB 4.31Å; A274-Q277 HydrophobicContact CB-CG 4.38Å; A274-Q277 CarbonylContact O-C 3.56Å; A274-Q277 WeakPolarHBondContact O-CB 3.49Å; A274-Q277 PolarHBondContact O-N 2.84Å; A274-Q277 VanDerWaalsContact O-N 3.15Å; A274-S278 WeakPolarHBondContact O-CB 3.31Å; A274-S278 PolarHBondContact O-N 3.27Å
275D95.7Very high97.8Very high17 Ų179.3 Ų9.39%0.0916%0.058CC..Hα-helixtrans-52.9-49.9-170.362.9-6.4000115.7S95 T96 R98 Q277 S278 A279 S468S95-D275 VanDerWaalsContact OG-CA 3.26Å; S95-D275 WeakPolarHBondContact OG-CA 3.45Å; T96-D275 WeakPolarHBondContact O-CB 3.32Å; T96-D275 PolarHBondContact O-N 3.18Å; R98-D275 VanDerWaalsContact CD-OD1 3.28Å; R98-D275 WeakPolarHBondContact CD-OD1 3.48Å; R98-D275 WeakPolarHBondContact CG-OD1 3.35Å; R98-D275 IonicContact CZ-OD1 2.65Å; R98-D275 IonicContact NE-OD1 3.06Å; R98-D275 PolarHBondContact NE-OD1 2.71Å; D275-Q277 PolarHBondContact O-N 3.01Å; D275-S278 WeakPolarHBondContact O-CB 3.2Å; D275-S278 PolarHBondContact O-N 2.89Å; D275-A279 PolarHBondContact O-N 3.13Å; D275-S468 PolarHBondContact O-OG 2.69Å
276Q96.1Very high97.9Very high9 Ų98.5 Ų8.54%0.0425%0.051CC..Hα-helixtrans-68.4-36.4-179.6-61-48-49.900112.4A274 S278 A279 M280 K292 T294 F300 E333A274-Q276 PolarHBondContact O-N 2.67Å; Q276-S278 VanDerWaalsContact C-N 3.35Å; Q276-A279 PolarHBondContact O-N 2.92Å; Q276-M280 PolarHBondContact O-N 2.68Å; Q276-K292 WeakPolarHBondContact O-CE 3.31Å; Q276-K292 PolarHBondContact O-NZ 2.95Å; Q276-K292 VanDerWaalsContact OE1-NZ 3.13Å; Q276-T294 VanDerWaalsContact OE1-CB 3.23Å; Q276-T294 PolarHBondContact OE1-OG1 3.36Å; Q276-T294 VanDerWaalsContact OE1-OG1 3.13Å; Q276-F300 HydrophobicContact CG-CB 4.16Å; Q276-F300 HydrophobicContact CG-CD1 4.24Å; Q276-F300 HydrophobicContact CG-CD2 4.26Å; Q276-F300 HydrophobicContact CG-CG 3.96Å; Q276-E333 WeakPolarHBondContact CB-OE2 3.41Å; Q276-E333 WeakPolarHBondContact CG-OE2 3.49Å
277Q98.3Very high97.9Very high0 Ų09.4 Ų9.40%05%0.049CC..Hα-helixtrans-66.9-37.6173.2-72.390.3-34.300112.1V273 A274 D275 M280 F281 I320 G321 L331V273-Q277 HydrophobicContact CG2-CB 3.9Å; A274-Q277 HydrophobicContact CB-CB 4.31Å; A274-Q277 HydrophobicContact CB-CG 4.38Å; A274-Q277 CarbonylContact O-C 3.56Å; A274-Q277 WeakPolarHBondContact O-CB 3.49Å; A274-Q277 PolarHBondContact O-N 2.84Å; A274-Q277 VanDerWaalsContact O-N 3.15Å; D275-Q277 PolarHBondContact O-N 3.01Å; Q277-M280 WeakPolarHBondContact O-CB 3.44Å; Q277-M280 PolarHBondContact O-N 3.06Å; Q277-F281 PolarHBondContact O-N 2.65Å; Q277-F281 VanDerWaalsContact O-N 3.08Å; Q277-I320 WeakPolarHBondContact CG-O 3.26Å; Q277-I320 PolarHBondContact NE2-O 2.87Å; Q277-I320 VanDerWaalsContact NE2-O 3.16Å; Q277-G321 VanDerWaalsContact CB-O 3.29Å; Q277-G321 WeakPolarHBondContact CB-O 3.33Å; Q277-G321 VanDerWaalsContact CG-O 3.29Å; Q277-G321 WeakPolarHBondContact CG-O 3.34Å; Q277-L331 HydrophobicContact CG-CD1 3.81Å
278S98.3Very high97.9Very high0 Ų012.7 Ų12.70%07%0.069CC..Hα-helixtrans-62.8-48.9173.7-1630000110.2V273 A274 D275 Q276 M280 F281 G282 S468 G471 A472V273-S278 WeakPolarHBondContact CG1-OG 3.48Å; A274-S278 WeakPolarHBondContact O-CB 3.31Å; A274-S278 PolarHBondContact O-N 3.27Å; D275-S278 WeakPolarHBondContact O-CB 3.2Å; D275-S278 PolarHBondContact O-N 2.89Å; Q276-S278 VanDerWaalsContact C-N 3.35Å; S278-M280 VanDerWaalsContact C-N 3.32Å; S278-M280 PolarHBondContact O-N 3.2Å; S278-F281 CarbonylContact O-C 3.57Å; S278-F281 WeakPolarHBondContact O-CA 3.45Å; S278-F281 WeakPolarHBondContact O-CB 3.45Å; S278-F281 PolarHBondContact O-N 3.08Å; S278-G282 PolarHBondContact O-N 2.95Å; S278-S468 PolarHBondContact OG-O 3.04Å; S278-G471 WeakPolarHBondContact O-CA 3.4Å; S278-A472 PolarHBondContact OG-N 3.4Å
279A97.4Very high97.9Very high0 Ų010.8 Ų10.80%06%0.056CC..Hα-helixtrans-58.1-41.5175.500000112.3D275 Q276 F281 G282 E283 K292 M467D275-A279 PolarHBondContact O-N 3.13Å; Q276-A279 PolarHBondContact O-N 2.92Å; A279-F281 VanDerWaalsContact C-N 3.27Å; A279-F281 PolarHBondContact O-N 2.81Å; A279-G282 PolarHBondContact O-N 3.11Å; A279-E283 VanDerWaalsContact O-CB 3.27Å; A279-E283 WeakPolarHBondContact O-CB 3.39Å; A279-E283 WeakPolarHBondContact O-CG 3.39Å; A279-E283 PolarHBondContact O-N 3.28Å; A279-K292 HydrophobicContact CB-CD 4.25Å; A279-M467 HydrophobicContact CB-CB 4.41Å
280M98.1Very high97.9Very high0 Ų010.8 Ų10.80%06%0.056CC..Hα-helixtrans-56.3-42.6172.7-81.6-65-82.300112.2Q276 Q277 S278 C284 C285 K292 D302 N304 W322 L331Q276-M280 PolarHBondContact O-N 2.68Å; Q277-M280 WeakPolarHBondContact O-CB 3.44Å; Q277-M280 PolarHBondContact O-N 3.06Å; S278-M280 VanDerWaalsContact C-N 3.32Å; S278-M280 PolarHBondContact O-N 3.2Å; M280-C284 PolarHBondContact O-N 3.07Å; M280-C285 HydrophobicContact CE-CB 3.58Å; M280-C285 WeakPolarHBondContact O-CB 3.36Å; M280-C285 PolarHBondContact O-N 2.79Å; M280-C285 HydrophobicContact SD-CB 3.85Å; M280-K292 HydrophobicContact CG-CB 4.39Å; M280-K292 VanDerWaalsContact CG-CE 3.47Å; M280-K292 HydrophobicContact SD-CB 3.17Å; M280-K292 WeakPolarHBondContact SD-CB 3.34Å; M280-K292 HydrophobicContact SD-CD 4.41Å; M280-K292 HydrophobicContact SD-CG 4.06Å; M280-D302 HydrophobicContact CE-CB 4.32Å; M280-D302 HydrophobicContact CG-CB 3.78Å; M280-D302 HydrophobicContact SD-CB 3.59Å; M280-D302 VanDerWaalsContact SD-CB 3.59Å; M280-N304 HydrophobicContact CE-CB 3.8Å; M280-W322 HydrophobicContact CB-CZ3 3.9Å; M280-L331 HydrophobicContact CB-CD1 4.43Å; M280-L331 HydrophobicContact CE-CD2 3.67Å; M280-L331 HydrophobicContact CG-CD1 3.77Å; M280-L331 HydrophobicContact CG-CD2 4.33Å
281F98.4Very high97.9Very high0 Ų010.5 Ų10.50%06%0.055CC..Hα-helixtrans-71.3-45.1-179.6-158.2-82000111.8Q277 S278 A279 E283 C284 F286 W322 I324 L475 L478 L489Q277-F281 PolarHBondContact O-N 2.65Å; Q277-F281 VanDerWaalsContact O-N 3.08Å; S278-F281 CarbonylContact O-C 3.57Å; S278-F281 WeakPolarHBondContact O-CA 3.45Å; S278-F281 WeakPolarHBondContact O-CB 3.45Å; S278-F281 PolarHBondContact O-N 3.08Å; A279-F281 VanDerWaalsContact C-N 3.27Å; A279-F281 PolarHBondContact O-N 2.81Å; F281-E283 VanDerWaalsContact C-N 3.29Å; F281-E283 PolarHBondContact O-N 3.14Å; F281-C284 WeakPolarHBondContact O-CA 3.39Å; F281-C284 PolarHBondContact O-N 3.09Å; F281-F286 AromaticContact CD1-CE1 3.85Å; F281-F286 HydrophobicContact CD1-CE1 3.85Å; F281-F286 HydrophobicContact CD1-CZ 4.2Å; F281-F286 HydrophobicContact CD2-CD1 4.3Å; F281-F286 AromaticContact CD2-CE1 3.69Å; F281-F286 HydrophobicContact CD2-CE1 3.69Å; F281-F286 AromaticContact CE1-CE1 3.85Å; F281-F286 HydrophobicContact CE1-CE1 3.85Å; F281-F286 HydrophobicContact CE1-CZ 4.01Å; F281-F286 HydrophobicContact CE2-CD1 4.28Å; F281-F286 AromaticContact CE2-CE1 3.7Å; F281-F286 HydrophobicContact CE2-CE1 3.7Å; F281-F286 AromaticContact CG-CE1 3.78Å; F281-F286 HydrophobicContact CG-CE1 3.78Å; F281-F286 AromaticContact CZ-CE1 3.78Å; F281-F286 HydrophobicContact CZ-CE1 3.78Å; F281-F286 HydrophobicContact CZ-CZ 4.18Å; F281-F286 WeakPolarHBondContact O-CE1 3.4Å; F281-F286 WeakPolarHBondContact O-CZ 3.3Å; F281-W322 HydrophobicContact CB-CE3 4.4Å; F281-W322 HydrophobicContact CB-CZ3 4.28Å; F281-W322 AromaticContact CD2-CD2 3.7Å; F281-W322 HydrophobicContact CD2-CD2 3.7Å; F281-W322 AromaticContact CD2-CE2 3.85Å; F281-W322 AromaticContact CD2-CE3 3.8Å; F281-W322 HydrophobicContact CD2-CE3 3.8Å; F281-W322 HydrophobicContact CD2-CG 4.23Å; F281-W322 HydrophobicContact CD2-CH2 4.21Å; F281-W322 HydrophobicContact CD2-CZ2 4.12Å; F281-W322 HydrophobicContact CD2-CZ3 4.06Å; F281-W322 HydrophobicContact CE2-CD2 4.19Å; F281-W322 HydrophobicContact CE2-CG 4.43Å; F281-W322 HydrophobicContact CE2-CZ2 4.48Å; F281-I324 HydrophobicContact CE2-CD1 3.76Å; F281-I324 HydrophobicContact CZ-CD1 4.1Å; F281-L475 HydrophobicContact CD1-CD2 4.2Å; F281-L475 HydrophobicContact CD1-CG 3.86Å; F281-L475 HydrophobicContact CD2-CD2 3.82Å; F281-L475 HydrophobicContact CD2-CG 4.22Å; F281-L475 HydrophobicContact CE1-CD2 4.01Å; F281-L475 HydrophobicContact CE1-CG 3.99Å; F281-L475 HydrophobicContact CE2-CD2 3.62Å; F281-L475 HydrophobicContact CE2-CG 4.34Å; F281-L475 HydrophobicContact CG-CD1 4.32Å; F281-L475 HydrophobicContact CG-CD2 4.11Å; F281-L475 HydrophobicContact CG-CG 3.98Å; F281-L475 HydrophobicContact CZ-CD2 3.72Å; F281-L475 HydrophobicContact CZ-CG 4.22Å; F281-L478 HydrophobicContact CE1-CD1 3.91Å; F281-L478 HydrophobicContact CZ-CD1 3.64Å; F281-L489 HydrophobicContact CE1-CD1 3.82Å
282G97.5Very high97.8Very high0 Ų010.5 Ų10.50%06%0.055CC..Hα-helixtrans-61.9-38.4176.400000111.8S278 A279 C284 M467S278-G282 PolarHBondContact O-N 2.95Å; A279-G282 PolarHBondContact O-N 3.11Å; G282-C284 PolarHBondContact O-N 3.38Å; G282-C284 VanDerWaalsContact O-N 3.12Å; G282-M467 VanDerWaalsContact C-CE 3.44Å; G282-M467 WeakPolarHBondContact O-CE 3.49Å
283E97.7Very high97.7Very high0 Ų010.8 Ų10.80%06%0.056CC..THydrogen-bonded Turntrans-69.3-2.3172.4-79.1-70.6-164.100113.3A279 F281 C285 K292 R436 D438 P462 M467 R493A279-E283 VanDerWaalsContact O-CB 3.27Å; A279-E283 WeakPolarHBondContact O-CB 3.39Å; A279-E283 WeakPolarHBondContact O-CG 3.39Å; A279-E283 PolarHBondContact O-N 3.28Å; F281-E283 VanDerWaalsContact C-N 3.29Å; F281-E283 PolarHBondContact O-N 3.14Å; E283-C285 PolarHBondContact O-N 3.09Å; E283-K292 HydrophobicContact CB-CG 4.39Å; E283-K292 HydrophobicContact CG-CG 4.04Å; E283-R436 HydrophobicContact CB-CB 4.36Å; E283-R436 HydrophobicContact CG-CB 4.27Å; E283-R436 WeakPolarHBondContact O-CD 3Å; E283-R436 VanDerWaalsContact O-CZ 3.28Å; E283-R436 PolarHBondContact O-NH1 3.02Å; E283-R436 WeakPolarHBondContact OE2-CD 3.29Å; E283-D438 WeakPolarHBondContact CG-OD2 3.36Å; E283-P462 WeakPolarHBondContact OE1-CD 3.4Å; E283-P462 WeakPolarHBondContact OE1-CG 3.36Å; E283-M467 HydrophobicContact CB-CE 4.33Å; E283-M467 VanDerWaalsContact CD-CE 3.46Å; E283-M467 HydrophobicContact CG-CB 4Å; E283-M467 HydrophobicContact CG-CE 3.85Å; E283-M467 HydrophobicContact CG-CG 3.87Å; E283-M467 WeakPolarHBondContact OE2-CE 3.25Å; E283-R493 IonicContact OE1-NH2 2.73Å; E283-R493 IonicContact OE2-CZ 2.86Å; E283-R493 IonicContact OE2-NE 3.57Å; E283-R493 PolarHBondContact OE2-NE 3.25Å; E283-R493 IonicContact OE2-NH2 3.04Å; E283-R493 PolarHBondContact OE2-NH2 3.25Å
284C97.7Very high97.5Very high3 Ų311.2 Ų11.22%0.026%0.059CC..THydrogen-bonded Turntrans56.633-177.1-57.50000113.2M280 F281 G282 F286 R436 K490M280-C284 PolarHBondContact O-N 3.07Å; F281-C284 WeakPolarHBondContact O-CA 3.39Å; F281-C284 PolarHBondContact O-N 3.09Å; G282-C284 PolarHBondContact O-N 3.38Å; G282-C284 VanDerWaalsContact O-N 3.12Å; C284-F286 HydrophobicContact CB-CD2 4.06Å; C284-F286 HydrophobicContact CB-CE2 3.58Å; C284-F286 HydrophobicContact CB-CZ 3.96Å; C284-F286 PolarHBondContact O-N 3.24Å; C284-R436 PolarHBondContact O-NH1 3.19Å; C284-K490 HydrophobicContact CB-CG 3.97Å
285C98.1Very high97.3Very high0 Ų011.2 Ų11.20%06%0.059CC..  trans-78.858.9175.2-710000111M280 E283 D290 N304M280-C285 HydrophobicContact CE-CB 3.58Å; M280-C285 WeakPolarHBondContact O-CB 3.36Å; M280-C285 PolarHBondContact O-N 2.79Å; M280-C285 HydrophobicContact SD-CB 3.85Å; E283-C285 PolarHBondContact O-N 3.09Å; C285-D290 WeakPolarHBondContact CA-OD2 3.45Å; C285-D290 HydrophobicContact CB-CB 3.66Å; C285-N304 PolarHBondContact O-ND2 3.05Å
286F97.7Very high96.9Very high21 Ų2111.6 Ų11.69%0.0927%0.067CC..  trans-85.1-17.5-171.2-55.6-44.1000114F281 C284 D290 N304 W322 K486 L489 K490F281-F286 AromaticContact CD1-CE1 3.85Å; F281-F286 HydrophobicContact CD1-CE1 3.85Å; F281-F286 HydrophobicContact CD1-CZ 4.2Å; F281-F286 HydrophobicContact CD2-CD1 4.3Å; F281-F286 AromaticContact CD2-CE1 3.69Å; F281-F286 HydrophobicContact CD2-CE1 3.69Å; F281-F286 AromaticContact CE1-CE1 3.85Å; F281-F286 HydrophobicContact CE1-CE1 3.85Å; F281-F286 HydrophobicContact CE1-CZ 4.01Å; F281-F286 HydrophobicContact CE2-CD1 4.28Å; F281-F286 AromaticContact CE2-CE1 3.7Å; F281-F286 HydrophobicContact CE2-CE1 3.7Å; F281-F286 AromaticContact CG-CE1 3.78Å; F281-F286 HydrophobicContact CG-CE1 3.78Å; F281-F286 AromaticContact CZ-CE1 3.78Å; F281-F286 HydrophobicContact CZ-CE1 3.78Å; F281-F286 HydrophobicContact CZ-CZ 4.18Å; F281-F286 WeakPolarHBondContact O-CE1 3.4Å; F281-F286 WeakPolarHBondContact O-CZ 3.3Å; C284-F286 HydrophobicContact CB-CD2 4.06Å; C284-F286 HydrophobicContact CB-CE2 3.58Å; C284-F286 HydrophobicContact CB-CZ 3.96Å; C284-F286 PolarHBondContact O-N 3.24Å; F286-D290 PolarHBondContact N-OD2 3.1Å; F286-N304 VanDerWaalsContact C-ND2 3.27Å; F286-N304 PolarHBondContact O-ND2 3.5Å; F286-W322 HydrophobicContact CD1-CH2 4.26Å; F286-W322 HydrophobicContact CD1-CZ2 4.05Å; F286-K486 HydrophobicContact CB-CD 4.33Å; F286-K486 HydrophobicContact CD1-CD 3.99Å; F286-K486 HydrophobicContact CD2-CB 3.75Å; F286-K486 HydrophobicContact CD2-CD 4.03Å; F286-K486 HydrophobicContact CD2-CG 4.19Å; F286-K486 HydrophobicContact CE1-CD 4.26Å; F286-K486 HydrophobicContact CE1-CG 4.47Å; F286-K486 HydrophobicContact CE2-CB 3.65Å; F286-K486 HydrophobicContact CE2-CD 4.3Å; F286-K486 HydrophobicContact CE2-CG 4.03Å; F286-K486 HydrophobicContact CG-CB 4.45Å; F286-K486 HydrophobicContact CG-CD 3.86Å; F286-K486 HydrophobicContact CG-CG 4.48Å; F286-K486 HydrophobicContact CZ-CB 4.27Å; F286-K486 HydrophobicContact CZ-CD 4.4Å; F286-K486 HydrophobicContact CZ-CG 4.17Å; F286-L489 HydrophobicContact CE2-CB 4.49Å; F286-L489 HydrophobicContact CZ-CD1 4.23Å; F286-K490 HydrophobicContact CD2-CG 4.19Å; F286-K490 HydrophobicContact CE2-CG 4.15Å
287Q97.6Very high96.4Very high99 Ų9913 Ų1346%0.4638%0.076SC..SBendtrans-95.9144.7-176.1-63.7-179.3-42.200111.2G289 D290 N304Q287-G289 PolarHBondContact O-N 3.06Å; Q287-D290 PolarHBondContact N-OD2 3.03Å; Q287-D290 VanDerWaalsContact N-OD2 3.1Å; Q287-D290 VanDerWaalsContact O-CB 3.22Å; Q287-D290 WeakPolarHBondContact O-CB 3.41Å; Q287-D290 PolarHBondContact O-N 2.91Å; Q287-N304 WeakPolarHBondContact O-CB 3.36Å
288T98.1Very high95.9Very high70 Ų7013.3 Ų13.343%0.4298%0.079SC..THydrogen-bonded Turntrans-53128.8169.5-56.50000110N304 G306 I430T288-N304 CarbonylContact C-O 3.59Å; T288-N304 WeakPolarHBondContact CA-O 3.22Å; T288-G306 VanDerWaalsContact OG1-CA 3.3Å; T288-G306 WeakPolarHBondContact OG1-CA 3.5Å; T288-G306 PolarHBondContact OG1-N 2.93Å; T288-I430 HydrophobicContact CG2-CD1 4.13Å; T288-I430 HydrophobicContact CG2-CG2 3.61Å
289G97.7Very high95.6Very high0 Ų013.3 Ų13.30%08%0.079CC..THydrogen-bonded Turntrans91.2-8.4-175.500000114.6Q287 V291 N304 P431 V432 T433Q287-G289 PolarHBondContact O-N 3.06Å; G289-V291 PolarHBondContact O-N 3.48Å; G289-N304 PolarHBondContact N-O 3.3Å; G289-P431 VanDerWaalsContact CA-O 3.31Å; G289-P431 WeakPolarHBondContact CA-O 3.45Å; G289-V432 WeakPolarHBondContact O-CA 3.27Å; G289-T433 PolarHBondContact O-N 3.09Å; G289-T433 PolarHBondContact O-OG1 3.47Å; G289-T433 VanDerWaalsContact O-OG1 3.09Å
290D98.5Very high95.5Very high0 Ų014.4 Ų14.40%08%0.083CC..EExtended strand (participates in β ladder)trans-67.4128.8170.2-72-9.8000108.2C285 F286 Q287 N304 T433 K434C285-D290 WeakPolarHBondContact CA-OD2 3.45Å; C285-D290 HydrophobicContact CB-CB 3.66Å; F286-D290 PolarHBondContact N-OD2 3.1Å; Q287-D290 PolarHBondContact N-OD2 3.03Å; Q287-D290 VanDerWaalsContact N-OD2 3.1Å; Q287-D290 VanDerWaalsContact O-CB 3.22Å; Q287-D290 WeakPolarHBondContact O-CB 3.41Å; Q287-D290 PolarHBondContact O-N 2.91Å; D290-N304 PolarHBondContact O-N 3.41Å; D290-T433 WeakPolarHBondContact CA-OG1 3.46Å; D290-T433 PolarHBondContact N-OG1 3.48Å; D290-T433 PolarHBondContact OD1-OG1 2.94Å; D290-K434 HydrophobicContact CB-CG 4.25Å; D290-K434 WeakPolarHBondContact OD1-CD 3.12Å; D290-K434 WeakPolarHBondContact OD1-CE 3.24Å; D290-K434 WeakPolarHBondContact OD1-CG 3.47Å; D290-K434 IonicContact OD1-NZ 3.65Å; D290-K434 PolarHBondContact OD1-NZ 3.12Å; D290-K434 IonicContact OD2-NZ 3.51Å; D290-K434 PolarHBondContact OD2-NZ 3.31Å; D290-K434 VanDerWaalsContact OD2-NZ 3.09Å
291V98.3Very high95.4Very high1 Ų114.6 Ų14.61%0.0069%0.085CC..EExtended strand (participates in β ladder)trans-114.5142.5-178.6176.30000109.8G289 L301 D302 V303 M424 V432 K434 I435 R436G289-V291 PolarHBondContact O-N 3.48Å; V291-L301 HydrophobicContact CG1-CD2 3.75Å; V291-L301 HydrophobicContact CG1-CG 4.04Å; V291-D302 CarbonylContact C-O 3.42Å; V291-D302 VanDerWaalsContact CA-O 3.29Å; V291-D302 WeakPolarHBondContact CA-O 3.49Å; V291-V303 HydrophobicContact CG2-CB 4.09Å; V291-V303 HydrophobicContact CG2-CG2 3.87Å; V291-M424 HydrophobicContact CG1-SD 4.37Å; V291-M424 HydrophobicContact CG2-CE 4.18Å; V291-M424 HydrophobicContact CG2-SD 3.77Å; V291-V432 HydrophobicContact CG2-CG1 3.91Å; V291-V432 HydrophobicContact CG2-CG2 4.1Å; V291-K434 PolarHBondContact N-O 2.91Å; V291-I435 HydrophobicContact CB-CG1 4.21Å; V291-I435 HydrophobicContact CG1-CG2 4.26Å; V291-I435 WeakPolarHBondContact O-CA 3.41Å; V291-R436 PolarHBondContact O-N 3.13Å
292K97.3Very high95.3Very high0 Ų014.6 Ų14.60%09%0.085CC..EExtended strand (participates in β ladder)trans-128.5137174.5-175.4-101.6-67.1170.80110.3Q276 A279 M280 E283 T294 L301 D302 R436 D438Q276-K292 WeakPolarHBondContact O-CE 3.31Å; Q276-K292 PolarHBondContact O-NZ 2.95Å; Q276-K292 VanDerWaalsContact OE1-NZ 3.13Å; A279-K292 HydrophobicContact CB-CD 4.25Å; M280-K292 HydrophobicContact CG-CB 4.39Å; M280-K292 VanDerWaalsContact CG-CE 3.47Å; M280-K292 HydrophobicContact SD-CB 3.17Å; M280-K292 WeakPolarHBondContact SD-CB 3.34Å; M280-K292 HydrophobicContact SD-CD 4.41Å; M280-K292 HydrophobicContact SD-CG 4.06Å; E283-K292 HydrophobicContact CB-CG 4.39Å; E283-K292 HydrophobicContact CG-CG 4.04Å; K292-T294 WeakPolarHBondContact CD-OG1 3.4Å; K292-T294 PolarHBondContact NZ-OG1 3.01Å; K292-T294 VanDerWaalsContact NZ-OG1 3.08Å; K292-L301 WeakPolarHBondContact O-CA 3.35Å; K292-D302 WeakPolarHBondContact CE-OD2 3.33Å; K292-D302 PolarHBondContact N-O 2.91Å; K292-D302 IonicContact NZ-OD2 3.14Å; K292-D302 PolarHBondContact NZ-OD2 3.49Å; K292-D302 PolarHBondContact O-N 2.65Å; K292-R436 CarbonylContact C-O 3.55Å; K292-R436 WeakPolarHBondContact CA-O 3.3Å; K292-D438 WeakPolarHBondContact CD-OD2 3.37Å
293L96.5Very high95.3Very high6 Ų614.7 Ų14.73%0.0319%0.085CC..EExtended strand (participates in β ladder)trans-119.391.8179.8-173.169.4000109.3M295 T299 F300 L301 N417 R436 A437 D438 T451L293-M295 HydrophobicContact CD2-CE 4.04Å; L293-M295 HydrophobicContact CD2-SD 4.21Å; L293-M295 HydrophobicContact CG-CE 4.37Å; L293-M295 HydrophobicContact CG-CG 4.23Å; L293-M295 HydrophobicContact CG-SD 4.48Å; L293-T299 HydrophobicContact CD1-CG2 3.41Å; L293-T299 VanDerWaalsContact CD1-CG2 3.41Å; L293-T299 HydrophobicContact CG-CG2 4.25Å; L293-F300 WeakPolarHBondContact CA-O 3.49Å; L293-L301 HydrophobicContact CD1-CB 4.12Å; L293-L301 HydrophobicContact CD1-CD1 4.28Å; L293-L301 HydrophobicContact CD1-CG 4.3Å; L293-N417 HydrophobicContact CD2-CB 4.3Å; L293-R436 PolarHBondContact N-O 3.3Å; L293-A437 HydrophobicContact CB-CB 4.35Å; L293-A437 VanDerWaalsContact O-CA 3.31Å; L293-A437 WeakPolarHBondContact O-CA 3.38Å; L293-D438 PolarHBondContact O-N 3.27Å; L293-T451 HydrophobicContact CD2-CG2 4.17Å
294T94.9Very high95.3Very high10 Ų1014.8 Ų14.86%0.0619%0.086CC..EExtended strand (participates in β ladder)trans-82.3117.8175.6-65.10000109.6Q276 K292 T299 F300 D438Q276-T294 VanDerWaalsContact OE1-CB 3.23Å; Q276-T294 PolarHBondContact OE1-OG1 3.36Å; Q276-T294 VanDerWaalsContact OE1-OG1 3.13Å; K292-T294 WeakPolarHBondContact CD-OG1 3.4Å; K292-T294 PolarHBondContact NZ-OG1 3.01Å; K292-T294 VanDerWaalsContact NZ-OG1 3.08Å; T294-T299 CarbonylContact O-C 3.59Å; T294-T299 VanDerWaalsContact O-CA 3.26Å; T294-T299 WeakPolarHBondContact O-CA 3.36Å; T294-F300 PolarHBondContact N-O 3.45Å; T294-F300 PolarHBondContact O-N 3.45Å; T294-D438 WeakPolarHBondContact CA-OD1 3.42Å; T294-D438 WeakPolarHBondContact CB-OD1 3.02Å; T294-D438 VanDerWaalsContact CG2-OD1 3.23Å; T294-D438 WeakPolarHBondContact CG2-OD1 3.41Å; T294-D438 PolarHBondContact OG1-OD1 3.32Å
295M93.1Very high95.3Very high0 Ų014.8 Ų14.80%09%0.085CC..EExtended strand (participates in β ladder)trans-111.381.8175.9-65.2176.5-79.200110.7L293 T299 T339 I413 N417 A437 D438 G439 G440 V441 C442 V447 M448L293-M295 HydrophobicContact CD2-CE 4.04Å; L293-M295 HydrophobicContact CD2-SD 4.21Å; L293-M295 HydrophobicContact CG-CE 4.37Å; L293-M295 HydrophobicContact CG-CG 4.23Å; L293-M295 HydrophobicContact CG-SD 4.48Å; M295-T299 HydrophobicContact CG-CG2 4.17Å; M295-T339 HydrophobicContact CB-CG2 4.19Å; M295-T339 HydrophobicContact CG-CG2 4.47Å; M295-I413 HydrophobicContact SD-CG2 4.29Å; M295-N417 PolarHBondContact SD-ND2 3.42Å; M295-N417 VanDerWaalsContact SD-ND2 3.38Å; M295-A437 HydrophobicContact CE-CB 4.23Å; M295-D438 PolarHBondContact N-O 2.83Å; M295-G439 CarbonylContact O-C 3.56Å; M295-G440 PolarHBondContact O-N 3.04Å; M295-V441 HydrophobicContact CB-CB 3.85Å; M295-V441 HydrophobicContact CB-CG1 4.37Å; M295-V441 PolarHBondContact O-N 3.19Å; M295-C442 HydrophobicContact CE-CB 3.73Å; M295-V447 HydrophobicContact SD-CG1 4.19Å; M295-M448 HydrophobicContact CE-CE 4.29Å; M295-M448 HydrophobicContact CE-SD 3.34Å; M295-M448 WeakPolarHBondContact CE-SD 3.29Å
296G88.3Confident95.3Very high25 Ų2515.3 Ų15.326%0.2589%0.091SC..SBendtrans-103.6-133.1174.200000111.3G298 G340G296-G298 VanDerWaalsContact C-N 3.25Å; G296-G298 CarbonylContact C-O 3.55Å; G296-G298 PolarHBondContact N-O 3.48Å; G296-G298 PolarHBondContact O-N 2.84Å; G296-G340 WeakPolarHBondContact O-CA 3.49Å; G296-G340 PolarHBondContact O-N 3.47Å
297T84.4Confident95.1Very high39 Ų3921 Ų2124%0.23912%0.122CC..SBendtrans-55.4-43173.5-59.30000111.5T339 G340 T341T297-T339 PolarHBondContact O-N 3.18Å; T297-G340 PolarHBondContact O-N 2.97Å; T297-T341 WeakPolarHBondContact CG2-OG1 2.98Å; T297-T341 PolarHBondContact O-N 3.27Å; T297-T341 PolarHBondContact O-OG1 3.1Å
298G88.6Confident94.8Very high5 Ų518.1 Ų18.15%0.05211%0.113CC..SBendtrans-116.4-178.4164.300000111.1G296 A336G296-G298 VanDerWaalsContact C-N 3.25Å; G296-G298 CarbonylContact C-O 3.55Å; G296-G298 PolarHBondContact N-O 3.48Å; G296-G298 PolarHBondContact O-N 2.84Å; G298-A336 CarbonylContact C-O 3.45Å; G298-A336 WeakPolarHBondContact CA-O 3.35Å
299T92.4Very high94.5Very high0 Ų015.9 Ų15.90%010%0.099CC..EExtended strand (participates in β ladder)trans-102.6128.2167.9-64.80000109.6L293 T294 M295 N335 A336 T339 N417 L420L293-T299 HydrophobicContact CD1-CG2 3.41Å; L293-T299 VanDerWaalsContact CD1-CG2 3.41Å; L293-T299 HydrophobicContact CG-CG2 4.25Å; T294-T299 CarbonylContact O-C 3.59Å; T294-T299 VanDerWaalsContact O-CA 3.26Å; T294-T299 WeakPolarHBondContact O-CA 3.36Å; M295-T299 HydrophobicContact CG-CG2 4.17Å; T299-N335 CarbonylContact O-C 3.58Å; T299-N335 WeakPolarHBondContact O-CA 3.4Å; T299-A336 PolarHBondContact N-O 3.25Å; T299-A336 PolarHBondContact O-N 2.78Å; T299-T339 PolarHBondContact N-OG1 3.25Å; T299-T339 WeakPolarHBondContact OG1-CB 3.3Å; T299-T339 WeakPolarHBondContact OG1-CG2 3.23Å; T299-T339 PolarHBondContact OG1-OG1 2.91Å; T299-N417 WeakPolarHBondContact CG2-OD1 3.17Å; T299-L420 HydrophobicContact CG2-CD1 3.94Å
300F93.9Very high94.1Very high23 Ų2317.7 Ų17.710%0.10111%0.107CC..EExtended strand (participates in β ladder)trans-118.4122.1172.2-60.1-87.6000108.5Q276 L293 T294 E333 N335Q276-F300 HydrophobicContact CG-CB 4.16Å; Q276-F300 HydrophobicContact CG-CD1 4.24Å; Q276-F300 HydrophobicContact CG-CD2 4.26Å; Q276-F300 HydrophobicContact CG-CG 3.96Å; L293-F300 WeakPolarHBondContact CA-O 3.49Å; T294-F300 PolarHBondContact N-O 3.45Å; T294-F300 PolarHBondContact O-N 3.45Å; F300-E333 HydrophobicContact CD1-CG 4.35Å; F300-E333 WeakPolarHBondContact CD1-OE1 3.08Å; F300-N335 HydrophobicContact CD1-CB 3.63Å; F300-N335 HydrophobicContact CE1-CB 3.77Å
301L96.3Very high93.4Very high5 Ų520.3 Ų20.33%0.02612%0.119CC..EExtended strand (participates in β ladder)trans-104.6108.8173-166.8159.5000107.8V291 K292 L293 F316 E333 G334 L420 M424V291-L301 HydrophobicContact CG1-CD2 3.75Å; V291-L301 HydrophobicContact CG1-CG 4.04Å; K292-L301 WeakPolarHBondContact O-CA 3.35Å; L293-L301 HydrophobicContact CD1-CB 4.12Å; L293-L301 HydrophobicContact CD1-CD1 4.28Å; L293-L301 HydrophobicContact CD1-CG 4.3Å; L301-F316 HydrophobicContact CD2-CE1 4.03Å; L301-F316 HydrophobicContact CD2-CZ 3.93Å; L301-F316 WeakPolarHBondContact O-CE1 3.4Å; L301-E333 WeakPolarHBondContact O-CA 3.21Å; L301-G334 PolarHBondContact N-O 2.92Å; L301-G334 PolarHBondContact O-N 3.09Å; L301-L420 HydrophobicContact CB-CB 4.33Å; L301-L420 HydrophobicContact CB-CD1 4.29Å; L301-L420 HydrophobicContact CD1-CB 3.97Å; L301-M424 HydrophobicContact CD2-CB 4.36Å; L301-M424 HydrophobicContact CD2-CG 4.19Å; L301-M424 HydrophobicContact CD2-SD 3.47Å; L301-M424 WeakPolarHBondContact CD2-SD 3.11Å
302D97.1Very high92.6Very high0 Ų020.9 Ų20.90%012%0.123CC..EExtended strand (participates in β ladder)trans-105.9136.7177.9-68.5-76.9000110.2M280 V291 K292 E333M280-D302 HydrophobicContact CE-CB 4.32Å; M280-D302 HydrophobicContact CG-CB 3.78Å; M280-D302 HydrophobicContact SD-CB 3.59Å; M280-D302 VanDerWaalsContact SD-CB 3.59Å; V291-D302 CarbonylContact C-O 3.42Å; V291-D302 VanDerWaalsContact CA-O 3.29Å; V291-D302 WeakPolarHBondContact CA-O 3.49Å; K292-D302 WeakPolarHBondContact CE-OD2 3.33Å; K292-D302 PolarHBondContact N-O 2.91Å; K292-D302 IonicContact NZ-OD2 3.14Å; K292-D302 PolarHBondContact NZ-OD2 3.49Å; K292-D302 PolarHBondContact O-N 2.65Å; D302-E333 WeakPolarHBondContact OD1-CB 3.15Å; D302-E333 WeakPolarHBondContact OD1-CG 3.5Å
303V97.6Very high91.6Very high2 Ų227.4 Ų27.41%0.01216%0.156CC..EExtended strand (participates in β ladder)trans-121.5132.716961.30000110.2V291 T305 L331 A332 M424 I428V291-V303 HydrophobicContact CG2-CB 4.09Å; V291-V303 HydrophobicContact CG2-CG2 3.87Å; V303-T305 HydrophobicContact CG1-CG2 3.98Å; V303-T305 PolarHBondContact O-N 3.37Å; V303-L331 VanDerWaalsContact O-CA 3.27Å; V303-L331 WeakPolarHBondContact O-CA 3.43Å; V303-A332 HydrophobicContact CG1-CB 3.88Å; V303-A332 PolarHBondContact N-O 2.99Å; V303-A332 PolarHBondContact O-N 3.25Å; V303-M424 HydrophobicContact CB-SD 4.09Å; V303-M424 HydrophobicContact CG1-CG 4.46Å; V303-M424 HydrophobicContact CG1-SD 4.43Å; V303-M424 HydrophobicContact CG2-SD 4.43Å; V303-I428 HydrophobicContact CG1-CD1 3.39Å; V303-I428 HydrophobicContact CG1-CG2 4.17Å
304N98.4Very high90.3Very high1 Ų128 Ų281%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-72.9119.7171.6-177.6-31.5000109.5M280 C285 F286 Q287 T288 G289 D290 G306 L331M280-N304 HydrophobicContact CE-CB 3.8Å; C285-N304 PolarHBondContact O-ND2 3.05Å; F286-N304 VanDerWaalsContact C-ND2 3.27Å; F286-N304 PolarHBondContact O-ND2 3.5Å; Q287-N304 WeakPolarHBondContact O-CB 3.36Å; T288-N304 CarbonylContact C-O 3.59Å; T288-N304 WeakPolarHBondContact CA-O 3.22Å; G289-N304 PolarHBondContact N-O 3.3Å; D290-N304 PolarHBondContact O-N 3.41Å; N304-G306 PolarHBondContact OD1-N 2.81Å; N304-L331 HydrophobicContact CB-CD2 4.17Å
305T97.5Very high89.5Confident3 Ų328.9 Ų28.92%0.01818%0.175CC..  trans-107.117.6-176.666.60000112.5V303 S308 Q310 C330 A332 I430V303-T305 HydrophobicContact CG1-CG2 3.98Å; V303-T305 PolarHBondContact O-N 3.37Å; T305-S308 VanDerWaalsContact CB-O 3.24Å; T305-S308 WeakPolarHBondContact CB-O 3.36Å; T305-S308 WeakPolarHBondContact O-CB 3.39Å; T305-S308 PolarHBondContact O-N 3.3Å; T305-S308 VanDerWaalsContact O-N 3.15Å; T305-S308 PolarHBondContact OG1-O 3.03Å; T305-Q310 HydrophobicContact CG2-CB 4.43Å; T305-Q310 HydrophobicContact CG2-CG 3.55Å; T305-C330 PolarHBondContact N-O 3.36Å; T305-C330 WeakPolarHBondContact OG1-CB 3.08Å; T305-C330 PolarHBondContact OG1-O 3Å; T305-A332 HydrophobicContact CG2-CB 4.04Å; T305-I430 HydrophobicContact CG2-CD1 3.97Å
306G97Very high89.2Confident12 Ų1229.1 Ų29.112%0.12418%0.176CC..THydrogen-bonded Turntrans62.2-135.9-17500000110.8T288 N304 S308 V329 C330T288-G306 VanDerWaalsContact OG1-CA 3.3Å; T288-G306 WeakPolarHBondContact OG1-CA 3.5Å; T288-G306 PolarHBondContact OG1-N 2.93Å; N304-G306 PolarHBondContact OD1-N 2.81Å; G306-S308 PolarHBondContact O-N 3.05Å; G306-V329 CarbonylContact O-C 3.59Å; G306-V329 WeakPolarHBondContact O-CA 3.39Å; G306-C330 WeakPolarHBondContact O-CB 3.36Å; G306-C330 PolarHBondContact O-N 2.98Å
307N94.9Very high89.2Confident139 Ų13931.3 Ų31.374%0.74318%0.177SC*.THydrogen-bonded Turntrans-86.912.6174.764.56.4000113.4
308S90.6Very high89.6Confident39 Ų3930 Ų3027%0.27317%0.169SC..  trans-108.6112.6-170.6-158.20000112T305 G306 Q310T305-S308 VanDerWaalsContact CB-O 3.24Å; T305-S308 WeakPolarHBondContact CB-O 3.36Å; T305-S308 WeakPolarHBondContact O-CB 3.39Å; T305-S308 PolarHBondContact O-N 3.3Å; T305-S308 VanDerWaalsContact O-N 3.15Å; T305-S308 PolarHBondContact OG1-O 3.03Å; G306-S308 PolarHBondContact O-N 3.05Å; S308-Q310 PolarHBondContact O-N 2.89Å; S308-Q310 PolarHBondContact O-NE2 3.47Å; S308-Q310 PolarHBondContact OG-NE2 3.16Å
309L91.8Very high89.9Confident23 Ų2329.9 Ų29.912%0.1217%0.167CC..  trans-67.3125.1172.2-67.6164000110.4P225 Y226 P318 I320 C330P225-L309 HydrophobicContact CB-CD1 3.74Å; P225-L309 HydrophobicContact CB-CD2 3.87Å; P225-L309 HydrophobicContact CB-CG 4.47Å; P225-L309 HydrophobicContact CG-CD1 3.92Å; P225-L309 HydrophobicContact CG-CD2 4.29Å; Y226-L309 HydrophobicContact CD1-CD1 3.87Å; Y226-L309 HydrophobicContact CD2-CD1 3.92Å; Y226-L309 HydrophobicContact CE1-CB 4.41Å; Y226-L309 HydrophobicContact CE1-CD1 3.86Å; Y226-L309 HydrophobicContact CE2-CD1 3.89Å; Y226-L309 HydrophobicContact CG-CD1 3.9Å; L309-P318 HydrophobicContact CD2-CB 4.13Å; L309-I320 HydrophobicContact CD2-CD1 4.25Å; L309-C330 HydrophobicContact CD2-CB 4.07Å
310Q88.2Confident90.2Very high38 Ų3829.9 Ų29.918%0.17817%0.167CC..  trans-100.2106.6177-58.7-56.9-51.100109.6T305 S308 A332 I428 I430T305-Q310 HydrophobicContact CG2-CB 4.43Å; T305-Q310 HydrophobicContact CG2-CG 3.55Å; S308-Q310 PolarHBondContact O-N 2.89Å; S308-Q310 PolarHBondContact O-NE2 3.47Å; S308-Q310 PolarHBondContact OG-NE2 3.16Å; Q310-A332 HydrophobicContact CB-CB 4.31Å; Q310-I428 HydrophobicContact CG-CG2 4.37Å; Q310-I430 HydrophobicContact CG-CD1 4.39Å
311Q84.2Confident90.4Very high55 Ų5528.8 Ų28.826%0.25716%0.162SC..  trans-84.5124.3172.2-174.26450.100109.4F156 A157 L160F156-Q311 HydrophobicContact CD1-CB 4.49Å; F156-Q311 HydrophobicContact CD1-CG 4.42Å; F156-Q311 HydrophobicContact CE1-CG 4.36Å; A157-Q311 HydrophobicContact CB-CG 4.23Å; A157-Q311 VanDerWaalsContact CB-OE1 3.31Å; L160-Q311 HydrophobicContact CB-CG 4.47Å; L160-Q311 HydrophobicContact CD1-CG 3.72Å
312T81.3Confident90.5Very high13 Ų1328.6 Ų28.68%0.0816%0.161CC..  trans-120.8170.5179.682.60000112F316 E427 I428T312-F316 HydrophobicContact CG2-CB 3.6Å; T312-F316 WeakPolarHBondContact OG1-CA 3.37Å; T312-F316 WeakPolarHBondContact OG1-CB 3.11Å; T312-F316 PolarHBondContact OG1-N 3.32Å; T312-F316 PolarHBondContact OG1-O 2.97Å; T312-E427 VanDerWaalsContact CB-OE2 3.23Å; T312-E427 WeakPolarHBondContact CB-OE2 3.48Å; T312-E427 HydrophobicContact CG2-CB 4.01Å; T312-E427 PolarHBondContact OG1-OE2 3.31Å; T312-I428 HydrophobicContact CG2-CG1 4.38Å
313I77Confident90.5Very high138 Ų13830.5 Ų30.571%0.70817%0.17SC*.SBendtrans-114.8-30.4179.3-58.4174.1000110.7L160 E427L160-I313 HydrophobicContact CD1-CG1 4.14Å; I313-E427 PolarHBondContact N-OE1 3.17Å
314G69.4Low90.5Very high18 Ų1832.4 Ų32.419%0.18618%0.179CC..SBendtrans-80.1-14-17300000114.6E427G314-E427 WeakPolarHBondContact CA-OE1 3.4Å; G314-E427 VanDerWaalsContact CA-OE2 3.25Å; G314-E427 WeakPolarHBondContact CA-OE2 3.39Å; G314-E427 PolarHBondContact N-OE1 2.89Å; G314-E427 PolarHBondContact N-OE2 3.37Å
315G78.4Confident90.3Very high29 Ų2934.3 Ų34.330%0.29920%0.2SC..SBendtrans133.86.4167.500000115.7
316F86.6Confident90.2Very high4 Ų443.8 Ų43.82%0.01824%0.244CC..PPolyproline II helixtrans-75.4123.9168.8-89-96.1000110.9L301 T312 A332 E333 M423 M424 I428L301-F316 HydrophobicContact CD2-CE1 4.03Å; L301-F316 HydrophobicContact CD2-CZ 3.93Å; L301-F316 WeakPolarHBondContact O-CE1 3.4Å; T312-F316 HydrophobicContact CG2-CB 3.6Å; T312-F316 WeakPolarHBondContact OG1-CA 3.37Å; T312-F316 WeakPolarHBondContact OG1-CB 3.11Å; T312-F316 PolarHBondContact OG1-N 3.32Å; T312-F316 PolarHBondContact OG1-O 2.97Å; F316-A332 HydrophobicContact CB-CB 4.42Å; F316-A332 HydrophobicContact CD1-CB 3.9Å; F316-E333 CarbonylContact C-O 3.59Å; F316-E333 VanDerWaalsContact CA-O 3.23Å; F316-E333 WeakPolarHBondContact CA-O 3.43Å; F316-M423 HydrophobicContact CD2-CE 3.4Å; F316-M423 VanDerWaalsContact CD2-CE 3.4Å; F316-M423 HydrophobicContact CD2-CG 4.09Å; F316-M423 HydrophobicContact CD2-SD 4.31Å; F316-M423 HydrophobicContact CE2-CB 4.34Å; F316-M423 HydrophobicContact CE2-CE 3.23Å; F316-M423 HydrophobicContact CE2-CG 4.01Å; F316-M423 HydrophobicContact CE2-SD 4.39Å; F316-M423 HydrophobicContact CZ-CE 4.24Å; F316-M424 HydrophobicContact CE1-CB 4.35Å; F316-M424 HydrophobicContact CE1-CG 4.29Å; F316-M424 HydrophobicContact CE2-CB 3.76Å; F316-M424 HydrophobicContact CE2-CG 4.46Å; F316-M424 HydrophobicContact CZ-CB 3.54Å; F316-M424 HydrophobicContact CZ-CG 3.95Å; F316-I428 HydrophobicContact CB-CD1 4.35Å; F316-I428 HydrophobicContact CD1-CD1 3.6Å; F316-I428 HydrophobicContact CD2-CD1 4.45Å; F316-I428 HydrophobicContact CE1-CD1 4Å; F316-I428 HydrophobicContact CG-CD1 3.89Å
317Y88.8Confident90.2Very high71 Ų7146.7 Ų46.728%0.27825%0.254SS..EExtended strand (participates in β ladder)trans-94.7128.9178.5-167.6-104.5000110.8Q167 L319 A332 E333Q167-Y317 PolarHBondContact NE2-OH 3.32Å; Y317-L319 HydrophobicContact CD1-CD2 3.51Å; Y317-L319 HydrophobicContact CD1-CG 3.87Å; Y317-L319 HydrophobicContact CE1-CD2 3.7Å; Y317-L319 HydrophobicContact CE1-CG 4.47Å; Y317-A332 WeakPolarHBondContact O-CA 3.22Å; Y317-E333 PolarHBondContact N-O 3.3Å; Y317-E333 PolarHBondContact O-N 3.12Å
318P92.4Very high90.4Very high11 Ų1142 Ų427%0.07123%0.23CC..EExtended strand (participates in β ladder)trans-72.9128.8174.928.5-32.2000110.6L309L309-P318 HydrophobicContact CD2-CB 4.13Å
319L95.3Very high90.7Very high3 Ų340.5 Ų40.52%0.01622%0.219CC..EExtended strand (participates in β ladder)trans-127.6158.2-178.8-68.9170.7000110.7T219 Y317 C330 L331 E333T219-L319 HydrophobicContact CG2-CD2 3.77Å; Y317-L319 HydrophobicContact CD1-CD2 3.51Å; Y317-L319 HydrophobicContact CD1-CG 3.87Å; Y317-L319 HydrophobicContact CE1-CD2 3.7Å; Y317-L319 HydrophobicContact CE1-CG 4.47Å; L319-C330 WeakPolarHBondContact O-CA 3.02Å; L319-L331 HydrophobicContact CB-CB 4.36Å; L319-L331 PolarHBondContact N-O 3.11Å; L319-L331 PolarHBondContact O-N 3.32Å; L319-E333 HydrophobicContact CD1-CB 3.7Å
320I97.9Very high91Very high0 Ų039.6 Ų39.60%022%0.215CC..EExtended strand (participates in β ladder)trans-85.1122.8159.8-54.1-56.5000107F214 S215 S218 F223 P225 M228 Q277 L309F214-I320 HydrophobicContact CB-CB 4.29Å; F214-I320 HydrophobicContact CB-CG2 3.79Å; S215-I320 WeakPolarHBondContact CA-O 3.45Å; S218-I320 PolarHBondContact OG-N 3.11Å; F223-I320 HydrophobicContact CE1-CG1 4.12Å; P225-I320 HydrophobicContact CB-CD1 3.9Å; P225-I320 HydrophobicContact CB-CG1 4.31Å; M228-I320 HydrophobicContact CE-CD1 4.16Å; M228-I320 HydrophobicContact CE-CG1 4.27Å; M228-I320 HydrophobicContact CE-CG2 4.25Å; M228-I320 HydrophobicContact SD-CD1 3.64Å; M228-I320 HydrophobicContact SD-CG1 4.06Å; Q277-I320 WeakPolarHBondContact CG-O 3.26Å; Q277-I320 PolarHBondContact NE2-O 2.87Å; Q277-I320 VanDerWaalsContact NE2-O 3.16Å; L309-I320 HydrophobicContact CD2-CD1 4.25Å
321G97.8Very high91.5Very high0 Ų037.8 Ų37.80%021%0.206CC..EExtended strand (participates in β ladder)trans-70.1-62.8172.700000110.1S215 Q277 V329S215-G321 WeakPolarHBondContact CB-O 3.49Å; Q277-G321 VanDerWaalsContact CB-O 3.29Å; Q277-G321 WeakPolarHBondContact CB-O 3.33Å; Q277-G321 VanDerWaalsContact CG-O 3.29Å; Q277-G321 WeakPolarHBondContact CG-O 3.34Å; G321-V329 WeakPolarHBondContact CA-O 3.37Å; G321-V329 PolarHBondContact N-O 3Å
322W98.3Very high92Very high1 Ų135.1 Ų35.10%0.00419%0.194CC..EExtended strand (participates in β ladder)trans-158.3160.4174.250.682.7000110.3T251 M280 F281 F286 I324 V329T251-W322 HydrophobicContact CG2-CB 3.94Å; T251-W322 WeakPolarHBondContact OG1-CA 3.4Å; M280-W322 HydrophobicContact CB-CZ3 3.9Å; F281-W322 HydrophobicContact CB-CE3 4.4Å; F281-W322 HydrophobicContact CB-CZ3 4.28Å; F281-W322 AromaticContact CD2-CD2 3.7Å; F281-W322 HydrophobicContact CD2-CD2 3.7Å; F281-W322 AromaticContact CD2-CE2 3.85Å; F281-W322 AromaticContact CD2-CE3 3.8Å; F281-W322 HydrophobicContact CD2-CE3 3.8Å; F281-W322 HydrophobicContact CD2-CG 4.23Å; F281-W322 HydrophobicContact CD2-CH2 4.21Å; F281-W322 HydrophobicContact CD2-CZ2 4.12Å; F281-W322 HydrophobicContact CD2-CZ3 4.06Å; F281-W322 HydrophobicContact CE2-CD2 4.19Å; F281-W322 HydrophobicContact CE2-CG 4.43Å; F281-W322 HydrophobicContact CE2-CZ2 4.48Å; F286-W322 HydrophobicContact CD1-CH2 4.26Å; F286-W322 HydrophobicContact CD1-CZ2 4.05Å; W322-I324 HydrophobicContact CG-CD1 4.46Å; W322-V329 HydrophobicContact CD2-CB 4.09Å; W322-V329 HydrophobicContact CD2-CG1 4.45Å; W322-V329 HydrophobicContact CG-CB 4.37Å; W322-V329 HydrophobicContact CH2-CG1 4.08Å; W322-V329 HydrophobicContact CZ2-CB 3.88Å; W322-V329 HydrophobicContact CZ2-CG1 3.72Å; W322-V329 HydrophobicContact CZ2-CG2 3.85Å; W322-V329 PolarHBondContact N-O 3.02Å; W322-V329 PolarHBondContact O-N 3.13Å
323K97.8Very high92.6Very high40 Ų4035.2 Ų35.217%0.17419%0.194CC..EExtended strand (participates in β ladder)trans-125.7125.4164.2-175.2178.6179-58.10110.1F214 M228 D250 T251 G325 E327 V328F214-K323 HydrophobicContact CB-CB 4.43Å; F214-K323 HydrophobicContact CD2-CB 3.61Å; F214-K323 HydrophobicContact CD2-CD 3.69Å; F214-K323 HydrophobicContact CD2-CG 4.23Å; F214-K323 HydrophobicContact CE1-CD 4.49Å; F214-K323 HydrophobicContact CE2-CB 4.21Å; F214-K323 HydrophobicContact CE2-CD 3.41Å; F214-K323 VanDerWaalsContact CE2-CD 3.41Å; F214-K323 HydrophobicContact CE2-CG 4.34Å; F214-K323 HydrophobicContact CG-CB 4.13Å; F214-K323 HydrophobicContact CG-CD 4.36Å; F214-K323 HydrophobicContact CZ-CD 3.84Å; M228-K323 HydrophobicContact CE-CD 4.06Å; D250-K323 WeakPolarHBondContact CB-O 3.41Å; D250-K323 VanDerWaalsContact CG-NZ 3.26Å; D250-K323 WeakPolarHBondContact OD1-CD 3.44Å; D250-K323 IonicContact OD1-NZ 3.9Å; D250-K323 PolarHBondContact OD1-NZ 3.03Å; D250-K323 IonicContact OD2-NZ 3.32Å; D250-K323 PolarHBondContact OD2-NZ 3.24Å; T251-K323 PolarHBondContact N-O 3.32Å; T251-K323 PolarHBondContact OG1-N 2.76Å; T251-K323 VanDerWaalsContact OG1-N 3.08Å; K323-G325 PolarHBondContact NZ-O 3.43Å; K323-E327 CarbonylContact C-O 3.59Å; K323-E327 VanDerWaalsContact CA-O 3.27Å; K323-E327 WeakPolarHBondContact CA-O 3.42Å; K323-E327 WeakPolarHBondContact CG-O 3.15Å; K323-V328 HydrophobicContact CD-CG2 4.04Å; K323-V328 HydrophobicContact CG-CG2 3.91Å
324I96.8Very high93.3Very high42 Ų4228.6 Ų28.622%0.21516%0.16CC..EExtended strand (participates in β ladder)trans-131.8101.1179.7-55.3173.8000108F281 W322 Q326 E327 L475F281-I324 HydrophobicContact CE2-CD1 3.76Å; F281-I324 HydrophobicContact CZ-CD1 4.1Å; W322-I324 HydrophobicContact CG-CD1 4.46Å; I324-Q326 PolarHBondContact O-N 2.98Å; I324-Q326 VanDerWaalsContact O-N 3.16Å; I324-E327 PolarHBondContact N-O 2.98Å; I324-E327 WeakPolarHBondContact O-CB 3.43Å; I324-E327 PolarHBondContact O-N 2.95Å; I324-L475 HydrophobicContact CD1-CD2 3.68Å; I324-L475 HydrophobicContact CG1-CD2 4.33Å
325G94.6Very high94.3Very high42 Ų4228.8 Ų28.843%0.43316%0.157SC..THydrogen-bonded Turntrans61-119.2-175.500000110.7D250 K323D250-G325 WeakPolarHBondContact OD2-CA 3.37Å; D250-G325 PolarHBondContact OD2-N 3.26Å; K323-G325 PolarHBondContact NZ-O 3.43Å
326Q95.5Very high94.6Very high201 Ų20127.5 Ų27.594%0.93914%0.143SC*.THydrogen-bonded Turntrans-84.1-14.5177.8-65.4-176.8-5.800113.5I324 V328I324-Q326 PolarHBondContact O-N 2.98Å; I324-Q326 VanDerWaalsContact O-N 3.16Å; Q326-V328 PolarHBondContact O-N 3.36Å
327E97.1Very high94.4Very high73 Ų7328.2 Ų28.234%0.34115%0.152SC..EExtended strand (participates in β ladder)trans-77.3125.4-178.8-171.1-169.6-178.300110.4K323 I324 V329 K486K323-E327 CarbonylContact C-O 3.59Å; K323-E327 VanDerWaalsContact CA-O 3.27Å; K323-E327 WeakPolarHBondContact CA-O 3.42Å; K323-E327 WeakPolarHBondContact CG-O 3.15Å; I324-E327 PolarHBondContact N-O 2.98Å; I324-E327 WeakPolarHBondContact O-CB 3.43Å; I324-E327 PolarHBondContact O-N 2.95Å; E327-V329 HydrophobicContact CG-CG2 4.19Å; E327-V329 WeakPolarHBondContact OE1-CG2 3.47Å; E327-K486 IonicContact OE1-NZ 2.72Å; E327-K486 PolarHBondContact OE1-NZ 2.96Å; E327-K486 WeakPolarHBondContact OE2-CE 3.42Å; E327-K486 IonicContact OE2-NZ 2.87Å; E327-K486 PolarHBondContact OE2-NZ 2.99Å
328V97.8Very high94.2Very high41 Ų4125.1 Ų25.125%0.24814%0.14CC..EExtended strand (participates in β ladder)trans-120.2122.8168.6179.40000107.8M228 K323 Q326M228-V328 HydrophobicContact CE-CG1 3.88Å; M228-V328 HydrophobicContact CE-CG2 4.14Å; M228-V328 HydrophobicContact SD-CG1 4.46Å; K323-V328 HydrophobicContact CD-CG2 4.04Å; K323-V328 HydrophobicContact CG-CG2 3.91Å; Q326-V328 PolarHBondContact O-N 3.36Å
329V98.3Very high94.1Very high7 Ų724.8 Ų24.84%0.04214%0.138CC..EExtended strand (participates in β ladder)trans-112.9129.1171.8175.50000108.7G306 G321 W322 E327 L331G306-V329 CarbonylContact O-C 3.59Å; G306-V329 WeakPolarHBondContact O-CA 3.39Å; G321-V329 WeakPolarHBondContact CA-O 3.37Å; G321-V329 PolarHBondContact N-O 3Å; W322-V329 HydrophobicContact CD2-CB 4.09Å; W322-V329 HydrophobicContact CD2-CG1 4.45Å; W322-V329 HydrophobicContact CG-CB 4.37Å; W322-V329 HydrophobicContact CH2-CG1 4.08Å; W322-V329 HydrophobicContact CZ2-CB 3.88Å; W322-V329 HydrophobicContact CZ2-CG1 3.72Å; W322-V329 HydrophobicContact CZ2-CG2 3.85Å; W322-V329 PolarHBondContact N-O 3.02Å; W322-V329 PolarHBondContact O-N 3.13Å; E327-V329 HydrophobicContact CG-CG2 4.19Å; E327-V329 WeakPolarHBondContact OE1-CG2 3.47Å; V329-L331 HydrophobicContact CG1-CD2 4.38Å
330C98Very high93.9Very high4 Ų425.1 Ų25.13%0.02714%0.141CC..EExtended strand (participates in β ladder)trans-99.3149.1174-62.20000109.1T305 G306 L309 L319T305-C330 PolarHBondContact N-O 3.36Å; T305-C330 WeakPolarHBondContact OG1-CB 3.08Å; T305-C330 PolarHBondContact OG1-O 3Å; G306-C330 WeakPolarHBondContact O-CB 3.36Å; G306-C330 PolarHBondContact O-N 2.98Å; L309-C330 HydrophobicContact CD2-CB 4.07Å; L319-C330 WeakPolarHBondContact O-CA 3.02Å
331L97.3Very high93.5Very high0 Ų027 Ų270%015%0.153CC..EExtended strand (participates in β ladder)trans-120159.6169.8-54.7-179.1000109.5Q277 M280 V303 N304 L319 V329Q277-L331 HydrophobicContact CG-CD1 3.81Å; M280-L331 HydrophobicContact CB-CD1 4.43Å; M280-L331 HydrophobicContact CE-CD2 3.67Å; M280-L331 HydrophobicContact CG-CD1 3.77Å; M280-L331 HydrophobicContact CG-CD2 4.33Å; V303-L331 VanDerWaalsContact O-CA 3.27Å; V303-L331 WeakPolarHBondContact O-CA 3.43Å; N304-L331 HydrophobicContact CB-CD2 4.17Å; L319-L331 HydrophobicContact CB-CB 4.36Å; L319-L331 PolarHBondContact N-O 3.11Å; L319-L331 PolarHBondContact O-N 3.32Å; V329-L331 HydrophobicContact CG1-CD2 4.38Å
332A95.4Very high93.3Very high0 Ų027 Ų270%015%0.153CC..EExtended strand (participates in β ladder)trans-119.1130.3156.900000108V303 T305 Q310 F316 Y317 I428V303-A332 HydrophobicContact CG1-CB 3.88Å; V303-A332 PolarHBondContact N-O 2.99Å; V303-A332 PolarHBondContact O-N 3.25Å; T305-A332 HydrophobicContact CG2-CB 4.04Å; Q310-A332 HydrophobicContact CB-CB 4.31Å; F316-A332 HydrophobicContact CB-CB 4.42Å; F316-A332 HydrophobicContact CD1-CB 3.9Å; Y317-A332 WeakPolarHBondContact O-CA 3.22Å; A332-I428 HydrophobicContact CB-CD1 3.41Å; A332-I428 VanDerWaalsContact CB-CD1 3.41Å
333E94.4Very high93.2Very high14 Ų1427.9 Ų27.97%0.06516%0.158CC..EExtended strand (participates in β ladder)trans-116.8129.6-177.8-175.5-178.698.700111R98 Q276 F300 L301 D302 F316 Y317 L319R98-E333 IonicContact CZ-OE1 2.87Å; R98-E333 IonicContact CZ-OE2 2.91Å; R98-E333 VanDerWaalsContact CZ-OE2 3.22Å; R98-E333 VanDerWaalsContact NH1-CD 3.25Å; R98-E333 IonicContact NH1-OE1 3.39Å; R98-E333 PolarHBondContact NH1-OE1 2.81Å; R98-E333 VanDerWaalsContact NH1-OE1 3.14Å; R98-E333 IonicContact NH1-OE2 3.11Å; R98-E333 PolarHBondContact NH1-OE2 3.33Å; R98-E333 VanDerWaalsContact NH2-CD 3.34Å; R98-E333 IonicContact NH2-OE1 3.53Å; R98-E333 PolarHBondContact NH2-OE1 2.82Å; R98-E333 IonicContact NH2-OE2 2.64Å; R98-E333 PolarHBondContact NH2-OE2 2.98Å; Q276-E333 WeakPolarHBondContact CB-OE2 3.41Å; Q276-E333 WeakPolarHBondContact CG-OE2 3.49Å; F300-E333 HydrophobicContact CD1-CG 4.35Å; F300-E333 WeakPolarHBondContact CD1-OE1 3.08Å; L301-E333 WeakPolarHBondContact O-CA 3.21Å; D302-E333 WeakPolarHBondContact OD1-CB 3.15Å; D302-E333 WeakPolarHBondContact OD1-CG 3.5Å; F316-E333 CarbonylContact C-O 3.59Å; F316-E333 VanDerWaalsContact CA-O 3.23Å; F316-E333 WeakPolarHBondContact CA-O 3.43Å; Y317-E333 PolarHBondContact N-O 3.3Å; Y317-E333 PolarHBondContact O-N 3.12Å; L319-E333 HydrophobicContact CD1-CB 3.7Å
334G92.2Very high92.9Very high0 Ų030.7 Ų30.70%017%0.17CC..EExtended strand (participates in β ladder)trans-111.5139.216500000109.1L301L301-G334 PolarHBondContact N-O 2.92Å; L301-G334 PolarHBondContact O-N 3.09Å
335N89.5Confident92.8Very high22 Ų2232 Ų3212%0.11817%0.172CC..EExtended strand (participates in β ladder)trans-122.3149.5-179.967.213.1000113.1Q166 T299 F300 Q381Q166-N335 PolarHBondContact NE2-ND2 2.91Å; Q166-N335 PolarHBondContact OE1-ND2 2.82Å; T299-N335 CarbonylContact O-C 3.58Å; T299-N335 WeakPolarHBondContact O-CA 3.4Å; F300-N335 HydrophobicContact CD1-CB 3.63Å; F300-N335 HydrophobicContact CE1-CB 3.77Å; N335-Q381 WeakPolarHBondContact O-CB 3.3Å
336A85.8Confident92.9Very high2 Ų230 Ų302%0.01715%0.151CC..EExtended strand (participates in β ladder)trans-126.9127.8163.500000107.8G298 T299 R416 L420G298-A336 CarbonylContact C-O 3.45Å; G298-A336 WeakPolarHBondContact CA-O 3.35Å; T299-A336 PolarHBondContact N-O 3.25Å; T299-A336 PolarHBondContact O-N 2.78Å; A336-R416 HydrophobicContact CB-CB 4.46Å; A336-L420 HydrophobicContact CB-CD1 3.82Å; A336-L420 HydrophobicContact CB-CG 4.34Å
337G82.4Confident92.9Very high19 Ų1924 Ų2420%0.19612%0.124CC..  trans-68.5176.8176.400000112.5T339 Q381G337-T339 VanDerWaalsContact C-N 3.31Å; G337-T339 PolarHBondContact O-N 3.01Å; G337-T339 VanDerWaalsContact O-N 3.1Å; G337-Q381 VanDerWaalsContact CA-OE1 3.3Å
338D84Confident92.8Very high6 Ų627.8 Ų27.83%0.03214%0.141CC..  trans57.930.3159.4-57.2-29.1000117.4A342 P375 F377 N378D338-A342 WeakPolarHBondContact O-CB 3.46Å; D338-A342 PolarHBondContact O-N 3.04Å; D338-P375 HydrophobicContact CB-CB 4.17Å; D338-F377 HydrophobicContact CB-CD2 4.02Å; D338-F377 WeakPolarHBondContact OD2-CA 3.14Å; D338-F377 WeakPolarHBondContact OD2-CB 3.39Å; D338-F377 PolarHBondContact OD2-N 3.35Å; D338-N378 PolarHBondContact OD1-ND2 3.09Å; D338-N378 PolarHBondContact OD2-N 3.49Å
339T90.4Very high92.7Very high4 Ų430.1 Ų30.13%0.02515%0.152CC..Hα-helixtrans-76.4-72.7176.8-58.90000111.3M295 T297 T299 G337 T341 A342 I343 I413 V441M295-T339 HydrophobicContact CB-CG2 4.19Å; M295-T339 HydrophobicContact CG-CG2 4.47Å; T297-T339 PolarHBondContact O-N 3.18Å; T299-T339 PolarHBondContact N-OG1 3.25Å; T299-T339 WeakPolarHBondContact OG1-CB 3.3Å; T299-T339 WeakPolarHBondContact OG1-CG2 3.23Å; T299-T339 PolarHBondContact OG1-OG1 2.91Å; G337-T339 VanDerWaalsContact C-N 3.31Å; G337-T339 PolarHBondContact O-N 3.01Å; G337-T339 VanDerWaalsContact O-N 3.1Å; T339-T341 PolarHBondContact O-N 2.85Å; T339-A342 PolarHBondContact O-N 3.26Å; T339-I343 PolarHBondContact O-N 3.45Å; T339-I413 HydrophobicContact CG2-CD1 4.12Å; T339-I413 HydrophobicContact CG2-CG1 4.2Å; T339-I413 HydrophobicContact CG2-CG2 3.77Å; T339-V441 HydrophobicContact CG2-CB 4.38Å; T339-V441 HydrophobicContact CG2-CG1 4.21Å; T339-V441 HydrophobicContact CG2-CG2 4.19Å
340G90.3Very high92.6Very high9 Ų936.4 Ų36.49%0.09319%0.185CC..Hα-helixtrans-67.9-26.2173.600000112.6G296 T297 A342 I343 K344G296-G340 WeakPolarHBondContact O-CA 3.49Å; G296-G340 PolarHBondContact O-N 3.47Å; T297-G340 PolarHBondContact O-N 2.97Å; G340-A342 VanDerWaalsContact C-N 3.34Å; G340-I343 PolarHBondContact O-N 2.91Å; G340-K344 WeakPolarHBondContact O-CG 3.49Å; G340-K344 PolarHBondContact O-N 2.84Å
341T89Confident92.6Very high40 Ų4037.2 Ų37.225%0.24519%0.189CC..Hα-helixtrans-59.5-44.6171.7-50.60000111.1T297 T339 I343 K344 W345 F377T297-T341 WeakPolarHBondContact CG2-OG1 2.98Å; T297-T341 PolarHBondContact O-N 3.27Å; T297-T341 PolarHBondContact O-OG1 3.1Å; T339-T341 PolarHBondContact O-N 2.85Å; T341-I343 VanDerWaalsContact C-N 3.34Å; T341-I343 PolarHBondContact O-N 3.37Å; T341-K344 PolarHBondContact O-N 2.91Å; T341-W345 VanDerWaalsContact O-CB 3.28Å; T341-W345 WeakPolarHBondContact O-CB 3.05Å; T341-W345 PolarHBondContact O-N 3.4Å; T341-F377 HydrophobicContact CG2-CD2 4.33Å
342A94.3Very high92.6Very high0 Ų037.4 Ų37.40%019%0.19CC..Hα-helixtrans-63.1-39.3178.700000112.6D338 T339 G340 A346 F373 P375 F377 I409D338-A342 WeakPolarHBondContact O-CB 3.46Å; D338-A342 PolarHBondContact O-N 3.04Å; T339-A342 PolarHBondContact O-N 3.26Å; G340-A342 VanDerWaalsContact C-N 3.34Å; A342-A346 VanDerWaalsContact O-CB 3.24Å; A342-A346 WeakPolarHBondContact O-CB 3.38Å; A342-A346 PolarHBondContact O-N 3.06Å; A342-F373 HydrophobicContact CB-CE1 3.78Å; A342-F373 HydrophobicContact CB-CZ 4.34Å; A342-P375 HydrophobicContact CB-CB 4.39Å; A342-F377 HydrophobicContact CB-CE2 4.29Å; A342-I409 HydrophobicContact CB-CG2 4.11Å
343I95.4Very high92.5Very high19 Ų1943.1 Ų43.110%0.09723%0.225CC..Hα-helixtrans-64-49.2175.4-57.1-58000110.5T339 G340 T341 W345 A346 Q347 F352 A355 I409 L410 I413 V441T339-I343 PolarHBondContact O-N 3.45Å; G340-I343 PolarHBondContact O-N 2.91Å; T341-I343 VanDerWaalsContact C-N 3.34Å; T341-I343 PolarHBondContact O-N 3.37Å; I343-W345 VanDerWaalsContact C-N 3.35Å; I343-W345 PolarHBondContact O-N 2.66Å; I343-A346 PolarHBondContact O-N 3.38Å; I343-Q347 PolarHBondContact O-N 3.4Å; I343-F352 HydrophobicContact CG2-CE2 4.27Å; I343-F352 HydrophobicContact CG2-CZ 3.71Å; I343-F352 WeakPolarHBondContact O-CZ 3.14Å; I343-A355 HydrophobicContact CG2-CB 4.13Å; I343-I409 HydrophobicContact CD1-CG2 3.88Å; I343-L410 HydrophobicContact CD1-CD2 3.65Å; I343-I413 HydrophobicContact CD1-CD1 3.91Å; I343-I413 HydrophobicContact CG1-CD1 4.17Å; I343-V441 HydrophobicContact CG1-CG2 4.34Å
344K92.3Very high92.6Very high99 Ų9947 Ų4743%0.4325%0.247SC..Hα-helixtrans-61.5-42.4178-72.8177.3179.2176.80112.3G340 T341 Q347 Q348G340-K344 WeakPolarHBondContact O-CG 3.49Å; G340-K344 PolarHBondContact O-N 2.84Å; T341-K344 PolarHBondContact O-N 2.91Å; K344-Q347 WeakPolarHBondContact O-CB 3.31Å; K344-Q347 PolarHBondContact O-N 2.98Å; K344-Q348 WeakPolarHBondContact O-CG 3.28Å; K344-Q348 PolarHBondContact O-N 3.47Å
345W94.3Very high92.6Very high69 Ų6948.9 Ų48.926%0.26126%0.262SS..Hα-helixtrans-61.8-44.7176168.877.7000111.7T341 I343 Q347 Q348 L349 F373 F377 F393 I409T341-W345 VanDerWaalsContact O-CB 3.28Å; T341-W345 WeakPolarHBondContact O-CB 3.05Å; T341-W345 PolarHBondContact O-N 3.4Å; I343-W345 VanDerWaalsContact C-N 3.35Å; I343-W345 PolarHBondContact O-N 2.66Å; W345-Q347 VanDerWaalsContact C-N 3.29Å; W345-Q347 PolarHBondContact O-N 3.47Å; W345-Q348 WeakPolarHBondContact O-CB 3.4Å; W345-Q348 PolarHBondContact O-N 3.22Å; W345-Q348 VanDerWaalsContact O-N 3.12Å; W345-L349 HydrophobicContact CD2-CD1 4.01Å; W345-L349 VanDerWaalsContact CE2-CD1 3.45Å; W345-L349 HydrophobicContact CE3-CD1 4.31Å; W345-L349 HydrophobicContact CH2-CD1 3.73Å; W345-L349 HydrophobicContact CZ2-CD1 3.33Å; W345-L349 HydrophobicContact CZ2-CG 4.45Å; W345-L349 HydrophobicContact CZ3-CD1 4.19Å; W345-L349 PolarHBondContact O-N 3.03Å; W345-F373 HydrophobicContact CE3-CZ 4.25Å; W345-F373 AromaticContact CH2-CE2 3.97Å; W345-F373 HydrophobicContact CH2-CE2 3.97Å; W345-F373 HydrophobicContact CH2-CZ 4.44Å; W345-F373 AromaticContact CZ3-CE2 3.65Å; W345-F373 HydrophobicContact CZ3-CE2 3.65Å; W345-F373 AromaticContact CZ3-CZ 3.77Å; W345-F373 HydrophobicContact CZ3-CZ 3.77Å; W345-F377 HydrophobicContact CB-CE2 4.46Å; W345-F377 HydrophobicContact CB-CZ 4.25Å; W345-F377 AromaticContact CD2-CE1 3.99Å; W345-F377 HydrophobicContact CD2-CE1 3.99Å; W345-F377 HydrophobicContact CD2-CE2 4.31Å; W345-F377 AromaticContact CD2-CZ 3.4Å; W345-F377 HydrophobicContact CD2-CZ 3.4Å; W345-F377 AromaticContact CE2-CE1 3.84Å; W345-F377 AromaticContact CE2-CZ 3.71Å; W345-F377 HydrophobicContact CE3-CE2 4.36Å; W345-F377 AromaticContact CE3-CZ 3.61Å; W345-F377 HydrophobicContact CE3-CZ 3.61Å; W345-F377 HydrophobicContact CG-CE1 4.17Å; W345-F377 HydrophobicContact CG-CE2 4.38Å; W345-F377 AromaticContact CG-CZ 3.7Å; W345-F377 HydrophobicContact CG-CZ 3.7Å; W345-F377 HydrophobicContact CH2-CZ 4.28Å; W345-F377 HydrophobicContact CZ2-CE1 4.21Å; W345-F377 HydrophobicContact CZ2-CZ 4.13Å; W345-F377 HydrophobicContact CZ3-CZ 4.05Å; W345-F393 HydrophobicContact CH2-CD2 4.28Å; W345-F393 AromaticContact CH2-CE2 3.65Å; W345-F393 HydrophobicContact CH2-CE2 3.65Å; W345-F393 AromaticContact CZ3-CE2 3.84Å; W345-F393 HydrophobicContact CZ3-CE2 3.84Å; W345-F393 HydrophobicContact CZ3-CZ 4.38Å; W345-I409 HydrophobicContact CZ3-CD1 4.44Å
346A96.4Very high92.9Very high0 Ų051.5 Ų51.50%029%0.287CS..Hα-helixtrans-62.4-36.5176.500000112.6A342 I343 L349 L351 F352 I409A342-A346 VanDerWaalsContact O-CB 3.24Å; A342-A346 WeakPolarHBondContact O-CB 3.38Å; A342-A346 PolarHBondContact O-N 3.06Å; I343-A346 PolarHBondContact O-N 3.38Å; A346-L349 PolarHBondContact O-N 2.97Å; A346-L351 HydrophobicContact CB-CD1 3.98Å; A346-L351 WeakPolarHBondContact O-CB 3.29Å; A346-L351 WeakPolarHBondContact O-CG 3.24Å; A346-L351 PolarHBondContact O-N 3.35Å; A346-F352 HydrophobicContact CB-CD1 4.45Å; A346-F352 HydrophobicContact CB-CE1 3.57Å; A346-F352 HydrophobicContact CB-CZ 4.18Å; A346-I409 HydrophobicContact CB-CD1 3.63Å
347Q96.3Very high93.4Very high76 Ų7654.9 Ų54.936%0.35530%0.302SS..Hα-helixtrans-63.8-42.7172.3-166.8-17921.400111.5I343 K344 W345 L349 D350 F352 T353I343-Q347 PolarHBondContact O-N 3.4Å; K344-Q347 WeakPolarHBondContact O-CB 3.31Å; K344-Q347 PolarHBondContact O-N 2.98Å; W345-Q347 VanDerWaalsContact C-N 3.29Å; W345-Q347 PolarHBondContact O-N 3.47Å; Q347-L349 PolarHBondContact O-N 2.64Å; Q347-D350 PolarHBondContact O-N 2.94Å; Q347-F352 HydrophobicContact CB-CD2 4.21Å; Q347-F352 HydrophobicContact CB-CE2 3.61Å; Q347-F352 HydrophobicContact CB-CZ 3.88Å; Q347-F352 HydrophobicContact CG-CD2 4.15Å; Q347-F352 HydrophobicContact CG-CE2 3.87Å; Q347-T353 PolarHBondContact NE2-O 3.5Å
348Q94.2Very high94.1Very high152 Ų15254.2 Ų54.271%0.7129%0.294SS*.Hα-helixtrans-67.1-20.7176.9-71.5172.8-18.600113.7K344 W345K344-Q348 WeakPolarHBondContact O-CG 3.28Å; K344-Q348 PolarHBondContact O-N 3.47Å; W345-Q348 WeakPolarHBondContact O-CB 3.4Å; W345-Q348 PolarHBondContact O-N 3.22Å; W345-Q348 VanDerWaalsContact O-N 3.12Å
349L95.9Very high94.7Very high90 Ų9056.4 Ų56.447%0.47130%0.304SS..THydrogen-bonded Turntrans-85.79.9170.9-69.1-175.7000113.2W345 A346 Q347 L351W345-L349 HydrophobicContact CD2-CD1 4.01Å; W345-L349 VanDerWaalsContact CE2-CD1 3.45Å; W345-L349 HydrophobicContact CE3-CD1 4.31Å; W345-L349 HydrophobicContact CH2-CD1 3.73Å; W345-L349 HydrophobicContact CZ2-CD1 3.33Å; W345-L349 HydrophobicContact CZ2-CG 4.45Å; W345-L349 HydrophobicContact CZ3-CD1 4.19Å; W345-L349 PolarHBondContact O-N 3.03Å; A346-L349 PolarHBondContact O-N 2.97Å; Q347-L349 PolarHBondContact O-N 2.64Å; L349-L351 HydrophobicContact CB-CG 4.14Å; L349-L351 PolarHBondContact O-N 2.83Å; L349-L351 VanDerWaalsContact O-N 3.13Å
350D96.9Very high95.1Very high140 Ų14064.3 Ų64.375%0.74934%0.338SS*.THydrogen-bonded Turntrans55.828-177.8-60.5-46.1000113.5Q347 F352Q347-D350 PolarHBondContact O-N 2.94Å; D350-F352 PolarHBondContact O-N 2.91Å
351L97.4Very high95.4Very high20 Ų2064.3 Ų64.311%0.10534%0.336CS..SBendtrans-66.9-33173.6-62.1-173.3000111A346 L349 K402 L405 V406 I409A346-L351 HydrophobicContact CB-CD1 3.98Å; A346-L351 WeakPolarHBondContact O-CB 3.29Å; A346-L351 WeakPolarHBondContact O-CG 3.24Å; A346-L351 PolarHBondContact O-N 3.35Å; L349-L351 HydrophobicContact CB-CG 4.14Å; L349-L351 PolarHBondContact O-N 2.83Å; L349-L351 VanDerWaalsContact O-N 3.13Å; L351-K402 HydrophobicContact CD2-CB 4.18Å; L351-K402 WeakPolarHBondContact O-CD 3.27Å; L351-K402 PolarHBondContact O-NZ 3.23Å; L351-L405 HydrophobicContact CD1-CB 4.22Å; L351-L405 HydrophobicContact CD2-CD1 4.13Å; L351-V406 HydrophobicContact CB-CG2 3.95Å; L351-V406 HydrophobicContact CD1-CG2 4.49Å; L351-I409 HydrophobicContact CD1-CD1 4.23Å
352F97.1Very high95.8Very high4 Ų462.4 Ų62.42%0.01832%0.324CS..  trans-153.5156.9177.159.6-96.5000110I343 A346 Q347 D350 A355 E357 T358 M361 V406I343-F352 HydrophobicContact CG2-CE2 4.27Å; I343-F352 HydrophobicContact CG2-CZ 3.71Å; I343-F352 WeakPolarHBondContact O-CZ 3.14Å; A346-F352 HydrophobicContact CB-CD1 4.45Å; A346-F352 HydrophobicContact CB-CE1 3.57Å; A346-F352 HydrophobicContact CB-CZ 4.18Å; Q347-F352 HydrophobicContact CB-CD2 4.21Å; Q347-F352 HydrophobicContact CB-CE2 3.61Å; Q347-F352 HydrophobicContact CB-CZ 3.88Å; Q347-F352 HydrophobicContact CG-CD2 4.15Å; Q347-F352 HydrophobicContact CG-CE2 3.87Å; D350-F352 PolarHBondContact O-N 2.91Å; F352-A355 HydrophobicContact CE2-CB 4.17Å; F352-E357 WeakPolarHBondContact CA-OE1 3.34Å; F352-E357 HydrophobicContact CB-CG 3.9Å; F352-E357 WeakPolarHBondContact CB-OE1 3.47Å; F352-T358 HydrophobicContact CB-CG2 4.31Å; F352-T358 HydrophobicContact CD1-CG2 3.55Å; F352-T358 HydrophobicContact CD2-CG2 3.71Å; F352-T358 HydrophobicContact CE1-CG2 3.57Å; F352-T358 HydrophobicContact CE2-CG2 3.75Å; F352-T358 HydrophobicContact CG-CG2 3.6Å; F352-T358 HydrophobicContact CZ-CG2 3.67Å; F352-M361 HydrophobicContact CB-SD 3.95Å; F352-V406 HydrophobicContact CD1-CG2 3.82Å; F352-V406 HydrophobicContact CE1-CG2 4.42Å
353T94.8Very high95.9Very high120 Ų12068.2 Ų68.274%0.73635%0.349SS*.SBendtrans-93.5-43.2179.2-560000111.7Q347 E357Q347-T353 PolarHBondContact NE2-O 3.5Å; T353-E357 PolarHBondContact N-OE1 3.28Å
354D94.8Very high96Very high97 Ų9770.9 Ų70.952%0.51937%0.37SS..  trans-119130.4178.5-171.7-19.4000109.9A356 E357D354-A356 PolarHBondContact O-N 2.99Å; D354-A356 VanDerWaalsContact O-N 3.1Å; D354-A356 WeakPolarHBondContact OD1-CB 3.48Å; D354-A356 PolarHBondContact OD1-N 3.35Å; D354-E357 VanDerWaalsContact O-CG 3.22Å; D354-E357 WeakPolarHBondContact O-CG 3.23Å; D354-E357 PolarHBondContact O-N 3.5Å
355A93.8Very high96.1Very high39 Ų3968 Ų6832%0.32236%0.359SS..THydrogen-bonded Turntrans-56-27.8176.100000112.8I343 F352 E357 T358I343-A355 HydrophobicContact CG2-CB 4.13Å; F352-A355 HydrophobicContact CE2-CB 4.17Å; A355-E357 PolarHBondContact O-N 3.18Å; A355-T358 WeakPolarHBondContact O-CB 3.47Å; A355-T358 WeakPolarHBondContact O-CG2 3.42Å; A355-T358 PolarHBondContact O-N 2.83Å; A355-T358 PolarHBondContact O-OG1 3.38Å
356A94.2Very high95.9Very high77 Ų7773.6 Ų73.664%0.63639%0.388SS*.THydrogen-bonded Turntrans-62.1-25.7175.900000113.3D354 T358D354-A356 PolarHBondContact O-N 2.99Å; D354-A356 VanDerWaalsContact O-N 3.1Å; D354-A356 WeakPolarHBondContact OD1-CB 3.48Å; D354-A356 PolarHBondContact OD1-N 3.35Å; A356-T358 VanDerWaalsContact C-N 3.33Å
357E96.3Very high95.6Very high73 Ų7377 Ų7734%0.34141%0.406SS..Hα-helixtrans-78.7-19.9-179.189.7-169.4164.800113.1F352 T353 D354 A355 E359 K360 M361F352-E357 WeakPolarHBondContact CA-OE1 3.34Å; F352-E357 HydrophobicContact CB-CG 3.9Å; F352-E357 WeakPolarHBondContact CB-OE1 3.47Å; T353-E357 PolarHBondContact N-OE1 3.28Å; D354-E357 VanDerWaalsContact O-CG 3.22Å; D354-E357 WeakPolarHBondContact O-CG 3.23Å; D354-E357 PolarHBondContact O-N 3.5Å; A355-E357 PolarHBondContact O-N 3.18Å; E357-E359 VanDerWaalsContact C-N 3.26Å; E357-E359 PolarHBondContact O-N 3.29Å; E357-K360 WeakPolarHBondContact O-CB 3.23Å; E357-K360 PolarHBondContact O-N 2.76Å; E357-M361 HydrophobicContact CG-CG 4.39Å; E357-M361 HydrophobicContact CG-SD 3.87Å; E357-M361 WeakPolarHBondContact O-CG 3.45Å; E357-M361 PolarHBondContact O-N 2.99Å
358T97.7Very high95.4Very high4 Ų473.5 Ų73.53%0.02539%0.39CS..Hα-helixtrans-61.4-33.2-175.263.40000113F352 A355 A356 M361 A362 V406 N444F352-T358 HydrophobicContact CB-CG2 4.31Å; F352-T358 HydrophobicContact CD1-CG2 3.55Å; F352-T358 HydrophobicContact CD2-CG2 3.71Å; F352-T358 HydrophobicContact CE1-CG2 3.57Å; F352-T358 HydrophobicContact CE2-CG2 3.75Å; F352-T358 HydrophobicContact CG-CG2 3.6Å; F352-T358 HydrophobicContact CZ-CG2 3.67Å; A355-T358 WeakPolarHBondContact O-CB 3.47Å; A355-T358 WeakPolarHBondContact O-CG2 3.42Å; A355-T358 PolarHBondContact O-N 2.83Å; A355-T358 PolarHBondContact O-OG1 3.38Å; A356-T358 VanDerWaalsContact C-N 3.33Å; T358-M361 PolarHBondContact O-N 3.42Å; T358-A362 PolarHBondContact O-N 3.04Å; T358-V406 HydrophobicContact CG2-CG1 4Å; T358-N444 PolarHBondContact OG1-ND2 2.79Å
359E97.4Very high95.4Very high52 Ų5269.7 Ų69.724%0.24337%0.372CS..Hα-helixtrans-63.1-46.3175-178.4176.4158.300111.3E357 M361 A362 K363 N444 G445 F446E357-E359 VanDerWaalsContact C-N 3.26Å; E357-E359 PolarHBondContact O-N 3.29Å; E359-M361 VanDerWaalsContact C-N 3.33Å; E359-M361 PolarHBondContact O-N 3.01Å; E359-A362 PolarHBondContact O-N 3.45Å; E359-K363 HydrophobicContact CG-CD 4.05Å; E359-K363 WeakPolarHBondContact O-CB 3.45Å; E359-K363 WeakPolarHBondContact O-CG 3.4Å; E359-K363 PolarHBondContact O-N 2.71Å; E359-K363 WeakPolarHBondContact OE1-CE 3.4Å; E359-K363 IonicContact OE1-NZ 2.72Å; E359-K363 PolarHBondContact OE1-NZ 3.41Å; E359-N444 PolarHBondContact N-ND2 3.15Å; E359-G445 PolarHBondContact OE2-N 3.19Å; E359-F446 HydrophobicContact CG-CB 4.12Å
360K97.5Very high95.3Very high170 Ų17066.9 Ų66.974%0.73937%0.365SS*.Hα-helixtrans-64.6-40.1177.7-174.3-177.7177.5-175.80110.9E357 K363 S364E357-K360 WeakPolarHBondContact O-CB 3.23Å; E357-K360 PolarHBondContact O-N 2.76Å; K360-K363 PolarHBondContact O-N 2.85Å; K360-S364 PolarHBondContact O-N 3.36Å
361M97.9Very high95.3Very high9 Ų960.2 Ų60.24%0.04433%0.33CS..Hα-helixtrans-61.8-42.6175.9-66.8178.469.700112.3F352 E357 T358 E359 S364 K402 Y403 V406F352-M361 HydrophobicContact CB-SD 3.95Å; E357-M361 HydrophobicContact CG-CG 4.39Å; E357-M361 HydrophobicContact CG-SD 3.87Å; E357-M361 WeakPolarHBondContact O-CG 3.45Å; E357-M361 PolarHBondContact O-N 2.99Å; T358-M361 PolarHBondContact O-N 3.42Å; E359-M361 VanDerWaalsContact C-N 3.33Å; E359-M361 PolarHBondContact O-N 3.01Å; M361-S364 PolarHBondContact O-OG 2.99Å; M361-K402 HydrophobicContact CE-CG 4.22Å; M361-Y403 HydrophobicContact CB-CD1 3.72Å; M361-Y403 HydrophobicContact CB-CE1 4Å; M361-Y403 HydrophobicContact CE-CD1 4.13Å; M361-Y403 HydrophobicContact CE-CD2 4.2Å; M361-Y403 HydrophobicContact CE-CE1 4.31Å; M361-Y403 HydrophobicContact CE-CE2 4.38Å; M361-Y403 HydrophobicContact CE-CG 4.07Å; M361-Y403 HydrophobicContact CG-CD1 3.94Å; M361-Y403 HydrophobicContact CG-CE1 3.74Å; M361-V406 HydrophobicContact CB-CG1 4.2Å; M361-V406 HydrophobicContact CE-CB 4.08Å; M361-V406 HydrophobicContact CE-CG1 4.43Å; M361-V406 HydrophobicContact CE-CG2 3.68Å; M361-V406 HydrophobicContact SD-CG1 4.3Å; M361-V406 HydrophobicContact SD-CG2 4.27Å
362A97.2Very high95.3Very high0 Ų059.8 Ų59.80%033%0.328CS..Hα-helixtrans-68.6-41177.800000112.1T358 E359 S364 L365 R407 L410 F446T358-A362 PolarHBondContact O-N 3.04Å; E359-A362 PolarHBondContact O-N 3.45Å; A362-S364 VanDerWaalsContact C-N 3.3Å; A362-S364 PolarHBondContact O-N 3.38Å; A362-L365 PolarHBondContact O-N 3.06Å; A362-R407 HydrophobicContact CB-CB 4.16Å; A362-R407 HydrophobicContact CB-CG 4.13Å; A362-R407 PolarHBondContact O-NH1 3.34Å; A362-L410 HydrophobicContact CB-CD1 3.83Å; A362-F446 HydrophobicContact CB-CD1 4.05Å; A362-F446 HydrophobicContact CB-CD2 4.07Å; A362-F446 HydrophobicContact CB-CE1 4.19Å; A362-F446 HydrophobicContact CB-CE2 4.2Å; A362-F446 HydrophobicContact CB-CG 4Å; A362-F446 HydrophobicContact CB-CZ 4.26Å
363K96.6Very high95.4Very high122 Ų12259.7 Ų59.753%0.5333%0.327SS..Hα-helixtrans-72.2-17.7179.3-72.6179.7174.1177.30114.2E359 K360 L365 F446E359-K363 HydrophobicContact CG-CD 4.05Å; E359-K363 WeakPolarHBondContact O-CB 3.45Å; E359-K363 WeakPolarHBondContact O-CG 3.4Å; E359-K363 PolarHBondContact O-N 2.71Å; E359-K363 WeakPolarHBondContact OE1-CE 3.4Å; E359-K363 IonicContact OE1-NZ 2.72Å; E359-K363 PolarHBondContact OE1-NZ 3.41Å; K360-K363 PolarHBondContact O-N 2.85Å; K363-L365 PolarHBondContact O-N 3Å; K363-F446 HydrophobicContact CG-CD2 4.26Å
364S96.7Very high95.5Very high75 Ų7554 Ų5452%0.52429%0.292SS..THydrogen-bonded Turntrans-77.3-9.5175.866.40000113.8K360 M361 A362 Y403K360-S364 PolarHBondContact O-N 3.36Å; M361-S364 PolarHBondContact O-OG 2.99Å; A362-S364 VanDerWaalsContact C-N 3.3Å; A362-S364 PolarHBondContact O-N 3.38Å; S364-Y403 WeakPolarHBondContact OG-CD1 3.37Å
365L94.8Very high95.4Very high40 Ų4049.6 Ų49.621%0.20927%0.27CS..SBendtrans-105.5157.2174.4-60.5177.4000110.2A362 K363 D367 Y403 H404 R407A362-L365 PolarHBondContact O-N 3.06Å; K363-L365 PolarHBondContact O-N 3Å; L365-D367 WeakPolarHBondContact CB-O 3.42Å; L365-Y403 VanDerWaalsContact CD1-C 3.47Å; L365-H404 HydrophobicContact CD1-CB 4.34Å; L365-R407 HydrophobicContact CD1-CB 4.41Å; L365-R407 PolarHBondContact O-NH1 3.24Å
366E89.5Confident95.2Very high186 Ų18647.8 Ų47.887%0.86925%0.254SS*.SBendtrans-76.9-46.1170.3-174.2172.1-178.900110.8R407E366-R407 PolarHBondContact O-NH1 2.67Å; E366-R407 VanDerWaalsContact O-NH1 3.12Å; E366-R407 PolarHBondContact O-NH2 3.01Å
367D90.1Very high94.7Very high71 Ų7147.4 Ų47.438%0.3824%0.238SC..  trans-146.5-175.5175.867.319.6000112L365 E369 R407L365-D367 WeakPolarHBondContact CB-O 3.42Å; D367-E369 VanDerWaalsContact OD1-CA 3.25Å; D367-E369 WeakPolarHBondContact OD1-CA 3.46Å; D367-E369 PolarHBondContact OD1-N 3.27Å; D367-R407 VanDerWaalsContact CA-CZ 3.48Å
368S92.7Very high93.8Very high3 Ų348.6 Ų48.62%0.02125%0.247CC..  trans-84.48.1173.949.60000113.3G370 V371 E411S368-G370 PolarHBondContact O-N 3.1Å; S368-G370 VanDerWaalsContact O-N 3.14Å; S368-V371 WeakPolarHBondContact CB-O 3.3Å; S368-V371 VanDerWaalsContact O-CB 3.27Å; S368-V371 WeakPolarHBondContact O-CB 3.44Å; S368-V371 VanDerWaalsContact O-CG2 3.27Å; S368-V371 WeakPolarHBondContact O-CG2 3.36Å; S368-V371 PolarHBondContact O-N 3.4Å; S368-V371 PolarHBondContact OG-O 2.95Å; S368-E411 VanDerWaalsContact CB-OE2 3.31Å; S368-E411 WeakPolarHBondContact CB-OE2 3.48Å; S368-E411 PolarHBondContact OG-OE2 3.45Å
369E93.9Very high93.2Very high71 Ų7148.5 Ų48.533%0.33225%0.247SC..THydrogen-bonded Turntrans51.428.3-172.8-64.9-167.4163.900114.2D367 K397 S399 H404D367-E369 VanDerWaalsContact OD1-CA 3.25Å; D367-E369 WeakPolarHBondContact OD1-CA 3.46Å; D367-E369 PolarHBondContact OD1-N 3.27Å; E369-K397 WeakPolarHBondContact O-CE 3.39Å; E369-K397 PolarHBondContact O-NZ 3.4Å; E369-S399 PolarHBondContact OE2-OG 3.49Å; E369-H404 IonicContact OE1-NE2 2.74Å; E369-H404 IonicContact OE2-NE2 3.03Å
370G93.6Very high92.8Very high31 Ų3146.1 Ų46.132%0.3224%0.236SC..THydrogen-bonded Turntrans86.33.6-177.600000114.8S368 C372S368-G370 PolarHBondContact O-N 3.1Å; S368-G370 VanDerWaalsContact O-N 3.14Å; G370-C372 PolarHBondContact O-N 3.24Å
371V97.7Very high92.3Very high1 Ų139.4 Ų39.41%0.00621%0.207CC..  trans-68.7124171.3-179.40000109.3S368 F393 M394 L396 T400 H404 L405 A408S368-V371 WeakPolarHBondContact CB-O 3.3Å; S368-V371 VanDerWaalsContact O-CB 3.27Å; S368-V371 WeakPolarHBondContact O-CB 3.44Å; S368-V371 VanDerWaalsContact O-CG2 3.27Å; S368-V371 WeakPolarHBondContact O-CG2 3.36Å; S368-V371 PolarHBondContact O-N 3.4Å; S368-V371 PolarHBondContact OG-O 2.95Å; V371-F393 HydrophobicContact CG1-CD1 3.97Å; V371-F393 HydrophobicContact CG1-CE1 4.47Å; V371-M394 WeakPolarHBondContact CA-O 3.47Å; V371-L396 HydrophobicContact CG1-CD2 3.89Å; V371-L396 HydrophobicContact CG2-CD2 4.31Å; V371-T400 HydrophobicContact CG2-CG2 3.84Å; V371-H404 HydrophobicContact CG2-CB 4.44Å; V371-L405 HydrophobicContact CG1-CD2 4.14Å; V371-A408 HydrophobicContact CB-CB 4.28Å; V371-A408 HydrophobicContact CG1-CB 3.89Å; V371-A408 VanDerWaalsContact O-CB 3.29Å; V371-A408 WeakPolarHBondContact O-CB 3.43Å
372C98Very high91.4Very high11 Ų1139 Ų397%0.07421%0.205CC..EExtended strand (participates in β ladder)trans-114.5134.8178.6-620000109.7G370 F393 M394 A518G370-C372 PolarHBondContact O-N 3.24Å; C372-F393 CarbonylContact O-C 3.54Å; C372-F393 WeakPolarHBondContact O-CA 3.44Å; C372-M394 PolarHBondContact N-O 2.67Å; C372-M394 PolarHBondContact O-N 3.44Å; C372-A518 HydrophobicContact CB-CB 3.71Å
373F98.1Very high90.6Very high1 Ų141.6 Ų41.60%0.00422%0.222CC..EExtended strand (participates in β ladder)trans-107.7139.3168.3-178.1-116.7000110.2A342 W345 P375 F377 S392 F393 A408 I409 S412 W515A342-F373 HydrophobicContact CB-CE1 3.78Å; A342-F373 HydrophobicContact CB-CZ 4.34Å; W345-F373 HydrophobicContact CE3-CZ 4.25Å; W345-F373 AromaticContact CH2-CE2 3.97Å; W345-F373 HydrophobicContact CH2-CE2 3.97Å; W345-F373 HydrophobicContact CH2-CZ 4.44Å; W345-F373 AromaticContact CZ3-CE2 3.65Å; W345-F373 HydrophobicContact CZ3-CE2 3.65Å; W345-F373 AromaticContact CZ3-CZ 3.77Å; W345-F373 HydrophobicContact CZ3-CZ 3.77Å; F373-P375 HydrophobicContact CD1-CB 4.25Å; F373-P375 HydrophobicContact CE1-CB 3.67Å; F373-P375 HydrophobicContact CE1-CG 4.48Å; F373-P375 HydrophobicContact CZ-CB 4.41Å; F373-F377 HydrophobicContact CZ-CE2 4.02Å; F373-F377 AromaticContact CZ-CZ 3.93Å; F373-F377 HydrophobicContact CZ-CZ 3.93Å; F373-S392 CarbonylContact C-O 3.59Å; F373-S392 WeakPolarHBondContact CA-O 3.48Å; F373-S392 WeakPolarHBondContact CD2-O 3.35Å; F373-F393 HydrophobicContact CB-CD1 3.98Å; F373-F393 HydrophobicContact CB-CE1 3.68Å; F373-F393 HydrophobicContact CB-CZ 4.34Å; F373-F393 AromaticContact CD2-CD1 3.89Å; F373-F393 HydrophobicContact CD2-CD1 3.89Å; F373-F393 AromaticContact CD2-CD2 3.95Å; F373-F393 HydrophobicContact CD2-CD2 3.95Å; F373-F393 AromaticContact CD2-CE1 3.66Å; F373-F393 HydrophobicContact CD2-CE1 3.66Å; F373-F393 AromaticContact CD2-CE2 3.73Å; F373-F393 HydrophobicContact CD2-CE2 3.73Å; F373-F393 HydrophobicContact CD2-CG 4.03Å; F373-F393 AromaticContact CD2-CZ 3.58Å; F373-F393 HydrophobicContact CD2-CZ 3.58Å; F373-F393 HydrophobicContact CE2-CD2 4.33Å; F373-F393 AromaticContact CE2-CE2 4Å; F373-F393 HydrophobicContact CE2-CE2 4Å; F373-F393 HydrophobicContact CE2-CZ 4.16Å; F373-F393 HydrophobicContact CG-CD1 4.38Å; F373-F393 AromaticContact CG-CE1 3.95Å; F373-F393 HydrophobicContact CG-CE1 3.95Å; F373-F393 HydrophobicContact CG-CZ 4.12Å; F373-A408 HydrophobicContact CB-CB 4.28Å; F373-I409 HydrophobicContact CB-CG1 4.21Å; F373-I409 HydrophobicContact CD1-CB 4.1Å; F373-I409 HydrophobicContact CD1-CG1 3.63Å; F373-I409 HydrophobicContact CD1-CG2 4.26Å; F373-I409 HydrophobicContact CD2-CG1 4.3Å; F373-I409 HydrophobicContact CE1-CG1 3.97Å; F373-I409 HydrophobicContact CE1-CG2 4.34Å; F373-I409 HydrophobicContact CG-CG1 3.78Å; F373-I409 HydrophobicContact CZ-CG1 4.48Å; F373-S412 VanDerWaalsContact O-CB 3.26Å; F373-S412 WeakPolarHBondContact O-CB 3.3Å; F373-S412 PolarHBondContact O-OG 2.89Å; F373-W515 VanDerWaalsContact O-CD1 3.29Å; F373-W515 PolarHBondContact O-NE1 2.73Å
374V97.1Very high90Very high0 Ų038.6 Ų38.60%021%0.212CC..EExtended strand (participates in β ladder)trans-117110.4171.3-174.90000109.2S376 L380 A391 S392 A518 V519 S522V374-S376 PolarHBondContact O-N 2.84Å; V374-S376 VanDerWaalsContact O-N 3.11Å; V374-L380 HydrophobicContact CG1-CD2 4.11Å; V374-A391 VanDerWaalsContact O-CA 3.26Å; V374-A391 WeakPolarHBondContact O-CA 3.43Å; V374-S392 PolarHBondContact N-O 3.19Å; V374-S392 PolarHBondContact O-N 2.92Å; V374-A518 HydrophobicContact CG2-CB 3.92Å; V374-V519 HydrophobicContact CG1-CG2 4.09Å; V374-V519 HydrophobicContact CG2-CG2 3.96Å; V374-S522 WeakPolarHBondContact CG1-OG 3.45Å
375P92Very high89.3Confident6 Ų639.5 Ų39.54%0.03921%0.21CC..  trans-83.779.9-177.731.5-34.8000110.7D338 A342 F373 S412 R416D338-P375 HydrophobicContact CB-CB 4.17Å; A342-P375 HydrophobicContact CB-CB 4.39Å; F373-P375 HydrophobicContact CD1-CB 4.25Å; F373-P375 HydrophobicContact CE1-CB 3.67Å; F373-P375 HydrophobicContact CE1-CG 4.48Å; F373-P375 HydrophobicContact CZ-CB 4.41Å; P375-S412 WeakPolarHBondContact CD-OG 3.16Å; P375-R416 HydrophobicContact CG-CG 4.21Å
376S90.4Very high88.8Confident0 Ų038 Ų380%020%0.203CC..  trans-131.557.8177.963.40000111.6V374 G379 C390 A391V374-S376 PolarHBondContact O-N 2.84Å; V374-S376 VanDerWaalsContact O-N 3.11Å; S376-G379 PolarHBondContact O-N 2.86Å; S376-C390 PolarHBondContact OG-O 3.1Å; S376-A391 PolarHBondContact O-N 2.88Å; S376-A391 VanDerWaalsContact O-N 3.15Å; S376-A391 PolarHBondContact OG-N 2.83Å
377F84.6Confident88.2Confident70 Ų7033.3 Ų33.331%0.30719%0.188SC..THydrogen-bonded Turntrans-65.7-32.9172.7-62.8-72000110.9D338 T341 A342 W345 F373 A391D338-F377 HydrophobicContact CB-CD2 4.02Å; D338-F377 WeakPolarHBondContact OD2-CA 3.14Å; D338-F377 WeakPolarHBondContact OD2-CB 3.39Å; D338-F377 PolarHBondContact OD2-N 3.35Å; T341-F377 HydrophobicContact CG2-CD2 4.33Å; A342-F377 HydrophobicContact CB-CE2 4.29Å; W345-F377 HydrophobicContact CB-CE2 4.46Å; W345-F377 HydrophobicContact CB-CZ 4.25Å; W345-F377 AromaticContact CD2-CE1 3.99Å; W345-F377 HydrophobicContact CD2-CE1 3.99Å; W345-F377 HydrophobicContact CD2-CE2 4.31Å; W345-F377 AromaticContact CD2-CZ 3.4Å; W345-F377 HydrophobicContact CD2-CZ 3.4Å; W345-F377 AromaticContact CE2-CE1 3.84Å; W345-F377 AromaticContact CE2-CZ 3.71Å; W345-F377 HydrophobicContact CE3-CE2 4.36Å; W345-F377 AromaticContact CE3-CZ 3.61Å; W345-F377 HydrophobicContact CE3-CZ 3.61Å; W345-F377 HydrophobicContact CG-CE1 4.17Å; W345-F377 HydrophobicContact CG-CE2 4.38Å; W345-F377 AromaticContact CG-CZ 3.7Å; W345-F377 HydrophobicContact CG-CZ 3.7Å; W345-F377 HydrophobicContact CH2-CZ 4.28Å; W345-F377 HydrophobicContact CZ2-CE1 4.21Å; W345-F377 HydrophobicContact CZ2-CZ 4.13Å; W345-F377 HydrophobicContact CZ3-CZ 4.05Å; F373-F377 HydrophobicContact CZ-CE2 4.02Å; F373-F377 AromaticContact CZ-CZ 3.93Å; F373-F377 HydrophobicContact CZ-CZ 3.93Å; F377-A391 HydrophobicContact CD1-CB 3.52Å; F377-A391 HydrophobicContact CD2-CB 4.45Å; F377-A391 HydrophobicContact CE1-CB 3.51Å; F377-A391 HydrophobicContact CE2-CB 4.43Å; F377-A391 HydrophobicContact CG-CB 4.01Å; F377-A391 HydrophobicContact CZ-CB 3.98Å
378N77.3Confident87.9Confident97 Ų9733.2 Ų33.252%0.51918%0.183SC..THydrogen-bonded Turntrans-112.832.3177-61-70000111.9D338 Q381D338-N378 PolarHBondContact OD1-ND2 3.09Å; D338-N378 PolarHBondContact OD2-N 3.49Å; N378-Q381 PolarHBondContact O-NE2 3.45Å
379G84.7Confident87.7Confident2 Ų233.2 Ų33.22%0.02118%0.183CC..  trans73.5-179.8-172.500000113.6S376 Q381 D386S376-G379 PolarHBondContact O-N 2.86Å; G379-Q381 PolarHBondContact O-NE2 3.13Å; G379-D386 CarbonylContact C-O 3.58Å; G379-D386 WeakPolarHBondContact CA-O 3.24Å
380L87.6Confident87.5Confident3 Ų330.2 Ų30.22%0.01617%0.17CC..BIsolated β-bridgetrans-100.5121.9179.3-71.5167.3000110.6V374 L384 N385 D386 A389 V519 M523V374-L380 HydrophobicContact CG1-CD2 4.11Å; L380-L384 HydrophobicContact CB-CB 4.28Å; L380-L384 HydrophobicContact CD1-CD1 3.88Å; L380-N385 CarbonylContact O-C 3.51Å; L380-N385 VanDerWaalsContact O-CA 3.26Å; L380-N385 WeakPolarHBondContact O-CA 3.28Å; L380-N385 PolarHBondContact O-N 3.47Å; L380-D386 PolarHBondContact N-O 3.13Å; L380-D386 PolarHBondContact O-N 3.43Å; L380-A389 HydrophobicContact CB-CB 4.16Å; L380-A389 HydrophobicContact CD1-CB 3.56Å; L380-A389 HydrophobicContact CG-CB 3.61Å; L380-V519 HydrophobicContact CD1-CG1 3.87Å; L380-M523 HydrophobicContact CD1-CG 3.9Å
381Q87.3Confident87.6Confident29 Ų2930.2 Ų30.214%0.13617%0.166CC..  trans-79.4-161.9173.9-64.468.540.700110.3N335 G337 N378 G379 L384 N385N335-Q381 WeakPolarHBondContact O-CB 3.3Å; G337-Q381 VanDerWaalsContact CA-OE1 3.3Å; N378-Q381 PolarHBondContact O-NE2 3.45Å; G379-Q381 PolarHBondContact O-NE2 3.13Å; Q381-L384 PolarHBondContact O-N 3.39Å; Q381-N385 PolarHBondContact O-N 3.45Å
382A79.1Confident87.5Confident1 Ų131 Ų311%0.00817%0.172CC..THydrogen-bonded Turntrans-50.9145.7179.900000111.9N385 R416 M423A382-N385 PolarHBondContact N-OD1 3.19Å; A382-R416 PolarHBondContact O-NH2 3.15Å; A382-M423 HydrophobicContact CB-CE 3.57Å; A382-M423 HydrophobicContact CB-SD 3.87Å
383P80.2Confident87.5Confident54 Ų5433 Ų3335%0.35118%0.179SC..THydrogen-bonded Turncis-81-4.2-2.231.9-35.3000114.9M423P383-M423 HydrophobicContact CB-SD 3.65Å
384L84.8Confident87.5Confident59 Ų5935.3 Ų35.331%0.30919%0.191SC..THydrogen-bonded Turntrans-85.2-33.8-168.2-63.7171.5000113L380 Q381 D386 V519 M523L380-L384 HydrophobicContact CB-CB 4.28Å; L380-L384 HydrophobicContact CD1-CD1 3.88Å; Q381-L384 PolarHBondContact O-N 3.39Å; L384-D386 VanDerWaalsContact C-N 3.3Å; L384-D386 PolarHBondContact O-N 3.32Å; L384-V519 HydrophobicContact CD1-CG1 3.23Å; L384-M523 HydrophobicContact CB-CE 4.34Å; L384-M523 HydrophobicContact CD1-SD 4.35Å; L384-M523 HydrophobicContact CD2-CE 4.43Å; L384-M523 HydrophobicContact CD2-SD 4.28Å
385N81.2Confident87.4Confident93 Ų9337.4 Ų37.450%0.49721%0.213SC..  trans50.946.5175-60.8-53.5000113.4L380 Q381 A382 P387L380-N385 CarbonylContact O-C 3.51Å; L380-N385 VanDerWaalsContact O-CA 3.26Å; L380-N385 WeakPolarHBondContact O-CA 3.28Å; L380-N385 PolarHBondContact O-N 3.47Å; Q381-N385 PolarHBondContact O-N 3.45Å; A382-N385 PolarHBondContact N-OD1 3.19Å; N385-P387 WeakPolarHBondContact O-CD 3.16Å
386D84.1Confident87.7Confident9 Ų942 Ų425%0.04824%0.236CC..BIsolated β-bridgetrans-109.796.2177.6-177.26.4000110.9G379 L380 L384 W388 A389 M523 N524G379-D386 CarbonylContact C-O 3.58Å; G379-D386 WeakPolarHBondContact CA-O 3.24Å; L380-D386 PolarHBondContact N-O 3.13Å; L380-D386 PolarHBondContact O-N 3.43Å; L384-D386 VanDerWaalsContact C-N 3.3Å; L384-D386 PolarHBondContact O-N 3.32Å; D386-W388 PolarHBondContact O-N 3.05Å; D386-W388 VanDerWaalsContact O-N 3.16Å; D386-W388 WeakPolarHBondContact OD1-CA 3.44Å; D386-W388 WeakPolarHBondContact OD1-CB 3.28Å; D386-W388 PolarHBondContact OD1-N 3.06Å; D386-A389 HydrophobicContact CB-CB 4.37Å; D386-A389 PolarHBondContact O-N 3.28Å; D386-M523 HydrophobicContact CB-CE 3.96Å; D386-M523 HydrophobicContact CB-CG 4.44Å; D386-M523 WeakPolarHBondContact OD2-CA 3.26Å; D386-M523 WeakPolarHBondContact OD2-CB 3.37Å; D386-M523 WeakPolarHBondContact OD2-CG 3.43Å; D386-N524 PolarHBondContact OD2-N 3.1Å
387P78.3Confident87.9Confident87 Ų8746.7 Ų46.757%0.56526%0.257SS*.THydrogen-bonded Turntrans-68.2-9.4178.329.5-34.6000113.4N385N385-P387 WeakPolarHBondContact O-CD 3.16Å
388W82.9Confident88.5Confident70 Ų7050.5 Ų50.527%0.26529%0.288SS..THydrogen-bonded Turntrans-103.45.4-176.8-51.5105.3000113.3D386 W525 Y526 K528D386-W388 PolarHBondContact O-N 3.05Å; D386-W388 VanDerWaalsContact O-N 3.16Å; D386-W388 WeakPolarHBondContact OD1-CA 3.44Å; D386-W388 WeakPolarHBondContact OD1-CB 3.28Å; D386-W388 PolarHBondContact OD1-N 3.06Å; W388-W525 PolarHBondContact O-N 3.44Å; W388-W525 VanDerWaalsContact O-N 3.12Å; W388-Y526 WeakPolarHBondContact O-CD2 3.4Å; W388-Y526 PolarHBondContact O-N 2.91Å; W388-Y526 VanDerWaalsContact O-N 3.07Å; W388-K528 HydrophobicContact CZ2-CG 4.41Å
389A89.4Confident89.4Confident2 Ų249.3 Ų49.32%0.01729%0.288CS..  trans-68.2146.7174.400000111.5L380 D386 S522L380-A389 HydrophobicContact CB-CB 4.16Å; L380-A389 HydrophobicContact CD1-CB 3.56Å; L380-A389 HydrophobicContact CG-CB 3.61Å; D386-A389 HydrophobicContact CB-CB 4.37Å; D386-A389 PolarHBondContact O-N 3.28Å; A389-S522 CarbonylContact C-O 3.55Å; A389-S522 WeakPolarHBondContact CA-O 3.5Å
390C89.8Confident90Very high9 Ų950.8 Ų50.86%0.06130%0.296CS..  trans-108.7140.6179.971.90000113.5S376 S392 S522 W525 Y526S376-C390 PolarHBondContact OG-O 3.1Å; C390-S392 PolarHBondContact O-N 3.33Å; C390-S392 PolarHBondContact O-OG 2.81Å; C390-S522 PolarHBondContact N-O 3.37Å; C390-S522 VanDerWaalsContact O-CB 3.32Å; C390-S522 WeakPolarHBondContact O-CB 3.49Å; C390-W525 HydrophobicContact CB-CB 3.74Å; C390-W525 HydrophobicContact CB-CD2 4.43Å; C390-W525 HydrophobicContact CB-CG 3.56Å; C390-W525 VanDerWaalsContact SG-CB 3.56Å; C390-W525 VanDerWaalsContact SG-CD1 3.6Å; C390-Y526 HydrophobicContact CB-CD2 4.21Å; C390-Y526 HydrophobicContact CB-CE2 3.45Å; C390-Y526 VanDerWaalsContact CB-CE2 3.45Å
391A94.5Very high90.4Very high30 Ų3052.8 Ų52.825%0.24831%0.31CS..  trans-62.3132.7170.600000109.7V374 S376 F377V374-A391 VanDerWaalsContact O-CA 3.26Å; V374-A391 WeakPolarHBondContact O-CA 3.43Å; S376-A391 PolarHBondContact O-N 2.88Å; S376-A391 VanDerWaalsContact O-N 3.15Å; S376-A391 PolarHBondContact OG-N 2.83Å; F377-A391 HydrophobicContact CD1-CB 3.52Å; F377-A391 HydrophobicContact CD2-CB 4.45Å; F377-A391 HydrophobicContact CE1-CB 3.51Å; F377-A391 HydrophobicContact CE2-CB 4.43Å; F377-A391 HydrophobicContact CG-CB 4.01Å; F377-A391 HydrophobicContact CZ-CB 3.98Å
392S96Very high90.9Very high19 Ų1956 Ų5613%0.13332%0.324CS..EExtended strand (participates in β ladder)trans-152.4144.9-172.549.80000113.5F373 V374 C390F373-S392 CarbonylContact C-O 3.59Å; F373-S392 WeakPolarHBondContact CA-O 3.48Å; F373-S392 WeakPolarHBondContact CD2-O 3.35Å; V374-S392 PolarHBondContact N-O 3.19Å; V374-S392 PolarHBondContact O-N 2.92Å; C390-S392 PolarHBondContact O-N 3.33Å; C390-S392 PolarHBondContact O-OG 2.81Å
393F97.6Very high91.8Very high51 Ų5160.5 Ų60.522%0.22434%0.342CS..EExtended strand (participates in β ladder)trans-101.1130.9160.7-81.8-73.9000109.2W345 V371 C372 F373 L396 L405 A408 I409W345-F393 HydrophobicContact CH2-CD2 4.28Å; W345-F393 AromaticContact CH2-CE2 3.65Å; W345-F393 HydrophobicContact CH2-CE2 3.65Å; W345-F393 AromaticContact CZ3-CE2 3.84Å; W345-F393 HydrophobicContact CZ3-CE2 3.84Å; W345-F393 HydrophobicContact CZ3-CZ 4.38Å; V371-F393 HydrophobicContact CG1-CD1 3.97Å; V371-F393 HydrophobicContact CG1-CE1 4.47Å; C372-F393 CarbonylContact O-C 3.54Å; C372-F393 WeakPolarHBondContact O-CA 3.44Å; F373-F393 HydrophobicContact CB-CD1 3.98Å; F373-F393 HydrophobicContact CB-CE1 3.68Å; F373-F393 HydrophobicContact CB-CZ 4.34Å; F373-F393 AromaticContact CD2-CD1 3.89Å; F373-F393 HydrophobicContact CD2-CD1 3.89Å; F373-F393 AromaticContact CD2-CD2 3.95Å; F373-F393 HydrophobicContact CD2-CD2 3.95Å; F373-F393 AromaticContact CD2-CE1 3.66Å; F373-F393 HydrophobicContact CD2-CE1 3.66Å; F373-F393 AromaticContact CD2-CE2 3.73Å; F373-F393 HydrophobicContact CD2-CE2 3.73Å; F373-F393 HydrophobicContact CD2-CG 4.03Å; F373-F393 AromaticContact CD2-CZ 3.58Å; F373-F393 HydrophobicContact CD2-CZ 3.58Å; F373-F393 HydrophobicContact CE2-CD2 4.33Å; F373-F393 AromaticContact CE2-CE2 4Å; F373-F393 HydrophobicContact CE2-CE2 4Å; F373-F393 HydrophobicContact CE2-CZ 4.16Å; F373-F393 HydrophobicContact CG-CD1 4.38Å; F373-F393 AromaticContact CG-CE1 3.95Å; F373-F393 HydrophobicContact CG-CE1 3.95Å; F373-F393 HydrophobicContact CG-CZ 4.12Å; F393-L396 HydrophobicContact CB-CD1 4.37Å; F393-L396 HydrophobicContact CB-CD2 4.28Å; F393-L396 HydrophobicContact CB-CG 4.43Å; F393-L405 HydrophobicContact CD1-CD2 3.82Å; F393-L405 HydrophobicContact CE1-CB 4.09Å; F393-L405 HydrophobicContact CE1-CD2 3.73Å; F393-L405 HydrophobicContact CE2-CD2 4.45Å; F393-L405 HydrophobicContact CG-CD2 4.23Å; F393-L405 HydrophobicContact CZ-CB 3.98Å; F393-L405 HydrophobicContact CZ-CD2 4.06Å; F393-A408 HydrophobicContact CE1-CB 4.3Å; F393-I409 HydrophobicContact CE1-CG1 4.24Å; F393-I409 HydrophobicContact CZ-CD1 3.84Å; F393-I409 HydrophobicContact CZ-CG1 3.81Å
394M97.9Very high92.6Very high51 Ų5158.6 Ų58.625%0.25133%0.328SS..EExtended strand (participates in β ladder)trans-129.7152.2176.3-62.5-172.3-170.300110.2V371 C372 A518 R521V371-M394 WeakPolarHBondContact CA-O 3.47Å; C372-M394 PolarHBondContact N-O 2.67Å; C372-M394 PolarHBondContact O-N 3.44Å; M394-A518 HydrophobicContact CB-CB 4.28Å; M394-A518 HydrophobicContact CG-CB 4.41Å; M394-A518 HydrophobicContact SD-CB 3.86Å; M394-R521 HydrophobicContact CE-CB 3.64Å; M394-R521 HydrophobicContact SD-CB 3.84Å
395G96.3Very high93.3Very high44 Ų4457.4 Ų57.445%0.45432%0.321SS..SBendtrans83.916.8-179.900000114.9
396L97.3Very high94.1Very high102 Ų10253 Ų5353%0.53430%0.298SS..  trans-62.2138.3175.4-58.4179.4000111.4V371 F393 T400 L405V371-L396 HydrophobicContact CG1-CD2 3.89Å; V371-L396 HydrophobicContact CG2-CD2 4.31Å; F393-L396 HydrophobicContact CB-CD1 4.37Å; F393-L396 HydrophobicContact CB-CD2 4.28Å; F393-L396 HydrophobicContact CB-CG 4.43Å; L396-T400 HydrophobicContact CD2-CG2 3.83Å; L396-L405 HydrophobicContact CD2-CD2 3.62Å
397K96Very high94.8Very high99 Ų9953.7 Ų53.743%0.4330%0.3SS..  trans-121.9162176.1-59.2176.2-166164.90109.5E369 S399 T400E369-K397 WeakPolarHBondContact O-CE 3.39Å; E369-K397 PolarHBondContact O-NZ 3.4Å; K397-S399 PolarHBondContact O-N 3.02Å; K397-S399 VanDerWaalsContact O-N 3.13Å; K397-T400 PolarHBondContact N-OG1 3.22Å; K397-T400 VanDerWaalsContact O-CB 3.23Å; K397-T400 WeakPolarHBondContact O-CB 3.45Å; K397-T400 PolarHBondContact O-N 2.91Å; K397-T400 PolarHBondContact O-OG1 3.34Å
398P96.6Very high95.7Very high149 Ų14949.6 Ų49.697%0.96827%0.274SS*.THydrogen-bonded Turntrans-57.6-24.4171.3-25.735.6000114.1
399S95.1Very high96.5Very high73 Ų7346.4 Ų46.451%0.5126%0.262SS..THydrogen-bonded Turntrans-80.9-11.7174.757.70000114.1E369 K397 S401E369-S399 PolarHBondContact OE2-OG 3.49Å; K397-S399 PolarHBondContact O-N 3.02Å; K397-S399 VanDerWaalsContact O-N 3.13Å; S399-S401 PolarHBondContact O-N 3.46Å
400T97.6Very high96.9Very high32 Ų3246.4 Ų46.420%0.19626%0.261CS..  trans-63.8127.4-175.1-61.80000110.6V371 L396 K397 H404 L405V371-T400 HydrophobicContact CG2-CG2 3.84Å; L396-T400 HydrophobicContact CD2-CG2 3.83Å; K397-T400 PolarHBondContact N-OG1 3.22Å; K397-T400 VanDerWaalsContact O-CB 3.23Å; K397-T400 WeakPolarHBondContact O-CB 3.45Å; K397-T400 PolarHBondContact O-N 2.91Å; K397-T400 PolarHBondContact O-OG1 3.34Å; T400-H404 HydrophobicContact CG2-CB 3.98Å; T400-L405 HydrophobicContact CG2-CD2 4.01Å; T400-L405 HydrophobicContact CG2-CG 4.38Å
401S96.9Very high97.2Very high45 Ų4546.2 Ų46.232%0.31526%0.26SS..  trans-113.2168.7179.378.50000111.2S399 Y403 H404 L405S399-S401 PolarHBondContact O-N 3.46Å; S401-Y403 PolarHBondContact O-N 2.8Å; S401-Y403 VanDerWaalsContact O-N 3.09Å; S401-Y403 PolarHBondContact OG-N 3.08Å; S401-H404 PolarHBondContact N-ND1 2.9Å; S401-H404 VanDerWaalsContact N-ND1 3.15Å; S401-H404 WeakPolarHBondContact O-CB 3.33Å; S401-H404 PolarHBondContact O-N 2.74Å; S401-H404 PolarHBondContact OG-ND1 3.31Å; S401-L405 PolarHBondContact O-N 3.43Å
402K97.1Very high97.4Very high96 Ų9644.9 Ų44.942%0.41725%0.248SC..Hα-helixtrans-55.5-28.1174.869.8178.2-166157.80113.8L351 M361 L405 V406L351-K402 HydrophobicContact CD2-CB 4.18Å; L351-K402 WeakPolarHBondContact O-CD 3.27Å; L351-K402 PolarHBondContact O-NZ 3.23Å; M361-K402 HydrophobicContact CE-CG 4.22Å; K402-L405 PolarHBondContact O-N 3.44Å; K402-V406 WeakPolarHBondContact O-CG2 3.43Å; K402-V406 PolarHBondContact O-N 2.93Å
403Y98.3Very high97.4Very high97 Ų9744.1 Ų44.138%0.3824%0.243SC..Hα-helixtrans-66.2-40.8176.8-72.4-107.6000111.6M361 S364 L365 S401 L405 V406 R407M361-Y403 HydrophobicContact CB-CD1 3.72Å; M361-Y403 HydrophobicContact CB-CE1 4Å; M361-Y403 HydrophobicContact CE-CD1 4.13Å; M361-Y403 HydrophobicContact CE-CD2 4.2Å; M361-Y403 HydrophobicContact CE-CE1 4.31Å; M361-Y403 HydrophobicContact CE-CE2 4.38Å; M361-Y403 HydrophobicContact CE-CG 4.07Å; M361-Y403 HydrophobicContact CG-CD1 3.94Å; M361-Y403 HydrophobicContact CG-CE1 3.74Å; S364-Y403 WeakPolarHBondContact OG-CD1 3.37Å; L365-Y403 VanDerWaalsContact CD1-C 3.47Å; S401-Y403 PolarHBondContact O-N 2.8Å; S401-Y403 VanDerWaalsContact O-N 3.09Å; S401-Y403 PolarHBondContact OG-N 3.08Å; Y403-L405 VanDerWaalsContact C-N 3.34Å; Y403-V406 PolarHBondContact O-N 2.68Å; Y403-R407 WeakPolarHBondContact O-CB 3.47Å; Y403-R407 PolarHBondContact O-N 3.39Å
404H98.3Very high97.4Very high14 Ų1441.7 Ų41.77%0.06523%0.232CC..Hα-helixtrans-66.2-39.3176.6-60.694000111.1L365 E369 V371 T400 S401 R407 A408L365-H404 HydrophobicContact CD1-CB 4.34Å; E369-H404 IonicContact OE1-NE2 2.74Å; E369-H404 IonicContact OE2-NE2 3.03Å; V371-H404 HydrophobicContact CG2-CB 4.44Å; T400-H404 HydrophobicContact CG2-CB 3.98Å; S401-H404 PolarHBondContact N-ND1 2.9Å; S401-H404 VanDerWaalsContact N-ND1 3.15Å; S401-H404 WeakPolarHBondContact O-CB 3.33Å; S401-H404 PolarHBondContact O-N 2.74Å; S401-H404 PolarHBondContact OG-ND1 3.31Å; H404-R407 PolarHBondContact O-N 2.9Å; H404-A408 VanDerWaalsContact O-CB 3.3Å; H404-A408 WeakPolarHBondContact O-CB 3.49Å; H404-A408 PolarHBondContact O-N 3.01Å
405L98.4Very high97.3Very high33 Ų3339.5 Ų39.517%0.17322%0.221CC..Hα-helixtrans-63-48.6175.8-58.9-179000111.5L351 V371 F393 L396 T400 S401 K402 Y403 R407 A408 I409L351-L405 HydrophobicContact CD1-CB 4.22Å; L351-L405 HydrophobicContact CD2-CD1 4.13Å; V371-L405 HydrophobicContact CG1-CD2 4.14Å; F393-L405 HydrophobicContact CD1-CD2 3.82Å; F393-L405 HydrophobicContact CE1-CB 4.09Å; F393-L405 HydrophobicContact CE1-CD2 3.73Å; F393-L405 HydrophobicContact CE2-CD2 4.45Å; F393-L405 HydrophobicContact CG-CD2 4.23Å; F393-L405 HydrophobicContact CZ-CB 3.98Å; F393-L405 HydrophobicContact CZ-CD2 4.06Å; L396-L405 HydrophobicContact CD2-CD2 3.62Å; T400-L405 HydrophobicContact CG2-CD2 4.01Å; T400-L405 HydrophobicContact CG2-CG 4.38Å; S401-L405 PolarHBondContact O-N 3.43Å; K402-L405 PolarHBondContact O-N 3.44Å; Y403-L405 VanDerWaalsContact C-N 3.34Å; L405-R407 VanDerWaalsContact C-N 3.35Å; L405-R407 PolarHBondContact O-N 3.47Å; L405-A408 PolarHBondContact O-N 3.25Å; L405-I409 WeakPolarHBondContact O-CG1 3.39Å; L405-I409 PolarHBondContact O-N 3.35Å
406V98.4Very high97.3Very high2 Ų237.6 Ų37.61%0.01220%0.201CC..Hα-helixtrans-60.5-45.1177.4169.80000110.9L351 F352 T358 M361 K402 Y403 I409 L410L351-V406 HydrophobicContact CB-CG2 3.95Å; L351-V406 HydrophobicContact CD1-CG2 4.49Å; F352-V406 HydrophobicContact CD1-CG2 3.82Å; F352-V406 HydrophobicContact CE1-CG2 4.42Å; T358-V406 HydrophobicContact CG2-CG1 4Å; M361-V406 HydrophobicContact CB-CG1 4.2Å; M361-V406 HydrophobicContact CE-CB 4.08Å; M361-V406 HydrophobicContact CE-CG1 4.43Å; M361-V406 HydrophobicContact CE-CG2 3.68Å; M361-V406 HydrophobicContact SD-CG1 4.3Å; M361-V406 HydrophobicContact SD-CG2 4.27Å; K402-V406 WeakPolarHBondContact O-CG2 3.43Å; K402-V406 PolarHBondContact O-N 2.93Å; Y403-V406 PolarHBondContact O-N 2.68Å; V406-I409 PolarHBondContact O-N 3.22Å; V406-L410 HydrophobicContact CG1-CD1 4.36Å; V406-L410 WeakPolarHBondContact O-CG 3.43Å; V406-L410 PolarHBondContact O-N 3.48Å; V406-L410 VanDerWaalsContact O-N 3.12Å
407R98.1Very high97.2Very high22 Ų2232.9 Ų32.98%0.08318%0.176CC..Hα-helixtrans-61-47176.1-177.3166.7178.6151.4-10.3112A362 L365 E366 D367 Y403 H404 L405 I409 L410 E411 F446A362-R407 HydrophobicContact CB-CB 4.16Å; A362-R407 HydrophobicContact CB-CG 4.13Å; A362-R407 PolarHBondContact O-NH1 3.34Å; L365-R407 HydrophobicContact CD1-CB 4.41Å; L365-R407 PolarHBondContact O-NH1 3.24Å; E366-R407 PolarHBondContact O-NH1 2.67Å; E366-R407 VanDerWaalsContact O-NH1 3.12Å; E366-R407 PolarHBondContact O-NH2 3.01Å; D367-R407 VanDerWaalsContact CA-CZ 3.48Å; Y403-R407 WeakPolarHBondContact O-CB 3.47Å; Y403-R407 PolarHBondContact O-N 3.39Å; H404-R407 PolarHBondContact O-N 2.9Å; L405-R407 VanDerWaalsContact C-N 3.35Å; L405-R407 PolarHBondContact O-N 3.47Å; R407-I409 VanDerWaalsContact C-N 3.26Å; R407-I409 PolarHBondContact O-N 2.96Å; R407-L410 PolarHBondContact O-N 3.03Å; R407-L410 VanDerWaalsContact O-N 3.09Å; R407-E411 HydrophobicContact CG-CG 4.03Å; R407-E411 IonicContact CZ-OE1 3.78Å; R407-E411 IonicContact NE-OE1 3.84Å; R407-E411 PolarHBondContact NE-OE1 2.96Å; R407-E411 IonicContact NH2-OE1 2.74Å; R407-E411 PolarHBondContact NH2-OE1 3.01Å; R407-E411 WeakPolarHBondContact O-CB 3.41Å; R407-E411 WeakPolarHBondContact O-CG 3.38Å; R407-E411 PolarHBondContact O-N 3.23Å; R407-F446 HydrophobicContact CG-CZ 4.21Å
408A98.3Very high97.2Very high2 Ų229.8 Ų29.82%0.01716%0.162CC..Hα-helixtrans-60.1-35.2178.800000112.7V371 F373 F393 H404 L405 S412V371-A408 HydrophobicContact CB-CB 4.28Å; V371-A408 HydrophobicContact CG1-CB 3.89Å; V371-A408 VanDerWaalsContact O-CB 3.29Å; V371-A408 WeakPolarHBondContact O-CB 3.43Å; F373-A408 HydrophobicContact CB-CB 4.28Å; F393-A408 HydrophobicContact CE1-CB 4.3Å; H404-A408 VanDerWaalsContact O-CB 3.3Å; H404-A408 WeakPolarHBondContact O-CB 3.49Å; H404-A408 PolarHBondContact O-N 3.01Å; L405-A408 PolarHBondContact O-N 3.25Å; A408-S412 WeakPolarHBondContact O-CB 3.25Å; A408-S412 PolarHBondContact O-N 2.96Å
409I98.1Very high97.1Very high2 Ų224.7 Ų24.71%0.0113%0.126CC..Hα-helixtrans-62.9-49.5172.6-68.4158.2000110.7A342 I343 W345 A346 L351 F373 F393 L405 V406 R407 S412 I413A342-I409 HydrophobicContact CB-CG2 4.11Å; I343-I409 HydrophobicContact CD1-CG2 3.88Å; W345-I409 HydrophobicContact CZ3-CD1 4.44Å; A346-I409 HydrophobicContact CB-CD1 3.63Å; L351-I409 HydrophobicContact CD1-CD1 4.23Å; F373-I409 HydrophobicContact CB-CG1 4.21Å; F373-I409 HydrophobicContact CD1-CB 4.1Å; F373-I409 HydrophobicContact CD1-CG1 3.63Å; F373-I409 HydrophobicContact CD1-CG2 4.26Å; F373-I409 HydrophobicContact CD2-CG1 4.3Å; F373-I409 HydrophobicContact CE1-CG1 3.97Å; F373-I409 HydrophobicContact CE1-CG2 4.34Å; F373-I409 HydrophobicContact CG-CG1 3.78Å; F373-I409 HydrophobicContact CZ-CG1 4.48Å; F393-I409 HydrophobicContact CE1-CG1 4.24Å; F393-I409 HydrophobicContact CZ-CD1 3.84Å; F393-I409 HydrophobicContact CZ-CG1 3.81Å; L405-I409 WeakPolarHBondContact O-CG1 3.39Å; L405-I409 PolarHBondContact O-N 3.35Å; V406-I409 PolarHBondContact O-N 3.22Å; R407-I409 VanDerWaalsContact C-N 3.26Å; R407-I409 PolarHBondContact O-N 2.96Å; I409-S412 WeakPolarHBondContact O-CB 3.31Å; I409-S412 PolarHBondContact O-N 2.66Å; I409-I413 PolarHBondContact O-N 2.99Å
410L98.1Very high97Very high2 Ų221.2 Ų21.21%0.0110%0.101CC..Hα-helixtrans-66.2-42-179.3-64.2177.7000112.5I343 A362 V406 R407 S412 I413 A414 N444 F446 V447I343-L410 HydrophobicContact CD1-CD2 3.65Å; A362-L410 HydrophobicContact CB-CD1 3.83Å; V406-L410 HydrophobicContact CG1-CD1 4.36Å; V406-L410 WeakPolarHBondContact O-CG 3.43Å; V406-L410 PolarHBondContact O-N 3.48Å; V406-L410 VanDerWaalsContact O-N 3.12Å; R407-L410 PolarHBondContact O-N 3.03Å; R407-L410 VanDerWaalsContact O-N 3.09Å; L410-S412 VanDerWaalsContact C-N 3.3Å; L410-S412 PolarHBondContact O-N 3.06Å; L410-I413 PolarHBondContact O-N 3.38Å; L410-A414 PolarHBondContact O-N 3.46Å; L410-N444 WeakPolarHBondContact CD1-ND2 3.35Å; L410-F446 HydrophobicContact CB-CD1 3.88Å; L410-F446 HydrophobicContact CB-CE1 3.9Å; L410-F446 HydrophobicContact CD1-CD1 4.21Å; L410-V447 HydrophobicContact CB-CG2 3.86Å; L410-V447 HydrophobicContact CD2-CG2 3.66Å; L410-V447 HydrophobicContact CG-CG2 4.26Å
411E97.6Very high96.9Very high6 Ų620 Ų203%0.0289%0.093CC..Hα-helixtrans-59.2-43.3173.6-71.6-178.4167.600110.8S368 R407 I413 A414 F415 F446 M450S368-E411 VanDerWaalsContact CB-OE2 3.31Å; S368-E411 WeakPolarHBondContact CB-OE2 3.48Å; S368-E411 PolarHBondContact OG-OE2 3.45Å; R407-E411 HydrophobicContact CG-CG 4.03Å; R407-E411 IonicContact CZ-OE1 3.78Å; R407-E411 IonicContact NE-OE1 3.84Å; R407-E411 PolarHBondContact NE-OE1 2.96Å; R407-E411 IonicContact NH2-OE1 2.74Å; R407-E411 PolarHBondContact NH2-OE1 3.01Å; R407-E411 WeakPolarHBondContact O-CB 3.41Å; R407-E411 WeakPolarHBondContact O-CG 3.38Å; R407-E411 PolarHBondContact O-N 3.23Å; E411-I413 VanDerWaalsContact C-N 3.26Å; E411-I413 PolarHBondContact O-N 3.43Å; E411-A414 PolarHBondContact O-N 2.98Å; E411-A414 VanDerWaalsContact O-N 3.15Å; E411-F415 HydrophobicContact CB-CD2 4.42Å; E411-F415 HydrophobicContact CB-CE2 3.86Å; E411-F415 HydrophobicContact CB-CZ 4.14Å; E411-F415 VanDerWaalsContact O-CD2 3.28Å; E411-F415 WeakPolarHBondContact O-CD2 3.31Å; E411-F415 WeakPolarHBondContact O-CG 3.5Å; E411-F415 PolarHBondContact O-N 3.46Å; E411-F446 HydrophobicContact CG-CE1 3.98Å; E411-F446 HydrophobicContact CG-CZ 3.87Å; E411-M450 HydrophobicContact CB-CE 4.16Å; E411-M450 HydrophobicContact CB-SD 4.14Å; E411-M450 HydrophobicContact CG-CE 3.88Å; E411-M450 HydrophobicContact CG-SD 3.83Å
412S97.1Very high96.7Very high1 Ų122 Ų221%0.00710%0.098CC..Hα-helixtrans-61-34.5177.5-174.80000112.9F373 P375 A408 I409 L410 F415 R416 W515F373-S412 VanDerWaalsContact O-CB 3.26Å; F373-S412 WeakPolarHBondContact O-CB 3.3Å; F373-S412 PolarHBondContact O-OG 2.89Å; P375-S412 WeakPolarHBondContact CD-OG 3.16Å; A408-S412 WeakPolarHBondContact O-CB 3.25Å; A408-S412 PolarHBondContact O-N 2.96Å; I409-S412 WeakPolarHBondContact O-CB 3.31Å; I409-S412 PolarHBondContact O-N 2.66Å; L410-S412 VanDerWaalsContact C-N 3.3Å; L410-S412 PolarHBondContact O-N 3.06Å; S412-F415 PolarHBondContact O-N 2.7Å; S412-R416 VanDerWaalsContact O-CG 3.29Å; S412-R416 WeakPolarHBondContact O-CG 3.48Å; S412-R416 PolarHBondContact O-N 3.07Å; S412-W515 PolarHBondContact OG-NE1 2.84Å
413I96.9Very high96.5Very high3 Ų318 Ų182%0.0158%0.081CC..Hα-helixtrans-64-48.1175.8-66.3167.6000109.5M295 T339 I343 I409 L410 E411 F415 R416 N417 V441 V447M295-I413 HydrophobicContact SD-CG2 4.29Å; T339-I413 HydrophobicContact CG2-CD1 4.12Å; T339-I413 HydrophobicContact CG2-CG1 4.2Å; T339-I413 HydrophobicContact CG2-CG2 3.77Å; I343-I413 HydrophobicContact CD1-CD1 3.91Å; I343-I413 HydrophobicContact CG1-CD1 4.17Å; I409-I413 PolarHBondContact O-N 2.99Å; L410-I413 PolarHBondContact O-N 3.38Å; E411-I413 VanDerWaalsContact C-N 3.26Å; E411-I413 PolarHBondContact O-N 3.43Å; I413-F415 VanDerWaalsContact C-N 3.31Å; I413-F415 PolarHBondContact O-N 3.38Å; I413-R416 PolarHBondContact O-N 3.3Å; I413-R416 VanDerWaalsContact O-N 3.17Å; I413-N417 PolarHBondContact O-N 3.38Å; I413-N417 PolarHBondContact O-OD1 3.48Å; I413-V441 HydrophobicContact CD1-CG1 4.21Å; I413-V447 HydrophobicContact CB-CG1 4.33Å; I413-V447 HydrophobicContact CG2-CG1 3.73Å
414A97.1Very high96.3Very high0 Ų013.6 Ų13.60%06%0.064CC..Hα-helixtrans-62-37.6177.400000112.4L410 E411 N417 K418 M450 L454L410-A414 PolarHBondContact O-N 3.46Å; E411-A414 PolarHBondContact O-N 2.98Å; E411-A414 VanDerWaalsContact O-N 3.15Å; A414-N417 WeakPolarHBondContact O-CB 3.34Å; A414-N417 PolarHBondContact O-N 3.35Å; A414-K418 PolarHBondContact O-N 3.46Å; A414-M450 HydrophobicContact CB-CB 4Å; A414-M450 HydrophobicContact CB-CG 3.89Å; A414-M450 HydrophobicContact CB-SD 3.78Å; A414-L454 HydrophobicContact CB-CD1 3.82Å
415F96.7Very high96.1Very high5 Ų518.3 Ų18.32%0.0228%0.084CC..Hα-helixtrans-66-39.2174.3-60.8-30.2000112.9E411 S412 I413 K418 Q419 M450 L454 L512 W515E411-F415 HydrophobicContact CB-CD2 4.42Å; E411-F415 HydrophobicContact CB-CE2 3.86Å; E411-F415 HydrophobicContact CB-CZ 4.14Å; E411-F415 VanDerWaalsContact O-CD2 3.28Å; E411-F415 WeakPolarHBondContact O-CD2 3.31Å; E411-F415 WeakPolarHBondContact O-CG 3.5Å; E411-F415 PolarHBondContact O-N 3.46Å; S412-F415 PolarHBondContact O-N 2.7Å; I413-F415 VanDerWaalsContact C-N 3.31Å; I413-F415 PolarHBondContact O-N 3.38Å; F415-K418 PolarHBondContact O-N 3.28Å; F415-Q419 PolarHBondContact O-N 3.19Å; F415-M450 HydrophobicContact CD1-CE 4.22Å; F415-M450 HydrophobicContact CE1-CE 3.32Å; F415-M450 HydrophobicContact CZ-CE 3.56Å; F415-L454 HydrophobicContact CD1-CD1 3.65Å; F415-L454 HydrophobicContact CD1-CD2 4.38Å; F415-L454 HydrophobicContact CE1-CD1 4.02Å; F415-L454 HydrophobicContact CE1-CD2 4.28Å; F415-L512 HydrophobicContact CB-CD2 4.22Å; F415-L512 HydrophobicContact CD1-CD2 3.22Å; F415-L512 HydrophobicContact CD1-CG 3.91Å; F415-L512 HydrophobicContact CE1-CD2 3.61Å; F415-L512 HydrophobicContact CE1-CG 3.73Å; F415-L512 HydrophobicContact CG-CD2 3.81Å; F415-L512 HydrophobicContact CZ-CD2 4.48Å; F415-L512 HydrophobicContact CZ-CG 4.45Å; F415-W515 HydrophobicContact CB-CD2 3.79Å; F415-W515 HydrophobicContact CB-CE3 3.78Å; F415-W515 HydrophobicContact CB-CG 4.45Å; F415-W515 HydrophobicContact CB-CH2 3.78Å; F415-W515 HydrophobicContact CB-CZ2 3.88Å; F415-W515 HydrophobicContact CB-CZ3 3.76Å; F415-W515 HydrophobicContact CD2-CB 3.76Å; F415-W515 AromaticContact CD2-CD1 3.71Å; F415-W515 AromaticContact CD2-CD2 3.7Å; F415-W515 HydrophobicContact CD2-CD2 3.7Å; F415-W515 HydrophobicContact CD2-CE3 4.26Å; F415-W515 AromaticContact CD2-CG 3.44Å; F415-W515 HydrophobicContact CD2-CG 3.44Å; F415-W515 VanDerWaalsContact CD2-CG 3.44Å; F415-W515 HydrophobicContact CE2-CB 3.9Å; F415-W515 HydrophobicContact CE2-CG 4.04Å; F415-W515 HydrophobicContact CG-CD2 4.12Å; F415-W515 HydrophobicContact CG-CE3 4.28Å; F415-W515 HydrophobicContact CG-CG 4.3Å
416R95.1Very high95.7Very high5 Ų524.7 Ų24.72%0.01911%0.11CC..Hα-helixtrans-65.2-40.7172.8-70.6-61.5-63172.20.6111.5A336 P375 A382 S412 I413 K418 Q419 L420 W515A336-R416 HydrophobicContact CB-CB 4.46Å; P375-R416 HydrophobicContact CG-CG 4.21Å; A382-R416 PolarHBondContact O-NH2 3.15Å; S412-R416 VanDerWaalsContact O-CG 3.29Å; S412-R416 WeakPolarHBondContact O-CG 3.48Å; S412-R416 PolarHBondContact O-N 3.07Å; I413-R416 PolarHBondContact O-N 3.3Å; I413-R416 VanDerWaalsContact O-N 3.17Å; R416-K418 VanDerWaalsContact C-N 3.32Å; R416-K418 PolarHBondContact O-N 3.15Å; R416-Q419 PolarHBondContact O-N 3.23Å; R416-Q419 VanDerWaalsContact O-N 3.15Å; R416-L420 PolarHBondContact O-N 3.04Å; R416-W515 VanDerWaalsContact CD-CZ2 3.5Å; R416-W515 HydrophobicContact CG-CH2 4.14Å; R416-W515 HydrophobicContact CG-CZ2 3.8Å
417N95.9Very high95.3Very high2 Ų226.7 Ų26.71%0.01112%0.119CC..Hα-helixtrans-57.7-46.2174-64.6-13.2000111.1L293 M295 T299 I413 A414 Q419 L420 Y421 T451L293-N417 HydrophobicContact CD2-CB 4.3Å; M295-N417 PolarHBondContact SD-ND2 3.42Å; M295-N417 VanDerWaalsContact SD-ND2 3.38Å; T299-N417 WeakPolarHBondContact CG2-OD1 3.17Å; I413-N417 PolarHBondContact O-N 3.38Å; I413-N417 PolarHBondContact O-OD1 3.48Å; A414-N417 WeakPolarHBondContact O-CB 3.34Å; A414-N417 PolarHBondContact O-N 3.35Å; N417-Q419 PolarHBondContact O-N 3.34Å; N417-L420 PolarHBondContact O-N 3.32Å; N417-Y421 WeakPolarHBondContact O-CB 3.5Å; N417-Y421 PolarHBondContact O-N 3.21Å; N417-T451 HydrophobicContact CB-CG2 3.6Å; N417-T451 PolarHBondContact ND2-OG1 3.26Å
418K95.5Very high95Very high34 Ų3425.9 Ų25.915%0.14812%0.117CC..Hα-helixtrans-58.5-45.7174.5-176.1-175.4-178.51710112A414 F415 R416 L420 Y421 E422 L454 I455 C505 L512A414-K418 PolarHBondContact O-N 3.46Å; F415-K418 PolarHBondContact O-N 3.28Å; R416-K418 VanDerWaalsContact C-N 3.32Å; R416-K418 PolarHBondContact O-N 3.15Å; K418-L420 VanDerWaalsContact C-N 3.32Å; K418-L420 PolarHBondContact O-N 3.29Å; K418-Y421 PolarHBondContact O-N 3.2Å; K418-E422 HydrophobicContact CG-CG 4.17Å; K418-E422 WeakPolarHBondContact O-CG 3.36Å; K418-E422 PolarHBondContact O-N 2.91Å; K418-L454 HydrophobicContact CB-CB 4.25Å; K418-L454 HydrophobicContact CD-CB 4.08Å; K418-L454 HydrophobicContact CD-CD2 4.14Å; K418-L454 HydrophobicContact CG-CB 4.4Å; K418-I455 HydrophobicContact CB-CG2 4.31Å; K418-I455 HydrophobicContact CG-CG2 4.45Å; K418-C505 PolarHBondContact NZ-SG 3.25Å; K418-L512 HydrophobicContact CD-CD1 4.19Å; K418-L512 HydrophobicContact CD-CD2 4.16Å
419Q93.9Very high94.6Very high43 Ų4333.6 Ų33.620%0.20115%0.152CC..Hα-helixtrans-59.3-41.9178.7-77.3-171.6-32.600112.6F415 R416 N417 M423 W515F415-Q419 PolarHBondContact O-N 3.19Å; R416-Q419 PolarHBondContact O-N 3.23Å; R416-Q419 VanDerWaalsContact O-N 3.15Å; N417-Q419 PolarHBondContact O-N 3.34Å; Q419-M423 WeakPolarHBondContact O-CB 3.5Å; Q419-M423 PolarHBondContact O-N 3.37Å; Q419-M423 VanDerWaalsContact O-N 3.13Å; Q419-W515 VanDerWaalsContact CD-CZ3 3.42Å; Q419-W515 HydrophobicContact CG-CH2 4.09Å; Q419-W515 HydrophobicContact CG-CZ3 3.99Å; Q419-W515 VanDerWaalsContact NE2-CZ3 3.3Å
420L93.8Very high94.4Very high0 Ų035.1 Ų35.10%016%0.16CC..Hα-helixtrans-64.9-44175.6-69.5177.9000111.7T299 L301 A336 R416 N417 K418 M423 M424T299-L420 HydrophobicContact CG2-CD1 3.94Å; L301-L420 HydrophobicContact CB-CB 4.33Å; L301-L420 HydrophobicContact CB-CD1 4.29Å; L301-L420 HydrophobicContact CD1-CB 3.97Å; A336-L420 HydrophobicContact CB-CD1 3.82Å; A336-L420 HydrophobicContact CB-CG 4.34Å; R416-L420 PolarHBondContact O-N 3.04Å; N417-L420 PolarHBondContact O-N 3.32Å; K418-L420 VanDerWaalsContact C-N 3.32Å; K418-L420 PolarHBondContact O-N 3.29Å; L420-M423 HydrophobicContact CD2-CE 3.89Å; L420-M423 PolarHBondContact O-N 2.94Å; L420-M424 WeakPolarHBondContact O-CB 3.42Å; L420-M424 PolarHBondContact O-N 2.9Å
421Y95.2Very high94.2Very high5 Ų540.1 Ų40.12%0.0219%0.192CC..Hα-helixtrans-64.7-43.9179.8178.1-96.1000112.7N417 K418 M423 M424 K425 V432 I435 I455 E457N417-Y421 WeakPolarHBondContact O-CB 3.5Å; N417-Y421 PolarHBondContact O-N 3.21Å; K418-Y421 PolarHBondContact O-N 3.2Å; Y421-M423 VanDerWaalsContact C-N 3.32Å; Y421-M423 PolarHBondContact O-N 3.44Å; Y421-M424 HydrophobicContact CD2-CE 3.55Å; Y421-M424 HydrophobicContact CE2-CE 3.57Å; Y421-M424 HydrophobicContact CG-CE 4.45Å; Y421-M424 WeakPolarHBondContact O-CB 3.48Å; Y421-M424 PolarHBondContact O-N 3.45Å; Y421-K425 HydrophobicContact CD1-CD 4.08Å; Y421-K425 HydrophobicContact CE1-CD 3.34Å; Y421-K425 HydrophobicContact CE1-CG 4.07Å; Y421-K425 PolarHBondContact O-N 3.3Å; Y421-V432 HydrophobicContact CE2-CG2 4.21Å; Y421-I435 HydrophobicContact CD2-CD1 4.21Å; Y421-I435 HydrophobicContact CE2-CD1 3.75Å; Y421-I455 HydrophobicContact CD1-CB 3.61Å; Y421-I455 HydrophobicContact CD1-CG2 3.73Å; Y421-I455 HydrophobicContact CD2-CB 4.45Å; Y421-I455 HydrophobicContact CD2-CD1 4.34Å; Y421-I455 HydrophobicContact CE1-CB 3.8Å; Y421-I455 HydrophobicContact CE1-CG2 4.43Å; Y421-I455 HydrophobicContact CG-CB 3.95Å; Y421-I455 HydrophobicContact CG-CG2 3.79Å; Y421-E457 HydrophobicContact CE2-CG 4.26Å; Y421-E457 VanDerWaalsContact OH-CG 3.25Å; Y421-E457 WeakPolarHBondContact OH-CG 3.24Å; Y421-E457 PolarHBondContact OH-OE1 3.46Å
422E93.8Very high94.2Very high89 Ų8941.5 Ų41.542%0.41620%0.201SC..Hα-helixtrans-64.6-37.8176.5-70.1-65168.100111.9K418 K425 K426K418-E422 HydrophobicContact CG-CG 4.17Å; K418-E422 WeakPolarHBondContact O-CG 3.36Å; K418-E422 PolarHBondContact O-N 2.91Å; E422-K425 PolarHBondContact O-N 3.17Å; E422-K426 WeakPolarHBondContact O-CB 3.32Å; E422-K426 PolarHBondContact O-N 3.47Å; E422-K426 VanDerWaalsContact O-N 3.12Å
423M92.3Very high94.1Very high12 Ų1245.1 Ų45.16%0.05922%0.223CC..Hα-helixtrans-62.9-45.7172.4178.9177.173.500111.2F316 A382 P383 Q419 L420 Y421 K425 K426 E427F316-M423 HydrophobicContact CD2-CE 3.4Å; F316-M423 VanDerWaalsContact CD2-CE 3.4Å; F316-M423 HydrophobicContact CD2-CG 4.09Å; F316-M423 HydrophobicContact CD2-SD 4.31Å; F316-M423 HydrophobicContact CE2-CB 4.34Å; F316-M423 HydrophobicContact CE2-CE 3.23Å; F316-M423 HydrophobicContact CE2-CG 4.01Å; F316-M423 HydrophobicContact CE2-SD 4.39Å; F316-M423 HydrophobicContact CZ-CE 4.24Å; A382-M423 HydrophobicContact CB-CE 3.57Å; A382-M423 HydrophobicContact CB-SD 3.87Å; P383-M423 HydrophobicContact CB-SD 3.65Å; Q419-M423 WeakPolarHBondContact O-CB 3.5Å; Q419-M423 PolarHBondContact O-N 3.37Å; Q419-M423 VanDerWaalsContact O-N 3.13Å; L420-M423 HydrophobicContact CD2-CE 3.89Å; L420-M423 PolarHBondContact O-N 2.94Å; Y421-M423 VanDerWaalsContact C-N 3.32Å; Y421-M423 PolarHBondContact O-N 3.44Å; M423-K425 VanDerWaalsContact C-N 3.35Å; M423-K425 PolarHBondContact O-N 2.94Å; M423-K426 PolarHBondContact O-N 2.72Å; M423-K426 VanDerWaalsContact O-N 3.14Å; M423-E427 WeakPolarHBondContact O-CG 3.23Å; M423-E427 PolarHBondContact O-N 3.38Å
424M94.1Very high94.1Very high4 Ų447.9 Ų47.92%0.0224%0.235CC..Hα-helixtrans-54.8-51176-175.9-163.662.100110.6V291 L301 V303 F316 L420 Y421 K426 E427 I428 V432V291-M424 HydrophobicContact CG1-SD 4.37Å; V291-M424 HydrophobicContact CG2-CE 4.18Å; V291-M424 HydrophobicContact CG2-SD 3.77Å; L301-M424 HydrophobicContact CD2-CB 4.36Å; L301-M424 HydrophobicContact CD2-CG 4.19Å; L301-M424 HydrophobicContact CD2-SD 3.47Å; L301-M424 WeakPolarHBondContact CD2-SD 3.11Å; V303-M424 HydrophobicContact CB-SD 4.09Å; V303-M424 HydrophobicContact CG1-CG 4.46Å; V303-M424 HydrophobicContact CG1-SD 4.43Å; V303-M424 HydrophobicContact CG2-SD 4.43Å; F316-M424 HydrophobicContact CE1-CB 4.35Å; F316-M424 HydrophobicContact CE1-CG 4.29Å; F316-M424 HydrophobicContact CE2-CB 3.76Å; F316-M424 HydrophobicContact CE2-CG 4.46Å; F316-M424 HydrophobicContact CZ-CB 3.54Å; F316-M424 HydrophobicContact CZ-CG 3.95Å; L420-M424 WeakPolarHBondContact O-CB 3.42Å; L420-M424 PolarHBondContact O-N 2.9Å; Y421-M424 HydrophobicContact CD2-CE 3.55Å; Y421-M424 HydrophobicContact CE2-CE 3.57Å; Y421-M424 HydrophobicContact CG-CE 4.45Å; Y421-M424 WeakPolarHBondContact O-CB 3.48Å; Y421-M424 PolarHBondContact O-N 3.45Å; M424-K426 PolarHBondContact O-N 3.49Å; M424-E427 PolarHBondContact O-N 3.25Å; M424-I428 HydrophobicContact CG-CB 4.29Å; M424-I428 HydrophobicContact CG-CD1 4.03Å; M424-I428 HydrophobicContact CG-CG1 4.42Å; M424-I428 WeakPolarHBondContact O-CA 3.27Å; M424-I428 VanDerWaalsContact O-CB 3.31Å; M424-I428 WeakPolarHBondContact O-CB 3.27Å; M424-I428 PolarHBondContact O-N 3.38Å; M424-V432 HydrophobicContact CE-CG2 3.39Å
425K93Very high94.2Very high112 Ų11248.2 Ų48.249%0.48724%0.237SC..Hα-helixtrans-60.7-32.7179.5-74.2-173.869167.20113.6Y421 E422 M423Y421-K425 HydrophobicContact CD1-CD 4.08Å; Y421-K425 HydrophobicContact CE1-CD 3.34Å; Y421-K425 HydrophobicContact CE1-CG 4.07Å; Y421-K425 PolarHBondContact O-N 3.3Å; E422-K425 PolarHBondContact O-N 3.17Å; M423-K425 VanDerWaalsContact C-N 3.35Å; M423-K425 PolarHBondContact O-N 2.94Å
426K91.8Very high94.2Very high168 Ų16849.4 Ų49.473%0.7324%0.241SC*.Hα-helixtrans-74.3-35.2-179.9-175.2179.2176.5-175.30112.5E422 M423 M424E422-K426 WeakPolarHBondContact O-CB 3.32Å; E422-K426 PolarHBondContact O-N 3.47Å; E422-K426 VanDerWaalsContact O-N 3.12Å; M423-K426 PolarHBondContact O-N 2.72Å; M423-K426 VanDerWaalsContact O-N 3.14Å; M424-K426 PolarHBondContact O-N 3.49Å
427E89.1Confident94.3Very high43 Ų4349.1 Ų49.120%0.20124%0.24CC..Hα-helixtrans-104.5-31.2-170.9-57.7-155.9125.400113.4T312 I313 G314 M423 M424 H429T312-E427 VanDerWaalsContact CB-OE2 3.23Å; T312-E427 WeakPolarHBondContact CB-OE2 3.48Å; T312-E427 HydrophobicContact CG2-CB 4.01Å; T312-E427 PolarHBondContact OG1-OE2 3.31Å; I313-E427 PolarHBondContact N-OE1 3.17Å; G314-E427 WeakPolarHBondContact CA-OE1 3.4Å; G314-E427 VanDerWaalsContact CA-OE2 3.25Å; G314-E427 WeakPolarHBondContact CA-OE2 3.39Å; G314-E427 PolarHBondContact N-OE1 2.89Å; G314-E427 PolarHBondContact N-OE2 3.37Å; M423-E427 WeakPolarHBondContact O-CG 3.23Å; M423-E427 PolarHBondContact O-N 3.38Å; M424-E427 PolarHBondContact O-N 3.25Å; E427-H429 PolarHBondContact O-ND1 2.89Å
428I91.5Very high94.3Very high6 Ų649.2 Ų49.23%0.03124%0.241CC..  trans-105.3101.9-175.7-53.4-173.8000108.2V303 Q310 T312 F316 A332 M424 I430V303-I428 HydrophobicContact CG1-CD1 3.39Å; V303-I428 HydrophobicContact CG1-CG2 4.17Å; Q310-I428 HydrophobicContact CG-CG2 4.37Å; T312-I428 HydrophobicContact CG2-CG1 4.38Å; F316-I428 HydrophobicContact CB-CD1 4.35Å; F316-I428 HydrophobicContact CD1-CD1 3.6Å; F316-I428 HydrophobicContact CD2-CD1 4.45Å; F316-I428 HydrophobicContact CE1-CD1 4Å; F316-I428 HydrophobicContact CG-CD1 3.89Å; A332-I428 HydrophobicContact CB-CD1 3.41Å; A332-I428 VanDerWaalsContact CB-CD1 3.41Å; M424-I428 HydrophobicContact CG-CB 4.29Å; M424-I428 HydrophobicContact CG-CD1 4.03Å; M424-I428 HydrophobicContact CG-CG1 4.42Å; M424-I428 WeakPolarHBondContact O-CA 3.27Å; M424-I428 VanDerWaalsContact O-CB 3.31Å; M424-I428 WeakPolarHBondContact O-CB 3.27Å; M424-I428 PolarHBondContact O-N 3.38Å; I428-I430 HydrophobicContact CG2-CB 4Å; I428-I430 HydrophobicContact CG2-CD1 4.12Å; I428-I430 HydrophobicContact CG2-CG1 4.07Å; I428-I430 PolarHBondContact O-N 3.43Å
429H90.1Very high94.1Very high163 Ų16348 Ų4876%0.75524%0.238SC*.  trans-8244.4-176.7-59.279.5000111.6E427E427-H429 PolarHBondContact O-ND1 2.89Å
430I94.1Very high94Very high34 Ų3448.3 Ų48.317%0.17425%0.252CS..SBendtrans-118.7123.9177.8-63.2176.2000106.9T288 T305 Q310 I428 V432T288-I430 HydrophobicContact CG2-CD1 4.13Å; T288-I430 HydrophobicContact CG2-CG2 3.61Å; T305-I430 HydrophobicContact CG2-CD1 3.97Å; Q310-I430 HydrophobicContact CG-CD1 4.39Å; I428-I430 HydrophobicContact CG2-CB 4Å; I428-I430 HydrophobicContact CG2-CD1 4.12Å; I428-I430 HydrophobicContact CG2-CG1 4.07Å; I428-I430 PolarHBondContact O-N 3.43Å; I430-V432 PolarHBondContact O-N 2.82Å
431P94.5Very high94Very high107 Ų10749.1 Ų49.170%0.69526%0.257SS*.  trans-60134.7176.6-23.333.9000111.4G289 T433G289-P431 VanDerWaalsContact CA-O 3.31Å; G289-P431 WeakPolarHBondContact CA-O 3.45Å; P431-T433 PolarHBondContact O-N 3.31Å
432V96.6Very high94Very high35 Ų3548.9 Ų48.921%0.21226%0.256CS..  trans-71.1128.1173.1179.30000108.8G289 V291 Y421 M424 I430 I435G289-V432 WeakPolarHBondContact O-CA 3.27Å; V291-V432 HydrophobicContact CG2-CG1 3.91Å; V291-V432 HydrophobicContact CG2-CG2 4.1Å; Y421-V432 HydrophobicContact CE2-CG2 4.21Å; M424-V432 HydrophobicContact CE-CG2 3.39Å; I430-V432 PolarHBondContact O-N 2.82Å; V432-I435 HydrophobicContact CG1-CD1 4.17Å; V432-I435 HydrophobicContact CG1-CG1 3.72Å
433T96.1Very high94Very high78 Ų7851 Ų5148%0.47926%0.264SS..  trans-99.1-37.5-179.449.30000112.1G289 D290 P431G289-T433 PolarHBondContact O-N 3.09Å; G289-T433 PolarHBondContact O-OG1 3.47Å; G289-T433 VanDerWaalsContact O-OG1 3.09Å; D290-T433 WeakPolarHBondContact CA-OG1 3.46Å; D290-T433 PolarHBondContact N-OG1 3.48Å; D290-T433 PolarHBondContact OD1-OG1 2.94Å; P431-T433 PolarHBondContact O-N 3.31Å
434K96.1Very high94.3Very high60 Ų6051.1 Ų51.126%0.26127%0.265SS..EExtended strand (participates in β ladder)trans-160.6157.3174.771.7-165.166.2138.90109.9D290 V291D290-K434 HydrophobicContact CB-CG 4.25Å; D290-K434 WeakPolarHBondContact OD1-CD 3.12Å; D290-K434 WeakPolarHBondContact OD1-CE 3.24Å; D290-K434 WeakPolarHBondContact OD1-CG 3.47Å; D290-K434 IonicContact OD1-NZ 3.65Å; D290-K434 PolarHBondContact OD1-NZ 3.12Å; D290-K434 IonicContact OD2-NZ 3.51Å; D290-K434 PolarHBondContact OD2-NZ 3.31Å; D290-K434 VanDerWaalsContact OD2-NZ 3.09Å; V291-K434 PolarHBondContact N-O 2.91Å
435I98.3Very high94.4Very high7 Ų751.2 Ų51.24%0.03627%0.268CS..EExtended strand (participates in β ladder)trans-122.3126.2173.6-50.9-175.7000108.7V291 Y421 V432 I455 E457 I459 D460V291-I435 HydrophobicContact CB-CG1 4.21Å; V291-I435 HydrophobicContact CG1-CG2 4.26Å; V291-I435 WeakPolarHBondContact O-CA 3.41Å; Y421-I435 HydrophobicContact CD2-CD1 4.21Å; Y421-I435 HydrophobicContact CE2-CD1 3.75Å; V432-I435 HydrophobicContact CG1-CD1 4.17Å; V432-I435 HydrophobicContact CG1-CG1 3.72Å; I435-I455 HydrophobicContact CD1-CD1 3.56Å; I435-E457 HydrophobicContact CD1-CB 3.59Å; I435-E457 HydrophobicContact CD1-CG 3.88Å; I435-E457 HydrophobicContact CG1-CB 4.44Å; I435-I459 HydrophobicContact CB-CG1 4.43Å; I435-I459 HydrophobicContact CG2-CG1 4.24Å; I435-I459 HydrophobicContact CG2-CG2 4.23Å; I435-I459 WeakPolarHBondContact O-CA 3.45Å; I435-D460 PolarHBondContact O-N 2.94Å
436R98Very high94.7Very high30 Ų3047 Ų4711%0.11325%0.249CC..EExtended strand (participates in β ladder)trans-114.8151.6174.4-69179.9162.4166.4-13.1109.9E283 C284 V291 K292 L293 D460E283-R436 HydrophobicContact CB-CB 4.36Å; E283-R436 HydrophobicContact CG-CB 4.27Å; E283-R436 WeakPolarHBondContact O-CD 3Å; E283-R436 VanDerWaalsContact O-CZ 3.28Å; E283-R436 PolarHBondContact O-NH1 3.02Å; E283-R436 WeakPolarHBondContact OE2-CD 3.29Å; C284-R436 PolarHBondContact O-NH1 3.19Å; V291-R436 PolarHBondContact O-N 3.13Å; K292-R436 CarbonylContact C-O 3.55Å; K292-R436 WeakPolarHBondContact CA-O 3.3Å; L293-R436 PolarHBondContact N-O 3.3Å; R436-D460 WeakPolarHBondContact CA-O 3.2Å; R436-D460 HydrophobicContact CG-CB 4.27Å; R436-D460 IonicContact NE-OD2 3.61Å; R436-D460 IonicContact NH2-OD2 3.8Å
437A97.1Very high95Very high0 Ų039 Ų390%021%0.214CC..EExtended strand (participates in β ladder)trans-137.6136.3-179.400000111.4L293 M295 C442 M448 I459 D460 P462L293-A437 HydrophobicContact CB-CB 4.35Å; L293-A437 VanDerWaalsContact O-CA 3.31Å; L293-A437 WeakPolarHBondContact O-CA 3.38Å; M295-A437 HydrophobicContact CE-CB 4.23Å; A437-C442 HydrophobicContact CB-CB 4.4Å; A437-M448 HydrophobicContact CB-CE 3.43Å; A437-M448 VanDerWaalsContact CB-CE 3.43Å; A437-M448 HydrophobicContact CB-SD 4.18Å; A437-I459 HydrophobicContact CB-CG2 3.66Å; A437-D460 PolarHBondContact N-O 3.45Å; A437-P462 WeakPolarHBondContact O-CD 3.38Å
438D95.5Very high95.4Very high3 Ų337 Ų372%0.01621%0.205CC..EExtended strand (participates in β ladder)trans-138.9-177-17960.649.4000111.3E283 K292 L293 T294 M295 M467E283-D438 WeakPolarHBondContact CG-OD2 3.36Å; K292-D438 WeakPolarHBondContact CD-OD2 3.37Å; L293-D438 PolarHBondContact O-N 3.27Å; T294-D438 WeakPolarHBondContact CA-OD1 3.42Å; T294-D438 WeakPolarHBondContact CB-OD1 3.02Å; T294-D438 VanDerWaalsContact CG2-OD1 3.23Å; T294-D438 WeakPolarHBondContact CG2-OD1 3.41Å; T294-D438 PolarHBondContact OG1-OD1 3.32Å; M295-D438 PolarHBondContact N-O 2.83Å; D438-M467 HydrophobicContact CB-CB 4.07Å; D438-M467 HydrophobicContact CB-CG 3.63Å
439G91.8Very high95.7Very high10 Ų1038.1 Ų38.110%0.10321%0.21CC..SBendtrans86.6165.3-177.600000114.1M295 V441 C442 V465M295-G439 CarbonylContact O-C 3.56Å; G439-V441 VanDerWaalsContact C-N 3.31Å; G439-V441 PolarHBondContact O-N 3.47Å; G439-C442 PolarHBondContact O-N 2.97Å; G439-C442 PolarHBondContact O-SG 3.45Å; G439-V465 PolarHBondContact N-O 2.89Å
440G91.1Very high96.1Very high48 Ų4830.6 Ų30.650%0.49518%0.176SC..G310 helixtrans-61.4-33.2-168.100000114.9M295 C442 K443M295-G440 PolarHBondContact O-N 3.04Å; G440-C442 VanDerWaalsContact C-N 3.35Å; G440-K443 PolarHBondContact O-N 3.36Å
441V93.8Very high96.3Very high17 Ų1729 Ų2910%0.10317%0.168CC..G310 helixtrans-76.2-24-177.1176.90000111.9M295 T339 I343 I413 G439 K443 N444M295-V441 HydrophobicContact CB-CB 3.85Å; M295-V441 HydrophobicContact CB-CG1 4.37Å; M295-V441 PolarHBondContact O-N 3.19Å; T339-V441 HydrophobicContact CG2-CB 4.38Å; T339-V441 HydrophobicContact CG2-CG1 4.21Å; T339-V441 HydrophobicContact CG2-CG2 4.19Å; I343-V441 HydrophobicContact CG1-CG2 4.34Å; I413-V441 HydrophobicContact CD1-CG1 4.21Å; G439-V441 VanDerWaalsContact C-N 3.31Å; G439-V441 PolarHBondContact O-N 3.47Å; V441-K443 PolarHBondContact O-N 3.09Å; V441-K443 VanDerWaalsContact O-N 3.1Å; V441-N444 WeakPolarHBondContact O-CB 3.39Å; V441-N444 PolarHBondContact O-N 3.37Å
442C94.7Very high96.5Very high0 Ų024 Ų240%013%0.134CC..G310 helixtrans-64.7-15.7177.7850000113.2M295 A437 G439 G440 N444 M448 R461 V465M295-C442 HydrophobicContact CE-CB 3.73Å; A437-C442 HydrophobicContact CB-CB 4.4Å; G439-C442 PolarHBondContact O-N 2.97Å; G439-C442 PolarHBondContact O-SG 3.45Å; G440-C442 VanDerWaalsContact C-N 3.35Å; C442-N444 PolarHBondContact O-N 2.7Å; C442-M448 HydrophobicContact CB-SD 3.67Å; C442-M448 WeakPolarHBondContact O-CG 3.45Å; C442-R461 WeakPolarHBondContact O-CD 3.3Å; C442-R461 PolarHBondContact O-NH1 3.13Å; C442-V465 VanDerWaalsContact SG-CG1 3.57Å
443K95.1Very high96.5Very high134 Ų13422.4 Ų22.458%0.58313%0.125SC*.G310 helixtrans-60.7-27.7172.1-64.4-172.1-177.9-172.50112.4G440 V441 G445 R461 V465G440-K443 PolarHBondContact O-N 3.36Å; V441-K443 PolarHBondContact O-N 3.09Å; V441-K443 VanDerWaalsContact O-N 3.1Å; K443-G445 PolarHBondContact O-N 2.98Å; K443-R461 VanDerWaalsContact C-NH1 3.33Å; K443-R461 PolarHBondContact O-NH1 3.37Å; K443-V465 VanDerWaalsContact CE-CG2 3.44Å; K443-V465 HydrophobicContact CG-CG1 4.33Å
444N97.5Very high96.6Very high14 Ų1418.9 Ų18.98%0.07510%0.103CC..  trans-76.4105.8177.7-172.8-53.6000110.7T358 E359 L410 V441 C442 F446 V447 M448T358-N444 PolarHBondContact OG1-ND2 2.79Å; E359-N444 PolarHBondContact N-ND2 3.15Å; L410-N444 WeakPolarHBondContact CD1-ND2 3.35Å; V441-N444 WeakPolarHBondContact O-CB 3.39Å; V441-N444 PolarHBondContact O-N 3.37Å; C442-N444 PolarHBondContact O-N 2.7Å; N444-F446 VanDerWaalsContact C-N 3.25Å; N444-F446 PolarHBondContact O-N 3.47Å; N444-F446 VanDerWaalsContact OD1-CB 3.3Å; N444-F446 WeakPolarHBondContact OD1-CB 3.49Å; N444-F446 PolarHBondContact OD1-N 3.11Å; N444-V447 HydrophobicContact CB-CG2 4.3Å; N444-V447 PolarHBondContact O-N 2.95Å; N444-V447 PolarHBondContact OD1-N 2.84Å; N444-M448 WeakPolarHBondContact O-CG 3.04Å; N444-M448 PolarHBondContact O-N 3.35Å
445G97.6Very high96.6Very high7 Ų716.6 Ų16.67%0.0729%0.094CC..Hα-helixtrans-65.7-23.7-177.400000114.1E359 K443 Q449E359-G445 PolarHBondContact OE2-N 3.19Å; K443-G445 PolarHBondContact O-N 2.98Å; G445-Q449 VanDerWaalsContact O-CB 3.23Å; G445-Q449 WeakPolarHBondContact O-CB 3.37Å; G445-Q449 PolarHBondContact O-N 3.49Å
446F97.9Very high96.5Very high23 Ų2321.5 Ų21.510%0.10112%0.12CC..Hα-helixtrans-67.1-47.3174.3172.2-87.8000111.1E359 A362 K363 R407 L410 E411 N444 M448 Q449 M450E359-F446 HydrophobicContact CG-CB 4.12Å; A362-F446 HydrophobicContact CB-CD1 4.05Å; A362-F446 HydrophobicContact CB-CD2 4.07Å; A362-F446 HydrophobicContact CB-CE1 4.19Å; A362-F446 HydrophobicContact CB-CE2 4.2Å; A362-F446 HydrophobicContact CB-CG 4Å; A362-F446 HydrophobicContact CB-CZ 4.26Å; K363-F446 HydrophobicContact CG-CD2 4.26Å; R407-F446 HydrophobicContact CG-CZ 4.21Å; L410-F446 HydrophobicContact CB-CD1 3.88Å; L410-F446 HydrophobicContact CB-CE1 3.9Å; L410-F446 HydrophobicContact CD1-CD1 4.21Å; E411-F446 HydrophobicContact CG-CE1 3.98Å; E411-F446 HydrophobicContact CG-CZ 3.87Å; N444-F446 VanDerWaalsContact C-N 3.25Å; N444-F446 PolarHBondContact O-N 3.47Å; N444-F446 VanDerWaalsContact OD1-CB 3.3Å; N444-F446 WeakPolarHBondContact OD1-CB 3.49Å; N444-F446 PolarHBondContact OD1-N 3.11Å; F446-M448 VanDerWaalsContact C-N 3.34Å; F446-M448 PolarHBondContact O-N 3.44Å; F446-Q449 PolarHBondContact O-N 2.9Å; F446-M450 HydrophobicContact CE1-SD 4.16Å; F446-M450 HydrophobicContact CZ-SD 4.18Å; F446-M450 VanDerWaalsContact O-CB 3.27Å; F446-M450 WeakPolarHBondContact O-CB 3.26Å; F446-M450 PolarHBondContact O-N 2.74Å
447V97.9Very high96.5Very high0 Ų023.3 Ų23.30%013%0.13CC..Hα-helixtrans-61.7-44.2176.7175.20000110.7M295 L410 I413 N444 T451M295-V447 HydrophobicContact SD-CG1 4.19Å; L410-V447 HydrophobicContact CB-CG2 3.86Å; L410-V447 HydrophobicContact CD2-CG2 3.66Å; L410-V447 HydrophobicContact CG-CG2 4.26Å; I413-V447 HydrophobicContact CB-CG1 4.33Å; I413-V447 HydrophobicContact CG2-CG1 3.73Å; N444-V447 HydrophobicContact CB-CG2 4.3Å; N444-V447 PolarHBondContact O-N 2.95Å; N444-V447 PolarHBondContact OD1-N 2.84Å; V447-T451 VanDerWaalsContact O-CB 3.27Å; V447-T451 WeakPolarHBondContact O-CB 3.45Å; V447-T451 PolarHBondContact O-N 2.88Å; V447-T451 PolarHBondContact O-OG1 3.14Å
448M98.2Very high96.5Very high0 Ų027.2 Ų27.20%015%0.151CC..Hα-helixtrans-62.5-50.1179.4-66.8-50-53.400112.6M295 A437 C442 N444 F446 T451 S452 I459 F499M295-M448 HydrophobicContact CE-CE 4.29Å; M295-M448 HydrophobicContact CE-SD 3.34Å; M295-M448 WeakPolarHBondContact CE-SD 3.29Å; A437-M448 HydrophobicContact CB-CE 3.43Å; A437-M448 VanDerWaalsContact CB-CE 3.43Å; A437-M448 HydrophobicContact CB-SD 4.18Å; C442-M448 HydrophobicContact CB-SD 3.67Å; C442-M448 WeakPolarHBondContact O-CG 3.45Å; N444-M448 WeakPolarHBondContact O-CG 3.04Å; N444-M448 PolarHBondContact O-N 3.35Å; F446-M448 VanDerWaalsContact C-N 3.34Å; F446-M448 PolarHBondContact O-N 3.44Å; M448-T451 PolarHBondContact O-N 2.99Å; M448-S452 PolarHBondContact O-N 3.12Å; M448-I459 HydrophobicContact CE-CB 4.06Å; M448-I459 HydrophobicContact CE-CD1 4.36Å; M448-I459 HydrophobicContact CE-CG2 3.34Å; M448-F499 HydrophobicContact CB-CD1 3.78Å; M448-F499 HydrophobicContact CB-CD2 3.73Å; M448-F499 HydrophobicContact CB-CE1 3.62Å; M448-F499 HydrophobicContact CB-CE2 3.59Å; M448-F499 HydrophobicContact CB-CG 3.83Å; M448-F499 HydrophobicContact CB-CZ 3.53Å; M448-F499 HydrophobicContact CE-CD2 4.27Å; M448-F499 HydrophobicContact CE-CE2 4.47Å; M448-F499 HydrophobicContact CG-CD2 4.33Å; M448-F499 HydrophobicContact CG-CE1 4.49Å; M448-F499 HydrophobicContact CG-CE2 3.85Å; M448-F499 HydrophobicContact CG-CZ 3.94Å
449Q98.3Very high96.7Very high31 Ų3127 Ų2715%0.14515%0.15CC..Hα-helixtrans-63.6-46.7-179.7-174.459.259.600111.2G445 F446 T451 S452 D453 F499 K500 Q502G445-Q449 VanDerWaalsContact O-CB 3.23Å; G445-Q449 WeakPolarHBondContact O-CB 3.37Å; G445-Q449 PolarHBondContact O-N 3.49Å; F446-Q449 PolarHBondContact O-N 2.9Å; Q449-T451 VanDerWaalsContact C-N 3.33Å; Q449-T451 PolarHBondContact O-N 3.11Å; Q449-S452 WeakPolarHBondContact O-CB 3.38Å; Q449-S452 PolarHBondContact O-N 2.87Å; Q449-D453 PolarHBondContact NE2-OD1 3.29Å; Q449-D453 VanDerWaalsContact O-CG 3.24Å; Q449-D453 PolarHBondContact O-N 3.2Å; Q449-F499 HydrophobicContact CB-CD1 4.13Å; Q449-K500 PolarHBondContact NE2-O 3.19Å; Q449-Q502 VanDerWaalsContact CD-CD 3.48Å
450M97.8Very high97Very high5 Ų527.9 Ų27.93%0.02515%0.152CC..Hα-helixtrans-63.2-40.2178.2-169-176.3-167.500111.5E411 A414 F415 F446 D453 L454 Y508E411-M450 HydrophobicContact CB-CE 4.16Å; E411-M450 HydrophobicContact CB-SD 4.14Å; E411-M450 HydrophobicContact CG-CE 3.88Å; E411-M450 HydrophobicContact CG-SD 3.83Å; A414-M450 HydrophobicContact CB-CB 4Å; A414-M450 HydrophobicContact CB-CG 3.89Å; A414-M450 HydrophobicContact CB-SD 3.78Å; F415-M450 HydrophobicContact CD1-CE 4.22Å; F415-M450 HydrophobicContact CE1-CE 3.32Å; F415-M450 HydrophobicContact CZ-CE 3.56Å; F446-M450 HydrophobicContact CE1-SD 4.16Å; F446-M450 HydrophobicContact CZ-SD 4.18Å; F446-M450 VanDerWaalsContact O-CB 3.27Å; F446-M450 WeakPolarHBondContact O-CB 3.26Å; F446-M450 PolarHBondContact O-N 2.74Å; M450-D453 PolarHBondContact O-N 3.31Å; M450-L454 HydrophobicContact CE-CD1 4.35Å; M450-L454 HydrophobicContact CG-CD1 3.87Å; M450-L454 HydrophobicContact CG-CG 4.25Å; M450-L454 VanDerWaalsContact O-CB 3.24Å; M450-L454 WeakPolarHBondContact O-CB 3.41Å; M450-L454 WeakPolarHBondContact O-CD1 3.35Å; M450-L454 WeakPolarHBondContact O-CG 3.35Å; M450-L454 PolarHBondContact O-N 3.4Å; M450-L454 HydrophobicContact SD-CD1 4.5Å; M450-Y508 HydrophobicContact CE-CD1 3.55Å; M450-Y508 HydrophobicContact CE-CE1 3.71Å; M450-Y508 HydrophobicContact CE-CG 4.37Å; M450-Y508 HydrophobicContact CG-CE1 4.06Å
451T97.9Very high97.3Very high1 Ų126.7 Ų26.71%0.00613%0.132CC..Hα-helixtrans-60.2-47.3174.8-58.30000110.7L293 N417 V447 M448 Q449 D453 L454 I455 I459L293-T451 HydrophobicContact CD2-CG2 4.17Å; N417-T451 HydrophobicContact CB-CG2 3.6Å; N417-T451 PolarHBondContact ND2-OG1 3.26Å; V447-T451 VanDerWaalsContact O-CB 3.27Å; V447-T451 WeakPolarHBondContact O-CB 3.45Å; V447-T451 PolarHBondContact O-N 2.88Å; V447-T451 PolarHBondContact O-OG1 3.14Å; M448-T451 PolarHBondContact O-N 2.99Å; Q449-T451 VanDerWaalsContact C-N 3.33Å; Q449-T451 PolarHBondContact O-N 3.11Å; T451-D453 PolarHBondContact O-N 3.38Å; T451-L454 PolarHBondContact O-N 3.39Å; T451-I455 HydrophobicContact CG2-CD1 4.37Å; T451-I455 VanDerWaalsContact O-CG1 3.31Å; T451-I455 WeakPolarHBondContact O-CG1 3.48Å; T451-I455 PolarHBondContact O-N 2.79Å; T451-I459 HydrophobicContact CG2-CD1 3.69Å
452S98.4Very high97.3Very high0 Ų026 Ų260%013%0.128CC..Hα-helixtrans-58.9-45.3177.51780000112.1M448 Q449 L454 N456 E457 F499 P501M448-S452 PolarHBondContact O-N 3.12Å; Q449-S452 WeakPolarHBondContact O-CB 3.38Å; Q449-S452 PolarHBondContact O-N 2.87Å; S452-L454 PolarHBondContact O-N 3.23Å; S452-N456 VanDerWaalsContact O-CA 3.3Å; S452-N456 WeakPolarHBondContact O-CA 3.43Å; S452-N456 PolarHBondContact O-N 3.21Å; S452-E457 WeakPolarHBondContact CB-O 3.43Å; S452-E457 PolarHBondContact O-N 2.8Å; S452-E457 PolarHBondContact OG-O 2.68Å; S452-F499 PolarHBondContact OG-O 2.98Å; S452-P501 WeakPolarHBondContact OG-CD 3.36Å
453D98Very high97.2Very high2 Ų230 Ų301%0.01115%0.153CC..Hα-helixtrans-61.5-43.2176-62.4-18.7000112.1Q449 M450 T451 N456 P501 Q502 K503 Y508Q449-D453 PolarHBondContact NE2-OD1 3.29Å; Q449-D453 VanDerWaalsContact O-CG 3.24Å; Q449-D453 PolarHBondContact O-N 3.2Å; M450-D453 PolarHBondContact O-N 3.31Å; T451-D453 PolarHBondContact O-N 3.38Å; D453-N456 PolarHBondContact O-N 3.4Å; D453-P501 WeakPolarHBondContact OD1-CA 3.46Å; D453-Q502 PolarHBondContact OD1-N 2.87Å; D453-K503 HydrophobicContact CB-CB 4.4Å; D453-K503 PolarHBondContact OD1-N 3.12Å; D453-Y508 HydrophobicContact CB-CE2 3.61Å; D453-Y508 PolarHBondContact OD2-OH 2.94Å
454L97.3Very high96.8Very high4 Ų425.9 Ų25.92%0.02114%0.137CC..Hα-helixtrans-70-37.4-174.5-79.1173000113.6A414 F415 K418 M450 T451 S452 Y508 L512A414-L454 HydrophobicContact CB-CD1 3.82Å; F415-L454 HydrophobicContact CD1-CD1 3.65Å; F415-L454 HydrophobicContact CD1-CD2 4.38Å; F415-L454 HydrophobicContact CE1-CD1 4.02Å; F415-L454 HydrophobicContact CE1-CD2 4.28Å; K418-L454 HydrophobicContact CB-CB 4.25Å; K418-L454 HydrophobicContact CD-CB 4.08Å; K418-L454 HydrophobicContact CD-CD2 4.14Å; K418-L454 HydrophobicContact CG-CB 4.4Å; M450-L454 HydrophobicContact CE-CD1 4.35Å; M450-L454 HydrophobicContact CG-CD1 3.87Å; M450-L454 HydrophobicContact CG-CG 4.25Å; M450-L454 VanDerWaalsContact O-CB 3.24Å; M450-L454 WeakPolarHBondContact O-CB 3.41Å; M450-L454 WeakPolarHBondContact O-CD1 3.35Å; M450-L454 WeakPolarHBondContact O-CG 3.35Å; M450-L454 PolarHBondContact O-N 3.4Å; M450-L454 HydrophobicContact SD-CD1 4.5Å; T451-L454 PolarHBondContact O-N 3.39Å; S452-L454 PolarHBondContact O-N 3.23Å; L454-Y508 HydrophobicContact CD2-CD2 3.88Å; L454-Y508 HydrophobicContact CD2-CG 3.91Å; L454-Y508 HydrophobicContact CG-CD2 4.39Å; L454-L512 HydrophobicContact CD2-CD1 3.75Å; L454-L512 HydrophobicContact CD2-CD2 4.35Å; L454-L512 HydrophobicContact CD2-CG 4.2Å
455I96.5Very high96.3Very high12 Ų1225.8 Ų25.86%0.06214%0.137CC..Hα-helixtrans-92-11.8177.873.7-177.8000112.3K418 Y421 I435 T451 E457 I459K418-I455 HydrophobicContact CB-CG2 4.31Å; K418-I455 HydrophobicContact CG-CG2 4.45Å; Y421-I455 HydrophobicContact CD1-CB 3.61Å; Y421-I455 HydrophobicContact CD1-CG2 3.73Å; Y421-I455 HydrophobicContact CD2-CB 4.45Å; Y421-I455 HydrophobicContact CD2-CD1 4.34Å; Y421-I455 HydrophobicContact CE1-CB 3.8Å; Y421-I455 HydrophobicContact CE1-CG2 4.43Å; Y421-I455 HydrophobicContact CG-CB 3.95Å; Y421-I455 HydrophobicContact CG-CG2 3.79Å; I435-I455 HydrophobicContact CD1-CD1 3.56Å; T451-I455 HydrophobicContact CG2-CD1 4.37Å; T451-I455 VanDerWaalsContact O-CG1 3.31Å; T451-I455 WeakPolarHBondContact O-CG1 3.48Å; T451-I455 PolarHBondContact O-N 2.79Å; I455-E457 HydrophobicContact CD1-CB 4.03Å; I455-E457 HydrophobicContact CG1-CB 3.88Å; I455-E457 HydrophobicContact CG1-CG 4.24Å; I455-I459 HydrophobicContact CD1-CD1 3.89Å; I455-I459 HydrophobicContact CD1-CG1 4.22Å
456N96.5Very high96Very high111 Ų11127.1 Ų27.159%0.59414%0.142SC*.THydrogen-bonded Turntrans56.246-177.4-170.364.2000113.1S452 D453S452-N456 VanDerWaalsContact O-CA 3.3Å; S452-N456 WeakPolarHBondContact O-CA 3.43Å; S452-N456 PolarHBondContact O-N 3.21Å; D453-N456 PolarHBondContact O-N 3.4Å
457E97.3Very high95.9Very high68 Ų6826.2 Ų26.232%0.31814%0.138SC..SBendtrans-137155.7177.7-64.4-71.5-177.400110.8Y421 I435 S452 I455Y421-E457 HydrophobicContact CE2-CG 4.26Å; Y421-E457 VanDerWaalsContact OH-CG 3.25Å; Y421-E457 WeakPolarHBondContact OH-CG 3.24Å; Y421-E457 PolarHBondContact OH-OE1 3.46Å; I435-E457 HydrophobicContact CD1-CB 3.59Å; I435-E457 HydrophobicContact CD1-CG 3.88Å; I435-E457 HydrophobicContact CG1-CB 4.44Å; S452-E457 WeakPolarHBondContact CB-O 3.43Å; S452-E457 PolarHBondContact O-N 2.8Å; S452-E457 PolarHBondContact OG-O 2.68Å; I455-E457 HydrophobicContact CD1-CB 4.03Å; I455-E457 HydrophobicContact CG1-CB 3.88Å; I455-E457 HydrophobicContact CG1-CG 4.24Å
458N98.2Very high95.8Very high81 Ų8126.8 Ų26.843%0.43314%0.143SC..  trans-74.2136.7172.2-63-24.3000110.2V498 F499 P501N458-V498 HydrophobicContact CB-CG1 4.14Å; N458-F499 CarbonylContact C-O 3.54Å; N458-F499 VanDerWaalsContact CA-O 3.28Å; N458-F499 WeakPolarHBondContact CA-O 3.36Å; N458-P501 WeakPolarHBondContact OD1-CD 3.35Å
459I98.4Very high95.8Very high0 Ų026.9 Ų26.90%014%0.143CC..EExtended strand (participates in β ladder)trans-120.8121.3175.2-50.3175.6000109.6I435 A437 M448 T451 I455 V498 F499I435-I459 HydrophobicContact CB-CG1 4.43Å; I435-I459 HydrophobicContact CG2-CG1 4.24Å; I435-I459 HydrophobicContact CG2-CG2 4.23Å; I435-I459 WeakPolarHBondContact O-CA 3.45Å; A437-I459 HydrophobicContact CB-CG2 3.66Å; M448-I459 HydrophobicContact CE-CB 4.06Å; M448-I459 HydrophobicContact CE-CD1 4.36Å; M448-I459 HydrophobicContact CE-CG2 3.34Å; T451-I459 HydrophobicContact CG2-CD1 3.69Å; I455-I459 HydrophobicContact CD1-CD1 3.89Å; I455-I459 HydrophobicContact CD1-CG1 4.22Å; I459-V498 WeakPolarHBondContact O-CA 3.37Å; I459-F499 PolarHBondContact N-O 3.23Å; I459-F499 PolarHBondContact O-N 3.06Å
460D98.1Very high95.7Very high28 Ų2826.3 Ų26.315%0.1514%0.141CC..EExtended strand (participates in β ladder)trans-98.9113.1-177.91741.9000110.4I435 R436 A437 R493 S495 V498I435-D460 PolarHBondContact O-N 2.94Å; R436-D460 WeakPolarHBondContact CA-O 3.2Å; R436-D460 HydrophobicContact CG-CB 4.27Å; R436-D460 IonicContact NE-OD2 3.61Å; R436-D460 IonicContact NH2-OD2 3.8Å; A437-D460 PolarHBondContact N-O 3.45Å; D460-R493 PolarHBondContact O-NH2 3.39Å; D460-R493 IonicContact OD1-CZ 3.9Å; D460-R493 IonicContact OD1-NH1 3.82Å; D460-R493 PolarHBondContact OD1-NH1 2.89Å; D460-R493 IonicContact OD1-NH2 3.8Å; D460-R493 PolarHBondContact OD1-NH2 3.16Å; D460-R493 IonicContact OD2-CZ 3.79Å; D460-R493 IonicContact OD2-NH1 3.95Å; D460-R493 PolarHBondContact OD2-NH1 3.39Å; D460-R493 IonicContact OD2-NH2 3.85Å; D460-S495 VanDerWaalsContact OD1-CB 3.31Å; D460-S495 WeakPolarHBondContact OD1-CB 3.47Å; D460-S495 PolarHBondContact OD1-OG 3.3Å; D460-V498 HydrophobicContact CB-CG2 4.27Å
461R97.1Very high95.7Very high22 Ų2226 Ų268%0.08314%0.14CC..EExtended strand (participates in β ladder)trans-97128.5176-173.4177.175.2-172.36110.3C442 K443 E496 V497 F499C442-R461 WeakPolarHBondContact O-CD 3.3Å; C442-R461 PolarHBondContact O-NH1 3.13Å; K443-R461 VanDerWaalsContact C-NH1 3.33Å; K443-R461 PolarHBondContact O-NH1 3.37Å; R461-E496 IonicContact CZ-OE2 2.67Å; R461-E496 IonicContact NE-OE2 2.68Å; R461-E496 PolarHBondContact NE-OE2 3Å; R461-E496 IonicContact NH2-OE1 3.22Å; R461-E496 PolarHBondContact NH2-OE1 3.12Å; R461-E496 VanDerWaalsContact NH2-OE1 3.13Å; R461-E496 IonicContact NH2-OE2 3.57Å; R461-E496 PolarHBondContact NH2-OE2 2.99Å; R461-E496 PolarHBondContact O-N 3.07Å; R461-V497 PolarHBondContact N-O 3.24Å; R461-V497 PolarHBondContact O-N 2.96Å; R461-F499 HydrophobicContact CB-CE2 3.96Å
462P95.5Very high95.8Very high2 Ų226 Ų261%0.01314%0.139CC..EExtended strand (participates in β ladder)trans-76.6164.317834.4-37.6000112.9E283 A437 D464 M467 Q494E283-P462 WeakPolarHBondContact OE1-CD 3.4Å; E283-P462 WeakPolarHBondContact OE1-CG 3.36Å; A437-P462 WeakPolarHBondContact O-CD 3.38Å; P462-D464 WeakPolarHBondContact CB-O 3.19Å; P462-D464 WeakPolarHBondContact CG-O 3.18Å; P462-M467 HydrophobicContact CB-CE 4.12Å; P462-M467 HydrophobicContact CB-SD 4.17Å; P462-M467 HydrophobicContact CG-CE 4.22Å; P462-M467 HydrophobicContact CG-CG 4.06Å; P462-M467 HydrophobicContact CG-SD 3.98Å; P462-Q494 VanDerWaalsContact CA-O 3.31Å; P462-Q494 WeakPolarHBondContact CA-O 3.44Å
463V91.8Very high95.8Very high85 Ų8526 Ų2652%0.51514%0.139SC..SBendtrans-66.6-42.1173.9175.60000111.8Q494 E496V463-Q494 HydrophobicContact CB-CB 4.41Å; V463-Q494 HydrophobicContact CG2-CB 3.89Å; V463-Q494 PolarHBondContact N-O 2.85Å; V463-Q494 VanDerWaalsContact N-O 3.15Å; V463-E496 HydrophobicContact CG2-CB 3.92Å; V463-E496 HydrophobicContact CG2-CG 4.44Å
464D87.2Confident95.8Very high48 Ų4826 Ų2626%0.25714%0.14SC..  trans-100127.7170.8-170.8-11.1000108.7H34 V42 P462 D466H34-D464 IonicContact CE1-OD2 2.71Å; H34-D464 IonicContact ND1-OD2 2.71Å; V42-D464 WeakPolarHBondContact CG2-OD2 3.46Å; P462-D464 WeakPolarHBondContact CB-O 3.19Å; P462-D464 WeakPolarHBondContact CG-O 3.18Å; D464-D466 PolarHBondContact OD1-N 3.46Å
465V87.3Confident95.9Very high12 Ų1225.9 Ų25.97%0.07314%0.139CC..  trans-95.1-4.2-178.1-58.80000113G439 C442 K443 M467G439-V465 PolarHBondContact N-O 2.89Å; C442-V465 VanDerWaalsContact SG-CG1 3.57Å; K443-V465 VanDerWaalsContact CE-CG2 3.44Å; K443-V465 HydrophobicContact CG-CG1 4.33Å; V465-M467 PolarHBondContact O-N 3.42Å; V465-M467 VanDerWaalsContact O-N 3.14Å
466D91.1Very high96Very high35 Ų3525.3 Ų25.319%0.18714%0.136CC..  trans-88.955.3-179.9-70.1-28000111.7R32 H34 D464 S468 C469 L470R32-D466 IonicContact CZ-OD1 3.07Å; R32-D466 IonicContact NH1-OD1 2.71Å; R32-D466 PolarHBondContact NH1-OD1 3.07Å; R32-D466 IonicContact NH1-OD2 3.01Å; H34-D466 IonicContact CE1-OD2 3.08Å; H34-D466 IonicContact NE2-OD2 3.22Å; D464-D466 PolarHBondContact OD1-N 3.46Å; D466-S468 PolarHBondContact O-N 2.97Å; D466-C469 WeakPolarHBondContact O-CB 3.35Å; D466-C469 PolarHBondContact O-N 3.22Å; D466-L470 PolarHBondContact O-N 3.48Å
467M95.3Very high96Very high3 Ų320 Ų202%0.01511%0.108CC..Hα-helixtrans-66.9-21.2-170.6-60.5-56.2-89.100113.9A279 G282 E283 D438 P462 V465 L470 G471 R493A279-M467 HydrophobicContact CB-CB 4.41Å; G282-M467 VanDerWaalsContact C-CE 3.44Å; G282-M467 WeakPolarHBondContact O-CE 3.49Å; E283-M467 HydrophobicContact CB-CE 4.33Å; E283-M467 VanDerWaalsContact CD-CE 3.46Å; E283-M467 HydrophobicContact CG-CB 4Å; E283-M467 HydrophobicContact CG-CE 3.85Å; E283-M467 HydrophobicContact CG-CG 3.87Å; E283-M467 WeakPolarHBondContact OE2-CE 3.25Å; D438-M467 HydrophobicContact CB-CB 4.07Å; D438-M467 HydrophobicContact CB-CG 3.63Å; P462-M467 HydrophobicContact CB-CE 4.12Å; P462-M467 HydrophobicContact CB-SD 4.17Å; P462-M467 HydrophobicContact CG-CE 4.22Å; P462-M467 HydrophobicContact CG-CG 4.06Å; P462-M467 HydrophobicContact CG-SD 3.98Å; V465-M467 PolarHBondContact O-N 3.42Å; V465-M467 VanDerWaalsContact O-N 3.14Å; M467-L470 HydrophobicContact CE-CD2 4.01Å; M467-L470 PolarHBondContact O-N 2.88Å; M467-L470 HydrophobicContact SD-CD2 4.05Å; M467-G471 PolarHBondContact O-N 2.9Å; M467-R493 HydrophobicContact CE-CG 4.18Å
468S96Very high96Very high13 Ų1318.6 Ų18.69%0.09110%0.102CC..Hα-helixtrans-63.6-38.7170.5-56.50000112.6D25 D275 S278 D466 A472D25-S468 VanDerWaalsContact CG-CB 3.48Å; D25-S468 WeakPolarHBondContact OD2-CB 3.21Å; D275-S468 PolarHBondContact O-OG 2.69Å; S278-S468 PolarHBondContact OG-O 3.04Å; D466-S468 PolarHBondContact O-N 2.97Å; S468-A472 PolarHBondContact O-N 3.27Å
469C97Very high96Very high1 Ų117.1 Ų17.11%0.00710%0.101CC..Hα-helixtrans-68.1-45.2175.1-76.10000110.4G23 D25 H34 D466 G471 A472 A473G23-C469 WeakPolarHBondContact CA-O 3.34Å; D25-C469 WeakPolarHBondContact CB-SG 3.37Å; H34-C469 HydrophobicContact CB-CB 4.41Å; D466-C469 WeakPolarHBondContact O-CB 3.35Å; D466-C469 PolarHBondContact O-N 3.22Å; C469-G471 VanDerWaalsContact C-N 3.33Å; C469-G471 PolarHBondContact O-N 3.35Å; C469-A472 PolarHBondContact O-N 2.89Å; C469-A473 WeakPolarHBondContact O-CB 3.36Å; C469-A473 PolarHBondContact O-N 2.92Å
470L97.5Very high95.9Very high19 Ų1919.7 Ų19.710%0.09912%0.117CC..Hα-helixtrans-64.5-37.6179.4-179.259.6000112.1Y36 A40 D466 M467 A473 S474Y36-L470 HydrophobicContact CD1-CD1 4.1Å; Y36-L470 HydrophobicContact CE1-CB 4.46Å; Y36-L470 HydrophobicContact CE1-CD1 3.8Å; Y36-L470 PolarHBondContact OH-N 3.4Å; A40-L470 HydrophobicContact CB-CD1 4.19Å; D466-L470 PolarHBondContact O-N 3.48Å; M467-L470 HydrophobicContact CE-CD2 4.01Å; M467-L470 PolarHBondContact O-N 2.88Å; M467-L470 HydrophobicContact SD-CD2 4.05Å; L470-A473 PolarHBondContact O-N 3.39Å; L470-S474 WeakPolarHBondContact O-CB 3.28Å; L470-S474 PolarHBondContact O-N 2.85Å; L470-S474 PolarHBondContact O-OG 2.89Å
471G98.3Very high95.8Very high0 Ų020.7 Ų20.70%013%0.133CC..Hα-helixtrans-62.3-46.3175.900000113S278 M467 C469 S474 L475S278-G471 WeakPolarHBondContact O-CA 3.4Å; M467-G471 PolarHBondContact O-N 2.9Å; C469-G471 VanDerWaalsContact C-N 3.33Å; C469-G471 PolarHBondContact O-N 3.35Å; G471-S474 WeakPolarHBondContact O-CB 3.18Å; G471-S474 PolarHBondContact O-N 3.36Å; G471-L475 WeakPolarHBondContact O-CG 3.27Å; G471-L475 PolarHBondContact O-N 2.95Å
472A98.6Very high95.8Very high0 Ų020.5 Ų20.50%013%0.133CC..Hα-helixtrans-63.9-45.2177.500000110.9V273 S278 S468 C469 S474 L475 A476V273-A472 HydrophobicContact CG1-CB 4.16Å; S278-A472 PolarHBondContact OG-N 3.4Å; S468-A472 PolarHBondContact O-N 3.27Å; C469-A472 PolarHBondContact O-N 2.89Å; A472-S474 VanDerWaalsContact C-N 3.34Å; A472-S474 PolarHBondContact O-N 3.06Å; A472-L475 PolarHBondContact O-N 2.73Å; A472-A476 WeakPolarHBondContact O-CB 3.49Å; A472-A476 PolarHBondContact O-N 2.73Å
473A98.5Very high95.9Very high0 Ų020.5 Ų20.50%013%0.133CC..Hα-helixtrans-59.6-44173.100000111.5V21 Y36 C469 L470 L475 A476 G477 W483V21-A473 HydrophobicContact CG1-CB 3.99Å; V21-A473 WeakPolarHBondContact CG1-O 3.18Å; Y36-A473 HydrophobicContact CD2-CB 3.45Å; Y36-A473 VanDerWaalsContact CD2-CB 3.45Å; Y36-A473 HydrophobicContact CE2-CB 3.68Å; Y36-A473 HydrophobicContact CG-CB 4.28Å; C469-A473 WeakPolarHBondContact O-CB 3.36Å; C469-A473 PolarHBondContact O-N 2.92Å; L470-A473 PolarHBondContact O-N 3.39Å; A473-L475 PolarHBondContact O-N 3.4Å; A473-A476 PolarHBondContact O-N 3Å; A473-G477 PolarHBondContact O-N 3.39Å; A473-W483 WeakPolarHBondContact O-CZ3 3.31Å
474S98.4Very high96.1Very high3 Ų321.1 Ų21.12%0.02114%0.137CC..Hα-helixtrans-61.9-45.2-179.8-65.20000111.9L470 G471 A472 G477 L478L470-S474 WeakPolarHBondContact O-CB 3.28Å; L470-S474 PolarHBondContact O-N 2.85Å; L470-S474 PolarHBondContact O-OG 2.89Å; G471-S474 WeakPolarHBondContact O-CB 3.18Å; G471-S474 PolarHBondContact O-N 3.36Å; A472-S474 VanDerWaalsContact C-N 3.34Å; A472-S474 PolarHBondContact O-N 3.06Å; S474-G477 PolarHBondContact O-N 3.12Å; S474-L478 WeakPolarHBondContact O-CB 3.34Å; S474-L478 VanDerWaalsContact O-CG 3.27Å; S474-L478 WeakPolarHBondContact O-CG 3.44Å; S474-L478 PolarHBondContact O-N 2.88Å
475L98.6Very high96.6Very high1 Ų122.2 Ų22.21%0.00514%0.143CC..Hα-helixtrans-62-42.6175.7-74.6161.3000112T251 S252 A271 V273 F281 I324 G471 A472 A473 A479T251-L475 HydrophobicContact CG2-CD1 3.82Å; T251-L475 HydrophobicContact CG2-CD2 4.2Å; S252-L475 PolarHBondContact OG-O 2.71Å; S252-L475 VanDerWaalsContact OG-O 3.07Å; A271-L475 HydrophobicContact CB-CB 3.61Å; V273-L475 HydrophobicContact CB-CD1 3.82Å; V273-L475 HydrophobicContact CG1-CD1 3.81Å; V273-L475 HydrophobicContact CG2-CD1 3.88Å; F281-L475 HydrophobicContact CD1-CD2 4.2Å; F281-L475 HydrophobicContact CD1-CG 3.86Å; F281-L475 HydrophobicContact CD2-CD2 3.82Å; F281-L475 HydrophobicContact CD2-CG 4.22Å; F281-L475 HydrophobicContact CE1-CD2 4.01Å; F281-L475 HydrophobicContact CE1-CG 3.99Å; F281-L475 HydrophobicContact CE2-CD2 3.62Å; F281-L475 HydrophobicContact CE2-CG 4.34Å; F281-L475 HydrophobicContact CG-CD1 4.32Å; F281-L475 HydrophobicContact CG-CD2 4.11Å; F281-L475 HydrophobicContact CG-CG 3.98Å; F281-L475 HydrophobicContact CZ-CD2 3.72Å; F281-L475 HydrophobicContact CZ-CG 4.22Å; I324-L475 HydrophobicContact CD1-CD2 3.68Å; I324-L475 HydrophobicContact CG1-CD2 4.33Å; G471-L475 WeakPolarHBondContact O-CG 3.27Å; G471-L475 PolarHBondContact O-N 2.95Å; A472-L475 PolarHBondContact O-N 2.73Å; A473-L475 PolarHBondContact O-N 3.4Å; L475-A479 PolarHBondContact O-N 2.88Å
476A98.5Very high97.1Very high0 Ų023.4 Ų23.40%015%0.147CC..Hα-helixtrans-66-44.1175.400000111.9V21 V270 A271 A472 A473 A479 V480V21-A476 HydrophobicContact CG1-CB 3.93Å; V270-A476 HydrophobicContact CG2-CB 3.49Å; V270-A476 VanDerWaalsContact CG2-CB 3.49Å; A271-A476 HydrophobicContact CB-CB 4.18Å; A472-A476 WeakPolarHBondContact O-CB 3.49Å; A472-A476 PolarHBondContact O-N 2.73Å; A473-A476 PolarHBondContact O-N 3Å; A476-A479 VanDerWaalsContact O-CB 3.27Å; A476-A479 WeakPolarHBondContact O-CB 3.44Å; A476-A479 PolarHBondContact O-N 3.06Å; A476-A479 VanDerWaalsContact O-N 3.12Å; A476-V480 WeakPolarHBondContact O-CG2 3.5Å; A476-V480 PolarHBondContact O-N 3.04Å; A476-V480 VanDerWaalsContact O-N 3.15Å
477G97.9Very high97.4Very high0 Ų026.5 Ų26.50%016%0.161CC..Hα-helixtrans-66.6-38.8-177.800000112.3A473 S474 A479 V480 G481 F482 W483A473-G477 PolarHBondContact O-N 3.39Å; S474-G477 PolarHBondContact O-N 3.12Å; G477-A479 VanDerWaalsContact C-N 3.34Å; G477-V480 PolarHBondContact O-N 3.21Å; G477-G481 CarbonylContact O-C 3.52Å; G477-G481 PolarHBondContact O-N 3.44Å; G477-G481 VanDerWaalsContact O-N 3.14Å; G477-F482 WeakPolarHBondContact O-CA 3.33Å; G477-F482 PolarHBondContact O-N 3.19Å; G477-W483 PolarHBondContact O-N 2.88Å; G477-W483 VanDerWaalsContact O-N 3.13Å
478L97.7Very high97.5Very high38 Ų3828.3 Ų28.320%0.19917%0.169CC..Hα-helixtrans-62.2-41.6170.1-69.9174.1000111.6F281 S474 V480 G481 W483 K486 L489F281-L478 HydrophobicContact CE1-CD1 3.91Å; F281-L478 HydrophobicContact CZ-CD1 3.64Å; S474-L478 WeakPolarHBondContact O-CB 3.34Å; S474-L478 VanDerWaalsContact O-CG 3.27Å; S474-L478 WeakPolarHBondContact O-CG 3.44Å; S474-L478 PolarHBondContact O-N 2.88Å; L478-V480 VanDerWaalsContact C-N 3.3Å; L478-V480 PolarHBondContact O-N 2.76Å; L478-G481 PolarHBondContact O-N 2.94Å; L478-W483 HydrophobicContact CD2-CB 4.14Å; L478-K486 HydrophobicContact CD1-CG 4.48Å; L478-L489 HydrophobicContact CD1-CD1 3.78Å; L478-L489 HydrophobicContact CD2-CD1 4.25Å; L478-L489 HydrophobicContact CG-CD1 4.06Å
479A96.9Very high97.6Very high49 Ų4928 Ų2841%0.40517%0.166SC..Hα-helixtrans-60.4-38.1-179.100000113S252 V270 L475 A476 G477S252-A479 VanDerWaalsContact OG-CB 3.31Å; S252-A479 WeakPolarHBondContact OG-CB 3.31Å; V270-A479 HydrophobicContact CB-CB 3.85Å; V270-A479 HydrophobicContact CG2-CB 4.28Å; L475-A479 PolarHBondContact O-N 2.88Å; A476-A479 VanDerWaalsContact O-CB 3.27Å; A476-A479 WeakPolarHBondContact O-CB 3.44Å; A476-A479 PolarHBondContact O-N 3.06Å; A476-A479 VanDerWaalsContact O-N 3.12Å; G477-A479 VanDerWaalsContact C-N 3.34Å
480V96.8Very high97.6Very high54 Ų5430.6 Ų30.633%0.32718%0.178SC..THydrogen-bonded Turntrans-99.26.3-176.7-56.20000113.4V90 V270 A476 G477 L478 F482V90-V480 HydrophobicContact CG2-CG2 4.1Å; V270-V480 HydrophobicContact CB-CG1 4.23Å; V270-V480 HydrophobicContact CG1-CG1 3.83Å; V270-V480 HydrophobicContact CG2-CG1 3.92Å; A476-V480 WeakPolarHBondContact O-CG2 3.5Å; A476-V480 PolarHBondContact O-N 3.04Å; A476-V480 VanDerWaalsContact O-N 3.15Å; G477-V480 PolarHBondContact O-N 3.21Å; L478-V480 VanDerWaalsContact C-N 3.3Å; L478-V480 PolarHBondContact O-N 2.76Å; V480-F482 HydrophobicContact CG2-CB 3.82Å; V480-F482 PolarHBondContact O-N 2.71Å
481G96Very high97.6Very high49 Ų4938 Ų3851%0.50521%0.209SC..THydrogen-bonded Turntrans68.916.9-176.900000114.4R38 G477 L478R38-G481 PolarHBondContact NH1-O 3.26Å; G477-G481 CarbonylContact O-C 3.52Å; G477-G481 PolarHBondContact O-N 3.44Å; G477-G481 VanDerWaalsContact O-N 3.14Å; L478-G481 PolarHBondContact O-N 2.94Å
482F96.9Very high97.5Very high19 Ų1940 Ų408%0.08322%0.219CC..SBendtrans-71.5-18.1170.2-169.8-97.8000113G19 V21 D37 R38 V90 G477 V480G19-F482 WeakPolarHBondContact O-CE2 3.26Å; G19-F482 WeakPolarHBondContact O-CZ 3.38Å; V21-F482 HydrophobicContact CB-CD1 4.3Å; V21-F482 HydrophobicContact CG2-CB 3.74Å; V21-F482 HydrophobicContact CG2-CD1 3.37Å; V21-F482 HydrophobicContact CG2-CD2 4.06Å; V21-F482 HydrophobicContact CG2-CE1 3.92Å; V21-F482 HydrophobicContact CG2-CG 3.43Å; V21-F482 VanDerWaalsContact CG2-CG 3.43Å; V21-F482 HydrophobicContact CG2-CZ 4.46Å; D37-F482 WeakPolarHBondContact O-CE1 3.26Å; R38-F482 HydrophobicContact CB-CZ 4.09Å; R38-F482 WeakPolarHBondContact CD-O 3.11Å; R38-F482 PolarHBondContact NE-O 3.4Å; R38-F482 VanDerWaalsContact NE-O 3.11Å; R38-F482 PolarHBondContact NH1-O 3.05Å; V90-F482 HydrophobicContact CG2-CB 4.27Å; V90-F482 HydrophobicContact CG2-CD2 3.76Å; V90-F482 HydrophobicContact CG2-CE2 4.44Å; V90-F482 HydrophobicContact CG2-CG 4.22Å; G477-F482 WeakPolarHBondContact O-CA 3.33Å; G477-F482 PolarHBondContact O-N 3.19Å; V480-F482 HydrophobicContact CG2-CB 3.82Å; V480-F482 PolarHBondContact O-N 2.71Å
483W97.6Very high97.3Very high1 Ų141 Ų410%0.00422%0.223CC..SBendtrans-133.9151.2157-68-63.7000108R38 A40 A473 G477 L478 E488 L489 L492R38-W483 PolarHBondContact O-NE1 3.3Å; A40-W483 HydrophobicContact CB-CZ2 3.91Å; A473-W483 WeakPolarHBondContact O-CZ3 3.31Å; G477-W483 PolarHBondContact O-N 2.88Å; G477-W483 VanDerWaalsContact O-N 3.13Å; L478-W483 HydrophobicContact CD2-CB 4.14Å; W483-E488 WeakPolarHBondContact CA-OE2 3.26Å; W483-E488 WeakPolarHBondContact CB-OE2 3.32Å; W483-L489 HydrophobicContact CB-CD2 4.01Å; W483-L489 HydrophobicContact CD2-CD2 3.64Å; W483-L489 HydrophobicContact CE3-CD2 3.74Å; W483-L489 HydrophobicContact CG-CD2 3.76Å; W483-L489 HydrophobicContact CZ3-CD2 4.47Å; W483-L492 HydrophobicContact CG-CD1 4.45Å
484T96.6Very high97Very high99 Ų9946.8 Ų46.861%0.60725%0.25SS*.  trans-79.7-43.7-172.859.60000111.9E488T484-E488 PolarHBondContact N-OE2 2.92Å; T484-E488 PolarHBondContact OG1-OE2 2.98Å
485D97.1Very high96.9Very high71 Ų7149.3 Ų49.338%0.3827%0.268SS..  trans-165.3176-171.556.963.6000112.2E487 E488 L489D485-E487 VanDerWaalsContact C-N 3.26Å; D485-E487 PolarHBondContact O-N 2.82Å; D485-E487 VanDerWaalsContact OD1-CA 3.3Å; D485-E487 WeakPolarHBondContact OD1-CA 3.44Å; D485-E487 VanDerWaalsContact OD1-CB 3.28Å; D485-E487 WeakPolarHBondContact OD1-CB 3.3Å; D485-E487 PolarHBondContact OD1-N 2.96Å; D485-E488 PolarHBondContact O-N 3.3Å; D485-E488 PolarHBondContact OD1-N 2.99Å; D485-L489 PolarHBondContact O-N 3.15Å
486K97.6Very high96.8Very high36 Ų3654 Ų5416%0.15729%0.289CS..Hα-helixtrans-66.7-22.9178.9-65.4-176-170.3-173.50113.7F286 E327 L478 K490F286-K486 HydrophobicContact CB-CD 4.33Å; F286-K486 HydrophobicContact CD1-CD 3.99Å; F286-K486 HydrophobicContact CD2-CB 3.75Å; F286-K486 HydrophobicContact CD2-CD 4.03Å; F286-K486 HydrophobicContact CD2-CG 4.19Å; F286-K486 HydrophobicContact CE1-CD 4.26Å; F286-K486 HydrophobicContact CE1-CG 4.47Å; F286-K486 HydrophobicContact CE2-CB 3.65Å; F286-K486 HydrophobicContact CE2-CD 4.3Å; F286-K486 HydrophobicContact CE2-CG 4.03Å; F286-K486 HydrophobicContact CG-CB 4.45Å; F286-K486 HydrophobicContact CG-CD 3.86Å; F286-K486 HydrophobicContact CG-CG 4.48Å; F286-K486 HydrophobicContact CZ-CB 4.27Å; F286-K486 HydrophobicContact CZ-CD 4.4Å; F286-K486 HydrophobicContact CZ-CG 4.17Å; E327-K486 IonicContact OE1-NZ 2.72Å; E327-K486 PolarHBondContact OE1-NZ 2.96Å; E327-K486 WeakPolarHBondContact OE2-CE 3.42Å; E327-K486 IonicContact OE2-NZ 2.87Å; E327-K486 PolarHBondContact OE2-NZ 2.99Å; L478-K486 HydrophobicContact CD1-CG 4.48Å; K486-K490 WeakPolarHBondContact O-CG 3.44Å; K486-K490 PolarHBondContact O-N 3.27Å; K486-K490 VanDerWaalsContact O-N 3.09Å
487E97.9Very high96.8Very high101 Ų10156.5 Ų56.547%0.47231%0.305SS..Hα-helixtrans-76.5-33.9176.8-62.4-57.9132.100111.3D485 K490 K491D485-E487 VanDerWaalsContact C-N 3.26Å; D485-E487 PolarHBondContact O-N 2.82Å; D485-E487 VanDerWaalsContact OD1-CA 3.3Å; D485-E487 WeakPolarHBondContact OD1-CA 3.44Å; D485-E487 VanDerWaalsContact OD1-CB 3.28Å; D485-E487 WeakPolarHBondContact OD1-CB 3.3Å; D485-E487 PolarHBondContact OD1-N 2.96Å; E487-K490 WeakPolarHBondContact OE1-CE 3.34Å; E487-K490 IonicContact OE1-NZ 3.09Å; E487-K490 PolarHBondContact OE1-NZ 2.79Å; E487-K490 IonicContact OE2-NZ 3.05Å; E487-K491 WeakPolarHBondContact O-CG 3.18Å; E487-K491 PolarHBondContact O-N 3.3Å
488E97.9Very high96.8Very high41 Ų4159.7 Ų59.719%0.19232%0.324CS..Hα-helixtrans-59.3-49.7167.8-169.5-179.2-167.700110.1R38 W483 T484 D485 K490 K491 L492R38-E488 IonicContact CZ-OE1 2.76Å; R38-E488 IonicContact NE-OE1 2.96Å; R38-E488 PolarHBondContact NE-OE1 3.15Å; R38-E488 IonicContact NH2-OE1 3.13Å; R38-E488 PolarHBondContact NH2-OE1 3.38Å; R38-E488 IonicContact NH2-OE2 2.61Å; R38-E488 PolarHBondContact NH2-OE2 3.13Å; R38-E488 VanDerWaalsContact NH2-OE2 3.08Å; W483-E488 WeakPolarHBondContact CA-OE2 3.26Å; W483-E488 WeakPolarHBondContact CB-OE2 3.32Å; T484-E488 PolarHBondContact N-OE2 2.92Å; T484-E488 PolarHBondContact OG1-OE2 2.98Å; D485-E488 PolarHBondContact O-N 3.3Å; D485-E488 PolarHBondContact OD1-N 2.99Å; E488-K490 PolarHBondContact O-N 3.27Å; E488-K491 WeakPolarHBondContact O-CB 3.47Å; E488-K491 PolarHBondContact O-N 3.27Å; E488-L492 HydrophobicContact CG-CD1 4.28Å; E488-L492 WeakPolarHBondContact O-CG 3.48Å; E488-L492 PolarHBondContact O-N 3.44Å; E488-L492 VanDerWaalsContact O-N 3.17Å
489L97.6Very high96.8Very high6 Ų658.7 Ų58.73%0.03132%0.318CS..Hα-helixtrans-58.7-42.5179.6-63.6177.8000113.1F281 F286 L478 W483 D485 K491 L492 R493F281-L489 HydrophobicContact CE1-CD1 3.82Å; F286-L489 HydrophobicContact CE2-CB 4.49Å; F286-L489 HydrophobicContact CZ-CD1 4.23Å; L478-L489 HydrophobicContact CD1-CD1 3.78Å; L478-L489 HydrophobicContact CD2-CD1 4.25Å; L478-L489 HydrophobicContact CG-CD1 4.06Å; W483-L489 HydrophobicContact CB-CD2 4.01Å; W483-L489 HydrophobicContact CD2-CD2 3.64Å; W483-L489 HydrophobicContact CE3-CD2 3.74Å; W483-L489 HydrophobicContact CG-CD2 3.76Å; W483-L489 HydrophobicContact CZ3-CD2 4.47Å; D485-L489 PolarHBondContact O-N 3.15Å; L489-K491 VanDerWaalsContact C-N 3.25Å; L489-K491 PolarHBondContact O-N 2.9Å; L489-L492 PolarHBondContact O-N 2.88Å; L489-L492 VanDerWaalsContact O-N 3.07Å; L489-R493 PolarHBondContact O-N 3.01Å
490K96.8Very high96.9Very high56 Ų5662.5 Ų62.524%0.24333%0.325CS..Hα-helixtrans-58.1-36.6175.9-76.8176-169.2173.70112.9C284 F286 K486 E487 E488 L492C284-K490 HydrophobicContact CB-CG 3.97Å; F286-K490 HydrophobicContact CD2-CG 4.19Å; F286-K490 HydrophobicContact CE2-CG 4.15Å; K486-K490 WeakPolarHBondContact O-CG 3.44Å; K486-K490 PolarHBondContact O-N 3.27Å; K486-K490 VanDerWaalsContact O-N 3.09Å; E487-K490 WeakPolarHBondContact OE1-CE 3.34Å; E487-K490 IonicContact OE1-NZ 3.09Å; E487-K490 PolarHBondContact OE1-NZ 2.79Å; E487-K490 IonicContact OE2-NZ 3.05Å; E488-K490 PolarHBondContact O-N 3.27Å; K490-L492 VanDerWaalsContact C-N 3.33Å
491K96.6Very high96.9Very high175 Ų17562 Ų6276%0.76132%0.323SS*.Hα-helixtrans-73.7-27.9178.2-66.7169.1-173.5171.50112.1E487 E488 L489E487-K491 WeakPolarHBondContact O-CG 3.18Å; E487-K491 PolarHBondContact O-N 3.3Å; E488-K491 WeakPolarHBondContact O-CB 3.47Å; E488-K491 PolarHBondContact O-N 3.27Å; L489-K491 VanDerWaalsContact C-N 3.25Å; L489-K491 PolarHBondContact O-N 2.9Å
492L96.1Very high96.9Very high40 Ų4066.6 Ų66.621%0.20933%0.332CS..Hα-helixtrans-80.4-29.4178.4-65.2176.6000112.7A40 W483 E488 L489 K490 Q494A40-L492 HydrophobicContact CB-CB 3.97Å; A40-L492 HydrophobicContact CB-CD1 4.1Å; W483-L492 HydrophobicContact CG-CD1 4.45Å; E488-L492 HydrophobicContact CG-CD1 4.28Å; E488-L492 WeakPolarHBondContact O-CG 3.48Å; E488-L492 PolarHBondContact O-N 3.44Å; E488-L492 VanDerWaalsContact O-N 3.17Å; L489-L492 PolarHBondContact O-N 2.88Å; L489-L492 VanDerWaalsContact O-N 3.07Å; K490-L492 VanDerWaalsContact C-N 3.33Å; L492-Q494 WeakPolarHBondContact O-CG 3.41Å; L492-Q494 PolarHBondContact O-N 2.92Å
493R95Very high96.6Very high23 Ų2370.4 Ų70.49%0.08735%0.348CS..PPolyproline II helixtrans-65117.3176.8-171.7-145.6174-106.94.8111E283 D460 M467 L489E283-R493 IonicContact OE1-NH2 2.73Å; E283-R493 IonicContact OE2-CZ 2.86Å; E283-R493 IonicContact OE2-NE 3.57Å; E283-R493 PolarHBondContact OE2-NE 3.25Å; E283-R493 IonicContact OE2-NH2 3.04Å; E283-R493 PolarHBondContact OE2-NH2 3.25Å; D460-R493 PolarHBondContact O-NH2 3.39Å; D460-R493 IonicContact OD1-CZ 3.9Å; D460-R493 IonicContact OD1-NH1 3.82Å; D460-R493 PolarHBondContact OD1-NH1 2.89Å; D460-R493 IonicContact OD1-NH2 3.8Å; D460-R493 PolarHBondContact OD1-NH2 3.16Å; D460-R493 IonicContact OD2-CZ 3.79Å; D460-R493 IonicContact OD2-NH1 3.95Å; D460-R493 PolarHBondContact OD2-NH1 3.39Å; D460-R493 IonicContact OD2-NH2 3.85Å; M467-R493 HydrophobicContact CE-CG 4.18Å; L489-R493 PolarHBondContact O-N 3.01Å
494Q93.5Very high96.2Very high121 Ų12177.4 Ų77.457%0.56538%0.379SS*.PPolyproline II helixtrans-97.2129.2-179.7-60.1-174.6-6.600111.7P462 V463 L492P462-Q494 VanDerWaalsContact CA-O 3.31Å; P462-Q494 WeakPolarHBondContact CA-O 3.44Å; V463-Q494 HydrophobicContact CB-CB 4.41Å; V463-Q494 HydrophobicContact CG2-CB 3.89Å; V463-Q494 PolarHBondContact N-O 2.85Å; V463-Q494 VanDerWaalsContact N-O 3.15Å; L492-Q494 WeakPolarHBondContact O-CG 3.41Å; L492-Q494 PolarHBondContact O-N 2.92Å
495S95.8Very high95.5Very high55 Ų5574.6 Ų74.639%0.38536%0.363SS..EExtended strand (participates in β ladder)trans-85.3132170.7-1740000109.6D460D460-S495 VanDerWaalsContact OD1-CB 3.31Å; D460-S495 WeakPolarHBondContact OD1-CB 3.47Å; D460-S495 PolarHBondContact OD1-OG 3.3Å
496E96.3Very high95Very high99 Ų9977.4 Ų77.446%0.46337%0.373SS..EExtended strand (participates in β ladder)trans-86.5-53.6171.8-167.8-157.517300109.9R461 V463R461-E496 IonicContact CZ-OE2 2.67Å; R461-E496 IonicContact NE-OE2 2.68Å; R461-E496 PolarHBondContact NE-OE2 3Å; R461-E496 IonicContact NH2-OE1 3.22Å; R461-E496 PolarHBondContact NH2-OE1 3.12Å; R461-E496 VanDerWaalsContact NH2-OE1 3.13Å; R461-E496 IonicContact NH2-OE2 3.57Å; R461-E496 PolarHBondContact NH2-OE2 2.99Å; R461-E496 PolarHBondContact O-N 3.07Å; V463-E496 HydrophobicContact CG2-CB 3.92Å; V463-E496 HydrophobicContact CG2-CG 4.44Å
497V97.3Very high94.6Very high53 Ų5381.1 Ų81.132%0.32139%0.391SS..EExtended strand (participates in β ladder)trans-146.1134.4-175.2-178.90000109.9R461 F499R461-V497 PolarHBondContact N-O 3.24Å; R461-V497 PolarHBondContact O-N 2.96Å; V497-F499 HydrophobicContact CB-CE2 3.96Å; V497-F499 HydrophobicContact CB-CZ 4.2Å; V497-F499 HydrophobicContact CG1-CD1 4.37Å; V497-F499 HydrophobicContact CG1-CD2 4.07Å; V497-F499 HydrophobicContact CG1-CE1 4.11Å; V497-F499 HydrophobicContact CG1-CE2 3.78Å; V497-F499 HydrophobicContact CG1-CG 4.35Å; V497-F499 HydrophobicContact CG1-CZ 3.8Å
498V98.3Very high94.3Very high67 Ų6777.5 Ų77.541%0.40637%0.374SS..EExtended strand (participates in β ladder)trans-104108.6166.4-177.60000108.7N458 I459 D460 K500N458-V498 HydrophobicContact CB-CG1 4.14Å; I459-V498 WeakPolarHBondContact O-CA 3.37Å; D460-V498 HydrophobicContact CB-CG2 4.27Å; V498-K500 HydrophobicContact CG1-CG 4.49Å; V498-K500 PolarHBondContact O-N 3.07Å
499F98.4Very high93.9Very high18 Ų1880.7 Ų80.78%0.07939%0.388CS..EExtended strand (participates in β ladder)trans-75.6119.9173.7-61.1-91.4000108.4M448 Q449 S452 N458 I459 R461 V497M448-F499 HydrophobicContact CB-CD1 3.78Å; M448-F499 HydrophobicContact CB-CD2 3.73Å; M448-F499 HydrophobicContact CB-CE1 3.62Å; M448-F499 HydrophobicContact CB-CE2 3.59Å; M448-F499 HydrophobicContact CB-CG 3.83Å; M448-F499 HydrophobicContact CB-CZ 3.53Å; M448-F499 HydrophobicContact CE-CD2 4.27Å; M448-F499 HydrophobicContact CE-CE2 4.47Å; M448-F499 HydrophobicContact CG-CD2 4.33Å; M448-F499 HydrophobicContact CG-CE1 4.49Å; M448-F499 HydrophobicContact CG-CE2 3.85Å; M448-F499 HydrophobicContact CG-CZ 3.94Å; Q449-F499 HydrophobicContact CB-CD1 4.13Å; S452-F499 PolarHBondContact OG-O 2.98Å; N458-F499 CarbonylContact C-O 3.54Å; N458-F499 VanDerWaalsContact CA-O 3.28Å; N458-F499 WeakPolarHBondContact CA-O 3.36Å; I459-F499 PolarHBondContact N-O 3.23Å; I459-F499 PolarHBondContact O-N 3.06Å; R461-F499 HydrophobicContact CB-CE2 3.96Å; V497-F499 HydrophobicContact CB-CE2 3.96Å; V497-F499 HydrophobicContact CB-CZ 4.2Å; V497-F499 HydrophobicContact CG1-CD1 4.37Å; V497-F499 HydrophobicContact CG1-CD2 4.07Å; V497-F499 HydrophobicContact CG1-CE1 4.11Å; V497-F499 HydrophobicContact CG1-CE2 3.78Å; V497-F499 HydrophobicContact CG1-CG 4.35Å; V497-F499 HydrophobicContact CG1-CZ 3.8Å
500K98.3Very high93.7Very high128 Ų12886.2 Ų86.256%0.55742%0.416SS*.  trans-105146.6175.3-62-176.8178.6177.30108.7Q449 V498 Q502Q449-K500 PolarHBondContact NE2-O 3.19Å; V498-K500 HydrophobicContact CG1-CG 4.49Å; V498-K500 PolarHBondContact O-N 3.07Å; K500-Q502 PolarHBondContact O-N 3.41Å
501P97.4Very high93.5Very high43 Ų4385 Ų8528%0.27941%0.414SS..  trans-56.2123.3174.1-23.733.3000110.7S452 D453 N458S452-P501 WeakPolarHBondContact OG-CD 3.36Å; D453-P501 WeakPolarHBondContact OD1-CA 3.46Å; N458-P501 WeakPolarHBondContact OD1-CD 3.35Å
502Q95.6Very high93.4Very high147 Ų14777.9 Ų77.969%0.68738%0.384SS*.  trans-108.1-33.7180-71.61767.500111.8Q449 D453 K500Q449-Q502 VanDerWaalsContact CD-CD 3.48Å; D453-Q502 PolarHBondContact OD1-N 2.87Å; K500-Q502 PolarHBondContact O-N 3.41Å
503K91.6Very high93.4Very high99 Ų9980.1 Ų80.143%0.4339%0.394SS..SBendtrans-114.2151.4179.4-69.8-178.9171.3-1720111.2D453 E507 Y508D453-K503 HydrophobicContact CB-CB 4.4Å; D453-K503 PolarHBondContact OD1-N 3.12Å; K503-E507 WeakPolarHBondContact CD-OE2 3.38Å; K503-E507 WeakPolarHBondContact CG-OE2 3.22Å; K503-Y508 HydrophobicContact CB-CE2 3.91Å; K503-Y508 HydrophobicContact CD-CE2 4.4Å; K503-Y508 WeakPolarHBondContact CD-OH 3.26Å
504K87.6Confident93.4Very high147 Ų14781.4 Ų81.464%0.63940%0.402SS*.  trans-77.4145.2173.5-67.1-175.9179.6176.40109.9Q506 E507K504-Q506 PolarHBondContact O-N 2.77Å; K504-E507 PolarHBondContact N-OE1 2.87Å; K504-E507 WeakPolarHBondContact O-CB 3.25Å; K504-E507 PolarHBondContact O-N 3.32Å
505C82.4Confident93.6Very high40 Ų4075.9 Ų75.927%0.2738%0.376SS..G310 helixtrans-55-29.4177.1-176.80000113.4K418 E507 Y508K418-C505 PolarHBondContact NZ-SG 3.25Å; C505-E507 PolarHBondContact O-N 3.44Å; C505-Y508 PolarHBondContact O-N 3.43Å
506Q86.1Confident93.6Very high130 Ų13075 Ų7561%0.60737%0.372SS*.G310 helixtrans-59.9-27.7176.7-68.495.6-2.600113.2K504 Y508 E509K504-Q506 PolarHBondContact O-N 2.77Å; Q506-Y508 PolarHBondContact O-N 2.8Å; Q506-E509 VanDerWaalsContact O-CB 3.29Å; Q506-E509 WeakPolarHBondContact O-CB 3.29Å; Q506-E509 PolarHBondContact O-N 3.33Å
507E89.4Confident93.6Very high114 Ų11474.6 Ų74.653%0.53337%0.369SS..G310 helixtrans-66.6-20.7177.7-63.9175-12700112.3K503 K504 C505K503-E507 WeakPolarHBondContact CD-OE2 3.38Å; K503-E507 WeakPolarHBondContact CG-OE2 3.22Å; K504-E507 PolarHBondContact N-OE1 2.87Å; K504-E507 WeakPolarHBondContact O-CB 3.25Å; K504-E507 PolarHBondContact O-N 3.32Å; C505-E507 PolarHBondContact O-N 3.44Å
508Y92.3Very high93.6Very high26 Ų2672.2 Ų72.210%0.10236%0.355CS..G310 helixtrans-102.12.2178.4-57.3-73.4000113.3M450 D453 L454 K503 C505 Q506 M510 S511 L512M450-Y508 HydrophobicContact CE-CD1 3.55Å; M450-Y508 HydrophobicContact CE-CE1 3.71Å; M450-Y508 HydrophobicContact CE-CG 4.37Å; M450-Y508 HydrophobicContact CG-CE1 4.06Å; D453-Y508 HydrophobicContact CB-CE2 3.61Å; D453-Y508 PolarHBondContact OD2-OH 2.94Å; L454-Y508 HydrophobicContact CD2-CD2 3.88Å; L454-Y508 HydrophobicContact CD2-CG 3.91Å; L454-Y508 HydrophobicContact CG-CD2 4.39Å; K503-Y508 HydrophobicContact CB-CE2 3.91Å; K503-Y508 HydrophobicContact CD-CE2 4.4Å; K503-Y508 WeakPolarHBondContact CD-OH 3.26Å; C505-Y508 PolarHBondContact O-N 3.43Å; Q506-Y508 PolarHBondContact O-N 2.8Å; Y508-M510 PolarHBondContact O-N 3.45Å; Y508-S511 PolarHBondContact O-N 2.76Å; Y508-L512 WeakPolarHBondContact O-CB 3.47Å; Y508-L512 WeakPolarHBondContact O-CG 3.48Å; Y508-L512 PolarHBondContact O-N 3.14Å
509E90.4Very high93.5Very high107 Ų10769.1 Ų69.150%0.534%0.336SS..Hα-helixtrans-58.9-48.6-169.6-174.5166.2-15300112.1Q506 S511 L512 E513Q506-E509 VanDerWaalsContact O-CB 3.29Å; Q506-E509 WeakPolarHBondContact O-CB 3.29Å; Q506-E509 PolarHBondContact O-N 3.33Å; E509-S511 PolarHBondContact O-N 3.03Å; E509-L512 PolarHBondContact O-N 3.08Å; E509-E513 WeakPolarHBondContact O-CB 3.27Å; E509-E513 WeakPolarHBondContact O-CG 3.43Å; E509-E513 PolarHBondContact O-N 3.28Å
510M92.4Very high93.4Very high123 Ų12375.8 Ų75.861%0.60637%0.365SS*.Hα-helixtrans-60.9-44.8178.4-172.362.562.500112.3Y508 E513 N514Y508-M510 PolarHBondContact O-N 3.45Å; M510-E513 PolarHBondContact O-N 2.97Å; M510-N514 WeakPolarHBondContact O-CB 3.36Å; M510-N514 VanDerWaalsContact O-CG 3.3Å; M510-N514 PolarHBondContact O-N 3.39Å; M510-N514 PolarHBondContact O-ND2 2.84Å
511S93.8Very high93.3Very high30 Ų3077.6 Ų77.621%0.2137%0.369CS..Hα-helixtrans-65.6-42.4179.1-55.90000111.5Y508 E509 N514 W515Y508-S511 PolarHBondContact O-N 2.76Å; E509-S511 PolarHBondContact O-N 3.03Å; S511-N514 PolarHBondContact O-N 2.9Å; S511-W515 WeakPolarHBondContact O-CB 3.42Å; S511-W515 PolarHBondContact O-N 3.34Å
512L93.9Very high93.2Very high26 Ų2675.6 Ų75.614%0.13636%0.355CS..Hα-helixtrans-62.1-43.7174.7-83.9169.7000112.3F415 K418 L454 Y508 E509 W515 A516F415-L512 HydrophobicContact CB-CD2 4.22Å; F415-L512 HydrophobicContact CD1-CD2 3.22Å; F415-L512 HydrophobicContact CD1-CG 3.91Å; F415-L512 HydrophobicContact CE1-CD2 3.61Å; F415-L512 HydrophobicContact CE1-CG 3.73Å; F415-L512 HydrophobicContact CG-CD2 3.81Å; F415-L512 HydrophobicContact CZ-CD2 4.48Å; F415-L512 HydrophobicContact CZ-CG 4.45Å; K418-L512 HydrophobicContact CD-CD1 4.19Å; K418-L512 HydrophobicContact CD-CD2 4.16Å; L454-L512 HydrophobicContact CD2-CD1 3.75Å; L454-L512 HydrophobicContact CD2-CD2 4.35Å; L454-L512 HydrophobicContact CD2-CG 4.2Å; Y508-L512 WeakPolarHBondContact O-CB 3.47Å; Y508-L512 WeakPolarHBondContact O-CG 3.48Å; Y508-L512 PolarHBondContact O-N 3.14Å; E509-L512 PolarHBondContact O-N 3.08Å; L512-W515 PolarHBondContact O-N 3.44Å; L512-A516 VanDerWaalsContact O-CB 3.26Å; L512-A516 WeakPolarHBondContact O-CB 3.23Å; L512-A516 PolarHBondContact O-N 3.43Å
513E94.9Very high93.1Very high87 Ų8771 Ų7141%0.40733%0.334SS..Hα-helixtrans-63.8-45177.9-78.7-171.2-178.800111.8E509 M510 W515 A516 K517E509-E513 WeakPolarHBondContact O-CB 3.27Å; E509-E513 WeakPolarHBondContact O-CG 3.43Å; E509-E513 PolarHBondContact O-N 3.28Å; M510-E513 PolarHBondContact O-N 2.97Å; E513-W515 VanDerWaalsContact C-N 3.34Å; E513-A516 PolarHBondContact O-N 3.14Å; E513-K517 VanDerWaalsContact O-CG 3.26Å; E513-K517 WeakPolarHBondContact O-CG 3.27Å; E513-K517 PolarHBondContact O-N 3.41Å; E513-K517 IonicContact OE2-NZ 3.92Å
514N96.1Very high93Very high50 Ų5071.7 Ų71.727%0.26734%0.343SS..Hα-helixtrans-64.8-42.3177.9-72.3-23.5000111.2M510 S511 K517 A518M510-N514 WeakPolarHBondContact O-CB 3.36Å; M510-N514 VanDerWaalsContact O-CG 3.3Å; M510-N514 PolarHBondContact O-N 3.39Å; M510-N514 PolarHBondContact O-ND2 2.84Å; S511-N514 PolarHBondContact O-N 2.9Å; N514-K517 WeakPolarHBondContact O-CB 3.29Å; N514-K517 PolarHBondContact O-N 3Å; N514-K517 PolarHBondContact OD1-NZ 2.97Å; N514-A518 PolarHBondContact O-N 2.75Å
515W96.8Very high93.1Very high4 Ų472.2 Ų72.22%0.01534%0.341CS..Hα-helixtrans-64.1-43174.9179.685.2000112F373 S412 F415 R416 Q419 S511 L512 E513 K517 A518 V519F373-W515 VanDerWaalsContact O-CD1 3.29Å; F373-W515 PolarHBondContact O-NE1 2.73Å; S412-W515 PolarHBondContact OG-NE1 2.84Å; F415-W515 HydrophobicContact CB-CD2 3.79Å; F415-W515 HydrophobicContact CB-CE3 3.78Å; F415-W515 HydrophobicContact CB-CG 4.45Å; F415-W515 HydrophobicContact CB-CH2 3.78Å; F415-W515 HydrophobicContact CB-CZ2 3.88Å; F415-W515 HydrophobicContact CB-CZ3 3.76Å; F415-W515 HydrophobicContact CD2-CB 3.76Å; F415-W515 AromaticContact CD2-CD1 3.71Å; F415-W515 AromaticContact CD2-CD2 3.7Å; F415-W515 HydrophobicContact CD2-CD2 3.7Å; F415-W515 HydrophobicContact CD2-CE3 4.26Å; F415-W515 AromaticContact CD2-CG 3.44Å; F415-W515 HydrophobicContact CD2-CG 3.44Å; F415-W515 VanDerWaalsContact CD2-CG 3.44Å; F415-W515 HydrophobicContact CE2-CB 3.9Å; F415-W515 HydrophobicContact CE2-CG 4.04Å; F415-W515 HydrophobicContact CG-CD2 4.12Å; F415-W515 HydrophobicContact CG-CE3 4.28Å; F415-W515 HydrophobicContact CG-CG 4.3Å; R416-W515 VanDerWaalsContact CD-CZ2 3.5Å; R416-W515 HydrophobicContact CG-CH2 4.14Å; R416-W515 HydrophobicContact CG-CZ2 3.8Å; Q419-W515 VanDerWaalsContact CD-CZ3 3.42Å; Q419-W515 HydrophobicContact CG-CH2 4.09Å; Q419-W515 HydrophobicContact CG-CZ3 3.99Å; Q419-W515 VanDerWaalsContact NE2-CZ3 3.3Å; S511-W515 WeakPolarHBondContact O-CB 3.42Å; S511-W515 PolarHBondContact O-N 3.34Å; L512-W515 PolarHBondContact O-N 3.44Å; E513-W515 VanDerWaalsContact C-N 3.34Å; W515-K517 VanDerWaalsContact C-N 3.28Å; W515-K517 PolarHBondContact O-N 3.4Å; W515-A518 WeakPolarHBondContact O-CA 3.17Å; W515-A518 WeakPolarHBondContact O-CB 3.14Å; W515-A518 PolarHBondContact O-N 3.21Å; W515-V519 HydrophobicContact CD2-CG2 3.87Å; W515-V519 HydrophobicContact CE3-CG2 4.1Å; W515-V519 HydrophobicContact CH2-CG2 3.96Å; W515-V519 HydrophobicContact CZ2-CG2 3.65Å; W515-V519 HydrophobicContact CZ3-CG2 4.15Å; W515-V519 WeakPolarHBondContact O-CG2 3.1Å; W515-V519 PolarHBondContact O-N 2.93Å
516A95.6Very high93Very high37 Ų3776.4 Ų76.431%0.30635%0.352SS..Hα-helixtrans-62.3-35.4175.200000112.3L512 E513 K520L512-A516 VanDerWaalsContact O-CB 3.26Å; L512-A516 WeakPolarHBondContact O-CB 3.23Å; L512-A516 PolarHBondContact O-N 3.43Å; E513-A516 PolarHBondContact O-N 3.14Å; A516-K520 WeakPolarHBondContact O-CG 3.43Å; A516-K520 PolarHBondContact O-N 3.4Å; A516-K520 VanDerWaalsContact O-N 3.08Å
517K97Very high92.4Very high90 Ų9076.9 Ų76.939%0.39136%0.359SS..Hα-helixtrans-65.9-40.9171-68.8164.7-166157.60111.2E513 N514 W515 K520 R521E513-K517 VanDerWaalsContact O-CG 3.26Å; E513-K517 WeakPolarHBondContact O-CG 3.27Å; E513-K517 PolarHBondContact O-N 3.41Å; E513-K517 IonicContact OE2-NZ 3.92Å; N514-K517 WeakPolarHBondContact O-CB 3.29Å; N514-K517 PolarHBondContact O-N 3Å; N514-K517 PolarHBondContact OD1-NZ 2.97Å; W515-K517 VanDerWaalsContact C-N 3.28Å; W515-K517 PolarHBondContact O-N 3.4Å; K517-K520 PolarHBondContact O-N 2.86Å; K517-R521 WeakPolarHBondContact O-CG 3.37Å; K517-R521 PolarHBondContact O-N 3.09Å; K517-R521 VanDerWaalsContact O-N 3.1Å
518A97.4Very high90.8Very high3 Ų378.8 Ų78.83%0.02537%0.365CS..Hα-helixtrans-63.1-45.4176.700000111.5C372 V374 M394 N514 W515 K520 R521 S522C372-A518 HydrophobicContact CB-CB 3.71Å; V374-A518 HydrophobicContact CG2-CB 3.92Å; M394-A518 HydrophobicContact CB-CB 4.28Å; M394-A518 HydrophobicContact CG-CB 4.41Å; M394-A518 HydrophobicContact SD-CB 3.86Å; N514-A518 PolarHBondContact O-N 2.75Å; W515-A518 WeakPolarHBondContact O-CA 3.17Å; W515-A518 WeakPolarHBondContact O-CB 3.14Å; W515-A518 PolarHBondContact O-N 3.21Å; A518-K520 PolarHBondContact O-N 3.3Å; A518-R521 PolarHBondContact O-N 2.97Å; A518-R521 VanDerWaalsContact O-N 3.09Å; A518-S522 PolarHBondContact O-N 2.94Å
519V96.2Very high88.7Confident2 Ų285.7 Ų85.71%0.01241%0.411CS..Hα-helixtrans-57-48.3174.7171.90000111.3V374 L380 L384 W515 R521 S522 M523V374-V519 HydrophobicContact CG1-CG2 4.09Å; V374-V519 HydrophobicContact CG2-CG2 3.96Å; L380-V519 HydrophobicContact CD1-CG1 3.87Å; L384-V519 HydrophobicContact CD1-CG1 3.23Å; W515-V519 HydrophobicContact CD2-CG2 3.87Å; W515-V519 HydrophobicContact CE3-CG2 4.1Å; W515-V519 HydrophobicContact CH2-CG2 3.96Å; W515-V519 HydrophobicContact CZ2-CG2 3.65Å; W515-V519 HydrophobicContact CZ3-CG2 4.15Å; W515-V519 WeakPolarHBondContact O-CG2 3.1Å; W515-V519 PolarHBondContact O-N 2.93Å; V519-R521 PolarHBondContact O-N 3.13Å; V519-S522 PolarHBondContact O-N 3.16Å; V519-S522 VanDerWaalsContact O-N 3.14Å; V519-S522 PolarHBondContact O-OG 2.89Å; V519-M523 WeakPolarHBondContact O-CG 3.47Å; V519-M523 PolarHBondContact O-N 2.99Å
520K95.9Very high88.6Confident159 Ų15984.7 Ų84.769%0.69141%0.406SS*.Hα-helixtrans-61-33.6177.2-74.1177.5-177.9179.60113.1A516 K517 A518A516-K520 WeakPolarHBondContact O-CG 3.43Å; A516-K520 PolarHBondContact O-N 3.4Å; A516-K520 VanDerWaalsContact O-N 3.08Å; K517-K520 PolarHBondContact O-N 2.86Å; A518-K520 PolarHBondContact O-N 3.3Å
521R96.3Very high88.4Confident166 Ų16682.6 Ų82.663%0.62640%0.396SS*.Hα-helixtrans-77.1-21.8178.4-74.6-175.7179.7107.5-0.7113.4M394 K517 A518 V519M394-R521 HydrophobicContact CE-CB 3.64Å; M394-R521 HydrophobicContact SD-CB 3.84Å; K517-R521 WeakPolarHBondContact O-CG 3.37Å; K517-R521 PolarHBondContact O-N 3.09Å; K517-R521 VanDerWaalsContact O-N 3.1Å; A518-R521 PolarHBondContact O-N 2.97Å; A518-R521 VanDerWaalsContact O-N 3.09Å; V519-R521 PolarHBondContact O-N 3.13Å
522S95.3Very high88.1Confident0 Ų085.6 Ų85.60%041%0.406CS..Hα-helixtrans-83.8-15.5177.879.30000113.4V374 A389 C390 A518 V519V374-S522 WeakPolarHBondContact CG1-OG 3.45Å; A389-S522 CarbonylContact C-O 3.55Å; A389-S522 WeakPolarHBondContact CA-O 3.5Å; C390-S522 PolarHBondContact N-O 3.37Å; C390-S522 VanDerWaalsContact O-CB 3.32Å; C390-S522 WeakPolarHBondContact O-CB 3.49Å; A518-S522 PolarHBondContact O-N 2.94Å; V519-S522 PolarHBondContact O-N 3.16Å; V519-S522 VanDerWaalsContact O-N 3.14Å; V519-S522 PolarHBondContact O-OG 2.89Å
523M93.8Very high87.8Confident50 Ų5089.1 Ų89.125%0.24642%0.422CS..THydrogen-bonded Turntrans-70.1151.4179.9-71176.676.600113L380 L384 D386 V519 W525L380-M523 HydrophobicContact CD1-CG 3.9Å; L384-M523 HydrophobicContact CB-CE 4.34Å; L384-M523 HydrophobicContact CD1-SD 4.35Å; L384-M523 HydrophobicContact CD2-CE 4.43Å; L384-M523 HydrophobicContact CD2-SD 4.28Å; D386-M523 HydrophobicContact CB-CE 3.96Å; D386-M523 HydrophobicContact CB-CG 4.44Å; D386-M523 WeakPolarHBondContact OD2-CA 3.26Å; D386-M523 WeakPolarHBondContact OD2-CB 3.37Å; D386-M523 WeakPolarHBondContact OD2-CG 3.43Å; V519-M523 WeakPolarHBondContact O-CG 3.47Å; V519-M523 PolarHBondContact O-N 2.99Å; M523-W525 PolarHBondContact O-N 3.5Å
524N89Confident87.3Confident114 Ų11489.2 Ų89.261%0.6142%0.423SS*.THydrogen-bonded Turntrans50.935.6-180-54.9-79.7000113.4D386D386-N524 PolarHBondContact OD2-N 3.1Å
525W89.4Confident86.7Confident159 Ų15991.8 Ų91.860%0.60243%0.433SS*.  trans-78.3-46.7-176.5178.9-95.3000112.2W388 C390 M523W388-W525 PolarHBondContact O-N 3.44Å; W388-W525 VanDerWaalsContact O-N 3.12Å; C390-W525 HydrophobicContact CB-CB 3.74Å; C390-W525 HydrophobicContact CB-CD2 4.43Å; C390-W525 HydrophobicContact CB-CG 3.56Å; C390-W525 VanDerWaalsContact SG-CB 3.56Å; C390-W525 VanDerWaalsContact SG-CD1 3.6Å; M523-W525 PolarHBondContact O-N 3.5Å
526Y80.7Confident86Confident127 Ų12798.1 Ų98.150%0.49846%0.463SS..SBendtrans-83.9140.2177.5-60.9-67.4000110.6W388 C390W388-Y526 WeakPolarHBondContact O-CD2 3.4Å; W388-Y526 PolarHBondContact O-N 2.91Å; W388-Y526 VanDerWaalsContact O-N 3.07Å; C390-Y526 HydrophobicContact CB-CD2 4.21Å; C390-Y526 HydrophobicContact CB-CE2 3.45Å; C390-Y526 VanDerWaalsContact CB-CE2 3.45Å
527N72.9Confident85.3Confident141 Ų141102.8 Ų102.875%0.75448%0.475SS*.  trans-72.5146.9179.5-73.8-27.5000111.3T529N527-T529 PolarHBondContact O-N 3.25Å
528K57.2Low84.3Confident153 Ų153103.8 Ų103.867%0.66548%0.482SS*.  trans-67.694.9163.9-65173.5-177.1173.20107.6W388W388-K528 HydrophobicContact CZ2-CG 4.41Å
529T47.8Very low83.1Confident172 Ų172113 Ų113100%1.05552%0.524SS*.  trans-63.20162.336.40000110.7N527N527-T529 PolarHBondContact O-N 3.25Å

Retrieved 529 of 529 residues in 165.4 ms (Link to these results)

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