A0A087XYF4_POEFO Loading...

FGGY carbohydrate kinase domain-containing protein

AlphaFold DB , UniProt , Accession A0A087XYF4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 546 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
1M59.4Low92.2Very high242 Ų24241.1 Ų41.1100%1.19223%0.226SC*.  0145.60-67.7176.2-162.400107.3
2A78.2Confident92.4Very high77 Ų7738.4 Ų38.464%0.63621%0.214SC*.PPolyproline II helixtrans-60.6145.3173.300000109.9V4A2-V4 PolarHBondContact O-N 3.19Å
3E90.3Very high92.3Very high81 Ų8138.8 Ų38.838%0.37922%0.219SC..PPolyproline II helixtrans-64.5133.1175.1-165.5169.9-177.100108.9Y5 K28 Q71E3-Y5 HydrophobicContact CB-CE2 4.12Å; E3-Y5 HydrophobicContact CG-CE1 3.96Å; E3-Y5 HydrophobicContact CG-CE2 4.15Å; E3-Y5 PolarHBondContact OE2-OH 2.73Å; E3-K28 VanDerWaalsContact OE1-CE 3.27Å; E3-K28 WeakPolarHBondContact OE1-CE 3.46Å; E3-K28 IonicContact OE1-NZ 3.88Å; E3-K28 PolarHBondContact OE1-NZ 3.33Å; E3-K28 IonicContact OE2-NZ 2.7Å; E3-Q71 PolarHBondContact O-NE2 2.84Å; E3-Q71 VanDerWaalsContact O-NE2 3.08Å
4V95.9Very high92.3Very high32 Ų3239.9 Ų39.919%0.19423%0.234CC..PPolyproline II helixtrans-103.5138-178.6167.90000109.2A2 Y6 R23 R73A2-V4 PolarHBondContact O-N 3.19Å; V4-Y6 HydrophobicContact CG1-CE1 4.08Å; V4-R23 PolarHBondContact O-N 3.48Å; V4-R73 HydrophobicContact CG1-CB 4.04Å; V4-R73 HydrophobicContact CG1-CG 3.52Å; V4-R73 HydrophobicContact CG2-CG 4.39Å
5Y98.4Very high92.6Very high19 Ų1938.3 Ų38.38%0.07523%0.227CC..EExtended strand (participates in β ladder)trans-127.8158.3-178.9-57.5-77.6000113.1E3 L20 V21 T22 K28 V67 Q71 V72 R73E3-Y5 HydrophobicContact CB-CE2 4.12Å; E3-Y5 HydrophobicContact CG-CE1 3.96Å; E3-Y5 HydrophobicContact CG-CE2 4.15Å; E3-Y5 PolarHBondContact OE2-OH 2.73Å; Y5-L20 HydrophobicContact CD1-CD1 4.33Å; Y5-L20 HydrophobicContact CD1-CD2 3.94Å; Y5-L20 HydrophobicContact CD1-CG 3.93Å; Y5-L20 HydrophobicContact CE1-CD2 4.22Å; Y5-L20 HydrophobicContact CG-CD1 4.02Å; Y5-L20 HydrophobicContact CG-CD2 4.14Å; Y5-L20 HydrophobicContact CG-CG 4.12Å; Y5-V21 CarbonylContact C-O 3.58Å; Y5-V21 VanDerWaalsContact CA-O 3.28Å; Y5-V21 WeakPolarHBondContact CA-O 3.44Å; Y5-T22 HydrophobicContact CD1-CG2 4.3Å; Y5-T22 HydrophobicContact CE1-CG2 4.02Å; Y5-K28 HydrophobicContact CD1-CG 4.47Å; Y5-K28 HydrophobicContact CE1-CG 3.91Å; Y5-V67 HydrophobicContact CD2-CG1 3.51Å; Y5-V67 HydrophobicContact CD2-CG2 4.31Å; Y5-V67 HydrophobicContact CE2-CG1 3.7Å; Y5-V67 HydrophobicContact CE2-CG2 3.94Å; Y5-V67 HydrophobicContact CG-CG1 4.43Å; Y5-Q71 HydrophobicContact CD2-CB 3.86Å; Y5-Q71 HydrophobicContact CE2-CB 4.3Å; Y5-Q71 PolarHBondContact N-O 3.11Å; Y5-V72 WeakPolarHBondContact O-CA 3.44Å; Y5-R73 PolarHBondContact O-N 2.85Å
6Y98.6Very high93Very high0 Ų035.9 Ų35.90%021%0.213CC..EExtended strand (participates in β ladder)trans-128.8151171.9-49.8-65.9000109.2V4 V21 R23 R73 G74 A489 S492 D494 Y495 M505V4-Y6 HydrophobicContact CG1-CE1 4.08Å; Y6-V21 PolarHBondContact N-O 2.83Å; Y6-V21 PolarHBondContact O-N 3.33Å; Y6-R23 HydrophobicContact CE2-CB 4.43Å; Y6-R23 HydrophobicContact CE2-CG 4.49Å; Y6-R73 HydrophobicContact CD1-CB 4.31Å; Y6-R73 HydrophobicContact CE1-CB 3.85Å; Y6-G74 WeakPolarHBondContact CA-O 3.2Å; Y6-A489 HydrophobicContact CD1-CB 3.77Å; Y6-A489 HydrophobicContact CD2-CB 3.59Å; Y6-A489 HydrophobicContact CE1-CB 3.76Å; Y6-A489 HydrophobicContact CE2-CB 3.5Å; Y6-A489 HydrophobicContact CG-CB 3.72Å; Y6-S492 WeakPolarHBondContact CE1-OG 3.26Å; Y6-D494 WeakPolarHBondContact CE1-OD2 3.33Å; Y6-D494 WeakPolarHBondContact OH-CB 3.39Å; Y6-D494 VanDerWaalsContact OH-CG 3.29Å; Y6-D494 PolarHBondContact OH-OD2 2.87Å; Y6-Y495 HydrophobicContact CE2-CE2 4.15Å; Y6-M505 HydrophobicContact CD2-CE 3.96Å; Y6-M505 HydrophobicContact CD2-SD 4.4Å
7V98.8Very high93.3Very high0 Ų037.6 Ų37.60%021%0.214CC..EExtended strand (participates in β ladder)trans-110.6122.8174.4176.80000109.1V9 A19 L20 V60 I64 V72 G74 V75 G76V7-V9 HydrophobicContact CG1-CG2 3.93Å; V7-A19 WeakPolarHBondContact CA-O 3.42Å; V7-L20 HydrophobicContact CG2-CD1 4Å; V7-V60 HydrophobicContact CG1-CG1 4.25Å; V7-V60 HydrophobicContact CG1-CG2 3.91Å; V7-I64 HydrophobicContact CG2-CG2 3.84Å; V7-V72 HydrophobicContact CG2-CG1 3.83Å; V7-G74 PolarHBondContact N-O 3.34Å; V7-V75 HydrophobicContact CB-CG1 4.28Å; V7-V75 HydrophobicContact CB-CG2 4.34Å; V7-V75 HydrophobicContact CG1-CG1 4.34Å; V7-V75 CarbonylContact O-C 3.5Å; V7-V75 WeakPolarHBondContact O-CA 3.24Å; V7-G76 PolarHBondContact O-N 3.34Å
8G98.7Very high93.6Very high0 Ų035.5 Ų35.50%020%0.202CC..EExtended strand (participates in β ladder)trans-98.7132.8167.200000110A18 A19G8-A18 CarbonylContact O-C 3.54Å; G8-A18 WeakPolarHBondContact O-CA 3.49Å; G8-A19 PolarHBondContact N-O 2.74Å; G8-A19 PolarHBondContact O-N 3.08Å
9V98.8Very high93.8Very high0 Ų033.6 Ų33.60%019%0.192CC..EExtended strand (participates in β ladder)trans-123.9123.2176.1-175.70000109.1V7 V16 R17 A18 C56 V60 V75 G76 F77 D78V7-V9 HydrophobicContact CG1-CG2 3.93Å; V9-V16 HydrophobicContact CG1-CG1 4.05Å; V9-R17 WeakPolarHBondContact CA-O 3.5Å; V9-A18 HydrophobicContact CG2-CB 4.28Å; V9-C56 HydrophobicContact CG1-CB 4.25Å; V9-V60 HydrophobicContact CG2-CG2 3.53Å; V9-V75 HydrophobicContact CG2-CG1 4.28Å; V9-G76 PolarHBondContact N-O 3.26Å; V9-F77 HydrophobicContact CB-CD1 3.65Å; V9-F77 HydrophobicContact CB-CE1 3.93Å; V9-F77 HydrophobicContact CG1-CD1 3.92Å; V9-F77 HydrophobicContact CG1-CE1 4.12Å; V9-F77 HydrophobicContact CG2-CD1 4.08Å; V9-F77 HydrophobicContact CG2-CE1 3.86Å; V9-F77 WeakPolarHBondContact O-CA 3.45Å; V9-D78 PolarHBondContact O-N 2.86Å
10D98.6Very high94.1Very high1 Ų132.1 Ų32.11%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-116.2122.4177157.449.3000109.5G12 V16 R17 D78 V480 L481D10-G12 PolarHBondContact OD1-N 2.92Å; D10-V16 WeakPolarHBondContact O-CA 3.34Å; D10-R17 PolarHBondContact N-O 3.27Å; D10-R17 PolarHBondContact O-N 3.42Å; D10-R17 IonicContact OD2-CZ 2.73Å; D10-R17 IonicContact OD2-NE 3.86Å; D10-R17 PolarHBondContact OD2-NE 2.95Å; D10-R17 IonicContact OD2-NH2 3.32Å; D10-R17 PolarHBondContact OD2-NH2 3.47Å; D10-D78 WeakPolarHBondContact CB-OD1 3.37Å; D10-V480 HydrophobicContact CB-CG1 4.13Å; D10-L481 HydrophobicContact CB-CD2 3.64Å; D10-L481 HydrophobicContact CB-CG 4.47Å
11V98.5Very high94.3Very high0 Ų030.5 Ų30.50%017%0.174CC..EExtended strand (participates in β ladder)trans-10291.1170.9-1780000109.5V16 I35 I52 D78 A79 T80 L165 L169V11-V16 HydrophobicContact CB-CG2 4.49Å; V11-V16 HydrophobicContact CG1-CG2 4.15Å; V11-V16 HydrophobicContact CG2-CG1 4.01Å; V11-V16 HydrophobicContact CG2-CG2 3.98Å; V11-I35 HydrophobicContact CG1-CD1 4.23Å; V11-I52 HydrophobicContact CB-CG2 4.47Å; V11-I52 HydrophobicContact CG1-CD1 4.47Å; V11-I52 HydrophobicContact CG1-CG1 4.43Å; V11-I52 HydrophobicContact CG1-CG2 3.75Å; V11-I52 HydrophobicContact CG2-CG2 3.93Å; V11-D78 PolarHBondContact N-O 3.31Å; V11-A79 HydrophobicContact CB-CB 3.74Å; V11-A79 HydrophobicContact CG1-CB 4.49Å; V11-A79 CarbonylContact O-C 3.49Å; V11-A79 VanDerWaalsContact O-CA 3.26Å; V11-A79 WeakPolarHBondContact O-CA 3.3Å; V11-T80 PolarHBondContact O-N 2.93Å; V11-L165 HydrophobicContact CG1-CD2 3.9Å; V11-L169 HydrophobicContact CB-CD1 4.22Å; V11-L169 HydrophobicContact CG2-CD1 3.53Å; V11-L169 HydrophobicContact CG2-CD2 4.4Å
12G94.5Very high96Very high9 Ų919 Ų199%0.09312%0.117CC..  trans-75.3-167.6175.200000113.2D10 S15D10-G12 PolarHBondContact OD1-N 2.92Å; G12-S15 PolarHBondContact N-O 3.04Å
13T90.9Very high96.9Very high44 Ų4419.8 Ų19.827%0.2710%0.104SC..SBendtrans-68.3-41.2-176.5-62.50000113.1I37 Q47 M107 W108 M109T13-I37 HydrophobicContact CG2-CD1 4.28Å; T13-I37 WeakPolarHBondContact O-CD1 3.41Å; T13-Q47 PolarHBondContact O-NE2 2.93Å; T13-M107 HydrophobicContact CG2-CE 3.78Å; T13-W108 PolarHBondContact OG1-NE1 3.15Å; T13-M109 HydrophobicContact CG2-SD 4.13Å
14A93.4Very high97.1Very high53 Ų5320.9 Ų20.944%0.43811%0.109SC..SBendtrans-124.8-3.8-169.700000114.3P34 I35 I37A14-P34 WeakPolarHBondContact O-CA 3.45Å; A14-I35 PolarHBondContact O-N 3.32Å; A14-I37 HydrophobicContact CB-CD1 4.15Å
15S96.7Very high97Very high17 Ų1719.4 Ų19.412%0.11910%0.1CC..EExtended strand (participates in β ladder)trans-150.6158.117755.90000112G12 E32 E33G12-S15 PolarHBondContact N-O 3.04Å; S15-E32 WeakPolarHBondContact CB-OE1 3.42Å; S15-E32 PolarHBondContact OG-OE1 3.17Å; S15-E33 CarbonylContact C-O 3.53Å; S15-E33 WeakPolarHBondContact CA-O 3.49Å; S15-E33 WeakPolarHBondContact CB-O 3.42Å
16V98.4Very high96.9Very high0 Ų022 Ų220%012%0.115CC..EExtended strand (participates in β ladder)trans-100.9134.2163.6-176.60000108.3V9 D10 V11 E32 E33 I35 K55 C56 V59V9-V16 HydrophobicContact CG1-CG1 4.05Å; D10-V16 WeakPolarHBondContact O-CA 3.34Å; V11-V16 HydrophobicContact CB-CG2 4.49Å; V11-V16 HydrophobicContact CG1-CG2 4.15Å; V11-V16 HydrophobicContact CG2-CG1 4.01Å; V11-V16 HydrophobicContact CG2-CG2 3.98Å; V16-E32 CarbonylContact O-C 3.57Å; V16-E32 WeakPolarHBondContact O-CA 3.33Å; V16-E33 PolarHBondContact N-O 3.29Å; V16-E33 PolarHBondContact O-N 2.93Å; V16-I35 HydrophobicContact CG2-CG2 3.68Å; V16-K55 HydrophobicContact CB-CB 4.01Å; V16-K55 HydrophobicContact CG2-CB 3.63Å; V16-C56 HydrophobicContact CG1-CB 4.35Å; V16-V59 HydrophobicContact CG1-CG2 3.77Å
17R98.3Very high96.7Very high64 Ų6423.6 Ų23.624%0.24212%0.123CC..EExtended strand (participates in β ladder)trans-121.3149.2175.6-62.9178.8-68.1176.7-11.9110.2V9 D10 A31 E32 E478 L481V9-R17 WeakPolarHBondContact CA-O 3.5Å; D10-R17 PolarHBondContact N-O 3.27Å; D10-R17 PolarHBondContact O-N 3.42Å; D10-R17 IonicContact OD2-CZ 2.73Å; D10-R17 IonicContact OD2-NE 3.86Å; D10-R17 PolarHBondContact OD2-NE 2.95Å; D10-R17 IonicContact OD2-NH2 3.32Å; D10-R17 PolarHBondContact OD2-NH2 3.47Å; R17-A31 CarbonylContact C-O 3.23Å; R17-A31 VanDerWaalsContact CA-O 3.26Å; R17-A31 WeakPolarHBondContact CA-O 3.39Å; R17-E32 HydrophobicContact CG-CB 4.02Å; R17-E32 HydrophobicContact CG-CG 3.79Å; R17-E478 IonicContact CZ-OE2 2.96Å; R17-E478 IonicContact NH1-OE2 3.22Å; R17-E478 PolarHBondContact NH1-OE2 3.33Å; R17-L481 HydrophobicContact CB-CD1 4.07Å; R17-L481 HydrophobicContact CB-CD2 4.01Å; R17-L481 HydrophobicContact CB-CG 4.48Å
18A98.7Very high96.6Very high0 Ų028.3 Ų28.30%014%0.144CC..EExtended strand (participates in β ladder)trans-136.1152.7167.600000110.9G8 V9 T30 A31 V59 V60 V63G8-A18 CarbonylContact O-C 3.54Å; G8-A18 WeakPolarHBondContact O-CA 3.49Å; V9-A18 HydrophobicContact CG2-CB 4.28Å; A18-T30 CarbonylContact O-C 3.5Å; A18-T30 VanDerWaalsContact O-CA 3.27Å; A18-T30 WeakPolarHBondContact O-CA 3.42Å; A18-A31 PolarHBondContact N-O 3.21Å; A18-A31 PolarHBondContact O-N 3.46Å; A18-V59 HydrophobicContact CB-CB 3.92Å; A18-V59 HydrophobicContact CB-CG2 3.51Å; A18-V60 HydrophobicContact CB-CG2 4.14Å; A18-V63 HydrophobicContact CB-CG1 4.33Å; A18-V63 HydrophobicContact CB-CG2 4.17Å; A18-V63 WeakPolarHBondContact O-CG1 3.47Å
19A98.2Very high96.5Very high0 Ų031 Ų310%016%0.16CC..EExtended strand (participates in β ladder)trans-132141.3170.400000111.3V7 G8 V21 L27 T29 T30 L481V7-A19 WeakPolarHBondContact CA-O 3.42Å; G8-A19 PolarHBondContact N-O 2.74Å; G8-A19 PolarHBondContact O-N 3.08Å; A19-V21 HydrophobicContact CB-CG2 3.99Å; A19-L27 HydrophobicContact CB-CD2 3.64Å; A19-T29 VanDerWaalsContact CA-O 3.32Å; A19-T29 WeakPolarHBondContact CA-O 3.41Å; A19-T30 HydrophobicContact CB-CG2 4.04Å; A19-L481 HydrophobicContact CB-CB 3.75Å; A19-L481 HydrophobicContact CB-CD1 3.8Å; A19-L481 HydrophobicContact CB-CG 4.26Å
20L98.3Very high96.4Very high2 Ų234.8 Ų34.81%0.0118%0.183CC..EExtended strand (participates in β ladder)trans-89.2123.1161.2-172.775.1000108.8Y5 V7 K28 T29 V63 I64 V67 V72Y5-L20 HydrophobicContact CD1-CD1 4.33Å; Y5-L20 HydrophobicContact CD1-CD2 3.94Å; Y5-L20 HydrophobicContact CD1-CG 3.93Å; Y5-L20 HydrophobicContact CE1-CD2 4.22Å; Y5-L20 HydrophobicContact CG-CD1 4.02Å; Y5-L20 HydrophobicContact CG-CD2 4.14Å; Y5-L20 HydrophobicContact CG-CG 4.12Å; V7-L20 HydrophobicContact CG2-CD1 4Å; L20-K28 HydrophobicContact CB-CB 4.47Å; L20-K28 HydrophobicContact CD2-CB 4.18Å; L20-K28 PolarHBondContact O-N 3.45Å; L20-T29 PolarHBondContact N-O 3.22Å; L20-V63 HydrophobicContact CB-CB 4.16Å; L20-V63 HydrophobicContact CB-CG2 4.4Å; L20-I64 HydrophobicContact CD1-CG2 4.25Å; L20-V67 HydrophobicContact CD2-CB 4.35Å; L20-V67 HydrophobicContact CD2-CG2 3.56Å; L20-V72 HydrophobicContact CD1-CG2 4.18Å
21V97.9Very high96.4Very high0 Ų035.4 Ų35.40%019%0.188CC..EExtended strand (participates in β ladder)trans-123134.8-172.1-168.50000109.7Y5 Y6 A19 G25 L26 L27 A485 M505Y5-V21 CarbonylContact C-O 3.58Å; Y5-V21 VanDerWaalsContact CA-O 3.28Å; Y5-V21 WeakPolarHBondContact CA-O 3.44Å; Y6-V21 PolarHBondContact N-O 2.83Å; Y6-V21 PolarHBondContact O-N 3.33Å; A19-V21 HydrophobicContact CB-CG2 3.99Å; V21-G25 VanDerWaalsContact CG1-CA 3.5Å; V21-L26 WeakPolarHBondContact CA-O 3.5Å; V21-L27 HydrophobicContact CG2-CD2 4.05Å; V21-A485 HydrophobicContact CB-CB 3.78Å; V21-A485 HydrophobicContact CG1-CB 4.27Å; V21-A485 HydrophobicContact CG2-CB 3.48Å; V21-A485 VanDerWaalsContact CG2-CB 3.48Å; V21-M505 HydrophobicContact CB-CE 4.45Å; V21-M505 HydrophobicContact CG1-CE 3.78Å
22T97Very high96.4Very high1 Ų141.1 Ų41.11%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-72170175.268.40000112Y5 Q24 G25 L26 K28Y5-T22 HydrophobicContact CD1-CG2 4.3Å; Y5-T22 HydrophobicContact CE1-CG2 4.02Å; T22-Q24 PolarHBondContact O-N 2.94Å; T22-Q24 PolarHBondContact OG1-N 3.42Å; T22-G25 PolarHBondContact O-N 3.19Å; T22-G25 PolarHBondContact OG1-N 3.02Å; T22-L26 HydrophobicContact CG2-CB 4.11Å; T22-L26 PolarHBondContact N-O 2.91Å; T22-L26 WeakPolarHBondContact OG1-CB 3.38Å; T22-L26 PolarHBondContact OG1-N 3.34Å; T22-L26 VanDerWaalsContact OG1-N 3.08Å; T22-K28 HydrophobicContact CG2-CD 4.07Å; T22-K28 HydrophobicContact CG2-CG 3.84Å
23R95.9Very high96.6Very high93 Ų9342 Ų4235%0.35122%0.217SC..THydrogen-bonded Turntrans-50.5-38.5167.4-166.9167.3-172.2165.35.1113.1V4 Y6 G25 D494 Y495 M505V4-R23 PolarHBondContact O-N 3.48Å; Y6-R23 HydrophobicContact CE2-CB 4.43Å; Y6-R23 HydrophobicContact CE2-CG 4.49Å; R23-G25 VanDerWaalsContact C-N 3.26Å; R23-G25 PolarHBondContact O-N 2.79Å; R23-D494 PolarHBondContact NH2-O 3.36Å; R23-Y495 HydrophobicContact CG-CE2 4.49Å; R23-Y495 WeakPolarHBondContact CG-OH 3.34Å; R23-Y495 PolarHBondContact O-OH 2.95Å; R23-M505 WeakPolarHBondContact O-CG 3.36Å
24Q94.5Very high96.9Very high104 Ų10444.5 Ų44.549%0.48623%0.234SC..THydrogen-bonded Turntrans-84.58179.9-64.771.532.200114.1T22 K504 K507T22-Q24 PolarHBondContact O-N 2.94Å; T22-Q24 PolarHBondContact OG1-N 3.42Å; Q24-K504 CarbonylContact C-O 3.56Å; Q24-K504 VanDerWaalsContact O-O 3.08Å; Q24-K507 WeakPolarHBondContact O-CE 3.21Å
25G94.6Very high97.1Very high0 Ų042.6 Ų42.60%022%0.216CC..  trans80.212.617900000115.5V21 T22 R23 M505V21-G25 VanDerWaalsContact CG1-CA 3.5Å; T22-G25 PolarHBondContact O-N 3.19Å; T22-G25 PolarHBondContact OG1-N 3.02Å; R23-G25 VanDerWaalsContact C-N 3.26Å; R23-G25 PolarHBondContact O-N 2.79Å; G25-M505 WeakPolarHBondContact CA-O 3.21Å
26L95.2Very high97.2Very high75 Ų7544.4 Ų44.439%0.39323%0.227SC..  trans-79.9130.8178.6-57.4178000110.1V21 T22V21-L26 WeakPolarHBondContact CA-O 3.5Å; T22-L26 HydrophobicContact CG2-CB 4.11Å; T22-L26 PolarHBondContact N-O 2.91Å; T22-L26 WeakPolarHBondContact OG1-CB 3.38Å; T22-L26 PolarHBondContact OG1-N 3.34Å; T22-L26 VanDerWaalsContact OG1-N 3.08Å
27L95.1Very high97.1Very high33 Ų3347.6 Ų47.617%0.17324%0.243CC..EExtended strand (participates in β ladder)trans-71.5127.6173.2-63.1173.3000109.7A19 V21 Q476 E478 V482A19-L27 HydrophobicContact CB-CD2 3.64Å; V21-L27 HydrophobicContact CG2-CD2 4.05Å; L27-Q476 HydrophobicContact CD1-CB 3.8Å; L27-Q476 HydrophobicContact CD1-CG 4.43Å; L27-Q476 HydrophobicContact CG-CB 4.12Å; L27-Q476 HydrophobicContact CG-CG 4.28Å; L27-Q476 VanDerWaalsContact CG-OE1 3.3Å; L27-E478 HydrophobicContact CD1-CB 3.9Å; L27-E478 HydrophobicContact CD1-CG 4.31Å; L27-V482 HydrophobicContact CD2-CG2 3.91Å; L27-V482 HydrophobicContact CG-CG2 4.3Å
28K96.1Very high97.1Very high99 Ų9948.3 Ų48.343%0.4325%0.246SC..EExtended strand (participates in β ladder)trans-100.8-45.5174.8-68.1-72.6-178150.40112.1E3 Y5 L20 T22E3-K28 VanDerWaalsContact OE1-CE 3.27Å; E3-K28 WeakPolarHBondContact OE1-CE 3.46Å; E3-K28 IonicContact OE1-NZ 3.88Å; E3-K28 PolarHBondContact OE1-NZ 3.33Å; E3-K28 IonicContact OE2-NZ 2.7Å; Y5-K28 HydrophobicContact CD1-CG 4.47Å; Y5-K28 HydrophobicContact CE1-CG 3.91Å; L20-K28 HydrophobicContact CB-CB 4.47Å; L20-K28 HydrophobicContact CD2-CB 4.18Å; L20-K28 PolarHBondContact O-N 3.45Å; T22-K28 HydrophobicContact CG2-CD 4.07Å; T22-K28 HydrophobicContact CG2-CG 3.84Å
29T96.8Very high97Very high56 Ų5653.3 Ų53.334%0.34427%0.267SS..EExtended strand (participates in β ladder)trans-149.5141.2-177.7-440000108.3A19 L20 V63A19-T29 VanDerWaalsContact CA-O 3.32Å; A19-T29 WeakPolarHBondContact CA-O 3.41Å; L20-T29 PolarHBondContact N-O 3.22Å; T29-V63 HydrophobicContact CG2-CB 4.5Å; T29-V63 HydrophobicContact CG2-CG1 4.41Å
30T97.7Very high96.8Very high79 Ų7956 Ų5649%0.48529%0.285SS..EExtended strand (participates in β ladder)trans-124.1153.4172.558.70000109.6A18 A19 E478 L481A18-T30 CarbonylContact O-C 3.5Å; A18-T30 VanDerWaalsContact O-CA 3.27Å; A18-T30 WeakPolarHBondContact O-CA 3.42Å; A19-T30 HydrophobicContact CB-CG2 4.04Å; T30-E478 HydrophobicContact CG2-CG 4.38Å; T30-L481 HydrophobicContact CG2-CD1 4.47Å
31A98.3Very high96.6Very high14 Ų1459.7 Ų59.712%0.11630%0.302CS..EExtended strand (participates in β ladder)trans-143.3150.6172.100000109.7R17 A18 V59 K62 V63R17-A31 CarbonylContact C-O 3.23Å; R17-A31 VanDerWaalsContact CA-O 3.26Å; R17-A31 WeakPolarHBondContact CA-O 3.39Å; A18-A31 PolarHBondContact N-O 3.21Å; A18-A31 PolarHBondContact O-N 3.46Å; A31-V59 HydrophobicContact CB-CB 3.98Å; A31-V59 HydrophobicContact CB-CG1 4.23Å; A31-K62 HydrophobicContact CB-CB 3.76Å; A31-K62 HydrophobicContact CB-CD 4.03Å; A31-V63 HydrophobicContact CB-CG1 3.66Å
32E98.1Very high96.3Very high120 Ų12064.7 Ų64.756%0.56134%0.335SS*.EExtended strand (participates in β ladder)trans-137.5143.5179.5-179.2171.9-171.900109.8S15 V16 R17S15-E32 WeakPolarHBondContact CB-OE1 3.42Å; S15-E32 PolarHBondContact OG-OE1 3.17Å; V16-E32 CarbonylContact O-C 3.57Å; V16-E32 WeakPolarHBondContact O-CA 3.33Å; R17-E32 HydrophobicContact CG-CB 4.02Å; R17-E32 HydrophobicContact CG-CG 3.79Å
33E98.2Very high95.9Very high28 Ų2868.8 Ų68.813%0.13135%0.354CS..EExtended strand (participates in β ladder)trans-138.2139.1165.9-73.6-160.3-163.700111.8S15 V16 K55 S58 V59 K62S15-E33 CarbonylContact C-O 3.53Å; S15-E33 WeakPolarHBondContact CA-O 3.49Å; S15-E33 WeakPolarHBondContact CB-O 3.42Å; V16-E33 PolarHBondContact N-O 3.29Å; V16-E33 PolarHBondContact O-N 2.93Å; E33-K55 HydrophobicContact CB-CD 4Å; E33-K55 WeakPolarHBondContact OE2-CD 3.32Å; E33-K55 WeakPolarHBondContact OE2-CE 3.39Å; E33-K55 IonicContact OE2-NZ 2.63Å; E33-K55 PolarHBondContact OE2-NZ 3.06Å; E33-S58 VanDerWaalsContact OE1-CB 3.32Å; E33-S58 WeakPolarHBondContact OE1-CB 3.47Å; E33-S58 PolarHBondContact OE1-OG 2.96Å; E33-V59 HydrophobicContact CB-CG1 4.07Å; E33-V59 HydrophobicContact CG-CG1 3.87Å; E33-K62 VanDerWaalsContact OE1-CE 3.27Å; E33-K62 WeakPolarHBondContact OE1-CE 3.16Å; E33-K62 IonicContact OE1-NZ 2.8Å; E33-K62 PolarHBondContact OE1-NZ 3.36Å
34P98.1Very high96Very high97 Ų9765.5 Ų65.563%0.6334%0.342SS*.EExtended strand (participates in β ladder)trans-67.5150.317530.1-35.1000111.4A14 K55A14-P34 WeakPolarHBondContact O-CA 3.45Å; P34-K55 WeakPolarHBondContact O-CE 3.46Å
35I97Very high96.1Very high12 Ų1262.1 Ų62.16%0.06233%0.325CS..  trans-117.5147.7171.450.9179.6000110.4V11 A14 V16 I52 K55V11-I35 HydrophobicContact CG1-CD1 4.23Å; A14-I35 PolarHBondContact O-N 3.32Å; V16-I35 HydrophobicContact CG2-CG2 3.68Å; I35-I52 HydrophobicContact CD1-CG1 4.26Å; I35-I52 HydrophobicContact CG2-CG1 4.24Å; I35-K55 HydrophobicContact CG2-CB 4.12Å; I35-K55 HydrophobicContact CG2-CG 3.71Å
36T97.8Very high96.3Very high56 Ų5662.1 Ų62.134%0.34433%0.325SS..  trans-74.9137.4-177.9-54.10000110.6W38 E51T36-W38 HydrophobicContact CG2-CD2 3.93Å; T36-W38 VanDerWaalsContact CG2-CE2 3.41Å; T36-W38 HydrophobicContact CG2-CE3 4.33Å; T36-W38 HydrophobicContact CG2-CH2 3.82Å; T36-W38 HydrophobicContact CG2-CZ2 3.38Å; T36-W38 HydrophobicContact CG2-CZ3 4.27Å; T36-E51 WeakPolarHBondContact CB-OE2 3.48Å; T36-E51 PolarHBondContact N-OE1 3.32Å; T36-E51 PolarHBondContact N-OE2 3.29Å; T36-E51 VanDerWaalsContact N-OE2 3.08Å; T36-E51 PolarHBondContact OG1-OE1 3.17Å; T36-E51 PolarHBondContact OG1-OE2 3.5Å
37I97.6Very high96.4Very high67 Ų6758.6 Ų58.634%0.34431%0.307SS..  trans-118.8123.4172.3-60.5169.5000108T13 A14 Y45 M107T13-I37 HydrophobicContact CG2-CD1 4.28Å; T13-I37 WeakPolarHBondContact O-CD1 3.41Å; A14-I37 HydrophobicContact CB-CD1 4.15Å; I37-Y45 HydrophobicContact CG2-CD1 4.16Å; I37-M107 HydrophobicContact CB-SD 4.43Å; I37-M107 HydrophobicContact CD1-CE 4.1Å; I37-M107 HydrophobicContact CG1-CE 4.12Å; I37-M107 HydrophobicContact CG1-SD 4.18Å; I37-M107 HydrophobicContact CG2-CE 4.38Å; I37-M107 HydrophobicContact CG2-SD 3.63Å
38W98.1Very high96.6Very high78 Ų7857.1 Ų57.130%0.29530%0.299SS..EExtended strand (participates in β ladder)trans-103.2138173.1-60.9-84.2000110.7T36 P40 Y45 V46 K103T36-W38 HydrophobicContact CG2-CD2 3.93Å; T36-W38 VanDerWaalsContact CG2-CE2 3.41Å; T36-W38 HydrophobicContact CG2-CE3 4.33Å; T36-W38 HydrophobicContact CG2-CH2 3.82Å; T36-W38 HydrophobicContact CG2-CZ2 3.38Å; T36-W38 HydrophobicContact CG2-CZ3 4.27Å; W38-P40 VanDerWaalsContact C-CD 3.5Å; W38-P40 VanDerWaalsContact O-CD 3.3Å; W38-P40 WeakPolarHBondContact O-CD 3.42Å; W38-Y45 WeakPolarHBondContact O-CA 3.38Å; W38-V46 HydrophobicContact CB-CG2 3.75Å; W38-V46 HydrophobicContact CE3-CG2 4.47Å; W38-V46 PolarHBondContact N-O 3.29Å; W38-V46 PolarHBondContact O-N 3.32Å; W38-K103 HydrophobicContact CD2-CG 4.37Å; W38-K103 HydrophobicContact CE3-CG 4.28Å
39K96.4Very high96.7Very high105 Ų10552.5 Ų52.546%0.45728%0.279SS..EExtended strand (participates in β ladder)trans-113.878.9172.1-172.6171.7-176.8162.70110.1Q41 E43 H44 Y45K39-Q41 VanDerWaalsContact C-N 3.26Å; K39-Q41 WeakPolarHBondContact CE-O 3.42Å; K39-Q41 VanDerWaalsContact CG-O 3.26Å; K39-Q41 WeakPolarHBondContact CG-O 3.49Å; K39-Q41 PolarHBondContact O-N 3.2Å; K39-E43 IonicContact NZ-OE1 2.79Å; K39-H44 VanDerWaalsContact CA-O 3.31Å; K39-H44 WeakPolarHBondContact CA-O 3.35Å; K39-H44 WeakPolarHBondContact CG-O 3.38Å; K39-Y45 HydrophobicContact CB-CD1 4.48Å; K39-Y45 HydrophobicContact CB-CE1 4.41Å; K39-Y45 HydrophobicContact CD-CE1 3.81Å; K39-Y45 HydrophobicContact CG-CE1 4.2Å; K39-Y45 PolarHBondContact NZ-OH 2.85Å
40P94.2Very high96.8Very high57 Ų5752 Ų5237%0.3728%0.276SS..EExtended strand (participates in β ladder)trans-65.3-27.9-175.525.1-35.3000113.4W38 H44 V46 T96W38-P40 VanDerWaalsContact C-CD 3.5Å; W38-P40 VanDerWaalsContact O-CD 3.3Å; W38-P40 WeakPolarHBondContact O-CD 3.42Å; P40-H44 WeakPolarHBondContact CD-O 3.17Å; P40-H44 HydrophobicContact CG-CB 4Å; P40-V46 HydrophobicContact CG-CG2 4.25Å; P40-T96 HydrophobicContact CB-CG2 4.46Å; P40-T96 HydrophobicContact CG-CG2 4Å
41Q93.9Very high96.9Very high80 Ų8049.8 Ų49.837%0.37426%0.26SS..EExtended strand (participates in β ladder)trans-145.3164.3177.1-65.6-175.99.600109.5K39 E43 H44K39-Q41 VanDerWaalsContact C-N 3.26Å; K39-Q41 WeakPolarHBondContact CE-O 3.42Å; K39-Q41 VanDerWaalsContact CG-O 3.26Å; K39-Q41 WeakPolarHBondContact CG-O 3.49Å; K39-Q41 PolarHBondContact O-N 3.2Å; Q41-E43 PolarHBondContact O-N 3.24Å; Q41-H44 HydrophobicContact CB-CB 4.06Å; Q41-H44 PolarHBondContact O-N 3.47Å; Q41-H44 VanDerWaalsContact O-N 3.12Å; Q41-H44 PolarHBondContact OE1-CE1 2.81Å; Q41-H44 VanDerWaalsContact OE1-CE1 3.32Å
42P91.8Very high96.9Very high105 Ų10549.1 Ų49.168%0.68226%0.255SS*.THydrogen-bonded Turntrans-47.7136.5167.3-2736.3000110.7H44P42-H44 PolarHBondContact O-CD2 3.35Å; P42-H44 PolarHBondContact O-N 3Å
43E89.4Confident96.9Very high86 Ų8644 Ų4440%0.40223%0.23SC..THydrogen-bonded Turntrans600.1-178.6-52.6-4297.600117.9K39 Q41 H111K39-E43 IonicContact NZ-OE1 2.79Å; Q41-E43 PolarHBondContact O-N 3.24Å; E43-H111 HydrophobicContact CB-CB 4.11Å; E43-H111 PolarHBondContact O-N 3.41Å
44H96.2Very high96.9Very high24 Ų2448.3 Ų48.311%0.11125%0.251CS..EExtended strand (participates in β ladder)trans-98.7121.2175.9-66.5-156.2000109.4K39 P40 Q41 P42 D110 R112 W146K39-H44 VanDerWaalsContact CA-O 3.31Å; K39-H44 WeakPolarHBondContact CA-O 3.35Å; K39-H44 WeakPolarHBondContact CG-O 3.38Å; P40-H44 WeakPolarHBondContact CD-O 3.17Å; P40-H44 HydrophobicContact CG-CB 4Å; Q41-H44 HydrophobicContact CB-CB 4.06Å; Q41-H44 PolarHBondContact O-N 3.47Å; Q41-H44 VanDerWaalsContact O-N 3.12Å; Q41-H44 PolarHBondContact OE1-CE1 2.81Å; Q41-H44 VanDerWaalsContact OE1-CE1 3.32Å; P42-H44 PolarHBondContact O-CD2 3.35Å; P42-H44 PolarHBondContact O-N 3Å; H44-D110 VanDerWaalsContact CA-OD2 3.26Å; H44-D110 WeakPolarHBondContact CA-OD2 3.48Å; H44-R112 VanDerWaalsContact CD2-CB 3.44Å; H44-R112 WeakPolarHBondContact CD2-CB 3.28Å; H44-R112 VanDerWaalsContact NE2-CB 3.27Å; H44-R112 WeakPolarHBondContact NE2-CB 3.21Å; H44-W146 AromaticContact CE1-CZ2 3.75Å
45Y97.2Very high97Very high34 Ų3446.1 Ų46.113%0.13323%0.231CC..EExtended strand (participates in β ladder)trans-129.2121.4-177.5-67.3-85.8000109.2I37 W38 K39 M107 M109 D110I37-Y45 HydrophobicContact CG2-CD1 4.16Å; W38-Y45 WeakPolarHBondContact O-CA 3.38Å; K39-Y45 HydrophobicContact CB-CD1 4.48Å; K39-Y45 HydrophobicContact CB-CE1 4.41Å; K39-Y45 HydrophobicContact CD-CE1 3.81Å; K39-Y45 HydrophobicContact CG-CE1 4.2Å; K39-Y45 PolarHBondContact NZ-OH 2.85Å; Y45-M107 WeakPolarHBondContact O-CB 3.48Å; Y45-M107 WeakPolarHBondContact O-CG 3.46Å; Y45-M107 PolarHBondContact O-N 3.11Å; Y45-M109 HydrophobicContact CD1-CE 4.28Å; Y45-M109 HydrophobicContact CD2-CE 4.2Å; Y45-M109 HydrophobicContact CD2-CG 4.32Å; Y45-M109 HydrophobicContact CE1-CE 4.03Å; Y45-M109 HydrophobicContact CE2-CE 3.96Å; Y45-M109 HydrophobicContact CG-CE 4.36Å; Y45-M109 HydrophobicContact CG-CG 4.26Å; Y45-D110 PolarHBondContact N-OD2 3.27Å
46V98.3Very high97.1Very high0 Ų045.6 Ų45.60%023%0.228CC..EExtended strand (participates in β ladder)trans-131.9155.8-176.6-57.80000112.6W38 P40 V95 T96 K103 V105W38-V46 HydrophobicContact CB-CG2 3.75Å; W38-V46 HydrophobicContact CE3-CG2 4.47Å; W38-V46 PolarHBondContact N-O 3.29Å; W38-V46 PolarHBondContact O-N 3.32Å; P40-V46 HydrophobicContact CG-CG2 4.25Å; V46-V95 HydrophobicContact CG1-CG2 3.95Å; V46-T96 HydrophobicContact CB-CG2 4.48Å; V46-T96 HydrophobicContact CG1-CG2 3.92Å; V46-T96 HydrophobicContact CG2-CG2 3.99Å; V46-K103 HydrophobicContact CG2-CB 3.95Å; V46-K103 HydrophobicContact CG2-CD 4.07Å; V46-K103 HydrophobicContact CG2-CG 4.03Å; V46-V105 CarbonylContact C-O 3.54Å; V46-V105 WeakPolarHBondContact CA-O 3.41Å; V46-V105 VanDerWaalsContact CB-O 3.25Å; V46-V105 WeakPolarHBondContact CB-O 3.38Å
47Q98.6Very high97.1Very high1 Ų143.4 Ų43.41%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-135.6176.1178.9-72177.4-44.200111.6T13 I52 N104 V105 M107T13-Q47 PolarHBondContact O-NE2 2.93Å; Q47-I52 HydrophobicContact CB-CD1 4.1Å; Q47-N104 PolarHBondContact O-N 2.57Å; Q47-V105 HydrophobicContact CB-CB 3.96Å; Q47-V105 HydrophobicContact CB-CG1 4.3Å; Q47-V105 HydrophobicContact CB-CG2 4.49Å; Q47-V105 PolarHBondContact N-O 3.34Å; Q47-V105 WeakPolarHBondContact O-CB 3.5Å; Q47-V105 PolarHBondContact O-N 3.12Å; Q47-V105 VanDerWaalsContact O-N 3.11Å; Q47-M107 HydrophobicContact CB-CG 4.42Å; Q47-M107 HydrophobicContact CG-CE 4.22Å; Q47-M107 HydrophobicContact CG-CG 3.7Å; Q47-M107 HydrophobicContact CG-SD 3.6Å; Q47-M107 VanDerWaalsContact CG-SD 3.6Å
48S98.8Very high97.2Very high1 Ų142.1 Ų42.11%0.00721%0.212CC..  trans-111.2119.7177.2174.90000110T50 E51 I52 Q102S48-T50 PolarHBondContact O-N 3.14Å; S48-T50 PolarHBondContact OG-N 3.03Å; S48-E51 PolarHBondContact O-N 3.43Å; S48-E51 PolarHBondContact OG-N 3.29Å; S48-E51 VanDerWaalsContact OG-N 3.11Å; S48-I52 WeakPolarHBondContact O-CB 3.35Å; S48-I52 WeakPolarHBondContact O-CD1 3.21Å; S48-I52 VanDerWaalsContact O-CG1 3.24Å; S48-I52 WeakPolarHBondContact O-CG1 3.47Å; S48-I52 PolarHBondContact O-N 3.4Å; S48-Q102 WeakPolarHBondContact CA-O 3.47Å; S48-Q102 WeakPolarHBondContact CB-O 3.23Å; S48-Q102 PolarHBondContact OG-O 2.49Å; S48-Q102 PolarHBondContact OG-OE1 2.85Å; S48-Q102 VanDerWaalsContact OG-OE1 3.07Å
49S98.8Very high97.2Very high2 Ų238.4 Ų38.41%0.01420%0.198CC..Hα-helixtrans-66.4-27.3174.375.10000111.6W53 N104 F168S49-W53 PolarHBondContact O-N 3.09Å; S49-W53 VanDerWaalsContact O-N 3.1Å; S49-N104 PolarHBondContact N-OD1 3.14Å; S49-N104 PolarHBondContact OG-ND2 2.84Å; S49-N104 PolarHBondContact OG-OD1 3.16Å; S49-F168 VanDerWaalsContact CB-CZ 3.5Å
50T98.5Very high97.3Very high45 Ų4533.4 Ų33.428%0.27618%0.176SC..Hα-helixtrans-68.7-50176.4-57.60000111S48 W53 Q54S48-T50 PolarHBondContact O-N 3.14Å; S48-T50 PolarHBondContact OG-N 3.03Å; T50-W53 PolarHBondContact O-N 3.14Å; T50-Q54 VanDerWaalsContact O-CG 3.31Å; T50-Q54 WeakPolarHBondContact O-CG 3.31Å; T50-Q54 PolarHBondContact O-N 3.34Å; T50-Q54 VanDerWaalsContact O-N 3.08Å
51E98.7Very high97.5Very high33 Ų3335.3 Ų35.315%0.15418%0.179CC..Hα-helixtrans-60.7-47.7176.5-174.8-172-158.600110.4T36 S48 W53 Q54 K55T36-E51 WeakPolarHBondContact CB-OE2 3.48Å; T36-E51 PolarHBondContact N-OE1 3.32Å; T36-E51 PolarHBondContact N-OE2 3.29Å; T36-E51 VanDerWaalsContact N-OE2 3.08Å; T36-E51 PolarHBondContact OG1-OE1 3.17Å; T36-E51 PolarHBondContact OG1-OE2 3.5Å; S48-E51 PolarHBondContact O-N 3.43Å; S48-E51 PolarHBondContact OG-N 3.29Å; S48-E51 VanDerWaalsContact OG-N 3.11Å; E51-W53 VanDerWaalsContact C-N 3.33Å; E51-W53 PolarHBondContact O-N 3.36Å; E51-Q54 WeakPolarHBondContact O-CB 3.44Å; E51-Q54 PolarHBondContact O-N 3.18Å; E51-Q54 VanDerWaalsContact O-N 3.1Å; E51-K55 HydrophobicContact CG-CG 4.27Å; E51-K55 WeakPolarHBondContact O-CG 3.43Å; E51-K55 PolarHBondContact O-N 3.43Å
52I98.9Very high97.7Very high0 Ų036.1 Ų36.10%018%0.181CC..Hα-helixtrans-54.7-48.2179.2-72.4166000111.2V11 I35 Q47 S48 Q54 K55 C56 L165 L169V11-I52 HydrophobicContact CB-CG2 4.47Å; V11-I52 HydrophobicContact CG1-CD1 4.47Å; V11-I52 HydrophobicContact CG1-CG1 4.43Å; V11-I52 HydrophobicContact CG1-CG2 3.75Å; V11-I52 HydrophobicContact CG2-CG2 3.93Å; I35-I52 HydrophobicContact CD1-CG1 4.26Å; I35-I52 HydrophobicContact CG2-CG1 4.24Å; Q47-I52 HydrophobicContact CB-CD1 4.1Å; S48-I52 WeakPolarHBondContact O-CB 3.35Å; S48-I52 WeakPolarHBondContact O-CD1 3.21Å; S48-I52 VanDerWaalsContact O-CG1 3.24Å; S48-I52 WeakPolarHBondContact O-CG1 3.47Å; S48-I52 PolarHBondContact O-N 3.4Å; I52-Q54 PolarHBondContact O-N 3.4Å; I52-K55 PolarHBondContact O-N 2.9Å; I52-C56 PolarHBondContact O-N 3.44Å; I52-C56 PolarHBondContact O-SG 3.19Å; I52-L165 HydrophobicContact CD1-CD1 4.15Å; I52-L165 HydrophobicContact CD1-CD2 4.18Å; I52-L165 HydrophobicContact CG2-CD1 4.4Å; I52-L169 HydrophobicContact CG2-CD2 4.01Å
53W98.8Very high98Very high13 Ų1331.2 Ų31.25%0.04915%0.149CC..Hα-helixtrans-62.3-43.2177.6-179.9-111.7000112.1S49 T50 E51 K55 C56 C57 F77 L169 K172 A173 A236 D239 L240S49-W53 PolarHBondContact O-N 3.09Å; S49-W53 VanDerWaalsContact O-N 3.1Å; T50-W53 PolarHBondContact O-N 3.14Å; E51-W53 VanDerWaalsContact C-N 3.33Å; E51-W53 PolarHBondContact O-N 3.36Å; W53-K55 VanDerWaalsContact C-N 3.28Å; W53-K55 PolarHBondContact O-N 2.96Å; W53-C56 HydrophobicContact CE3-CB 4.37Å; W53-C56 WeakPolarHBondContact O-CB 3.39Å; W53-C56 PolarHBondContact O-N 3Å; W53-C57 VanDerWaalsContact CE2-SG 3.53Å; W53-C57 PolarHBondContact NE1-SG 2.96Å; W53-C57 PolarHBondContact O-N 3.49Å; W53-C57 PolarHBondContact O-SG 3.2Å; W53-F77 HydrophobicContact CH2-CZ 4.46Å; W53-F77 HydrophobicContact CZ3-CE1 4.16Å; W53-F77 HydrophobicContact CZ3-CZ 4.16Å; W53-L169 HydrophobicContact CE3-CD2 4.25Å; W53-K172 HydrophobicContact CB-CG 4.49Å; W53-K172 HydrophobicContact CD2-CB 4.22Å; W53-K172 HydrophobicContact CD2-CG 3.34Å; W53-K172 HydrophobicContact CE3-CB 3.99Å; W53-K172 HydrophobicContact CE3-CG 3.63Å; W53-K172 HydrophobicContact CG-CG 3.73Å; W53-K172 HydrophobicContact CH2-CB 4.45Å; W53-K172 HydrophobicContact CH2-CG 4.19Å; W53-K172 HydrophobicContact CZ2-CG 3.95Å; W53-K172 HydrophobicContact CZ3-CB 4.11Å; W53-K172 HydrophobicContact CZ3-CG 4.04Å; W53-A173 HydrophobicContact CH2-CB 4.02Å; W53-A173 HydrophobicContact CZ3-CB 4.45Å; W53-A236 HydrophobicContact CH2-CB 4.46Å; W53-A236 HydrophobicContact CZ2-CB 4.16Å; W53-D239 HydrophobicContact CZ2-CB 4.44Å; W53-D239 PolarHBondContact NE1-OD2 3.39Å; W53-L240 HydrophobicContact CH2-CD1 4.01Å; W53-L240 HydrophobicContact CH2-CD2 4.39Å; W53-L240 HydrophobicContact CH2-CG 4.29Å; W53-L240 HydrophobicContact CZ2-CD1 4.47Å; W53-L240 HydrophobicContact CZ2-CG 4.4Å
54Q98.8Very high98.4Very high119 Ų11927.8 Ų27.856%0.55613%0.134SC*.Hα-helixtrans-59.7-40.3176-70.9170.9-4.300111.7T50 E51 I52 C57 S58T50-Q54 VanDerWaalsContact O-CG 3.31Å; T50-Q54 WeakPolarHBondContact O-CG 3.31Å; T50-Q54 PolarHBondContact O-N 3.34Å; T50-Q54 VanDerWaalsContact O-N 3.08Å; E51-Q54 WeakPolarHBondContact O-CB 3.44Å; E51-Q54 PolarHBondContact O-N 3.18Å; E51-Q54 VanDerWaalsContact O-N 3.1Å; I52-Q54 PolarHBondContact O-N 3.4Å; Q54-C57 WeakPolarHBondContact O-CB 3.45Å; Q54-C57 PolarHBondContact O-N 3.39Å; Q54-S58 PolarHBondContact O-N 2.88Å
55K98.8Very high98.5Very high51 Ų5137 Ų3722%0.22217%0.168CC..Hα-helixtrans-66.3-42.8175.7-65.1-46.4-169.5176.70112.1V16 E33 P34 I35 E51 I52 W53 C57 S58 V59V16-K55 HydrophobicContact CB-CB 4.01Å; V16-K55 HydrophobicContact CG2-CB 3.63Å; E33-K55 HydrophobicContact CB-CD 4Å; E33-K55 WeakPolarHBondContact OE2-CD 3.32Å; E33-K55 WeakPolarHBondContact OE2-CE 3.39Å; E33-K55 IonicContact OE2-NZ 2.63Å; E33-K55 PolarHBondContact OE2-NZ 3.06Å; P34-K55 WeakPolarHBondContact O-CE 3.46Å; I35-K55 HydrophobicContact CG2-CB 4.12Å; I35-K55 HydrophobicContact CG2-CG 3.71Å; E51-K55 HydrophobicContact CG-CG 4.27Å; E51-K55 WeakPolarHBondContact O-CG 3.43Å; E51-K55 PolarHBondContact O-N 3.43Å; I52-K55 PolarHBondContact O-N 2.9Å; W53-K55 VanDerWaalsContact C-N 3.28Å; W53-K55 PolarHBondContact O-N 2.96Å; K55-C57 VanDerWaalsContact C-N 3.31Å; K55-C57 PolarHBondContact O-N 3.48Å; K55-S58 PolarHBondContact O-N 3.43Å; K55-V59 WeakPolarHBondContact O-CG2 3.37Å; K55-V59 PolarHBondContact O-N 3.24Å
56C98.9Very high98.3Very high0 Ų044 Ų440%020%0.201CC..Hα-helixtrans-53.9-49.8171.2-640000110.9V9 V16 I52 W53 S58 V59 V60V9-C56 HydrophobicContact CG1-CB 4.25Å; V16-C56 HydrophobicContact CG1-CB 4.35Å; I52-C56 PolarHBondContact O-N 3.44Å; I52-C56 PolarHBondContact O-SG 3.19Å; W53-C56 HydrophobicContact CE3-CB 4.37Å; W53-C56 WeakPolarHBondContact O-CB 3.39Å; W53-C56 PolarHBondContact O-N 3Å; C56-S58 VanDerWaalsContact C-N 3.33Å; C56-S58 PolarHBondContact O-N 3.46Å; C56-V59 WeakPolarHBondContact O-CG2 3.42Å; C56-V59 PolarHBondContact O-N 2.92Å; C56-V60 WeakPolarHBondContact O-CB 3.31Å; C56-V60 VanDerWaalsContact O-CG2 3.25Å; C56-V60 WeakPolarHBondContact O-CG2 3.22Å; C56-V60 PolarHBondContact O-N 3.39Å
57C98.8Very high98.1Very high11 Ų1145 Ų457%0.07421%0.208CC..Hα-helixtrans-59-44178.7-64.90000112.5W53 Q54 K55 K61 D239W53-C57 VanDerWaalsContact CE2-SG 3.53Å; W53-C57 PolarHBondContact NE1-SG 2.96Å; W53-C57 PolarHBondContact O-N 3.49Å; W53-C57 PolarHBondContact O-SG 3.2Å; Q54-C57 WeakPolarHBondContact O-CB 3.45Å; Q54-C57 PolarHBondContact O-N 3.39Å; K55-C57 VanDerWaalsContact C-N 3.31Å; K55-C57 PolarHBondContact O-N 3.48Å; C57-K61 WeakPolarHBondContact O-CB 3.28Å; C57-K61 WeakPolarHBondContact O-CG 3.38Å; C57-K61 PolarHBondContact O-N 3.26Å; C57-D239 WeakPolarHBondContact CB-O 3.19Å
58S98.8Very high97.9Very high39 Ų3951.3 Ų51.327%0.27324%0.237SC..Hα-helixtrans-63.2-49.6178.3-170.40000112.1E33 Q54 K55 C56 V60 K61 K62E33-S58 VanDerWaalsContact OE1-CB 3.32Å; E33-S58 WeakPolarHBondContact OE1-CB 3.47Å; E33-S58 PolarHBondContact OE1-OG 2.96Å; Q54-S58 PolarHBondContact O-N 2.88Å; K55-S58 PolarHBondContact O-N 3.43Å; C56-S58 VanDerWaalsContact C-N 3.33Å; C56-S58 PolarHBondContact O-N 3.46Å; S58-V60 PolarHBondContact O-N 3.33Å; S58-K61 PolarHBondContact O-N 3.25Å; S58-K62 WeakPolarHBondContact O-CG 3.25Å; S58-K62 PolarHBondContact O-N 3.39Å; S58-K62 VanDerWaalsContact O-N 3.09Å
59V98.8Very high97.6Very high0 Ų053.1 Ų53.10%025%0.249CC..Hα-helixtrans-68.2-36.2-178.4-63.50000112.2V16 A18 A31 E33 K55 C56 K62 V63V16-V59 HydrophobicContact CG1-CG2 3.77Å; A18-V59 HydrophobicContact CB-CB 3.92Å; A18-V59 HydrophobicContact CB-CG2 3.51Å; A31-V59 HydrophobicContact CB-CB 3.98Å; A31-V59 HydrophobicContact CB-CG1 4.23Å; E33-V59 HydrophobicContact CB-CG1 4.07Å; E33-V59 HydrophobicContact CG-CG1 3.87Å; K55-V59 WeakPolarHBondContact O-CG2 3.37Å; K55-V59 PolarHBondContact O-N 3.24Å; C56-V59 WeakPolarHBondContact O-CG2 3.42Å; C56-V59 PolarHBondContact O-N 2.92Å; V59-K62 WeakPolarHBondContact O-CB 3.3Å; V59-K62 PolarHBondContact O-N 3.2Å; V59-V63 PolarHBondContact O-N 3.13Å; V59-V63 VanDerWaalsContact O-N 3.09Å
60V98.8Very high97.4Very high0 Ų058.1 Ų58.10%028%0.276CS..Hα-helixtrans-63.7-47.9175.9172.50000110.6V7 V9 A18 C56 S58 K62 V63 I64 L240 L242V7-V60 HydrophobicContact CG1-CG1 4.25Å; V7-V60 HydrophobicContact CG1-CG2 3.91Å; V9-V60 HydrophobicContact CG2-CG2 3.53Å; A18-V60 HydrophobicContact CB-CG2 4.14Å; C56-V60 WeakPolarHBondContact O-CB 3.31Å; C56-V60 VanDerWaalsContact O-CG2 3.25Å; C56-V60 WeakPolarHBondContact O-CG2 3.22Å; C56-V60 PolarHBondContact O-N 3.39Å; S58-V60 PolarHBondContact O-N 3.33Å; V60-K62 PolarHBondContact O-N 3.46Å; V60-V63 VanDerWaalsContact O-CG2 3.29Å; V60-V63 WeakPolarHBondContact O-CG2 3.48Å; V60-V63 PolarHBondContact O-N 2.96Å; V60-V63 VanDerWaalsContact O-N 3.16Å; V60-I64 HydrophobicContact CG1-CD1 4.44Å; V60-I64 HydrophobicContact CG1-CG2 4.41Å; V60-I64 WeakPolarHBondContact O-CG1 3.32Å; V60-I64 PolarHBondContact O-N 3.37Å; V60-I64 VanDerWaalsContact O-N 3.12Å; V60-L240 HydrophobicContact CB-CD2 3.81Å; V60-L240 HydrophobicContact CG1-CB 4.12Å; V60-L240 HydrophobicContact CG1-CD2 3.97Å; V60-L240 HydrophobicContact CG2-CD2 3.84Å; V60-L242 HydrophobicContact CG1-CD1 4.22Å
61K98.6Very high97.3Very high98 Ų9857.9 Ų57.943%0.42627%0.272SS..Hα-helixtrans-57.1-35.1175.1-78.7173.7164.6157.30113C57 S58 R65 A238 D239 L240C57-K61 WeakPolarHBondContact O-CB 3.28Å; C57-K61 WeakPolarHBondContact O-CG 3.38Å; C57-K61 PolarHBondContact O-N 3.26Å; S58-K61 PolarHBondContact O-N 3.25Å; K61-R65 PolarHBondContact O-N 2.89Å; K61-A238 PolarHBondContact NZ-O 3.13Å; K61-D239 WeakPolarHBondContact CE-O 3.45Å; K61-D239 PolarHBondContact NZ-O 2.99Å; K61-L240 VanDerWaalsContact CG-O 3.31Å; K61-L240 WeakPolarHBondContact CG-O 3.1Å
62K98.5Very high97.3Very high97 Ų9756.6 Ų56.642%0.42227%0.266SS..Hα-helixtrans-67.7-45.8176.5-72174.4-169.5177.10112.2A31 E33 S58 V59 V60 R65A31-K62 HydrophobicContact CB-CB 3.76Å; A31-K62 HydrophobicContact CB-CD 4.03Å; E33-K62 VanDerWaalsContact OE1-CE 3.27Å; E33-K62 WeakPolarHBondContact OE1-CE 3.16Å; E33-K62 IonicContact OE1-NZ 2.8Å; E33-K62 PolarHBondContact OE1-NZ 3.36Å; S58-K62 WeakPolarHBondContact O-CG 3.25Å; S58-K62 PolarHBondContact O-N 3.39Å; S58-K62 VanDerWaalsContact O-N 3.09Å; V59-K62 WeakPolarHBondContact O-CB 3.3Å; V59-K62 PolarHBondContact O-N 3.2Å; V60-K62 PolarHBondContact O-N 3.46Å; K62-R65 WeakPolarHBondContact O-CB 3.49Å
63V98.3Very high97.3Very high2 Ų262 Ų621%0.01229%0.287CS..Hα-helixtrans-75.3-24.5-175.6-59.90000113.7A18 L20 T29 A31 V59 V60A18-V63 HydrophobicContact CB-CG1 4.33Å; A18-V63 HydrophobicContact CB-CG2 4.17Å; A18-V63 WeakPolarHBondContact O-CG1 3.47Å; L20-V63 HydrophobicContact CB-CB 4.16Å; L20-V63 HydrophobicContact CB-CG2 4.4Å; T29-V63 HydrophobicContact CG2-CB 4.5Å; T29-V63 HydrophobicContact CG2-CG1 4.41Å; A31-V63 HydrophobicContact CB-CG1 3.66Å; V59-V63 PolarHBondContact O-N 3.13Å; V59-V63 VanDerWaalsContact O-N 3.09Å; V60-V63 VanDerWaalsContact O-CG2 3.29Å; V60-V63 WeakPolarHBondContact O-CG2 3.48Å; V60-V63 PolarHBondContact O-N 2.96Å; V60-V63 VanDerWaalsContact O-N 3.16Å
64I97.7Very high97.3Very high14 Ų1461.4 Ų61.47%0.07228%0.284CS..THydrogen-bonded Turntrans-92.50.4178.672-179.9000113.8V7 L20 V60 E66 V67 V72 L240 G241 L242V7-I64 HydrophobicContact CG2-CG2 3.84Å; L20-I64 HydrophobicContact CD1-CG2 4.25Å; V60-I64 HydrophobicContact CG1-CD1 4.44Å; V60-I64 HydrophobicContact CG1-CG2 4.41Å; V60-I64 WeakPolarHBondContact O-CG1 3.32Å; V60-I64 PolarHBondContact O-N 3.37Å; V60-I64 VanDerWaalsContact O-N 3.12Å; I64-E66 PolarHBondContact O-N 3.07Å; I64-V67 PolarHBondContact O-N 3.03Å; I64-V67 VanDerWaalsContact O-O 3.11Å; I64-V72 HydrophobicContact CG2-CG2 4.2Å; I64-L240 WeakPolarHBondContact CD1-O 3.37Å; I64-G241 WeakPolarHBondContact CD1-O 3.44Å; I64-L242 HydrophobicContact CD1-CD2 3.62Å; I64-L242 HydrophobicContact CD1-CG 3.95Å; I64-L242 HydrophobicContact CG2-CD2 4.3Å
65R96.4Very high97.3Very high218 Ų21855.7 Ų55.782%0.82326%0.258SS*.THydrogen-bonded Turntrans-54-32.7-169.2-175.6179.7-178.9-177.10.8114.4K61 K62K61-R65 PolarHBondContact O-N 2.89Å; K62-R65 WeakPolarHBondContact O-CB 3.49Å
66E93.9Very high97.3Very high179 Ų17953.3 Ų53.384%0.83625%0.247SC*.THydrogen-bonded Turntrans-101.49.7-175.9-59.5-172.6169.600113.1I64I64-E66 PolarHBondContact O-N 3.07Å
67V95.1Very high97.3Very high23 Ų2353.3 Ų53.314%0.13925%0.247CC..SBendtrans-125.4140.9-174.31750000110.2Y5 L20 I64 Q71 V72Y5-V67 HydrophobicContact CD2-CG1 3.51Å; Y5-V67 HydrophobicContact CD2-CG2 4.31Å; Y5-V67 HydrophobicContact CE2-CG1 3.7Å; Y5-V67 HydrophobicContact CE2-CG2 3.94Å; Y5-V67 HydrophobicContact CG-CG1 4.43Å; L20-V67 HydrophobicContact CD2-CB 4.35Å; L20-V67 HydrophobicContact CD2-CG2 3.56Å; I64-V67 PolarHBondContact O-N 3.03Å; I64-V67 VanDerWaalsContact O-O 3.11Å; V67-Q71 HydrophobicContact CG1-CB 3.74Å; V67-Q71 HydrophobicContact CG1-CG 4.39Å; V67-V72 HydrophobicContact CG1-CG2 4.27Å
68Q94.3Very high97.3Very high132 Ų13252.8 Ų52.862%0.61724%0.244SC*.  trans-71.8139.5175.1-59.7-60.4-53.100109.6D70 Q71Q68-D70 WeakPolarHBondContact CB-OD1 3.46Å; Q68-D70 PolarHBondContact O-N 3.37Å; Q68-D70 VanDerWaalsContact O-N 3.1Å; Q68-Q71 HydrophobicContact CB-CG 4.16Å; Q68-Q71 VanDerWaalsContact N-OE1 3.14Å; Q68-Q71 WeakPolarHBondContact O-CB 3.48Å; Q68-Q71 PolarHBondContact O-N 2.99Å
69S92.1Very high97.3Very high39 Ų3950.9 Ų50.927%0.27323%0.231SC..THydrogen-bonded Turntrans-61.1-23.4-17455.60000113.7Q71 V72 N243S69-Q71 VanDerWaalsContact C-N 3.32Å; S69-V72 PolarHBondContact O-N 3.29Å; S69-N243 VanDerWaalsContact C-ND2 3.3Å; S69-N243 WeakPolarHBondContact CB-OD1 3.24Å; S69-N243 PolarHBondContact O-ND2 3.39Å; S69-N243 VanDerWaalsContact OG-CG 3.3Å; S69-N243 PolarHBondContact OG-ND2 2.95Å; S69-N243 PolarHBondContact OG-OD1 3.08Å
70D94.3Very high97.2Very high107 Ų10751 Ų5157%0.57223%0.231SC*.THydrogen-bonded Turntrans-76-17.2176.267.9-26.5000113.9Q68 N243Q68-D70 WeakPolarHBondContact CB-OD1 3.46Å; Q68-D70 PolarHBondContact O-N 3.37Å; Q68-D70 VanDerWaalsContact O-N 3.1Å; D70-N243 WeakPolarHBondContact CA-ND2 3.42Å; D70-N243 PolarHBondContact N-ND2 3.48Å
71Q96.9Very high97.1Very high41 Ų4151.8 Ų51.819%0.19224%0.237CC..THydrogen-bonded Turntrans-80-20.8174.1-57.7-177-9200112.4E3 Y5 V67 Q68 S69 R73E3-Q71 PolarHBondContact O-NE2 2.84Å; E3-Q71 VanDerWaalsContact O-NE2 3.08Å; Y5-Q71 HydrophobicContact CD2-CB 3.86Å; Y5-Q71 HydrophobicContact CE2-CB 4.3Å; Y5-Q71 PolarHBondContact N-O 3.11Å; V67-Q71 HydrophobicContact CG1-CB 3.74Å; V67-Q71 HydrophobicContact CG1-CG 4.39Å; Q68-Q71 HydrophobicContact CB-CG 4.16Å; Q68-Q71 VanDerWaalsContact N-OE1 3.14Å; Q68-Q71 WeakPolarHBondContact O-CB 3.48Å; Q68-Q71 PolarHBondContact O-N 2.99Å; S69-Q71 VanDerWaalsContact C-N 3.32Å; Q71-R73 PolarHBondContact O-N 3.04Å
72V98.3Very high97.1Very high5 Ų547.1 Ų47.13%0.0322%0.216CC..EExtended strand (participates in β ladder)trans-84.7110175-1790000108.6Y5 V7 L20 I64 V67 S69 L242 T246Y5-V72 WeakPolarHBondContact O-CA 3.44Å; V7-V72 HydrophobicContact CG2-CG1 3.83Å; L20-V72 HydrophobicContact CD1-CG2 4.18Å; I64-V72 HydrophobicContact CG2-CG2 4.2Å; V67-V72 HydrophobicContact CG1-CG2 4.27Å; S69-V72 PolarHBondContact O-N 3.29Å; V72-L242 HydrophobicContact CB-CD2 3.72Å; V72-L242 HydrophobicContact CG1-CD1 4.26Å; V72-L242 HydrophobicContact CG1-CD2 3.8Å; V72-L242 HydrophobicContact CG2-CD2 3.87Å; V72-T246 HydrophobicContact CG1-CG2 4.36Å
73R98.4Very high97.1Very high114 Ų11442.5 Ų42.543%0.4320%0.196SC..EExtended strand (participates in β ladder)trans-95.5-20.9-171.6-68.5-63.5-59.5-119.8-12.7113.9V4 Y5 Y6 Q71 A247 S492 D494V4-R73 HydrophobicContact CG1-CB 4.04Å; V4-R73 HydrophobicContact CG1-CG 3.52Å; V4-R73 HydrophobicContact CG2-CG 4.39Å; Y5-R73 PolarHBondContact O-N 2.85Å; Y6-R73 HydrophobicContact CD1-CB 4.31Å; Y6-R73 HydrophobicContact CE1-CB 3.85Å; Q71-R73 PolarHBondContact O-N 3.04Å; R73-A247 WeakPolarHBondContact O-CB 3.19Å; R73-A247 PolarHBondContact O-N 3.42Å; R73-S492 VanDerWaalsContact O-CB 3.3Å; R73-S492 WeakPolarHBondContact O-CB 3.48Å; R73-D494 IonicContact NH2-OD1 2.75Å
74G98.5Very high97.1Very high0 Ų042.4 Ų42.40%020%0.196CC..EExtended strand (participates in β ladder)trans-162.8156.6178.700000113.9Y6 V7 A247Y6-G74 WeakPolarHBondContact CA-O 3.2Å; V7-G74 PolarHBondContact N-O 3.34Å; G74-A247 CarbonylContact C-O 3.59Å; G74-A247 WeakPolarHBondContact CA-O 3.45Å
75V98.9Very high97.2Very high0 Ų041.8 Ų41.80%019%0.192CC..EExtended strand (participates in β ladder)trans-124.6134.9176.8-170.90000109V7 V9 F77 L242 T246 A247 V248 G249V7-V75 HydrophobicContact CB-CG1 4.28Å; V7-V75 HydrophobicContact CB-CG2 4.34Å; V7-V75 HydrophobicContact CG1-CG1 4.34Å; V7-V75 CarbonylContact O-C 3.5Å; V7-V75 WeakPolarHBondContact O-CA 3.24Å; V9-V75 HydrophobicContact CG2-CG1 4.28Å; V75-F77 HydrophobicContact CB-CE2 4.32Å; V75-F77 HydrophobicContact CG1-CD2 4.3Å; V75-F77 HydrophobicContact CG1-CE1 4.3Å; V75-F77 HydrophobicContact CG1-CE2 3.63Å; V75-F77 HydrophobicContact CG1-CZ 3.62Å; V75-L242 HydrophobicContact CG2-CD1 3.59Å; V75-T246 HydrophobicContact CG2-CG2 4.14Å; V75-A247 PolarHBondContact N-O 2.97Å; V75-V248 WeakPolarHBondContact O-CA 3.37Å; V75-G249 PolarHBondContact O-N 3.03Å
76G98.8Very high97.3Very high0 Ų031.5 Ų31.50%015%0.154CC..EExtended strand (participates in β ladder)trans-121143.3170.600000111.4V7 V9 A484V7-G76 PolarHBondContact O-N 3.34Å; V9-G76 PolarHBondContact N-O 3.26Å; G76-A484 WeakPolarHBondContact CA-O 3.14Å
77F98.8Very high97.5Very high0 Ų025.1 Ų25.10%013%0.125CC..EExtended strand (participates in β ladder)trans-119.5130.8179.4-63.2-86.4000110.1V9 W53 V75 L169 A173 L240 V248 S251 L252V9-F77 HydrophobicContact CB-CD1 3.65Å; V9-F77 HydrophobicContact CB-CE1 3.93Å; V9-F77 HydrophobicContact CG1-CD1 3.92Å; V9-F77 HydrophobicContact CG1-CE1 4.12Å; V9-F77 HydrophobicContact CG2-CD1 4.08Å; V9-F77 HydrophobicContact CG2-CE1 3.86Å; V9-F77 WeakPolarHBondContact O-CA 3.45Å; W53-F77 HydrophobicContact CH2-CZ 4.46Å; W53-F77 HydrophobicContact CZ3-CE1 4.16Å; W53-F77 HydrophobicContact CZ3-CZ 4.16Å; V75-F77 HydrophobicContact CB-CE2 4.32Å; V75-F77 HydrophobicContact CG1-CD2 4.3Å; V75-F77 HydrophobicContact CG1-CE1 4.3Å; V75-F77 HydrophobicContact CG1-CE2 3.63Å; V75-F77 HydrophobicContact CG1-CZ 3.62Å; F77-L169 HydrophobicContact CB-CB 3.92Å; F77-L169 HydrophobicContact CB-CD1 4.24Å; F77-L169 HydrophobicContact CD1-CB 3.9Å; F77-L169 HydrophobicContact CD1-CD1 4.27Å; F77-L169 HydrophobicContact CG-CB 3.92Å; F77-A173 HydrophobicContact CE2-CB 3.75Å; F77-A173 HydrophobicContact CZ-CB 4.12Å; F77-L240 HydrophobicContact CZ-CD1 4.43Å; F77-V248 HydrophobicContact CD2-CG1 4.06Å; F77-V248 HydrophobicContact CE2-CG1 3.99Å; F77-S251 WeakPolarHBondContact O-CA 3.49Å; F77-L252 PolarHBondContact O-N 3.45Å
78D98.7Very high97.6Very high0 Ų031.9 Ų31.90%016%0.156CC..EExtended strand (participates in β ladder)trans-125.1158.6161.973.890.1000111V9 D10 V11 L252 D254 A257 V480 A484V9-D78 PolarHBondContact O-N 2.86Å; D10-D78 WeakPolarHBondContact CB-OD1 3.37Å; V11-D78 PolarHBondContact N-O 3.31Å; D78-L252 WeakPolarHBondContact CA-O 3.47Å; D78-L252 HydrophobicContact CB-CB 4.37Å; D78-L252 WeakPolarHBondContact CB-O 3.44Å; D78-D254 VanDerWaalsContact OD1-CA 3.29Å; D78-D254 WeakPolarHBondContact OD1-CA 3.47Å; D78-A257 HydrophobicContact CB-CB 3.58Å; D78-V480 WeakPolarHBondContact OD1-CG1 3.36Å; D78-A484 WeakPolarHBondContact OD2-CB 3.42Å
79A98.6Very high97.7Very high0 Ų029.7 Ų29.70%016%0.155CC..EExtended strand (participates in β ladder)trans-158.6167.5177.400000112.3V11 L165 P166 L169 L252 I253 D254V11-A79 HydrophobicContact CB-CB 3.74Å; V11-A79 HydrophobicContact CG1-CB 4.49Å; V11-A79 CarbonylContact O-C 3.49Å; V11-A79 VanDerWaalsContact O-CA 3.26Å; V11-A79 WeakPolarHBondContact O-CA 3.3Å; A79-L165 HydrophobicContact CB-CB 4.13Å; A79-L165 HydrophobicContact CB-CD2 3.83Å; A79-L165 HydrophobicContact CB-CG 3.71Å; A79-P166 HydrophobicContact CB-CB 4.41Å; A79-P166 HydrophobicContact CB-CG 3.83Å; A79-L169 HydrophobicContact CB-CD1 3.97Å; A79-L252 PolarHBondContact N-O 3.08Å; A79-I253 CarbonylContact O-C 3.58Å; A79-I253 WeakPolarHBondContact O-CA 3.47Å; A79-D254 PolarHBondContact O-N 3.38Å
80T97Very high98Very high1 Ų131 Ų311%0.00616%0.156CC..  trans-54.6150.3162.965.60000111.1V11 S82 W108V11-T80 PolarHBondContact O-N 2.93Å; T80-S82 PolarHBondContact O-N 2.91Å; T80-S82 PolarHBondContact OG1-OG 3.48Å; T80-W108 VanDerWaalsContact CB-CD1 3.48Å; T80-W108 HydrophobicContact CG2-CG 4.47Å
81C96.6Very high98.2Very high18 Ų1831.2 Ų31.212%0.12215%0.153CC..  trans-77.353.517953.50000113.9Q140 D164 K187 I253C81-Q140 PolarHBondContact O-NE2 3.26Å; C81-D164 VanDerWaalsContact CA-OD1 3.23Å; C81-D164 WeakPolarHBondContact CA-OD1 3.13Å; C81-K187 HydrophobicContact CB-CD 4.3Å; C81-K187 HydrophobicContact CB-CG 3.9Å; C81-I253 HydrophobicContact CB-CD1 3.94Å; C81-I253 HydrophobicContact CB-CG1 4.1Å; C81-I253 HydrophobicContact CB-CG2 4.34Å
82S98.3Very high98.2Very high0 Ų030.6 Ų30.60%015%0.153CC..PPolyproline II helixtrans-87.4150.7-179.1-59.70000111.5T80 V106 M107 W108 D164 L165T80-S82 PolarHBondContact O-N 2.91Å; T80-S82 PolarHBondContact OG1-OG 3.48Å; S82-V106 WeakPolarHBondContact CA-O 3.46Å; S82-V106 WeakPolarHBondContact CB-O 3.02Å; S82-M107 WeakPolarHBondContact OG-CA 2.94Å; S82-W108 PolarHBondContact OG-N 2.89Å; S82-D164 CarbonylContact O-C 3.56Å; S82-L165 PolarHBondContact O-N 3.24Å
83L98.9Very high98.3Very high0 Ų030.6 Ų30.60%015%0.153CC..EExtended strand (participates in β ladder)trans-94.5117.5-177-179.265.7000110.9V85 V105 V106 K143 L144 L147 F162 W188L83-V85 HydrophobicContact CG-CG2 4.44Å; L83-V105 CarbonylContact O-C 3.57Å; L83-V105 VanDerWaalsContact O-CA 3.25Å; L83-V105 WeakPolarHBondContact O-CA 3.48Å; L83-V106 HydrophobicContact CB-CB 4.27Å; L83-V106 PolarHBondContact N-O 2.66Å; L83-V106 PolarHBondContact O-N 3.34Å; L83-K143 HydrophobicContact CD2-CB 3.92Å; L83-L144 HydrophobicContact CD1-CD2 4.34Å; L83-L144 HydrophobicContact CD2-CD2 3.99Å; L83-L144 HydrophobicContact CD2-CG 4.33Å; L83-L147 HydrophobicContact CD2-CD1 3.84Å; L83-F162 HydrophobicContact CD1-CB 4.13Å; L83-F162 HydrophobicContact CD1-CD1 4.49Å; L83-W188 HydrophobicContact CD1-CH2 3.61Å; L83-W188 HydrophobicContact CD1-CZ2 3.87Å
84V98.9Very high98.2Very high0 Ų025.9 Ų25.90%014%0.137CC..EExtended strand (participates in β ladder)trans-99.5134.7174.8-173.20000110L86 V105 F162 F163 L165 F168V84-L86 HydrophobicContact CG1-CD2 4.26Å; V84-L86 HydrophobicContact CG1-CG 4.34Å; V84-V105 HydrophobicContact CG1-CG2 4.36Å; V84-V105 HydrophobicContact CG2-CG1 4.3Å; V84-V105 HydrophobicContact CG2-CG2 4Å; V84-F162 WeakPolarHBondContact O-CA 3.37Å; V84-F163 HydrophobicContact CB-CB 4.19Å; V84-F163 PolarHBondContact N-O 3.29Å; V84-F163 PolarHBondContact O-N 2.81Å; V84-L165 HydrophobicContact CG2-CB 4.17Å; V84-L165 HydrophobicContact CG2-CD1 3.69Å; V84-F168 HydrophobicContact CB-CB 4.26Å; V84-F168 HydrophobicContact CB-CG 4.41Å; V84-F168 HydrophobicContact CG1-CB 4.45Å; V84-F168 HydrophobicContact CG1-CD2 3.82Å; V84-F168 HydrophobicContact CG1-CE2 4.28Å; V84-F168 HydrophobicContact CG1-CG 4.1Å; V84-F168 HydrophobicContact CG2-CB 3.94Å; V84-F168 HydrophobicContact CG2-CD1 4.5Å; V84-F168 HydrophobicContact CG2-CG 4.12Å
85V98.8Very high98.2Very high0 Ų025.9 Ų25.90%014%0.137CC..EExtended strand (participates in β ladder)trans-118.2126.6179.9-164.80000111.2L83 V93 V95 N104 L147 A159 F162L83-V85 HydrophobicContact CG-CG2 4.44Å; V85-V93 HydrophobicContact CB-CB 4.34Å; V85-V93 HydrophobicContact CG1-CB 3.92Å; V85-V93 HydrophobicContact CG1-CG1 4.18Å; V85-V93 PolarHBondContact O-N 3.1Å; V85-V95 HydrophobicContact CB-CG1 4.02Å; V85-V95 HydrophobicContact CG2-CG1 3.43Å; V85-V95 VanDerWaalsContact CG2-CG1 3.43Å; V85-N104 PolarHBondContact N-O 3.49Å; V85-N104 PolarHBondContact O-ND2 2.92Å; V85-L147 HydrophobicContact CG2-CD1 4.07Å; V85-A159 HydrophobicContact CG1-CB 3.54Å; V85-F162 HydrophobicContact CB-CD1 4.43Å; V85-F162 HydrophobicContact CB-CE1 4.49Å; V85-F162 HydrophobicContact CG1-CD1 3.91Å; V85-F162 HydrophobicContact CG1-CE1 3.63Å; V85-F162 HydrophobicContact CG2-CD1 3.96Å; V85-F162 HydrophobicContact CG2-CE1 4.09Å
86L98.8Very high98.1Very high2 Ų226.2 Ų26.21%0.0114%0.139CC..EExtended strand (participates in β ladder)trans-132.1154.9179-51.8174.9000111.8V84 F90 Q91 A160 H161 F163 F168 W171V84-L86 HydrophobicContact CG1-CD2 4.26Å; V84-L86 HydrophobicContact CG1-CG 4.34Å; L86-F90 HydrophobicContact CD1-CB 4.46Å; L86-F90 HydrophobicContact CD1-CD1 4.13Å; L86-Q91 CarbonylContact C-O 3.56Å; L86-Q91 VanDerWaalsContact CA-O 3.24Å; L86-Q91 WeakPolarHBondContact CA-O 3.42Å; L86-A160 PolarHBondContact O-N 3.43Å; L86-H161 HydrophobicContact CB-CB 4.32Å; L86-H161 PolarHBondContact N-O 3.49Å; L86-H161 PolarHBondContact O-N 3.39Å; L86-F163 HydrophobicContact CD1-CD2 4.21Å; L86-F163 HydrophobicContact CD1-CE2 4.18Å; L86-F168 HydrophobicContact CD1-CD2 4.11Å; L86-F168 HydrophobicContact CD1-CE2 4.2Å; L86-W171 HydrophobicContact CD1-CE3 4.37Å; L86-W171 HydrophobicContact CD1-CH2 4.11Å; L86-W171 HydrophobicContact CD1-CZ3 3.85Å
87D98.3Very high97.9Very high45 Ų4532.7 Ų32.724%0.24117%0.169CC..  trans-86.7-177.2173.372.715.1000112.7S89 F90 Q91 V93 K158 H161D87-S89 PolarHBondContact O-N 3.4Å; D87-S89 VanDerWaalsContact OD1-C 3.28Å; D87-S89 WeakPolarHBondContact OD1-CA 3.32Å; D87-S89 PolarHBondContact OD1-N 3.34Å; D87-F90 WeakPolarHBondContact O-CA 3.42Å; D87-F90 PolarHBondContact O-N 3.1Å; D87-F90 PolarHBondContact OD1-N 3.2Å; D87-F90 VanDerWaalsContact OD1-N 3.11Å; D87-Q91 PolarHBondContact N-O 3.45Å; D87-Q91 PolarHBondContact OD1-N 2.89Å; D87-V93 HydrophobicContact CB-CG2 3.73Å; D87-K158 WeakPolarHBondContact CA-O 3.44Å; D87-K158 WeakPolarHBondContact CB-O 3.39Å; D87-H161 PolarHBondContact O-CD2 2.56Å
88E97.1Very high97.7Very high166 Ų16637.3 Ų37.378%0.77619%0.194SC*.THydrogen-bonded Turntrans-62.9-25.5-178.5-173.9175-159.500113.3F90 A160E88-F90 VanDerWaalsContact C-N 3.27Å; E88-A160 HydrophobicContact CB-CB 3.95Å; E88-A160 VanDerWaalsContact N-CB 3.29Å
89S97.5Very high97.4Very high86 Ų8639 Ų3960%0.60121%0.212SC*.THydrogen-bonded Turntrans-92.915.3173.9-63.10000112.4D87 Q91D87-S89 PolarHBondContact O-N 3.4Å; D87-S89 VanDerWaalsContact OD1-C 3.28Å; D87-S89 WeakPolarHBondContact OD1-CA 3.32Å; D87-S89 PolarHBondContact OD1-N 3.34Å; S89-Q91 PolarHBondContact O-N 3.13Å; S89-Q91 PolarHBondContact O-NE2 3.31Å; S89-Q91 VanDerWaalsContact O-NE2 3.11Å
90F97.5Very high97.3Very high66 Ų6641.5 Ų41.529%0.28923%0.225SC..  trans54.929.4-176.2-62.8-85.2000114.3L86 D87 E88 H161 F163 W171 T177L86-F90 HydrophobicContact CD1-CB 4.46Å; L86-F90 HydrophobicContact CD1-CD1 4.13Å; D87-F90 WeakPolarHBondContact O-CA 3.42Å; D87-F90 PolarHBondContact O-N 3.1Å; D87-F90 PolarHBondContact OD1-N 3.2Å; D87-F90 VanDerWaalsContact OD1-N 3.11Å; E88-F90 VanDerWaalsContact C-N 3.27Å; F90-H161 AromaticContact CD1-CD2 3.52Å; F90-H161 AromaticContact CD1-NE2 3.88Å; F90-H161 AromaticContact CE1-CD2 3.34Å; F90-H161 WeakPolarHBondContact CE1-CD2 3.41Å; F90-H161 AromaticContact CE1-CE1 3.79Å; F90-H161 AromaticContact CE1-CG 3.82Å; F90-H161 AromaticContact CE1-NE2 3.33Å; F90-H161 VanDerWaalsContact CE1-NE2 3.33Å; F90-H161 WeakPolarHBondContact CE1-NE2 3.44Å; F90-H161 AromaticContact CE2-NE2 3.99Å; F90-H161 AromaticContact CZ-CD2 3.92Å; F90-H161 AromaticContact CZ-CE1 3.82Å; F90-H161 AromaticContact CZ-NE2 3.39Å; F90-H161 WeakPolarHBondContact CZ-NE2 3.48Å; F90-F163 HydrophobicContact CE1-CE2 4.42Å; F90-W171 HydrophobicContact CB-CH2 3.56Å; F90-W171 HydrophobicContact CB-CZ2 3.52Å; F90-W171 HydrophobicContact CD1-CD2 4.4Å; F90-W171 AromaticContact CD1-CE2 3.44Å; F90-W171 VanDerWaalsContact CD1-CE2 3.44Å; F90-W171 AromaticContact CD1-CH2 3.7Å; F90-W171 HydrophobicContact CD1-CH2 3.7Å; F90-W171 AromaticContact CD1-CZ2 3.06Å; F90-W171 HydrophobicContact CD1-CZ2 3.06Å; F90-W171 AromaticContact CD1-NE1 3.79Å; F90-W171 HydrophobicContact CD2-CZ2 4.01Å; F90-W171 HydrophobicContact CE1-CD2 4.48Å; F90-W171 AromaticContact CE1-CE2 3.53Å; F90-W171 AromaticContact CE1-CZ2 3.63Å; F90-W171 HydrophobicContact CE1-CZ2 3.63Å; F90-W171 AromaticContact CE1-NE1 3.35Å; F90-W171 VanDerWaalsContact CE1-NE1 3.35Å; F90-W171 HydrophobicContact CE2-CZ2 4.47Å; F90-W171 AromaticContact CG-CH2 3.84Å; F90-W171 HydrophobicContact CG-CH2 3.84Å; F90-W171 AromaticContact CG-CZ2 3.27Å; F90-W171 HydrophobicContact CG-CZ2 3.27Å; F90-W171 HydrophobicContact CZ-CZ2 4.3Å; F90-W171 AromaticContact CZ-NE1 3.76Å; F90-T177 HydrophobicContact CE1-CG2 4.43Å; F90-T177 HydrophobicContact CZ-CG2 4.27Å
91Q98.2Very high97.2Very high111 Ų11144.5 Ų44.552%0.51924%0.244SC..  trans-87.2146.4173.2-57.2-55-63.600111L86 D87 S89 V93L86-Q91 CarbonylContact C-O 3.56Å; L86-Q91 VanDerWaalsContact CA-O 3.24Å; L86-Q91 WeakPolarHBondContact CA-O 3.42Å; D87-Q91 PolarHBondContact N-O 3.45Å; D87-Q91 PolarHBondContact OD1-N 2.89Å; S89-Q91 PolarHBondContact O-N 3.13Å; S89-Q91 PolarHBondContact O-NE2 3.31Å; S89-Q91 VanDerWaalsContact O-NE2 3.11Å; Q91-V93 PolarHBondContact O-N 3.28Å
92P98.4Very high97.2Very high28 Ų2847.5 Ų47.518%0.18226%0.256CS..BIsolated β-bridgetrans-53.3127.6175.3-30.138.3000113.9P101 N104P92-P101 WeakPolarHBondContact CB-O 3.34Å; P92-N104 HydrophobicContact CB-CB 3.87Å
93V98.6Very high97.2Very high5 Ų548.6 Ų48.63%0.0326%0.261CS..  trans-105.7126.1173.4176.20000109.3V85 D87 Q91 N104 C155 K158V85-V93 HydrophobicContact CB-CB 4.34Å; V85-V93 HydrophobicContact CG1-CB 3.92Å; V85-V93 HydrophobicContact CG1-CG1 4.18Å; V85-V93 PolarHBondContact O-N 3.1Å; D87-V93 HydrophobicContact CB-CG2 3.73Å; Q91-V93 PolarHBondContact O-N 3.28Å; V93-N104 WeakPolarHBondContact O-CA 3.4Å; V93-N104 WeakPolarHBondContact O-CB 3.45Å; V93-C155 HydrophobicContact CG1-CB 4.18Å; V93-K158 HydrophobicContact CG1-CB 4.31Å; V93-K158 HydrophobicContact CG2-CB 4.43Å
94P98.1Very high97.2Very high16 Ų1648.6 Ų48.610%0.10426%0.261CS..  trans-61.5139.4-176.725-34.6000112.3D100 C155P94-D100 WeakPolarHBondContact CB-O 3.45Å; P94-C155 WeakPolarHBondContact O-CB 3.3Å; P94-C155 PolarHBondContact O-SG 3.12Å; P94-C155 VanDerWaalsContact O-SG 3.35Å
95V98.1Very high97.2Very high0 Ų048.6 Ų48.60%026%0.261CS..  trans-11120.8174.8-60.70000112.3V46 V85 K103 V106 R112 L147 L151V46-V95 HydrophobicContact CG1-CG2 3.95Å; V85-V95 HydrophobicContact CB-CG1 4.02Å; V85-V95 HydrophobicContact CG2-CG1 3.43Å; V85-V95 VanDerWaalsContact CG2-CG1 3.43Å; V95-K103 WeakPolarHBondContact CG2-O 3.28Å; V95-K103 PolarHBondContact N-O 3.12Å; V95-V106 HydrophobicContact CB-CG2 3.72Å; V95-V106 HydrophobicContact CG1-CG2 4Å; V95-V106 HydrophobicContact CG2-CG2 3.68Å; V95-R112 PolarHBondContact O-NH1 2.99Å; V95-L147 HydrophobicContact CB-CD2 4.06Å; V95-L147 HydrophobicContact CG1-CD1 4.43Å; V95-L147 HydrophobicContact CG1-CD2 4.16Å; V95-L151 WeakPolarHBondContact O-CD1 3.47Å
96T96.9Very high97.2Very high6 Ų648.6 Ų48.64%0.03726%0.261CS..SBendtrans-130.4155.2-179.549.30000111P40 V46 D98 G99 K103P40-T96 HydrophobicContact CB-CG2 4.46Å; P40-T96 HydrophobicContact CG-CG2 4Å; V46-T96 HydrophobicContact CB-CG2 4.48Å; V46-T96 HydrophobicContact CG1-CG2 3.92Å; V46-T96 HydrophobicContact CG2-CG2 3.99Å; T96-D98 VanDerWaalsContact C-N 3.27Å; T96-D98 WeakPolarHBondContact CB-OD1 3.45Å; T96-D98 PolarHBondContact O-N 3.43Å; T96-D98 PolarHBondContact OG1-OD1 3.22Å; T96-G99 PolarHBondContact O-N 3.17Å; T96-K103 HydrophobicContact CG2-CB 3.98Å; T96-K103 HydrophobicContact CG2-CD 4.06Å
97Q93.9Very high97.2Very high137 Ų13748.5 Ų48.564%0.6426%0.261SS*.THydrogen-bonded Turntrans-67.9-24.5-178.6-70.5-177.5-9.700113.6G99 L151Q97-G99 PolarHBondContact O-N 3.1Å; Q97-L151 HydrophobicContact CG-CD2 3.92Å
98D94Very high97Very high97 Ų9748.7 Ų48.752%0.51926%0.258SS..THydrogen-bonded Turntrans-71.4-10.2176.765-4.1000113.1T96 D100 K103T96-D98 VanDerWaalsContact C-N 3.27Å; T96-D98 WeakPolarHBondContact CB-OD1 3.45Å; T96-D98 PolarHBondContact O-N 3.43Å; T96-D98 PolarHBondContact OG1-OD1 3.22Å; D98-D100 PolarHBondContact O-N 3.37Å; D98-D100 PolarHBondContact OD1-N 3.21Å; D98-K103 IonicContact OD2-NZ 3.87Å; D98-K103 PolarHBondContact OD2-NZ 3.35Å
99G93.7Very high96.7Very high36 Ų3642.3 Ų42.337%0.37123%0.229SC..  trans71.315.2176.700000114.4T96 Q97 P101T96-G99 PolarHBondContact O-N 3.17Å; Q97-G99 PolarHBondContact O-N 3.1Å; G99-P101 VanDerWaalsContact O-CD 3.31Å; G99-P101 WeakPolarHBondContact O-CD 3.34Å
100D96.6Very high96.5Very high51 Ų5138.2 Ų38.227%0.27320%0.2SC..  trans-70.8112.1-179.3-177-8000111.1P94 D98 Q102 K103P94-D100 WeakPolarHBondContact CB-O 3.45Å; D98-D100 PolarHBondContact O-N 3.37Å; D98-D100 PolarHBondContact OD1-N 3.21Å; D100-Q102 PolarHBondContact O-N 3.31Å; D100-Q102 VanDerWaalsContact O-N 3.1Å; D100-Q102 WeakPolarHBondContact OD1-CB 3.44Å; D100-Q102 PolarHBondContact OD1-N 2.85Å; D100-K103 HydrophobicContact CB-CD 4.19Å; D100-K103 HydrophobicContact CB-CG 4.29Å; D100-K103 PolarHBondContact O-N 3.31Å; D100-K103 IonicContact OD2-NZ 2.74Å; D100-K103 PolarHBondContact OD2-NZ 2.92Å
101P94.7Very high96.3Very high64 Ų6436.4 Ų36.442%0.41619%0.193SC..THydrogen-bonded Turntrans-65.7-15.5-176.728.8-35.7000113P92 G99 K103P92-P101 WeakPolarHBondContact CB-O 3.34Å; G99-P101 VanDerWaalsContact O-CD 3.31Å; G99-P101 WeakPolarHBondContact O-CD 3.34Å; P101-K103 PolarHBondContact O-N 3.3Å
102Q96.6Very high96.2Very high81 Ų8132 Ų3238%0.37917%0.171SC..THydrogen-bonded Turntrans-73.8-15.8172.2-63.5-59-40.800112.7S48 D100 N104S48-Q102 WeakPolarHBondContact CA-O 3.47Å; S48-Q102 WeakPolarHBondContact CB-O 3.23Å; S48-Q102 PolarHBondContact OG-O 2.49Å; S48-Q102 PolarHBondContact OG-OE1 2.85Å; S48-Q102 VanDerWaalsContact OG-OE1 3.07Å; D100-Q102 PolarHBondContact O-N 3.31Å; D100-Q102 VanDerWaalsContact O-N 3.1Å; D100-Q102 WeakPolarHBondContact OD1-CB 3.44Å; D100-Q102 PolarHBondContact OD1-N 2.85Å; Q102-N104 PolarHBondContact O-N 2.87Å
103K98.2Very high96.2Very high24 Ų2430.7 Ų30.710%0.10416%0.163CC..  trans-101.869.2177.2-62178.4-170.2110.90109.1W38 V46 V95 T96 D98 D100 P101W38-K103 HydrophobicContact CD2-CG 4.37Å; W38-K103 HydrophobicContact CE3-CG 4.28Å; V46-K103 HydrophobicContact CG2-CB 3.95Å; V46-K103 HydrophobicContact CG2-CD 4.07Å; V46-K103 HydrophobicContact CG2-CG 4.03Å; V95-K103 WeakPolarHBondContact CG2-O 3.28Å; V95-K103 PolarHBondContact N-O 3.12Å; T96-K103 HydrophobicContact CG2-CB 3.98Å; T96-K103 HydrophobicContact CG2-CD 4.06Å; D98-K103 IonicContact OD2-NZ 3.87Å; D98-K103 PolarHBondContact OD2-NZ 3.35Å; D100-K103 HydrophobicContact CB-CD 4.19Å; D100-K103 HydrophobicContact CB-CG 4.29Å; D100-K103 PolarHBondContact O-N 3.31Å; D100-K103 IonicContact OD2-NZ 2.74Å; D100-K103 PolarHBondContact OD2-NZ 2.92Å; P101-K103 PolarHBondContact O-N 3.3Å
104N98.8Very high96Very high0 Ų032.1 Ų32.10%018%0.175CC..  trans-112.18-173.976.8-51.9000114.4Q47 S49 V85 P92 V93 Q102Q47-N104 PolarHBondContact O-N 2.57Å; S49-N104 PolarHBondContact N-OD1 3.14Å; S49-N104 PolarHBondContact OG-ND2 2.84Å; S49-N104 PolarHBondContact OG-OD1 3.16Å; V85-N104 PolarHBondContact N-O 3.49Å; V85-N104 PolarHBondContact O-ND2 2.92Å; P92-N104 HydrophobicContact CB-CB 3.87Å; V93-N104 WeakPolarHBondContact O-CA 3.4Å; V93-N104 WeakPolarHBondContact O-CB 3.45Å; Q102-N104 PolarHBondContact O-N 2.87Å
105V98.8Very high95.9Very high0 Ų037.3 Ų37.30%020%0.198CC..EExtended strand (participates in β ladder)trans-118.5121.3177.1-174.50000109.7V46 Q47 L83 V84V46-V105 CarbonylContact C-O 3.54Å; V46-V105 WeakPolarHBondContact CA-O 3.41Å; V46-V105 VanDerWaalsContact CB-O 3.25Å; V46-V105 WeakPolarHBondContact CB-O 3.38Å; Q47-V105 HydrophobicContact CB-CB 3.96Å; Q47-V105 HydrophobicContact CB-CG1 4.3Å; Q47-V105 HydrophobicContact CB-CG2 4.49Å; Q47-V105 PolarHBondContact N-O 3.34Å; Q47-V105 WeakPolarHBondContact O-CB 3.5Å; Q47-V105 PolarHBondContact O-N 3.12Å; Q47-V105 VanDerWaalsContact O-N 3.11Å; L83-V105 CarbonylContact O-C 3.57Å; L83-V105 VanDerWaalsContact O-CA 3.25Å; L83-V105 WeakPolarHBondContact O-CA 3.48Å; V84-V105 HydrophobicContact CG1-CG2 4.36Å; V84-V105 HydrophobicContact CG2-CG1 4.3Å; V84-V105 HydrophobicContact CG2-CG2 4Å
106V98.8Very high95.9Very high0 Ų037.6 Ų37.60%020%0.199CC..EExtended strand (participates in β ladder)trans-86.5115.2166.8-176.70000107.8S82 L83 V95 D110 K143S82-V106 WeakPolarHBondContact CA-O 3.46Å; S82-V106 WeakPolarHBondContact CB-O 3.02Å; L83-V106 HydrophobicContact CB-CB 4.27Å; L83-V106 PolarHBondContact N-O 2.66Å; L83-V106 PolarHBondContact O-N 3.34Å; V95-V106 HydrophobicContact CB-CG2 3.72Å; V95-V106 HydrophobicContact CG1-CG2 4Å; V95-V106 HydrophobicContact CG2-CG2 3.68Å; V106-D110 HydrophobicContact CG1-CB 3.69Å; V106-K143 HydrophobicContact CG1-CD 3.98Å; V106-K143 HydrophobicContact CG1-CG 4.29Å
107M97.9Very high95.9Very high0 Ų037.4 Ų37.40%020%0.199CC..  trans-65.1156.4-174.4-68.2-175.97100112.5T13 I37 Y45 Q47 S82 M109 D110 K143T13-M107 HydrophobicContact CG2-CE 3.78Å; I37-M107 HydrophobicContact CB-SD 4.43Å; I37-M107 HydrophobicContact CD1-CE 4.1Å; I37-M107 HydrophobicContact CG1-CE 4.12Å; I37-M107 HydrophobicContact CG1-SD 4.18Å; I37-M107 HydrophobicContact CG2-CE 4.38Å; I37-M107 HydrophobicContact CG2-SD 3.63Å; Y45-M107 WeakPolarHBondContact O-CB 3.48Å; Y45-M107 WeakPolarHBondContact O-CG 3.46Å; Y45-M107 PolarHBondContact O-N 3.11Å; Q47-M107 HydrophobicContact CB-CG 4.42Å; Q47-M107 HydrophobicContact CG-CE 4.22Å; Q47-M107 HydrophobicContact CG-CG 3.7Å; Q47-M107 HydrophobicContact CG-SD 3.6Å; Q47-M107 VanDerWaalsContact CG-SD 3.6Å; S82-M107 WeakPolarHBondContact OG-CA 2.94Å; M107-M109 VanDerWaalsContact C-N 3.29Å; M107-M109 HydrophobicContact CB-CG 4.37Å; M107-M109 HydrophobicContact CE-CG 4.49Å; M107-M109 HydrophobicContact CE-SD 4.41Å; M107-M109 PolarHBondContact O-N 3.24Å; M107-D110 WeakPolarHBondContact O-CB 3.47Å; M107-D110 PolarHBondContact O-N 3.03Å; M107-D110 VanDerWaalsContact O-N 3.14Å; M107-K143 PolarHBondContact O-NZ 3.01Å
108W94.6Very high95.9Very high48 Ų4835.9 Ų35.918%0.18220%0.195CC..THydrogen-bonded Turntrans-52.6-46.4175.672.3-86000112.1T13 T80 S82 D110 E138 K143T13-W108 PolarHBondContact OG1-NE1 3.15Å; T80-W108 VanDerWaalsContact CB-CD1 3.48Å; T80-W108 HydrophobicContact CG2-CG 4.47Å; S82-W108 PolarHBondContact OG-N 2.89Å; W108-D110 VanDerWaalsContact C-N 3.26Å; W108-D110 PolarHBondContact O-N 3.15Å; W108-E138 VanDerWaalsContact O-CB 3.28Å; W108-E138 WeakPolarHBondContact O-CB 3.46Å; W108-E138 WeakPolarHBondContact O-CG 3.36Å; W108-K143 PolarHBondContact O-NZ 2.65Å; W108-K143 VanDerWaalsContact O-NZ 3.08Å
109M90.1Very high96.1Very high32 Ų3236.5 Ų36.516%0.15819%0.19CC..THydrogen-bonded Turntrans-79.85.9-178.666.3178.3-69.400115.1T13 Y45 M107 H111T13-M109 HydrophobicContact CG2-SD 4.13Å; Y45-M109 HydrophobicContact CD1-CE 4.28Å; Y45-M109 HydrophobicContact CD2-CE 4.2Å; Y45-M109 HydrophobicContact CD2-CG 4.32Å; Y45-M109 HydrophobicContact CE1-CE 4.03Å; Y45-M109 HydrophobicContact CE2-CE 3.96Å; Y45-M109 HydrophobicContact CG-CE 4.36Å; Y45-M109 HydrophobicContact CG-CG 4.26Å; M107-M109 VanDerWaalsContact C-N 3.29Å; M107-M109 HydrophobicContact CB-CG 4.37Å; M107-M109 HydrophobicContact CE-CG 4.49Å; M107-M109 HydrophobicContact CE-SD 4.41Å; M107-M109 PolarHBondContact O-N 3.24Å; M109-H111 PolarHBondContact O-CD2 2.96Å
110D94.1Very high96.3Very high0 Ų034.9 Ų34.90%017%0.173CC..  trans-72.5126.8175.4-171.1-57.5000110.2H44 Y45 V106 M107 W108 R112H44-D110 VanDerWaalsContact CA-OD2 3.26Å; H44-D110 WeakPolarHBondContact CA-OD2 3.48Å; Y45-D110 PolarHBondContact N-OD2 3.27Å; V106-D110 HydrophobicContact CG1-CB 3.69Å; M107-D110 WeakPolarHBondContact O-CB 3.47Å; M107-D110 PolarHBondContact O-N 3.03Å; M107-D110 VanDerWaalsContact O-N 3.14Å; W108-D110 VanDerWaalsContact C-N 3.26Å; W108-D110 PolarHBondContact O-N 3.15Å; D110-R112 VanDerWaalsContact CG-NE 3.25Å; D110-R112 WeakPolarHBondContact OD1-CB 3.26Å; D110-R112 WeakPolarHBondContact OD1-CG 3.47Å; D110-R112 IonicContact OD1-CZ 3.78Å; D110-R112 PolarHBondContact OD1-N 3.45Å; D110-R112 IonicContact OD1-NE 2.71Å; D110-R112 PolarHBondContact OD1-NE 3.44Å; D110-R112 IonicContact OD2-CZ 3.54Å; D110-R112 IonicContact OD2-NE 3.48Å; D110-R112 PolarHBondContact OD2-NE 2.64Å; D110-R112 IonicContact OD2-NH2 3.84Å; D110-R112 PolarHBondContact OD2-NH2 3.44Å
111H93.9Very high96.2Very high29 Ų2933.6 Ų33.613%0.13417%0.167CC..  trans-110.218.8-176.4-64.8-179.2000112.7E43 M109 A113 A114 Q137 E138 H388E43-H111 HydrophobicContact CB-CB 4.11Å; E43-H111 PolarHBondContact O-N 3.41Å; M109-H111 PolarHBondContact O-CD2 2.96Å; H111-A113 PolarHBondContact O-N 2.74Å; H111-A113 VanDerWaalsContact O-N 3.11Å; H111-A114 PolarHBondContact O-N 2.95Å; H111-Q137 HydrophobicContact CB-CG 4.28Å; H111-Q137 PolarHBondContact CD2-NE2 3.35Å; H111-Q137 VanDerWaalsContact CD2-NE2 3.3Å; H111-Q137 PolarHBondContact CE1-NE2 3.24Å; H111-Q137 PolarHBondContact ND1-NE2 2.96Å; H111-E138 IonicContact CD2-OE1 2.86Å; H111-E138 IonicContact CE1-OE1 2.6Å; H111-E138 IonicContact NE2-OE1 3.07Å; H111-E138 PolarHBondContact NE2-OE1 3.26Å; H111-H388 AromaticContact CE1-NE2 3.82Å
112R96.4Very high96.2Very high18 Ų1837.1 Ų37.17%0.06818%0.182CC..THydrogen-bonded Turntrans-58-26.8178.175.4-177.566-174.12.4113.9H44 V95 D110 A114 W146H44-R112 VanDerWaalsContact CD2-CB 3.44Å; H44-R112 WeakPolarHBondContact CD2-CB 3.28Å; H44-R112 VanDerWaalsContact NE2-CB 3.27Å; H44-R112 WeakPolarHBondContact NE2-CB 3.21Å; V95-R112 PolarHBondContact O-NH1 2.99Å; D110-R112 VanDerWaalsContact CG-NE 3.25Å; D110-R112 WeakPolarHBondContact OD1-CB 3.26Å; D110-R112 WeakPolarHBondContact OD1-CG 3.47Å; D110-R112 IonicContact OD1-CZ 3.78Å; D110-R112 PolarHBondContact OD1-N 3.45Å; D110-R112 IonicContact OD1-NE 2.71Å; D110-R112 PolarHBondContact OD1-NE 3.44Å; D110-R112 IonicContact OD2-CZ 3.54Å; D110-R112 IonicContact OD2-NE 3.48Å; D110-R112 PolarHBondContact OD2-NE 2.64Å; D110-R112 IonicContact OD2-NH2 3.84Å; D110-R112 PolarHBondContact OD2-NH2 3.44Å; R112-A114 PolarHBondContact O-N 3.1Å; R112-W146 HydrophobicContact CB-CD2 4.39Å; R112-W146 HydrophobicContact CB-CZ2 4.4Å; R112-W146 VanDerWaalsContact CD-CD2 3.4Å; R112-W146 HydrophobicContact CG-CD2 3.72Å; R112-W146 HydrophobicContact CG-CE3 4.17Å; R112-W146 HydrophobicContact CG-CG 3.87Å; R112-W146 HydrophobicContact CG-CZ2 4.45Å; R112-W146 VanDerWaalsContact NH1-CZ3 3.34Å; R112-W146 PolarHBondContact O-NE1 2.82Å
113A97.2Very high96.3Very high0 Ų035.3 Ų35.30%018%0.177CC..THydrogen-bonded Turntrans-95.623.5-171.700000113.9H111 E115 Q116 A117 P142 K143 W146H111-A113 PolarHBondContact O-N 2.74Å; H111-A113 VanDerWaalsContact O-N 3.11Å; A113-E115 PolarHBondContact O-N 2.93Å; A113-Q116 HydrophobicContact CB-CB 4.5Å; A113-Q116 PolarHBondContact O-N 3.06Å; A113-A117 WeakPolarHBondContact O-CB 3.39Å; A113-A117 PolarHBondContact O-N 3.01Å; A113-P142 HydrophobicContact CB-CB 3.76Å; A113-P142 WeakPolarHBondContact CB-O 3.32Å; A113-K143 HydrophobicContact CB-CG 4.37Å; A113-W146 HydrophobicContact CB-CB 3.99Å; A113-W146 HydrophobicContact CB-CG 4.5Å
114A93.9Very high96.1Very high36 Ų3637.1 Ų37.130%0.29820%0.202SC..Hα-helixtrans-55.4-50.1-178.800000112.5H111 R112 Q116 A117 D118H111-A114 PolarHBondContact O-N 2.95Å; R112-A114 PolarHBondContact O-N 3.1Å; A114-Q116 VanDerWaalsContact C-N 3.34Å; A114-Q116 PolarHBondContact O-N 3.2Å; A114-A117 WeakPolarHBondContact O-CB 3.35Å; A114-A117 PolarHBondContact O-N 3.34Å; A114-D118 PolarHBondContact O-N 2.9Å
115E97Very high96Very high124 Ų12438.1 Ų38.158%0.57921%0.207SC*.Hα-helixtrans-63.2-40.8-179.6-172-168.8150.200111.9A113 A117 D118 R119A113-E115 PolarHBondContact O-N 2.93Å; E115-A117 VanDerWaalsContact C-N 3.34Å; E115-D118 PolarHBondContact O-N 2.93Å; E115-R119 WeakPolarHBondContact O-CB 3.38Å; E115-R119 WeakPolarHBondContact O-CG 3.4Å; E115-R119 PolarHBondContact O-N 3.14Å
116Q98.4Very high95.8Very high6 Ų645.7 Ų45.73%0.02824%0.235CC..Hα-helixtrans-65.6-39.2177.5-70.873.62100111.1A113 A114 R119 I120 P142 L145 W146 E149A113-Q116 HydrophobicContact CB-CB 4.5Å; A113-Q116 PolarHBondContact O-N 3.06Å; A114-Q116 VanDerWaalsContact C-N 3.34Å; A114-Q116 PolarHBondContact O-N 3.2Å; Q116-R119 PolarHBondContact O-N 3.43Å; Q116-I120 WeakPolarHBondContact O-CB 3.49Å; Q116-I120 WeakPolarHBondContact O-CD1 3.5Å; Q116-I120 WeakPolarHBondContact O-CG1 3.37Å; Q116-I120 PolarHBondContact O-N 3.33Å; Q116-P142 HydrophobicContact CB-CB 4.23Å; Q116-L145 HydrophobicContact CB-CB 4.22Å; Q116-L145 HydrophobicContact CB-CD2 3.94Å; Q116-L145 HydrophobicContact CB-CG 4.2Å; Q116-L145 HydrophobicContact CG-CB 3.96Å; Q116-L145 HydrophobicContact CG-CD2 3.81Å; Q116-L145 HydrophobicContact CG-CG 3.66Å; Q116-W146 HydrophobicContact CG-CB 4.28Å; Q116-E149 PolarHBondContact NE2-OE2 3.41Å
117A95.6Very high95.5Very high3 Ų345.7 Ų45.73%0.02524%0.235CC..Hα-helixtrans-63.8-42.6176.400000112A113 A114 E115 I120 T121 Q137 P142A113-A117 WeakPolarHBondContact O-CB 3.39Å; A113-A117 PolarHBondContact O-N 3.01Å; A114-A117 WeakPolarHBondContact O-CB 3.35Å; A114-A117 PolarHBondContact O-N 3.34Å; E115-A117 VanDerWaalsContact C-N 3.34Å; A117-I120 PolarHBondContact O-N 2.8Å; A117-T121 WeakPolarHBondContact O-CB 3.37Å; A117-T121 PolarHBondContact O-N 3.49Å; A117-T121 PolarHBondContact O-OG1 3.32Å; A117-Q137 HydrophobicContact CB-CB 3.84Å; A117-P142 HydrophobicContact CB-CB 4Å; A117-P142 HydrophobicContact CB-CG 3.89Å
118D95Very high95.1Very high104 Ų10446 Ų4656%0.55624%0.237SC*.Hα-helixtrans-62.4-46.6174.5-74.2-18.3000111.2A114 E115 I120 T121 N122A114-D118 PolarHBondContact O-N 2.9Å; E115-D118 PolarHBondContact O-N 2.93Å; D118-I120 PolarHBondContact O-N 2.84Å; D118-T121 PolarHBondContact O-N 3.25Å; D118-N122 WeakPolarHBondContact O-CB 3.43Å; D118-N122 PolarHBondContact O-N 3.33Å; D118-N122 PolarHBondContact O-ND2 2.88Å
119R97.5Very high94.8Very high110 Ų11049 Ų4942%0.41526%0.256SS..Hα-helixtrans-60.1-44.8176.5-7717157-154.9-7.7112.2E115 Q116 N122 T123 E149E115-R119 WeakPolarHBondContact O-CB 3.38Å; E115-R119 WeakPolarHBondContact O-CG 3.4Å; E115-R119 PolarHBondContact O-N 3.14Å; Q116-R119 PolarHBondContact O-N 3.43Å; R119-N122 PolarHBondContact O-N 3.37Å; R119-T123 PolarHBondContact O-N 3.12Å; R119-E149 IonicContact CZ-OE1 2.87Å; R119-E149 IonicContact NH1-OE1 2.93Å; R119-E149 PolarHBondContact NH1-OE1 2.93Å; R119-E149 IonicContact NH1-OE2 2.8Å; R119-E149 PolarHBondContact NH1-OE2 3.12Å; R119-E149 IonicContact NH2-OE1 3.24Å; R119-E149 PolarHBondContact NH2-OE1 3.26Å
120I97.6Very high94.6Very high2 Ų249.7 Ų49.71%0.0126%0.257CS..Hα-helixtrans-63.3-44.1177-71.7167.2000110.5Q116 A117 D118 N122 T123 M135 P141 P142 L145 F200 V204Q116-I120 WeakPolarHBondContact O-CB 3.49Å; Q116-I120 WeakPolarHBondContact O-CD1 3.5Å; Q116-I120 WeakPolarHBondContact O-CG1 3.37Å; Q116-I120 PolarHBondContact O-N 3.33Å; A117-I120 PolarHBondContact O-N 2.8Å; D118-I120 PolarHBondContact O-N 2.84Å; I120-N122 VanDerWaalsContact C-N 3.33Å; I120-N122 PolarHBondContact O-N 2.81Å; I120-T123 WeakPolarHBondContact O-CB 3.4Å; I120-T123 WeakPolarHBondContact O-CG2 3.24Å; I120-T123 PolarHBondContact O-N 2.99Å; I120-T123 PolarHBondContact O-OG1 2.99Å; I120-M135 HydrophobicContact CG2-CB 4.11Å; I120-M135 HydrophobicContact CG2-CE 3.96Å; I120-M135 HydrophobicContact CG2-CG 4.1Å; I120-P141 HydrophobicContact CD1-CB 4.26Å; I120-P142 HydrophobicContact CD1-CB 4.28Å; I120-P142 HydrophobicContact CD1-CG 3.9Å; I120-L145 HydrophobicContact CD1-CD2 4.23Å; I120-L145 HydrophobicContact CG1-CD2 4.32Å; I120-F200 HydrophobicContact CG2-CE2 3.94Å; I120-F200 HydrophobicContact CG2-CZ 4.1Å; I120-V204 HydrophobicContact CB-CG1 4.45Å; I120-V204 HydrophobicContact CG1-CB 4.08Å; I120-V204 HydrophobicContact CG1-CG1 3.81Å; I120-V204 HydrophobicContact CG2-CG1 4.24Å
121T94.6Very high94.2Very high25 Ų2549.9 Ų49.915%0.15326%0.259CS..Hα-helixtrans-60.3-43.4177.3-62.70000111.3A117 D118 T123 G124 L128 V134 M135A117-T121 WeakPolarHBondContact O-CB 3.37Å; A117-T121 PolarHBondContact O-N 3.49Å; A117-T121 PolarHBondContact O-OG1 3.32Å; D118-T121 PolarHBondContact O-N 3.25Å; T121-T123 PolarHBondContact O-N 2.9Å; T121-T123 VanDerWaalsContact O-N 3.12Å; T121-G124 PolarHBondContact O-N 3.28Å; T121-G124 VanDerWaalsContact O-N 3.12Å; T121-L128 WeakPolarHBondContact O-CD1 3.25Å; T121-V134 HydrophobicContact CG2-CB 4.37Å; T121-V134 HydrophobicContact CG2-CG1 4.2Å; T121-V134 HydrophobicContact CG2-CG2 4.32Å; T121-M135 PolarHBondContact OG1-N 3.46Å
122N96.2Very high93.5Very high137 Ų13749.4 Ų49.473%0.73326%0.261SS*.Hα-helixtrans-67.3-11.1-179.9-71.8-34.3000114.4D118 R119 I120 G124D118-N122 WeakPolarHBondContact O-CB 3.43Å; D118-N122 PolarHBondContact O-N 3.33Å; D118-N122 PolarHBondContact O-ND2 2.88Å; R119-N122 PolarHBondContact O-N 3.37Å; I120-N122 VanDerWaalsContact C-N 3.33Å; I120-N122 PolarHBondContact O-N 2.81Å; N122-G124 PolarHBondContact O-N 3.33Å
123T96.9Very high92.8Very high43 Ų4350.2 Ų50.226%0.26428%0.275SS..THydrogen-bonded Turntrans-66.6-23.3171.568.10000112.8R119 I120 T121 H125 I203 V204R119-T123 PolarHBondContact O-N 3.12Å; I120-T123 WeakPolarHBondContact O-CB 3.4Å; I120-T123 WeakPolarHBondContact O-CG2 3.24Å; I120-T123 PolarHBondContact O-N 2.99Å; I120-T123 PolarHBondContact O-OG1 2.99Å; T121-T123 PolarHBondContact O-N 2.9Å; T121-T123 VanDerWaalsContact O-N 3.12Å; T123-H125 PolarHBondContact O-N 2.87Å; T123-H125 WeakPolarHBondContact OG1-CB 3.4Å; T123-H125 PolarHBondContact OG1-N 3.28Å; T123-I203 HydrophobicContact CG2-CG2 4.45Å; T123-V204 HydrophobicContact CG2-CG1 4.43Å
124G94.9Very high92.3Very high62 Ų6253 Ų5364%0.63929%0.292SS*.  trans61.219.5-173.800000113.7T121 N122T121-G124 PolarHBondContact O-N 3.28Å; T121-G124 VanDerWaalsContact O-N 3.12Å; N122-G124 PolarHBondContact O-N 3.33Å
125H96.5Very high92.1Very high21 Ų2151.5 Ų51.510%0.09728%0.279CS..  trans-63.6142.8-174.4-167-91.5000111.8T123 V127 L128 D197 S199 F200T123-H125 PolarHBondContact O-N 2.87Å; T123-H125 WeakPolarHBondContact OG1-CB 3.4Å; T123-H125 PolarHBondContact OG1-N 3.28Å; H125-V127 PolarHBondContact ND1-N 3.08Å; H125-V127 PolarHBondContact O-N 3.31Å; H125-L128 VanDerWaalsContact O-CB 3.26Å; H125-L128 WeakPolarHBondContact O-CB 3.31Å; H125-L128 VanDerWaalsContact O-CG 3.31Å; H125-L128 WeakPolarHBondContact O-CG 3.26Å; H125-L128 PolarHBondContact O-N 3.09Å; H125-D197 IonicContact CE1-OD2 3.7Å; H125-D197 PolarHBondContact CE1-OD2 2.99Å; H125-D197 VanDerWaalsContact CE1-OD2 3.32Å; H125-S199 PolarHBondContact NE2-OG 3.31Å; H125-F200 HydrophobicContact CB-CD2 4.22Å; H125-F200 VanDerWaalsContact CE1-CB 3.47Å; H125-F200 WeakPolarHBondContact CE1-CB 3.29Å; H125-F200 AromaticContact CG-CD2 3.97Å; H125-F200 AromaticContact ND1-CD2 3.71Å; H125-F200 PolarHBondContact NE2-N 3.45Å
126R93.8Very high91.7Very high160 Ų16046.9 Ų46.960%0.60426%0.261SS*.G310 helixtrans-55.8-23-174.166.2178178.2-168.8-5.3115.6L128 N129 D197R126-L128 PolarHBondContact O-N 3.11Å; R126-N129 WeakPolarHBondContact O-CB 3.49Å; R126-N129 PolarHBondContact O-N 3.5Å; R126-N129 PolarHBondContact O-ND2 2.82Å; R126-D197 IonicContact CZ-OD1 2.74Å; R126-D197 IonicContact CZ-OD2 2.78Å; R126-D197 VanDerWaalsContact CZ-OD2 3.24Å; R126-D197 IonicContact NE-OD2 3.78Å; R126-D197 PolarHBondContact NE-OD2 3.18Å; R126-D197 IonicContact NH2-OD1 2.94Å; R126-D197 PolarHBondContact NH2-OD1 3.5Å; R126-D197 IonicContact NH2-OD2 2.79Å; R126-D197 PolarHBondContact NH2-OD2 3.36Å
127V93.2Very high91.3Very high0 Ų049 Ų490%027%0.27CS..G310 helixtrans-65-26.4176.4-57.60000112.2H125 N129 R130 T189 D197 F200H125-V127 PolarHBondContact ND1-N 3.08Å; H125-V127 PolarHBondContact O-N 3.31Å; V127-N129 PolarHBondContact O-N 3.45Å; V127-R130 PolarHBondContact O-N 3.28Å; V127-R130 VanDerWaalsContact O-N 3.09Å; V127-T189 HydrophobicContact CB-CG2 4.4Å; V127-T189 HydrophobicContact CG2-CG2 4.13Å; V127-D197 HydrophobicContact CG1-CB 4.13Å; V127-F200 HydrophobicContact CG1-CB 4.16Å; V127-F200 HydrophobicContact CG1-CG 4.27Å; V127-F200 HydrophobicContact CG2-CB 4.47Å; V127-F200 HydrophobicContact CG2-CD1 4.38Å; V127-F200 HydrophobicContact CG2-CD2 3.37Å; V127-F200 HydrophobicContact CG2-CE2 3.55Å; V127-F200 HydrophobicContact CG2-CG 3.81Å; V127-F200 HydrophobicContact CG2-CZ 4.15Å
128L90.6Very high91.2Very high5 Ų551 Ų513%0.02628%0.279CS..G310 helixtrans-61.6-26.8178.5-63175.2000112.2T121 H125 R126 R130 V131 G132 G133 M135T121-L128 WeakPolarHBondContact O-CD1 3.25Å; H125-L128 VanDerWaalsContact O-CB 3.26Å; H125-L128 WeakPolarHBondContact O-CB 3.31Å; H125-L128 VanDerWaalsContact O-CG 3.31Å; H125-L128 WeakPolarHBondContact O-CG 3.26Å; H125-L128 PolarHBondContact O-N 3.09Å; R126-L128 PolarHBondContact O-N 3.11Å; L128-R130 PolarHBondContact O-N 3.32Å; L128-R130 VanDerWaalsContact O-N 3.08Å; L128-V131 HydrophobicContact CD2-CG2 4.11Å; L128-V131 WeakPolarHBondContact O-CG2 3.37Å; L128-V131 PolarHBondContact O-N 3.21Å; L128-G132 PolarHBondContact O-N 3.02Å; L128-G133 WeakPolarHBondContact O-CA 3.48Å; L128-G133 PolarHBondContact O-N 2.88Å; L128-M135 HydrophobicContact CD2-CB 3.95Å; L128-M135 HydrophobicContact CD2-CE 3.75Å
129N87.6Confident91.2Very high111 Ų11146.2 Ų46.259%0.59425%0.253SS*.G310 helixtrans-59.2-22.8176.5-64.2-13.7000113R126 V127R126-N129 WeakPolarHBondContact O-CB 3.49Å; R126-N129 PolarHBondContact O-N 3.5Å; R126-N129 PolarHBondContact O-ND2 2.82Å; V127-N129 PolarHBondContact O-N 3.45Å
130R86.6Confident91.2Very high48 Ų4841 Ų4118%0.18123%0.234CC..G310 helixtrans-92.6-11.9179.1-68.9179.1-85.1129.3-6.6113.5V127 L128 T189 Y190 G308 Y310V127-R130 PolarHBondContact O-N 3.28Å; V127-R130 VanDerWaalsContact O-N 3.09Å; L128-R130 PolarHBondContact O-N 3.32Å; L128-R130 VanDerWaalsContact O-N 3.08Å; R130-T189 PolarHBondContact NH1-O 3.23Å; R130-T189 PolarHBondContact NH2-O 3.49Å; R130-Y190 PolarHBondContact NH1-O 2.95Å; R130-Y190 VanDerWaalsContact NH1-O 3.1Å; R130-G308 WeakPolarHBondContact O-CA 3.41Å; R130-G308 PolarHBondContact O-N 3.3Å; R130-Y310 HydrophobicContact CB-CE1 4.19Å; R130-Y310 WeakPolarHBondContact O-CE1 3.31Å; R130-Y310 VanDerWaalsContact O-CZ 3.29Å; R130-Y310 PolarHBondContact O-OH 3.21Å; R130-Y310 VanDerWaalsContact O-OH 3.06Å
131V85.3Confident91.3Very high4 Ų440.9 Ų40.92%0.02423%0.233CC..THydrogen-bonded Turntrans-113.623.3179.5-62.50000111.8L128 M135 M139 W307 Y310L128-V131 HydrophobicContact CD2-CG2 4.11Å; L128-V131 WeakPolarHBondContact O-CG2 3.37Å; L128-V131 PolarHBondContact O-N 3.21Å; V131-M135 HydrophobicContact CG2-CE 4.37Å; V131-M135 HydrophobicContact CG2-SD 4.3Å; V131-M139 HydrophobicContact CB-CE 3.98Å; V131-M139 HydrophobicContact CB-SD 4.23Å; V131-M139 HydrophobicContact CG1-CE 3.79Å; V131-M139 HydrophobicContact CG1-SD 3.89Å; V131-W307 VanDerWaalsContact C-CD1 3.42Å; V131-W307 PolarHBondContact O-NE1 3.01Å; V131-Y310 WeakPolarHBondContact CG1-OH 3.35Å
132G78.1Confident91.5Very high19 Ų1939.7 Ų39.720%0.19623%0.226CC..THydrogen-bonded Turntrans78.717.3178.100000114.9L128 V134L128-G132 PolarHBondContact O-N 3.02Å; G132-V134 VanDerWaalsContact C-N 3.28Å; G132-V134 PolarHBondContact O-N 3.34Å
133G83.4Confident91.6Very high35 Ų3533.2 Ų33.236%0.36119%0.191SC..THydrogen-bonded Turntrans86.4-17.6175.700000115.3L128L128-G133 WeakPolarHBondContact O-CA 3.48Å; L128-G133 PolarHBondContact O-N 2.88Å
134V85.3Confident91.7Very high58 Ų5831.1 Ų31.135%0.35218%0.179SC..SBendtrans-125.5124.5179.4179.60000109.2T121 G132T121-V134 HydrophobicContact CG2-CB 4.37Å; T121-V134 HydrophobicContact CG2-CG1 4.2Å; T121-V134 HydrophobicContact CG2-CG2 4.32Å; G132-V134 VanDerWaalsContact C-N 3.28Å; G132-V134 PolarHBondContact O-N 3.34Å
135M90.6Very high91.9Very high5 Ų528.4 Ų28.43%0.02515%0.149CC..  trans-76.7125.9177.5-170.268.974.300109.6I120 T121 L128 V131 M139 P142 T189 F200I120-M135 HydrophobicContact CG2-CB 4.11Å; I120-M135 HydrophobicContact CG2-CE 3.96Å; I120-M135 HydrophobicContact CG2-CG 4.1Å; T121-M135 PolarHBondContact OG1-N 3.46Å; L128-M135 HydrophobicContact CD2-CB 3.95Å; L128-M135 HydrophobicContact CD2-CE 3.75Å; V131-M135 HydrophobicContact CG2-CE 4.37Å; V131-M135 HydrophobicContact CG2-SD 4.3Å; M135-M139 HydrophobicContact CG-SD 4.5Å; M135-M139 HydrophobicContact SD-CB 4.07Å; M135-M139 HydrophobicContact SD-CG 4.35Å; M135-M139 HydrophobicContact SD-SD 3.37Å; M135-P142 HydrophobicContact CG-CG 3.73Å; M135-T189 HydrophobicContact CE-CG2 3.75Å; M135-F200 HydrophobicContact CE-CE2 4.41Å; M135-F200 HydrophobicContact CE-CZ 3.98Å
136S88.9Confident92Very high27 Ų2728.5 Ų28.519%0.18915%0.149CC..  trans-74.8138.5172.31770000110.7E138 M139S136-E138 PolarHBondContact O-N 2.97Å; S136-E138 VanDerWaalsContact O-N 3.13Å; S136-E138 WeakPolarHBondContact OG-CB 3.05Å; S136-E138 PolarHBondContact OG-N 2.96Å; S136-E138 VanDerWaalsContact OG-N 3.14Å; S136-M139 WeakPolarHBondContact O-CB 3.28Å; S136-M139 PolarHBondContact O-N 3.22Å
137Q90.3Very high92.2Very high49 Ų4920.9 Ų20.923%0.22912%0.12CC..THydrogen-bonded Turntrans-59.2-18169.466.9-160.4-0.600113.9H111 A117 M139H111-Q137 HydrophobicContact CB-CG 4.28Å; H111-Q137 PolarHBondContact CD2-NE2 3.35Å; H111-Q137 VanDerWaalsContact CD2-NE2 3.3Å; H111-Q137 PolarHBondContact CE1-NE2 3.24Å; H111-Q137 PolarHBondContact ND1-NE2 2.96Å; A117-Q137 HydrophobicContact CB-CB 3.84Å; Q137-M139 VanDerWaalsContact C-N 3.32Å
138E91.9Very high92.5Very high47 Ų4722.5 Ų22.522%0.2213%0.127CC..THydrogen-bonded Turntrans-79.8-14.4176.7-59.9-177.8168.100112.7W108 H111 S136 K143W108-E138 VanDerWaalsContact O-CB 3.28Å; W108-E138 WeakPolarHBondContact O-CB 3.46Å; W108-E138 WeakPolarHBondContact O-CG 3.36Å; H111-E138 IonicContact CD2-OE1 2.86Å; H111-E138 IonicContact CE1-OE1 2.6Å; H111-E138 IonicContact NE2-OE1 3.07Å; H111-E138 PolarHBondContact NE2-OE1 3.26Å; S136-E138 PolarHBondContact O-N 2.97Å; S136-E138 VanDerWaalsContact O-N 3.13Å; S136-E138 WeakPolarHBondContact OG-CB 3.05Å; S136-E138 PolarHBondContact OG-N 2.96Å; S136-E138 VanDerWaalsContact OG-N 3.14Å; E138-K143 WeakPolarHBondContact O-CE 3.3Å; E138-K143 PolarHBondContact O-NZ 3.06Å
139M95.8Very high92.8Very high2 Ų226.2 Ų26.21%0.0114%0.144CC..SBendtrans-77.3165.1175.4-68178.8173.200111.8V131 M135 S136 Q137 P142 K187 W307V131-M139 HydrophobicContact CB-CE 3.98Å; V131-M139 HydrophobicContact CB-SD 4.23Å; V131-M139 HydrophobicContact CG1-CE 3.79Å; V131-M139 HydrophobicContact CG1-SD 3.89Å; M135-M139 HydrophobicContact CG-SD 4.5Å; M135-M139 HydrophobicContact SD-CB 4.07Å; M135-M139 HydrophobicContact SD-CG 4.35Å; M135-M139 HydrophobicContact SD-SD 3.37Å; S136-M139 WeakPolarHBondContact O-CB 3.28Å; S136-M139 PolarHBondContact O-N 3.22Å; Q137-M139 VanDerWaalsContact C-N 3.32Å; M139-P142 WeakPolarHBondContact O-CD 3.36Å; M139-K187 HydrophobicContact CG-CD 4.4Å; M139-W307 HydrophobicContact CE-CD2 3.87Å; M139-W307 HydrophobicContact CE-CE3 4Å; M139-W307 HydrophobicContact CE-CH2 3.96Å; M139-W307 HydrophobicContact CE-CZ2 3.77Å; M139-W307 HydrophobicContact CE-CZ3 4.08Å
140Q98.5Very high93.3Very high0 Ų024.6 Ų24.60%014%0.136CC..Hα-helixtrans-75.1-38.4-170.1-46.5-49.8-4.800115.2C81 K143 L144 D164 K187 W188C81-Q140 PolarHBondContact O-NE2 3.26Å; Q140-K143 PolarHBondContact O-N 3.17Å; Q140-K143 VanDerWaalsContact O-N 3.11Å; Q140-L144 VanDerWaalsContact O-CG 3.31Å; Q140-L144 WeakPolarHBondContact O-CG 3.13Å; Q140-L144 PolarHBondContact O-N 3.34Å; Q140-D164 PolarHBondContact NE2-OD2 3.29Å; Q140-K187 HydrophobicContact CG-CB 4.16Å; Q140-K187 PolarHBondContact N-O 3.06Å; Q140-K187 VanDerWaalsContact N-O 3.1Å; Q140-W188 HydrophobicContact CB-CD2 3.86Å; Q140-W188 HydrophobicContact CB-CE3 4.12Å; Q140-W188 HydrophobicContact CB-CG 4.29Å; Q140-W188 HydrophobicContact CB-CH2 4.27Å; Q140-W188 HydrophobicContact CB-CZ2 4.03Å; Q140-W188 HydrophobicContact CB-CZ3 4.32Å; Q140-W188 HydrophobicContact CG-CD2 3.85Å; Q140-W188 HydrophobicContact CG-CG 4.12Å; Q140-W188 HydrophobicContact CG-CH2 4.4Å; Q140-W188 HydrophobicContact CG-CZ2 3.68Å; Q140-W188 VanDerWaalsContact CG-NE1 3.33Å
141P98.4Very high93.9Very high0 Ų022.6 Ų22.60%013%0.128CC..Hα-helixtrans-57.8-45.1-178.9-21.830.4000114.3I120 K143 L144 L145 K187 T189 F200 W201I120-P141 HydrophobicContact CD1-CB 4.26Å; P141-K143 PolarHBondContact O-N 3.09Å; P141-L144 PolarHBondContact O-N 3.16Å; P141-L145 PolarHBondContact O-N 3.25Å; P141-K187 WeakPolarHBondContact CD-O 3.44Å; P141-T189 HydrophobicContact CG-CG2 4.2Å; P141-F200 HydrophobicContact CB-CE1 4.02Å; P141-F200 HydrophobicContact CB-CZ 3.99Å; P141-F200 HydrophobicContact CG-CE1 4.02Å; P141-F200 HydrophobicContact CG-CZ 4.22Å; P141-W201 HydrophobicContact CB-CH2 4.3Å; P141-W201 HydrophobicContact CB-CZ3 4.1Å; P141-W201 HydrophobicContact CG-CH2 4.01Å; P141-W201 HydrophobicContact CG-CZ3 4.32Å
142P98.6Very high94.5Very high0 Ų027.8 Ų27.80%015%0.151CC..Hα-helixtrans-58.3-43.8172.3-25.434.6000113.4A113 Q116 A117 I120 M135 M139 L144 L145 W146A113-P142 HydrophobicContact CB-CB 3.76Å; A113-P142 WeakPolarHBondContact CB-O 3.32Å; Q116-P142 HydrophobicContact CB-CB 4.23Å; A117-P142 HydrophobicContact CB-CB 4Å; A117-P142 HydrophobicContact CB-CG 3.89Å; I120-P142 HydrophobicContact CD1-CB 4.28Å; I120-P142 HydrophobicContact CD1-CG 3.9Å; M135-P142 HydrophobicContact CG-CG 3.73Å; M139-P142 WeakPolarHBondContact O-CD 3.36Å; P142-L144 PolarHBondContact O-N 3.02Å; P142-L145 PolarHBondContact O-N 3.31Å; P142-W146 WeakPolarHBondContact O-CB 3.31Å; P142-W146 PolarHBondContact O-N 3.17Å
143K98.8Very high95.3Very high1 Ų132.8 Ų32.80%0.00417%0.173CC..Hα-helixtrans-62.6-42.6178.7-70.1171.9177.5170.10111.8L83 V106 M107 W108 A113 E138 Q140 P141 W146 L147L83-K143 HydrophobicContact CD2-CB 3.92Å; V106-K143 HydrophobicContact CG1-CD 3.98Å; V106-K143 HydrophobicContact CG1-CG 4.29Å; M107-K143 PolarHBondContact O-NZ 3.01Å; W108-K143 PolarHBondContact O-NZ 2.65Å; W108-K143 VanDerWaalsContact O-NZ 3.08Å; A113-K143 HydrophobicContact CB-CG 4.37Å; E138-K143 WeakPolarHBondContact O-CE 3.3Å; E138-K143 PolarHBondContact O-NZ 3.06Å; Q140-K143 PolarHBondContact O-N 3.17Å; Q140-K143 VanDerWaalsContact O-N 3.11Å; P141-K143 PolarHBondContact O-N 3.09Å; K143-W146 PolarHBondContact O-N 2.93Å; K143-L147 WeakPolarHBondContact O-CG 3.39Å; K143-L147 PolarHBondContact O-N 2.89Å
144L98.8Very high96Very high0 Ų033 Ų330%017%0.169CC..Hα-helixtrans-62.6-46.1175.9-68.4167.6000111.5L83 Q140 P141 P142 W146 L147 K148 W156 F162 W188 W201 L206 L209L83-L144 HydrophobicContact CD1-CD2 4.34Å; L83-L144 HydrophobicContact CD2-CD2 3.99Å; L83-L144 HydrophobicContact CD2-CG 4.33Å; Q140-L144 VanDerWaalsContact O-CG 3.31Å; Q140-L144 WeakPolarHBondContact O-CG 3.13Å; Q140-L144 PolarHBondContact O-N 3.34Å; P141-L144 PolarHBondContact O-N 3.16Å; P142-L144 PolarHBondContact O-N 3.02Å; L144-W146 VanDerWaalsContact C-N 3.31Å; L144-W146 PolarHBondContact O-N 3.33Å; L144-L147 PolarHBondContact O-N 3.27Å; L144-K148 PolarHBondContact O-N 2.97Å; L144-W156 HydrophobicContact CB-CH2 4.42Å; L144-W156 HydrophobicContact CB-CZ3 4.09Å; L144-W156 HydrophobicContact CD2-CZ3 4.08Å; L144-W156 WeakPolarHBondContact O-CZ3 3.42Å; L144-F162 HydrophobicContact CD2-CB 4.12Å; L144-F162 HydrophobicContact CD2-CD1 3.43Å; L144-F162 VanDerWaalsContact CD2-CD1 3.43Å; L144-F162 HydrophobicContact CD2-CD2 3.94Å; L144-F162 HydrophobicContact CD2-CE1 3.7Å; L144-F162 HydrophobicContact CD2-CE2 4.18Å; L144-F162 HydrophobicContact CD2-CG 3.57Å; L144-F162 HydrophobicContact CD2-CZ 4.06Å; L144-W188 HydrophobicContact CD1-CE3 4.25Å; L144-W188 HydrophobicContact CD1-CH2 4.49Å; L144-W188 HydrophobicContact CD1-CZ3 3.74Å; L144-W201 HydrophobicContact CD1-CH2 4.16Å; L144-W201 HydrophobicContact CD1-CZ3 4.08Å; L144-L206 HydrophobicContact CB-CD1 3.95Å; L144-L209 HydrophobicContact CD1-CD1 4.05Å
145L98.8Very high96.6Very high5 Ų530.3 Ų30.33%0.02615%0.153CC..Hα-helixtrans-61.1-42176.6-176.756.6000111.3Q116 I120 P141 P142 L147 K148 E149 V204 L206Q116-L145 HydrophobicContact CB-CB 4.22Å; Q116-L145 HydrophobicContact CB-CD2 3.94Å; Q116-L145 HydrophobicContact CB-CG 4.2Å; Q116-L145 HydrophobicContact CG-CB 3.96Å; Q116-L145 HydrophobicContact CG-CD2 3.81Å; Q116-L145 HydrophobicContact CG-CG 3.66Å; I120-L145 HydrophobicContact CD1-CD2 4.23Å; I120-L145 HydrophobicContact CG1-CD2 4.32Å; P141-L145 PolarHBondContact O-N 3.25Å; P142-L145 PolarHBondContact O-N 3.31Å; L145-L147 PolarHBondContact O-N 3.06Å; L145-K148 PolarHBondContact O-N 3.33Å; L145-E149 HydrophobicContact CD1-CG 4.15Å; L145-E149 WeakPolarHBondContact O-CB 3.26Å; L145-E149 WeakPolarHBondContact O-CG 3.39Å; L145-E149 PolarHBondContact O-N 2.88Å; L145-V204 WeakPolarHBondContact CD1-O 3.33Å; L145-L206 HydrophobicContact CB-CD1 4.3Å; L145-L206 HydrophobicContact CB-CD2 4.47Å; L145-L206 HydrophobicContact CD1-CD2 4.27Å; L145-L206 HydrophobicContact CD1-CG 4.45Å
146W98.7Very high96.9Very high22 Ų2230.2 Ų30.28%0.08315%0.152CC..Hα-helixtrans-61-44.5175.5-173.398.9000111.8H44 R112 A113 Q116 P142 K143 L144 K148 E149 N150 L151H44-W146 AromaticContact CE1-CZ2 3.75Å; R112-W146 HydrophobicContact CB-CD2 4.39Å; R112-W146 HydrophobicContact CB-CZ2 4.4Å; R112-W146 VanDerWaalsContact CD-CD2 3.4Å; R112-W146 HydrophobicContact CG-CD2 3.72Å; R112-W146 HydrophobicContact CG-CE3 4.17Å; R112-W146 HydrophobicContact CG-CG 3.87Å; R112-W146 HydrophobicContact CG-CZ2 4.45Å; R112-W146 VanDerWaalsContact NH1-CZ3 3.34Å; R112-W146 PolarHBondContact O-NE1 2.82Å; A113-W146 HydrophobicContact CB-CB 3.99Å; A113-W146 HydrophobicContact CB-CG 4.5Å; Q116-W146 HydrophobicContact CG-CB 4.28Å; P142-W146 WeakPolarHBondContact O-CB 3.31Å; P142-W146 PolarHBondContact O-N 3.17Å; K143-W146 PolarHBondContact O-N 2.93Å; L144-W146 VanDerWaalsContact C-N 3.31Å; L144-W146 PolarHBondContact O-N 3.33Å; W146-K148 VanDerWaalsContact C-N 3.35Å; W146-K148 PolarHBondContact O-N 3.23Å; W146-E149 PolarHBondContact O-N 2.9Å; W146-N150 HydrophobicContact CD2-CB 4.09Å; W146-N150 HydrophobicContact CE3-CB 4.17Å; W146-N150 HydrophobicContact CH2-CB 3.92Å; W146-N150 HydrophobicContact CZ2-CB 3.84Å; W146-N150 HydrophobicContact CZ3-CB 4.09Å; W146-N150 PolarHBondContact NE1-ND2 3.48Å; W146-N150 VanDerWaalsContact O-CB 3.31Å; W146-N150 WeakPolarHBondContact O-CB 3.2Å; W146-N150 PolarHBondContact O-N 3.26Å; W146-N150 PolarHBondContact O-ND2 3.05Å; W146-L151 HydrophobicContact CH2-CD1 4.33Å; W146-L151 HydrophobicContact CH2-CG 4.31Å; W146-L151 HydrophobicContact CZ3-CD1 3.76Å; W146-L151 HydrophobicContact CZ3-CG 3.91Å
147L98.7Very high97.4Very high0 Ų033.1 Ų33.10%017%0.166CC..Hα-helixtrans-62.6-40.9177.4-69.9174.1000111.7L83 V85 V95 K143 L144 L145 L151 W156 F162L83-L147 HydrophobicContact CD2-CD1 3.84Å; V85-L147 HydrophobicContact CG2-CD1 4.07Å; V95-L147 HydrophobicContact CB-CD2 4.06Å; V95-L147 HydrophobicContact CG1-CD1 4.43Å; V95-L147 HydrophobicContact CG1-CD2 4.16Å; K143-L147 WeakPolarHBondContact O-CG 3.39Å; K143-L147 PolarHBondContact O-N 2.89Å; L144-L147 PolarHBondContact O-N 3.27Å; L145-L147 PolarHBondContact O-N 3.06Å; L147-L151 HydrophobicContact CD2-CD1 3.86Å; L147-L151 CarbonylContact O-C 3.59Å; L147-L151 VanDerWaalsContact O-C 3.23Å; L147-L151 WeakPolarHBondContact O-CA 3.37Å; L147-L151 PolarHBondContact O-N 3.48Å; L147-W156 HydrophobicContact CB-CE3 4.36Å; L147-F162 HydrophobicContact CD1-CE1 4.44Å
148K98.6Very high97.7Very high35 Ų3536.8 Ų36.815%0.15218%0.181CC..Hα-helixtrans-62.5-41.7176.2-173.9172.8-174171.10112.4L144 L145 W146 K152 W156 G205 L206 E207 D208L144-K148 PolarHBondContact O-N 2.97Å; L145-K148 PolarHBondContact O-N 3.33Å; W146-K148 VanDerWaalsContact C-N 3.35Å; W146-K148 PolarHBondContact O-N 3.23Å; K148-K152 WeakPolarHBondContact O-CB 3.42Å; K148-W156 HydrophobicContact CB-CD2 3.62Å; K148-W156 HydrophobicContact CB-CE3 3.8Å; K148-W156 HydrophobicContact CB-CG 4.04Å; K148-W156 HydrophobicContact CB-CH2 4.43Å; K148-W156 HydrophobicContact CB-CZ2 4.29Å; K148-W156 HydrophobicContact CB-CZ3 4.2Å; K148-W156 HydrophobicContact CD-CD2 4.35Å; K148-W156 HydrophobicContact CD-CZ2 3.83Å; K148-W156 HydrophobicContact CG-CD2 3.88Å; K148-W156 HydrophobicContact CG-CG 4.02Å; K148-W156 HydrophobicContact CG-CZ2 4.28Å; K148-G205 WeakPolarHBondContact CD-O 3.34Å; K148-G205 WeakPolarHBondContact CE-O 3.41Å; K148-G205 PolarHBondContact NZ-O 3.44Å; K148-L206 HydrophobicContact CB-CD2 4.28Å; K148-L206 HydrophobicContact CD-CD2 3.63Å; K148-E207 IonicContact NZ-OE2 2.78Å; K148-D208 WeakPolarHBondContact CE-OD2 3.37Å; K148-D208 IonicContact NZ-OD1 3.98Å; K148-D208 PolarHBondContact NZ-OD1 2.8Å; K148-D208 IonicContact NZ-OD2 2.69Å; K148-D208 PolarHBondContact NZ-OD2 2.77Å; K148-D208 VanDerWaalsContact NZ-OD2 3.1Å
149E98.4Very high98Very high82 Ų8234.6 Ų34.638%0.38317%0.171SC..Hα-helixtrans-78.2-37.2-177-70.3177161.900112.6Q116 R119 L145 W146Q116-E149 PolarHBondContact NE2-OE2 3.41Å; R119-E149 IonicContact CZ-OE1 2.87Å; R119-E149 IonicContact NH1-OE1 2.93Å; R119-E149 PolarHBondContact NH1-OE1 2.93Å; R119-E149 IonicContact NH1-OE2 2.8Å; R119-E149 PolarHBondContact NH1-OE2 3.12Å; R119-E149 IonicContact NH2-OE1 3.24Å; R119-E149 PolarHBondContact NH2-OE1 3.26Å; L145-E149 HydrophobicContact CD1-CG 4.15Å; L145-E149 WeakPolarHBondContact O-CB 3.26Å; L145-E149 WeakPolarHBondContact O-CG 3.39Å; L145-E149 PolarHBondContact O-N 2.88Å; W146-E149 PolarHBondContact O-N 2.9Å
150N98.1Very high98.1Very high77 Ų7735.6 Ų35.641%0.41218%0.179SC..Hα-helixtrans-106.7-24.8-168.7-65.1-88.5000114.2W146W146-N150 HydrophobicContact CD2-CB 4.09Å; W146-N150 HydrophobicContact CE3-CB 4.17Å; W146-N150 HydrophobicContact CH2-CB 3.92Å; W146-N150 HydrophobicContact CZ2-CB 3.84Å; W146-N150 HydrophobicContact CZ3-CB 4.09Å; W146-N150 PolarHBondContact NE1-ND2 3.48Å; W146-N150 VanDerWaalsContact O-CB 3.31Å; W146-N150 WeakPolarHBondContact O-CB 3.2Å; W146-N150 PolarHBondContact O-N 3.26Å; W146-N150 PolarHBondContact O-ND2 3.05Å
151L97.9Very high98.1Very high6 Ų636.8 Ų36.83%0.03119%0.185CC..SBendtrans-130.242-176.8-60.7-177.9000111.3V95 Q97 W146 L147 D153 C155 W156V95-L151 WeakPolarHBondContact O-CD1 3.47Å; Q97-L151 HydrophobicContact CG-CD2 3.92Å; W146-L151 HydrophobicContact CH2-CD1 4.33Å; W146-L151 HydrophobicContact CH2-CG 4.31Å; W146-L151 HydrophobicContact CZ3-CD1 3.76Å; W146-L151 HydrophobicContact CZ3-CG 3.91Å; L147-L151 HydrophobicContact CD2-CD1 3.86Å; L147-L151 CarbonylContact O-C 3.59Å; L147-L151 VanDerWaalsContact O-C 3.23Å; L147-L151 WeakPolarHBondContact O-CA 3.37Å; L147-L151 PolarHBondContact O-N 3.48Å; L151-D153 PolarHBondContact O-N 3.01Å; L151-C155 HydrophobicContact CB-CB 3.68Å; L151-C155 HydrophobicContact CD1-CB 4.43Å; L151-C155 WeakPolarHBondContact O-CA 3.19Å; L151-C155 VanDerWaalsContact O-CB 3.25Å; L151-C155 WeakPolarHBondContact O-CB 3.38Å; L151-C155 PolarHBondContact O-N 3.43Å; L151-W156 PolarHBondContact O-N 3.26Å
152K97.3Very high98.2Very high113 Ų11336.8 Ų36.849%0.49119%0.185SC..Iπ-helixtrans-56.9-55-173.3-167172.6-179.5176.60113.3K148 W156 N157K148-K152 WeakPolarHBondContact O-CB 3.42Å; K152-W156 WeakPolarHBondContact O-CB 3.26Å; K152-W156 PolarHBondContact O-N 3.46Å; K152-N157 WeakPolarHBondContact O-CB 3.23Å; K152-N157 VanDerWaalsContact O-CG 3.24Å; K152-N157 PolarHBondContact O-N 2.99Å; K152-N157 PolarHBondContact O-ND2 3.47Å
153D96.7Very high98.2Very high125 Ų12536.8 Ų36.867%0.66819%0.185SC*.Iπ-helixtrans-80.3-34.5-174.1-61.9-35.2000113L151 N157L151-D153 PolarHBondContact O-N 3.01Å; D153-N157 PolarHBondContact OD1-ND2 2.83Å; D153-N157 VanDerWaalsContact OD1-ND2 3.14Å
154S96.4Very high98.2Very high40 Ų4036.8 Ų36.828%0.2819%0.185SC..Iπ-helixtrans-81.9-29.1-177.454.90000113.3
155C98Very high98.2Very high0 Ų036.8 Ų36.80%019%0.185CC..Iπ-helixtrans-124.5-65.6-174.6-173.90000112.3V93 P94 L151 N157 K158 A159V93-C155 HydrophobicContact CG1-CB 4.18Å; P94-C155 WeakPolarHBondContact O-CB 3.3Å; P94-C155 PolarHBondContact O-SG 3.12Å; P94-C155 VanDerWaalsContact O-SG 3.35Å; L151-C155 HydrophobicContact CB-CB 3.68Å; L151-C155 HydrophobicContact CD1-CB 4.43Å; L151-C155 WeakPolarHBondContact O-CA 3.19Å; L151-C155 VanDerWaalsContact O-CB 3.25Å; L151-C155 WeakPolarHBondContact O-CB 3.38Å; L151-C155 PolarHBondContact O-N 3.43Å; C155-N157 PolarHBondContact O-N 3.37Å; C155-K158 PolarHBondContact O-N 3.13Å; C155-A159 WeakPolarHBondContact O-CB 3.17Å; C155-A159 PolarHBondContact O-N 2.94Å
156W98.4Very high98.2Very high3 Ų336.5 Ų36.51%0.01118%0.183CC..Iπ-helixtrans-58-47.5-167-172.5-100.1000114.1L144 L147 K148 L151 K152 K158 A159 F162 L206 D208 L209L144-W156 HydrophobicContact CB-CH2 4.42Å; L144-W156 HydrophobicContact CB-CZ3 4.09Å; L144-W156 HydrophobicContact CD2-CZ3 4.08Å; L144-W156 WeakPolarHBondContact O-CZ3 3.42Å; L147-W156 HydrophobicContact CB-CE3 4.36Å; K148-W156 HydrophobicContact CB-CD2 3.62Å; K148-W156 HydrophobicContact CB-CE3 3.8Å; K148-W156 HydrophobicContact CB-CG 4.04Å; K148-W156 HydrophobicContact CB-CH2 4.43Å; K148-W156 HydrophobicContact CB-CZ2 4.29Å; K148-W156 HydrophobicContact CB-CZ3 4.2Å; K148-W156 HydrophobicContact CD-CD2 4.35Å; K148-W156 HydrophobicContact CD-CZ2 3.83Å; K148-W156 HydrophobicContact CG-CD2 3.88Å; K148-W156 HydrophobicContact CG-CG 4.02Å; K148-W156 HydrophobicContact CG-CZ2 4.28Å; L151-W156 PolarHBondContact O-N 3.26Å; K152-W156 WeakPolarHBondContact O-CB 3.26Å; K152-W156 PolarHBondContact O-N 3.46Å; W156-K158 PolarHBondContact O-N 2.86Å; W156-A159 PolarHBondContact O-N 2.93Å; W156-F162 HydrophobicContact CD2-CZ 4.49Å; W156-F162 HydrophobicContact CE3-CE1 4.41Å; W156-F162 HydrophobicContact CE3-CE2 4.43Å; W156-F162 AromaticContact CE3-CZ 3.68Å; W156-F162 HydrophobicContact CE3-CZ 3.68Å; W156-F162 HydrophobicContact CH2-CE2 4.21Å; W156-F162 HydrophobicContact CH2-CZ 4.22Å; W156-F162 HydrophobicContact CZ3-CE1 4.25Å; W156-F162 AromaticContact CZ3-CE2 3.95Å; W156-F162 HydrophobicContact CZ3-CE2 3.95Å; W156-F162 AromaticContact CZ3-CZ 3.52Å; W156-F162 HydrophobicContact CZ3-CZ 3.52Å; W156-L206 HydrophobicContact CH2-CD2 3.62Å; W156-L206 HydrophobicContact CZ2-CD2 3.93Å; W156-L206 HydrophobicContact CZ3-CD2 4.37Å; W156-D208 WeakPolarHBondContact CZ2-OD1 3.5Å; W156-D208 WeakPolarHBondContact CZ2-OD2 3.5Å; W156-D208 PolarHBondContact NE1-OD2 2.91Å; W156-L209 HydrophobicContact CH2-CD1 4.14Å; W156-L209 HydrophobicContact CH2-CD2 3.69Å; W156-L209 HydrophobicContact CH2-CG 3.97Å; W156-L209 HydrophobicContact CZ2-CD2 3.97Å; W156-L209 HydrophobicContact CZ2-CG 4.22Å
157N97.8Very high98.2Very high89 Ų8935.5 Ų35.548%0.47618%0.18SC..THydrogen-bonded Turntrans-68.1-23.9-179.3-67.4-15.1000112.7K152 D153 C155K152-N157 WeakPolarHBondContact O-CB 3.23Å; K152-N157 VanDerWaalsContact O-CG 3.24Å; K152-N157 PolarHBondContact O-N 2.99Å; K152-N157 PolarHBondContact O-ND2 3.47Å; D153-N157 PolarHBondContact OD1-ND2 2.83Å; D153-N157 VanDerWaalsContact OD1-ND2 3.14Å; C155-N157 PolarHBondContact O-N 3.37Å
158K98Very high98.2Very high125 Ų12535.8 Ų35.854%0.54318%0.181SC..THydrogen-bonded Turntrans-91.5-24.3179.4-59.8-175.3-173.5174.20112.7D87 V93 C155 W156 A160D87-K158 WeakPolarHBondContact CA-O 3.44Å; D87-K158 WeakPolarHBondContact CB-O 3.39Å; V93-K158 HydrophobicContact CG1-CB 4.31Å; V93-K158 HydrophobicContact CG2-CB 4.43Å; C155-K158 PolarHBondContact O-N 3.13Å; W156-K158 PolarHBondContact O-N 2.86Å; K158-A160 PolarHBondContact O-N 3.37Å
159A98.3Very high98.2Very high2 Ų234.1 Ų34.12%0.01717%0.174CC..  trans-67.4125.3-177.400000111V85 C155 W156 F162 K216V85-A159 HydrophobicContact CG1-CB 3.54Å; C155-A159 WeakPolarHBondContact O-CB 3.17Å; C155-A159 PolarHBondContact O-N 2.94Å; W156-A159 PolarHBondContact O-N 2.93Å; A159-F162 HydrophobicContact CB-CE1 3.71Å; A159-F162 HydrophobicContact CB-CE2 4.02Å; A159-F162 HydrophobicContact CB-CZ 3.36Å; A159-K216 VanDerWaalsContact O-CE 3.27Å; A159-K216 WeakPolarHBondContact O-CE 3.14Å; A159-K216 PolarHBondContact O-NZ 2.88Å
160A98.1Very high98.2Very high22 Ų2230.2 Ų30.218%0.18216%0.155CC..  trans-113.7-2017200000112.1L86 E88 K158 K216L86-A160 PolarHBondContact O-N 3.43Å; E88-A160 HydrophobicContact CB-CB 3.95Å; E88-A160 VanDerWaalsContact N-CB 3.29Å; K158-A160 PolarHBondContact O-N 3.37Å; A160-K216 VanDerWaalsContact O-CA 3.31Å; A160-K216 WeakPolarHBondContact O-CA 3.31Å; A160-K216 WeakPolarHBondContact O-CG 3.39Å
161H98.4Very high98.2Very high26 Ų2627.7 Ų27.712%0.1214%0.14CC..EExtended strand (participates in β ladder)trans-136.6122.9175.5-53.1-72.1000111.5L86 D87 F90 F163L86-H161 HydrophobicContact CB-CB 4.32Å; L86-H161 PolarHBondContact N-O 3.49Å; L86-H161 PolarHBondContact O-N 3.39Å; D87-H161 PolarHBondContact O-CD2 2.56Å; F90-H161 AromaticContact CD1-CD2 3.52Å; F90-H161 AromaticContact CD1-NE2 3.88Å; F90-H161 AromaticContact CE1-CD2 3.34Å; F90-H161 WeakPolarHBondContact CE1-CD2 3.41Å; F90-H161 AromaticContact CE1-CE1 3.79Å; F90-H161 AromaticContact CE1-CG 3.82Å; F90-H161 AromaticContact CE1-NE2 3.33Å; F90-H161 VanDerWaalsContact CE1-NE2 3.33Å; F90-H161 WeakPolarHBondContact CE1-NE2 3.44Å; F90-H161 AromaticContact CE2-NE2 3.99Å; F90-H161 AromaticContact CZ-CD2 3.92Å; F90-H161 AromaticContact CZ-CE1 3.82Å; F90-H161 AromaticContact CZ-NE2 3.39Å; F90-H161 WeakPolarHBondContact CZ-NE2 3.48Å; H161-F163 HydrophobicContact CB-CD2 3.76Å; H161-F163 HydrophobicContact CB-CE2 3.51Å
162F98.8Very high98.3Very high0 Ų031.3 Ų31.30%016%0.156CC..EExtended strand (participates in β ladder)trans-103.5123.5164-57.7-76.6000107.8L83 V84 V85 L144 L147 W156 A159 R179 W188 L209 K216 I217L83-F162 HydrophobicContact CD1-CB 4.13Å; L83-F162 HydrophobicContact CD1-CD1 4.49Å; V84-F162 WeakPolarHBondContact O-CA 3.37Å; V85-F162 HydrophobicContact CB-CD1 4.43Å; V85-F162 HydrophobicContact CB-CE1 4.49Å; V85-F162 HydrophobicContact CG1-CD1 3.91Å; V85-F162 HydrophobicContact CG1-CE1 3.63Å; V85-F162 HydrophobicContact CG2-CD1 3.96Å; V85-F162 HydrophobicContact CG2-CE1 4.09Å; L144-F162 HydrophobicContact CD2-CB 4.12Å; L144-F162 HydrophobicContact CD2-CD1 3.43Å; L144-F162 VanDerWaalsContact CD2-CD1 3.43Å; L144-F162 HydrophobicContact CD2-CD2 3.94Å; L144-F162 HydrophobicContact CD2-CE1 3.7Å; L144-F162 HydrophobicContact CD2-CE2 4.18Å; L144-F162 HydrophobicContact CD2-CG 3.57Å; L144-F162 HydrophobicContact CD2-CZ 4.06Å; L147-F162 HydrophobicContact CD1-CE1 4.44Å; W156-F162 HydrophobicContact CD2-CZ 4.49Å; W156-F162 HydrophobicContact CE3-CE1 4.41Å; W156-F162 HydrophobicContact CE3-CE2 4.43Å; W156-F162 AromaticContact CE3-CZ 3.68Å; W156-F162 HydrophobicContact CE3-CZ 3.68Å; W156-F162 HydrophobicContact CH2-CE2 4.21Å; W156-F162 HydrophobicContact CH2-CZ 4.22Å; W156-F162 HydrophobicContact CZ3-CE1 4.25Å; W156-F162 AromaticContact CZ3-CE2 3.95Å; W156-F162 HydrophobicContact CZ3-CE2 3.95Å; W156-F162 AromaticContact CZ3-CZ 3.52Å; W156-F162 HydrophobicContact CZ3-CZ 3.52Å; A159-F162 HydrophobicContact CB-CE1 3.71Å; A159-F162 HydrophobicContact CB-CE2 4.02Å; A159-F162 HydrophobicContact CB-CZ 3.36Å; F162-R179 PolarHBondContact O-NH2 2.8Å; F162-W188 HydrophobicContact CB-CH2 3.7Å; F162-W188 HydrophobicContact CB-CZ3 4.15Å; F162-L209 HydrophobicContact CD2-CD2 4.16Å; F162-L209 HydrophobicContact CE2-CD2 3.91Å; F162-K216 HydrophobicContact CD2-CB 4.04Å; F162-K216 HydrophobicContact CE2-CB 4.37Å; F162-K216 HydrophobicContact CE2-CD 4.15Å; F162-K216 PolarHBondContact N-O 3.04Å; F162-I217 HydrophobicContact CB-CG2 4.44Å; F162-I217 HydrophobicContact CD2-CG2 4.27Å
163F98.8Very high98.4Very high0 Ų026 Ų260%013%0.132CC..EExtended strand (participates in β ladder)trans-120.7142179.8-82-91.6000109.2V84 L86 F90 H161 D167 F168 W171 R179V84-F163 HydrophobicContact CB-CB 4.19Å; V84-F163 PolarHBondContact N-O 3.29Å; V84-F163 PolarHBondContact O-N 2.81Å; L86-F163 HydrophobicContact CD1-CD2 4.21Å; L86-F163 HydrophobicContact CD1-CE2 4.18Å; F90-F163 HydrophobicContact CE1-CE2 4.42Å; H161-F163 HydrophobicContact CB-CD2 3.76Å; H161-F163 HydrophobicContact CB-CE2 3.51Å; F163-D167 HydrophobicContact CD1-CB 3.8Å; F163-D167 HydrophobicContact CE1-CB 4.47Å; F163-F168 HydrophobicContact CB-CB 3.89Å; F163-F168 HydrophobicContact CD1-CB 4.43Å; F163-F168 HydrophobicContact CG-CB 4.25Å; F163-W171 HydrophobicContact CE1-CB 3.55Å; F163-W171 AromaticContact CE1-CG 3.87Å; F163-W171 HydrophobicContact CE1-CG 3.87Å; F163-W171 HydrophobicContact CE2-CD2 4.43Å; F163-W171 HydrophobicContact CE2-CG 4.45Å; F163-W171 HydrophobicContact CZ-CB 3.79Å; F163-W171 AromaticContact CZ-CD1 3.85Å; F163-W171 AromaticContact CZ-CD2 3.94Å; F163-W171 HydrophobicContact CZ-CD2 3.94Å; F163-W171 AromaticContact CZ-CG 3.54Å; F163-W171 HydrophobicContact CZ-CG 3.54Å; F163-R179 VanDerWaalsContact CD1-NH2 3.32Å; F163-R179 VanDerWaalsContact CE1-NH2 3.29Å; F163-R179 VanDerWaalsContact CZ-NH2 3.33Å
164D98.8Very high98.5Very high0 Ų020.5 Ų20.50%010%0.103CC..EExtended strand (participates in β ladder)trans-69.8143.8154.1-142.8-82.6000107.8C81 S82 Q140 P166 D167 F168 T183 W188C81-D164 VanDerWaalsContact CA-OD1 3.23Å; C81-D164 WeakPolarHBondContact CA-OD1 3.13Å; S82-D164 CarbonylContact O-C 3.56Å; Q140-D164 PolarHBondContact NE2-OD2 3.29Å; D164-P166 VanDerWaalsContact C-N 3.34Å; D164-P166 WeakPolarHBondContact OD1-CD 3.32Å; D164-D167 WeakPolarHBondContact O-CB 3.49Å; D164-D167 PolarHBondContact O-N 3.48Å; D164-F168 PolarHBondContact O-N 3.48Å; D164-T183 HydrophobicContact CB-CG2 3.69Å; D164-W188 HydrophobicContact CB-CZ2 4.34Å; D164-W188 PolarHBondContact OD2-NE1 2.97Å
165L98.9Very high98.5Very high0 Ų020.9 Ų20.90%011%0.114CC..Hα-helixtrans-54.6-40.4-174.6-178.662000113.8V11 I52 A79 S82 V84 D167 F168 L169V11-L165 HydrophobicContact CG1-CD2 3.9Å; I52-L165 HydrophobicContact CD1-CD1 4.15Å; I52-L165 HydrophobicContact CD1-CD2 4.18Å; I52-L165 HydrophobicContact CG2-CD1 4.4Å; A79-L165 HydrophobicContact CB-CB 4.13Å; A79-L165 HydrophobicContact CB-CD2 3.83Å; A79-L165 HydrophobicContact CB-CG 3.71Å; S82-L165 PolarHBondContact O-N 3.24Å; V84-L165 HydrophobicContact CG2-CB 4.17Å; V84-L165 HydrophobicContact CG2-CD1 3.69Å; L165-D167 VanDerWaalsContact C-N 3.32Å; L165-D167 PolarHBondContact O-N 2.98Å; L165-F168 HydrophobicContact CD1-CD1 3.99Å; L165-F168 WeakPolarHBondContact O-CB 3.3Å; L165-F168 PolarHBondContact O-N 2.79Å; L165-L169 WeakPolarHBondContact O-CG 3.48Å; L165-L169 PolarHBondContact O-N 2.84Å; L165-L169 VanDerWaalsContact O-N 3.09Å
166P98.8Very high98.5Very high0 Ų021.6 Ų21.60%012%0.119CC..Hα-helixtrans-58.5-42.8173.6-2232.6000112.8A79 D164 L169 S170 T183 S251 L252 I253A79-P166 HydrophobicContact CB-CB 4.41Å; A79-P166 HydrophobicContact CB-CG 3.83Å; D164-P166 VanDerWaalsContact C-N 3.34Å; D164-P166 WeakPolarHBondContact OD1-CD 3.32Å; P166-L169 PolarHBondContact O-N 3.02Å; P166-S170 PolarHBondContact O-N 3.34Å; P166-S170 VanDerWaalsContact O-N 3.14Å; P166-T183 HydrophobicContact CB-CG2 4.1Å; P166-T183 HydrophobicContact CG-CG2 4.01Å; P166-S251 VanDerWaalsContact C-CB 3.46Å; P166-S251 VanDerWaalsContact C-OG 3.31Å; P166-S251 VanDerWaalsContact CB-OG 3.26Å; P166-S251 WeakPolarHBondContact CB-OG 3.39Å; P166-S251 VanDerWaalsContact O-CB 3.28Å; P166-S251 WeakPolarHBondContact O-CB 3.35Å; P166-L252 VanDerWaalsContact CB-O 3.25Å; P166-L252 WeakPolarHBondContact CB-O 3.41Å; P166-L252 VanDerWaalsContact CG-O 3.28Å; P166-L252 WeakPolarHBondContact CG-O 3.46Å; P166-I253 HydrophobicContact CG-CG1 4.42Å
167D98.8Very high98.5Very high1 Ų124 Ų241%0.00513%0.134CC..Hα-helixtrans-68.4-38.3178.8-68.6-36.6000111.3F163 D164 L165 L169 S170 W171 S180 T183 S251F163-D167 HydrophobicContact CD1-CB 3.8Å; F163-D167 HydrophobicContact CE1-CB 4.47Å; D164-D167 WeakPolarHBondContact O-CB 3.49Å; D164-D167 PolarHBondContact O-N 3.48Å; L165-D167 VanDerWaalsContact C-N 3.32Å; L165-D167 PolarHBondContact O-N 2.98Å; D167-L169 VanDerWaalsContact C-N 3.3Å; D167-L169 PolarHBondContact O-N 3.15Å; D167-S170 PolarHBondContact O-N 2.85Å; D167-S170 PolarHBondContact O-OG 2.81Å; D167-W171 WeakPolarHBondContact O-CB 3.47Å; D167-W171 PolarHBondContact O-N 2.99Å; D167-S180 WeakPolarHBondContact OD1-CB 3.43Å; D167-S180 PolarHBondContact OD1-N 2.82Å; D167-T183 WeakPolarHBondContact OD2-CB 3.45Å; D167-T183 PolarHBondContact OD2-OG1 3.39Å; D167-S251 PolarHBondContact N-OG 3.14Å; D167-S251 PolarHBondContact OD1-OG 3.44Å
168F98.9Very high98.5Very high6 Ų620.9 Ų20.93%0.02612%0.118CC..Hα-helixtrans-56.3-43.8172.3163.8-94.9000111.5S49 V84 L86 F163 D164 L165 W171 K172S49-F168 VanDerWaalsContact CB-CZ 3.5Å; V84-F168 HydrophobicContact CB-CB 4.26Å; V84-F168 HydrophobicContact CB-CG 4.41Å; V84-F168 HydrophobicContact CG1-CB 4.45Å; V84-F168 HydrophobicContact CG1-CD2 3.82Å; V84-F168 HydrophobicContact CG1-CE2 4.28Å; V84-F168 HydrophobicContact CG1-CG 4.1Å; V84-F168 HydrophobicContact CG2-CB 3.94Å; V84-F168 HydrophobicContact CG2-CD1 4.5Å; V84-F168 HydrophobicContact CG2-CG 4.12Å; L86-F168 HydrophobicContact CD1-CD2 4.11Å; L86-F168 HydrophobicContact CD1-CE2 4.2Å; F163-F168 HydrophobicContact CB-CB 3.89Å; F163-F168 HydrophobicContact CD1-CB 4.43Å; F163-F168 HydrophobicContact CG-CB 4.25Å; D164-F168 PolarHBondContact O-N 3.48Å; L165-F168 HydrophobicContact CD1-CD1 3.99Å; L165-F168 WeakPolarHBondContact O-CB 3.3Å; L165-F168 PolarHBondContact O-N 2.79Å; F168-W171 AromaticContact CD2-CE3 3.86Å; F168-W171 HydrophobicContact CD2-CE3 3.86Å; F168-W171 AromaticContact CD2-CZ3 3.95Å; F168-W171 HydrophobicContact CD2-CZ3 3.95Å; F168-W171 HydrophobicContact CE2-CE3 4.05Å; F168-W171 AromaticContact CE2-CZ3 3.7Å; F168-W171 HydrophobicContact CE2-CZ3 3.7Å; F168-W171 PolarHBondContact O-N 3.31Å; F168-K172 HydrophobicContact CZ-CB 4.48Å; F168-K172 VanDerWaalsContact O-CB 3.24Å; F168-K172 WeakPolarHBondContact O-CB 3.47Å; F168-K172 PolarHBondContact O-N 2.83Å
169L98.9Very high98.5Very high0 Ų015 Ų150%09%0.093CC..Hα-helixtrans-64.5-46.6179.9-64.4171.2000111.5V11 I52 W53 F77 A79 L165 P166 D167 W171 K172 A173V11-L169 HydrophobicContact CB-CD1 4.22Å; V11-L169 HydrophobicContact CG2-CD1 3.53Å; V11-L169 HydrophobicContact CG2-CD2 4.4Å; I52-L169 HydrophobicContact CG2-CD2 4.01Å; W53-L169 HydrophobicContact CE3-CD2 4.25Å; F77-L169 HydrophobicContact CB-CB 3.92Å; F77-L169 HydrophobicContact CB-CD1 4.24Å; F77-L169 HydrophobicContact CD1-CB 3.9Å; F77-L169 HydrophobicContact CD1-CD1 4.27Å; F77-L169 HydrophobicContact CG-CB 3.92Å; A79-L169 HydrophobicContact CB-CD1 3.97Å; L165-L169 WeakPolarHBondContact O-CG 3.48Å; L165-L169 PolarHBondContact O-N 2.84Å; L165-L169 VanDerWaalsContact O-N 3.09Å; P166-L169 PolarHBondContact O-N 3.02Å; D167-L169 VanDerWaalsContact C-N 3.3Å; D167-L169 PolarHBondContact O-N 3.15Å; L169-W171 PolarHBondContact O-N 3.1Å; L169-K172 PolarHBondContact O-N 3.04Å; L169-A173 WeakPolarHBondContact O-CB 3.5Å; L169-A173 PolarHBondContact O-N 2.97Å
170S98.6Very high98.5Very high0 Ų015 Ų150%09%0.092CC..Hα-helixtrans-65.9-36.8178.472.20000112.6P166 D167 A173 T174P166-S170 PolarHBondContact O-N 3.34Å; P166-S170 VanDerWaalsContact O-N 3.14Å; D167-S170 PolarHBondContact O-N 2.85Å; D167-S170 PolarHBondContact O-OG 2.81Å; S170-A173 PolarHBondContact O-N 3.26Å; S170-T174 WeakPolarHBondContact O-CB 3.44Å; S170-T174 WeakPolarHBondContact O-CG2 3.31Å; S170-T174 PolarHBondContact O-N 2.81Å; S170-T174 PolarHBondContact O-OG1 2.77Å
171W98.8Very high98.5Very high24 Ų2414.6 Ų14.69%0.0919%0.087CC..Hα-helixtrans-64.5-46.3170.8164.179.9000111.2L86 F90 F163 D167 F168 L169 A173 T174 G175 S176L86-W171 HydrophobicContact CD1-CE3 4.37Å; L86-W171 HydrophobicContact CD1-CH2 4.11Å; L86-W171 HydrophobicContact CD1-CZ3 3.85Å; F90-W171 HydrophobicContact CB-CH2 3.56Å; F90-W171 HydrophobicContact CB-CZ2 3.52Å; F90-W171 HydrophobicContact CD1-CD2 4.4Å; F90-W171 AromaticContact CD1-CE2 3.44Å; F90-W171 VanDerWaalsContact CD1-CE2 3.44Å; F90-W171 AromaticContact CD1-CH2 3.7Å; F90-W171 HydrophobicContact CD1-CH2 3.7Å; F90-W171 AromaticContact CD1-CZ2 3.06Å; F90-W171 HydrophobicContact CD1-CZ2 3.06Å; F90-W171 AromaticContact CD1-NE1 3.79Å; F90-W171 HydrophobicContact CD2-CZ2 4.01Å; F90-W171 HydrophobicContact CE1-CD2 4.48Å; F90-W171 AromaticContact CE1-CE2 3.53Å; F90-W171 AromaticContact CE1-CZ2 3.63Å; F90-W171 HydrophobicContact CE1-CZ2 3.63Å; F90-W171 AromaticContact CE1-NE1 3.35Å; F90-W171 VanDerWaalsContact CE1-NE1 3.35Å; F90-W171 HydrophobicContact CE2-CZ2 4.47Å; F90-W171 AromaticContact CG-CH2 3.84Å; F90-W171 HydrophobicContact CG-CH2 3.84Å; F90-W171 AromaticContact CG-CZ2 3.27Å; F90-W171 HydrophobicContact CG-CZ2 3.27Å; F90-W171 HydrophobicContact CZ-CZ2 4.3Å; F90-W171 AromaticContact CZ-NE1 3.76Å; F163-W171 HydrophobicContact CE1-CB 3.55Å; F163-W171 AromaticContact CE1-CG 3.87Å; F163-W171 HydrophobicContact CE1-CG 3.87Å; F163-W171 HydrophobicContact CE2-CD2 4.43Å; F163-W171 HydrophobicContact CE2-CG 4.45Å; F163-W171 HydrophobicContact CZ-CB 3.79Å; F163-W171 AromaticContact CZ-CD1 3.85Å; F163-W171 AromaticContact CZ-CD2 3.94Å; F163-W171 HydrophobicContact CZ-CD2 3.94Å; F163-W171 AromaticContact CZ-CG 3.54Å; F163-W171 HydrophobicContact CZ-CG 3.54Å; D167-W171 WeakPolarHBondContact O-CB 3.47Å; D167-W171 PolarHBondContact O-N 2.99Å; F168-W171 AromaticContact CD2-CE3 3.86Å; F168-W171 HydrophobicContact CD2-CE3 3.86Å; F168-W171 AromaticContact CD2-CZ3 3.95Å; F168-W171 HydrophobicContact CD2-CZ3 3.95Å; F168-W171 HydrophobicContact CE2-CE3 4.05Å; F168-W171 AromaticContact CE2-CZ3 3.7Å; F168-W171 HydrophobicContact CE2-CZ3 3.7Å; F168-W171 PolarHBondContact O-N 3.31Å; L169-W171 PolarHBondContact O-N 3.1Å; W171-A173 PolarHBondContact O-N 2.8Å; W171-T174 PolarHBondContact O-N 2.86Å; W171-T174 VanDerWaalsContact O-N 3.13Å; W171-G175 WeakPolarHBondContact O-CA 3.35Å; W171-G175 PolarHBondContact O-N 2.78Å; W171-S176 WeakPolarHBondContact CA-O 3.3Å; W171-S176 VanDerWaalsContact CB-O 3.3Å; W171-S176 WeakPolarHBondContact CB-O 3.33Å; W171-S176 VanDerWaalsContact CD1-O 3.28Å
172K98.7Very high98.5Very high82 Ų8213.3 Ų13.336%0.3578%0.081SC..Hα-helixtrans-61.3-31.8-179.6-171.961.9179.7175.30111.6W53 F168 L169W53-K172 HydrophobicContact CB-CG 4.49Å; W53-K172 HydrophobicContact CD2-CB 4.22Å; W53-K172 HydrophobicContact CD2-CG 3.34Å; W53-K172 HydrophobicContact CE3-CB 3.99Å; W53-K172 HydrophobicContact CE3-CG 3.63Å; W53-K172 HydrophobicContact CG-CG 3.73Å; W53-K172 HydrophobicContact CH2-CB 4.45Å; W53-K172 HydrophobicContact CH2-CG 4.19Å; W53-K172 HydrophobicContact CZ2-CG 3.95Å; W53-K172 HydrophobicContact CZ3-CB 4.11Å; W53-K172 HydrophobicContact CZ3-CG 4.04Å; F168-K172 HydrophobicContact CZ-CB 4.48Å; F168-K172 VanDerWaalsContact O-CB 3.24Å; F168-K172 WeakPolarHBondContact O-CB 3.47Å; F168-K172 PolarHBondContact O-N 2.83Å; L169-K172 PolarHBondContact O-N 3.04Å
173A98.8Very high98.5Very high0 Ų013.3 Ų13.30%08%0.081CC..Hα-helixtrans-75-38.8175.500000113.6W53 F77 L169 S170 W171 L232 T233 A236 V248W53-A173 HydrophobicContact CH2-CB 4.02Å; W53-A173 HydrophobicContact CZ3-CB 4.45Å; F77-A173 HydrophobicContact CE2-CB 3.75Å; F77-A173 HydrophobicContact CZ-CB 4.12Å; L169-A173 WeakPolarHBondContact O-CB 3.5Å; L169-A173 PolarHBondContact O-N 2.97Å; S170-A173 PolarHBondContact O-N 3.26Å; W171-A173 PolarHBondContact O-N 2.8Å; A173-L232 HydrophobicContact CB-CD2 3.84Å; A173-L232 WeakPolarHBondContact O-CA 3.03Å; A173-T233 PolarHBondContact O-N 2.77Å; A173-A236 WeakPolarHBondContact O-CB 3.49Å; A173-V248 HydrophobicContact CB-CG1 4.37Å; A173-V248 HydrophobicContact CB-CG2 4.32Å
174T98.8Very high98.4Very high10 Ų1013.4 Ų13.46%0.0618%0.081CC..Hα-helixtrans-117.1-17.3-164.664.10000115.5S170 W171 S176 L228 G231 T233 V248S170-T174 WeakPolarHBondContact O-CB 3.44Å; S170-T174 WeakPolarHBondContact O-CG2 3.31Å; S170-T174 PolarHBondContact O-N 2.81Å; S170-T174 PolarHBondContact O-OG1 2.77Å; W171-T174 PolarHBondContact O-N 2.86Å; W171-T174 VanDerWaalsContact O-N 3.13Å; T174-S176 PolarHBondContact O-N 2.93Å; T174-S176 WeakPolarHBondContact OG1-CB 3.34Å; T174-S176 PolarHBondContact OG1-N 2.87Å; T174-S176 VanDerWaalsContact OG1-N 3.08Å; T174-L228 HydrophobicContact CG2-CB 3.99Å; T174-G231 WeakPolarHBondContact CA-O 3.44Å; T174-T233 WeakPolarHBondContact O-CG2 3.19Å; T174-V248 HydrophobicContact CG2-CB 3.44Å; T174-V248 VanDerWaalsContact CG2-CB 3.44Å; T174-V248 HydrophobicContact CG2-CG1 3.7Å; T174-V248 HydrophobicContact CG2-CG2 3.68Å
175G98.2Very high98.3Very high48 Ų4813.5 Ų13.550%0.4958%0.082SC..  trans73.6-4.5-166.800000114.4W171W171-G175 WeakPolarHBondContact O-CA 3.35Å; W171-G175 PolarHBondContact O-N 2.78Å
176S97.9Very high98.2Very high16 Ų1613.5 Ų13.511%0.1128%0.082CC..  trans-74.8132.1-179.9-172.40000111.8W171 T174 T178W171-S176 WeakPolarHBondContact CA-O 3.3Å; W171-S176 VanDerWaalsContact CB-O 3.3Å; W171-S176 WeakPolarHBondContact CB-O 3.33Å; W171-S176 VanDerWaalsContact CD1-O 3.28Å; T174-S176 PolarHBondContact O-N 2.93Å; T174-S176 WeakPolarHBondContact OG1-CB 3.34Å; T174-S176 PolarHBondContact OG1-N 2.87Å; T174-S176 VanDerWaalsContact OG1-N 3.08Å; S176-T178 WeakPolarHBondContact OG-CB 3.4Å; S176-T178 PolarHBondContact OG-N 3.28Å; S176-T178 PolarHBondContact OG-OG1 2.8Å
177T97.1Very high98.1Very high54 Ų5414 Ų1433%0.3318%0.084SC..  trans-90.52.3171.455.70000112.9F90 R179F90-T177 HydrophobicContact CE1-CG2 4.43Å; F90-T177 HydrophobicContact CZ-CG2 4.27Å; T177-R179 PolarHBondContact O-N 2.84Å; T177-R179 PolarHBondContact O-NH1 3.1Å
178T98.2Very high98.1Very high22 Ų2214 Ų1414%0.1358%0.084CC..PPolyproline II helixtrans-57.6135172.2-47.50000110.3S176 E220 C222 L228S176-T178 WeakPolarHBondContact OG-CB 3.4Å; S176-T178 PolarHBondContact OG-N 3.28Å; S176-T178 PolarHBondContact OG-OG1 2.8Å; T178-E220 HydrophobicContact CG2-CB 4.23Å; T178-E220 PolarHBondContact OG1-OE2 3.41Å; T178-C222 HydrophobicContact CG2-CB 4.04Å; T178-C222 VanDerWaalsContact CG2-SG 3.56Å; T178-L228 HydrophobicContact CG2-CD2 4.35Å
179R98.3Very high98Very high3 Ų313.9 Ų13.91%0.0118%0.084CC..EExtended strand (participates in β ladder)trans-99.1148.7-179.4-55.8-63.4-170.6-121.621.2111.7F162 F163 T177 L184 I217 E220 T221 C222F162-R179 PolarHBondContact O-NH2 2.8Å; F163-R179 VanDerWaalsContact CD1-NH2 3.32Å; F163-R179 VanDerWaalsContact CE1-NH2 3.29Å; F163-R179 VanDerWaalsContact CZ-NH2 3.33Å; T177-R179 PolarHBondContact O-N 2.84Å; T177-R179 PolarHBondContact O-NH1 3.1Å; R179-L184 HydrophobicContact CB-CD1 3.53Å; R179-L184 HydrophobicContact CB-CD2 4.03Å; R179-L184 HydrophobicContact CB-CG 3.72Å; R179-L184 HydrophobicContact CG-CD1 4.01Å; R179-L184 HydrophobicContact CG-CD2 4.16Å; R179-L184 HydrophobicContact CG-CG 4.33Å; R179-I217 PolarHBondContact NE-O 3.33Å; R179-E220 PolarHBondContact N-O 3.25Å; R179-T221 CarbonylContact O-C 3.49Å; R179-T221 VanDerWaalsContact O-CA 3.25Å; R179-T221 WeakPolarHBondContact O-CA 3.18Å; R179-C222 PolarHBondContact O-N 3.09Å
180S98.5Very high97.9Very high1 Ų115.1 Ų15.11%0.0079%0.089CC..EExtended strand (participates in β ladder)trans-69.9137.8169.6-177.60000111.2D167 C182 T183 L184 S251D167-S180 WeakPolarHBondContact OD1-CB 3.43Å; D167-S180 PolarHBondContact OD1-N 2.82Å; S180-C182 PolarHBondContact O-N 2.83Å; S180-C182 WeakPolarHBondContact OG-CB 3.47Å; S180-C182 PolarHBondContact OG-N 3.33Å; S180-T183 PolarHBondContact O-N 2.85Å; S180-T183 PolarHBondContact O-OG1 2.99Å; S180-L184 PolarHBondContact O-N 3.37Å; S180-S251 WeakPolarHBondContact CB-O 3.45Å; S180-S251 PolarHBondContact OG-O 3.14Å
181L98.4Very high97.7Very high13 Ų1316.3 Ų16.37%0.06810%0.097CC..Hα-helixtrans-60.7-27169.2-74.2179.5000112.1V185 Y190 P192 T221 C222 P223L181-V185 HydrophobicContact CB-CG2 4.46Å; L181-V185 HydrophobicContact CD2-CG2 4.34Å; L181-V185 WeakPolarHBondContact O-CB 3.32Å; L181-V185 WeakPolarHBondContact O-CG2 3.33Å; L181-V185 PolarHBondContact O-N 2.9Å; L181-Y190 HydrophobicContact CD2-CD1 4.03Å; L181-Y190 HydrophobicContact CD2-CE1 3.77Å; L181-P192 HydrophobicContact CD2-CB 4.37Å; L181-P192 HydrophobicContact CD2-CG 4.11Å; L181-T221 WeakPolarHBondContact CD2-OG1 3.43Å; L181-C222 WeakPolarHBondContact CG-O 3.09Å; L181-C222 PolarHBondContact N-O 3.21Å; L181-P223 HydrophobicContact CD1-CG 4.14Å
182C98.4Very high97.5Very high0 Ų017.2 Ų17.20%011%0.106CC..Hα-helixtrans-58.9-54.7176.7178.90000112.2S180 C186 P224 L252 I253 H256 A313S180-C182 PolarHBondContact O-N 2.83Å; S180-C182 WeakPolarHBondContact OG-CB 3.47Å; S180-C182 PolarHBondContact OG-N 3.33Å; C182-C186 WeakPolarHBondContact O-CB 3.47Å; C182-C186 PolarHBondContact O-N 3.32Å; C182-C186 PolarHBondContact O-SG 2.95Å; C182-P224 HydrophobicContact CB-CG 3.96Å; C182-L252 HydrophobicContact CB-CD2 3.42Å; C182-L252 VanDerWaalsContact CB-CD2 3.42Å; C182-L252 WeakPolarHBondContact SG-CD2 3.29Å; C182-I253 PolarHBondContact SG-N 3.09Å; C182-I253 VanDerWaalsContact SG-N 3.41Å; C182-H256 VanDerWaalsContact SG-CD2 3.54Å; C182-H256 VanDerWaalsContact SG-CG 3.6Å; C182-A313 WeakPolarHBondContact CA-O 3.16Å; C182-A313 WeakPolarHBondContact CB-O 3.21Å; C182-A313 PolarHBondContact SG-O 3.44Å
183T97.9Very high97.1Very high0 Ų018.1 Ų18.10%012%0.123CC..Hα-helixtrans-63.8-53.8-176.7550000109.7D164 P166 D167 S180 V185 C186 K187 W188 I253D164-T183 HydrophobicContact CB-CG2 3.69Å; P166-T183 HydrophobicContact CB-CG2 4.1Å; P166-T183 HydrophobicContact CG-CG2 4.01Å; D167-T183 WeakPolarHBondContact OD2-CB 3.45Å; D167-T183 PolarHBondContact OD2-OG1 3.39Å; S180-T183 PolarHBondContact O-N 2.85Å; S180-T183 PolarHBondContact O-OG1 2.99Å; T183-V185 PolarHBondContact O-N 2.73Å; T183-C186 PolarHBondContact O-N 2.92Å; T183-K187 PolarHBondContact O-N 3.44Å; T183-W188 VanDerWaalsContact O-CD1 3.29Å; T183-I253 HydrophobicContact CG2-CG1 4.13Å
184L97.8Very high96.9Very high1 Ų121.9 Ų21.91%0.00515%0.154CC..Hα-helixtrans-65.2-43.6-171.9-62-165.6000113.3R179 S180 W188 T189 Y190 W196 T221R179-L184 HydrophobicContact CB-CD1 3.53Å; R179-L184 HydrophobicContact CB-CD2 4.03Å; R179-L184 HydrophobicContact CB-CG 3.72Å; R179-L184 HydrophobicContact CG-CD1 4.01Å; R179-L184 HydrophobicContact CG-CD2 4.16Å; R179-L184 HydrophobicContact CG-CG 4.33Å; S180-L184 PolarHBondContact O-N 3.37Å; L184-W188 HydrophobicContact CD2-CB 4.31Å; L184-W188 HydrophobicContact CD2-CD2 4.17Å; L184-W188 HydrophobicContact CD2-CG 3.89Å; L184-W188 CarbonylContact O-C 3.44Å; L184-W188 WeakPolarHBondContact O-CA 3.37Å; L184-W188 WeakPolarHBondContact O-CB 3.3Å; L184-W188 PolarHBondContact O-N 2.93Å; L184-W188 VanDerWaalsContact O-N 3.08Å; L184-T189 PolarHBondContact O-N 3.03Å; L184-Y190 HydrophobicContact CB-CD1 4.34Å; L184-Y190 HydrophobicContact CB-CG 4.06Å; L184-Y190 HydrophobicContact CD1-CD2 4.41Å; L184-Y190 HydrophobicContact CD1-CG 4.27Å; L184-Y190 WeakPolarHBondContact O-CB 3.32Å; L184-Y190 PolarHBondContact O-N 2.71Å; L184-Y190 VanDerWaalsContact O-N 3.14Å; L184-W196 HydrophobicContact CB-CH2 4.46Å; L184-W196 HydrophobicContact CD1-CH2 4.25Å; L184-W196 HydrophobicContact CD1-CZ2 3.82Å; L184-W196 HydrophobicContact CD2-CH2 3.92Å; L184-W196 HydrophobicContact CD2-CZ2 4.07Å; L184-W196 HydrophobicContact CG-CH2 4.45Å; L184-W196 HydrophobicContact CG-CZ2 4.46Å; L184-T221 HydrophobicContact CD1-CG2 3.45Å; L184-T221 VanDerWaalsContact CD1-CG2 3.45Å
185V97Very high96.7Very high3 Ų322.3 Ų22.32%0.01816%0.16CC..Hα-helixtrans-71.6-41.3-177.6-179.50000110.5L181 T183 Y190 P192 Y310 A313L181-V185 HydrophobicContact CB-CG2 4.46Å; L181-V185 HydrophobicContact CD2-CG2 4.34Å; L181-V185 WeakPolarHBondContact O-CB 3.32Å; L181-V185 WeakPolarHBondContact O-CG2 3.33Å; L181-V185 PolarHBondContact O-N 2.9Å; T183-V185 PolarHBondContact O-N 2.73Å; V185-Y190 HydrophobicContact CG2-CD1 4.09Å; V185-P192 HydrophobicContact CG2-CG 3.7Å; V185-Y310 HydrophobicContact CG1-CD1 3.48Å; V185-Y310 VanDerWaalsContact CG1-CD1 3.48Å; V185-Y310 HydrophobicContact CG1-CE1 4.38Å; V185-Y310 HydrophobicContact CG1-CG 3.8Å; V185-A313 HydrophobicContact CB-CB 4.47Å
186C96.6Very high96.6Very high0 Ų021.1 Ų21.10%014%0.14CC..Hα-helixtrans-78.3-33.3-175.5-65.50000113.9C182 T183 I253 H256 Y310C182-C186 WeakPolarHBondContact O-CB 3.47Å; C182-C186 PolarHBondContact O-N 3.32Å; C182-C186 PolarHBondContact O-SG 2.95Å; T183-C186 PolarHBondContact O-N 2.92Å; C186-I253 HydrophobicContact CB-CD1 4.23Å; C186-H256 PolarHBondContact SG-NE2 3.46Å; C186-H256 VanDerWaalsContact SG-NE2 3.38Å; C186-Y310 HydrophobicContact CB-CD2 4.46Å; C186-Y310 HydrophobicContact CB-CE2 4.25Å; C186-Y310 VanDerWaalsContact SG-CD2 3.51Å
187K96.8Very high96.6Very high9 Ų921.4 Ų21.44%0.03914%0.141CC..Hα-helixtrans-127.1-9.4-167.5-48.5-62.5165.9-148.80115.1C81 M139 Q140 P141 T183 I253 E322C81-K187 HydrophobicContact CB-CD 4.3Å; C81-K187 HydrophobicContact CB-CG 3.9Å; M139-K187 HydrophobicContact CG-CD 4.4Å; Q140-K187 HydrophobicContact CG-CB 4.16Å; Q140-K187 PolarHBondContact N-O 3.06Å; Q140-K187 VanDerWaalsContact N-O 3.1Å; P141-K187 WeakPolarHBondContact CD-O 3.44Å; T183-K187 PolarHBondContact O-N 3.44Å; K187-I253 HydrophobicContact CD-CD1 4.34Å; K187-I253 HydrophobicContact CG-CD1 3.65Å; K187-E322 IonicContact NZ-OE1 2.74Å; K187-E322 IonicContact NZ-OE2 3.77Å; K187-E322 PolarHBondContact NZ-OE2 3.44Å
188W97.7Very high96.6Very high1 Ų121.4 Ų21.40%0.00414%0.143CC..SBendtrans-119.1-4.6-177.5-59.367000114.6L83 Q140 L144 F162 D164 T183 L184 W196 I217L83-W188 HydrophobicContact CD1-CH2 3.61Å; L83-W188 HydrophobicContact CD1-CZ2 3.87Å; Q140-W188 HydrophobicContact CB-CD2 3.86Å; Q140-W188 HydrophobicContact CB-CE3 4.12Å; Q140-W188 HydrophobicContact CB-CG 4.29Å; Q140-W188 HydrophobicContact CB-CH2 4.27Å; Q140-W188 HydrophobicContact CB-CZ2 4.03Å; Q140-W188 HydrophobicContact CB-CZ3 4.32Å; Q140-W188 HydrophobicContact CG-CD2 3.85Å; Q140-W188 HydrophobicContact CG-CG 4.12Å; Q140-W188 HydrophobicContact CG-CH2 4.4Å; Q140-W188 HydrophobicContact CG-CZ2 3.68Å; Q140-W188 VanDerWaalsContact CG-NE1 3.33Å; L144-W188 HydrophobicContact CD1-CE3 4.25Å; L144-W188 HydrophobicContact CD1-CH2 4.49Å; L144-W188 HydrophobicContact CD1-CZ3 3.74Å; F162-W188 HydrophobicContact CB-CH2 3.7Å; F162-W188 HydrophobicContact CB-CZ3 4.15Å; D164-W188 HydrophobicContact CB-CZ2 4.34Å; D164-W188 PolarHBondContact OD2-NE1 2.97Å; T183-W188 VanDerWaalsContact O-CD1 3.29Å; L184-W188 HydrophobicContact CD2-CB 4.31Å; L184-W188 HydrophobicContact CD2-CD2 4.17Å; L184-W188 HydrophobicContact CD2-CG 3.89Å; L184-W188 CarbonylContact O-C 3.44Å; L184-W188 WeakPolarHBondContact O-CA 3.37Å; L184-W188 WeakPolarHBondContact O-CB 3.3Å; L184-W188 PolarHBondContact O-N 2.93Å; L184-W188 VanDerWaalsContact O-N 3.08Å; W188-W196 HydrophobicContact CB-CH2 3.6Å; W188-W196 HydrophobicContact CB-CZ3 3.74Å; W188-W196 HydrophobicContact CD2-CH2 4.5Å; W188-W196 HydrophobicContact CE3-CH2 4.32Å; W188-W196 HydrophobicContact CG-CH2 4.28Å; W188-W196 WeakPolarHBondContact O-CZ3 3.41Å; W188-I217 HydrophobicContact CE3-CB 4.12Å; W188-I217 HydrophobicContact CE3-CG2 4.23Å; W188-I217 HydrophobicContact CZ3-CB 3.85Å; W188-I217 HydrophobicContact CZ3-CG2 3.63Å
189T96.1Very high96.6Very high4 Ų423.1 Ų23.13%0.02516%0.156CC..  trans76.89.5-178.179.50000116.2V127 R130 M135 P141 L184 F200V127-T189 HydrophobicContact CB-CG2 4.4Å; V127-T189 HydrophobicContact CG2-CG2 4.13Å; R130-T189 PolarHBondContact NH1-O 3.23Å; R130-T189 PolarHBondContact NH2-O 3.49Å; M135-T189 HydrophobicContact CE-CG2 3.75Å; P141-T189 HydrophobicContact CG-CG2 4.2Å; L184-T189 PolarHBondContact O-N 3.03Å; T189-F200 HydrophobicContact CG2-CE1 3.92Å; T189-F200 HydrophobicContact CG2-CZ 4.12Å
190Y97.3Very high96.6Very high26 Ų2623 Ų2310%0.10216%0.155CC..  trans-59.7146.4176.3-170.9-101.9000111.8R130 L181 L184 V185 G195 W196 T221R130-Y190 PolarHBondContact NH1-O 2.95Å; R130-Y190 VanDerWaalsContact NH1-O 3.1Å; L181-Y190 HydrophobicContact CD2-CD1 4.03Å; L181-Y190 HydrophobicContact CD2-CE1 3.77Å; L184-Y190 HydrophobicContact CB-CD1 4.34Å; L184-Y190 HydrophobicContact CB-CG 4.06Å; L184-Y190 HydrophobicContact CD1-CD2 4.41Å; L184-Y190 HydrophobicContact CD1-CG 4.27Å; L184-Y190 WeakPolarHBondContact O-CB 3.32Å; L184-Y190 PolarHBondContact O-N 2.71Å; L184-Y190 VanDerWaalsContact O-N 3.14Å; V185-Y190 HydrophobicContact CG2-CD1 4.09Å; Y190-G195 VanDerWaalsContact CE2-C 3.49Å; Y190-G195 VanDerWaalsContact CE2-CA 3.48Å; Y190-W196 AromaticContact CD2-CD2 3.54Å; Y190-W196 HydrophobicContact CD2-CD2 3.54Å; Y190-W196 AromaticContact CD2-CE2 3.6Å; Y190-W196 AromaticContact CD2-CE3 3.85Å; Y190-W196 HydrophobicContact CD2-CE3 3.85Å; Y190-W196 AromaticContact CD2-CG 3.9Å; Y190-W196 HydrophobicContact CD2-CG 3.9Å; Y190-W196 HydrophobicContact CD2-CH2 4.33Å; Y190-W196 HydrophobicContact CD2-CZ2 4.04Å; Y190-W196 HydrophobicContact CD2-CZ3 4.22Å; Y190-W196 AromaticContact CD2-NE1 3.94Å; Y190-W196 AromaticContact CE2-CD1 3.97Å; Y190-W196 HydrophobicContact CE2-CD2 4.18Å; Y190-W196 HydrophobicContact CE2-CG 4.12Å; Y190-W196 AromaticContact CE2-NE1 3.94Å; Y190-T221 HydrophobicContact CE1-CG2 3.95Å; Y190-T221 HydrophobicContact CE2-CG2 4.24Å
191C95.2Very high96.6Very high26 Ų2623 Ų2318%0.17616%0.155CC..BIsolated β-bridgetrans-124.1115.9176.2-178.40000108.9S193 A194 G195C191-S193 PolarHBondContact O-N 2.87Å; C191-S193 VanDerWaalsContact O-N 3.1Å; C191-S193 PolarHBondContact SG-OG 3.42Å; C191-A194 HydrophobicContact CB-CB 4.12Å; C191-A194 CarbonylContact O-C 3.56Å; C191-A194 PolarHBondContact O-N 3.5Å; C191-G195 PolarHBondContact N-O 3.39Å; C191-G195 VanDerWaalsContact N-O 3.14Å; C191-G195 WeakPolarHBondContact O-CA 3.37Å; C191-G195 PolarHBondContact O-N 3.06Å
192P94Very high96.6Very high42 Ų4225.8 Ų25.827%0.27317%0.173SC..THydrogen-bonded Turntrans-56.8-34.5-174.3-26.335.2000114L181 V185 L311L181-P192 HydrophobicContact CD2-CB 4.37Å; L181-P192 HydrophobicContact CD2-CG 4.11Å; V185-P192 HydrophobicContact CG2-CG 3.7Å; P192-L311 HydrophobicContact CB-CD2 4.36Å; P192-L311 HydrophobicContact CG-CB 4.19Å
193S91.2Very high96.5Very high102 Ų10230.4 Ų30.471%0.71320%0.196SC*.THydrogen-bonded Turntrans-80.2-17.7179.858.80000114.5C191C191-S193 PolarHBondContact O-N 2.87Å; C191-S193 VanDerWaalsContact O-N 3.1Å; C191-S193 PolarHBondContact SG-OG 3.42Å
194A92.9Very high96.5Very high79 Ų7930.9 Ų30.965%0.65320%0.2SC*.THydrogen-bonded Turntrans-126.1-9.8-172.800000114.2C191C191-A194 HydrophobicContact CB-CB 4.12Å; C191-A194 CarbonylContact O-C 3.56Å; C191-A194 PolarHBondContact O-N 3.5Å
195G95.5Very high96.6Very high18 Ų1832.2 Ų32.219%0.18621%0.213CC..BIsolated β-bridgetrans72.9-149.1-172.300000113.4Y190 C191Y190-G195 VanDerWaalsContact CE2-C 3.49Å; Y190-G195 VanDerWaalsContact CE2-CA 3.48Å; C191-G195 PolarHBondContact N-O 3.39Å; C191-G195 VanDerWaalsContact N-O 3.14Å; C191-G195 WeakPolarHBondContact O-CA 3.37Å; C191-G195 PolarHBondContact O-N 3.06Å
196W96.9Very high96.6Very high24 Ų2432 Ų329%0.09121%0.212CC..  trans-76.2136.6172.3-65.9113.8000111.1L184 W188 Y190 S198 W201 F214 I217 G218L184-W196 HydrophobicContact CB-CH2 4.46Å; L184-W196 HydrophobicContact CD1-CH2 4.25Å; L184-W196 HydrophobicContact CD1-CZ2 3.82Å; L184-W196 HydrophobicContact CD2-CH2 3.92Å; L184-W196 HydrophobicContact CD2-CZ2 4.07Å; L184-W196 HydrophobicContact CG-CH2 4.45Å; L184-W196 HydrophobicContact CG-CZ2 4.46Å; W188-W196 HydrophobicContact CB-CH2 3.6Å; W188-W196 HydrophobicContact CB-CZ3 3.74Å; W188-W196 HydrophobicContact CD2-CH2 4.5Å; W188-W196 HydrophobicContact CE3-CH2 4.32Å; W188-W196 HydrophobicContact CG-CH2 4.28Å; W188-W196 WeakPolarHBondContact O-CZ3 3.41Å; Y190-W196 AromaticContact CD2-CD2 3.54Å; Y190-W196 HydrophobicContact CD2-CD2 3.54Å; Y190-W196 AromaticContact CD2-CE2 3.6Å; Y190-W196 AromaticContact CD2-CE3 3.85Å; Y190-W196 HydrophobicContact CD2-CE3 3.85Å; Y190-W196 AromaticContact CD2-CG 3.9Å; Y190-W196 HydrophobicContact CD2-CG 3.9Å; Y190-W196 HydrophobicContact CD2-CH2 4.33Å; Y190-W196 HydrophobicContact CD2-CZ2 4.04Å; Y190-W196 HydrophobicContact CD2-CZ3 4.22Å; Y190-W196 AromaticContact CD2-NE1 3.94Å; Y190-W196 AromaticContact CE2-CD1 3.97Å; Y190-W196 HydrophobicContact CE2-CD2 4.18Å; Y190-W196 HydrophobicContact CE2-CG 4.12Å; Y190-W196 AromaticContact CE2-NE1 3.94Å; W196-S198 PolarHBondContact O-N 3.22Å; W196-W201 AromaticContact CE3-CZ2 3.92Å; W196-W201 HydrophobicContact CE3-CZ2 3.92Å; W196-W201 AromaticContact CE3-NE1 3.58Å; W196-W201 HydrophobicContact CH2-CZ2 4.47Å; W196-W201 AromaticContact CZ3-CZ2 3.68Å; W196-W201 HydrophobicContact CZ3-CZ2 3.68Å; W196-F214 HydrophobicContact CB-CD1 3.74Å; W196-F214 HydrophobicContact CB-CD2 4.24Å; W196-F214 HydrophobicContact CB-CE1 3.28Å; W196-F214 HydrophobicContact CB-CE2 3.91Å; W196-F214 HydrophobicContact CB-CG 4.18Å; W196-F214 HydrophobicContact CB-CZ 3.41Å; W196-F214 VanDerWaalsContact CB-CZ 3.41Å; W196-F214 AromaticContact CD1-CD1 3.63Å; W196-F214 AromaticContact CD1-CD2 3.61Å; W196-F214 AromaticContact CD1-CG 3.34Å; W196-F214 HydrophobicContact CD2-CD1 4.34Å; W196-F214 HydrophobicContact CG-CB 4.42Å; W196-F214 AromaticContact CG-CD1 3.64Å; W196-F214 HydrophobicContact CG-CD1 3.64Å; W196-F214 HydrophobicContact CG-CD2 4.2Å; W196-F214 AromaticContact CG-CE1 3.75Å; W196-F214 HydrophobicContact CG-CE1 3.75Å; W196-F214 HydrophobicContact CG-CE2 4.36Å; W196-F214 AromaticContact CG-CG 3.85Å; W196-F214 HydrophobicContact CG-CG 3.85Å; W196-F214 HydrophobicContact CG-CZ 4.14Å; W196-F214 AromaticContact NE1-CG 3.96Å; W196-I217 HydrophobicContact CD2-CD1 3.88Å; W196-I217 HydrophobicContact CE3-CD1 4.03Å; W196-I217 HydrophobicContact CH2-CD1 3.83Å; W196-I217 HydrophobicContact CH2-CG1 4.24Å; W196-I217 HydrophobicContact CZ2-CB 4.26Å; W196-I217 HydrophobicContact CZ2-CD1 3.7Å; W196-I217 HydrophobicContact CZ2-CG1 3.73Å; W196-I217 HydrophobicContact CZ3-CD1 4.01Å; W196-G218 PolarHBondContact NE1-O 3.21Å
197D96.8Very high96.7Very high22 Ų2236.6 Ų36.612%0.11823%0.233CC..  trans-90.696.4177.5-164.4-8.9000110.4H125 R126 V127 S199 F200H125-D197 IonicContact CE1-OD2 3.7Å; H125-D197 PolarHBondContact CE1-OD2 2.99Å; H125-D197 VanDerWaalsContact CE1-OD2 3.32Å; R126-D197 IonicContact CZ-OD1 2.74Å; R126-D197 IonicContact CZ-OD2 2.78Å; R126-D197 VanDerWaalsContact CZ-OD2 3.24Å; R126-D197 IonicContact NE-OD2 3.78Å; R126-D197 PolarHBondContact NE-OD2 3.18Å; R126-D197 IonicContact NH2-OD1 2.94Å; R126-D197 PolarHBondContact NH2-OD1 3.5Å; R126-D197 IonicContact NH2-OD2 2.79Å; R126-D197 PolarHBondContact NH2-OD2 3.36Å; V127-D197 HydrophobicContact CG1-CB 4.13Å; D197-S199 PolarHBondContact O-N 3.08Å; D197-S199 PolarHBondContact OD1-OG 2.92Å; D197-F200 HydrophobicContact CB-CB 4.24Å; D197-F200 VanDerWaalsContact O-CB 3.29Å; D197-F200 WeakPolarHBondContact O-CB 3.39Å; D197-F200 PolarHBondContact O-N 3.12Å
198S97.6Very high96.7Very high54 Ų5437.7 Ų37.738%0.37824%0.24SC..Hα-helixtrans-57.8-33.7-174.7-54.30000113.3W196 F200 W201 T202W196-S198 PolarHBondContact O-N 3.22Å; S198-F200 PolarHBondContact O-N 3.21Å; S198-W201 PolarHBondContact O-N 3.02Å; S198-T202 PolarHBondContact O-N 3.49Å; S198-T202 PolarHBondContact O-OG1 2.91Å; S198-T202 VanDerWaalsContact O-OG1 3.08Å
199S98.1Very high96.7Very high58 Ų5837.7 Ų37.741%0.40624%0.24SC..Hα-helixtrans-64.6-28.9178.765.90000112.5H125 D197 I203H125-S199 PolarHBondContact NE2-OG 3.31Å; D197-S199 PolarHBondContact O-N 3.08Å; D197-S199 PolarHBondContact OD1-OG 2.92Å; S199-I203 WeakPolarHBondContact O-CB 3.33Å; S199-I203 WeakPolarHBondContact O-CG2 3.4Å; S199-I203 PolarHBondContact O-N 3.2Å
200F98.1Very high96.8Very high0 Ų039.8 Ų39.80%025%0.25CS..Hα-helixtrans-66.2-53.5174.6174.7-114.9000110.9I120 H125 V127 M135 P141 T189 D197 S198 T202 I203 V204I120-F200 HydrophobicContact CG2-CE2 3.94Å; I120-F200 HydrophobicContact CG2-CZ 4.1Å; H125-F200 HydrophobicContact CB-CD2 4.22Å; H125-F200 VanDerWaalsContact CE1-CB 3.47Å; H125-F200 WeakPolarHBondContact CE1-CB 3.29Å; H125-F200 AromaticContact CG-CD2 3.97Å; H125-F200 AromaticContact ND1-CD2 3.71Å; H125-F200 PolarHBondContact NE2-N 3.45Å; V127-F200 HydrophobicContact CG1-CB 4.16Å; V127-F200 HydrophobicContact CG1-CG 4.27Å; V127-F200 HydrophobicContact CG2-CB 4.47Å; V127-F200 HydrophobicContact CG2-CD1 4.38Å; V127-F200 HydrophobicContact CG2-CD2 3.37Å; V127-F200 HydrophobicContact CG2-CE2 3.55Å; V127-F200 HydrophobicContact CG2-CG 3.81Å; V127-F200 HydrophobicContact CG2-CZ 4.15Å; M135-F200 HydrophobicContact CE-CE2 4.41Å; M135-F200 HydrophobicContact CE-CZ 3.98Å; P141-F200 HydrophobicContact CB-CE1 4.02Å; P141-F200 HydrophobicContact CB-CZ 3.99Å; P141-F200 HydrophobicContact CG-CE1 4.02Å; P141-F200 HydrophobicContact CG-CZ 4.22Å; T189-F200 HydrophobicContact CG2-CE1 3.92Å; T189-F200 HydrophobicContact CG2-CZ 4.12Å; D197-F200 HydrophobicContact CB-CB 4.24Å; D197-F200 VanDerWaalsContact O-CB 3.29Å; D197-F200 WeakPolarHBondContact O-CB 3.39Å; D197-F200 PolarHBondContact O-N 3.12Å; S198-F200 PolarHBondContact O-N 3.21Å; F200-T202 VanDerWaalsContact C-N 3.29Å; F200-T202 PolarHBondContact O-N 3.32Å; F200-I203 VanDerWaalsContact O-CG2 3.3Å; F200-I203 WeakPolarHBondContact O-CG2 3.35Å; F200-I203 PolarHBondContact O-N 3.4Å; F200-V204 HydrophobicContact CD2-CG1 4.02Å; F200-V204 HydrophobicContact CE2-CG1 3.66Å; F200-V204 HydrophobicContact CZ-CG1 4.11Å; F200-V204 WeakPolarHBondContact O-CG1 3.45Å; F200-V204 WeakPolarHBondContact O-CG2 3.32Å; F200-V204 PolarHBondContact O-N 3.02Å; F200-V204 VanDerWaalsContact O-N 3.16Å
201W98Very high96.7Very high0 Ų044.2 Ų44.20%027%0.272CS..Hα-helixtrans-64.1-36.3-177.6-63.9109.3000111.8P141 L144 W196 S198 G205 L206 E207 L209 L210 I217P141-W201 HydrophobicContact CB-CH2 4.3Å; P141-W201 HydrophobicContact CB-CZ3 4.1Å; P141-W201 HydrophobicContact CG-CH2 4.01Å; P141-W201 HydrophobicContact CG-CZ3 4.32Å; L144-W201 HydrophobicContact CD1-CH2 4.16Å; L144-W201 HydrophobicContact CD1-CZ3 4.08Å; W196-W201 AromaticContact CE3-CZ2 3.92Å; W196-W201 HydrophobicContact CE3-CZ2 3.92Å; W196-W201 AromaticContact CE3-NE1 3.58Å; W196-W201 HydrophobicContact CH2-CZ2 4.47Å; W196-W201 AromaticContact CZ3-CZ2 3.68Å; W196-W201 HydrophobicContact CZ3-CZ2 3.68Å; S198-W201 PolarHBondContact O-N 3.02Å; W201-G205 PolarHBondContact O-N 3.38Å; W201-L206 HydrophobicContact CE3-CB 3.83Å; W201-L206 HydrophobicContact CE3-CD1 3.77Å; W201-L206 HydrophobicContact CE3-CG 4.46Å; W201-L206 HydrophobicContact CZ3-CD1 3.67Å; W201-L206 CarbonylContact O-C 3.58Å; W201-L206 WeakPolarHBondContact O-CA 3.47Å; W201-L206 PolarHBondContact O-N 3.36Å; W201-E207 PolarHBondContact O-N 3.29Å; W201-L209 HydrophobicContact CD2-CD1 4.45Å; W201-L209 HydrophobicContact CE3-CD1 3.74Å; W201-L209 HydrophobicContact CH2-CD1 4.32Å; W201-L209 HydrophobicContact CZ3-CD1 3.66Å; W201-L210 HydrophobicContact CB-CD2 3.89Å; W201-L210 HydrophobicContact CG-CD2 4.29Å; W201-I217 HydrophobicContact CH2-CD1 4.34Å; W201-I217 HydrophobicContact CZ2-CD1 3.74Å
202T98.3Very high96.7Very high72 Ų7249.2 Ų49.244%0.44230%0.297SS..Hα-helixtrans-65.8-48173.4-55.30000112.8S198 F200 V204 G205 E207S198-T202 PolarHBondContact O-N 3.49Å; S198-T202 PolarHBondContact O-OG1 2.91Å; S198-T202 VanDerWaalsContact O-OG1 3.08Å; F200-T202 VanDerWaalsContact C-N 3.29Å; F200-T202 PolarHBondContact O-N 3.32Å; T202-V204 VanDerWaalsContact C-N 3.25Å; T202-V204 PolarHBondContact O-N 2.64Å; T202-G205 PolarHBondContact O-N 3.12Å; T202-G205 VanDerWaalsContact O-N 3.11Å; T202-E207 HydrophobicContact CG2-CB 4.48Å
203I98Very high96.7Very high97 Ų9752.5 Ų52.550%0.49731%0.312SS..Hα-helixtrans-66.8-28.1-175.7-161.7169.9000112.6T123 S199 F200 G205T123-I203 HydrophobicContact CG2-CG2 4.45Å; S199-I203 WeakPolarHBondContact O-CB 3.33Å; S199-I203 WeakPolarHBondContact O-CG2 3.4Å; S199-I203 PolarHBondContact O-N 3.2Å; F200-I203 VanDerWaalsContact O-CG2 3.3Å; F200-I203 WeakPolarHBondContact O-CG2 3.35Å; F200-I203 PolarHBondContact O-N 3.4Å; I203-G205 VanDerWaalsContact C-N 3.34Å
204V97.8Very high97Very high11 Ų1148.7 Ų48.77%0.06728%0.283CS..THydrogen-bonded Turntrans-87.6-0.4177.3-52.90000113.5I120 T123 L145 F200 T202 L206I120-V204 HydrophobicContact CB-CG1 4.45Å; I120-V204 HydrophobicContact CG1-CB 4.08Å; I120-V204 HydrophobicContact CG1-CG1 3.81Å; I120-V204 HydrophobicContact CG2-CG1 4.24Å; T123-V204 HydrophobicContact CG2-CG1 4.43Å; L145-V204 WeakPolarHBondContact CD1-O 3.33Å; F200-V204 HydrophobicContact CD2-CG1 4.02Å; F200-V204 HydrophobicContact CE2-CG1 3.66Å; F200-V204 HydrophobicContact CZ-CG1 4.11Å; F200-V204 WeakPolarHBondContact O-CG1 3.45Å; F200-V204 WeakPolarHBondContact O-CG2 3.32Å; F200-V204 PolarHBondContact O-N 3.02Å; F200-V204 VanDerWaalsContact O-N 3.16Å; T202-V204 VanDerWaalsContact C-N 3.25Å; T202-V204 PolarHBondContact O-N 2.64Å; V204-L206 HydrophobicContact CG2-CB 4.07Å; V204-L206 HydrophobicContact CG2-CD1 4.01Å; V204-L206 HydrophobicContact CG2-CG 4.01Å
205G97.9Very high97.1Very high28 Ų2847.1 Ų47.129%0.28927%0.267SS..THydrogen-bonded Turntrans78.932.3178.100000114.6K148 W201 T202 I203 E207K148-G205 WeakPolarHBondContact CD-O 3.34Å; K148-G205 WeakPolarHBondContact CE-O 3.41Å; K148-G205 PolarHBondContact NZ-O 3.44Å; W201-G205 PolarHBondContact O-N 3.38Å; T202-G205 PolarHBondContact O-N 3.12Å; T202-G205 VanDerWaalsContact O-N 3.11Å; I203-G205 VanDerWaalsContact C-N 3.34Å; G205-E207 WeakPolarHBondContact CA-OE2 3.49Å
206L98.4Very high97.2Very high0 Ų048.3 Ų48.30%027%0.268CS..  trans-122.731.6178.4-67.3-179.1000111.8L144 L145 K148 W156 W201 V204 D208 L209L144-L206 HydrophobicContact CB-CD1 3.95Å; L145-L206 HydrophobicContact CB-CD1 4.3Å; L145-L206 HydrophobicContact CB-CD2 4.47Å; L145-L206 HydrophobicContact CD1-CD2 4.27Å; L145-L206 HydrophobicContact CD1-CG 4.45Å; K148-L206 HydrophobicContact CB-CD2 4.28Å; K148-L206 HydrophobicContact CD-CD2 3.63Å; W156-L206 HydrophobicContact CH2-CD2 3.62Å; W156-L206 HydrophobicContact CZ2-CD2 3.93Å; W156-L206 HydrophobicContact CZ3-CD2 4.37Å; W201-L206 HydrophobicContact CE3-CB 3.83Å; W201-L206 HydrophobicContact CE3-CD1 3.77Å; W201-L206 HydrophobicContact CE3-CG 4.46Å; W201-L206 HydrophobicContact CZ3-CD1 3.67Å; W201-L206 CarbonylContact O-C 3.58Å; W201-L206 WeakPolarHBondContact O-CA 3.47Å; W201-L206 PolarHBondContact O-N 3.36Å; V204-L206 HydrophobicContact CG2-CB 4.07Å; V204-L206 HydrophobicContact CG2-CD1 4.01Å; V204-L206 HydrophobicContact CG2-CG 4.01Å; L206-D208 VanDerWaalsContact C-OD1 3.29Å; L206-D208 PolarHBondContact O-N 2.91Å; L206-L209 HydrophobicContact CB-CD1 4.04Å; L206-L209 HydrophobicContact CB-CG 4.39Å; L206-L209 HydrophobicContact CD1-CD1 4.26Å; L206-L209 WeakPolarHBondContact O-CB 3.22Å; L206-L209 PolarHBondContact O-N 2.87Å; L206-L209 VanDerWaalsContact O-N 3.08Å
207E98.2Very high97.3Very high95 Ų9547.2 Ų47.244%0.44426%0.263SS..G310 helixtrans-63.8-20.7-177.564.3-88.9-141.800114.6K148 W201 T202 G205 L209 L210K148-E207 IonicContact NZ-OE2 2.78Å; W201-E207 PolarHBondContact O-N 3.29Å; T202-E207 HydrophobicContact CG2-CB 4.48Å; G205-E207 WeakPolarHBondContact CA-OE2 3.49Å; E207-L209 PolarHBondContact O-N 2.84Å; E207-L210 HydrophobicContact CB-CD1 4.34Å; E207-L210 WeakPolarHBondContact O-CB 3.15Å; E207-L210 WeakPolarHBondContact O-CG 3.49Å; E207-L210 PolarHBondContact O-N 3.43Å; E207-L210 VanDerWaalsContact O-N 3.08Å
208D97.1Very high97.2Very high33 Ų3346.3 Ų46.318%0.17626%0.259CS..G310 helixtrans-68-18.9172.947.3-10.3000112.8K148 W156 L206 L210 E211K148-D208 WeakPolarHBondContact CE-OD2 3.37Å; K148-D208 IonicContact NZ-OD1 3.98Å; K148-D208 PolarHBondContact NZ-OD1 2.8Å; K148-D208 IonicContact NZ-OD2 2.69Å; K148-D208 PolarHBondContact NZ-OD2 2.77Å; K148-D208 VanDerWaalsContact NZ-OD2 3.1Å; W156-D208 WeakPolarHBondContact CZ2-OD1 3.5Å; W156-D208 WeakPolarHBondContact CZ2-OD2 3.5Å; W156-D208 PolarHBondContact NE1-OD2 2.91Å; L206-D208 VanDerWaalsContact C-OD1 3.29Å; L206-D208 PolarHBondContact O-N 2.91Å; D208-L210 PolarHBondContact O-N 2.85Å; D208-E211 WeakPolarHBondContact O-CG 3.2Å; D208-E211 PolarHBondContact O-N 3.27Å
209L97.8Very high97Very high1 Ų146.3 Ų46.31%0.00526%0.259CS..G310 helixtrans-72.1-12170.1-60.7-178.8000113L144 W156 F162 W201 L206 E207 E211 F214 K216 I217L144-L209 HydrophobicContact CD1-CD1 4.05Å; W156-L209 HydrophobicContact CH2-CD1 4.14Å; W156-L209 HydrophobicContact CH2-CD2 3.69Å; W156-L209 HydrophobicContact CH2-CG 3.97Å; W156-L209 HydrophobicContact CZ2-CD2 3.97Å; W156-L209 HydrophobicContact CZ2-CG 4.22Å; F162-L209 HydrophobicContact CD2-CD2 4.16Å; F162-L209 HydrophobicContact CE2-CD2 3.91Å; W201-L209 HydrophobicContact CD2-CD1 4.45Å; W201-L209 HydrophobicContact CE3-CD1 3.74Å; W201-L209 HydrophobicContact CH2-CD1 4.32Å; W201-L209 HydrophobicContact CZ3-CD1 3.66Å; L206-L209 HydrophobicContact CB-CD1 4.04Å; L206-L209 HydrophobicContact CB-CG 4.39Å; L206-L209 HydrophobicContact CD1-CD1 4.26Å; L206-L209 WeakPolarHBondContact O-CB 3.22Å; L206-L209 PolarHBondContact O-N 2.87Å; L206-L209 VanDerWaalsContact O-N 3.08Å; E207-L209 PolarHBondContact O-N 2.84Å; L209-E211 VanDerWaalsContact C-N 3.3Å; L209-F214 WeakPolarHBondContact O-CA 3.31Å; L209-K216 HydrophobicContact CD2-CB 4.18Å; L209-K216 HydrophobicContact CD2-CD 4.27Å; L209-I217 HydrophobicContact CB-CD1 4.47Å; L209-I217 HydrophobicContact CD1-CG2 4.01Å; L209-I217 HydrophobicContact CD2-CG2 4.03Å; L209-I217 HydrophobicContact CG-CG2 4.44Å
210L97.4Very high96.9Very high47 Ų4748.9 Ų48.925%0.24627%0.265CS..G310 helixtrans-77-19.9177.1-53.1-178.4000112.5W201 E207 D208 F214W201-L210 HydrophobicContact CB-CD2 3.89Å; W201-L210 HydrophobicContact CG-CD2 4.29Å; E207-L210 HydrophobicContact CB-CD1 4.34Å; E207-L210 WeakPolarHBondContact O-CB 3.15Å; E207-L210 WeakPolarHBondContact O-CG 3.49Å; E207-L210 PolarHBondContact O-N 3.43Å; E207-L210 VanDerWaalsContact O-N 3.08Å; D208-L210 PolarHBondContact O-N 2.85Å; L210-F214 HydrophobicContact CD2-CD1 4Å; L210-F214 HydrophobicContact CD2-CE1 3.14Å; L210-F214 HydrophobicContact CD2-CZ 3.61Å; L210-F214 HydrophobicContact CG-CE1 4.4Å
211E95.6Very high96.9Very high119 Ų11950.9 Ų50.956%0.55628%0.277SS*.Hα-helixtrans-60.1151.2-176.4-65.2180-177.100112.1D208 L209 N213 F214D208-E211 WeakPolarHBondContact O-CG 3.2Å; D208-E211 PolarHBondContact O-N 3.27Å; L209-E211 VanDerWaalsContact C-N 3.3Å; E211-N213 PolarHBondContact O-N 3.45Å; E211-N213 VanDerWaalsContact O-N 3.1Å; E211-F214 PolarHBondContact O-N 2.99Å
212N94.4Very high96.8Very high132 Ų13251.8 Ų51.871%0.70628%0.283SS*.Hα-helixtrans49.339.7177.4-58.9-47.9000113.4S215N212-S215 WeakPolarHBondContact CB-OG 3.31Å; N212-S215 WeakPolarHBondContact O-CB 3.4Å; N212-S215 PolarHBondContact O-N 2.95Å
213N94.9Very high96.8Very high110 Ų11050.3 Ų50.359%0.58828%0.275SS*.Hα-helixtrans5749.9-178.3-17142.8000112.9E211 S215 S219E211-N213 PolarHBondContact O-N 3.45Å; E211-N213 VanDerWaalsContact O-N 3.1Å; N213-S215 PolarHBondContact O-N 2.7Å; N213-S219 VanDerWaalsContact O-CB 3.28Å; N213-S219 WeakPolarHBondContact O-CB 3.47Å
214F97.1Very high96.8Very high22 Ų2245.8 Ų45.810%0.09625%0.252CS..Hα-helixtrans62.825.1178-51.6-94.7000114.6W196 L209 L210 E211 K216 I217 G218W196-F214 HydrophobicContact CB-CD1 3.74Å; W196-F214 HydrophobicContact CB-CD2 4.24Å; W196-F214 HydrophobicContact CB-CE1 3.28Å; W196-F214 HydrophobicContact CB-CE2 3.91Å; W196-F214 HydrophobicContact CB-CG 4.18Å; W196-F214 HydrophobicContact CB-CZ 3.41Å; W196-F214 VanDerWaalsContact CB-CZ 3.41Å; W196-F214 AromaticContact CD1-CD1 3.63Å; W196-F214 AromaticContact CD1-CD2 3.61Å; W196-F214 AromaticContact CD1-CG 3.34Å; W196-F214 HydrophobicContact CD2-CD1 4.34Å; W196-F214 HydrophobicContact CG-CB 4.42Å; W196-F214 AromaticContact CG-CD1 3.64Å; W196-F214 HydrophobicContact CG-CD1 3.64Å; W196-F214 HydrophobicContact CG-CD2 4.2Å; W196-F214 AromaticContact CG-CE1 3.75Å; W196-F214 HydrophobicContact CG-CE1 3.75Å; W196-F214 HydrophobicContact CG-CE2 4.36Å; W196-F214 AromaticContact CG-CG 3.85Å; W196-F214 HydrophobicContact CG-CG 3.85Å; W196-F214 HydrophobicContact CG-CZ 4.14Å; W196-F214 AromaticContact NE1-CG 3.96Å; L209-F214 WeakPolarHBondContact O-CA 3.31Å; L210-F214 HydrophobicContact CD2-CD1 4Å; L210-F214 HydrophobicContact CD2-CE1 3.14Å; L210-F214 HydrophobicContact CD2-CZ 3.61Å; L210-F214 HydrophobicContact CG-CE1 4.4Å; E211-F214 PolarHBondContact O-N 2.99Å; F214-K216 PolarHBondContact O-N 3.36Å; F214-I217 HydrophobicContact CB-CD1 4.38Å; F214-I217 HydrophobicContact CB-CG1 3.92Å; F214-I217 HydrophobicContact CD1-CD1 4.03Å; F214-I217 HydrophobicContact CD1-CG1 4.47Å; F214-I217 PolarHBondContact O-N 3.38Å; F214-G218 CarbonylContact O-C 3.53Å; F214-G218 PolarHBondContact O-N 2.88Å
215S95.6Very high96.7Very high46 Ų4645.2 Ų45.232%0.32225%0.248SC..THydrogen-bonded Turntrans-56-32.3-172.464.40000113.8N212 N213 I217N212-S215 WeakPolarHBondContact CB-OG 3.31Å; N212-S215 WeakPolarHBondContact O-CB 3.4Å; N212-S215 PolarHBondContact O-N 2.95Å; N213-S215 PolarHBondContact O-N 2.7Å; S215-I217 VanDerWaalsContact C-N 3.31Å; S215-I217 PolarHBondContact O-N 3.3Å
216K97.7Very high96.8Very high44 Ų4445.4 Ų45.419%0.19125%0.245CC..THydrogen-bonded Turntrans-66.1-30.4178.4-62.4-161.6-179.5-166.60113.6A159 A160 F162 L209 F214A159-K216 VanDerWaalsContact O-CE 3.27Å; A159-K216 WeakPolarHBondContact O-CE 3.14Å; A159-K216 PolarHBondContact O-NZ 2.88Å; A160-K216 VanDerWaalsContact O-CA 3.31Å; A160-K216 WeakPolarHBondContact O-CA 3.31Å; A160-K216 WeakPolarHBondContact O-CG 3.39Å; F162-K216 HydrophobicContact CD2-CB 4.04Å; F162-K216 HydrophobicContact CE2-CB 4.37Å; F162-K216 HydrophobicContact CE2-CD 4.15Å; F162-K216 PolarHBondContact N-O 3.04Å; L209-K216 HydrophobicContact CD2-CB 4.18Å; L209-K216 HydrophobicContact CD2-CD 4.27Å; F214-K216 PolarHBondContact O-N 3.36Å
217I97.7Very high96.7Very high0 Ų048.9 Ų48.90%027%0.268CS..THydrogen-bonded Turntrans-112.7-11.3-175.664.1174.9000113.2F162 R179 W188 W196 W201 L209 F214 S215F162-I217 HydrophobicContact CB-CG2 4.44Å; F162-I217 HydrophobicContact CD2-CG2 4.27Å; R179-I217 PolarHBondContact NE-O 3.33Å; W188-I217 HydrophobicContact CE3-CB 4.12Å; W188-I217 HydrophobicContact CE3-CG2 4.23Å; W188-I217 HydrophobicContact CZ3-CB 3.85Å; W188-I217 HydrophobicContact CZ3-CG2 3.63Å; W196-I217 HydrophobicContact CD2-CD1 3.88Å; W196-I217 HydrophobicContact CE3-CD1 4.03Å; W196-I217 HydrophobicContact CH2-CD1 3.83Å; W196-I217 HydrophobicContact CH2-CG1 4.24Å; W196-I217 HydrophobicContact CZ2-CB 4.26Å; W196-I217 HydrophobicContact CZ2-CD1 3.7Å; W196-I217 HydrophobicContact CZ2-CG1 3.73Å; W196-I217 HydrophobicContact CZ3-CD1 4.01Å; W201-I217 HydrophobicContact CH2-CD1 4.34Å; W201-I217 HydrophobicContact CZ2-CD1 3.74Å; L209-I217 HydrophobicContact CB-CD1 4.47Å; L209-I217 HydrophobicContact CD1-CG2 4.01Å; L209-I217 HydrophobicContact CD2-CG2 4.03Å; L209-I217 HydrophobicContact CG-CG2 4.44Å; F214-I217 HydrophobicContact CB-CD1 4.38Å; F214-I217 HydrophobicContact CB-CG1 3.92Å; F214-I217 HydrophobicContact CD1-CD1 4.03Å; F214-I217 HydrophobicContact CD1-CG1 4.47Å; F214-I217 PolarHBondContact O-N 3.38Å; S215-I217 VanDerWaalsContact C-N 3.31Å; S215-I217 PolarHBondContact O-N 3.3Å
218G95.6Very high96.7Very high3 Ų344.6 Ų44.63%0.03125%0.248CC..  trans118.9123.7174.300000112.5W196 F214W196-G218 PolarHBondContact NE1-O 3.21Å; F214-G218 CarbonylContact O-C 3.53Å; F214-G218 PolarHBondContact O-N 2.88Å
219S93.2Very high96.7Very high54 Ų5446.6 Ų46.638%0.37827%0.269SS..SBendtrans-97-22.6177.554.10000113.3N213N213-S219 VanDerWaalsContact O-CB 3.28Å; N213-S219 WeakPolarHBondContact O-CB 3.47Å
220E96.1Very high96.7Very high113 Ų11349.8 Ų49.853%0.52830%0.302SS..  trans-118.4139.8-177.6-66.2-177.7-177.800110.1T178 R179T178-E220 HydrophobicContact CG2-CB 4.23Å; T178-E220 PolarHBondContact OG1-OE2 3.41Å; R179-E220 PolarHBondContact N-O 3.25Å
221T97.3Very high96.7Very high42 Ų4247.8 Ų47.826%0.25829%0.293SS..EExtended strand (participates in β ladder)trans-137.7154-177.273.50000110.9R179 L181 L184 Y190R179-T221 CarbonylContact O-C 3.49Å; R179-T221 VanDerWaalsContact O-CA 3.25Å; R179-T221 WeakPolarHBondContact O-CA 3.18Å; L181-T221 WeakPolarHBondContact CD2-OG1 3.43Å; L184-T221 HydrophobicContact CD1-CG2 3.45Å; L184-T221 VanDerWaalsContact CD1-CG2 3.45Å; Y190-T221 HydrophobicContact CE1-CG2 3.95Å; Y190-T221 HydrophobicContact CE2-CG2 4.24Å
222C97.7Very high96.9Very high19 Ų1942.3 Ų42.313%0.12827%0.267CS..EExtended strand (participates in β ladder)trans-148.6156.2173.362.30000111.7T178 R179 L181 A250T178-C222 HydrophobicContact CG2-CB 4.04Å; T178-C222 VanDerWaalsContact CG2-SG 3.56Å; R179-C222 PolarHBondContact O-N 3.09Å; L181-C222 WeakPolarHBondContact CG-O 3.09Å; L181-C222 PolarHBondContact N-O 3.21Å; C222-A250 WeakPolarHBondContact SG-CB 3.33Å
223P97.4Very high97.1Very high40 Ų4038 Ų3826%0.2625%0.245SC..  trans-60.3149.1172.7-21.732.7000111.9L181 S226 A250 P316L181-P223 HydrophobicContact CD1-CG 4.14Å; P223-S226 VanDerWaalsContact O-CB 3.27Å; P223-S226 WeakPolarHBondContact O-CB 3.38Å; P223-S226 PolarHBondContact O-N 3.37Å; P223-S226 PolarHBondContact O-OG 2.53Å; P223-A250 WeakPolarHBondContact O-CB 3.29Å; P223-P316 HydrophobicContact CB-CB 4.11Å; P223-P316 HydrophobicContact CB-CG 3.94Å
224P97.3Very high97.3Very high2 Ų237.4 Ų37.41%0.01325%0.248CC..THydrogen-bonded Turntrans-51.1142.6172.8-26.334.7000112.9C182 S226 L252 S312 L487C182-P224 HydrophobicContact CB-CG 3.96Å; P224-S226 PolarHBondContact O-N 2.67Å; P224-L252 HydrophobicContact CB-CD1 4.37Å; P224-L252 HydrophobicContact CB-CD2 3.44Å; P224-L252 VanDerWaalsContact CB-CD2 3.44Å; P224-L252 HydrophobicContact CB-CG 3.79Å; P224-L252 HydrophobicContact CG-CD2 3.35Å; P224-L252 HydrophobicContact CG-CG 4.25Å; P224-S312 VanDerWaalsContact CD-O 3.31Å; P224-S312 WeakPolarHBondContact CD-O 3.35Å; P224-L487 HydrophobicContact CB-CD2 4Å
225G97.3Very high97.4Very high0 Ų042.2 Ų42.20%027%0.271CS..THydrogen-bonded Turntrans78.8-4.1-17900000115.1A250 A491G225-A250 PolarHBondContact N-O 3.33Å; G225-A491 PolarHBondContact O-N 3.38Å
226S98.1Very high97.5Very high32 Ų3240.1 Ų40.122%0.22426%0.256CS..PPolyproline II helixtrans-62.4139.9171.6-58.80000110.8P223 P224 L228 G249 A250P223-S226 VanDerWaalsContact O-CB 3.27Å; P223-S226 WeakPolarHBondContact O-CB 3.38Å; P223-S226 PolarHBondContact O-N 3.37Å; P223-S226 PolarHBondContact O-OG 2.53Å; P224-S226 PolarHBondContact O-N 2.67Å; S226-L228 PolarHBondContact O-N 2.86Å; S226-G249 CarbonylContact O-C 3.59Å; S226-G249 WeakPolarHBondContact O-CA 3.46Å; S226-A250 PolarHBondContact O-N 3.42Å
227P98.2Very high97.5Very high73 Ų7338 Ų3847%0.47425%0.247SC..BIsolated β-bridgetrans-60.9130.8174.2-16.826.9000111.5A491P227-A491 HydrophobicContact CB-CB 4.5Å
228L98.4Very high97.6Very high4 Ų441.1 Ų41.12%0.02127%0.272CS..PPolyproline II helixtrans-101.9124.2178.2-68.4-179000112T174 T178 S226 G230 G231 V248 A250T174-L228 HydrophobicContact CG2-CB 3.99Å; T178-L228 HydrophobicContact CG2-CD2 4.35Å; S226-L228 PolarHBondContact O-N 2.86Å; L228-G230 PolarHBondContact O-N 3.44Å; L228-G231 PolarHBondContact O-N 3.32Å; L228-V248 PolarHBondContact N-O 3.09Å; L228-A250 HydrophobicContact CD1-CB 4.46Å; L228-A250 HydrophobicContact CD2-CB 4.12Å; L228-A250 HydrophobicContact CG-CB 4.27Å
229A96.8Very high97.7Very high76 Ų7643 Ų4363%0.62828%0.282SS*.THydrogen-bonded Turntrans46.1-132.3-179.800000111.9
230G96.9Very high98Very high67 Ų6740.4 Ų40.469%0.69126%0.264SS*.THydrogen-bonded Turntrans-92.413.8174.700000114.3L228 G245L228-G230 PolarHBondContact O-N 3.44Å; G230-G245 VanDerWaalsContact O-CA 3.31Å; G230-G245 WeakPolarHBondContact O-CA 3.29Å
231G98.5Very high98.1Very high5 Ų536.7 Ų36.75%0.05226%0.256CS..SBendtrans83-151.6-169.600000113T174 L228 T233 T246T174-G231 WeakPolarHBondContact CA-O 3.44Å; L228-G231 PolarHBondContact O-N 3.32Å; G231-T233 PolarHBondContact O-N 3.01Å; G231-T246 CarbonylContact C-O 3.48Å; G231-T246 VanDerWaalsContact CA-O 3.27Å; G231-T246 WeakPolarHBondContact CA-O 3.33Å
232L98.9Very high98.1Very high5 Ų535.2 Ų35.23%0.02625%0.246CC..SBendtrans-58127.5-178.5-68.9-176.8000112A173 A236 A237 L240 L242 G245 T246 V248A173-L232 HydrophobicContact CB-CD2 3.84Å; A173-L232 WeakPolarHBondContact O-CA 3.03Å; L232-A236 HydrophobicContact CD2-CB 4.18Å; L232-A237 HydrophobicContact CB-CB 4.17Å; L232-A237 HydrophobicContact CD1-CB 4.42Å; L232-L240 HydrophobicContact CD1-CD1 4.03Å; L232-L240 HydrophobicContact CD2-CD1 3.62Å; L232-L242 HydrophobicContact CD1-CB 3.7Å; L232-L242 HydrophobicContact CD1-CD1 3.89Å; L232-L242 HydrophobicContact CD1-CG 4.45Å; L232-G245 PolarHBondContact O-N 2.71Å; L232-T246 HydrophobicContact CD1-CG2 4.4Å; L232-T246 PolarHBondContact N-O 3.16Å; L232-V248 HydrophobicContact CD2-CG2 3.56Å; L232-V248 HydrophobicContact CG-CG2 3.94Å
233T98.9Very high98.1Very high40 Ų4037.1 Ų37.125%0.24526%0.255CS..  trans-63.615916865.90000110.6A173 T174 G231 Q235 A236 A237A173-T233 PolarHBondContact O-N 2.77Å; T174-T233 WeakPolarHBondContact O-CG2 3.19Å; G231-T233 PolarHBondContact O-N 3.01Å; T233-Q235 PolarHBondContact O-N 3.46Å; T233-A236 PolarHBondContact O-N 3.35Å; T233-A236 VanDerWaalsContact OG1-CB 3.31Å; T233-A236 WeakPolarHBondContact OG1-CB 3.49Å; T233-A236 PolarHBondContact OG1-N 2.83Å; T233-A236 VanDerWaalsContact OG1-N 3.09Å; T233-A237 VanDerWaalsContact O-CB 3.26Å; T233-A237 WeakPolarHBondContact O-CB 3.32Å; T233-A237 PolarHBondContact O-N 3.4Å
234P98.7Very high98.2Very high99 Ų9939.2 Ų39.264%0.64327%0.269SS*.Hα-helixtrans-54.4-38.8174.9-27.935.9000113.6A238P234-A238 PolarHBondContact O-N 3.33Å; P234-A238 VanDerWaalsContact O-N 3.14Å
235Q98.5Very high98.3Very high123 Ų12341.2 Ų41.258%0.57529%0.29SS*.Hα-helixtrans-67.9-49.8177.1-175.661.652.400111.5T233 A237 A238 D239T233-Q235 PolarHBondContact O-N 3.46Å; Q235-A237 VanDerWaalsContact C-N 3.29Å; Q235-A237 PolarHBondContact O-N 3.21Å; Q235-A238 PolarHBondContact O-N 3.38Å; Q235-D239 PolarHBondContact NE2-OD1 3.42Å; Q235-D239 WeakPolarHBondContact O-CB 3.4Å; Q235-D239 VanDerWaalsContact O-CG 3.28Å; Q235-D239 PolarHBondContact O-N 2.96Å
236A98.6Very high98.3Very high1 Ų141.8 Ų41.81%0.00829%0.293CS..Hα-helixtrans-63.2-37.2-18000000112.2W53 A173 L232 T233 D239 L240W53-A236 HydrophobicContact CH2-CB 4.46Å; W53-A236 HydrophobicContact CZ2-CB 4.16Å; A173-A236 WeakPolarHBondContact O-CB 3.49Å; L232-A236 HydrophobicContact CD2-CB 4.18Å; T233-A236 PolarHBondContact O-N 3.35Å; T233-A236 VanDerWaalsContact OG1-CB 3.31Å; T233-A236 WeakPolarHBondContact OG1-CB 3.49Å; T233-A236 PolarHBondContact OG1-N 2.83Å; T233-A236 VanDerWaalsContact OG1-N 3.09Å; A236-D239 PolarHBondContact O-N 2.82Å; A236-L240 VanDerWaalsContact O-CB 3.32Å; A236-L240 WeakPolarHBondContact O-CB 3.44Å; A236-L240 VanDerWaalsContact O-CG 3.3Å; A236-L240 WeakPolarHBondContact O-CG 3.29Å; A236-L240 PolarHBondContact O-N 2.92Å
237A98.7Very high98.4Very high1 Ų141 Ų411%0.00829%0.29CS..Hα-helixtrans-59.6-46.5173.400000111.9L232 T233 Q235 L240 G241 L242 P244L232-A237 HydrophobicContact CB-CB 4.17Å; L232-A237 HydrophobicContact CD1-CB 4.42Å; T233-A237 VanDerWaalsContact O-CB 3.26Å; T233-A237 WeakPolarHBondContact O-CB 3.32Å; T233-A237 PolarHBondContact O-N 3.4Å; Q235-A237 VanDerWaalsContact C-N 3.29Å; Q235-A237 PolarHBondContact O-N 3.21Å; A237-L240 PolarHBondContact O-N 3.26Å; A237-G241 WeakPolarHBondContact O-CA 3.4Å; A237-G241 PolarHBondContact O-N 3.19Å; A237-L242 CarbonylContact C-O 3.25Å; A237-L242 WeakPolarHBondContact CB-O 3.29Å; A237-L242 PolarHBondContact O-N 3.28Å; A237-P244 HydrophobicContact CB-CB 4.28Å; A237-P244 HydrophobicContact CB-CG 3.87Å
238A98.6Very high98.4Very high64 Ų6437.6 Ų37.653%0.52927%0.267SS..Hα-helixtrans-64.6-40174.800000112.8K61 P234 Q235K61-A238 PolarHBondContact NZ-O 3.13Å; P234-A238 PolarHBondContact O-N 3.33Å; P234-A238 VanDerWaalsContact O-N 3.14Å; Q235-A238 PolarHBondContact O-N 3.38Å
239D98.4Very high98.4Very high42 Ų4237.4 Ų37.423%0.22527%0.266CS..Hα-helixtrans-63.4-41.5177.5-72.6-5.1000111.5W53 C57 K61 Q235 A236W53-D239 HydrophobicContact CZ2-CB 4.44Å; W53-D239 PolarHBondContact NE1-OD2 3.39Å; C57-D239 WeakPolarHBondContact CB-O 3.19Å; K61-D239 WeakPolarHBondContact CE-O 3.45Å; K61-D239 PolarHBondContact NZ-O 2.99Å; Q235-D239 PolarHBondContact NE2-OD1 3.42Å; Q235-D239 WeakPolarHBondContact O-CB 3.4Å; Q235-D239 VanDerWaalsContact O-CG 3.28Å; Q235-D239 PolarHBondContact O-N 2.96Å; A236-D239 PolarHBondContact O-N 2.82Å
240L98.3Very high98.5Very high0 Ų033.9 Ų33.90%024%0.237CC..Hα-helixtrans-87.2-16.1-178.8-67.1164.9000113.9W53 V60 K61 I64 F77 L232 A236 A237 L242W53-L240 HydrophobicContact CH2-CD1 4.01Å; W53-L240 HydrophobicContact CH2-CD2 4.39Å; W53-L240 HydrophobicContact CH2-CG 4.29Å; W53-L240 HydrophobicContact CZ2-CD1 4.47Å; W53-L240 HydrophobicContact CZ2-CG 4.4Å; V60-L240 HydrophobicContact CB-CD2 3.81Å; V60-L240 HydrophobicContact CG1-CB 4.12Å; V60-L240 HydrophobicContact CG1-CD2 3.97Å; V60-L240 HydrophobicContact CG2-CD2 3.84Å; K61-L240 VanDerWaalsContact CG-O 3.31Å; K61-L240 WeakPolarHBondContact CG-O 3.1Å; I64-L240 WeakPolarHBondContact CD1-O 3.37Å; F77-L240 HydrophobicContact CZ-CD1 4.43Å; L232-L240 HydrophobicContact CD1-CD1 4.03Å; L232-L240 HydrophobicContact CD2-CD1 3.62Å; A236-L240 VanDerWaalsContact O-CB 3.32Å; A236-L240 WeakPolarHBondContact O-CB 3.44Å; A236-L240 VanDerWaalsContact O-CG 3.3Å; A236-L240 WeakPolarHBondContact O-CG 3.29Å; A236-L240 PolarHBondContact O-N 2.92Å; A237-L240 PolarHBondContact O-N 3.26Å; L240-L242 HydrophobicContact CB-CD1 4.25Å; L240-L242 HydrophobicContact CB-CG 4.37Å
241G98Very high98.5Very high36 Ų3630.7 Ų30.737%0.37120%0.204SC..THydrogen-bonded Turntrans7828-174.900000114I64 A237I64-G241 WeakPolarHBondContact CD1-O 3.44Å; A237-G241 WeakPolarHBondContact O-CA 3.4Å; A237-G241 PolarHBondContact O-N 3.19Å
242L98.3Very high98.5Very high10 Ų1030.4 Ų30.45%0.05220%0.201CC..SBendtrans-116.9178.7-177.1-69174.9000111.4V60 I64 V72 V75 L232 A237 L240V60-L242 HydrophobicContact CG1-CD1 4.22Å; I64-L242 HydrophobicContact CD1-CD2 3.62Å; I64-L242 HydrophobicContact CD1-CG 3.95Å; I64-L242 HydrophobicContact CG2-CD2 4.3Å; V72-L242 HydrophobicContact CB-CD2 3.72Å; V72-L242 HydrophobicContact CG1-CD1 4.26Å; V72-L242 HydrophobicContact CG1-CD2 3.8Å; V72-L242 HydrophobicContact CG2-CD2 3.87Å; V75-L242 HydrophobicContact CG2-CD1 3.59Å; L232-L242 HydrophobicContact CD1-CB 3.7Å; L232-L242 HydrophobicContact CD1-CD1 3.89Å; L232-L242 HydrophobicContact CD1-CG 4.45Å; A237-L242 CarbonylContact C-O 3.25Å; A237-L242 WeakPolarHBondContact CB-O 3.29Å; A237-L242 PolarHBondContact O-N 3.28Å; L240-L242 HydrophobicContact CB-CD1 4.25Å; L240-L242 HydrophobicContact CB-CG 4.37Å
243N98.3Very high98.5Very high60 Ų6030.4 Ų30.432%0.32120%0.201SC..  trans-83.5139.8177.2-68.3-25.2000111.3S69 D70 G245 T246S69-N243 VanDerWaalsContact C-ND2 3.3Å; S69-N243 WeakPolarHBondContact CB-OD1 3.24Å; S69-N243 PolarHBondContact O-ND2 3.39Å; S69-N243 VanDerWaalsContact OG-CG 3.3Å; S69-N243 PolarHBondContact OG-ND2 2.95Å; S69-N243 PolarHBondContact OG-OD1 3.08Å; D70-N243 WeakPolarHBondContact CA-ND2 3.42Å; D70-N243 PolarHBondContact N-ND2 3.48Å; N243-G245 PolarHBondContact O-N 3.12Å; N243-T246 WeakPolarHBondContact O-CB 3.37Å; N243-T246 PolarHBondContact O-N 3.19Å; N243-T246 VanDerWaalsContact O-N 3.12Å; N243-T246 PolarHBondContact O-OG1 3.3Å
244P98.6Very high98.4Very high83 Ų8330.6 Ų30.654%0.53920%0.201SC..THydrogen-bonded Turntrans-53.3138.5166.5-23.533.5000110.4A237 T246A237-P244 HydrophobicContact CB-CB 4.28Å; A237-P244 HydrophobicContact CB-CG 3.87Å; P244-T246 VanDerWaalsContact C-N 3.31Å; P244-T246 PolarHBondContact O-N 2.91Å
245G98.6Very high98.2Very high45 Ų4526.3 Ų26.346%0.46417%0.174SC..THydrogen-bonded Turntrans80.52-176.900000115.9G230 L232 N243 A247G230-G245 VanDerWaalsContact O-CA 3.31Å; G230-G245 WeakPolarHBondContact O-CA 3.29Å; L232-G245 PolarHBondContact O-N 2.71Å; N243-G245 PolarHBondContact O-N 3.12Å; G245-A247 PolarHBondContact O-N 3.05Å
246T98.8Very high98.2Very high11 Ų1120.5 Ų20.57%0.06715%0.147CC..  trans-54.2130.4166.5-56.70000108.6V72 V75 G231 L232 N243 P244V72-T246 HydrophobicContact CG1-CG2 4.36Å; V75-T246 HydrophobicContact CG2-CG2 4.14Å; G231-T246 CarbonylContact C-O 3.48Å; G231-T246 VanDerWaalsContact CA-O 3.27Å; G231-T246 WeakPolarHBondContact CA-O 3.33Å; L232-T246 HydrophobicContact CD1-CG2 4.4Å; L232-T246 PolarHBondContact N-O 3.16Å; N243-T246 WeakPolarHBondContact O-CB 3.37Å; N243-T246 PolarHBondContact O-N 3.19Å; N243-T246 VanDerWaalsContact O-N 3.12Å; N243-T246 PolarHBondContact O-OG1 3.3Å; P244-T246 VanDerWaalsContact C-N 3.31Å; P244-T246 PolarHBondContact O-N 2.91Å
247A98.8Very high98.2Very high17 Ų1720.5 Ų20.514%0.1415%0.146CC..EExtended strand (participates in β ladder)trans-61.8144.5-172.600000111.6R73 G74 V75 G245 A491R73-A247 WeakPolarHBondContact O-CB 3.19Å; R73-A247 PolarHBondContact O-N 3.42Å; G74-A247 CarbonylContact C-O 3.59Å; G74-A247 WeakPolarHBondContact CA-O 3.45Å; V75-A247 PolarHBondContact N-O 2.97Å; G245-A247 PolarHBondContact O-N 3.05Å; A247-A491 HydrophobicContact CB-CB 4.14Å; A247-A491 WeakPolarHBondContact CB-O 3.39Å
248V98.9Very high98.1Very high1 Ų120.4 Ų20.41%0.00615%0.146CC..EExtended strand (participates in β ladder)trans-128.7125.6174.1-178.60000108.4V75 F77 A173 T174 L228 L232V75-V248 WeakPolarHBondContact O-CA 3.37Å; F77-V248 HydrophobicContact CD2-CG1 4.06Å; F77-V248 HydrophobicContact CE2-CG1 3.99Å; A173-V248 HydrophobicContact CB-CG1 4.37Å; A173-V248 HydrophobicContact CB-CG2 4.32Å; T174-V248 HydrophobicContact CG2-CB 3.44Å; T174-V248 VanDerWaalsContact CG2-CB 3.44Å; T174-V248 HydrophobicContact CG2-CG1 3.7Å; T174-V248 HydrophobicContact CG2-CG2 3.68Å; L228-V248 PolarHBondContact N-O 3.09Å; L232-V248 HydrophobicContact CD2-CG2 3.56Å; L232-V248 HydrophobicContact CG-CG2 3.94Å
249G98.4Very high98Very high0 Ų017.4 Ų17.40%012%0.121CC..BIsolated β-bridgetrans-82.4146.6176.700000112.4V75 S226 S251 A491V75-G249 PolarHBondContact O-N 3.03Å; S226-G249 CarbonylContact O-C 3.59Å; S226-G249 WeakPolarHBondContact O-CA 3.46Å; G249-S251 PolarHBondContact O-N 3.4Å; G249-A491 VanDerWaalsContact CA-CB 3.46Å
250A98.5Very high97.9Very high1 Ų115.4 Ų15.41%0.00811%0.11CC..PPolyproline II helixtrans-52.6135.6165.300000110.4C222 P223 G225 S226 L228C222-A250 WeakPolarHBondContact SG-CB 3.33Å; P223-A250 WeakPolarHBondContact O-CB 3.29Å; G225-A250 PolarHBondContact N-O 3.33Å; S226-A250 PolarHBondContact O-N 3.42Å; L228-A250 HydrophobicContact CD1-CB 4.46Å; L228-A250 HydrophobicContact CD2-CB 4.12Å; L228-A250 HydrophobicContact CG-CB 4.27Å
251S98.3Very high97.8Very high0 Ų015.5 Ų15.50%011%0.111CC..PPolyproline II helixtrans-72.2170.6-163.8740000114.3F77 P166 D167 S180 G249F77-S251 WeakPolarHBondContact O-CA 3.49Å; P166-S251 VanDerWaalsContact C-CB 3.46Å; P166-S251 VanDerWaalsContact C-OG 3.31Å; P166-S251 VanDerWaalsContact CB-OG 3.26Å; P166-S251 WeakPolarHBondContact CB-OG 3.39Å; P166-S251 VanDerWaalsContact O-CB 3.28Å; P166-S251 WeakPolarHBondContact O-CB 3.35Å; D167-S251 PolarHBondContact N-OG 3.14Å; D167-S251 PolarHBondContact OD1-OG 3.44Å; S180-S251 WeakPolarHBondContact CB-O 3.45Å; S180-S251 PolarHBondContact OG-O 3.14Å; G249-S251 PolarHBondContact O-N 3.4Å
252L97.5Very high97.8Very high0 Ų014 Ų140%010%0.095CC..EExtended strand (participates in β ladder)trans-132.6157.8168.7-80.7179.6000111.9F77 D78 A79 P166 C182 P224 H256 A257 L260 L487F77-L252 PolarHBondContact O-N 3.45Å; D78-L252 WeakPolarHBondContact CA-O 3.47Å; D78-L252 HydrophobicContact CB-CB 4.37Å; D78-L252 WeakPolarHBondContact CB-O 3.44Å; A79-L252 PolarHBondContact N-O 3.08Å; P166-L252 VanDerWaalsContact CB-O 3.25Å; P166-L252 WeakPolarHBondContact CB-O 3.41Å; P166-L252 VanDerWaalsContact CG-O 3.28Å; P166-L252 WeakPolarHBondContact CG-O 3.46Å; C182-L252 HydrophobicContact CB-CD2 3.42Å; C182-L252 VanDerWaalsContact CB-CD2 3.42Å; C182-L252 WeakPolarHBondContact SG-CD2 3.29Å; P224-L252 HydrophobicContact CB-CD1 4.37Å; P224-L252 HydrophobicContact CB-CD2 3.44Å; P224-L252 VanDerWaalsContact CB-CD2 3.44Å; P224-L252 HydrophobicContact CB-CG 3.79Å; P224-L252 HydrophobicContact CG-CD2 3.35Å; P224-L252 HydrophobicContact CG-CG 4.25Å; L252-H256 HydrophobicContact CB-CB 4.46Å; L252-H256 HydrophobicContact CD1-CB 4.45Å; L252-H256 HydrophobicContact CD2-CB 4.03Å; L252-A257 HydrophobicContact CB-CB 4.25Å; L252-A257 HydrophobicContact CD1-CB 4.28Å; L252-L260 HydrophobicContact CD1-CD1 3.34Å; L252-L260 HydrophobicContact CD1-CG 3.74Å; L252-L487 HydrophobicContact CB-CD1 4.09Å; L252-L487 HydrophobicContact CD1-CD1 4.14Å; L252-L487 HydrophobicContact CD1-CD2 3.73Å; L252-L487 HydrophobicContact CD1-CG 4.3Å; L252-L487 HydrophobicContact CG-CD1 3.98Å; L252-L487 HydrophobicContact CG-CD2 3.91Å
253I98.4Very high97.6Very high4 Ų413.6 Ų13.62%0.0219%0.093CC..EExtended strand (participates in β ladder)trans-70.8142.6160.8-65.3167.3000108.7A79 C81 P166 C182 T183 C186 K187 A255 H256 A257A79-I253 CarbonylContact O-C 3.58Å; A79-I253 WeakPolarHBondContact O-CA 3.47Å; C81-I253 HydrophobicContact CB-CD1 3.94Å; C81-I253 HydrophobicContact CB-CG1 4.1Å; C81-I253 HydrophobicContact CB-CG2 4.34Å; P166-I253 HydrophobicContact CG-CG1 4.42Å; C182-I253 PolarHBondContact SG-N 3.09Å; C182-I253 VanDerWaalsContact SG-N 3.41Å; T183-I253 HydrophobicContact CG2-CG1 4.13Å; C186-I253 HydrophobicContact CB-CD1 4.23Å; K187-I253 HydrophobicContact CD-CD1 4.34Å; K187-I253 HydrophobicContact CG-CD1 3.65Å; I253-A255 PolarHBondContact O-N 3.21Å; I253-H256 WeakPolarHBondContact CB-ND1 3.37Å; I253-H256 WeakPolarHBondContact O-CA 3.48Å; I253-H256 VanDerWaalsContact O-CB 3.29Å; I253-H256 WeakPolarHBondContact O-CB 3.19Å; I253-H256 PolarHBondContact O-N 3.28Å; I253-A257 PolarHBondContact O-N 3.45Å
254D96.5Very high97.5Very high45 Ų4511 Ų1124%0.2418%0.081CC..Hα-helixtrans-44.1-50.5-176.258.6-3000115.1D78 A79 H256 A257 G258D78-D254 VanDerWaalsContact OD1-CA 3.29Å; D78-D254 WeakPolarHBondContact OD1-CA 3.47Å; A79-D254 PolarHBondContact O-N 3.38Å; D254-H256 PolarHBondContact O-N 3.2Å; D254-A257 WeakPolarHBondContact O-CB 3.46Å; D254-A257 PolarHBondContact O-N 3.19Å; D254-G258 PolarHBondContact O-N 3.5Å
255A95.8Very high97.3Very high9 Ų97.2 Ų7.27%0.0746%0.056CC..Hα-helixtrans-64.7-31.9179.700000111.7I253 G258 G259 I286 C292 M294I253-A255 PolarHBondContact O-N 3.21Å; A255-G258 PolarHBondContact O-N 2.81Å; A255-G259 PolarHBondContact O-N 2.86Å; A255-I286 HydrophobicContact CB-CB 4.4Å; A255-I286 HydrophobicContact CB-CG1 4.47Å; A255-I286 HydrophobicContact CB-CG2 4.29Å; A255-I286 WeakPolarHBondContact O-CD1 3.39Å; A255-I286 VanDerWaalsContact O-CG1 3.29Å; A255-I286 WeakPolarHBondContact O-CG1 3.4Å; A255-C292 HydrophobicContact CB-CB 4.23Å; A255-M294 HydrophobicContact CB-CE 3.29Å; A255-M294 WeakPolarHBondContact O-CE 3.48Å
256H98.2Very high97.1Very high1 Ų18.3 Ų8.31%0.0055%0.051CC..Hα-helixtrans-75.4-36179.7-56.761.2000110.4C182 C186 L252 I253 D254 G259 L260 M314 L320 E322C182-H256 VanDerWaalsContact SG-CD2 3.54Å; C182-H256 VanDerWaalsContact SG-CG 3.6Å; C186-H256 PolarHBondContact SG-NE2 3.46Å; C186-H256 VanDerWaalsContact SG-NE2 3.38Å; L252-H256 HydrophobicContact CB-CB 4.46Å; L252-H256 HydrophobicContact CD1-CB 4.45Å; L252-H256 HydrophobicContact CD2-CB 4.03Å; I253-H256 WeakPolarHBondContact CB-ND1 3.37Å; I253-H256 WeakPolarHBondContact O-CA 3.48Å; I253-H256 VanDerWaalsContact O-CB 3.29Å; I253-H256 WeakPolarHBondContact O-CB 3.19Å; I253-H256 PolarHBondContact O-N 3.28Å; D254-H256 PolarHBondContact O-N 3.2Å; H256-G259 WeakPolarHBondContact O-CA 3.48Å; H256-G259 PolarHBondContact O-N 3.28Å; H256-G259 VanDerWaalsContact O-N 3.16Å; H256-L260 PolarHBondContact O-N 3.27Å; H256-M314 HydrophobicContact CB-CB 4.44Å; H256-M314 HydrophobicContact CB-CG 4.15Å; H256-M314 HydrophobicContact CB-SD 4.45Å; H256-L320 VanDerWaalsContact CD2-CD2 3.48Å; H256-L320 WeakPolarHBondContact CD2-CD2 3.31Å; H256-E322 IonicContact CE1-OE2 3.27Å; H256-E322 IonicContact NE2-OE2 3Å
257A97.9Very high97Very high0 Ų08 Ų80%05%0.05CC..Hα-helixtrans-61.8-43.916900000110.8D78 L252 I253 D254 G259 L260 G261 V480 G483D78-A257 HydrophobicContact CB-CB 3.58Å; L252-A257 HydrophobicContact CB-CB 4.25Å; L252-A257 HydrophobicContact CD1-CB 4.28Å; I253-A257 PolarHBondContact O-N 3.45Å; D254-A257 WeakPolarHBondContact O-CB 3.46Å; D254-A257 PolarHBondContact O-N 3.19Å; A257-G259 VanDerWaalsContact C-N 3.26Å; A257-G259 PolarHBondContact O-N 3.36Å; A257-L260 PolarHBondContact O-N 3.31Å; A257-L260 VanDerWaalsContact O-N 3.13Å; A257-G261 PolarHBondContact O-N 3.08Å; A257-V480 HydrophobicContact CB-CG1 4.22Å; A257-G483 WeakPolarHBondContact O-CA 3.35Å
258G96.9Very high96.7Very high0 Ų014.1 Ų14.10%08%0.075CC..Hα-helixtrans-53.6-42.7169.900000112.9D254 A255 G261 V262D254-G258 PolarHBondContact O-N 3.5Å; A255-G258 PolarHBondContact O-N 2.81Å; G258-G261 PolarHBondContact O-N 3.02Å; G258-V262 WeakPolarHBondContact O-CG2 3.32Å; G258-V262 PolarHBondContact O-N 3.29Å
259G97.1Very high96.5Very high0 Ų017.3 Ų17.30%011%0.108CC..Hα-helixtrans-57.8-49.3173.400000113.2A255 H256 A257 G261 V262 V263A255-G259 PolarHBondContact O-N 2.86Å; H256-G259 WeakPolarHBondContact O-CA 3.48Å; H256-G259 PolarHBondContact O-N 3.28Å; H256-G259 VanDerWaalsContact O-N 3.16Å; A257-G259 VanDerWaalsContact C-N 3.26Å; A257-G259 PolarHBondContact O-N 3.36Å; G259-G261 VanDerWaalsContact C-N 3.28Å; G259-G261 PolarHBondContact O-N 3.48Å; G259-V262 PolarHBondContact O-N 3.16Å; G259-V263 WeakPolarHBondContact O-CB 3.24Å; G259-V263 VanDerWaalsContact O-CG1 3.26Å; G259-V263 WeakPolarHBondContact O-CG1 3.37Å; G259-V263 PolarHBondContact O-N 3.22Å
260L96.6Very high96.3Very high0 Ų021.2 Ų21.20%013%0.126CC..Hα-helixtrans-59.6-39.2174.8-67-162.9000112.6L252 H256 A257 V262 M314 V315 V486 L487 I498 M502L252-L260 HydrophobicContact CD1-CD1 3.34Å; L252-L260 HydrophobicContact CD1-CG 3.74Å; H256-L260 PolarHBondContact O-N 3.27Å; A257-L260 PolarHBondContact O-N 3.31Å; A257-L260 VanDerWaalsContact O-N 3.13Å; L260-V262 PolarHBondContact O-N 3.18Å; L260-M314 HydrophobicContact CD2-CG 3.73Å; L260-M314 HydrophobicContact CG-CG 4.21Å; L260-V315 HydrophobicContact CD2-CG2 3.82Å; L260-V486 HydrophobicContact CD1-CG1 4.22Å; L260-L487 HydrophobicContact CD1-CD2 3.95Å; L260-I498 HydrophobicContact CD1-CD1 3.45Å; L260-I498 VanDerWaalsContact CD1-CD1 3.45Å; L260-I498 HydrophobicContact CD1-CG1 4.2Å; L260-I498 HydrophobicContact CD2-CD1 4.46Å; L260-M502 HydrophobicContact CB-CG 4.4Å; L260-M502 HydrophobicContact CD2-CE 3.88Å; L260-M502 HydrophobicContact CD2-CG 4.4Å; L260-M502 HydrophobicContact CD2-SD 3.65Å
261G96.5Very high96.1Very high3 Ų327.9 Ų27.93%0.03116%0.161CC..Hα-helixtrans-67.1-12.1-178.800000115A257 G258 G259 A479 A506A257-G261 PolarHBondContact O-N 3.08Å; G258-G261 PolarHBondContact O-N 3.02Å; G259-G261 VanDerWaalsContact C-N 3.28Å; G259-G261 PolarHBondContact O-N 3.48Å; G261-A479 WeakPolarHBondContact CA-O 3.48Å; G261-A506 VanDerWaalsContact O-CB 3.31Å; G261-A506 WeakPolarHBondContact O-CB 3.46Å
262V96.6Very high96Very high4 Ų428.3 Ų28.32%0.02416%0.163CC..Hα-helixtrans-129.6-41.3-177.1-57.30000115G258 G259 L260 G264 A265 A284 F448 C450 P474 A479G258-V262 WeakPolarHBondContact O-CG2 3.32Å; G258-V262 PolarHBondContact O-N 3.29Å; G259-V262 PolarHBondContact O-N 3.16Å; L260-V262 PolarHBondContact O-N 3.18Å; V262-G264 VanDerWaalsContact C-N 3.29Å; V262-G264 PolarHBondContact O-N 3.29Å; V262-A265 WeakPolarHBondContact O-CB 3.48Å; V262-A265 PolarHBondContact O-N 3Å; V262-A284 HydrophobicContact CG2-CB 3.75Å; V262-F448 HydrophobicContact CB-CB 4.02Å; V262-F448 HydrophobicContact CG2-CB 3.76Å; V262-F448 VanDerWaalsContact O-CD1 3.23Å; V262-F448 WeakPolarHBondContact O-CD1 3.38Å; V262-C450 HydrophobicContact CG1-CB 3.83Å; V262-P474 HydrophobicContact CG1-CB 4.3Å; V262-P474 HydrophobicContact CG1-CG 4.21Å; V262-A479 HydrophobicContact CG1-CB 3.63Å
263V95.3Very high96Very high2 Ų231.2 Ų31.21%0.01218%0.182CC..Hα-helixtrans-70-28.9-165.377.70000112.7G259 A265 R282 A284 M314 M502G259-V263 WeakPolarHBondContact O-CB 3.24Å; G259-V263 VanDerWaalsContact O-CG1 3.26Å; G259-V263 WeakPolarHBondContact O-CG1 3.37Å; G259-V263 PolarHBondContact O-N 3.22Å; V263-A265 VanDerWaalsContact C-N 3.34Å; V263-R282 HydrophobicContact CG2-CB 3.76Å; V263-R282 WeakPolarHBondContact O-CD 3.23Å; V263-R282 PolarHBondContact O-NH1 3.36Å; V263-A284 HydrophobicContact CB-CB 4.32Å; V263-M314 HydrophobicContact CG1-CE 4.41Å; V263-M502 HydrophobicContact CG1-CE 3.36Å
264G95.3Very high95.9Very high6 Ų631 Ų316%0.06218%0.181CC..THydrogen-bonded Turntrans-85.3-0.4179.900000114.6V262 E503V262-G264 VanDerWaalsContact C-N 3.29Å; V262-G264 PolarHBondContact O-N 3.29Å; G264-E503 WeakPolarHBondContact O-CA 3.42Å
265A95.5Very high95.9Very high2 Ų232.3 Ų32.32%0.01719%0.186CC..  trans-53.3142.4-175.800000112.6V262 V263 V267 R282 F448 A506 V508V262-A265 WeakPolarHBondContact O-CB 3.48Å; V262-A265 PolarHBondContact O-N 3Å; V263-A265 VanDerWaalsContact C-N 3.34Å; A265-V267 PolarHBondContact O-N 3.44Å; A265-R282 PolarHBondContact O-NH1 3.16Å; A265-F448 HydrophobicContact CB-CE1 4.25Å; A265-A506 HydrophobicContact CB-CB 3.83Å; A265-V508 HydrophobicContact CB-CG2 4.08Å
266D93.6Very high95.7Very high68 Ų6835.9 Ų35.936%0.36422%0.224SC..BIsolated β-bridgetrans-68.1121.1171.1-176.16.7000109.8Q268 E503 V508D266-Q268 WeakPolarHBondContact OD1-CB 3.4Å; D266-Q268 PolarHBondContact OD1-N 3.13Å; D266-E503 HydrophobicContact CB-CG 4.41Å; D266-V508 VanDerWaalsContact O-CG2 3.3Å; D266-V508 WeakPolarHBondContact O-CG2 3.09Å
267V95.8Very high95.6Very high6 Ų641.7 Ų41.74%0.03625%0.246CC..  trans-106.33.2-175.6-63.90000112.8A265 G269 F270 L272 E275 F448 V508A265-V267 PolarHBondContact O-N 3.44Å; V267-G269 PolarHBondContact O-N 3.35Å; V267-F270 PolarHBondContact O-N 3.34Å; V267-L272 HydrophobicContact CB-CD1 3.94Å; V267-L272 HydrophobicContact CG1-CD1 3.84Å; V267-E275 HydrophobicContact CG2-CB 4.26Å; V267-E275 HydrophobicContact CG2-CG 4.49Å; V267-F448 HydrophobicContact CG1-CE1 4.13Å; V267-F448 HydrophobicContact CG1-CZ 3.75Å; V267-V508 HydrophobicContact CG1-CG2 4.22Å
268Q94.2Very high95.5Very high144 Ų14444.9 Ų44.967%0.67327%0.266SS*.THydrogen-bonded Turntrans-60.1130.2-176-171.2175.47.200111.4D266 F270 E275D266-Q268 WeakPolarHBondContact OD1-CB 3.4Å; D266-Q268 PolarHBondContact OD1-N 3.13Å; Q268-F270 VanDerWaalsContact C-N 3.32Å; Q268-F270 WeakPolarHBondContact O-CD2 3.5Å; Q268-F270 PolarHBondContact O-N 2.9Å; Q268-E275 WeakPolarHBondContact CA-OE1 3.5Å
269G93.3Very high95.4Very high69 Ų6946.9 Ų46.971%0.71128%0.276SS*.THydrogen-bonded Turntrans79.28.7177.100000115.5V267 E275V267-G269 PolarHBondContact O-N 3.35Å; G269-E275 PolarHBondContact N-OE1 3.03Å
270F94.8Very high95.5Very high82 Ų8248.1 Ų48.136%0.3628%0.284SS..SBendtrans-96.42.6174.4-70.8-84.3000113.8V267 Q268 L272 V508 V511V267-F270 PolarHBondContact O-N 3.34Å; Q268-F270 VanDerWaalsContact C-N 3.32Å; Q268-F270 WeakPolarHBondContact O-CD2 3.5Å; Q268-F270 PolarHBondContact O-N 2.9Å; F270-L272 VanDerWaalsContact C-N 3.26Å; F270-L272 HydrophobicContact CB-CD1 3.93Å; F270-L272 HydrophobicContact CB-CG 4.04Å; F270-L272 PolarHBondContact O-N 3.04Å; F270-V508 HydrophobicContact CD1-CB 4.36Å; F270-V508 HydrophobicContact CD1-CG1 3.55Å; F270-V508 HydrophobicContact CD2-CB 4.1Å; F270-V508 HydrophobicContact CD2-CG1 4.09Å; F270-V508 HydrophobicContact CD2-CG2 4.3Å; F270-V508 HydrophobicContact CE1-CB 3.99Å; F270-V508 HydrophobicContact CE1-CG1 3.44Å; F270-V508 VanDerWaalsContact CE1-CG1 3.44Å; F270-V508 HydrophobicContact CE2-CB 3.71Å; F270-V508 HydrophobicContact CE2-CG1 3.99Å; F270-V508 HydrophobicContact CE2-CG2 4.24Å; F270-V508 HydrophobicContact CG-CB 4.41Å; F270-V508 HydrophobicContact CG-CG1 3.87Å; F270-V508 HydrophobicContact CZ-CB 3.64Å; F270-V508 HydrophobicContact CZ-CG1 3.67Å; F270-V511 HydrophobicContact CB-CG2 4.25Å; F270-V511 HydrophobicContact CD1-CG2 4.08Å
271D93.7Very high95.5Very high141 Ų14148.3 Ų48.375%0.75429%0.285SS*.  trans5444.1179.3-165.432.3000112
272L96.9Very high95.6Very high8 Ų849 Ų494%0.04229%0.287CS..  trans-93.9141-179.1-74.5169.7000110.3V267 F270 C274 E275 T446 P470 V472 V511V267-L272 HydrophobicContact CB-CD1 3.94Å; V267-L272 HydrophobicContact CG1-CD1 3.84Å; F270-L272 VanDerWaalsContact C-N 3.26Å; F270-L272 HydrophobicContact CB-CD1 3.93Å; F270-L272 HydrophobicContact CB-CG 4.04Å; F270-L272 PolarHBondContact O-N 3.04Å; L272-C274 PolarHBondContact O-N 3.36Å; L272-E275 WeakPolarHBondContact O-CB 3.36Å; L272-E275 PolarHBondContact O-N 2.83Å; L272-T446 HydrophobicContact CD2-CG2 4.09Å; L272-P470 HydrophobicContact CD2-CB 3.83Å; L272-V472 HydrophobicContact CD1-CG2 3.6Å; L272-V472 HydrophobicContact CD2-CG2 3.99Å; L272-V472 HydrophobicContact CG-CG2 4.48Å; L272-V511 HydrophobicContact CD1-CG2 4.26Å; L272-V511 HydrophobicContact CD2-CG1 3.65Å; L272-V511 HydrophobicContact CD2-CG2 4.17Å; L272-V511 HydrophobicContact CG-CG2 4.39Å
273P96.9Very high95.7Very high61 Ų6148.9 Ų48.940%0.39629%0.286SS..THydrogen-bonded Turntrans-61.3-17.1177.3-25.234.7000114.9W277 R445 P470P273-W277 VanDerWaalsContact O-CD1 3.31Å; P273-R445 HydrophobicContact CB-CB 4.25Å; P273-R445 WeakPolarHBondContact O-CD 3.32Å; P273-P470 HydrophobicContact CG-CG 3.88Å
274C96.5Very high95.8Very high0 Ų048.8 Ų48.80%029%0.286CS..THydrogen-bonded Turntrans-90.1-3.3174.470.50000113.7L272 G276 W277 R282 R445 T446L272-C274 PolarHBondContact O-N 3.36Å; C274-G276 PolarHBondContact O-N 3.15Å; C274-W277 WeakPolarHBondContact O-CB 3.15Å; C274-W277 PolarHBondContact O-N 3.47Å; C274-R282 HydrophobicContact CB-CG 4.21Å; C274-R445 HydrophobicContact CB-CB 4.28Å; C274-T446 WeakPolarHBondContact CB-OG1 3.37Å; C274-T446 PolarHBondContact SG-OG1 2.88Å; C274-T446 VanDerWaalsContact SG-OG1 3.33Å
275E95.6Very high95.9Very high72 Ų7248.5 Ų48.534%0.33628%0.283SS..THydrogen-bonded Turntrans-63.6129.7173-170.9171.1179.200109.5V267 Q268 G269 L272 W277V267-E275 HydrophobicContact CG2-CB 4.26Å; V267-E275 HydrophobicContact CG2-CG 4.49Å; Q268-E275 WeakPolarHBondContact CA-OE1 3.5Å; G269-E275 PolarHBondContact N-OE1 3.03Å; L272-E275 WeakPolarHBondContact O-CB 3.36Å; L272-E275 PolarHBondContact O-N 2.83Å; E275-W277 PolarHBondContact O-N 3.11Å
276G92.8Very high96Very high85 Ų8549.3 Ų49.388%0.87629%0.287SS*.THydrogen-bonded Turntrans76.51.4-172.900000115.5C274C274-G276 PolarHBondContact O-N 3.15Å
277W96.3Very high96.1Very high123 Ų12346.1 Ų46.147%0.46627%0.269SS..SBendtrans-103.2153173.3-69.882.4000111.4P273 C274 E275 S281P273-W277 VanDerWaalsContact O-CD1 3.31Å; C274-W277 WeakPolarHBondContact O-CB 3.15Å; C274-W277 PolarHBondContact O-N 3.47Å; E275-W277 PolarHBondContact O-N 3.11Å; W277-S281 WeakPolarHBondContact CB-OG 3.18Å
278P95.1Very high95.8Very high67 Ų6747.2 Ų47.244%0.43528%0.282SS..  trans-61.2156.8176.626.5-35.7000111.4T280 S281P278-T280 WeakPolarHBondContact CG-OG1 3.41Å; P278-T280 PolarHBondContact O-N 2.8Å; P278-S281 PolarHBondContact O-N 2.8Å; P278-S281 PolarHBondContact O-OG 3.11Å; P278-S281 VanDerWaalsContact O-OG 3.14Å
279I95.9Very high95.5Very high41 Ų4144.4 Ų44.421%0.2128%0.275CS..G310 helixtrans-56.3-18.7177.662172.5000113.4S281 R282 I296 L318 Q499I279-S281 PolarHBondContact O-N 2.86Å; I279-R282 WeakPolarHBondContact O-CB 3.37Å; I279-R282 PolarHBondContact O-N 3.03Å; I279-I296 HydrophobicContact CB-CD1 4.34Å; I279-I296 HydrophobicContact CD1-CD1 3.62Å; I279-I296 HydrophobicContact CG1-CD1 3.76Å; I279-L318 HydrophobicContact CD1-CD1 3.97Å; I279-L318 HydrophobicContact CG1-CD1 4.44Å; I279-Q499 HydrophobicContact CD1-CG 4.3Å
280T97.4Very high95.4Very high26 Ų2642.6 Ų42.616%0.1625%0.251CS..G310 helixtrans-69.1-12174600000114P278 R282 I296 E298P278-T280 WeakPolarHBondContact CG-OG1 3.41Å; P278-T280 PolarHBondContact O-N 2.8Å; T280-R282 PolarHBondContact O-N 3.27Å; T280-I296 WeakPolarHBondContact CA-O 3.2Å; T280-I296 VanDerWaalsContact CB-O 3.28Å; T280-I296 WeakPolarHBondContact CB-O 3.5Å; T280-I296 HydrophobicContact CG2-CG1 4.28Å; T280-I296 WeakPolarHBondContact CG2-O 3.36Å; T280-E298 HydrophobicContact CG2-CG 4.49Å
281S97.7Very high95.5Very high4 Ų438.7 Ų38.73%0.02823%0.234CC..G310 helixtrans-86.29.2172.581.40000113.1W277 P278 I279 D443 R445W277-S281 WeakPolarHBondContact CB-OG 3.18Å; P278-S281 PolarHBondContact O-N 2.8Å; P278-S281 PolarHBondContact O-OG 3.11Å; P278-S281 VanDerWaalsContact O-OG 3.14Å; I279-S281 PolarHBondContact O-N 2.86Å; S281-D443 VanDerWaalsContact CA-O 3.31Å; S281-D443 WeakPolarHBondContact CA-O 3.5Å; S281-D443 WeakPolarHBondContact CB-O 3.2Å; S281-R445 PolarHBondContact O-N 2.77Å
282R98.1Very high95.7Very high19 Ų1932.6 Ų32.67%0.07220%0.202CC..EExtended strand (participates in β ladder)trans-118.9147.2-174.6-51.2175-174.7-170.2-1.6109.1V263 A265 C274 I279 T280 F448V263-R282 HydrophobicContact CG2-CB 3.76Å; V263-R282 WeakPolarHBondContact O-CD 3.23Å; V263-R282 PolarHBondContact O-NH1 3.36Å; A265-R282 PolarHBondContact O-NH1 3.16Å; C274-R282 HydrophobicContact CB-CG 4.21Å; I279-R282 WeakPolarHBondContact O-CB 3.37Å; I279-R282 PolarHBondContact O-N 3.03Å; T280-R282 PolarHBondContact O-N 3.27Å; R282-F448 HydrophobicContact CB-CD2 3.96Å; R282-F448 HydrophobicContact CB-CE2 3.74Å; R282-F448 HydrophobicContact CG-CD2 4.42Å; R282-F448 HydrophobicContact CG-CE2 3.7Å; R282-F448 HydrophobicContact CG-CZ 4.36Å
283M98.5Very high95.7Very high0 Ų032.2 Ų32.20%020%0.2CC..EExtended strand (participates in β ladder)trans-121.8128.7170.8173.1-177-70.900109.6M285 H293 M294 A295 L434 M437 I444 T446 L447 F448M283-M285 HydrophobicContact CG-CG 4.37Å; M283-M285 HydrophobicContact SD-CG 4.35Å; M283-H293 HydrophobicContact SD-CB 3.92Å; M283-M294 WeakPolarHBondContact CA-O 3.2Å; M283-A295 HydrophobicContact CE-CB 4.28Å; M283-L434 HydrophobicContact CE-CD2 3.44Å; M283-L434 VanDerWaalsContact CE-CD2 3.44Å; M283-L434 HydrophobicContact CE-CG 4.3Å; M283-L434 HydrophobicContact SD-CD2 3.76Å; M283-L434 HydrophobicContact SD-CG 4.4Å; M283-M437 HydrophobicContact CE-CE 4.15Å; M283-M437 HydrophobicContact CE-SD 3.21Å; M283-M437 WeakPolarHBondContact CE-SD 3.42Å; M283-I444 HydrophobicContact CB-CD1 4.3Å; M283-I444 HydrophobicContact CB-CG1 4.45Å; M283-I444 HydrophobicContact CB-CG2 3.69Å; M283-I444 HydrophobicContact CE-CG1 4.3Å; M283-T446 PolarHBondContact N-O 3.37Å; M283-T446 VanDerWaalsContact N-O 3.12Å; M283-L447 HydrophobicContact CB-CD2 3.99Å; M283-L447 HydrophobicContact CG-CD2 4.37Å; M283-L447 CarbonylContact O-C 3.52Å; M283-L447 WeakPolarHBondContact O-CA 3.18Å; M283-L447 HydrophobicContact SD-CD2 4.09Å; M283-F448 PolarHBondContact O-N 2.89Å
284A98.3Very high95.8Very high0 Ų029.4 Ų29.40%018%0.182CC..EExtended strand (participates in β ladder)trans-85.8137168.800000110.3V262 V263 I286 M294 F448V262-A284 HydrophobicContact CG2-CB 3.75Å; V263-A284 HydrophobicContact CB-CB 4.32Å; A284-I286 HydrophobicContact CB-CD1 4.02Å; A284-M294 HydrophobicContact CB-CB 4.35Å; A284-M294 PolarHBondContact N-O 3.32Å; A284-M294 PolarHBondContact O-N 3.09Å; A284-F448 CarbonylContact C-O 3.45Å; A284-F448 WeakPolarHBondContact CA-O 3.16Å
285M98.1Very high95.9Very high0 Ų029.4 Ų29.40%018%0.182CC..EExtended strand (participates in β ladder)trans-123110.2174.9-70.9-179.75700109.3M283 C287 T291 C292 H293 T430 L447 F448 L449 C450M283-M285 HydrophobicContact CG-CG 4.37Å; M283-M285 HydrophobicContact SD-CG 4.35Å; M285-C287 PolarHBondContact O-N 3.14Å; M285-T291 HydrophobicContact CB-CG2 4.49Å; M285-T291 HydrophobicContact CE-CG2 4.15Å; M285-C292 WeakPolarHBondContact CA-O 3.43Å; M285-H293 WeakPolarHBondContact CE-NE2 3.43Å; M285-T430 HydrophobicContact CE-CG2 3.79Å; M285-T430 HydrophobicContact SD-CG2 3.82Å; M285-L447 HydrophobicContact SD-CB 4.37Å; M285-L447 HydrophobicContact SD-CD1 3.97Å; M285-L447 HydrophobicContact SD-CD2 4.29Å; M285-L447 HydrophobicContact SD-CG 4.43Å; M285-F448 PolarHBondContact N-O 2.79Å; M285-L449 HydrophobicContact CB-CD1 3.72Å; M285-L449 HydrophobicContact CB-CG 3.86Å; M285-L449 HydrophobicContact CE-CD1 4.38Å; M285-L449 HydrophobicContact CG-CD1 4.11Å; M285-L449 WeakPolarHBondContact O-CA 3.49Å; M285-L449 HydrophobicContact SD-CD1 3.71Å; M285-L449 HydrophobicContact SD-CG 4.47Å; M285-C450 PolarHBondContact O-N 2.92Å
286I96.9Very high96Very high20 Ų2026.1 Ų26.110%0.10317%0.167CC..EExtended strand (participates in β ladder)trans-96.3100.9179.7-6473.1000106.9A255 A284 T291 C292 M294A255-I286 HydrophobicContact CB-CB 4.4Å; A255-I286 HydrophobicContact CB-CG1 4.47Å; A255-I286 HydrophobicContact CB-CG2 4.29Å; A255-I286 WeakPolarHBondContact O-CD1 3.39Å; A255-I286 VanDerWaalsContact O-CG1 3.29Å; A255-I286 WeakPolarHBondContact O-CG1 3.4Å; A284-I286 HydrophobicContact CB-CD1 4.02Å; I286-T291 VanDerWaalsContact O-CA 3.29Å; I286-T291 WeakPolarHBondContact O-CA 3.48Å; I286-C292 PolarHBondContact N-O 2.89Å; I286-C292 PolarHBondContact O-N 3.43Å; I286-C292 VanDerWaalsContact O-N 3.13Å; I286-M294 HydrophobicContact CD1-CE 3.88Å; I286-M294 HydrophobicContact CD1-CG 4.35Å; I286-M294 HydrophobicContact CD1-SD 4.06Å
287C94.4Very high96.2Very high0 Ų022.5 Ų22.50%013%0.128CC..EExtended strand (participates in β ladder)trans-101.5107.3-167.4-570000111.6M285 C450 G451 G452 L453 F459M285-C287 PolarHBondContact O-N 3.14Å; C287-C450 WeakPolarHBondContact CB-O 3.25Å; C287-C450 PolarHBondContact N-O 3.03Å; C287-G451 CarbonylContact O-C 3.52Å; C287-G451 VanDerWaalsContact O-CA 3.31Å; C287-G451 WeakPolarHBondContact O-CA 3.13Å; C287-G452 PolarHBondContact O-N 3.41Å; C287-L453 HydrophobicContact CB-CB 3.89Å; C287-L453 PolarHBondContact O-N 3.13Å; C287-L453 VanDerWaalsContact O-N 3.11Å; C287-F459 HydrophobicContact CB-CE1 4.35Å
288G90.4Very high96.3Very high29 Ų2922.7 Ų22.730%0.29913%0.134SC..SBendtrans-137.3-135.6179.300000112.4S290 T328 G329G288-S290 CarbonylContact C-O 3.2Å; G288-S290 VanDerWaalsContact C-O 3.25Å; G288-S290 WeakPolarHBondContact CA-O 3.25Å; G288-S290 PolarHBondContact N-O 3.4Å; G288-S290 PolarHBondContact O-N 2.93Å; G288-T328 PolarHBondContact O-OG1 3.1Å; G288-G329 WeakPolarHBondContact O-CA 3.39Å; G288-G329 PolarHBondContact O-N 3.28Å
289T87.6Confident96.3Very high86 Ų8625.2 Ų25.253%0.52814%0.14SC..SBendtrans-59.6-39.5172.550.80000111.3T328 G329 R330T289-T328 PolarHBondContact O-N 2.79Å; T289-G329 PolarHBondContact O-N 3.31Å; T289-R330 PolarHBondContact O-N 3.3Å; T289-R330 VanDerWaalsContact O-N 3.1Å
290S91.7Very high96.3Very high30 Ų3026.4 Ų26.421%0.2115%0.151CC..SBendtrans-115.9171.6163.761.60000109.5G288 Q325 S326 T328G288-S290 CarbonylContact C-O 3.2Å; G288-S290 VanDerWaalsContact C-O 3.25Å; G288-S290 WeakPolarHBondContact CA-O 3.25Å; G288-S290 PolarHBondContact N-O 3.4Å; G288-S290 PolarHBondContact O-N 2.93Å; S290-Q325 WeakPolarHBondContact CA-O 3.28Å; S290-Q325 VanDerWaalsContact CB-O 3.29Å; S290-Q325 WeakPolarHBondContact CB-O 3.42Å; S290-S326 WeakPolarHBondContact CB-O 3.49Å; S290-T328 WeakPolarHBondContact CA-OG1 3.44Å; S290-T328 PolarHBondContact O-OG1 2.93Å
291T96.6Very high96.1Very high0 Ų028.7 Ų28.70%016%0.156CC..EExtended strand (participates in β ladder)trans-124.1130.9173.3-62.70000110.5M285 I286 G324 Q325 T328M285-T291 HydrophobicContact CB-CG2 4.49Å; M285-T291 HydrophobicContact CE-CG2 4.15Å; I286-T291 VanDerWaalsContact O-CA 3.29Å; I286-T291 WeakPolarHBondContact O-CA 3.48Å; T291-G324 CarbonylContact O-C 3.56Å; T291-G324 WeakPolarHBondContact O-CA 3.33Å; T291-Q325 PolarHBondContact N-O 2.98Å; T291-Q325 PolarHBondContact O-N 2.69Å; T291-T328 PolarHBondContact N-OG1 3.06Å; T291-T328 WeakPolarHBondContact OG1-CB 3.43Å; T291-T328 VanDerWaalsContact OG1-CG2 3.24Å; T291-T328 WeakPolarHBondContact OG1-CG2 3.36Å; T291-T328 PolarHBondContact OG1-OG1 3.28Å
292C97.1Very high95.9Very high13 Ų1334.6 Ų34.69%0.08819%0.186CC..EExtended strand (participates in β ladder)trans-102.7135.1171.8-61.50000110.3A255 M285 I286 M294A255-C292 HydrophobicContact CB-CB 4.23Å; M285-C292 WeakPolarHBondContact CA-O 3.43Å; I286-C292 PolarHBondContact N-O 2.89Å; I286-C292 PolarHBondContact O-N 3.43Å; I286-C292 VanDerWaalsContact O-N 3.13Å; C292-M294 HydrophobicContact CB-CE 3.79Å
293H98.4Very high95.6Very high0 Ų033.9 Ų33.90%018%0.184CC..EExtended strand (participates in β ladder)trans-113.4104.3-179.6-61.577.1000109.1M283 M285 G323 Q325 T430 I433M283-H293 HydrophobicContact SD-CB 3.92Å; M285-H293 WeakPolarHBondContact CE-NE2 3.43Å; H293-G323 PolarHBondContact N-O 3.33Å; H293-G323 PolarHBondContact O-N 2.92Å; H293-Q325 PolarHBondContact CE1-OE1 3.11Å; H293-T430 WeakPolarHBondContact NE2-CG2 3.4Å; H293-T430 PolarHBondContact NE2-OG1 3.01Å; H293-I433 HydrophobicContact CB-CG2 4.27Å
294M98.2Very high95.1Very high2 Ų238.6 Ų38.61%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-108.3119.2-171.8-61.1-170.8-165.300111A255 M283 A284 I286 C292 M314 L320 E322A255-M294 HydrophobicContact CB-CE 3.29Å; A255-M294 WeakPolarHBondContact O-CE 3.48Å; M283-M294 WeakPolarHBondContact CA-O 3.2Å; A284-M294 HydrophobicContact CB-CB 4.35Å; A284-M294 PolarHBondContact N-O 3.32Å; A284-M294 PolarHBondContact O-N 3.09Å; I286-M294 HydrophobicContact CD1-CE 3.88Å; I286-M294 HydrophobicContact CD1-CG 4.35Å; I286-M294 HydrophobicContact CD1-SD 4.06Å; C292-M294 HydrophobicContact CB-CE 3.79Å; M294-M314 HydrophobicContact SD-SD 3.7Å; M294-L320 HydrophobicContact CB-CD1 3.81Å; M294-L320 HydrophobicContact CG-CD1 4.22Å; M294-E322 HydrophobicContact CG-CG 4.43Å
295A98.2Very high94.6Very high0 Ų039 Ų390%022%0.219CC..EExtended strand (participates in β ladder)trans-124131.5175.500000110.1M283 N321 M437 Y442 I444M283-A295 HydrophobicContact CE-CB 4.28Å; A295-N321 PolarHBondContact N-O 3.35Å; A295-N321 PolarHBondContact O-N 3.02Å; A295-M437 HydrophobicContact CB-CE 4.3Å; A295-M437 HydrophobicContact CB-SD 3.85Å; A295-Y442 HydrophobicContact CB-CD1 3.9Å; A295-Y442 HydrophobicContact CB-CE1 3.56Å; A295-Y442 PolarHBondContact O-OH 3.38Å; A295-I444 HydrophobicContact CB-CD1 4.18Å
296I97.9Very high94.3Very high3 Ų339.1 Ų39.12%0.01522%0.22CC..EExtended strand (participates in β ladder)trans-106.1148.9-179.556.3-177.4000111.4I279 T280 M314 V315 L318 W319 L320I279-I296 HydrophobicContact CB-CD1 4.34Å; I279-I296 HydrophobicContact CD1-CD1 3.62Å; I279-I296 HydrophobicContact CG1-CD1 3.76Å; T280-I296 WeakPolarHBondContact CA-O 3.2Å; T280-I296 VanDerWaalsContact CB-O 3.28Å; T280-I296 WeakPolarHBondContact CB-O 3.5Å; T280-I296 HydrophobicContact CG2-CG1 4.28Å; T280-I296 WeakPolarHBondContact CG2-O 3.36Å; I296-M314 HydrophobicContact CG2-CE 3.53Å; I296-V315 HydrophobicContact CD1-CG2 4.17Å; I296-L318 HydrophobicContact CB-CB 4.41Å; I296-L318 HydrophobicContact CB-CD1 4.39Å; I296-L318 HydrophobicContact CD1-CD1 3.82Å; I296-L318 HydrophobicContact CG1-CD1 4.36Å; I296-W319 CarbonylContact C-O 3.57Å; I296-W319 VanDerWaalsContact CA-O 3.23Å; I296-W319 WeakPolarHBondContact CA-O 3.39Å; I296-L320 HydrophobicContact CG2-CD1 4.22Å
297S97.9Very high94.2Very high9 Ų939.4 Ų39.46%0.06322%0.22CC..EExtended strand (participates in β ladder)trans-145.8154.5177.7-159.50000111.7Q299 R301 W319S297-Q299 VanDerWaalsContact C-N 3.27Å; S297-Q299 WeakPolarHBondContact CB-O 3.35Å; S297-R301 PolarHBondContact OG-NE 3.29Å; S297-W319 PolarHBondContact N-O 2.82Å; S297-W319 PolarHBondContact O-N 3.11Å
298E97.1Very high94.1Very high127 Ų12739.5 Ų39.559%0.59322%0.221SC*.SBendtrans-72.5-22.4173.3-62.8177.3169.900112.5T280 L318T280-E298 HydrophobicContact CG2-CG 4.49Å; E298-L318 HydrophobicContact CG-CD2 4.03Å
299Q96.1Very high94.3Very high121 Ų12138.8 Ų38.857%0.56521%0.21SC*.SBendtrans-118.8149.3-177.6-63.1-61.6-36.700110.6S297 R301 W319S297-Q299 VanDerWaalsContact C-N 3.27Å; S297-Q299 WeakPolarHBondContact CB-O 3.35Å; Q299-R301 PolarHBondContact O-N 2.87Å; Q299-W319 VanDerWaalsContact C-CD1 3.46Å
300P95.5Very high94.8Very high66 Ų6634.7 Ų34.743%0.42919%0.185SC..  trans-65125.617427.2-32.4000109.7P309 W319P300-P309 HydrophobicContact CB-CB 4.21Å; P300-P309 HydrophobicContact CB-CG 3.8Å; P300-W319 HydrophobicContact CB-CD2 3.77Å; P300-W319 HydrophobicContact CB-CE3 3.91Å; P300-W319 HydrophobicContact CB-CG 4.35Å; P300-W319 HydrophobicContact CB-CH2 4.07Å; P300-W319 HydrophobicContact CB-CZ2 3.98Å; P300-W319 HydrophobicContact CB-CZ3 4.04Å; P300-W319 HydrophobicContact CG-CZ2 4.1Å
301R94.4Very high95Very high73 Ų7335.1 Ų35.128%0.27519%0.185SC..  trans-120.8121.1175.8-65.5179.3-175.1-80.81.1109.1S297 Q299 P309 N321 A440 G441 Y442S297-R301 PolarHBondContact OG-NE 3.29Å; Q299-R301 PolarHBondContact O-N 2.87Å; R301-P309 WeakPolarHBondContact O-CB 3.39Å; R301-P309 WeakPolarHBondContact O-CD 3.29Å; R301-N321 PolarHBondContact O-ND2 3.05Å; R301-N321 PolarHBondContact O-OD1 3.41Å; R301-A440 PolarHBondContact NH1-O 2.89Å; R301-G441 PolarHBondContact NH1-O 2.93Å; R301-G441 VanDerWaalsContact NH1-O 3.08Å; R301-G441 PolarHBondContact NH2-O 3.47Å; R301-Y442 HydrophobicContact CB-CE2 3.79Å; R301-Y442 VanDerWaalsContact CD-CE2 3.43Å; R301-Y442 HydrophobicContact CG-CE2 4.23Å
302I92.7Very high95.1Very high129 Ų12935.4 Ų35.466%0.66219%0.187SC*.  trans-87.3121.7173.1-59.9175.2000107.3
303V92.7Very high95.1Very high3 Ų334.8 Ų34.82%0.01818%0.183CC..  trans-118.3113.2177.6-173.30000107.4G305 V306 M437 A440 Y442V303-G305 PolarHBondContact O-N 3.42Å; V303-V306 HydrophobicContact CB-CB 3.82Å; V303-V306 HydrophobicContact CB-CG1 4.23Å; V303-V306 HydrophobicContact CB-CG2 4.28Å; V303-V306 HydrophobicContact CG1-CB 3.85Å; V303-V306 HydrophobicContact CG1-CG1 4.48Å; V303-V306 HydrophobicContact CG1-CG2 3.73Å; V303-V306 PolarHBondContact O-N 3.38Å; V303-V306 VanDerWaalsContact O-N 3.1Å; V303-M437 HydrophobicContact CG1-CG 4.16Å; V303-A440 HydrophobicContact CB-CB 4.3Å; V303-A440 HydrophobicContact CG1-CB 4.43Å; V303-A440 HydrophobicContact CG2-CB 3.58Å; V303-Y442 HydrophobicContact CG2-CD2 4.48Å; V303-Y442 HydrophobicContact CG2-CE2 4.04Å
304P87.8Confident95Very high99 Ų9934.9 Ų34.964%0.64318%0.184SC*.THydrogen-bonded Turntrans-52.3131.8179.8-28.136000112.3V306P304-V306 PolarHBondContact O-N 2.93Å
305G86.7Confident95Very high10 Ų1034.9 Ų34.910%0.10318%0.183CC..THydrogen-bonded Turntrans63.516.7-179.500000116.2V303 R391 S392 P393V303-G305 PolarHBondContact O-N 3.42Å; G305-R391 VanDerWaalsContact O-O 3.07Å; G305-S392 WeakPolarHBondContact O-CA 3.49Å; G305-S392 WeakPolarHBondContact O-CB 3.44Å; G305-S392 PolarHBondContact O-OG 2.93Å; G305-P393 WeakPolarHBondContact CA-O 3.37Å
306V92.5Very high94.8Very high2 Ų235.9 Ų35.91%0.01219%0.19CC..SBendtrans-117141.3169.5167.50000108V303 P304 N321 M437V303-V306 HydrophobicContact CB-CB 3.82Å; V303-V306 HydrophobicContact CB-CG1 4.23Å; V303-V306 HydrophobicContact CB-CG2 4.28Å; V303-V306 HydrophobicContact CG1-CB 3.85Å; V303-V306 HydrophobicContact CG1-CG1 4.48Å; V303-V306 HydrophobicContact CG1-CG2 3.73Å; V303-V306 PolarHBondContact O-N 3.38Å; V303-V306 VanDerWaalsContact O-N 3.1Å; P304-V306 PolarHBondContact O-N 2.93Å; V306-N321 HydrophobicContact CG1-CB 3.94Å; V306-M437 HydrophobicContact CG1-CE 3.83Å; V306-M437 HydrophobicContact CG2-CE 4.46Å
307W93.6Very high94.7Very high26 Ų2641.9 Ų41.910%0.09822%0.222CC..EExtended strand (participates in β ladder)trans-74.3147.4179.4-66.6-8.7000111V131 M139 Y310 N321 E322V131-W307 VanDerWaalsContact C-CD1 3.42Å; V131-W307 PolarHBondContact O-NE1 3.01Å; M139-W307 HydrophobicContact CE-CD2 3.87Å; M139-W307 HydrophobicContact CE-CE3 4Å; M139-W307 HydrophobicContact CE-CH2 3.96Å; M139-W307 HydrophobicContact CE-CZ2 3.77Å; M139-W307 HydrophobicContact CE-CZ3 4.08Å; W307-Y310 HydrophobicContact CB-CE2 3.86Å; W307-Y310 WeakPolarHBondContact CB-OH 3.49Å; W307-N321 CarbonylContact O-C 3.54Å; W307-N321 VanDerWaalsContact O-CA 3.28Å; W307-N321 WeakPolarHBondContact O-CA 3.41Å; W307-N321 PolarHBondContact O-OD1 3.43Å; W307-E322 HydrophobicContact CB-CB 4.24Å; W307-E322 WeakPolarHBondContact CB-O 3.42Å; W307-E322 PolarHBondContact N-O 3.21Å; W307-E322 PolarHBondContact O-N 3.39Å
308G93.3Very high94.7Very high2 Ų242.5 Ų42.52%0.02123%0.225CC..EExtended strand (participates in β ladder)trans109.3-173.8-172.200000112.9R130R130-G308 WeakPolarHBondContact O-CA 3.41Å; R130-G308 PolarHBondContact O-N 3.3Å
309P95.3Very high94.8Very high13 Ų1339.2 Ų39.28%0.08421%0.207CC..EExtended strand (participates in β ladder)cis-76.4134.42.431.3-35.1000112.4P300 R301 W319 L320P300-P309 HydrophobicContact CB-CB 4.21Å; P300-P309 HydrophobicContact CB-CG 3.8Å; R301-P309 WeakPolarHBondContact O-CB 3.39Å; R301-P309 WeakPolarHBondContact O-CD 3.29Å; P309-W319 HydrophobicContact CB-CB 4.3Å; P309-W319 HydrophobicContact CB-CD2 4.4Å; P309-W319 HydrophobicContact CB-CE3 3.71Å; P309-W319 HydrophobicContact CB-CZ3 4.42Å; P309-W319 HydrophobicContact CG-CE3 4.17Å; P309-W319 HydrophobicContact CG-CZ3 4.42Å; P309-L320 CarbonylContact C-O 3.5Å; P309-L320 WeakPolarHBondContact CA-O 3.44Å
310Y96.7Very high94.9Very high1 Ų133.5 Ų33.50%0.00418%0.18CC..EExtended strand (participates in β ladder)trans-111.8107-177.4-59.6-42.1000111.4R130 V131 V185 C186 W307 W319 L320R130-Y310 HydrophobicContact CB-CE1 4.19Å; R130-Y310 WeakPolarHBondContact O-CE1 3.31Å; R130-Y310 VanDerWaalsContact O-CZ 3.29Å; R130-Y310 PolarHBondContact O-OH 3.21Å; R130-Y310 VanDerWaalsContact O-OH 3.06Å; V131-Y310 WeakPolarHBondContact CG1-OH 3.35Å; V185-Y310 HydrophobicContact CG1-CD1 3.48Å; V185-Y310 VanDerWaalsContact CG1-CD1 3.48Å; V185-Y310 HydrophobicContact CG1-CE1 4.38Å; V185-Y310 HydrophobicContact CG1-CG 3.8Å; C186-Y310 HydrophobicContact CB-CD2 4.46Å; C186-Y310 HydrophobicContact CB-CE2 4.25Å; C186-Y310 VanDerWaalsContact SG-CD2 3.51Å; W307-Y310 HydrophobicContact CB-CE2 3.86Å; W307-Y310 WeakPolarHBondContact CB-OH 3.49Å; Y310-W319 CarbonylContact O-C 3.55Å; Y310-W319 WeakPolarHBondContact O-CA 3.33Å; Y310-L320 PolarHBondContact N-O 3.4Å; Y310-L320 PolarHBondContact O-N 2.97Å
311L97.4Very high95Very high38 Ų3830.4 Ų30.420%0.19916%0.16CC..EExtended strand (participates in β ladder)trans-69.8131.1179.6178.961000111.4P192 A313 W319P192-L311 HydrophobicContact CB-CD2 4.36Å; P192-L311 HydrophobicContact CG-CB 4.19Å; L311-A313 PolarHBondContact O-N 2.93Å; L311-A313 VanDerWaalsContact O-N 3.12Å; L311-W319 HydrophobicContact CB-CD2 3.94Å; L311-W319 HydrophobicContact CB-CE3 3.68Å; L311-W319 HydrophobicContact CB-CH2 3.87Å; L311-W319 HydrophobicContact CB-CZ2 4.07Å; L311-W319 HydrophobicContact CB-CZ3 3.67Å; L311-W319 HydrophobicContact CD1-CD2 4.13Å; L311-W319 HydrophobicContact CD1-CG 4.39Å; L311-W319 HydrophobicContact CD1-CZ2 4.23Å; L311-W319 HydrophobicContact CD2-CH2 4.3Å; L311-W319 HydrophobicContact CD2-CZ2 4.08Å; L311-W319 HydrophobicContact CG-CZ2 4.36Å
312S96.9Very high95.1Very high7 Ų727.1 Ų27.15%0.04915%0.148CC..THydrogen-bonded Turntrans57.124.6174.9-59.30000114.4P224 D317 L318P224-S312 VanDerWaalsContact CD-O 3.31Å; P224-S312 WeakPolarHBondContact CD-O 3.35Å; S312-D317 PolarHBondContact OG-N 2.96Å; S312-L318 PolarHBondContact N-O 3.38Å
313A97.3Very high95.2Very high0 Ų021 Ų210%012%0.116CC..SBendtrans-84-13.1-176.900000114.3C182 V185 L311 L320C182-A313 WeakPolarHBondContact CA-O 3.16Å; C182-A313 WeakPolarHBondContact CB-O 3.21Å; C182-A313 PolarHBondContact SG-O 3.44Å; V185-A313 HydrophobicContact CB-CB 4.47Å; L311-A313 PolarHBondContact O-N 2.93Å; L311-A313 VanDerWaalsContact O-N 3.12Å; A313-L320 HydrophobicContact CB-CD2 4.28Å
314M97.6Very high95.3Very high2 Ų220.9 Ų20.91%0.0112%0.116CC..SBendtrans-138.1-60.5174.4-177.8178.376.700110.3H256 L260 V263 M294 I296 L320H256-M314 HydrophobicContact CB-CB 4.44Å; H256-M314 HydrophobicContact CB-CG 4.15Å; H256-M314 HydrophobicContact CB-SD 4.45Å; L260-M314 HydrophobicContact CD2-CG 3.73Å; L260-M314 HydrophobicContact CG-CG 4.21Å; V263-M314 HydrophobicContact CG1-CE 4.41Å; M294-M314 HydrophobicContact SD-SD 3.7Å; I296-M314 HydrophobicContact CG2-CE 3.53Å; M314-L320 HydrophobicContact CB-CD2 4.14Å; M314-L320 HydrophobicContact CE-CD1 4.35Å
315V97.3Very high95.7Very high1 Ų116.6 Ų16.61%0.0069%0.087CC..SBendtrans-104.2123.9173.2-176.70000107.8L260 I296 L318 I498 Q499 M502L260-V315 HydrophobicContact CD2-CG2 3.82Å; I296-V315 HydrophobicContact CD1-CG2 4.17Å; V315-L318 HydrophobicContact CB-CB 4.37Å; V315-L318 HydrophobicContact CB-CD1 4.1Å; V315-L318 HydrophobicContact CG1-CD1 3.77Å; V315-L318 HydrophobicContact CG1-CG 4.28Å; V315-L318 PolarHBondContact O-N 3.37Å; V315-I498 HydrophobicContact CG1-CG2 4.2Å; V315-Q499 HydrophobicContact CG1-CG 3.8Å; V315-Q499 VanDerWaalsContact CG1-NE2 3.27Å; V315-M502 HydrophobicContact CG2-CE 4.11Å; V315-M502 HydrophobicContact CG2-SD 4.2Å
316P95.1Very high95.8Very high21 Ų2118.4 Ų18.414%0.13610%0.098CC..THydrogen-bonded Turntrans-50.5140.6175.7-26.235.3000112P223 L318 I498 Q499P223-P316 HydrophobicContact CB-CB 4.11Å; P223-P316 HydrophobicContact CB-CG 3.94Å; P316-L318 PolarHBondContact O-N 2.9Å; P316-L318 VanDerWaalsContact O-N 3.15Å; P316-I498 HydrophobicContact CG-CG2 3.97Å; P316-Q499 PolarHBondContact O-NE2 3.48Å
317D95.4Very high95.8Very high129 Ų12919 Ų1969%0.6910%0.104SC*.THydrogen-bonded Turntrans66.63.5179.1-52.2-44.9000115.8S312S312-D317 PolarHBondContact OG-N 2.96Å
318L97.6Very high95.9Very high23 Ų2317.8 Ų17.812%0.1210%0.099CC..SBendtrans-111.3150.8174.2-61-178.5000111.8I279 I296 E298 S312 V315 P316I279-L318 HydrophobicContact CD1-CD1 3.97Å; I279-L318 HydrophobicContact CG1-CD1 4.44Å; I296-L318 HydrophobicContact CB-CB 4.41Å; I296-L318 HydrophobicContact CB-CD1 4.39Å; I296-L318 HydrophobicContact CD1-CD1 3.82Å; I296-L318 HydrophobicContact CG1-CD1 4.36Å; E298-L318 HydrophobicContact CG-CD2 4.03Å; S312-L318 PolarHBondContact N-O 3.38Å; V315-L318 HydrophobicContact CB-CB 4.37Å; V315-L318 HydrophobicContact CB-CD1 4.1Å; V315-L318 HydrophobicContact CG1-CD1 3.77Å; V315-L318 HydrophobicContact CG1-CG 4.28Å; V315-L318 PolarHBondContact O-N 3.37Å; P316-L318 PolarHBondContact O-N 2.9Å; P316-L318 VanDerWaalsContact O-N 3.15Å
319W98Very high96Very high57 Ų5718.3 Ų18.322%0.21610%0.104CC..EExtended strand (participates in β ladder)trans-90127.2174.8-62.984.8000110.4I296 S297 Q299 P300 P309 Y310 L311I296-W319 CarbonylContact C-O 3.57Å; I296-W319 VanDerWaalsContact CA-O 3.23Å; I296-W319 WeakPolarHBondContact CA-O 3.39Å; S297-W319 PolarHBondContact N-O 2.82Å; S297-W319 PolarHBondContact O-N 3.11Å; Q299-W319 VanDerWaalsContact C-CD1 3.46Å; P300-W319 HydrophobicContact CB-CD2 3.77Å; P300-W319 HydrophobicContact CB-CE3 3.91Å; P300-W319 HydrophobicContact CB-CG 4.35Å; P300-W319 HydrophobicContact CB-CH2 4.07Å; P300-W319 HydrophobicContact CB-CZ2 3.98Å; P300-W319 HydrophobicContact CB-CZ3 4.04Å; P300-W319 HydrophobicContact CG-CZ2 4.1Å; P309-W319 HydrophobicContact CB-CB 4.3Å; P309-W319 HydrophobicContact CB-CD2 4.4Å; P309-W319 HydrophobicContact CB-CE3 3.71Å; P309-W319 HydrophobicContact CB-CZ3 4.42Å; P309-W319 HydrophobicContact CG-CE3 4.17Å; P309-W319 HydrophobicContact CG-CZ3 4.42Å; Y310-W319 CarbonylContact O-C 3.55Å; Y310-W319 WeakPolarHBondContact O-CA 3.33Å; L311-W319 HydrophobicContact CB-CD2 3.94Å; L311-W319 HydrophobicContact CB-CE3 3.68Å; L311-W319 HydrophobicContact CB-CH2 3.87Å; L311-W319 HydrophobicContact CB-CZ2 4.07Å; L311-W319 HydrophobicContact CB-CZ3 3.67Å; L311-W319 HydrophobicContact CD1-CD2 4.13Å; L311-W319 HydrophobicContact CD1-CG 4.39Å; L311-W319 HydrophobicContact CD1-CZ2 4.23Å; L311-W319 HydrophobicContact CD2-CH2 4.3Å; L311-W319 HydrophobicContact CD2-CZ2 4.08Å; L311-W319 HydrophobicContact CG-CZ2 4.36Å
320L98.2Very high95.9Very high2 Ų224.9 Ų24.91%0.0113%0.127CC..EExtended strand (participates in β ladder)trans-96.6133.1174.6172.268.1000110.8H256 M294 I296 P309 Y310 A313 M314H256-L320 VanDerWaalsContact CD2-CD2 3.48Å; H256-L320 WeakPolarHBondContact CD2-CD2 3.31Å; M294-L320 HydrophobicContact CB-CD1 3.81Å; M294-L320 HydrophobicContact CG-CD1 4.22Å; I296-L320 HydrophobicContact CG2-CD1 4.22Å; P309-L320 CarbonylContact C-O 3.5Å; P309-L320 WeakPolarHBondContact CA-O 3.44Å; Y310-L320 PolarHBondContact N-O 3.4Å; Y310-L320 PolarHBondContact O-N 2.97Å; A313-L320 HydrophobicContact CB-CD2 4.28Å; M314-L320 HydrophobicContact CB-CD2 4.14Å; M314-L320 HydrophobicContact CE-CD1 4.35Å
321N97.6Very high96Very high0 Ų025 Ų250%013%0.128CC..EExtended strand (participates in β ladder)trans-109.1131.3156.7-83.6-82.8000109.2A295 R301 V306 W307 M437 Y442A295-N321 PolarHBondContact N-O 3.35Å; A295-N321 PolarHBondContact O-N 3.02Å; R301-N321 PolarHBondContact O-ND2 3.05Å; R301-N321 PolarHBondContact O-OD1 3.41Å; V306-N321 HydrophobicContact CG1-CB 3.94Å; W307-N321 CarbonylContact O-C 3.54Å; W307-N321 VanDerWaalsContact O-CA 3.28Å; W307-N321 WeakPolarHBondContact O-CA 3.41Å; W307-N321 PolarHBondContact O-OD1 3.43Å; N321-M437 HydrophobicContact CB-CE 4.38Å; N321-Y442 HydrophobicContact CB-CE2 4.42Å; N321-Y442 WeakPolarHBondContact CB-OH 3.31Å; N321-Y442 PolarHBondContact ND2-OH 2.94Å
322E97Very high96Very high5 Ų523.3 Ų23.32%0.02312%0.119CC..EExtended strand (participates in β ladder)trans-117.188-173.3-166-154.5144.500109.9K187 H256 M294 W307 R391K187-E322 IonicContact NZ-OE1 2.74Å; K187-E322 IonicContact NZ-OE2 3.77Å; K187-E322 PolarHBondContact NZ-OE2 3.44Å; H256-E322 IonicContact CE1-OE2 3.27Å; H256-E322 IonicContact NE2-OE2 3Å; M294-E322 HydrophobicContact CG-CG 4.43Å; W307-E322 HydrophobicContact CB-CB 4.24Å; W307-E322 WeakPolarHBondContact CB-O 3.42Å; W307-E322 PolarHBondContact N-O 3.21Å; W307-E322 PolarHBondContact O-N 3.39Å; E322-R391 PolarHBondContact O-NH2 2.92Å; E322-R391 IonicContact OE1-CZ 3.8Å; E322-R391 IonicContact OE1-NH1 3.74Å; E322-R391 PolarHBondContact OE1-NH1 3.45Å; E322-R391 IonicContact OE1-NH2 3.09Å; E322-R391 PolarHBondContact OE1-NH2 3.38Å; E322-R391 IonicContact OE2-NH2 2.73Å
323G95.8Very high96Very high0 Ų025.4 Ų25.40%013%0.13CC..EExtended strand (participates in β ladder)trans-72.5164.2168.600000110.9H293H293-G323 PolarHBondContact N-O 3.33Å; H293-G323 PolarHBondContact O-N 2.92Å
324G94.8Very high96Very high0 Ų030.6 Ų30.60%015%0.154CC..EExtended strand (participates in β ladder)trans-164.7161170.700000115.6T291 R391 S392T291-G324 CarbonylContact O-C 3.56Å; T291-G324 WeakPolarHBondContact O-CA 3.33Å; G324-R391 WeakPolarHBondContact O-CB 3.49Å; G324-S392 PolarHBondContact N-OG 3.4Å; G324-S392 PolarHBondContact O-N 2.89Å
325Q96.3Very high96Very high10 Ų1031.1 Ų31.15%0.04716%0.157CC..EExtended strand (participates in β ladder)trans-116.6114.5169.8-67.4178.8-71.700108.3S290 T291 H293 A327 T328 L426 T430 I433S290-Q325 WeakPolarHBondContact CA-O 3.28Å; S290-Q325 VanDerWaalsContact CB-O 3.29Å; S290-Q325 WeakPolarHBondContact CB-O 3.42Å; T291-Q325 PolarHBondContact N-O 2.98Å; T291-Q325 PolarHBondContact O-N 2.69Å; H293-Q325 PolarHBondContact CE1-OE1 3.11Å; Q325-A327 PolarHBondContact O-N 3.45Å; Q325-T328 HydrophobicContact CB-CG2 3.48Å; Q325-T328 VanDerWaalsContact CB-CG2 3.48Å; Q325-T328 HydrophobicContact CG-CG2 4.42Å; Q325-L426 PolarHBondContact NE2-O 3.01Å; Q325-L426 PolarHBondContact OE1-O 3.23Å; Q325-T430 PolarHBondContact OE1-OG1 3.38Å; Q325-I433 HydrophobicContact CG-CD1 4.13Å
326S89.1Confident96Very high48 Ų4831.1 Ų31.134%0.33616%0.156SC..SBendtrans-62.7-27-171-500000114.1S290 R391S290-S326 WeakPolarHBondContact CB-O 3.49Å; S326-R391 WeakPolarHBondContact OG-CB 3.45Å
327A92Very high96.2Very high15 Ų1535.2 Ų35.212%0.12417%0.172CC..  trans-140.2113.2176.300000109.9Q325 R330 L331 H388Q325-A327 PolarHBondContact O-N 3.45Å; A327-R330 HydrophobicContact CB-CB 4.45Å; A327-L331 HydrophobicContact CB-CB 4.16Å; A327-H388 HydrophobicContact CB-CB 4.36Å
328T96.1Very high96.2Very high0 Ų032.1 Ų32.10%017%0.17CC..SBendtrans-120.5-77.8175.556.60000110G288 T289 S290 T291 Q325 R330 L331 V332 L426G288-T328 PolarHBondContact O-OG1 3.1Å; T289-T328 PolarHBondContact O-N 2.79Å; S290-T328 WeakPolarHBondContact CA-OG1 3.44Å; S290-T328 PolarHBondContact O-OG1 2.93Å; T291-T328 PolarHBondContact N-OG1 3.06Å; T291-T328 WeakPolarHBondContact OG1-CB 3.43Å; T291-T328 VanDerWaalsContact OG1-CG2 3.24Å; T291-T328 WeakPolarHBondContact OG1-CG2 3.36Å; T291-T328 PolarHBondContact OG1-OG1 3.28Å; Q325-T328 HydrophobicContact CB-CG2 3.48Å; Q325-T328 VanDerWaalsContact CB-CG2 3.48Å; Q325-T328 HydrophobicContact CG-CG2 4.42Å; T328-R330 PolarHBondContact O-N 2.69Å; T328-L331 WeakPolarHBondContact O-CB 3.38Å; T328-L331 PolarHBondContact O-N 3.42Å; T328-V332 WeakPolarHBondContact O-CG2 3.43Å; T328-V332 PolarHBondContact O-N 3.14Å; T328-L426 HydrophobicContact CG2-CD2 3.89Å
329G94.9Very high96.2Very high13 Ų1332.6 Ų32.613%0.13417%0.172CC..Hα-helixtrans-57.6-39.5172.100000111.7G288 T289 L331 V332 D333G288-G329 WeakPolarHBondContact O-CA 3.39Å; G288-G329 PolarHBondContact O-N 3.28Å; T289-G329 PolarHBondContact O-N 3.31Å; G329-L331 VanDerWaalsContact C-N 3.32Å; G329-L331 PolarHBondContact O-N 3.2Å; G329-V332 PolarHBondContact O-N 2.57Å; G329-D333 WeakPolarHBondContact O-CB 3.47Å; G329-D333 PolarHBondContact O-N 2.8Å
330R93.6Very high96.2Very high150 Ų15032.9 Ų32.957%0.56619%0.187SC*.Hα-helixtrans-64.7-35176.4-165.1177.2-161170.63.9112.9T289 A327 T328 H334T289-R330 PolarHBondContact O-N 3.3Å; T289-R330 VanDerWaalsContact O-N 3.1Å; A327-R330 HydrophobicContact CB-CB 4.45Å; T328-R330 PolarHBondContact O-N 2.69Å; R330-H334 VanDerWaalsContact O-CB 3.24Å; R330-H334 WeakPolarHBondContact O-CB 3.44Å; R330-H334 PolarHBondContact O-N 3.27Å
331L97.4Very high96.1Very high3 Ų333 Ų332%0.01619%0.188CC..Hα-helixtrans-69.9-44.4176.3176.663.2000110.8A327 T328 G329 D333 H334 I335 P385 F387 T422 L426A327-L331 HydrophobicContact CB-CB 4.16Å; T328-L331 WeakPolarHBondContact O-CB 3.38Å; T328-L331 PolarHBondContact O-N 3.42Å; G329-L331 VanDerWaalsContact C-N 3.32Å; G329-L331 PolarHBondContact O-N 3.2Å; L331-D333 VanDerWaalsContact C-N 3.35Å; L331-D333 PolarHBondContact O-N 2.86Å; L331-H334 PolarHBondContact O-N 3.35Å; L331-I335 HydrophobicContact CD1-CG1 4.04Å; L331-I335 HydrophobicContact CG-CG1 4.41Å; L331-I335 WeakPolarHBondContact O-CB 3.48Å; L331-I335 WeakPolarHBondContact O-CG1 3.3Å; L331-I335 PolarHBondContact O-N 2.91Å; L331-P385 HydrophobicContact CD2-CB 3.71Å; L331-P385 WeakPolarHBondContact CD2-O 3.23Å; L331-F387 HydrophobicContact CD1-CB 3.96Å; L331-F387 HydrophobicContact CD1-CD1 4.08Å; L331-F387 HydrophobicContact CD1-CD2 3.53Å; L331-F387 HydrophobicContact CD1-CE2 4.02Å; L331-F387 HydrophobicContact CD1-CG 3.59Å; L331-F387 HydrophobicContact CD1-CZ 4.49Å; L331-T422 HydrophobicContact CD2-CG2 3.89Å; L331-T422 HydrophobicContact CG-CG2 3.83Å; L331-L426 HydrophobicContact CD2-CD2 3.95Å; L331-L426 HydrophobicContact CD2-CG 4.39Å
332V98Very high96.1Very high3 Ų335.6 Ų35.62%0.01820%0.198CC..Hα-helixtrans-57.1-50.3175.4170.60000110.4T328 G329 H334 I335 V336 Y357 Y419 T422 L423 L426T328-V332 WeakPolarHBondContact O-CG2 3.43Å; T328-V332 PolarHBondContact O-N 3.14Å; G329-V332 PolarHBondContact O-N 2.57Å; V332-H334 PolarHBondContact O-N 2.95Å; V332-I335 PolarHBondContact O-N 2.99Å; V332-V336 WeakPolarHBondContact O-CB 3.37Å; V332-V336 WeakPolarHBondContact O-CG2 3.47Å; V332-V336 PolarHBondContact O-N 2.97Å; V332-Y357 HydrophobicContact CG1-CD1 4.11Å; V332-Y357 HydrophobicContact CG1-CE1 3.65Å; V332-Y419 HydrophobicContact CG1-CD2 3.92Å; V332-Y419 HydrophobicContact CG1-CE2 3.68Å; V332-T422 HydrophobicContact CG2-CG2 4.32Å; V332-L423 HydrophobicContact CG2-CD2 3.65Å; V332-L426 HydrophobicContact CG2-CD1 3.89Å
333D96.9Very high96.1Very high51 Ų5138.4 Ų38.427%0.27322%0.222SC..Hα-helixtrans-56.4-47.1174.6-88.439.9000112.1G329 L331 V336 K337 Y357G329-D333 WeakPolarHBondContact O-CB 3.47Å; G329-D333 PolarHBondContact O-N 2.8Å; L331-D333 VanDerWaalsContact C-N 3.35Å; L331-D333 PolarHBondContact O-N 2.86Å; D333-V336 PolarHBondContact O-N 2.92Å; D333-K337 HydrophobicContact CB-CD 4.41Å; D333-K337 WeakPolarHBondContact O-CB 3.2Å; D333-K337 VanDerWaalsContact O-CG 3.3Å; D333-K337 WeakPolarHBondContact O-CG 3.16Å; D333-K337 PolarHBondContact O-N 3.24Å; D333-K337 IonicContact OD2-NZ 3.1Å; D333-K337 PolarHBondContact OD2-NZ 3.12Å; D333-Y357 PolarHBondContact OD1-OH 2.9Å
334H97.1Very high96.2Very high109 Ų10942.7 Ų42.751%0.50524%0.242SC..Hα-helixtrans-60.8-45.7-179.5174.571.7000112R330 L331 V332 G338R330-H334 VanDerWaalsContact O-CB 3.24Å; R330-H334 WeakPolarHBondContact O-CB 3.44Å; R330-H334 PolarHBondContact O-N 3.27Å; L331-H334 PolarHBondContact O-N 3.35Å; V332-H334 PolarHBondContact O-N 2.95Å; H334-G338 WeakPolarHBondContact O-CA 3.38Å; H334-G338 PolarHBondContact O-N 3.43Å
335I97.9Very high96.3Very high14 Ų1442.7 Ų42.77%0.07224%0.242CC..Hα-helixtrans-65.1-45.4178.6-70.9-66.5000111L331 V332 H339 F387 L418 T422L331-I335 HydrophobicContact CD1-CG1 4.04Å; L331-I335 HydrophobicContact CG-CG1 4.41Å; L331-I335 WeakPolarHBondContact O-CB 3.48Å; L331-I335 WeakPolarHBondContact O-CG1 3.3Å; L331-I335 PolarHBondContact O-N 2.91Å; V332-I335 PolarHBondContact O-N 2.99Å; I335-H339 PolarHBondContact O-N 2.61Å; I335-F387 HydrophobicContact CD1-CE1 4.21Å; I335-F387 HydrophobicContact CD1-CZ 4.02Å; I335-L418 HydrophobicContact CG2-CD2 3.78Å; I335-L418 HydrophobicContact CG2-CG 3.61Å; I335-T422 HydrophobicContact CG1-CG2 4.13Å
336V98.1Very high96.3Very high0 Ų044.8 Ų44.80%025%0.252CS..Hα-helixtrans-69.6-51.3-177.1171.60000111.2V332 D333 G338 H339 Y342 L345 V356 Y357 L360 Y419V332-V336 WeakPolarHBondContact O-CB 3.37Å; V332-V336 WeakPolarHBondContact O-CG2 3.47Å; V332-V336 PolarHBondContact O-N 2.97Å; D333-V336 PolarHBondContact O-N 2.92Å; V336-G338 VanDerWaalsContact C-N 3.31Å; V336-G338 PolarHBondContact O-N 3.26Å; V336-H339 PolarHBondContact O-N 3.41Å; V336-Y342 HydrophobicContact CG1-CD2 3.97Å; V336-Y342 HydrophobicContact CG1-CE2 4.03Å; V336-Y342 VanDerWaalsContact O-CD2 3.32Å; V336-Y342 WeakPolarHBondContact O-CD2 3.16Å; V336-L345 HydrophobicContact CG1-CD2 4.07Å; V336-V356 HydrophobicContact CG1-CG1 3.9Å; V336-Y357 HydrophobicContact CB-CE1 4.39Å; V336-Y357 HydrophobicContact CG1-CE1 4.48Å; V336-Y357 HydrophobicContact CG2-CE1 4.1Å; V336-L360 HydrophobicContact CG1-CD1 3.97Å; V336-L360 HydrophobicContact CG2-CD1 3.83Å; V336-Y419 HydrophobicContact CG2-CD2 3.8Å; V336-Y419 HydrophobicContact CG2-CG 4.24Å
337K97.6Very high96.5Very high108 Ų10848.4 Ų48.447%0.4726%0.264SS..Hα-helixtrans-72.7-24.5-177.2-64.1170.5178.5168.60112.9D333 Y342D333-K337 HydrophobicContact CB-CD 4.41Å; D333-K337 WeakPolarHBondContact O-CB 3.2Å; D333-K337 VanDerWaalsContact O-CG 3.3Å; D333-K337 WeakPolarHBondContact O-CG 3.16Å; D333-K337 PolarHBondContact O-N 3.24Å; D333-K337 IonicContact OD2-NZ 3.1Å; D333-K337 PolarHBondContact OD2-NZ 3.12Å; K337-Y342 HydrophobicContact CB-CE2 4.41Å; K337-Y342 HydrophobicContact CG-CD2 4.4Å; K337-Y342 HydrophobicContact CG-CE1 4.34Å; K337-Y342 HydrophobicContact CG-CE2 3.82Å
338G96.7Very high96.6Very high63 Ų6349.7 Ų49.765%0.64927%0.267SS*.Hα-helixtrans-83.4-10.3178.900000114.6H334 V336H334-G338 WeakPolarHBondContact O-CA 3.38Å; H334-G338 PolarHBondContact O-N 3.43Å; V336-G338 VanDerWaalsContact C-N 3.31Å; V336-G338 PolarHBondContact O-N 3.26Å
339H97.8Very high96.5Very high33 Ų3349.9 Ų49.915%0.15327%0.268CS..SBendtrans-79.6144-178.7-167-89.3000112I335 V336 A341 Y342 L415I335-H339 PolarHBondContact O-N 2.61Å; V336-H339 PolarHBondContact O-N 3.41Å; H339-A341 VanDerWaalsContact C-N 3.26Å; H339-A341 WeakPolarHBondContact ND1-CB 3.42Å; H339-A341 PolarHBondContact ND1-N 2.92Å; H339-A341 VanDerWaalsContact ND1-N 3.11Å; H339-A341 PolarHBondContact O-N 3.17Å; H339-Y342 WeakPolarHBondContact O-CB 3.13Å; H339-Y342 PolarHBondContact O-N 3.37Å; H339-L415 HydrophobicContact CB-CD1 3.38Å; H339-L415 HydrophobicContact CB-CD2 4.15Å; H339-L415 HydrophobicContact CB-CG 4.22Å
340A96.8Very high96.4Very high64 Ų6454.5 Ų54.553%0.52929%0.29SS..THydrogen-bonded Turntrans-59.9-34.1-17800000113.5Y342 Q410A340-Y342 PolarHBondContact O-N 3.23Å; A340-Q410 HydrophobicContact CB-CB 4.35Å
341A97.4Very high96.2Very high4 Ų454.9 Ų54.93%0.03330%0.298CS..THydrogen-bonded Turntrans-73.31.1175.400000114.5H339 A343 E344 L345 V412 L415H339-A341 VanDerWaalsContact C-N 3.26Å; H339-A341 WeakPolarHBondContact ND1-CB 3.42Å; H339-A341 PolarHBondContact ND1-N 2.92Å; H339-A341 VanDerWaalsContact ND1-N 3.11Å; H339-A341 PolarHBondContact O-N 3.17Å; A341-A343 VanDerWaalsContact C-N 3.31Å; A341-A343 PolarHBondContact O-N 3.03Å; A341-E344 PolarHBondContact O-N 3.19Å; A341-L345 WeakPolarHBondContact O-CB 3.27Å; A341-L345 PolarHBondContact O-N 2.88Å; A341-V412 HydrophobicContact CB-CG2 4.34Å; A341-L415 HydrophobicContact CB-CB 4.43Å; A341-L415 HydrophobicContact CB-CD2 4.32Å
342Y97.7Very high95.8Very high55 Ų5562 Ų6222%0.21632%0.324CS..Hα-helixtrans-62.3-36.7-177-177.8-107.6000112.8V336 K337 H339 A340 L345 Q346V336-Y342 HydrophobicContact CG1-CD2 3.97Å; V336-Y342 HydrophobicContact CG1-CE2 4.03Å; V336-Y342 VanDerWaalsContact O-CD2 3.32Å; V336-Y342 WeakPolarHBondContact O-CD2 3.16Å; K337-Y342 HydrophobicContact CB-CE2 4.41Å; K337-Y342 HydrophobicContact CG-CD2 4.4Å; K337-Y342 HydrophobicContact CG-CE1 4.34Å; K337-Y342 HydrophobicContact CG-CE2 3.82Å; H339-Y342 WeakPolarHBondContact O-CB 3.13Å; H339-Y342 PolarHBondContact O-N 3.37Å; A340-Y342 PolarHBondContact O-N 3.23Å; Y342-L345 HydrophobicContact CD2-CD2 4.28Å; Y342-L345 PolarHBondContact O-N 2.82Å; Y342-Q346 WeakPolarHBondContact O-CB 3.47Å; Y342-Q346 PolarHBondContact O-N 3.37Å; Y342-Q346 PolarHBondContact OH-OE1 3.41Å
343A96.8Very high95.2Very high64 Ų6465.1 Ų65.153%0.52936%0.358SS..Hα-helixtrans-62.9-45.9176.600000111.7A341 Q346 E347A341-A343 VanDerWaalsContact C-N 3.31Å; A341-A343 PolarHBondContact O-N 3.03Å; A343-Q346 PolarHBondContact O-N 2.98Å; A343-E347 PolarHBondContact O-N 3.08Å; A343-E347 VanDerWaalsContact O-N 3.1Å
344E96.7Very high94.6Very high89 Ų8964.7 Ų64.742%0.41636%0.361SS..Hα-helixtrans-62.8-43.9175.7-171.2-169.2156.300111.5A341 Q346 E347 Q348 V412A341-E344 PolarHBondContact O-N 3.19Å; E344-Q346 VanDerWaalsContact C-N 3.3Å; E344-Q346 PolarHBondContact O-N 3.1Å; E344-E347 PolarHBondContact O-N 2.84Å; E344-Q348 WeakPolarHBondContact O-CG 3.46Å; E344-Q348 PolarHBondContact O-N 2.59Å; E344-Q348 PolarHBondContact OE1-NE2 2.95Å; E344-V412 HydrophobicContact CB-CG2 4.29Å; E344-V412 HydrophobicContact CG-CG2 4.09Å
345L96.8Very high94.4Very high0 Ų063.5 Ų63.50%036%0.359CS..Hα-helixtrans-57-44.8174174.164.1000111.1V336 A341 Y342 E347 Q348 V349 V356 Y359 L360 V412 L415V336-L345 HydrophobicContact CG1-CD2 4.07Å; A341-L345 WeakPolarHBondContact O-CB 3.27Å; A341-L345 PolarHBondContact O-N 2.88Å; Y342-L345 HydrophobicContact CD2-CD2 4.28Å; Y342-L345 PolarHBondContact O-N 2.82Å; L345-E347 VanDerWaalsContact C-N 3.33Å; L345-E347 PolarHBondContact O-N 3.2Å; L345-Q348 PolarHBondContact O-N 3.28Å; L345-V349 HydrophobicContact CD1-CG2 3.85Å; L345-V349 HydrophobicContact CG-CG2 4.15Å; L345-V349 WeakPolarHBondContact O-CB 3.34Å; L345-V349 WeakPolarHBondContact O-CG2 3.42Å; L345-V349 PolarHBondContact O-N 3Å; L345-V356 HydrophobicContact CD2-CG1 3.87Å; L345-Y359 HydrophobicContact CD1-CD1 3.4Å; L345-Y359 VanDerWaalsContact CD1-CD1 3.4Å; L345-Y359 HydrophobicContact CD1-CE1 3.67Å; L345-Y359 HydrophobicContact CD1-CG 4.34Å; L345-L360 HydrophobicContact CD1-CD2 3.98Å; L345-L360 HydrophobicContact CD1-CG 4.33Å; L345-L360 HydrophobicContact CD2-CD1 4.12Å; L345-L360 HydrophobicContact CD2-CD2 3.93Å; L345-L360 HydrophobicContact CD2-CG 4.11Å; L345-V412 HydrophobicContact CB-CG2 4.45Å; L345-V412 HydrophobicContact CD1-CG1 4.24Å; L345-L415 HydrophobicContact CB-CD2 4.27Å; L345-L415 HydrophobicContact CD2-CD2 3.64Å
346Q96.1Very high94.3Very high55 Ų5563.7 Ų63.726%0.25736%0.36SS..Hα-helixtrans-63.1-39.7-179.2-16866.670.500111.7Y342 A343 E344 V349 N350Y342-Q346 WeakPolarHBondContact O-CB 3.47Å; Y342-Q346 PolarHBondContact O-N 3.37Å; Y342-Q346 PolarHBondContact OH-OE1 3.41Å; A343-Q346 PolarHBondContact O-N 2.98Å; E344-Q346 VanDerWaalsContact C-N 3.3Å; E344-Q346 PolarHBondContact O-N 3.1Å; Q346-V349 PolarHBondContact O-N 3.13Å; Q346-N350 PolarHBondContact NE2-OD1 3.45Å; Q346-N350 VanDerWaalsContact NE2-OD1 3.08Å; Q346-N350 VanDerWaalsContact O-CB 3.32Å; Q346-N350 WeakPolarHBondContact O-CB 3.44Å; Q346-N350 PolarHBondContact O-N 3.39Å; Q346-N350 PolarHBondContact O-ND2 3.36Å; Q346-N350 PolarHBondContact O-OD1 3.36Å
347E94.6Very high94.2Very high124 Ų12465.8 Ų65.858%0.57937%0.369SS*.Hα-helixtrans-61.6-47.3173.8-70.4178.4-17500111.6A343 E344 L345 V349 N350 Q351A343-E347 PolarHBondContact O-N 3.08Å; A343-E347 VanDerWaalsContact O-N 3.1Å; E344-E347 PolarHBondContact O-N 2.84Å; L345-E347 VanDerWaalsContact C-N 3.33Å; L345-E347 PolarHBondContact O-N 3.2Å; E347-V349 PolarHBondContact O-N 3.24Å; E347-N350 PolarHBondContact O-N 2.99Å; E347-Q351 VanDerWaalsContact O-CG 3.29Å; E347-Q351 WeakPolarHBondContact O-CG 3.43Å; E347-Q351 PolarHBondContact O-N 2.88Å; E347-Q351 VanDerWaalsContact O-N 3.07Å
348Q93.8Very high94.1Very high42 Ų4263.7 Ų63.720%0.19637%0.367CS..Hα-helixtrans-63-40.7178.3-67.1175.915.100112.3E344 L345 R352 Y359E344-Q348 WeakPolarHBondContact O-CG 3.46Å; E344-Q348 PolarHBondContact O-N 2.59Å; E344-Q348 PolarHBondContact OE1-NE2 2.95Å; L345-Q348 PolarHBondContact O-N 3.28Å; Q348-R352 PolarHBondContact O-N 3.11Å; Q348-Y359 HydrophobicContact CB-CE1 4.5Å; Q348-Y359 HydrophobicContact CB-CE2 4.21Å; Q348-Y359 PolarHBondContact OE1-OH 2.85Å
349V93.8Very high94.1Very high3 Ų361.2 Ų61.22%0.01834%0.338CS..Hα-helixtrans-64.6-46.6177.2169.60000110.8L345 Q346 E347 Q351 R352 G353 A354 V356 Y359L345-V349 HydrophobicContact CD1-CG2 3.85Å; L345-V349 HydrophobicContact CG-CG2 4.15Å; L345-V349 WeakPolarHBondContact O-CB 3.34Å; L345-V349 WeakPolarHBondContact O-CG2 3.42Å; L345-V349 PolarHBondContact O-N 3Å; Q346-V349 PolarHBondContact O-N 3.13Å; E347-V349 PolarHBondContact O-N 3.24Å; V349-Q351 VanDerWaalsContact C-N 3.32Å; V349-Q351 PolarHBondContact O-N 2.81Å; V349-R352 PolarHBondContact O-N 2.81Å; V349-R352 VanDerWaalsContact O-N 3.12Å; V349-G353 PolarHBondContact O-N 3.08Å; V349-A354 WeakPolarHBondContact CG1-O 3.47Å; V349-A354 PolarHBondContact O-N 2.99Å; V349-V356 HydrophobicContact CG1-CG2 4.16Å; V349-V356 HydrophobicContact CG2-CG2 4.37Å; V349-Y359 HydrophobicContact CG2-CD1 4.19Å; V349-Y359 HydrophobicContact CG2-CD2 4.2Å; V349-Y359 HydrophobicContact CG2-CG 3.79Å
350N92.4Very high94.1Very high110 Ų11059.6 Ų59.659%0.58833%0.331SS*.Hα-helixtrans-61.9-39.3179.6-70.9-11000111.9Q346 E347 R352 G353Q346-N350 PolarHBondContact NE2-OD1 3.45Å; Q346-N350 VanDerWaalsContact NE2-OD1 3.08Å; Q346-N350 VanDerWaalsContact O-CB 3.32Å; Q346-N350 WeakPolarHBondContact O-CB 3.44Å; Q346-N350 PolarHBondContact O-N 3.39Å; Q346-N350 PolarHBondContact O-ND2 3.36Å; Q346-N350 PolarHBondContact O-OD1 3.36Å; E347-N350 PolarHBondContact O-N 2.99Å; N350-R352 VanDerWaalsContact C-N 3.25Å; N350-R352 PolarHBondContact O-N 3.29Å; N350-G353 PolarHBondContact O-N 2.51Å
351Q89.9Confident94.1Very high159 Ų15958.1 Ų58.174%0.74331%0.314SS*.Hα-helixtrans-63.5-30.1176.6-72.4170.817.400113.1E347 V349E347-Q351 VanDerWaalsContact O-CG 3.29Å; E347-Q351 WeakPolarHBondContact O-CG 3.43Å; E347-Q351 PolarHBondContact O-N 2.88Å; E347-Q351 VanDerWaalsContact O-N 3.07Å; V349-Q351 VanDerWaalsContact C-N 3.32Å; V349-Q351 PolarHBondContact O-N 2.81Å
352R88.7Confident94Very high151 Ų15160.9 Ų60.957%0.5733%0.333SS*.Hα-helixtrans-96.6-7.7-179-63.3-167.4-170.9179.23.6114Q348 V349 N350 A354Q348-R352 PolarHBondContact O-N 3.11Å; V349-R352 PolarHBondContact O-N 2.81Å; V349-R352 VanDerWaalsContact O-N 3.12Å; N350-R352 VanDerWaalsContact C-N 3.25Å; N350-R352 PolarHBondContact O-N 3.29Å; R352-A354 HydrophobicContact CB-CB 4.4Å; R352-A354 PolarHBondContact O-N 3.27Å
353G86.8Confident93.9Very high70 Ų7059.5 Ų59.572%0.72233%0.329SS*.THydrogen-bonded Turntrans60.631.4-174.700000113.2V349 N350V349-G353 PolarHBondContact O-N 3.08Å; N350-G353 PolarHBondContact O-N 2.51Å
354A84.2Confident94Very high42 Ų4256.5 Ų56.535%0.34730%0.304SS..  trans-96.7165-177.500000112V349 R352V349-A354 WeakPolarHBondContact CG1-O 3.47Å; V349-A354 PolarHBondContact O-N 2.99Å; R352-A354 HydrophobicContact CB-CB 4.4Å; R352-A354 PolarHBondContact O-N 3.27Å
355D92.9Very high94Very high84 Ų8454.5 Ų54.545%0.44930%0.303SS..  trans-78.4146.3161.1161.671000110.2Y357 S358 Y359D355-Y357 VanDerWaalsContact C-N 3.34Å; D355-Y357 PolarHBondContact O-N 3.34Å; D355-Y357 PolarHBondContact OD2-N 3.4Å; D355-Y357 VanDerWaalsContact OD2-N 3.09Å; D355-S358 PolarHBondContact O-N 2.9Å; D355-S358 PolarHBondContact OD2-N 3.31Å; D355-S358 PolarHBondContact OD2-OG 3.35Å; D355-S358 VanDerWaalsContact OD2-OG 3.13Å; D355-Y359 PolarHBondContact O-N 2.96Å
356V95.3Very high93.9Very high17 Ų1760.5 Ų60.510%0.10333%0.331CS..Hα-helixtrans-56.1-46.4-175.41720000111.6V336 L345 V349 Y359 L360V336-V356 HydrophobicContact CG1-CG1 3.9Å; L345-V356 HydrophobicContact CD2-CG1 3.87Å; V349-V356 HydrophobicContact CG1-CG2 4.16Å; V349-V356 HydrophobicContact CG2-CG2 4.37Å; V356-Y359 WeakPolarHBondContact O-CB 3.41Å; V356-Y359 PolarHBondContact O-N 3.09Å; V356-L360 HydrophobicContact CG1-CD1 4.29Å; V356-L360 WeakPolarHBondContact O-CG 3.26Å; V356-L360 PolarHBondContact O-N 3.41Å
357Y95.8Very high93.9Very high45 Ų4560.1 Ų60.118%0.17633%0.33CS..Hα-helixtrans-74.8-36.6-177.2-55.1-64.1000111.8V332 D333 V336 D355 Y359 L360 N361 Y419V332-Y357 HydrophobicContact CG1-CD1 4.11Å; V332-Y357 HydrophobicContact CG1-CE1 3.65Å; D333-Y357 PolarHBondContact OD1-OH 2.9Å; V336-Y357 HydrophobicContact CB-CE1 4.39Å; V336-Y357 HydrophobicContact CG1-CE1 4.48Å; V336-Y357 HydrophobicContact CG2-CE1 4.1Å; D355-Y357 VanDerWaalsContact C-N 3.34Å; D355-Y357 PolarHBondContact O-N 3.34Å; D355-Y357 PolarHBondContact OD2-N 3.4Å; D355-Y357 VanDerWaalsContact OD2-N 3.09Å; Y357-Y359 VanDerWaalsContact C-N 3.28Å; Y357-Y359 PolarHBondContact O-N 2.9Å; Y357-L360 PolarHBondContact O-N 2.75Å; Y357-N361 WeakPolarHBondContact O-CB 3.34Å; Y357-N361 PolarHBondContact O-N 3.33Å; Y357-N361 PolarHBondContact O-OD1 2.64Å; Y357-Y419 AromaticContact CD1-CE2 3.95Å; Y357-Y419 HydrophobicContact CD1-CE2 3.95Å
358S95Very high93.9Very high63 Ų6355.1 Ų55.144%0.44131%0.309SS..Hα-helixtrans-60.8-38.9172.5-57.10000111.9D355 S362D355-S358 PolarHBondContact O-N 2.9Å; D355-S358 PolarHBondContact OD2-N 3.31Å; D355-S358 PolarHBondContact OD2-OG 3.35Å; D355-S358 VanDerWaalsContact OD2-OG 3.13Å; S358-S362 WeakPolarHBondContact O-CB 3.48Å; S358-S362 PolarHBondContact O-N 3.46Å; S358-S362 VanDerWaalsContact O-N 3.11Å; S358-S362 PolarHBondContact O-OG 2.78Å
359Y96.5Very high93.6Very high11 Ų1156.5 Ų56.54%0.04334%0.335CS..Hα-helixtrans-64.3-52.2173-176.9-84.8000111.6L345 Q348 V349 D355 V356 Y357 N361 S362 H363 V412L345-Y359 HydrophobicContact CD1-CD1 3.4Å; L345-Y359 VanDerWaalsContact CD1-CD1 3.4Å; L345-Y359 HydrophobicContact CD1-CE1 3.67Å; L345-Y359 HydrophobicContact CD1-CG 4.34Å; Q348-Y359 HydrophobicContact CB-CE1 4.5Å; Q348-Y359 HydrophobicContact CB-CE2 4.21Å; Q348-Y359 PolarHBondContact OE1-OH 2.85Å; V349-Y359 HydrophobicContact CG2-CD1 4.19Å; V349-Y359 HydrophobicContact CG2-CD2 4.2Å; V349-Y359 HydrophobicContact CG2-CG 3.79Å; D355-Y359 PolarHBondContact O-N 2.96Å; V356-Y359 WeakPolarHBondContact O-CB 3.41Å; V356-Y359 PolarHBondContact O-N 3.09Å; Y357-Y359 VanDerWaalsContact C-N 3.28Å; Y357-Y359 PolarHBondContact O-N 2.9Å; Y359-N361 VanDerWaalsContact C-N 3.29Å; Y359-N361 PolarHBondContact O-N 2.86Å; Y359-S362 PolarHBondContact O-N 3Å; Y359-S362 VanDerWaalsContact O-N 3.09Å; Y359-H363 HydrophobicContact CE1-CB 4.32Å; Y359-H363 WeakPolarHBondContact O-CB 3.45Å; Y359-H363 PolarHBondContact O-N 2.74Å; Y359-V412 HydrophobicContact CE1-CG1 4.37Å
360L97.8Very high93.1Very high0 Ų058.2 Ų58.20%035%0.347CS..Hα-helixtrans-57.8-41.1179.4-73.5173.2000112.1V336 L345 V356 Y357 H363 L364 L415 A416 Y419V336-L360 HydrophobicContact CG1-CD1 3.97Å; V336-L360 HydrophobicContact CG2-CD1 3.83Å; L345-L360 HydrophobicContact CD1-CD2 3.98Å; L345-L360 HydrophobicContact CD1-CG 4.33Å; L345-L360 HydrophobicContact CD2-CD1 4.12Å; L345-L360 HydrophobicContact CD2-CD2 3.93Å; L345-L360 HydrophobicContact CD2-CG 4.11Å; V356-L360 HydrophobicContact CG1-CD1 4.29Å; V356-L360 WeakPolarHBondContact O-CG 3.26Å; V356-L360 PolarHBondContact O-N 3.41Å; Y357-L360 PolarHBondContact O-N 2.75Å; L360-H363 PolarHBondContact O-N 3.43Å; L360-L364 WeakPolarHBondContact O-CB 3.28Å; L360-L364 WeakPolarHBondContact O-CG 3.26Å; L360-L364 PolarHBondContact O-N 2.73Å; L360-L415 HydrophobicContact CD2-CG 4.49Å; L360-A416 HydrophobicContact CD2-CB 4.15Å; L360-Y419 HydrophobicContact CB-CD1 3.9Å; L360-Y419 HydrophobicContact CB-CE1 3.83Å; L360-Y419 HydrophobicContact CD1-CD1 4.1Å; L360-Y419 HydrophobicContact CD1-CD2 4.34Å; L360-Y419 HydrophobicContact CD1-CE1 4.46Å; L360-Y419 HydrophobicContact CD1-CG 4.02Å
361N97Very high92.5Very high33 Ų3358.1 Ų58.118%0.17635%0.352CS..Hα-helixtrans-62.1-44.3175.6-70.1-5.1000112Y357 Y359 H363 L364 A365 Y419 N456 L458Y357-N361 WeakPolarHBondContact O-CB 3.34Å; Y357-N361 PolarHBondContact O-N 3.33Å; Y357-N361 PolarHBondContact O-OD1 2.64Å; Y359-N361 VanDerWaalsContact C-N 3.29Å; Y359-N361 PolarHBondContact O-N 2.86Å; N361-H363 VanDerWaalsContact C-N 3.34Å; N361-L364 PolarHBondContact O-N 3.49Å; N361-A365 PolarHBondContact O-N 3.24Å; N361-A365 VanDerWaalsContact O-N 3.08Å; N361-Y419 VanDerWaalsContact OD1-CE1 3.3Å; N361-Y419 WeakPolarHBondContact OD1-CE1 3.31Å; N361-Y419 PolarHBondContact OD1-OH 2.94Å; N361-N456 PolarHBondContact ND2-OD1 2.91Å; N361-L458 HydrophobicContact CB-CD2 4.49Å; N361-L458 WeakPolarHBondContact OD1-CD2 3.4Å
362S95.4Very high92Very high61 Ų6152.3 Ų52.343%0.42733%0.328SS..Hα-helixtrans-66.6-38.5177.7-57.90000111.6S358 Y359 A365 Q366S358-S362 WeakPolarHBondContact O-CB 3.48Å; S358-S362 PolarHBondContact O-N 3.46Å; S358-S362 VanDerWaalsContact O-N 3.11Å; S358-S362 PolarHBondContact O-OG 2.78Å; Y359-S362 PolarHBondContact O-N 3Å; Y359-S362 VanDerWaalsContact O-N 3.09Å; S362-A365 PolarHBondContact O-N 3.41Å; S362-Q366 WeakPolarHBondContact O-CG 3.07Å; S362-Q366 PolarHBondContact O-N 3.2Å
363H96.7Very high92.2Very high27 Ų2748.3 Ų48.313%0.12532%0.318CS..Hα-helixtrans-64-46.1176.8-168.165.4000111.5Y359 L360 N361 A365 Q366 M367 D413Y359-H363 HydrophobicContact CE1-CB 4.32Å; Y359-H363 WeakPolarHBondContact O-CB 3.45Å; Y359-H363 PolarHBondContact O-N 2.74Å; L360-H363 PolarHBondContact O-N 3.43Å; N361-H363 VanDerWaalsContact C-N 3.34Å; H363-A365 VanDerWaalsContact C-N 3.31Å; H363-A365 PolarHBondContact O-N 3.11Å; H363-Q366 WeakPolarHBondContact O-CB 3.28Å; H363-Q366 PolarHBondContact O-N 3.36Å; H363-Q366 VanDerWaalsContact O-N 3.12Å; H363-M367 VanDerWaalsContact CD2-SD 3.51Å; H363-M367 VanDerWaalsContact O-CG 3.32Å; H363-M367 WeakPolarHBondContact O-CG 3.46Å; H363-M367 PolarHBondContact O-N 2.95Å; H363-D413 IonicContact CD2-OD1 3.96Å; H363-D413 IonicContact CE1-OD1 2.93Å; H363-D413 PolarHBondContact CE1-OD1 3.27Å; H363-D413 IonicContact NE2-OD1 2.64Å; H363-D413 PolarHBondContact NE2-OD1 2.77Å
364L98.1Very high92.6Very high0 Ų045.4 Ų45.40%029%0.286CS..Hα-helixtrans-57.9-42.5173.1-76.4169.4000112.4L360 N361 Q366 M367 A368 V374 L377 A416 Y419 L420 L458L360-L364 WeakPolarHBondContact O-CB 3.28Å; L360-L364 WeakPolarHBondContact O-CG 3.26Å; L360-L364 PolarHBondContact O-N 2.73Å; N361-L364 PolarHBondContact O-N 3.49Å; L364-Q366 VanDerWaalsContact C-N 3.32Å; L364-Q366 PolarHBondContact O-N 3.23Å; L364-M367 HydrophobicContact CD2-SD 4.38Å; L364-M367 PolarHBondContact O-N 3.39Å; L364-A368 WeakPolarHBondContact O-CB 3.38Å; L364-A368 PolarHBondContact O-N 2.88Å; L364-V374 HydrophobicContact CB-CG1 4.06Å; L364-L377 HydrophobicContact CD2-CD1 3.82Å; L364-A416 HydrophobicContact CD2-CB 3.9Å; L364-A416 HydrophobicContact CG-CB 4.06Å; L364-Y419 HydrophobicContact CD1-CD1 3.86Å; L364-Y419 HydrophobicContact CD1-CE1 3.96Å; L364-L420 HydrophobicContact CD1-CB 3.91Å; L364-L420 HydrophobicContact CD1-CD1 4.44Å; L364-L420 HydrophobicContact CD2-CB 4.15Å; L364-L420 HydrophobicContact CD2-CD2 4.24Å; L364-L458 HydrophobicContact CD1-CD2 3.68Å
365A96.4Very high93.3Very high48 Ų4843.6 Ų43.640%0.39727%0.271SS..Hα-helixtrans-62.6-38.317600000112.3N361 S362 H363 A368 G369 V374N361-A365 PolarHBondContact O-N 3.24Å; N361-A365 VanDerWaalsContact O-N 3.08Å; S362-A365 PolarHBondContact O-N 3.41Å; H363-A365 VanDerWaalsContact C-N 3.31Å; H363-A365 PolarHBondContact O-N 3.11Å; A365-A368 PolarHBondContact O-N 3.23Å; A365-G369 PolarHBondContact O-N 2.91Å; A365-V374 HydrophobicContact CB-CG2 4.45Å
366Q95.6Very high93.5Very high126 Ų12642.9 Ų42.959%0.58927%0.267SS*.Hα-helixtrans-66.8-42.3174.9-71.11742.100112.1S362 H363 L364 A368S362-Q366 WeakPolarHBondContact O-CG 3.07Å; S362-Q366 PolarHBondContact O-N 3.2Å; H363-Q366 WeakPolarHBondContact O-CB 3.28Å; H363-Q366 PolarHBondContact O-N 3.36Å; H363-Q366 VanDerWaalsContact O-N 3.12Å; L364-Q366 VanDerWaalsContact C-N 3.32Å; L364-Q366 PolarHBondContact O-N 3.23Å; Q366-A368 VanDerWaalsContact C-N 3.29Å; Q366-A368 PolarHBondContact O-N 3.38Å
367M96.3Very high93.6Very high47 Ų4743.6 Ų43.623%0.23227%0.27CS..Hα-helixtrans-63-35.8177-68169.37100112.4H363 L364 L377 D413 A416 R417H363-M367 VanDerWaalsContact CD2-SD 3.51Å; H363-M367 VanDerWaalsContact O-CG 3.32Å; H363-M367 WeakPolarHBondContact O-CG 3.46Å; H363-M367 PolarHBondContact O-N 2.95Å; L364-M367 HydrophobicContact CD2-SD 4.38Å; L364-M367 PolarHBondContact O-N 3.39Å; M367-L377 HydrophobicContact CB-CD1 3.81Å; M367-L377 HydrophobicContact CB-CD2 4.49Å; M367-D413 HydrophobicContact CE-CB 3.74Å; M367-D413 HydrophobicContact SD-CB 4.32Å; M367-A416 HydrophobicContact SD-CB 4.21Å; M367-R417 HydrophobicContact CE-CG 4.1Å
368A94.5Very high93.6Very high18 Ų1841.5 Ų41.515%0.14926%0.262CS..Hα-helixtrans-82.6-31.4-176.900000113.8L364 A365 Q366 S370 D373 V374 L377L364-A368 WeakPolarHBondContact O-CB 3.38Å; L364-A368 PolarHBondContact O-N 2.88Å; A365-A368 PolarHBondContact O-N 3.23Å; Q366-A368 VanDerWaalsContact C-N 3.29Å; Q366-A368 PolarHBondContact O-N 3.38Å; A368-S370 PolarHBondContact O-N 3.26Å; A368-D373 HydrophobicContact CB-CB 3.87Å; A368-V374 HydrophobicContact CB-CB 4.26Å; A368-V374 HydrophobicContact CB-CG2 3.61Å; A368-L377 HydrophobicContact CB-CD1 4.03Å; A368-L377 HydrophobicContact CB-CG 4.38Å
369G86.9Confident93.7Very high71 Ų7141.4 Ų41.473%0.73226%0.261SS*.SBendtrans76.2-25-175.800000114.8A365A365-G369 PolarHBondContact O-N 2.91Å
370S82.8Confident93.6Very high39 Ų3945 Ų4527%0.27329%0.288SS..SBendtrans-139156171.989.90000112.1A368 D373A368-S370 PolarHBondContact O-N 3.26Å; S370-D373 WeakPolarHBondContact CB-OD2 3.33Å; S370-D373 PolarHBondContact O-N 3.28Å; S370-D373 PolarHBondContact OG-OD2 3.46Å
371P80.6Confident93.7Very high109 Ų10945.5 Ų45.571%0.70829%0.291SS*.Hα-helixtrans-60.9-45.6-178.8-21.831.7000115.2D373 V374P371-D373 PolarHBondContact O-N 3.47Å; P371-V374 WeakPolarHBondContact O-CB 3.14Å; P371-V374 PolarHBondContact O-N 3.27Å
372P79.3Confident93.7Very high36 Ų3645.4 Ų45.423%0.23429%0.289CS..Hα-helixtrans-61.5-30.8176.5-24.535.5000113.7V374P372-V374 PolarHBondContact O-N 3.05Å
373D91.8Very high93.9Very high67 Ų6742.7 Ų42.736%0.35827%0.27SS..Hα-helixtrans-72.6-17.1-178.1-66.4-32.7000112.6A368 S370 P371 D375 L376 L377A368-D373 HydrophobicContact CB-CB 3.87Å; S370-D373 WeakPolarHBondContact CB-OD2 3.33Å; S370-D373 PolarHBondContact O-N 3.28Å; S370-D373 PolarHBondContact OG-OD2 3.46Å; P371-D373 PolarHBondContact O-N 3.47Å; D373-D375 PolarHBondContact O-N 2.85Å; D373-L376 WeakPolarHBondContact O-CB 3.25Å; D373-L376 PolarHBondContact O-N 2.98Å; D373-L376 VanDerWaalsContact O-N 3.15Å; D373-L377 PolarHBondContact O-N 3.35Å
374V96.9Very high94Very high9 Ų941.4 Ų41.46%0.05526%0.264CS..Hα-helixtrans-57-50.7175.91730000110.3L364 A365 A368 P371 P372 L376 L377 L420 L458L364-V374 HydrophobicContact CB-CG1 4.06Å; A365-V374 HydrophobicContact CB-CG2 4.45Å; A368-V374 HydrophobicContact CB-CB 4.26Å; A368-V374 HydrophobicContact CB-CG2 3.61Å; P371-V374 WeakPolarHBondContact O-CB 3.14Å; P371-V374 PolarHBondContact O-N 3.27Å; P372-V374 PolarHBondContact O-N 3.05Å; V374-L376 PolarHBondContact O-N 2.94Å; V374-L377 VanDerWaalsContact O-CB 3.3Å; V374-L377 WeakPolarHBondContact O-CB 3.28Å; V374-L377 PolarHBondContact O-N 3.2Å; V374-L377 VanDerWaalsContact O-N 3.11Å; V374-L420 HydrophobicContact CG1-CD1 4.29Å; V374-L420 WeakPolarHBondContact O-CD2 3.44Å; V374-L458 HydrophobicContact CG1-CD1 3.88Å; V374-L458 HydrophobicContact CG1-CD2 4.46Å
375D97.1Very high94Very high5 Ų541.7 Ų41.73%0.02727%0.265CS..Hα-helixtrans-59.4-34.5179.7-67.1-123.1000112D373 L377 G378 Q424 L518 F521 Y522D373-D375 PolarHBondContact O-N 2.85Å; D375-L377 VanDerWaalsContact C-N 3.26Å; D375-L377 PolarHBondContact O-N 3.06Å; D375-G378 PolarHBondContact O-N 3.33Å; D375-G378 VanDerWaalsContact O-N 3.12Å; D375-Q424 PolarHBondContact O-NE2 3.36Å; D375-L518 HydrophobicContact CB-CD1 3.63Å; D375-L518 HydrophobicContact CB-CD2 4.08Å; D375-F521 HydrophobicContact CB-CE1 4.2Å; D375-F521 WeakPolarHBondContact O-CZ 3.46Å; D375-Y522 VanDerWaalsContact OD1-CE2 3.25Å; D375-Y522 WeakPolarHBondContact OD1-CE2 3.45Å; D375-Y522 VanDerWaalsContact OD1-CZ 3.25Å; D375-Y522 PolarHBondContact OD1-OH 3.38Å
376L97.6Very high93.9Very high68 Ų6839.9 Ų39.936%0.35625%0.249SC..Hα-helixtrans-69.2-21.1-179.5-57.3-177000113D373 V374 G378 S379 L518 F521D373-L376 WeakPolarHBondContact O-CB 3.25Å; D373-L376 PolarHBondContact O-N 2.98Å; D373-L376 VanDerWaalsContact O-N 3.15Å; V374-L376 PolarHBondContact O-N 2.94Å; L376-G378 PolarHBondContact O-N 2.7Å; L376-G378 VanDerWaalsContact O-N 3.15Å; L376-S379 VanDerWaalsContact O-CB 3.24Å; L376-S379 WeakPolarHBondContact O-CB 3.48Å; L376-S379 PolarHBondContact O-N 3.18Å; L376-S379 PolarHBondContact O-OG 3.2Å; L376-L518 HydrophobicContact CD2-CD2 3.87Å; L376-L518 HydrophobicContact CG-CD2 4.3Å; L376-F521 HydrophobicContact CD2-CB 4.34Å; L376-F521 HydrophobicContact CD2-CD2 3.76Å; L376-F521 HydrophobicContact CD2-CE2 4.16Å; L376-F521 HydrophobicContact CD2-CG 3.96Å
377L97.6Very high93.9Very high33 Ų3336.9 Ų36.917%0.17323%0.234CC..THydrogen-bonded Turntrans-60.1-22.8171.5-62.8174.8000112.3L364 M367 A368 D373 V374 D375 S379 L420L364-L377 HydrophobicContact CD2-CD1 3.82Å; M367-L377 HydrophobicContact CB-CD1 3.81Å; M367-L377 HydrophobicContact CB-CD2 4.49Å; A368-L377 HydrophobicContact CB-CD1 4.03Å; A368-L377 HydrophobicContact CB-CG 4.38Å; D373-L377 PolarHBondContact O-N 3.35Å; V374-L377 VanDerWaalsContact O-CB 3.3Å; V374-L377 WeakPolarHBondContact O-CB 3.28Å; V374-L377 PolarHBondContact O-N 3.2Å; V374-L377 VanDerWaalsContact O-N 3.11Å; D375-L377 VanDerWaalsContact C-N 3.26Å; D375-L377 PolarHBondContact O-N 3.06Å; L377-S379 VanDerWaalsContact C-N 3.29Å; L377-S379 PolarHBondContact O-N 2.95Å; L377-L420 HydrophobicContact CB-CD2 3.77Å
378G96.4Very high93.6Very high0 Ų039.5 Ų39.50%025%0.246CC..THydrogen-bonded Turntrans-85.214.7174.900000114.8D375 L376 I381 K525D375-G378 PolarHBondContact O-N 3.33Å; D375-G378 VanDerWaalsContact O-N 3.12Å; L376-G378 PolarHBondContact O-N 2.7Å; L376-G378 VanDerWaalsContact O-N 3.15Å; G378-I381 VanDerWaalsContact O-O 3.09Å; G378-K525 PolarHBondContact O-NZ 3.43Å
379S96.7Very high93.4Very high62 Ų6238.8 Ų38.843%0.43424%0.24SC..SBendtrans-69-35-174.7-67.40000114.4L376 L377 H382 F521L376-S379 VanDerWaalsContact O-CB 3.24Å; L376-S379 WeakPolarHBondContact O-CB 3.48Å; L376-S379 PolarHBondContact O-N 3.18Å; L376-S379 PolarHBondContact O-OG 3.2Å; L377-S379 VanDerWaalsContact C-N 3.29Å; L377-S379 PolarHBondContact O-N 2.95Å; S379-H382 PolarHBondContact O-NE2 3.08Å; S379-F521 WeakPolarHBondContact OG-CE2 3.32Å
380S95.3Very high93.7Very high87 Ų8736 Ų3661%0.60821%0.208SC*.SBendtrans-101.4-1.3-175.355.50000114G405S380-G405 WeakPolarHBondContact O-CA 3.45Å
381I98.2Very high94.1Very high10 Ų1036 Ų365%0.05120%0.202CC..  trans-126.6131.9-177.4-176.2160.8000110.6G378 V403 I404 L418 A421 K525G378-I381 VanDerWaalsContact O-O 3.09Å; I381-V403 HydrophobicContact CD1-CG1 4.42Å; I381-V403 HydrophobicContact CG1-CG1 4.42Å; I381-I404 WeakPolarHBondContact CA-O 3.33Å; I381-L418 HydrophobicContact CD1-CB 4.17Å; I381-L418 HydrophobicContact CD1-CD1 3.87Å; I381-A421 HydrophobicContact CB-CB 4.35Å; I381-A421 HydrophobicContact CG1-CB 3.95Å; I381-A421 HydrophobicContact CG2-CB 3.72Å; I381-K525 PolarHBondContact O-NZ 2.88Å
382H98.6Very high94.8Very high30 Ų3030.9 Ų30.914%0.13917%0.169CC..EExtended strand (participates in β ladder)trans-135.3142-177.6-48.1-89.9000110.6S379 V403 I404 V528 L532S379-H382 PolarHBondContact O-NE2 3.08Å; H382-V403 WeakPolarHBondContact O-CA 3.41Å; H382-I404 HydrophobicContact CB-CD1 4.03Å; H382-I404 HydrophobicContact CB-CG1 3.68Å; H382-I404 PolarHBondContact N-O 2.89Å; H382-I404 PolarHBondContact O-N 2.88Å; H382-V528 HydrophobicContact CB-CG1 4.11Å; H382-L532 HydrophobicContact CB-CD1 4.07Å
383V98.7Very high95.5Very high4 Ų429.8 Ų29.82%0.02416%0.162CC..EExtended strand (participates in β ladder)trans-124.5134.1-178.3179.80000108.8F387 M402 V403 L418 A421 A425V383-F387 HydrophobicContact CG1-CE2 4.13Å; V383-M402 CarbonylContact C-O 3.35Å; V383-M402 VanDerWaalsContact CA-O 3.31Å; V383-M402 WeakPolarHBondContact CA-O 3.33Å; V383-V403 HydrophobicContact CG2-CG1 4.27Å; V383-V403 HydrophobicContact CG2-CG2 4.28Å; V383-L418 HydrophobicContact CG2-CD1 4.17Å; V383-A421 HydrophobicContact CG2-CB 3.93Å; V383-A425 HydrophobicContact CB-CB 3.73Å; V383-A425 HydrophobicContact CG1-CB 4.14Å; V383-A425 WeakPolarHBondContact O-CB 3.46Å
384W98.2Very high95.5Very high1 Ų128.9 Ų28.90%0.00416%0.157CC..EExtended strand (participates in β ladder)trans-93.6118.5158.5-177.4-96.8000107.9D386 F387 L394 L399 K400 G401 M402 F529 L532 F533W384-D386 WeakPolarHBondContact CZ2-OD2 3.14Å; W384-D386 PolarHBondContact NE1-OD2 3.34Å; W384-D386 PolarHBondContact O-N 3.4Å; W384-F387 WeakPolarHBondContact O-CE2 3.49Å; W384-L394 HydrophobicContact CH2-CD1 4.02Å; W384-L394 HydrophobicContact CZ2-CD1 3.81Å; W384-L399 HydrophobicContact CZ2-CD1 4.32Å; W384-K400 VanDerWaalsContact CD1-O 3.27Å; W384-G401 WeakPolarHBondContact O-CA 3.5Å; W384-M402 HydrophobicContact CB-CB 3.99Å; W384-M402 HydrophobicContact CB-CE 4.05Å; W384-M402 HydrophobicContact CB-CG 4.4Å; W384-M402 HydrophobicContact CG-CE 4.38Å; W384-M402 PolarHBondContact N-O 3.44Å; W384-M402 PolarHBondContact O-N 3.39Å; W384-F529 HydrophobicContact CE3-CD1 4.38Å; W384-F529 HydrophobicContact CE3-CD2 4.08Å; W384-F529 HydrophobicContact CE3-CE1 4.16Å; W384-F529 AromaticContact CE3-CE2 3.87Å; W384-F529 HydrophobicContact CE3-CE2 3.87Å; W384-F529 HydrophobicContact CE3-CG 4.32Å; W384-F529 AromaticContact CE3-CZ 3.89Å; W384-F529 HydrophobicContact CE3-CZ 3.89Å; W384-F529 AromaticContact CH2-CE1 3.88Å; W384-F529 HydrophobicContact CH2-CE1 3.88Å; W384-F529 AromaticContact CH2-CZ 3.94Å; W384-F529 HydrophobicContact CH2-CZ 3.94Å; W384-F529 AromaticContact CZ3-CD1 3.69Å; W384-F529 HydrophobicContact CZ3-CD1 3.69Å; W384-F529 HydrophobicContact CZ3-CD2 4.17Å; W384-F529 AromaticContact CZ3-CE1 3.32Å; W384-F529 HydrophobicContact CZ3-CE1 3.32Å; W384-F529 AromaticContact CZ3-CE2 3.87Å; W384-F529 HydrophobicContact CZ3-CE2 3.87Å; W384-F529 HydrophobicContact CZ3-CG 4.09Å; W384-F529 AromaticContact CZ3-CZ 3.41Å; W384-F529 HydrophobicContact CZ3-CZ 3.41Å; W384-F529 VanDerWaalsContact CZ3-CZ 3.41Å; W384-F529 VanDerWaalsContact CZ3-O 3.3Å; W384-F529 WeakPolarHBondContact CZ3-O 3.4Å; W384-L532 HydrophobicContact CB-CB 4.44Å; W384-L532 HydrophobicContact CB-CD1 4.36Å; W384-L532 HydrophobicContact CE3-CB 4.29Å; W384-F533 HydrophobicContact CE3-CB 4.17Å; W384-F533 HydrophobicContact CH2-CB 3.55Å; W384-F533 HydrophobicContact CH2-CD2 4.13Å; W384-F533 AromaticContact CH2-CG 3.98Å; W384-F533 HydrophobicContact CH2-CG 3.98Å; W384-F533 HydrophobicContact CZ2-CB 3.99Å; W384-F533 AromaticContact CZ2-CD2 3.85Å; W384-F533 HydrophobicContact CZ2-CD2 3.85Å; W384-F533 HydrophobicContact CZ2-CG 4.18Å; W384-F533 HydrophobicContact CZ3-CB 3.62Å
385P97.8Very high95.1Very high5 Ų529.8 Ų29.83%0.03217%0.166CC..  trans-86.7-5.2-161.133.9-36.8000114.7L331 F387 A425 L426 F529L331-P385 HydrophobicContact CD2-CB 3.71Å; L331-P385 WeakPolarHBondContact CD2-O 3.23Å; P385-F387 PolarHBondContact O-N 2.84Å; P385-A425 HydrophobicContact CB-CB 4.22Å; P385-A425 HydrophobicContact CG-CB 4.35Å; P385-L426 HydrophobicContact CB-CD2 4.01Å; P385-F529 HydrophobicContact CG-CE2 4.02Å; P385-F529 HydrophobicContact CG-CZ 4.41Å
386D95.6Very high94.7Very high11 Ų1131 Ų316%0.05917%0.172CC..  trans-7957.2-173.7-60.6-36.7000113W384 H388 G389 N390 L399 K400 G401W384-D386 WeakPolarHBondContact CZ2-OD2 3.14Å; W384-D386 PolarHBondContact NE1-OD2 3.34Å; W384-D386 PolarHBondContact O-N 3.4Å; D386-H388 PolarHBondContact O-N 3.21Å; D386-G389 PolarHBondContact O-N 3.31Å; D386-N390 HydrophobicContact CB-CB 4.3Å; D386-N390 VanDerWaalsContact CG-ND2 3.32Å; D386-N390 PolarHBondContact OD1-ND2 2.99Å; D386-N390 VanDerWaalsContact OD2-CB 3.28Å; D386-N390 WeakPolarHBondContact OD2-CB 3.48Å; D386-N390 PolarHBondContact OD2-ND2 3.42Å; D386-L399 HydrophobicContact CB-CB 4.03Å; D386-L399 CarbonylContact O-C 3.55Å; D386-L399 VanDerWaalsContact O-O 3.14Å; D386-K400 CarbonylContact O-C 3.53Å; D386-K400 WeakPolarHBondContact O-CA 3.36Å; D386-K400 PolarHBondContact O-N 3.15Å; D386-G401 PolarHBondContact O-N 3.29Å
387F94.6Very high94Very high63 Ų6331.7 Ų31.728%0.27618%0.18SC..THydrogen-bonded Turntrans-64.3-20.9175.5-78.9-120.5000112.3L331 I335 V383 W384 P385 V403L331-F387 HydrophobicContact CD1-CB 3.96Å; L331-F387 HydrophobicContact CD1-CD1 4.08Å; L331-F387 HydrophobicContact CD1-CD2 3.53Å; L331-F387 HydrophobicContact CD1-CE2 4.02Å; L331-F387 HydrophobicContact CD1-CG 3.59Å; L331-F387 HydrophobicContact CD1-CZ 4.49Å; I335-F387 HydrophobicContact CD1-CE1 4.21Å; I335-F387 HydrophobicContact CD1-CZ 4.02Å; V383-F387 HydrophobicContact CG1-CE2 4.13Å; W384-F387 WeakPolarHBondContact O-CE2 3.49Å; P385-F387 PolarHBondContact O-N 2.84Å; F387-V403 HydrophobicContact CZ-CG2 4.15Å
388H90.1Very high93.4Very high101 Ų10134 Ų3447%0.46820%0.196SC..THydrogen-bonded Turntrans-12338.7178.4-159.371.8000111.5H111 A327 D386H111-H388 AromaticContact CE1-NE2 3.82Å; A327-H388 HydrophobicContact CB-CB 4.36Å; D386-H388 PolarHBondContact O-N 3.21Å
389G90.6Very high93.2Very high3 Ų334 Ų343%0.03120%0.196CC..  trans72.7168.6-174.300000113D386 L399D386-G389 PolarHBondContact O-N 3.31Å; G389-L399 WeakPolarHBondContact CA-O 3.26Å; G389-L399 PolarHBondContact N-O 3.41Å
390N92.8Very high93Very high12 Ų1236.7 Ų36.76%0.06420%0.2CC..BIsolated β-bridgetrans-103.4121.2175.3-171-95.5000110.2D386 S392 L394 A395 D396 L399D386-N390 HydrophobicContact CB-CB 4.3Å; D386-N390 VanDerWaalsContact CG-ND2 3.32Å; D386-N390 PolarHBondContact OD1-ND2 2.99Å; D386-N390 VanDerWaalsContact OD2-CB 3.28Å; D386-N390 WeakPolarHBondContact OD2-CB 3.48Å; D386-N390 PolarHBondContact OD2-ND2 3.42Å; N390-S392 PolarHBondContact ND2-O 3.17Å; N390-S392 VanDerWaalsContact ND2-O 3.16Å; N390-S392 WeakPolarHBondContact OD1-CA 3.47Å; N390-S392 PolarHBondContact OD1-N 3.48Å; N390-S392 PolarHBondContact OD1-O 3.32Å; N390-S392 VanDerWaalsContact OD1-O 3.09Å; N390-L394 HydrophobicContact CB-CB 4.14Å; N390-L394 HydrophobicContact CB-CD1 4.41Å; N390-L394 WeakPolarHBondContact OD1-CA 3.43Å; N390-L394 VanDerWaalsContact OD1-CB 3.25Å; N390-L394 WeakPolarHBondContact OD1-CB 3.36Å; N390-L394 PolarHBondContact OD1-N 3.36Å; N390-A395 CarbonylContact O-C 3.19Å; N390-A395 WeakPolarHBondContact O-CA 3.42Å; N390-D396 PolarHBondContact N-O 3.45Å; N390-D396 CarbonylContact O-C 3.59Å; N390-D396 PolarHBondContact O-N 2.98Å; N390-L399 HydrophobicContact CB-CD1 3.51Å
391R91.5Very high93.1Very high40 Ų4033.8 Ų33.815%0.15118%0.183CC..  trans-77.6-56.5168.8171.3174.7166.9-170.3-10.3110.8G305 E322 G324 S326 A395G305-R391 VanDerWaalsContact O-O 3.07Å; E322-R391 PolarHBondContact O-NH2 2.92Å; E322-R391 IonicContact OE1-CZ 3.8Å; E322-R391 IonicContact OE1-NH1 3.74Å; E322-R391 PolarHBondContact OE1-NH1 3.45Å; E322-R391 IonicContact OE1-NH2 3.09Å; E322-R391 PolarHBondContact OE1-NH2 3.38Å; E322-R391 IonicContact OE2-NH2 2.73Å; G324-R391 WeakPolarHBondContact O-CB 3.49Å; S326-R391 WeakPolarHBondContact OG-CB 3.45Å; R391-A395 VanDerWaalsContact O-CA 3.29Å; R391-A395 WeakPolarHBondContact O-CA 3.21Å; R391-A395 PolarHBondContact O-N 3.48Å
392S94.6Very high93Very high2 Ų235 Ų351%0.01419%0.189CC..THydrogen-bonded Turntrans-135146.9-179.4-60.20000112.7G305 G324 N390G305-S392 WeakPolarHBondContact O-CA 3.49Å; G305-S392 WeakPolarHBondContact O-CB 3.44Å; G305-S392 PolarHBondContact O-OG 2.93Å; G324-S392 PolarHBondContact N-OG 3.4Å; G324-S392 PolarHBondContact O-N 2.89Å; N390-S392 PolarHBondContact ND2-O 3.17Å; N390-S392 VanDerWaalsContact ND2-O 3.16Å; N390-S392 WeakPolarHBondContact OD1-CA 3.47Å; N390-S392 PolarHBondContact OD1-N 3.48Å; N390-S392 PolarHBondContact OD1-O 3.32Å; N390-S392 VanDerWaalsContact OD1-O 3.09Å
393P94.4Very high93Very high12 Ų1235.4 Ų35.48%0.07819%0.194CC..THydrogen-bonded Turncis-90.55.5-2.437.7-36.6000113.8G305 H432 S436G305-P393 WeakPolarHBondContact CA-O 3.37Å; P393-H432 WeakPolarHBondContact CD-ND1 3.32Å; P393-H432 VanDerWaalsContact CG-CE1 3.49Å; P393-H432 WeakPolarHBondContact CG-CE1 3.19Å; P393-S436 VanDerWaalsContact CB-OG 3.22Å; P393-S436 WeakPolarHBondContact CB-OG 3.4Å; P393-S436 VanDerWaalsContact CG-OG 3.28Å; P393-S436 WeakPolarHBondContact CG-OG 3.33Å
394L92.7Very high92.9Very high49 Ų4938.7 Ų38.726%0.25721%0.211SC..THydrogen-bonded Turntrans-86.5-21.8-171.1-57.5171000113.4W384 N390 D396 L399 F533W384-L394 HydrophobicContact CH2-CD1 4.02Å; W384-L394 HydrophobicContact CZ2-CD1 3.81Å; N390-L394 HydrophobicContact CB-CB 4.14Å; N390-L394 HydrophobicContact CB-CD1 4.41Å; N390-L394 WeakPolarHBondContact OD1-CA 3.43Å; N390-L394 VanDerWaalsContact OD1-CB 3.25Å; N390-L394 WeakPolarHBondContact OD1-CB 3.36Å; N390-L394 PolarHBondContact OD1-N 3.36Å; L394-D396 VanDerWaalsContact C-N 3.26Å; L394-D396 PolarHBondContact O-N 2.95Å; L394-L399 HydrophobicContact CB-CD1 4.44Å; L394-L399 HydrophobicContact CD1-CD1 3.68Å; L394-F533 HydrophobicContact CD1-CD1 4.46Å; L394-F533 HydrophobicContact CD1-CD2 3.76Å; L394-F533 HydrophobicContact CD1-CE1 4.25Å; L394-F533 HydrophobicContact CD1-CE2 3.53Å; L394-F533 HydrophobicContact CD1-CG 4.24Å; L394-F533 HydrophobicContact CD1-CZ 3.79Å; L394-F533 HydrophobicContact CD2-CE1 3.97Å; L394-F533 HydrophobicContact CD2-CE2 4.49Å; L394-F533 HydrophobicContact CD2-CZ 3.89Å; L394-F533 HydrophobicContact CG-CZ 4.42Å
395A88.9Confident92.8Very high28 Ų2840.9 Ų40.923%0.23123%0.234CC..  trans4747.6-175.800000113.2N390 R391N390-A395 CarbonylContact O-C 3.19Å; N390-A395 WeakPolarHBondContact O-CA 3.42Å; R391-A395 VanDerWaalsContact O-CA 3.29Å; R391-A395 WeakPolarHBondContact O-CA 3.21Å; R391-A395 PolarHBondContact O-N 3.48Å
396D87.3Confident92.7Very high29 Ų2946.2 Ų46.216%0.15526%0.261CS..BIsolated β-bridgetrans-123.5100.2179.9-170.1-27.4000110.7N390 L394 T398 L399 R537N390-D396 PolarHBondContact N-O 3.45Å; N390-D396 CarbonylContact O-C 3.59Å; N390-D396 PolarHBondContact O-N 2.98Å; L394-D396 VanDerWaalsContact C-N 3.26Å; L394-D396 PolarHBondContact O-N 2.95Å; D396-T398 PolarHBondContact O-N 3.01Å; D396-T398 WeakPolarHBondContact OD1-CA 3.36Å; D396-T398 VanDerWaalsContact OD1-CB 3.26Å; D396-T398 WeakPolarHBondContact OD1-CB 3.02Å; D396-T398 PolarHBondContact OD1-N 2.94Å; D396-T398 PolarHBondContact OD1-OG1 3.45Å; D396-T398 PolarHBondContact OD2-OG1 2.88Å; D396-L399 HydrophobicContact CB-CD1 4.01Å; D396-L399 HydrophobicContact CB-CG 4.14Å; D396-L399 PolarHBondContact O-N 3.16Å; D396-R537 IonicContact OD1-NH2 3.79Å; D396-R537 IonicContact OD2-CZ 3.25Å; D396-R537 IonicContact OD2-NH1 3.86Å; D396-R537 PolarHBondContact OD2-NH1 3.31Å; D396-R537 IonicContact OD2-NH2 2.74Å; D396-R537 PolarHBondContact OD2-NH2 3.11Å
397P83.5Confident92.6Very high83 Ų8349.1 Ų49.154%0.53928%0.281SS..THydrogen-bonded Turntrans-71.2-12.5179.830.1-35.2000113.3L399P397-L399 VanDerWaalsContact C-N 3.34Å
398T84.8Confident92.6Very high81 Ų8154.6 Ų54.650%0.49731%0.312SS..THydrogen-bonded Turntrans-81.7-15.3-17875.90000112.9D396D396-T398 PolarHBondContact O-N 3.01Å; D396-T398 WeakPolarHBondContact OD1-CA 3.36Å; D396-T398 VanDerWaalsContact OD1-CB 3.26Å; D396-T398 WeakPolarHBondContact OD1-CB 3.02Å; D396-T398 PolarHBondContact OD1-N 2.94Å; D396-T398 PolarHBondContact OD1-OG1 3.45Å; D396-T398 PolarHBondContact OD2-OG1 2.88Å
399L91.6Very high92.9Very high0 Ų052.4 Ų52.40%031%0.308CS..  trans-57.2146.8177.3-79.9172.1000112.5W384 D386 G389 N390 L394 D396 P397 F533 R537W384-L399 HydrophobicContact CZ2-CD1 4.32Å; D386-L399 HydrophobicContact CB-CB 4.03Å; D386-L399 CarbonylContact O-C 3.55Å; D386-L399 VanDerWaalsContact O-O 3.14Å; G389-L399 WeakPolarHBondContact CA-O 3.26Å; G389-L399 PolarHBondContact N-O 3.41Å; N390-L399 HydrophobicContact CB-CD1 3.51Å; L394-L399 HydrophobicContact CB-CD1 4.44Å; L394-L399 HydrophobicContact CD1-CD1 3.68Å; D396-L399 HydrophobicContact CB-CD1 4.01Å; D396-L399 HydrophobicContact CB-CG 4.14Å; D396-L399 PolarHBondContact O-N 3.16Å; P397-L399 VanDerWaalsContact C-N 3.34Å; L399-F533 HydrophobicContact CD1-CD2 4.34Å; L399-F533 HydrophobicContact CD1-CE2 4.01Å; L399-F533 HydrophobicContact CD2-CD2 4.08Å; L399-F533 HydrophobicContact CD2-CE2 3.96Å; L399-R537 VanDerWaalsContact CG-NH2 3.27Å
400K93.8Very high93Very high120 Ų12058.3 Ų58.352%0.52233%0.334SS..  trans-128.2156.9178.2-58.3-62167.7-158.20111.3W384 D386 Q536W384-K400 VanDerWaalsContact CD1-O 3.27Å; D386-K400 CarbonylContact O-C 3.53Å; D386-K400 WeakPolarHBondContact O-CA 3.36Å; D386-K400 PolarHBondContact O-N 3.15Å; K400-Q536 PolarHBondContact O-NE2 2.55Å; K400-Q536 PolarHBondContact O-OE1 2.75Å
401G96.4Very high93.2Very high25 Ų2560.5 Ų60.526%0.25835%0.349SS..  trans-64.3148.7176.600000112.9W384 D386W384-G401 WeakPolarHBondContact O-CA 3.5Å; D386-G401 PolarHBondContact O-N 3.29Å
402M97.6Very high93.5Very high35 Ų3558.9 Ų58.917%0.17234%0.343CS..EExtended strand (participates in β ladder)trans-137.5142.7171.2-57.4-168.8-61.500109.8V383 W384 L532 Q536V383-M402 CarbonylContact C-O 3.35Å; V383-M402 VanDerWaalsContact CA-O 3.31Å; V383-M402 WeakPolarHBondContact CA-O 3.33Å; W384-M402 HydrophobicContact CB-CB 3.99Å; W384-M402 HydrophobicContact CB-CE 4.05Å; W384-M402 HydrophobicContact CB-CG 4.4Å; W384-M402 HydrophobicContact CG-CE 4.38Å; W384-M402 PolarHBondContact N-O 3.44Å; W384-M402 PolarHBondContact O-N 3.39Å; M402-L532 VanDerWaalsContact CE-C 3.41Å; M402-L532 HydrophobicContact CE-CB 3.56Å; M402-L532 HydrophobicContact CE-CD2 3.97Å; M402-L532 HydrophobicContact CE-CG 4.31Å; M402-L532 WeakPolarHBondContact CE-O 3.45Å; M402-Q536 HydrophobicContact CE-CB 3.95Å; M402-Q536 HydrophobicContact SD-CB 3.89Å; M402-Q536 HydrophobicContact SD-CG 4.01Å
403V97.9Very high93.7Very high40 Ų4061.6 Ų61.624%0.24236%0.358CS..EExtended strand (participates in β ladder)trans-130126.7174.1-172.60000108.2I381 H382 V383 F387 L406 L418I381-V403 HydrophobicContact CD1-CG1 4.42Å; I381-V403 HydrophobicContact CG1-CG1 4.42Å; H382-V403 WeakPolarHBondContact O-CA 3.41Å; V383-V403 HydrophobicContact CG2-CG1 4.27Å; V383-V403 HydrophobicContact CG2-CG2 4.28Å; F387-V403 HydrophobicContact CZ-CG2 4.15Å; V403-L406 HydrophobicContact CB-CD1 4.48Å; V403-L406 HydrophobicContact CB-CD2 4.48Å; V403-L406 HydrophobicContact CG1-CD1 4.43Å; V403-L406 HydrophobicContact CG1-CD2 3.63Å; V403-L406 HydrophobicContact CG1-CG 3.96Å; V403-L418 HydrophobicContact CG1-CD1 3.76Å; V403-L418 HydrophobicContact CG2-CD1 4.44Å
404I97.1Very high93.8Very high73 Ų7361.9 Ų61.937%0.37436%0.358SS..EExtended strand (participates in β ladder)trans-121.6149.7175.262.2161.3000110.2I381 H382 V528 L532I381-I404 WeakPolarHBondContact CA-O 3.33Å; H382-I404 HydrophobicContact CB-CD1 4.03Å; H382-I404 HydrophobicContact CB-CG1 3.68Å; H382-I404 PolarHBondContact N-O 2.89Å; H382-I404 PolarHBondContact O-N 2.88Å; I404-V528 HydrophobicContact CD1-CG1 4.44Å; I404-L532 HydrophobicContact CD1-CD2 3.89Å; I404-L532 HydrophobicContact CG1-CD2 4.17Å; I404-L532 HydrophobicContact CG2-CD2 4.13Å
405G95.8Very high94.1Very high47 Ų4759.5 Ų59.549%0.48535%0.346SS..  trans90.521.9-176.100000114.7S380S380-G405 WeakPolarHBondContact O-CA 3.45Å
406L95.5Very high94.5Very high116 Ų11658.2 Ų58.261%0.60734%0.335SS*.  trans-70.5127.6178.8-67.1176.1000111.6V403V403-L406 HydrophobicContact CB-CD1 4.48Å; V403-L406 HydrophobicContact CB-CD2 4.48Å; V403-L406 HydrophobicContact CG1-CD1 4.43Å; V403-L406 HydrophobicContact CG1-CD2 3.63Å; V403-L406 HydrophobicContact CG1-CG 3.96Å
407P93.1Very high95.1Very high73 Ų7360.9 Ų60.947%0.47434%0.343SS..  trans-83.1170.7169.535.4-34.2000111.5
408L95.7Very high95.8Very high178 Ų17857.8 Ų57.893%0.93232%0.322SS*.SBendtrans-74.8-17.2167.5-17064.2000112.3
409S95.3Very high96.5Very high54 Ų5454 Ų5438%0.37830%0.298SS..  trans-69.5146.9178.7-177.30000112D414S409-D414 WeakPolarHBondContact CB-OD2 3.06Å; S409-D414 PolarHBondContact OG-OD2 2.87Å
410Q93.6Very high96.8Very high127 Ų12754 Ų5459%0.59330%0.298SS*.  trans-137.151.8-179.2-63.6-171.51.200111.5A340 D414A340-Q410 HydrophobicContact CB-CB 4.35Å; Q410-D414 PolarHBondContact N-OD2 3.08Å
411T97.4Very high97Very high59 Ų5948.2 Ų48.236%0.36227%0.273SS..SBendtrans-93.1172.3-18065.20000112.1D413 D414 L415T411-D413 PolarHBondContact O-N 2.9Å; T411-D413 PolarHBondContact OG1-N 3.41Å; T411-D414 WeakPolarHBondContact CB-OD2 3.26Å; T411-D414 PolarHBondContact N-OD2 2.78Å; T411-D414 PolarHBondContact O-N 3.3Å; T411-D414 PolarHBondContact OG1-N 3.27Å; T411-D414 PolarHBondContact OG1-OD2 3.42Å; T411-L415 PolarHBondContact O-N 3.07Å; T411-L415 VanDerWaalsContact O-N 3.09Å
412V97.5Very high97.2Very high5 Ų547 Ų473%0.0326%0.261CS..Hα-helixtrans-61-30.9169.9177.20000111.8A341 E344 L345 Y359 L415 A416A341-V412 HydrophobicContact CB-CG2 4.34Å; E344-V412 HydrophobicContact CB-CG2 4.29Å; E344-V412 HydrophobicContact CG-CG2 4.09Å; L345-V412 HydrophobicContact CB-CG2 4.45Å; L345-V412 HydrophobicContact CD1-CG1 4.24Å; Y359-V412 HydrophobicContact CE1-CG1 4.37Å; V412-L415 PolarHBondContact O-N 3.1Å; V412-A416 WeakPolarHBondContact O-CB 3.13Å; V412-A416 PolarHBondContact O-N 3.27Å
413D97.6Very high97.2Very high60 Ų6045.4 Ų45.432%0.32125%0.253SS..Hα-helixtrans-64.3-41.6174-72.214.5000111.8H363 M367 T411 A416 R417H363-D413 IonicContact CD2-OD1 3.96Å; H363-D413 IonicContact CE1-OD1 2.93Å; H363-D413 PolarHBondContact CE1-OD1 3.27Å; H363-D413 IonicContact NE2-OD1 2.64Å; H363-D413 PolarHBondContact NE2-OD1 2.77Å; M367-D413 HydrophobicContact CE-CB 3.74Å; M367-D413 HydrophobicContact SD-CB 4.32Å; T411-D413 PolarHBondContact O-N 2.9Å; T411-D413 PolarHBondContact OG1-N 3.41Å; D413-A416 PolarHBondContact O-N 3.06Å; D413-R417 WeakPolarHBondContact O-CG 3.32Å; D413-R417 PolarHBondContact O-N 2.85Å
414D97.6Very high97.3Very high17 Ų1743.5 Ų43.59%0.09124%0.241CC..Hα-helixtrans-66.9-41.5178.1-58-57000110.8S409 Q410 T411 R417 L418S409-D414 WeakPolarHBondContact CB-OD2 3.06Å; S409-D414 PolarHBondContact OG-OD2 2.87Å; Q410-D414 PolarHBondContact N-OD2 3.08Å; T411-D414 WeakPolarHBondContact CB-OD2 3.26Å; T411-D414 PolarHBondContact N-OD2 2.78Å; T411-D414 PolarHBondContact O-N 3.3Å; T411-D414 PolarHBondContact OG1-N 3.27Å; T411-D414 PolarHBondContact OG1-OD2 3.42Å; D414-R417 PolarHBondContact O-N 2.97Å; D414-R417 IonicContact OD1-NH1 3.34Å; D414-L418 WeakPolarHBondContact O-CB 3.29Å; D414-L418 PolarHBondContact O-N 3.41Å
415L98.1Very high97.3Very high0 Ų040.1 Ų40.10%022%0.224CC..Hα-helixtrans-59.8-46.7173.3176.848.5000111.6H339 A341 L345 L360 T411 V412 R417 L418 Y419H339-L415 HydrophobicContact CB-CD1 3.38Å; H339-L415 HydrophobicContact CB-CD2 4.15Å; H339-L415 HydrophobicContact CB-CG 4.22Å; A341-L415 HydrophobicContact CB-CB 4.43Å; A341-L415 HydrophobicContact CB-CD2 4.32Å; L345-L415 HydrophobicContact CB-CD2 4.27Å; L345-L415 HydrophobicContact CD2-CD2 3.64Å; L360-L415 HydrophobicContact CD2-CG 4.49Å; T411-L415 PolarHBondContact O-N 3.07Å; T411-L415 VanDerWaalsContact O-N 3.09Å; V412-L415 PolarHBondContact O-N 3.1Å; L415-R417 VanDerWaalsContact C-N 3.35Å; L415-R417 PolarHBondContact O-N 3.39Å; L415-L418 PolarHBondContact O-N 2.98Å; L415-Y419 WeakPolarHBondContact O-CB 3.4Å; L415-Y419 PolarHBondContact O-N 3.41Å
416A98.3Very high97.5Very high0 Ų037.9 Ų37.90%020%0.201CC..Hα-helixtrans-60.9-42.8178.700000111.8L360 L364 M367 V412 D413 Y419 L420L360-A416 HydrophobicContact CD2-CB 4.15Å; L364-A416 HydrophobicContact CD2-CB 3.9Å; L364-A416 HydrophobicContact CG-CB 4.06Å; M367-A416 HydrophobicContact SD-CB 4.21Å; V412-A416 WeakPolarHBondContact O-CB 3.13Å; V412-A416 PolarHBondContact O-N 3.27Å; D413-A416 PolarHBondContact O-N 3.06Å; A416-Y419 PolarHBondContact O-N 2.81Å; A416-L420 WeakPolarHBondContact O-CB 3.27Å; A416-L420 PolarHBondContact O-N 2.96Å
417R98.4Very high97.6Very high85 Ų8532.4 Ų32.432%0.32117%0.172SC..Hα-helixtrans-64.2-41.9174.9-72.5177.4-174.1127.34112.6M367 D413 D414 L415 L420 A421M367-R417 HydrophobicContact CE-CG 4.1Å; D413-R417 WeakPolarHBondContact O-CG 3.32Å; D413-R417 PolarHBondContact O-N 2.85Å; D414-R417 PolarHBondContact O-N 2.97Å; D414-R417 IonicContact OD1-NH1 3.34Å; L415-R417 VanDerWaalsContact C-N 3.35Å; L415-R417 PolarHBondContact O-N 3.39Å; R417-L420 PolarHBondContact O-N 3.39Å; R417-A421 WeakPolarHBondContact O-CB 3.49Å; R417-A421 PolarHBondContact O-N 2.6Å
418L98.6Very high97.9Very high18 Ų1829.1 Ų29.19%0.09415%0.151CC..Hα-helixtrans-66.5-40.8177.2179.162.3000111.6I335 I381 V383 V403 D414 L415 A421 T422I335-L418 HydrophobicContact CG2-CD2 3.78Å; I335-L418 HydrophobicContact CG2-CG 3.61Å; I381-L418 HydrophobicContact CD1-CB 4.17Å; I381-L418 HydrophobicContact CD1-CD1 3.87Å; V383-L418 HydrophobicContact CG2-CD1 4.17Å; V403-L418 HydrophobicContact CG1-CD1 3.76Å; V403-L418 HydrophobicContact CG2-CD1 4.44Å; D414-L418 WeakPolarHBondContact O-CB 3.29Å; D414-L418 PolarHBondContact O-N 3.41Å; L415-L418 PolarHBondContact O-N 2.98Å; L418-A421 PolarHBondContact O-N 2.86Å; L418-T422 WeakPolarHBondContact O-CB 3.48Å; L418-T422 PolarHBondContact O-N 3.37Å; L418-T422 PolarHBondContact O-OG1 2.79Å
419Y98.7Very high98.1Very high1 Ų121 Ų210%0.00411%0.111CC..Hα-helixtrans-58.2-50.3171.7160.7-108.9000111.2V332 V336 Y357 L360 N361 L364 L415 A416 A421 T422 L423 N456 L458V332-Y419 HydrophobicContact CG1-CD2 3.92Å; V332-Y419 HydrophobicContact CG1-CE2 3.68Å; V336-Y419 HydrophobicContact CG2-CD2 3.8Å; V336-Y419 HydrophobicContact CG2-CG 4.24Å; Y357-Y419 AromaticContact CD1-CE2 3.95Å; Y357-Y419 HydrophobicContact CD1-CE2 3.95Å; L360-Y419 HydrophobicContact CB-CD1 3.9Å; L360-Y419 HydrophobicContact CB-CE1 3.83Å; L360-Y419 HydrophobicContact CD1-CD1 4.1Å; L360-Y419 HydrophobicContact CD1-CD2 4.34Å; L360-Y419 HydrophobicContact CD1-CE1 4.46Å; L360-Y419 HydrophobicContact CD1-CG 4.02Å; N361-Y419 VanDerWaalsContact OD1-CE1 3.3Å; N361-Y419 WeakPolarHBondContact OD1-CE1 3.31Å; N361-Y419 PolarHBondContact OD1-OH 2.94Å; L364-Y419 HydrophobicContact CD1-CD1 3.86Å; L364-Y419 HydrophobicContact CD1-CE1 3.96Å; L415-Y419 WeakPolarHBondContact O-CB 3.4Å; L415-Y419 PolarHBondContact O-N 3.41Å; A416-Y419 PolarHBondContact O-N 2.81Å; Y419-A421 PolarHBondContact O-N 3.46Å; Y419-T422 WeakPolarHBondContact O-CB 3.48Å; Y419-T422 PolarHBondContact O-N 3.08Å; Y419-T422 VanDerWaalsContact O-N 3.13Å; Y419-L423 HydrophobicContact CD2-CG 4.42Å; Y419-L423 HydrophobicContact CE1-CD1 4.03Å; Y419-L423 HydrophobicContact CE2-CD1 3.97Å; Y419-L423 HydrophobicContact CE2-CD2 3.96Å; Y419-L423 HydrophobicContact CE2-CG 4.02Å; Y419-L423 PolarHBondContact O-N 2.85Å; Y419-N456 PolarHBondContact OH-ND2 3.18Å; Y419-L458 HydrophobicContact CE1-CD2 4.32Å
420L98.8Very high98.2Very high0 Ų018.5 Ų18.50%09%0.093CC..Hα-helixtrans-57-48.6175.2174.566.5000111.9L364 V374 L377 A416 R417 T422 L423 Q424 L458 I462L364-L420 HydrophobicContact CD1-CB 3.91Å; L364-L420 HydrophobicContact CD1-CD1 4.44Å; L364-L420 HydrophobicContact CD2-CB 4.15Å; L364-L420 HydrophobicContact CD2-CD2 4.24Å; V374-L420 HydrophobicContact CG1-CD1 4.29Å; V374-L420 WeakPolarHBondContact O-CD2 3.44Å; L377-L420 HydrophobicContact CB-CD2 3.77Å; A416-L420 WeakPolarHBondContact O-CB 3.27Å; A416-L420 PolarHBondContact O-N 2.96Å; R417-L420 PolarHBondContact O-N 3.39Å; L420-T422 PolarHBondContact O-N 2.95Å; L420-L423 PolarHBondContact O-N 3.42Å; L420-L423 VanDerWaalsContact O-N 3.12Å; L420-Q424 HydrophobicContact CD1-CG 4.37Å; L420-Q424 HydrophobicContact CG-CG 4.49Å; L420-Q424 WeakPolarHBondContact O-CG 3.3Å; L420-Q424 PolarHBondContact O-N 2.88Å; L420-L458 HydrophobicContact CD1-CD2 4.39Å; L420-I462 HydrophobicContact CD1-CD1 3.58Å
421A98.8Very high98.5Very high0 Ų014.1 Ų14.10%07%0.071CC..Hα-helixtrans-60.6-32.5179.400000112.2I381 V383 R417 L418 Y419 A425I381-A421 HydrophobicContact CB-CB 4.35Å; I381-A421 HydrophobicContact CG1-CB 3.95Å; I381-A421 HydrophobicContact CG2-CB 3.72Å; V383-A421 HydrophobicContact CG2-CB 3.93Å; R417-A421 WeakPolarHBondContact O-CB 3.49Å; R417-A421 PolarHBondContact O-N 2.6Å; L418-A421 PolarHBondContact O-N 2.86Å; Y419-A421 PolarHBondContact O-N 3.46Å; A421-A425 WeakPolarHBondContact O-CB 3.32Å; A421-A425 PolarHBondContact O-N 2.89Å
422T98.9Very high98.5Very high0 Ų012.5 Ų12.50%06%0.059CC..Hα-helixtrans-68.1-46.2174.2-57.40000111.2L331 V332 I335 L418 Y419 L420 Q424 A425 L426L331-T422 HydrophobicContact CD2-CG2 3.89Å; L331-T422 HydrophobicContact CG-CG2 3.83Å; V332-T422 HydrophobicContact CG2-CG2 4.32Å; I335-T422 HydrophobicContact CG1-CG2 4.13Å; L418-T422 WeakPolarHBondContact O-CB 3.48Å; L418-T422 PolarHBondContact O-N 3.37Å; L418-T422 PolarHBondContact O-OG1 2.79Å; Y419-T422 WeakPolarHBondContact O-CB 3.48Å; Y419-T422 PolarHBondContact O-N 3.08Å; Y419-T422 VanDerWaalsContact O-N 3.13Å; L420-T422 PolarHBondContact O-N 2.95Å; T422-Q424 VanDerWaalsContact C-N 3.31Å; T422-Q424 PolarHBondContact O-N 2.83Å; T422-A425 PolarHBondContact O-N 2.96Å; T422-L426 WeakPolarHBondContact O-CG 3.42Å; T422-L426 PolarHBondContact O-N 2.68Å
423L98.8Very high98.6Very high0 Ų012.2 Ų12.20%06%0.058CC..Hα-helixtrans-59.2-43.5174.4-59.8-174.3000111.6V332 Y419 L420 L426 A427 L458 F459 I462V332-L423 HydrophobicContact CG2-CD2 3.65Å; Y419-L423 HydrophobicContact CD2-CG 4.42Å; Y419-L423 HydrophobicContact CE1-CD1 4.03Å; Y419-L423 HydrophobicContact CE2-CD1 3.97Å; Y419-L423 HydrophobicContact CE2-CD2 3.96Å; Y419-L423 HydrophobicContact CE2-CG 4.02Å; Y419-L423 PolarHBondContact O-N 2.85Å; L420-L423 PolarHBondContact O-N 3.42Å; L420-L423 VanDerWaalsContact O-N 3.12Å; L423-L426 PolarHBondContact O-N 3.1Å; L423-A427 PolarHBondContact O-N 3.49Å; L423-L458 HydrophobicContact CD1-CD2 4.09Å; L423-L458 HydrophobicContact CD1-CG 4.11Å; L423-F459 HydrophobicContact CD1-CB 4.39Å; L423-F459 HydrophobicContact CD2-CB 4.35Å; L423-F459 HydrophobicContact CD2-CD2 4.08Å; L423-I462 HydrophobicContact CB-CD1 3.8Å; L423-I462 HydrophobicContact CD1-CD1 4.06Å
424Q98.9Very high98.6Very high0 Ų010.3 Ų10.30%05%0.047CC..Hα-helixtrans-61.7-44176.2-69.3176-1800111.8D375 L420 T422 L426 A427 L428 I462 Y522 K525D375-Q424 PolarHBondContact O-NE2 3.36Å; L420-Q424 HydrophobicContact CD1-CG 4.37Å; L420-Q424 HydrophobicContact CG-CG 4.49Å; L420-Q424 WeakPolarHBondContact O-CG 3.3Å; L420-Q424 PolarHBondContact O-N 2.88Å; T422-Q424 VanDerWaalsContact C-N 3.31Å; T422-Q424 PolarHBondContact O-N 2.83Å; Q424-L426 VanDerWaalsContact C-N 3.34Å; Q424-L426 PolarHBondContact O-N 2.8Å; Q424-A427 PolarHBondContact O-N 2.94Å; Q424-L428 WeakPolarHBondContact O-CD1 3.27Å; Q424-L428 WeakPolarHBondContact O-CG 3.28Å; Q424-L428 PolarHBondContact O-N 3.33Å; Q424-I462 HydrophobicContact CG-CD1 4.34Å; Q424-I462 HydrophobicContact CG-CG2 4.12Å; Q424-Y522 HydrophobicContact CB-CE1 4.47Å; Q424-Y522 HydrophobicContact CG-CE1 4.21Å; Q424-K525 VanDerWaalsContact OE1-CE 3.23Å
425A98.8Very high98.7Very high2 Ų212.4 Ų12.42%0.0176%0.056CC..Hα-helixtrans-63.3-39.1177.300000112.5V383 P385 A421 T422 L428 G429V383-A425 HydrophobicContact CB-CB 3.73Å; V383-A425 HydrophobicContact CG1-CB 4.14Å; V383-A425 WeakPolarHBondContact O-CB 3.46Å; P385-A425 HydrophobicContact CB-CB 4.22Å; P385-A425 HydrophobicContact CG-CB 4.35Å; A421-A425 WeakPolarHBondContact O-CB 3.32Å; A421-A425 PolarHBondContact O-N 2.89Å; T422-A425 PolarHBondContact O-N 2.96Å; A425-L428 PolarHBondContact O-N 3.14Å; A425-G429 PolarHBondContact O-N 2.96Å
426L98.8Very high98.6Very high1 Ų113.2 Ų13.21%0.0056%0.062CC..Hα-helixtrans-62.5-42.3174.3-70.9176.3000111.9Q325 T328 L331 V332 P385 T422 L423 Q424 G429 T430Q325-L426 PolarHBondContact NE2-O 3.01Å; Q325-L426 PolarHBondContact OE1-O 3.23Å; T328-L426 HydrophobicContact CG2-CD2 3.89Å; L331-L426 HydrophobicContact CD2-CD2 3.95Å; L331-L426 HydrophobicContact CD2-CG 4.39Å; V332-L426 HydrophobicContact CG2-CD1 3.89Å; P385-L426 HydrophobicContact CB-CD2 4.01Å; T422-L426 WeakPolarHBondContact O-CG 3.42Å; T422-L426 PolarHBondContact O-N 2.68Å; L423-L426 PolarHBondContact O-N 3.1Å; Q424-L426 VanDerWaalsContact C-N 3.34Å; Q424-L426 PolarHBondContact O-N 2.8Å; L426-G429 PolarHBondContact O-N 2.93Å; L426-T430 PolarHBondContact O-N 3.34Å; L426-T430 PolarHBondContact O-OG1 3.12Å
427A98.8Very high98.6Very high0 Ų013.2 Ų13.20%06%0.062CC..Hα-helixtrans-68.8-34.5176.100000113L423 Q424 T430 R431 I462 Q463 A466L423-A427 PolarHBondContact O-N 3.49Å; Q424-A427 PolarHBondContact O-N 2.94Å; A427-T430 WeakPolarHBondContact O-CB 3.2Å; A427-T430 PolarHBondContact O-N 3.33Å; A427-R431 PolarHBondContact O-N 3.4Å; A427-I462 HydrophobicContact CB-CG2 3.67Å; A427-Q463 HydrophobicContact CB-CG 4.32Å; A427-A466 HydrophobicContact CB-CB 3.68Å
428L98.9Very high98.6Very high5 Ų515.7 Ų15.73%0.0268%0.075CC..Hα-helixtrans-68.4-34.6172.3-67164.6000112Q424 A425 R431 H432 Y522 K525 Y526 F529Q424-L428 WeakPolarHBondContact O-CD1 3.27Å; Q424-L428 WeakPolarHBondContact O-CG 3.28Å; Q424-L428 PolarHBondContact O-N 3.33Å; A425-L428 PolarHBondContact O-N 3.14Å; L428-R431 WeakPolarHBondContact O-CB 3.35Å; L428-R431 PolarHBondContact O-N 3.28Å; L428-H432 PolarHBondContact O-N 3.48Å; L428-Y522 HydrophobicContact CD2-CD1 4.27Å; L428-K525 HydrophobicContact CD1-CB 3.92Å; L428-K525 HydrophobicContact CD2-CB 4.43Å; L428-Y526 HydrophobicContact CB-CD2 4.42Å; L428-Y526 HydrophobicContact CD2-CD2 3.92Å; L428-Y526 HydrophobicContact CD2-CG 4.3Å; L428-F529 HydrophobicContact CB-CB 4.4Å; L428-F529 HydrophobicContact CB-CD1 4.38Å; L428-F529 HydrophobicContact CB-CD2 3.73Å; L428-F529 HydrophobicContact CB-CE2 4Å; L428-F529 HydrophobicContact CB-CG 3.93Å; L428-F529 HydrophobicContact CB-CZ 4.48Å; L428-F529 HydrophobicContact CD1-CB 4.22Å; L428-F529 HydrophobicContact CD1-CD2 4.29Å
429G98.7Very high98.5Very high8 Ų822.9 Ų22.98%0.08211%0.108CC..Hα-helixtrans-62.8-40.6168.400000112.3A425 L426 H432 I433A425-G429 PolarHBondContact O-N 2.96Å; L426-G429 PolarHBondContact O-N 2.93Å; G429-H432 WeakPolarHBondContact O-CB 3.35Å; G429-H432 PolarHBondContact O-N 3.46Å; G429-I433 WeakPolarHBondContact O-CG1 3.35Å; G429-I433 PolarHBondContact O-N 2.96Å; G429-I433 VanDerWaalsContact O-N 3.1Å
430T98.8Very high98.3Very high0 Ų024 Ų240%012%0.118CC..Hα-helixtrans-61.6-44.4171.8-66.40000111.5M285 H293 Q325 L426 A427 H432 I433 L434 Q463 T467M285-T430 HydrophobicContact CE-CG2 3.79Å; M285-T430 HydrophobicContact SD-CG2 3.82Å; H293-T430 WeakPolarHBondContact NE2-CG2 3.4Å; H293-T430 PolarHBondContact NE2-OG1 3.01Å; Q325-T430 PolarHBondContact OE1-OG1 3.38Å; L426-T430 PolarHBondContact O-N 3.34Å; L426-T430 PolarHBondContact O-OG1 3.12Å; A427-T430 WeakPolarHBondContact O-CB 3.2Å; A427-T430 PolarHBondContact O-N 3.33Å; T430-H432 VanDerWaalsContact C-N 3.28Å; T430-H432 PolarHBondContact O-N 3.21Å; T430-I433 PolarHBondContact O-N 3.43Å; T430-L434 HydrophobicContact CG2-CD1 4.11Å; T430-L434 PolarHBondContact O-N 2.99Å; T430-Q463 PolarHBondContact OG1-NE2 3.35Å; T430-Q463 PolarHBondContact OG1-OE1 3.37Å; T430-T467 HydrophobicContact CG2-CG2 3.93Å
431R98.8Very high98.2Very high35 Ų3525.8 Ų25.813%0.13214%0.136CC..Hα-helixtrans-56.9-42.5173.1-176.6-177.9-178.9161.2-7.2111.6A427 L428 I433 L434 E435 A466 T467 D523 Y526A427-R431 PolarHBondContact O-N 3.4Å; L428-R431 WeakPolarHBondContact O-CB 3.35Å; L428-R431 PolarHBondContact O-N 3.28Å; R431-I433 VanDerWaalsContact C-N 3.34Å; R431-I433 PolarHBondContact O-N 3.34Å; R431-L434 WeakPolarHBondContact O-CB 3.32Å; R431-L434 PolarHBondContact O-N 2.93Å; R431-E435 HydrophobicContact CG-CG 4.35Å; R431-E435 IonicContact NE-OE1 3.34Å; R431-E435 WeakPolarHBondContact O-CG 3.3Å; R431-E435 PolarHBondContact O-N 2.69Å; R431-A466 WeakPolarHBondContact CD-O 3.31Å; R431-A466 PolarHBondContact NH1-O 2.94Å; R431-T467 HydrophobicContact CB-CG2 4.34Å; R431-D523 IonicContact CZ-OD1 3.38Å; R431-D523 IonicContact NH1-OD1 3.93Å; R431-D523 PolarHBondContact NH1-OD1 3.44Å; R431-D523 IonicContact NH2-OD1 3.33Å; R431-D523 PolarHBondContact NH2-OD1 2.9Å; R431-Y526 HydrophobicContact CB-CE2 4.33Å; R431-Y526 HydrophobicContact CG-CD2 4.35Å; R431-Y526 HydrophobicContact CG-CE2 4.14Å
432H98.7Very high98.2Very high25 Ų2526.3 Ų26.312%0.11614%0.138CC..Hα-helixtrans-62.3-39.8178.7-168.5-160.9000112.8P393 L428 G429 T430 S436 Y526 F529P393-H432 WeakPolarHBondContact CD-ND1 3.32Å; P393-H432 VanDerWaalsContact CG-CE1 3.49Å; P393-H432 WeakPolarHBondContact CG-CE1 3.19Å; L428-H432 PolarHBondContact O-N 3.48Å; G429-H432 WeakPolarHBondContact O-CB 3.35Å; G429-H432 PolarHBondContact O-N 3.46Å; T430-H432 VanDerWaalsContact C-N 3.28Å; T430-H432 PolarHBondContact O-N 3.21Å; H432-S436 PolarHBondContact O-N 2.87Å; H432-S436 VanDerWaalsContact O-N 3.12Å; H432-S436 PolarHBondContact O-OG 3.35Å; H432-Y526 WeakPolarHBondContact CA-OH 3.35Å; H432-Y526 HydrophobicContact CB-CE2 4.15Å; H432-Y526 PolarHBondContact CD2-OH 3.09Å; H432-F529 HydrophobicContact CB-CE1 4.26Å
433I98.6Very high98.1Very high0 Ų030.2 Ų30.20%016%0.159CC..Hα-helixtrans-63.1-45.5172.9-65.8168000110.6H293 Q325 G429 T430 R431 S436 M437H293-I433 HydrophobicContact CB-CG2 4.27Å; Q325-I433 HydrophobicContact CG-CD1 4.13Å; G429-I433 WeakPolarHBondContact O-CG1 3.35Å; G429-I433 PolarHBondContact O-N 2.96Å; G429-I433 VanDerWaalsContact O-N 3.1Å; T430-I433 PolarHBondContact O-N 3.43Å; R431-I433 VanDerWaalsContact C-N 3.34Å; R431-I433 PolarHBondContact O-N 3.34Å; I433-S436 PolarHBondContact O-N 3.08Å; I433-M437 HydrophobicContact CG2-CE 4.02Å; I433-M437 HydrophobicContact CG2-SD 4.3Å; I433-M437 WeakPolarHBondContact O-CG 3.44Å; I433-M437 PolarHBondContact O-N 2.94Å
434L98.6Very high98.1Very high19 Ų1931.2 Ų31.210%0.09916%0.164CC..Hα-helixtrans-61.3-44.7179-75.7164000112.5M283 T430 R431 S436 M437 K438 I444 L447 T467 L469M283-L434 HydrophobicContact CE-CD2 3.44Å; M283-L434 VanDerWaalsContact CE-CD2 3.44Å; M283-L434 HydrophobicContact CE-CG 4.3Å; M283-L434 HydrophobicContact SD-CD2 3.76Å; M283-L434 HydrophobicContact SD-CG 4.4Å; T430-L434 HydrophobicContact CG2-CD1 4.11Å; T430-L434 PolarHBondContact O-N 2.99Å; R431-L434 WeakPolarHBondContact O-CB 3.32Å; R431-L434 PolarHBondContact O-N 2.93Å; L434-S436 VanDerWaalsContact C-N 3.33Å; L434-S436 PolarHBondContact O-N 2.96Å; L434-M437 PolarHBondContact O-N 3.37Å; L434-K438 WeakPolarHBondContact O-CB 3.27Å; L434-K438 PolarHBondContact O-N 3.3Å; L434-I444 HydrophobicContact CD2-CB 4.04Å; L434-I444 HydrophobicContact CD2-CG1 4.37Å; L434-I444 HydrophobicContact CD2-CG2 3.85Å; L434-L447 HydrophobicContact CD1-CD1 4.47Å; L434-L447 HydrophobicContact CD1-CD2 4.21Å; L434-L447 HydrophobicContact CD2-CD2 4.12Å; L434-T467 HydrophobicContact CD1-CG2 3.64Å; L434-L469 HydrophobicContact CD1-CD1 3.95Å; L434-L469 HydrophobicContact CD2-CD1 4.29Å
435E98.3Very high98.1Very high62 Ų6234.3 Ų34.329%0.2918%0.176SC..Hα-helixtrans-62.4-41.6176.8-63.8-68.2177.600110.9R431 M437 K438 E439R431-E435 HydrophobicContact CG-CG 4.35Å; R431-E435 IonicContact NE-OE1 3.34Å; R431-E435 WeakPolarHBondContact O-CG 3.3Å; R431-E435 PolarHBondContact O-N 2.69Å; E435-M437 PolarHBondContact O-N 2.75Å; E435-K438 WeakPolarHBondContact O-CB 3.5Å; E435-K438 PolarHBondContact O-N 2.85Å; E435-E439 WeakPolarHBondContact O-CG 3.45Å; E435-E439 PolarHBondContact O-N 3.48Å
436S97.3Very high98.1Very high17 Ų1734.2 Ų34.212%0.11918%0.175CC..Hα-helixtrans-64-40.5176.7-55.40000112.3P393 H432 I433 L434 E439 A440P393-S436 VanDerWaalsContact CB-OG 3.22Å; P393-S436 WeakPolarHBondContact CB-OG 3.4Å; P393-S436 VanDerWaalsContact CG-OG 3.28Å; P393-S436 WeakPolarHBondContact CG-OG 3.33Å; H432-S436 PolarHBondContact O-N 2.87Å; H432-S436 VanDerWaalsContact O-N 3.12Å; H432-S436 PolarHBondContact O-OG 3.35Å; I433-S436 PolarHBondContact O-N 3.08Å; L434-S436 VanDerWaalsContact C-N 3.33Å; L434-S436 PolarHBondContact O-N 2.96Å; S436-E439 PolarHBondContact O-N 3.07Å; S436-A440 PolarHBondContact O-N 3.47Å
437M97.4Very high98.1Very high0 Ų034.2 Ų34.20%018%0.175CC..Hα-helixtrans-67.6-37174.7-73.2-173.6173.300112M283 A295 V303 V306 N321 I433 L434 E435 A440 G441 Y442M283-M437 HydrophobicContact CE-CE 4.15Å; M283-M437 HydrophobicContact CE-SD 3.21Å; M283-M437 WeakPolarHBondContact CE-SD 3.42Å; A295-M437 HydrophobicContact CB-CE 4.3Å; A295-M437 HydrophobicContact CB-SD 3.85Å; V303-M437 HydrophobicContact CG1-CG 4.16Å; V306-M437 HydrophobicContact CG1-CE 3.83Å; V306-M437 HydrophobicContact CG2-CE 4.46Å; N321-M437 HydrophobicContact CB-CE 4.38Å; I433-M437 HydrophobicContact CG2-CE 4.02Å; I433-M437 HydrophobicContact CG2-SD 4.3Å; I433-M437 WeakPolarHBondContact O-CG 3.44Å; I433-M437 PolarHBondContact O-N 2.94Å; L434-M437 PolarHBondContact O-N 3.37Å; E435-M437 PolarHBondContact O-N 2.75Å; M437-A440 CarbonylContact O-C 3.51Å; M437-A440 PolarHBondContact O-N 2.93Å; M437-G441 PolarHBondContact O-N 3.33Å; M437-Y442 HydrophobicContact CB-CD2 3.96Å; M437-Y442 HydrophobicContact CB-CG 4.27Å; M437-Y442 HydrophobicContact CG-CD2 4.44Å; M437-Y442 WeakPolarHBondContact O-CB 3.49Å; M437-Y442 WeakPolarHBondContact O-CD2 3.47Å; M437-Y442 PolarHBondContact O-N 3.12Å
438K97.9Very high98Very high136 Ų13634.3 Ų34.359%0.59118%0.176SC*.Hα-helixtrans-63.3-41.9175.6-177.9-177.9176.6-175.80111.8L434 E435 A440 G441 Y442L434-K438 WeakPolarHBondContact O-CB 3.27Å; L434-K438 PolarHBondContact O-N 3.3Å; E435-K438 WeakPolarHBondContact O-CB 3.5Å; E435-K438 PolarHBondContact O-N 2.85Å; K438-A440 PolarHBondContact O-N 3.49Å; K438-G441 WeakPolarHBondContact O-CA 3.37Å; K438-G441 PolarHBondContact O-N 3.32Å; K438-Y442 WeakPolarHBondContact CA-O 3.27Å
439E97.3Very high98Very high169 Ų16934.1 Ų34.179%0.7917%0.174SC*.Hα-helixtrans-60.2-32173.7-72.5175-17600112.4E435 S436 G441E435-E439 WeakPolarHBondContact O-CG 3.45Å; E435-E439 PolarHBondContact O-N 3.48Å; S436-E439 PolarHBondContact O-N 3.07Å; E439-G441 PolarHBondContact O-N 3.15Å
440A95.6Very high97.8Very high26 Ų2633.8 Ų33.822%0.21517%0.171CC..THydrogen-bonded Turntrans-83.26.617300000114.4R301 V303 S436 M437 K438R301-A440 PolarHBondContact NH1-O 2.89Å; V303-A440 HydrophobicContact CB-CB 4.3Å; V303-A440 HydrophobicContact CG1-CB 4.43Å; V303-A440 HydrophobicContact CG2-CB 3.58Å; S436-A440 PolarHBondContact O-N 3.47Å; M437-A440 CarbonylContact O-C 3.51Å; M437-A440 PolarHBondContact O-N 2.93Å; K438-A440 PolarHBondContact O-N 3.49Å
441G96.6Very high97.4Very high37 Ų3735 Ų3538%0.38118%0.183SC..THydrogen-bonded Turntrans88.619.7171.900000115.6R301 M437 K438 E439R301-G441 PolarHBondContact NH1-O 2.93Å; R301-G441 VanDerWaalsContact NH1-O 3.08Å; R301-G441 PolarHBondContact NH2-O 3.47Å; M437-G441 PolarHBondContact O-N 3.33Å; K438-G441 WeakPolarHBondContact O-CA 3.37Å; K438-G441 PolarHBondContact O-N 3.32Å; E439-G441 PolarHBondContact O-N 3.15Å
442Y97.9Very high97Very high11 Ų1135.6 Ų35.64%0.04320%0.201CC..  trans-74.7145.4163.3-76.8-90.3000111.2A295 R301 V303 N321 M437 K438 I444A295-Y442 HydrophobicContact CB-CD1 3.9Å; A295-Y442 HydrophobicContact CB-CE1 3.56Å; A295-Y442 PolarHBondContact O-OH 3.38Å; R301-Y442 HydrophobicContact CB-CE2 3.79Å; R301-Y442 VanDerWaalsContact CD-CE2 3.43Å; R301-Y442 HydrophobicContact CG-CE2 4.23Å; V303-Y442 HydrophobicContact CG2-CD2 4.48Å; V303-Y442 HydrophobicContact CG2-CE2 4.04Å; N321-Y442 HydrophobicContact CB-CE2 4.42Å; N321-Y442 WeakPolarHBondContact CB-OH 3.31Å; N321-Y442 PolarHBondContact ND2-OH 2.94Å; M437-Y442 HydrophobicContact CB-CD2 3.96Å; M437-Y442 HydrophobicContact CB-CG 4.27Å; M437-Y442 HydrophobicContact CG-CD2 4.44Å; M437-Y442 WeakPolarHBondContact O-CB 3.49Å; M437-Y442 WeakPolarHBondContact O-CD2 3.47Å; M437-Y442 PolarHBondContact O-N 3.12Å; K438-Y442 WeakPolarHBondContact CA-O 3.27Å; Y442-I444 HydrophobicContact CD1-CD1 4.13Å
443D97.1Very high96.6Very high82 Ų8235.4 Ų35.444%0.43920%0.2SC..  trans-119.572.3172-176.527.9000109.4S281 R445S281-D443 VanDerWaalsContact CA-O 3.31Å; S281-D443 WeakPolarHBondContact CA-O 3.5Å; S281-D443 WeakPolarHBondContact CB-O 3.2Å; D443-R445 IonicContact OD1-NE 3.85Å; D443-R445 IonicContact OD2-CZ 3.86Å; D443-R445 VanDerWaalsContact OD2-CZ 3.25Å; D443-R445 IonicContact OD2-NE 3.78Å; D443-R445 PolarHBondContact OD2-NE 3.1Å; D443-R445 IonicContact OD2-NH2 3.19Å; D443-R445 PolarHBondContact OD2-NH2 3.49Å
444I98.5Very high96.3Very high21 Ų2136 Ų3611%0.10821%0.205CC..  trans-80.2121.5-179.2-57.4-56.8000109.7M283 A295 L434 Y442 L447 L469M283-I444 HydrophobicContact CB-CD1 4.3Å; M283-I444 HydrophobicContact CB-CG1 4.45Å; M283-I444 HydrophobicContact CB-CG2 3.69Å; M283-I444 HydrophobicContact CE-CG1 4.3Å; A295-I444 HydrophobicContact CB-CD1 4.18Å; L434-I444 HydrophobicContact CD2-CB 4.04Å; L434-I444 HydrophobicContact CD2-CG1 4.37Å; L434-I444 HydrophobicContact CD2-CG2 3.85Å; Y442-I444 HydrophobicContact CD1-CD1 4.13Å; I444-L447 HydrophobicContact CG2-CD2 4.15Å; I444-L469 HydrophobicContact CG2-CD1 4.23Å
445R98.4Very high96Very high65 Ų6542 Ų4225%0.24523%0.23CC..  trans-111.8-18.9-173.4-64.8178.2175.3-117.2-6.9113.6P273 C274 S281 D443P273-R445 HydrophobicContact CB-CB 4.25Å; P273-R445 WeakPolarHBondContact O-CD 3.32Å; C274-R445 HydrophobicContact CB-CB 4.28Å; S281-R445 PolarHBondContact O-N 2.77Å; D443-R445 IonicContact OD1-NE 3.85Å; D443-R445 IonicContact OD2-CZ 3.86Å; D443-R445 VanDerWaalsContact OD2-CZ 3.25Å; D443-R445 IonicContact OD2-NE 3.78Å; D443-R445 PolarHBondContact OD2-NE 3.1Å; D443-R445 IonicContact OD2-NH2 3.19Å; D443-R445 PolarHBondContact OD2-NH2 3.49Å
446T98.7Very high95.9Very high0 Ų040 Ų400%022%0.221CC..EExtended strand (participates in β ladder)trans-154.3139.7-174.8-550000110.3L272 C274 M283 F448 V472L272-T446 HydrophobicContact CD2-CG2 4.09Å; C274-T446 WeakPolarHBondContact CB-OG1 3.37Å; C274-T446 PolarHBondContact SG-OG1 2.88Å; C274-T446 VanDerWaalsContact SG-OG1 3.33Å; M283-T446 PolarHBondContact N-O 3.37Å; M283-T446 VanDerWaalsContact N-O 3.12Å; T446-F448 HydrophobicContact CG2-CD2 4.25Å; T446-F448 HydrophobicContact CG2-CE2 3.7Å; T446-F448 HydrophobicContact CG2-CZ 4.25Å; T446-V472 HydrophobicContact CG2-CG2 3.61Å
447L98.7Very high95.8Very high0 Ų042.8 Ų42.80%023%0.234CC..EExtended strand (participates in β ladder)trans-101.4134.8178.1-54.8179.1000109.8M283 M285 L434 I444 L449 T467 L469 P470 V471 V472M283-L447 HydrophobicContact CB-CD2 3.99Å; M283-L447 HydrophobicContact CG-CD2 4.37Å; M283-L447 CarbonylContact O-C 3.52Å; M283-L447 WeakPolarHBondContact O-CA 3.18Å; M283-L447 HydrophobicContact SD-CD2 4.09Å; M285-L447 HydrophobicContact SD-CB 4.37Å; M285-L447 HydrophobicContact SD-CD1 3.97Å; M285-L447 HydrophobicContact SD-CD2 4.29Å; M285-L447 HydrophobicContact SD-CG 4.43Å; L434-L447 HydrophobicContact CD1-CD1 4.47Å; L434-L447 HydrophobicContact CD1-CD2 4.21Å; L434-L447 HydrophobicContact CD2-CD2 4.12Å; I444-L447 HydrophobicContact CG2-CD2 4.15Å; L447-L449 HydrophobicContact CB-CD1 3.78Å; L447-T467 HydrophobicContact CD1-CG2 4.15Å; L447-L469 HydrophobicContact CD1-CB 4.36Å; L447-L469 HydrophobicContact CD1-CD1 4.5Å; L447-L469 HydrophobicContact CD2-CD1 3.97Å; L447-L469 HydrophobicContact CG-CB 4.15Å; L447-L469 HydrophobicContact CG-CD1 4.08Å; L447-P470 PolarHBondContact N-O 3.05Å; L447-V471 HydrophobicContact CB-CG2 4.1Å; L447-V471 HydrophobicContact CD1-CG2 4.17Å; L447-V471 CarbonylContact O-C 3.56Å; L447-V471 WeakPolarHBondContact O-CA 3.47Å; L447-V472 PolarHBondContact O-N 2.63Å
448F98.4Very high95.8Very high3 Ų344 Ų441%0.01324%0.241CC..EExtended strand (participates in β ladder)trans-114.3111.2177.2-73-104.8000108.6V262 A265 V267 R282 M283 A284 M285 T446 V472V262-F448 HydrophobicContact CB-CB 4.02Å; V262-F448 HydrophobicContact CG2-CB 3.76Å; V262-F448 VanDerWaalsContact O-CD1 3.23Å; V262-F448 WeakPolarHBondContact O-CD1 3.38Å; A265-F448 HydrophobicContact CB-CE1 4.25Å; V267-F448 HydrophobicContact CG1-CE1 4.13Å; V267-F448 HydrophobicContact CG1-CZ 3.75Å; R282-F448 HydrophobicContact CB-CD2 3.96Å; R282-F448 HydrophobicContact CB-CE2 3.74Å; R282-F448 HydrophobicContact CG-CD2 4.42Å; R282-F448 HydrophobicContact CG-CE2 3.7Å; R282-F448 HydrophobicContact CG-CZ 4.36Å; M283-F448 PolarHBondContact O-N 2.89Å; A284-F448 CarbonylContact C-O 3.45Å; A284-F448 WeakPolarHBondContact CA-O 3.16Å; M285-F448 PolarHBondContact N-O 2.79Å; T446-F448 HydrophobicContact CG2-CD2 4.25Å; T446-F448 HydrophobicContact CG2-CE2 3.7Å; T446-F448 HydrophobicContact CG2-CZ 4.25Å; F448-V472 HydrophobicContact CD1-CB 3.73Å; F448-V472 HydrophobicContact CD1-CG1 3.69Å; F448-V472 HydrophobicContact CD1-CG2 4.35Å; F448-V472 HydrophobicContact CE1-CB 3.86Å; F448-V472 HydrophobicContact CE1-CG1 3.69Å; F448-V472 HydrophobicContact CE1-CG2 4.03Å; F448-V472 HydrophobicContact CE2-CG2 4.48Å; F448-V472 HydrophobicContact CG-CB 4.15Å; F448-V472 HydrophobicContact CZ-CB 4.36Å; F448-V472 HydrophobicContact CZ-CG2 4.09Å
449L97.3Very high95.8Very high0 Ų037.5 Ų37.50%021%0.213CC..EExtended strand (participates in β ladder)trans-105.7135.4-172.2-90.667.3000111.3M285 L447 F459 V460 V471 V472 L473 P474M285-L449 HydrophobicContact CB-CD1 3.72Å; M285-L449 HydrophobicContact CB-CG 3.86Å; M285-L449 HydrophobicContact CE-CD1 4.38Å; M285-L449 HydrophobicContact CG-CD1 4.11Å; M285-L449 WeakPolarHBondContact O-CA 3.49Å; M285-L449 HydrophobicContact SD-CD1 3.71Å; M285-L449 HydrophobicContact SD-CG 4.47Å; L447-L449 HydrophobicContact CB-CD1 3.78Å; L449-F459 HydrophobicContact CD2-CE1 4.11Å; L449-V460 HydrophobicContact CD2-CG2 4.38Å; L449-V471 HydrophobicContact CB-CG1 4.17Å; L449-V471 HydrophobicContact CD1-CG1 3.72Å; L449-V471 HydrophobicContact CD1-CG2 4.38Å; L449-V471 HydrophobicContact CD2-CG1 3.98Å; L449-V471 HydrophobicContact CG-CG1 4.15Å; L449-V472 PolarHBondContact N-O 2.95Å; L449-L473 HydrophobicContact CB-CD2 3.86Å; L449-P474 WeakPolarHBondContact O-CD 3.49Å
450C95.6Very high95.8Very high2 Ų229.5 Ų29.51%0.01418%0.175CC..EExtended strand (participates in β ladder)trans-139.3-179.9164.666.70000111.5V262 M285 C287 P474 A479V262-C450 HydrophobicContact CG1-CB 3.83Å; M285-C450 PolarHBondContact O-N 2.92Å; C287-C450 WeakPolarHBondContact CB-O 3.25Å; C287-C450 PolarHBondContact N-O 3.03Å; C450-P474 HydrophobicContact CB-CG 4.38Å; C450-A479 HydrophobicContact CB-CB 3.75Å
451G91.1Very high96Very high25 Ų2531.1 Ų31.126%0.25818%0.178SC..SBendtrans96.7178.3179.100000113.6C287 L453 S454C287-G451 CarbonylContact O-C 3.52Å; C287-G451 VanDerWaalsContact O-CA 3.31Å; C287-G451 WeakPolarHBondContact O-CA 3.13Å; G451-L453 PolarHBondContact O-N 3Å; G451-S454 PolarHBondContact O-N 2.96Å; G451-S454 PolarHBondContact O-OG 2.96Å
452G88.9Confident96.1Very high48 Ų4829.4 Ų29.450%0.49516%0.16SC..G310 helixtrans-61.2-40.7-171.900000113.7C287 S454 K455C287-G452 PolarHBondContact O-N 3.41Å; G452-S454 VanDerWaalsContact C-N 3.27Å; G452-S454 PolarHBondContact O-N 2.83Å; G452-K455 WeakPolarHBondContact O-CB 3.41Å; G452-K455 WeakPolarHBondContact O-CG 3.25Å; G452-K455 PolarHBondContact O-N 2.86Å
453L91Very high96.1Very high20 Ų2028.9 Ų28.911%0.10516%0.158CC..G310 helixtrans-73.5-20.4-176-169.765.8000112.2C287 G451 K455 N456 F459C287-L453 HydrophobicContact CB-CB 3.89Å; C287-L453 PolarHBondContact O-N 3.13Å; C287-L453 VanDerWaalsContact O-N 3.11Å; G451-L453 PolarHBondContact O-N 3Å; L453-K455 PolarHBondContact O-N 2.84Å; L453-N456 WeakPolarHBondContact O-CB 3.43Å; L453-N456 PolarHBondContact O-N 2.91Å; L453-N456 VanDerWaalsContact O-N 3.16Å; L453-F459 HydrophobicContact CD2-CD1 4.23Å; L453-F459 HydrophobicContact CD2-CD2 3.94Å; L453-F459 HydrophobicContact CD2-CE1 3.88Å; L453-F459 HydrophobicContact CD2-CE2 3.55Å; L453-F459 HydrophobicContact CD2-CG 4.25Å; L453-F459 HydrophobicContact CD2-CZ 3.51Å; L453-F459 HydrophobicContact CG-CD1 3.82Å; L453-F459 HydrophobicContact CG-CD2 4.15Å; L453-F459 HydrophobicContact CG-CE1 3.87Å; L453-F459 HydrophobicContact CG-CE2 4.17Å; L453-F459 HydrophobicContact CG-CG 3.96Å; L453-F459 HydrophobicContact CG-CZ 4.03Å
454S92.6Very high96.2Very high14 Ų1425 Ų2510%0.09814%0.137CC..G310 helixtrans-71.4-11.1174.677.10000113.2G451 G452 N456 V460G451-S454 PolarHBondContact O-N 2.96Å; G451-S454 PolarHBondContact O-OG 2.96Å; G452-S454 VanDerWaalsContact C-N 3.27Å; G452-S454 PolarHBondContact O-N 2.83Å; S454-N456 PolarHBondContact O-N 3.2Å; S454-V460 VanDerWaalsContact O-CG2 3.3Å; S454-V460 WeakPolarHBondContact O-CG2 3.25Å
455K92.1Very high96.2Very high145 Ų14524.1 Ų24.163%0.6313%0.133SC*.G310 helixtrans-71-20.9171-60.5179.7179.2179.80112.2G452 L453 L457G452-K455 WeakPolarHBondContact O-CB 3.41Å; G452-K455 WeakPolarHBondContact O-CG 3.25Å; G452-K455 PolarHBondContact O-N 2.86Å; L453-K455 PolarHBondContact O-N 2.84Å; K455-L457 PolarHBondContact O-N 2.91Å
456N95.6Very high96.2Very high18 Ų1821 Ų2110%0.09612%0.121CC..  trans-84.497.7176.2-178.4-10.9000110.5N361 Y419 L453 S454 L458 F459 V460N361-N456 PolarHBondContact ND2-OD1 2.91Å; Y419-N456 PolarHBondContact OH-ND2 3.18Å; L453-N456 WeakPolarHBondContact O-CB 3.43Å; L453-N456 PolarHBondContact O-N 2.91Å; L453-N456 VanDerWaalsContact O-N 3.16Å; S454-N456 PolarHBondContact O-N 3.2Å; N456-L458 PolarHBondContact O-N 2.9Å; N456-L458 PolarHBondContact OD1-N 3.03Å; N456-F459 HydrophobicContact CB-CB 4.07Å; N456-F459 WeakPolarHBondContact O-CB 3.45Å; N456-F459 PolarHBondContact O-N 2.9Å; N456-F459 PolarHBondContact OD1-N 2.69Å; N456-V460 WeakPolarHBondContact O-CG2 3.38Å; N456-V460 PolarHBondContact O-N 2.85Å; N456-V460 VanDerWaalsContact O-N 3.09Å
457L95.6Very high96.2Very high77 Ų7721.8 Ų21.840%0.40313%0.126SC..Hα-helixtrans-62.8-26.6-175.9-66176.8000114.3K455 V460 Q461 L473K455-L457 PolarHBondContact O-N 2.91Å; L457-V460 PolarHBondContact O-N 3.49Å; L457-Q461 WeakPolarHBondContact O-CB 3.34Å; L457-Q461 PolarHBondContact O-N 3.43Å; L457-L473 HydrophobicContact CD2-CD1 4.04Å
458L97.4Very high96.1Very high25 Ų2523.9 Ų23.913%0.13114%0.143CC..Hα-helixtrans-65.8-45.2173.4179.260.7000110.4N361 L364 V374 Y419 L420 L423 N456 V460 Q461 I462N361-L458 HydrophobicContact CB-CD2 4.49Å; N361-L458 WeakPolarHBondContact OD1-CD2 3.4Å; L364-L458 HydrophobicContact CD1-CD2 3.68Å; V374-L458 HydrophobicContact CG1-CD1 3.88Å; V374-L458 HydrophobicContact CG1-CD2 4.46Å; Y419-L458 HydrophobicContact CE1-CD2 4.32Å; L420-L458 HydrophobicContact CD1-CD2 4.39Å; L423-L458 HydrophobicContact CD1-CD2 4.09Å; L423-L458 HydrophobicContact CD1-CG 4.11Å; N456-L458 PolarHBondContact O-N 2.9Å; N456-L458 PolarHBondContact OD1-N 3.03Å; L458-V460 VanDerWaalsContact C-N 3.32Å; L458-V460 PolarHBondContact O-N 3.44Å; L458-Q461 PolarHBondContact O-N 3.33Å; L458-I462 HydrophobicContact CD1-CD1 3.87Å; L458-I462 HydrophobicContact CD1-CG1 4.2Å; L458-I462 HydrophobicContact CG-CD1 3.81Å; L458-I462 WeakPolarHBondContact O-CB 3.39Å; L458-I462 VanDerWaalsContact O-CG1 3.24Å; L458-I462 WeakPolarHBondContact O-CG1 3.14Å; L458-I462 PolarHBondContact O-N 3.39Å
459F97.9Very high96.1Very high0 Ų025.2 Ų25.20%015%0.15CC..Hα-helixtrans-57.9-45.7173.3168.7-96.8000111.4C287 L423 L449 L453 N456 I462 Q463C287-F459 HydrophobicContact CB-CE1 4.35Å; L423-F459 HydrophobicContact CD1-CB 4.39Å; L423-F459 HydrophobicContact CD2-CB 4.35Å; L423-F459 HydrophobicContact CD2-CD2 4.08Å; L449-F459 HydrophobicContact CD2-CE1 4.11Å; L453-F459 HydrophobicContact CD2-CD1 4.23Å; L453-F459 HydrophobicContact CD2-CD2 3.94Å; L453-F459 HydrophobicContact CD2-CE1 3.88Å; L453-F459 HydrophobicContact CD2-CE2 3.55Å; L453-F459 HydrophobicContact CD2-CG 4.25Å; L453-F459 HydrophobicContact CD2-CZ 3.51Å; L453-F459 HydrophobicContact CG-CD1 3.82Å; L453-F459 HydrophobicContact CG-CD2 4.15Å; L453-F459 HydrophobicContact CG-CE1 3.87Å; L453-F459 HydrophobicContact CG-CE2 4.17Å; L453-F459 HydrophobicContact CG-CG 3.96Å; L453-F459 HydrophobicContact CG-CZ 4.03Å; N456-F459 HydrophobicContact CB-CB 4.07Å; N456-F459 WeakPolarHBondContact O-CB 3.45Å; N456-F459 PolarHBondContact O-N 2.9Å; N456-F459 PolarHBondContact OD1-N 2.69Å; F459-I462 PolarHBondContact O-N 3.27Å; F459-Q463 HydrophobicContact CD1-CG 4.38Å; F459-Q463 HydrophobicContact CD2-CG 4.48Å; F459-Q463 HydrophobicContact CE1-CG 4Å; F459-Q463 HydrophobicContact CE2-CG 4.11Å; F459-Q463 VanDerWaalsContact CE2-NE2 3.34Å; F459-Q463 HydrophobicContact CZ-CG 3.86Å; F459-Q463 VanDerWaalsContact CZ-NE2 3.26Å; F459-Q463 VanDerWaalsContact O-CG 3.31Å; F459-Q463 WeakPolarHBondContact O-CG 3.3Å; F459-Q463 PolarHBondContact O-N 2.91Å
460V97.9Very high96.2Very high0 Ų025.5 Ų25.50%015%0.153CC..Hα-helixtrans-62.5-44.6179.6-178.80000111.7L449 S454 N456 L457 L458 Q463 A464 V471 L473 I512L449-V460 HydrophobicContact CD2-CG2 4.38Å; S454-V460 VanDerWaalsContact O-CG2 3.3Å; S454-V460 WeakPolarHBondContact O-CG2 3.25Å; N456-V460 WeakPolarHBondContact O-CG2 3.38Å; N456-V460 PolarHBondContact O-N 2.85Å; N456-V460 VanDerWaalsContact O-N 3.09Å; L457-V460 PolarHBondContact O-N 3.49Å; L458-V460 VanDerWaalsContact C-N 3.32Å; L458-V460 PolarHBondContact O-N 3.44Å; V460-Q463 WeakPolarHBondContact O-CB 3.48Å; V460-Q463 PolarHBondContact O-N 2.95Å; V460-A464 PolarHBondContact O-N 2.95Å; V460-A464 VanDerWaalsContact O-N 3.11Å; V460-V471 HydrophobicContact CG1-CB 4.17Å; V460-V471 HydrophobicContact CG1-CG1 3.49Å; V460-V471 VanDerWaalsContact CG1-CG1 3.49Å; V460-L473 HydrophobicContact CG1-CD1 4.23Å; V460-L473 HydrophobicContact CG1-CD2 4.2Å; V460-L473 HydrophobicContact CG1-CG 4.29Å; V460-L473 HydrophobicContact CG2-CD1 4.43Å; V460-L473 HydrophobicContact CG2-CD2 4.13Å; V460-I512 HydrophobicContact CG1-CB 4.22Å; V460-I512 HydrophobicContact CG1-CG1 3.75Å; V460-I512 HydrophobicContact CG1-CG2 4.5Å
461Q98.2Very high96.3Very high61 Ų6125.4 Ų25.429%0.28515%0.152SC..Hα-helixtrans-64.9-40.9177.8-175.961.86600112L457 L458 Q463 A464 S465 I512 Q513L457-Q461 WeakPolarHBondContact O-CB 3.34Å; L457-Q461 PolarHBondContact O-N 3.43Å; L458-Q461 PolarHBondContact O-N 3.33Å; Q461-Q463 VanDerWaalsContact C-N 3.33Å; Q461-Q463 PolarHBondContact O-N 3.14Å; Q461-A464 PolarHBondContact O-N 2.92Å; Q461-S465 PolarHBondContact NE2-OG 3.06Å; Q461-S465 PolarHBondContact O-N 3.22Å; Q461-S465 PolarHBondContact O-OG 3.26Å; Q461-S465 VanDerWaalsContact O-OG 3.13Å; Q461-I512 HydrophobicContact CB-CG2 4.43Å; Q461-Q513 PolarHBondContact NE2-O 3.11Å
462I98.6Very high96.7Very high0 Ų024.3 Ų24.30%014%0.14CC..Hα-helixtrans-63.3-40176.3-72.8169.4000110.8L420 L423 Q424 A427 L458 F459 S465 A466L420-I462 HydrophobicContact CD1-CD1 3.58Å; L423-I462 HydrophobicContact CB-CD1 3.8Å; L423-I462 HydrophobicContact CD1-CD1 4.06Å; Q424-I462 HydrophobicContact CG-CD1 4.34Å; Q424-I462 HydrophobicContact CG-CG2 4.12Å; A427-I462 HydrophobicContact CB-CG2 3.67Å; L458-I462 HydrophobicContact CD1-CD1 3.87Å; L458-I462 HydrophobicContact CD1-CG1 4.2Å; L458-I462 HydrophobicContact CG-CD1 3.81Å; L458-I462 WeakPolarHBondContact O-CB 3.39Å; L458-I462 VanDerWaalsContact O-CG1 3.24Å; L458-I462 WeakPolarHBondContact O-CG1 3.14Å; L458-I462 PolarHBondContact O-N 3.39Å; F459-I462 PolarHBondContact O-N 3.27Å; I462-S465 PolarHBondContact O-N 3.09Å; I462-A466 WeakPolarHBondContact O-CB 3.38Å; I462-A466 PolarHBondContact O-N 2.83Å
463Q98.6Very high97.1Very high0 Ų022.9 Ų22.90%012%0.121CC..Hα-helixtrans-58.6-49173.3-72.1-71.60.200111.4A427 T430 F459 V460 Q461 T467 V471A427-Q463 HydrophobicContact CB-CG 4.32Å; T430-Q463 PolarHBondContact OG1-NE2 3.35Å; T430-Q463 PolarHBondContact OG1-OE1 3.37Å; F459-Q463 HydrophobicContact CD1-CG 4.38Å; F459-Q463 HydrophobicContact CD2-CG 4.48Å; F459-Q463 HydrophobicContact CE1-CG 4Å; F459-Q463 HydrophobicContact CE2-CG 4.11Å; F459-Q463 VanDerWaalsContact CE2-NE2 3.34Å; F459-Q463 HydrophobicContact CZ-CG 3.86Å; F459-Q463 VanDerWaalsContact CZ-NE2 3.26Å; F459-Q463 VanDerWaalsContact O-CG 3.31Å; F459-Q463 WeakPolarHBondContact O-CG 3.3Å; F459-Q463 PolarHBondContact O-N 2.91Å; V460-Q463 WeakPolarHBondContact O-CB 3.48Å; V460-Q463 PolarHBondContact O-N 2.95Å; Q461-Q463 VanDerWaalsContact C-N 3.33Å; Q461-Q463 PolarHBondContact O-N 3.14Å; Q463-T467 WeakPolarHBondContact O-CB 3.45Å; Q463-T467 VanDerWaalsContact O-CG2 3.3Å; Q463-T467 WeakPolarHBondContact O-CG2 3.26Å; Q463-T467 PolarHBondContact O-N 2.83Å; Q463-T467 VanDerWaalsContact O-N 3.1Å; Q463-T467 PolarHBondContact O-OG1 2.81Å; Q463-V471 HydrophobicContact CB-CG2 4.35Å
464A98.6Very high97.3Very high0 Ų023.3 Ų23.30%013%0.125CC..Hα-helixtrans-60-50.617800000111.6V460 Q461 T467 A468 L469 V471 I512 P514V460-A464 PolarHBondContact O-N 2.95Å; V460-A464 VanDerWaalsContact O-N 3.11Å; Q461-A464 PolarHBondContact O-N 2.92Å; A464-T467 PolarHBondContact O-OG1 2.79Å; A464-A468 VanDerWaalsContact O-CA 3.31Å; A464-A468 WeakPolarHBondContact O-CA 3.31Å; A464-A468 PolarHBondContact O-N 2.94Å; A464-L469 VanDerWaalsContact CA-O 3.26Å; A464-L469 WeakPolarHBondContact CA-O 3.37Å; A464-L469 WeakPolarHBondContact CB-O 3.27Å; A464-L469 PolarHBondContact O-N 2.98Å; A464-V471 HydrophobicContact CB-CB 4.33Å; A464-V471 HydrophobicContact CB-CG2 3.77Å; A464-I512 HydrophobicContact CB-CG2 4.19Å; A464-P514 WeakPolarHBondContact O-CB 3.39Å
465S98.4Very high97.2Very high3 Ų326.9 Ų26.92%0.02114%0.143CC..Hα-helixtrans-65.5-42-177.9-60.80000113.2Q461 I462 N515 Y522Q461-S465 PolarHBondContact NE2-OG 3.06Å; Q461-S465 PolarHBondContact O-N 3.22Å; Q461-S465 PolarHBondContact O-OG 3.26Å; Q461-S465 VanDerWaalsContact O-OG 3.13Å; I462-S465 PolarHBondContact O-N 3.09Å; S465-N515 PolarHBondContact OG-N 3.47Å; S465-Y522 VanDerWaalsContact CB-CE2 3.46Å
466A98.6Very high96.8Very high0 Ų021.6 Ų21.60%012%0.121CC..Hα-helixtrans-71.7-37.4-177.600000112.9A427 R431 I462 Y522A427-A466 HydrophobicContact CB-CB 3.68Å; R431-A466 WeakPolarHBondContact CD-O 3.31Å; R431-A466 PolarHBondContact NH1-O 2.94Å; I462-A466 WeakPolarHBondContact O-CB 3.38Å; I462-A466 PolarHBondContact O-N 2.83Å; A466-Y522 HydrophobicContact CB-CD1 3.51Å; A466-Y522 HydrophobicContact CB-CE1 3.62Å; A466-Y522 HydrophobicContact CB-CG 4Å
467T98.6Very high96Very high16 Ų1624.9 Ų24.910%0.09815%0.145CC..Hα-helixtrans-86.1-14.8178.963.90000113T430 R431 L434 L447 Q463 A464 L469T430-T467 HydrophobicContact CG2-CG2 3.93Å; R431-T467 HydrophobicContact CB-CG2 4.34Å; L434-T467 HydrophobicContact CD1-CG2 3.64Å; L447-T467 HydrophobicContact CD1-CG2 4.15Å; Q463-T467 WeakPolarHBondContact O-CB 3.45Å; Q463-T467 VanDerWaalsContact O-CG2 3.3Å; Q463-T467 WeakPolarHBondContact O-CG2 3.26Å; Q463-T467 PolarHBondContact O-N 2.83Å; Q463-T467 VanDerWaalsContact O-N 3.1Å; Q463-T467 PolarHBondContact O-OG1 2.81Å; A464-T467 PolarHBondContact O-OG1 2.79Å; T467-L469 PolarHBondContact O-N 2.81Å; T467-L469 PolarHBondContact OG1-N 2.96Å
468A97.9Very high95.8Very high44 Ų4422.9 Ų22.936%0.36413%0.133SC..THydrogen-bonded Turntrans56.829.6-171.600000113.6A464A464-A468 VanDerWaalsContact O-CA 3.31Å; A464-A468 WeakPolarHBondContact O-CA 3.31Å; A464-A468 PolarHBondContact O-N 2.94Å
469L98.4Very high95.6Very high31 Ų3121.8 Ų21.816%0.16213%0.128CC..SBendtrans-118.5143.8176.9-63.1178.9000110.5L434 I444 L447 A464 T467L434-L469 HydrophobicContact CD1-CD1 3.95Å; L434-L469 HydrophobicContact CD2-CD1 4.29Å; I444-L469 HydrophobicContact CG2-CD1 4.23Å; L447-L469 HydrophobicContact CD1-CB 4.36Å; L447-L469 HydrophobicContact CD1-CD1 4.5Å; L447-L469 HydrophobicContact CD2-CD1 3.97Å; L447-L469 HydrophobicContact CG-CB 4.15Å; L447-L469 HydrophobicContact CG-CD1 4.08Å; A464-L469 VanDerWaalsContact CA-O 3.26Å; A464-L469 WeakPolarHBondContact CA-O 3.37Å; A464-L469 WeakPolarHBondContact CB-O 3.27Å; A464-L469 PolarHBondContact O-N 2.98Å; T467-L469 PolarHBondContact O-N 2.81Å; T467-L469 PolarHBondContact OG1-N 2.96Å
470P98.4Very high95.5Very high7 Ų722.7 Ų22.75%0.04513%0.133CC..  trans-61.9143168.8-22.735.8000111.1L272 P273 L447 I512L272-P470 HydrophobicContact CD2-CB 3.83Å; P273-P470 HydrophobicContact CG-CG 3.88Å; L447-P470 PolarHBondContact N-O 3.05Å; P470-I512 WeakPolarHBondContact CA-O 3.4Å
471V98.6Very high95.5Very high0 Ų022.7 Ų22.70%013%0.134CC..EExtended strand (participates in β ladder)trans-112.5128.8176.41710000109.7L447 L449 V460 Q463 A464 I512L447-V471 HydrophobicContact CB-CG2 4.1Å; L447-V471 HydrophobicContact CD1-CG2 4.17Å; L447-V471 CarbonylContact O-C 3.56Å; L447-V471 WeakPolarHBondContact O-CA 3.47Å; L449-V471 HydrophobicContact CB-CG1 4.17Å; L449-V471 HydrophobicContact CD1-CG1 3.72Å; L449-V471 HydrophobicContact CD1-CG2 4.38Å; L449-V471 HydrophobicContact CD2-CG1 3.98Å; L449-V471 HydrophobicContact CG-CG1 4.15Å; V460-V471 HydrophobicContact CG1-CB 4.17Å; V460-V471 HydrophobicContact CG1-CG1 3.49Å; V460-V471 VanDerWaalsContact CG1-CG1 3.49Å; Q463-V471 HydrophobicContact CB-CG2 4.35Å; A464-V471 HydrophobicContact CB-CB 4.33Å; A464-V471 HydrophobicContact CB-CG2 3.77Å; V471-I512 HydrophobicContact CB-CB 4.31Å; V471-I512 PolarHBondContact N-O 3.32Å; V471-I512 PolarHBondContact O-N 3.03Å
472V98.3Very high95.4Very high2 Ų220 Ų201%0.01212%0.121CC..EExtended strand (participates in β ladder)trans-104.1128.2176.6178.90000109.3L272 T446 L447 F448 L449 V508 V511L272-V472 HydrophobicContact CD1-CG2 3.6Å; L272-V472 HydrophobicContact CD2-CG2 3.99Å; L272-V472 HydrophobicContact CG-CG2 4.48Å; T446-V472 HydrophobicContact CG2-CG2 3.61Å; L447-V472 PolarHBondContact O-N 2.63Å; F448-V472 HydrophobicContact CD1-CB 3.73Å; F448-V472 HydrophobicContact CD1-CG1 3.69Å; F448-V472 HydrophobicContact CD1-CG2 4.35Å; F448-V472 HydrophobicContact CE1-CB 3.86Å; F448-V472 HydrophobicContact CE1-CG1 3.69Å; F448-V472 HydrophobicContact CE1-CG2 4.03Å; F448-V472 HydrophobicContact CE2-CG2 4.48Å; F448-V472 HydrophobicContact CG-CB 4.15Å; F448-V472 HydrophobicContact CZ-CB 4.36Å; F448-V472 HydrophobicContact CZ-CG2 4.09Å; L449-V472 PolarHBondContact N-O 2.95Å; V472-V508 HydrophobicContact CG1-CB 4.36Å; V472-V508 HydrophobicContact CG1-CG1 3.95Å; V472-V508 HydrophobicContact CG1-CG2 3.95Å; V472-V511 HydrophobicContact CG2-CG2 4.44Å
473L97.6Very high95.4Very high17 Ų1720 Ų209%0.08912%0.121CC..EExtended strand (participates in β ladder)trans-104.5138.1168.1-62.1176.1000109.3L449 L457 V460 G509 R510L449-L473 HydrophobicContact CB-CD2 3.86Å; L457-L473 HydrophobicContact CD2-CD1 4.04Å; V460-L473 HydrophobicContact CG1-CD1 4.23Å; V460-L473 HydrophobicContact CG1-CD2 4.2Å; V460-L473 HydrophobicContact CG1-CG 4.29Å; V460-L473 HydrophobicContact CG2-CD1 4.43Å; V460-L473 HydrophobicContact CG2-CD2 4.13Å; L473-G509 PolarHBondContact O-N 3.42Å; L473-R510 HydrophobicContact CB-CB 4.34Å; L473-R510 PolarHBondContact N-O 2.91Å; L473-R510 PolarHBondContact O-N 3.34Å; L473-R510 VanDerWaalsContact O-N 3.08Å
474P94.9Very high95.4Very high29 Ų2920 Ų2019%0.18812%0.121CC..EExtended strand (participates in β ladder)trans-66.7151.5177.229.5-35.8000111V262 L449 C450 Q476 A479 K507V262-P474 HydrophobicContact CG1-CB 4.3Å; V262-P474 HydrophobicContact CG1-CG 4.21Å; L449-P474 WeakPolarHBondContact O-CD 3.49Å; C450-P474 HydrophobicContact CB-CG 4.38Å; P474-Q476 VanDerWaalsContact C-N 3.26Å; P474-Q476 WeakPolarHBondContact CG-O 3.42Å; P474-A479 HydrophobicContact CB-CB 4.34Å; P474-A479 HydrophobicContact CG-CB 4.01Å; P474-K507 VanDerWaalsContact CA-O 3.31Å; P474-K507 WeakPolarHBondContact CA-O 3.42Å
475D90.3Very high95.4Very high89 Ų8920 Ų2048%0.47612%0.121SC..SBendtrans-64.8-35.4173-179.753.2000111.5K507 G509D475-K507 HydrophobicContact CB-CB 3.85Å; D475-K507 PolarHBondContact N-O 2.99Å; D475-G509 VanDerWaalsContact CA-CA 3.43Å
476Q85.4Confident95.4Very high35 Ų3519.8 Ų19.816%0.16412%0.12CC..SBendtrans-94.4128.3-179.4-57.4-59.7-4700110.2L27 P474 E478 V482L27-Q476 HydrophobicContact CD1-CB 3.8Å; L27-Q476 HydrophobicContact CD1-CG 4.43Å; L27-Q476 HydrophobicContact CG-CB 4.12Å; L27-Q476 HydrophobicContact CG-CG 4.28Å; L27-Q476 VanDerWaalsContact CG-OE1 3.3Å; P474-Q476 VanDerWaalsContact C-N 3.26Å; P474-Q476 WeakPolarHBondContact CG-O 3.42Å; Q476-E478 PolarHBondContact O-N 3.37Å; Q476-V482 HydrophobicContact CB-CG2 4.28Å
477S78.8Confident95.4Very high86 Ų8619.8 Ų19.860%0.60112%0.12SC*.SBendtrans-66.3-24.7-176.259.60000113.9
478E90.8Very high95.4Very high35 Ų3519 Ų1916%0.16412%0.115CC..  trans-106.958-176.4-57.6-59.4138.100112.2R17 L27 T30 Q476 V480 L481 V482R17-E478 IonicContact CZ-OE2 2.96Å; R17-E478 IonicContact NH1-OE2 3.22Å; R17-E478 PolarHBondContact NH1-OE2 3.33Å; L27-E478 HydrophobicContact CD1-CB 3.9Å; L27-E478 HydrophobicContact CD1-CG 4.31Å; T30-E478 HydrophobicContact CG2-CG 4.38Å; Q476-E478 PolarHBondContact O-N 3.37Å; E478-V480 PolarHBondContact O-N 2.85Å; E478-L481 HydrophobicContact CB-CB 4.15Å; E478-L481 HydrophobicContact CB-CD1 3.79Å; E478-L481 HydrophobicContact CB-CG 4.23Å; E478-L481 HydrophobicContact CG-CD1 4.07Å; E478-L481 PolarHBondContact O-N 3.03Å; E478-L481 VanDerWaalsContact O-N 3.08Å; E478-V482 PolarHBondContact O-N 2.97Å; E478-V482 VanDerWaalsContact O-N 3.15Å
479A92.9Very high95.4Very high3 Ų317 Ų173%0.02510%0.098CC..Hα-helixtrans-58.8-30.4-177.100000114.3G261 V262 C450 P474 V482 G483G261-A479 WeakPolarHBondContact CA-O 3.48Å; V262-A479 HydrophobicContact CG1-CB 3.63Å; C450-A479 HydrophobicContact CB-CB 3.75Å; P474-A479 HydrophobicContact CB-CB 4.34Å; P474-A479 HydrophobicContact CG-CB 4.01Å; A479-V482 PolarHBondContact O-N 3Å; A479-G483 PolarHBondContact O-N 3.35Å
480V95.8Very high95.3Very high18 Ų1816.6 Ų16.611%0.10910%0.098CC..Hα-helixtrans-61.3-47.1174.7-177.90000110.5D10 D78 A257 E478 V482 G483 A484D10-V480 HydrophobicContact CB-CG1 4.13Å; D78-V480 WeakPolarHBondContact OD1-CG1 3.36Å; A257-V480 HydrophobicContact CB-CG1 4.22Å; E478-V480 PolarHBondContact O-N 2.85Å; V480-V482 VanDerWaalsContact C-N 3.31Å; V480-V482 PolarHBondContact O-N 3.24Å; V480-G483 PolarHBondContact O-N 2.9Å; V480-G483 VanDerWaalsContact O-N 3.12Å; V480-A484 PolarHBondContact O-N 3.48Å
481L97.4Very high95.3Very high1 Ų116.5 Ų16.51%0.00510%0.098CC..Hα-helixtrans-64.2-35.2176.8-67.5173.3000112.4D10 R17 A19 T30 E478 A484 A485D10-L481 HydrophobicContact CB-CD2 3.64Å; D10-L481 HydrophobicContact CB-CG 4.47Å; R17-L481 HydrophobicContact CB-CD1 4.07Å; R17-L481 HydrophobicContact CB-CD2 4.01Å; R17-L481 HydrophobicContact CB-CG 4.48Å; A19-L481 HydrophobicContact CB-CB 3.75Å; A19-L481 HydrophobicContact CB-CD1 3.8Å; A19-L481 HydrophobicContact CB-CG 4.26Å; T30-L481 HydrophobicContact CG2-CD1 4.47Å; E478-L481 HydrophobicContact CB-CB 4.15Å; E478-L481 HydrophobicContact CB-CD1 3.79Å; E478-L481 HydrophobicContact CB-CG 4.23Å; E478-L481 HydrophobicContact CG-CD1 4.07Å; E478-L481 PolarHBondContact O-N 3.03Å; E478-L481 VanDerWaalsContact O-N 3.08Å; L481-A484 WeakPolarHBondContact O-CB 3.35Å; L481-A484 PolarHBondContact O-N 2.9Å; L481-A485 WeakPolarHBondContact O-CB 3.42Å; L481-A485 PolarHBondContact O-N 3Å
482V97.6Very high95.3Very high3 Ų317.1 Ų17.12%0.01810%0.102CC..Hα-helixtrans-64.5-44172.9177.80000110.6L27 Q476 E478 A479 V480 A484 A485 V486 M505L27-V482 HydrophobicContact CD2-CG2 3.91Å; L27-V482 HydrophobicContact CG-CG2 4.3Å; Q476-V482 HydrophobicContact CB-CG2 4.28Å; E478-V482 PolarHBondContact O-N 2.97Å; E478-V482 VanDerWaalsContact O-N 3.15Å; A479-V482 PolarHBondContact O-N 3Å; V480-V482 VanDerWaalsContact C-N 3.31Å; V480-V482 PolarHBondContact O-N 3.24Å; V482-A484 VanDerWaalsContact C-N 3.32Å; V482-A484 PolarHBondContact O-N 2.84Å; V482-A485 WeakPolarHBondContact O-CB 3.41Å; V482-A485 PolarHBondContact O-N 2.95Å; V482-A485 VanDerWaalsContact O-N 3.16Å; V482-V486 WeakPolarHBondContact O-CG2 3.48Å; V482-V486 PolarHBondContact O-N 3.08Å; V482-M505 HydrophobicContact CG1-CB 4.3Å
483G97.7Very high95.2Very high0 Ų024.5 Ų24.50%014%0.136CC..Hα-helixtrans-62.6-36.3175.100000113.6A257 A479 V480 V486A257-G483 WeakPolarHBondContact O-CA 3.35Å; A479-G483 PolarHBondContact O-N 3.35Å; V480-G483 PolarHBondContact O-N 2.9Å; V480-G483 VanDerWaalsContact O-N 3.12Å; G483-V486 WeakPolarHBondContact O-CB 3.29Å; G483-V486 PolarHBondContact O-N 3.28Å
484A98.4Very high95.1Very high0 Ų025.1 Ų25.10%014%0.14CC..Hα-helixtrans-63.1-46.2170.600000111.2G76 D78 V480 L481 V482 V486 L487 G488G76-A484 WeakPolarHBondContact CA-O 3.14Å; D78-A484 WeakPolarHBondContact OD2-CB 3.42Å; V480-A484 PolarHBondContact O-N 3.48Å; L481-A484 WeakPolarHBondContact O-CB 3.35Å; L481-A484 PolarHBondContact O-N 2.9Å; V482-A484 VanDerWaalsContact C-N 3.32Å; V482-A484 PolarHBondContact O-N 2.84Å; A484-V486 VanDerWaalsContact C-N 3.26Å; A484-V486 PolarHBondContact O-N 3.46Å; A484-L487 VanDerWaalsContact O-CB 3.26Å; A484-L487 WeakPolarHBondContact O-CB 3.24Å; A484-L487 PolarHBondContact O-N 3.48Å; A484-G488 PolarHBondContact O-N 2.97Å
485A98.4Very high95.2Very high0 Ų024.6 Ų24.60%013%0.134CC..Hα-helixtrans-63.3-31.4178.100000112.8V21 L481 V482 L487 G488 A489 M505V21-A485 HydrophobicContact CB-CB 3.78Å; V21-A485 HydrophobicContact CG1-CB 4.27Å; V21-A485 HydrophobicContact CG2-CB 3.48Å; V21-A485 VanDerWaalsContact CG2-CB 3.48Å; L481-A485 WeakPolarHBondContact O-CB 3.42Å; L481-A485 PolarHBondContact O-N 3Å; V482-A485 WeakPolarHBondContact O-CB 3.41Å; V482-A485 PolarHBondContact O-N 2.95Å; V482-A485 VanDerWaalsContact O-N 3.16Å; A485-L487 PolarHBondContact O-N 3.35Å; A485-G488 PolarHBondContact O-N 2.86Å; A485-A489 WeakPolarHBondContact O-CB 3.25Å; A485-A489 PolarHBondContact O-N 3.12Å; A485-M505 HydrophobicContact CB-CE 3.91Å
486V98.4Very high95.2Very high0 Ų023.5 Ų23.50%014%0.144CC..Hα-helixtrans-57.3-37.4171.21630000111.4L260 V482 G483 A484 A489 C490 I498 A501 M502 M505L260-V486 HydrophobicContact CD1-CG1 4.22Å; V482-V486 WeakPolarHBondContact O-CG2 3.48Å; V482-V486 PolarHBondContact O-N 3.08Å; G483-V486 WeakPolarHBondContact O-CB 3.29Å; G483-V486 PolarHBondContact O-N 3.28Å; A484-V486 VanDerWaalsContact C-N 3.26Å; A484-V486 PolarHBondContact O-N 3.46Å; V486-A489 PolarHBondContact O-N 3.31Å; V486-C490 WeakPolarHBondContact O-CB 3.32Å; V486-C490 PolarHBondContact O-N 3.08Å; V486-I498 HydrophobicContact CG1-CD1 4.23Å; V486-I498 HydrophobicContact CG1-CG1 3.56Å; V486-A501 HydrophobicContact CG1-CB 3.95Å; V486-M502 HydrophobicContact CG1-CG 3.98Å; V486-M505 HydrophobicContact CB-SD 4.47Å; V486-M505 HydrophobicContact CG2-CB 3.99Å; V486-M505 HydrophobicContact CG2-CE 4.12Å; V486-M505 HydrophobicContact CG2-CG 4.41Å; V486-M505 HydrophobicContact CG2-SD 3.7Å
487L98.5Very high95.6Very high0 Ų025 Ų250%016%0.156CC..Hα-helixtrans-63-46.2175.5-55.1171.2000111.3P224 L252 L260 A484 A485 A489 C490 A491 I498P224-L487 HydrophobicContact CB-CD2 4Å; L252-L487 HydrophobicContact CB-CD1 4.09Å; L252-L487 HydrophobicContact CD1-CD1 4.14Å; L252-L487 HydrophobicContact CD1-CD2 3.73Å; L252-L487 HydrophobicContact CD1-CG 4.3Å; L252-L487 HydrophobicContact CG-CD1 3.98Å; L252-L487 HydrophobicContact CG-CD2 3.91Å; L260-L487 HydrophobicContact CD1-CD2 3.95Å; A484-L487 VanDerWaalsContact O-CB 3.26Å; A484-L487 WeakPolarHBondContact O-CB 3.24Å; A484-L487 PolarHBondContact O-N 3.48Å; A485-L487 PolarHBondContact O-N 3.35Å; L487-A489 VanDerWaalsContact C-N 3.35Å; L487-C490 PolarHBondContact O-N 3.34Å; L487-A491 WeakPolarHBondContact O-CB 3.38Å; L487-A491 PolarHBondContact O-N 2.74Å; L487-I498 HydrophobicContact CD2-CD1 4.08Å
488G98.2Very high96.4Very high0 Ų021.1 Ų21.10%013%0.128CC..Hα-helixtrans-64.2-38.8177.100000112.7A484 A485 A491 S492A484-G488 PolarHBondContact O-N 2.97Å; A485-G488 PolarHBondContact O-N 2.86Å; G488-A491 PolarHBondContact O-N 2.72Å; G488-S492 PolarHBondContact O-N 3.04Å
489A98.3Very high96.6Very high0 Ų022.3 Ų22.30%013%0.134CC..Hα-helixtrans-68.7-37.9177.900000113.2Y6 A485 V486 L487 S492 Y495 M505Y6-A489 HydrophobicContact CD1-CB 3.77Å; Y6-A489 HydrophobicContact CD2-CB 3.59Å; Y6-A489 HydrophobicContact CE1-CB 3.76Å; Y6-A489 HydrophobicContact CE2-CB 3.5Å; Y6-A489 HydrophobicContact CG-CB 3.72Å; A485-A489 WeakPolarHBondContact O-CB 3.25Å; A485-A489 PolarHBondContact O-N 3.12Å; V486-A489 PolarHBondContact O-N 3.31Å; L487-A489 VanDerWaalsContact C-N 3.35Å; A489-S492 PolarHBondContact O-OG 2.68Å; A489-Y495 HydrophobicContact CB-CD2 3.8Å; A489-Y495 HydrophobicContact CB-CE2 3.86Å; A489-M505 HydrophobicContact CB-CE 4.44Å; A489-M505 HydrophobicContact CB-SD 3.79Å
490C97.3Very high96.8Very high24 Ų2425.8 Ų25.816%0.16215%0.15CC..Hα-helixtrans-67.5-43.5173.4-170.50000110.6V486 L487 S492 Q493V486-C490 WeakPolarHBondContact O-CB 3.32Å; V486-C490 PolarHBondContact O-N 3.08Å; L487-C490 PolarHBondContact O-N 3.34Å; C490-S492 VanDerWaalsContact C-N 3.29Å; C490-S492 PolarHBondContact O-N 3.13Å; C490-Q493 PolarHBondContact O-N 3.2Å
491A98.1Very high96.8Very high5 Ų525 Ų254%0.04115%0.145CC..Hα-helixtrans-66.1-29.1179.200000113.6G225 P227 A247 G249 L487 G488 Q493G225-A491 PolarHBondContact O-N 3.38Å; P227-A491 HydrophobicContact CB-CB 4.5Å; A247-A491 HydrophobicContact CB-CB 4.14Å; A247-A491 WeakPolarHBondContact CB-O 3.39Å; G249-A491 VanDerWaalsContact CA-CB 3.46Å; L487-A491 WeakPolarHBondContact O-CB 3.38Å; L487-A491 PolarHBondContact O-N 2.74Å; G488-A491 PolarHBondContact O-N 2.72Å; A491-Q493 PolarHBondContact O-N 2.99Å
492S97.8Very high96.8Very high13 Ų1325 Ų259%0.09115%0.145CC..THydrogen-bonded Turntrans-73.4-7.7174.775.90000113.6Y6 R73 G488 A489 C490 D494Y6-S492 WeakPolarHBondContact CE1-OG 3.26Å; R73-S492 VanDerWaalsContact O-CB 3.3Å; R73-S492 WeakPolarHBondContact O-CB 3.48Å; G488-S492 PolarHBondContact O-N 3.04Å; A489-S492 PolarHBondContact O-OG 2.68Å; C490-S492 VanDerWaalsContact C-N 3.29Å; C490-S492 PolarHBondContact O-N 3.13Å; S492-D494 PolarHBondContact O-N 2.8Å; S492-D494 PolarHBondContact OG-N 3.38Å; S492-D494 PolarHBondContact OG-OD2 2.99Å
493Q96.3Very high96.7Very high156 Ų15628.6 Ų28.673%0.72916%0.161SC*.THydrogen-bonded Turntrans60.622.2-176.1-51.3-176.1-54.900113.8C490 A491 Y495C490-Q493 PolarHBondContact O-N 3.2Å; A491-Q493 PolarHBondContact O-N 2.99Å; Q493-Y495 PolarHBondContact O-N 3.25Å
494D96.4Very high96.6Very high30 Ų3032.7 Ų32.716%0.1618%0.179CC..SBendtrans-76-13.1172.3-68.8-39.2000112.6Y6 R23 R73 S492Y6-D494 WeakPolarHBondContact CE1-OD2 3.33Å; Y6-D494 WeakPolarHBondContact OH-CB 3.39Å; Y6-D494 VanDerWaalsContact OH-CG 3.29Å; Y6-D494 PolarHBondContact OH-OD2 2.87Å; R23-D494 PolarHBondContact NH2-O 3.36Å; R73-D494 IonicContact NH2-OD1 2.75Å; S492-D494 PolarHBondContact O-N 2.8Å; S492-D494 PolarHBondContact OG-N 3.38Å; S492-D494 PolarHBondContact OG-OD2 2.99Å
495Y96.1Very high96.5Very high18 Ų1832.8 Ų32.87%0.07118%0.179CC..SBendtrans-125.4145.1173.2-66.6-71.7000109.6Y6 R23 A489 Q493 E500 A501 K504 M505Y6-Y495 HydrophobicContact CE2-CE2 4.15Å; R23-Y495 HydrophobicContact CG-CE2 4.49Å; R23-Y495 WeakPolarHBondContact CG-OH 3.34Å; R23-Y495 PolarHBondContact O-OH 2.95Å; A489-Y495 HydrophobicContact CB-CD2 3.8Å; A489-Y495 HydrophobicContact CB-CE2 3.86Å; Q493-Y495 PolarHBondContact O-N 3.25Å; Y495-E500 HydrophobicContact CD1-CG 3.97Å; Y495-A501 HydrophobicContact CD1-CB 4.39Å; Y495-A501 HydrophobicContact CD2-CB 3.65Å; Y495-A501 HydrophobicContact CE2-CB 4.22Å; Y495-A501 HydrophobicContact CG-CB 3.73Å; Y495-K504 HydrophobicContact CE1-CB 3.88Å; Y495-K504 HydrophobicContact CE1-CG 3.89Å; Y495-M505 HydrophobicContact CE2-SD 4.12Å
496G91.6Very high96.3Very high67 Ų6732.9 Ų32.969%0.69118%0.18SC*.SBendtrans-75.5-29.3-179.700000113.3E500G496-E500 WeakPolarHBondContact CA-OE2 3.24Å; G496-E500 PolarHBondContact N-OE2 3.38Å
497T94.1Very high96.1Very high67 Ų6735.9 Ų35.941%0.41119%0.194SC..SBendtrans-143.6161.8177.968.40000111.4Q499 E500 A501T497-Q499 PolarHBondContact O-N 3.48Å; T497-E500 PolarHBondContact O-N 3.48Å; T497-E500 WeakPolarHBondContact OG1-CB 3.33Å; T497-E500 PolarHBondContact OG1-N 3.17Å; T497-E500 VanDerWaalsContact OG1-N 3.09Å; T497-A501 PolarHBondContact O-N 3.33Å; T497-A501 VanDerWaalsContact O-N 3.14Å
498I95.2Very high96Very high3 Ų336.6 Ų36.62%0.01520%0.198CC..Hα-helixtrans-64.9-34.3173.9-154.5168.9000111L260 V315 P316 V486 L487 E500 A501 M502L260-I498 HydrophobicContact CD1-CD1 3.45Å; L260-I498 VanDerWaalsContact CD1-CD1 3.45Å; L260-I498 HydrophobicContact CD1-CG1 4.2Å; L260-I498 HydrophobicContact CD2-CD1 4.46Å; V315-I498 HydrophobicContact CG1-CG2 4.2Å; P316-I498 HydrophobicContact CG-CG2 3.97Å; V486-I498 HydrophobicContact CG1-CD1 4.23Å; V486-I498 HydrophobicContact CG1-CG1 3.56Å; L487-I498 HydrophobicContact CD2-CD1 4.08Å; I498-E500 VanDerWaalsContact C-N 3.32Å; I498-E500 PolarHBondContact O-N 3.23Å; I498-A501 WeakPolarHBondContact O-CB 3.47Å; I498-A501 PolarHBondContact O-N 2.88Å; I498-M502 HydrophobicContact CG2-SD 4.26Å; I498-M502 WeakPolarHBondContact O-CG 3.14Å; I498-M502 PolarHBondContact O-N 3.41Å
499Q95.1Very high95.8Very high60 Ų6038.4 Ų38.428%0.2822%0.216SC..Hα-helixtrans-63.3-41.1178.7-65.387.7-24.200110.7I279 V315 P316 T497 M502 E503I279-Q499 HydrophobicContact CD1-CG 4.3Å; V315-Q499 HydrophobicContact CG1-CG 3.8Å; V315-Q499 VanDerWaalsContact CG1-NE2 3.27Å; P316-Q499 PolarHBondContact O-NE2 3.48Å; T497-Q499 PolarHBondContact O-N 3.48Å; Q499-M502 PolarHBondContact O-N 3.1Å; Q499-E503 WeakPolarHBondContact O-CB 3.24Å; Q499-E503 PolarHBondContact O-N 3.33Å
500E96Very high95.7Very high77 Ų7744.5 Ų44.536%0.3624%0.239SC..Hα-helixtrans-61.8-46.6173.4-172.1-169.5171.500111Y495 G496 T497 I498 M502 E503 K504Y495-E500 HydrophobicContact CD1-CG 3.97Å; G496-E500 WeakPolarHBondContact CA-OE2 3.24Å; G496-E500 PolarHBondContact N-OE2 3.38Å; T497-E500 PolarHBondContact O-N 3.48Å; T497-E500 WeakPolarHBondContact OG1-CB 3.33Å; T497-E500 PolarHBondContact OG1-N 3.17Å; T497-E500 VanDerWaalsContact OG1-N 3.09Å; I498-E500 VanDerWaalsContact C-N 3.32Å; I498-E500 PolarHBondContact O-N 3.23Å; E500-M502 VanDerWaalsContact C-N 3.35Å; E500-M502 PolarHBondContact O-N 2.91Å; E500-E503 PolarHBondContact O-N 3.23Å; E500-K504 WeakPolarHBondContact O-CG 3.44Å; E500-K504 PolarHBondContact O-N 2.89Å
501A97.1Very high95.8Very high0 Ų045 Ų450%024%0.242CC..Hα-helixtrans-59.9-44.1176.700000111.8V486 Y495 T497 I498 K504 M505V486-A501 HydrophobicContact CG1-CB 3.95Å; Y495-A501 HydrophobicContact CD1-CB 4.39Å; Y495-A501 HydrophobicContact CD2-CB 3.65Å; Y495-A501 HydrophobicContact CE2-CB 4.22Å; Y495-A501 HydrophobicContact CG-CB 3.73Å; T497-A501 PolarHBondContact O-N 3.33Å; T497-A501 VanDerWaalsContact O-N 3.14Å; I498-A501 WeakPolarHBondContact O-CB 3.47Å; I498-A501 PolarHBondContact O-N 2.88Å; A501-K504 PolarHBondContact O-N 3.38Å; A501-M505 HydrophobicContact CB-SD 4.48Å; A501-M505 WeakPolarHBondContact O-CB 3.47Å; A501-M505 VanDerWaalsContact O-CG 3.23Å; A501-M505 WeakPolarHBondContact O-CG 3.38Å; A501-M505 PolarHBondContact O-N 3.27Å
502M96.4Very high95.7Very high1 Ų145.3 Ų45.31%0.00524%0.242CC..Hα-helixtrans-60.9-46.6176.6-64.8159.866.700111.9L260 V263 V315 V486 I498 Q499 E500 K504 M505 A506L260-M502 HydrophobicContact CB-CG 4.4Å; L260-M502 HydrophobicContact CD2-CE 3.88Å; L260-M502 HydrophobicContact CD2-CG 4.4Å; L260-M502 HydrophobicContact CD2-SD 3.65Å; V263-M502 HydrophobicContact CG1-CE 3.36Å; V315-M502 HydrophobicContact CG2-CE 4.11Å; V315-M502 HydrophobicContact CG2-SD 4.2Å; V486-M502 HydrophobicContact CG1-CG 3.98Å; I498-M502 HydrophobicContact CG2-SD 4.26Å; I498-M502 WeakPolarHBondContact O-CG 3.14Å; I498-M502 PolarHBondContact O-N 3.41Å; Q499-M502 PolarHBondContact O-N 3.1Å; E500-M502 VanDerWaalsContact C-N 3.35Å; E500-M502 PolarHBondContact O-N 2.91Å; M502-K504 VanDerWaalsContact C-N 3.32Å; M502-K504 PolarHBondContact O-N 2.85Å; M502-M505 PolarHBondContact O-N 2.94Å; M502-A506 WeakPolarHBondContact O-CB 3.33Å; M502-A506 PolarHBondContact O-N 3.04Å
503E95.4Very high95.7Very high79 Ų7949.1 Ų49.137%0.36926%0.259SS..Hα-helixtrans-60.4-41.8178.1-171.1-160122.800111.9G264 D266 Q499 E500G264-E503 WeakPolarHBondContact O-CA 3.42Å; D266-E503 HydrophobicContact CB-CG 4.41Å; Q499-E503 WeakPolarHBondContact O-CB 3.24Å; Q499-E503 PolarHBondContact O-N 3.33Å; E500-E503 PolarHBondContact O-N 3.23Å
504K95.8Very high95.8Very high87 Ų8742.4 Ų42.438%0.37823%0.229SC..Hα-helixtrans-76.5-32.2-179.4-62.9-52.8177.8-142.80113.2Q24 Y495 E500 A501 M502 K507Q24-K504 CarbonylContact C-O 3.56Å; Q24-K504 VanDerWaalsContact O-O 3.08Å; Y495-K504 HydrophobicContact CE1-CB 3.88Å; Y495-K504 HydrophobicContact CE1-CG 3.89Å; E500-K504 WeakPolarHBondContact O-CG 3.44Å; E500-K504 PolarHBondContact O-N 2.89Å; A501-K504 PolarHBondContact O-N 3.38Å; M502-K504 VanDerWaalsContact C-N 3.32Å; M502-K504 PolarHBondContact O-N 2.85Å; K504-K507 WeakPolarHBondContact O-CE 3.07Å; K504-K507 PolarHBondContact O-NZ 3.3Å
505M96.6Very high95.8Very high1 Ų142.9 Ų42.91%0.00523%0.231CC..Hα-helixtrans-98.6-35.5-172.8-63.3176.767.800114.2Y6 V21 R23 G25 V482 A485 V486 A489 Y495 A501 M502Y6-M505 HydrophobicContact CD2-CE 3.96Å; Y6-M505 HydrophobicContact CD2-SD 4.4Å; V21-M505 HydrophobicContact CB-CE 4.45Å; V21-M505 HydrophobicContact CG1-CE 3.78Å; R23-M505 WeakPolarHBondContact O-CG 3.36Å; G25-M505 WeakPolarHBondContact CA-O 3.21Å; V482-M505 HydrophobicContact CG1-CB 4.3Å; A485-M505 HydrophobicContact CB-CE 3.91Å; V486-M505 HydrophobicContact CB-SD 4.47Å; V486-M505 HydrophobicContact CG2-CB 3.99Å; V486-M505 HydrophobicContact CG2-CE 4.12Å; V486-M505 HydrophobicContact CG2-CG 4.41Å; V486-M505 HydrophobicContact CG2-SD 3.7Å; A489-M505 HydrophobicContact CB-CE 4.44Å; A489-M505 HydrophobicContact CB-SD 3.79Å; Y495-M505 HydrophobicContact CE2-SD 4.12Å; A501-M505 HydrophobicContact CB-SD 4.48Å; A501-M505 WeakPolarHBondContact O-CB 3.47Å; A501-M505 VanDerWaalsContact O-CG 3.23Å; A501-M505 WeakPolarHBondContact O-CG 3.38Å; A501-M505 PolarHBondContact O-N 3.27Å; M502-M505 PolarHBondContact O-N 2.94Å
506A94.8Very high95.7Very high2 Ų248 Ų482%0.01726%0.256CS..  trans-78.6135175.800000110.3G261 A265 M502G261-A506 VanDerWaalsContact O-CB 3.31Å; G261-A506 WeakPolarHBondContact O-CB 3.46Å; A265-A506 HydrophobicContact CB-CB 3.83Å; M502-A506 WeakPolarHBondContact O-CB 3.33Å; M502-A506 PolarHBondContact O-N 3.04Å
507K92.8Very high95.9Very high64 Ų6452.3 Ų52.328%0.27826%0.258SS..BIsolated β-bridgetrans-129135.3-176.3-61-62.6169.2-151.10111.6Q24 P474 D475 K504 G509Q24-K507 WeakPolarHBondContact O-CE 3.21Å; P474-K507 VanDerWaalsContact CA-O 3.31Å; P474-K507 WeakPolarHBondContact CA-O 3.42Å; D475-K507 HydrophobicContact CB-CB 3.85Å; D475-K507 PolarHBondContact N-O 2.99Å; K504-K507 WeakPolarHBondContact O-CE 3.07Å; K504-K507 PolarHBondContact O-NZ 3.3Å; K507-G509 PolarHBondContact O-N 3.03Å
508V96Very high96Very high15 Ų1549.4 Ų49.49%0.09124%0.24CC..EExtended strand (participates in β ladder)trans-72122.9169.8175.30000108.8A265 D266 V267 F270 V472 V511A265-V508 HydrophobicContact CB-CG2 4.08Å; D266-V508 VanDerWaalsContact O-CG2 3.3Å; D266-V508 WeakPolarHBondContact O-CG2 3.09Å; V267-V508 HydrophobicContact CG1-CG2 4.22Å; F270-V508 HydrophobicContact CD1-CB 4.36Å; F270-V508 HydrophobicContact CD1-CG1 3.55Å; F270-V508 HydrophobicContact CD2-CB 4.1Å; F270-V508 HydrophobicContact CD2-CG1 4.09Å; F270-V508 HydrophobicContact CD2-CG2 4.3Å; F270-V508 HydrophobicContact CE1-CB 3.99Å; F270-V508 HydrophobicContact CE1-CG1 3.44Å; F270-V508 VanDerWaalsContact CE1-CG1 3.44Å; F270-V508 HydrophobicContact CE2-CB 3.71Å; F270-V508 HydrophobicContact CE2-CG1 3.99Å; F270-V508 HydrophobicContact CE2-CG2 4.24Å; F270-V508 HydrophobicContact CG-CB 4.41Å; F270-V508 HydrophobicContact CG-CG1 3.87Å; F270-V508 HydrophobicContact CZ-CB 3.64Å; F270-V508 HydrophobicContact CZ-CG1 3.67Å; V472-V508 HydrophobicContact CG1-CB 4.36Å; V472-V508 HydrophobicContact CG1-CG1 3.95Å; V472-V508 HydrophobicContact CG1-CG2 3.95Å; V508-V511 HydrophobicContact CG1-CG2 3.98Å
509G95.3Very high96.1Very high37 Ų3753.9 Ų53.938%0.38126%0.259SS..EExtended strand (participates in β ladder)trans-100.2-53.1175.900000112L473 D475 K507L473-G509 PolarHBondContact O-N 3.42Å; D475-G509 VanDerWaalsContact CA-CA 3.43Å; K507-G509 PolarHBondContact O-N 3.03Å
510R96.2Very high96.2Very high128 Ų12854.4 Ų54.448%0.48327%0.269SS..EExtended strand (participates in β ladder)trans-140.5136.2-177.5-174.4174.5-178.6-178.9-4.4111.5L473 I512L473-R510 HydrophobicContact CB-CB 4.34Å; L473-R510 PolarHBondContact N-O 2.91Å; L473-R510 PolarHBondContact O-N 3.34Å; L473-R510 VanDerWaalsContact O-N 3.08Å; R510-I512 HydrophobicContact CG-CD1 3.95Å; R510-I512 VanDerWaalsContact NE-CD1 3.26Å
511V97.9Very high96.3Very high36 Ų3651.2 Ų51.222%0.21825%0.254CS..EExtended strand (participates in β ladder)trans-104.8131.8171.1179.50000109.4F270 L272 V472 V508F270-V511 HydrophobicContact CB-CG2 4.25Å; F270-V511 HydrophobicContact CD1-CG2 4.08Å; L272-V511 HydrophobicContact CD1-CG2 4.26Å; L272-V511 HydrophobicContact CD2-CG1 3.65Å; L272-V511 HydrophobicContact CD2-CG2 4.17Å; L272-V511 HydrophobicContact CG-CG2 4.39Å; V472-V511 HydrophobicContact CG2-CG2 4.44Å; V508-V511 HydrophobicContact CG1-CG2 3.98Å
512I97.9Very high96.4Very high11 Ų1151.2 Ų51.26%0.05625%0.254CS..EExtended strand (participates in β ladder)trans-113.5115.7174.5-55.1-60.9000108V460 Q461 A464 P470 V471 R510V460-I512 HydrophobicContact CG1-CB 4.22Å; V460-I512 HydrophobicContact CG1-CG1 3.75Å; V460-I512 HydrophobicContact CG1-CG2 4.5Å; Q461-I512 HydrophobicContact CB-CG2 4.43Å; A464-I512 HydrophobicContact CB-CG2 4.19Å; P470-I512 WeakPolarHBondContact CA-O 3.4Å; V471-I512 HydrophobicContact CB-CB 4.31Å; V471-I512 PolarHBondContact N-O 3.32Å; V471-I512 PolarHBondContact O-N 3.03Å; R510-I512 HydrophobicContact CG-CD1 3.95Å; R510-I512 VanDerWaalsContact NE-CD1 3.26Å
513Q97.8Very high96.5Very high92 Ų9253.1 Ų53.143%0.4326%0.264SS..  trans-84146.4-179.9-65.4-66.3-800111Q461Q461-Q513 PolarHBondContact NE2-O 3.11Å
514P97.3Very high96.6Very high16 Ų1655.9 Ų55.910%0.10427%0.271CS..  trans-64.1137.5172.427.6-34000110.3A464 Q516A464-P514 WeakPolarHBondContact O-CB 3.39Å; P514-Q516 PolarHBondContact O-N 3.29Å
515N95.5Very high96.8Very high39 Ų3952 Ų5221%0.20926%0.255CS..  trans-77.8109.3172-175.4-15.7000109.9S465 E517 L518S465-N515 PolarHBondContact OG-N 3.47Å; N515-E517 VanDerWaalsContact C-N 3.28Å; N515-E517 PolarHBondContact O-N 3.08Å; N515-E517 WeakPolarHBondContact OD1-CB 3.41Å; N515-E517 PolarHBondContact OD1-N 3.27Å; N515-L518 HydrophobicContact CB-CB 4.42Å; N515-L518 HydrophobicContact CB-CD1 4.03Å; N515-L518 HydrophobicContact CB-CG 4.29Å; N515-L518 PolarHBondContact O-N 3.47Å
516Q94.3Very high96.9Very high125 Ų12553.2 Ų53.258%0.58426%0.259SS*.G310 helixtrans-64.7-29.6-176.7-63.9-59.9-30.300113.4P514 L518 K519P514-Q516 PolarHBondContact O-N 3.29Å; Q516-L518 PolarHBondContact O-N 3.14Å; Q516-K519 WeakPolarHBondContact O-CB 3.26Å; Q516-K519 PolarHBondContact O-N 2.88Å
517E95.7Very high97.1Very high158 Ų15860 Ų6074%0.73829%0.288SS*.G310 helixtrans-65.9-29.6178.5-60-179.8171.200111.5N515N515-E517 VanDerWaalsContact C-N 3.28Å; N515-E517 PolarHBondContact O-N 3.08Å; N515-E517 WeakPolarHBondContact OD1-CB 3.41Å; N515-E517 PolarHBondContact OD1-N 3.27Å
518L96.6Very high97.3Very high7 Ų758.6 Ų58.64%0.03729%0.285CS..G310 helixtrans-85.5-4.3180-66176.8000113.7D375 L376 N515 Q516 S520 F521 Y522D375-L518 HydrophobicContact CB-CD1 3.63Å; D375-L518 HydrophobicContact CB-CD2 4.08Å; L376-L518 HydrophobicContact CD2-CD2 3.87Å; L376-L518 HydrophobicContact CG-CD2 4.3Å; N515-L518 HydrophobicContact CB-CB 4.42Å; N515-L518 HydrophobicContact CB-CD1 4.03Å; N515-L518 HydrophobicContact CB-CG 4.29Å; N515-L518 PolarHBondContact O-N 3.47Å; Q516-L518 PolarHBondContact O-N 3.14Å; L518-S520 VanDerWaalsContact C-N 3.34Å; L518-S520 PolarHBondContact O-N 3.37Å; L518-F521 HydrophobicContact CD2-CB 4.45Å; L518-F521 HydrophobicContact CD2-CD1 4.43Å; L518-F521 WeakPolarHBondContact O-CA 3.31Å; L518-F521 WeakPolarHBondContact O-CB 3.3Å; L518-F521 PolarHBondContact O-N 2.75Å; L518-Y522 HydrophobicContact CB-CD2 4Å; L518-Y522 HydrophobicContact CB-CE2 4.16Å; L518-Y522 HydrophobicContact CD1-CE2 4.33Å; L518-Y522 PolarHBondContact O-N 3.23Å
519K96.9Very high97.5Very high97 Ų9758.1 Ų58.142%0.42228%0.282SS..Hα-helixtrans-54.8-50.1-178.5-175.4-174.3-179-60.30111.8Q516 F521 Y522 D523Q516-K519 WeakPolarHBondContact O-CB 3.26Å; Q516-K519 PolarHBondContact O-N 2.88Å; K519-F521 VanDerWaalsContact C-N 3.28Å; K519-F521 PolarHBondContact O-N 2.85Å; K519-Y522 PolarHBondContact O-N 3.27Å; K519-D523 IonicContact NZ-OD2 2.73Å; K519-D523 PolarHBondContact NZ-OD2 2.54Å; K519-D523 WeakPolarHBondContact O-CB 3.31Å; K519-D523 VanDerWaalsContact O-CG 3.22Å; K519-D523 PolarHBondContact O-N 3.1Å
520S97.8Very high97.6Very high70 Ų7059.5 Ų59.549%0.4928%0.28SS..Hα-helixtrans-63.6-34.9179.8-172.20000112.2L518 R524L518-S520 VanDerWaalsContact C-N 3.34Å; L518-S520 PolarHBondContact O-N 3.37Å; S520-R524 WeakPolarHBondContact O-CG 3.2Å; S520-R524 PolarHBondContact O-N 3.3Å; S520-R524 PolarHBondContact O-NH1 3.24Å; S520-R524 VanDerWaalsContact O-NH1 3.11Å; S520-R524 PolarHBondContact OG-NH1 3.49Å
521F98.3Very high97.7Very high10 Ų1058.6 Ų58.64%0.04428%0.282CS..Hα-helixtrans-64.7-50.6175.6168.4-100.8000111.4D375 L376 S379 L518 K519 D523 R524 K525D375-F521 HydrophobicContact CB-CE1 4.2Å; D375-F521 WeakPolarHBondContact O-CZ 3.46Å; L376-F521 HydrophobicContact CD2-CB 4.34Å; L376-F521 HydrophobicContact CD2-CD2 3.76Å; L376-F521 HydrophobicContact CD2-CE2 4.16Å; L376-F521 HydrophobicContact CD2-CG 3.96Å; S379-F521 WeakPolarHBondContact OG-CE2 3.32Å; L518-F521 HydrophobicContact CD2-CB 4.45Å; L518-F521 HydrophobicContact CD2-CD1 4.43Å; L518-F521 WeakPolarHBondContact O-CA 3.31Å; L518-F521 WeakPolarHBondContact O-CB 3.3Å; L518-F521 PolarHBondContact O-N 2.75Å; K519-F521 VanDerWaalsContact C-N 3.28Å; K519-F521 PolarHBondContact O-N 2.85Å; F521-D523 VanDerWaalsContact C-N 3.34Å; F521-D523 PolarHBondContact O-N 2.9Å; F521-R524 WeakPolarHBondContact O-CB 3.34Å; F521-R524 PolarHBondContact O-N 2.97Å; F521-R524 VanDerWaalsContact O-N 3.14Å; F521-K525 HydrophobicContact CD1-CG 4.35Å; F521-K525 HydrophobicContact CD2-CG 4.44Å; F521-K525 HydrophobicContact CE1-CD 4.48Å; F521-K525 HydrophobicContact CE1-CG 3.9Å; F521-K525 HydrophobicContact CE2-CD 4.28Å; F521-K525 HydrophobicContact CE2-CG 4Å; F521-K525 HydrophobicContact CZ-CD 3.91Å; F521-K525 HydrophobicContact CZ-CG 3.71Å; F521-K525 PolarHBondContact O-N 3.38Å
522Y98.6Very high97.7Very high1 Ų157.3 Ų57.30%0.00427%0.273CS..Hα-helixtrans-67.5-32.9179.1-82.9-68.8000113.2D375 Q424 L428 S465 A466 L518 K519 R524 K525 Y526D375-Y522 VanDerWaalsContact OD1-CE2 3.25Å; D375-Y522 WeakPolarHBondContact OD1-CE2 3.45Å; D375-Y522 VanDerWaalsContact OD1-CZ 3.25Å; D375-Y522 PolarHBondContact OD1-OH 3.38Å; Q424-Y522 HydrophobicContact CB-CE1 4.47Å; Q424-Y522 HydrophobicContact CG-CE1 4.21Å; L428-Y522 HydrophobicContact CD2-CD1 4.27Å; S465-Y522 VanDerWaalsContact CB-CE2 3.46Å; A466-Y522 HydrophobicContact CB-CD1 3.51Å; A466-Y522 HydrophobicContact CB-CE1 3.62Å; A466-Y522 HydrophobicContact CB-CG 4Å; L518-Y522 HydrophobicContact CB-CD2 4Å; L518-Y522 HydrophobicContact CB-CE2 4.16Å; L518-Y522 HydrophobicContact CD1-CE2 4.33Å; L518-Y522 PolarHBondContact O-N 3.23Å; K519-Y522 PolarHBondContact O-N 3.27Å; Y522-R524 VanDerWaalsContact C-N 3.3Å; Y522-R524 PolarHBondContact O-N 3.03Å; Y522-K525 PolarHBondContact O-N 3.09Å; Y522-Y526 VanDerWaalsContact O-CB 3.32Å; Y522-Y526 WeakPolarHBondContact O-CB 3.4Å; Y522-Y526 PolarHBondContact O-N 2.84Å
523D98.6Very high97.6Very high40 Ų4059.1 Ų59.121%0.21428%0.281CS..Hα-helixtrans-61.8-37.9171.7-72.5-21.6000111.8R431 K519 F521 K527R431-D523 IonicContact CZ-OD1 3.38Å; R431-D523 IonicContact NH1-OD1 3.93Å; R431-D523 PolarHBondContact NH1-OD1 3.44Å; R431-D523 IonicContact NH2-OD1 3.33Å; R431-D523 PolarHBondContact NH2-OD1 2.9Å; K519-D523 IonicContact NZ-OD2 2.73Å; K519-D523 PolarHBondContact NZ-OD2 2.54Å; K519-D523 WeakPolarHBondContact O-CB 3.31Å; K519-D523 VanDerWaalsContact O-CG 3.22Å; K519-D523 PolarHBondContact O-N 3.1Å; F521-D523 VanDerWaalsContact C-N 3.34Å; F521-D523 PolarHBondContact O-N 2.9Å; D523-K527 WeakPolarHBondContact O-CG 3.27Å; D523-K527 PolarHBondContact O-N 3.22Å
524R98.6Very high97.5Very high137 Ų13757.3 Ų57.352%0.51728%0.278SS..Hα-helixtrans-70.1-45.2172.6-69.1-172.4-59.1-866.6111.9S520 F521 Y522 Y526 K527 V528S520-R524 WeakPolarHBondContact O-CG 3.2Å; S520-R524 PolarHBondContact O-N 3.3Å; S520-R524 PolarHBondContact O-NH1 3.24Å; S520-R524 VanDerWaalsContact O-NH1 3.11Å; S520-R524 PolarHBondContact OG-NH1 3.49Å; F521-R524 WeakPolarHBondContact O-CB 3.34Å; F521-R524 PolarHBondContact O-N 2.97Å; F521-R524 VanDerWaalsContact O-N 3.14Å; Y522-R524 VanDerWaalsContact C-N 3.3Å; Y522-R524 PolarHBondContact O-N 3.03Å; R524-Y526 VanDerWaalsContact C-N 3.26Å; R524-Y526 PolarHBondContact O-N 3.32Å; R524-K527 WeakPolarHBondContact O-CB 3.47Å; R524-K527 PolarHBondContact O-N 3.09Å; R524-V528 PolarHBondContact O-N 2.86Å; R524-V528 VanDerWaalsContact O-N 3.14Å
525K98.7Very high97.5Very high7 Ų759.9 Ų59.93%0.0329%0.289CS..Hα-helixtrans-59.1-38.1176.8-73.2-84.8-72.1-163.20111.7G378 I381 Q424 L428 F521 Y522 V528 F529G378-K525 PolarHBondContact O-NZ 3.43Å; I381-K525 PolarHBondContact O-NZ 2.88Å; Q424-K525 VanDerWaalsContact OE1-CE 3.23Å; L428-K525 HydrophobicContact CD1-CB 3.92Å; L428-K525 HydrophobicContact CD2-CB 4.43Å; F521-K525 HydrophobicContact CD1-CG 4.35Å; F521-K525 HydrophobicContact CD2-CG 4.44Å; F521-K525 HydrophobicContact CE1-CD 4.48Å; F521-K525 HydrophobicContact CE1-CG 3.9Å; F521-K525 HydrophobicContact CE2-CD 4.28Å; F521-K525 HydrophobicContact CE2-CG 4Å; F521-K525 HydrophobicContact CZ-CD 3.91Å; F521-K525 HydrophobicContact CZ-CG 3.71Å; F521-K525 PolarHBondContact O-N 3.38Å; Y522-K525 PolarHBondContact O-N 3.09Å; K525-V528 PolarHBondContact O-N 3.21Å; K525-F529 WeakPolarHBondContact O-CB 3.37Å; K525-F529 PolarHBondContact O-N 3.23Å
526Y98.8Very high97.4Very high25 Ų2558.7 Ų58.710%0.09828%0.282CS..Hα-helixtrans-67-38.7177.6-170.1-123.3000112.6L428 R431 H432 Y522 R524 V528 F529 L530L428-Y526 HydrophobicContact CB-CD2 4.42Å; L428-Y526 HydrophobicContact CD2-CD2 3.92Å; L428-Y526 HydrophobicContact CD2-CG 4.3Å; R431-Y526 HydrophobicContact CB-CE2 4.33Å; R431-Y526 HydrophobicContact CG-CD2 4.35Å; R431-Y526 HydrophobicContact CG-CE2 4.14Å; H432-Y526 WeakPolarHBondContact CA-OH 3.35Å; H432-Y526 HydrophobicContact CB-CE2 4.15Å; H432-Y526 PolarHBondContact CD2-OH 3.09Å; Y522-Y526 VanDerWaalsContact O-CB 3.32Å; Y522-Y526 WeakPolarHBondContact O-CB 3.4Å; Y522-Y526 PolarHBondContact O-N 2.84Å; R524-Y526 VanDerWaalsContact C-N 3.26Å; R524-Y526 PolarHBondContact O-N 3.32Å; Y526-V528 PolarHBondContact O-N 3.49Å; Y526-F529 HydrophobicContact CD2-CD1 4.21Å; Y526-F529 HydrophobicContact CE2-CD1 4.17Å; Y526-F529 WeakPolarHBondContact O-CB 3.49Å; Y526-F529 PolarHBondContact O-N 3.12Å; Y526-L530 HydrophobicContact CD1-CD1 4.23Å; Y526-L530 HydrophobicContact CE1-CD1 3.81Å; Y526-L530 HydrophobicContact CE1-CG 4.4Å; Y526-L530 HydrophobicContact CE2-CD2 4.32Å; Y526-L530 HydrophobicContact CE2-CG 4.35Å; Y526-L530 WeakPolarHBondContact O-CG 3.31Å; Y526-L530 PolarHBondContact O-N 3.16Å
527K98.6Very high97.4Very high144 Ų14456.4 Ų56.463%0.62627%0.268SS*.Hα-helixtrans-60-45.2171.7-69.7174.4-176.3-176.40111.8D523 R524 F529 L530 Q531D523-K527 WeakPolarHBondContact O-CG 3.27Å; D523-K527 PolarHBondContact O-N 3.22Å; R524-K527 WeakPolarHBondContact O-CB 3.47Å; R524-K527 PolarHBondContact O-N 3.09Å; K527-F529 VanDerWaalsContact C-N 3.34Å; K527-L530 PolarHBondContact O-N 3.19Å; K527-Q531 WeakPolarHBondContact O-CG 3.32Å; K527-Q531 PolarHBondContact O-N 2.96Å
528V98.6Very high97.4Very high35 Ų3553.3 Ų53.321%0.21225%0.253CS..Hα-helixtrans-62.5-43175.3177.10000110.9H382 I404 R524 K525 Y526 L530 Q531 L532H382-V528 HydrophobicContact CB-CG1 4.11Å; I404-V528 HydrophobicContact CD1-CG1 4.44Å; R524-V528 PolarHBondContact O-N 2.86Å; R524-V528 VanDerWaalsContact O-N 3.14Å; K525-V528 PolarHBondContact O-N 3.21Å; Y526-V528 PolarHBondContact O-N 3.49Å; V528-L530 VanDerWaalsContact C-N 3.34Å; V528-L530 PolarHBondContact O-N 3.5Å; V528-Q531 WeakPolarHBondContact O-CB 3.42Å; V528-Q531 PolarHBondContact O-N 3.42Å; V528-Q531 VanDerWaalsContact O-N 3.16Å; V528-L532 HydrophobicContact CG1-CG 4.44Å; V528-L532 WeakPolarHBondContact O-CG 3.35Å; V528-L532 PolarHBondContact O-N 3.24Å
529F98.6Very high97.3Very high6 Ų659.2 Ų59.23%0.02628%0.276CS..Hα-helixtrans-56.3-45.9177.5178.8-90.7000112.2W384 P385 L428 H432 K525 Y526 K527 L532 F533W384-F529 HydrophobicContact CE3-CD1 4.38Å; W384-F529 HydrophobicContact CE3-CD2 4.08Å; W384-F529 HydrophobicContact CE3-CE1 4.16Å; W384-F529 AromaticContact CE3-CE2 3.87Å; W384-F529 HydrophobicContact CE3-CE2 3.87Å; W384-F529 HydrophobicContact CE3-CG 4.32Å; W384-F529 AromaticContact CE3-CZ 3.89Å; W384-F529 HydrophobicContact CE3-CZ 3.89Å; W384-F529 AromaticContact CH2-CE1 3.88Å; W384-F529 HydrophobicContact CH2-CE1 3.88Å; W384-F529 AromaticContact CH2-CZ 3.94Å; W384-F529 HydrophobicContact CH2-CZ 3.94Å; W384-F529 AromaticContact CZ3-CD1 3.69Å; W384-F529 HydrophobicContact CZ3-CD1 3.69Å; W384-F529 HydrophobicContact CZ3-CD2 4.17Å; W384-F529 AromaticContact CZ3-CE1 3.32Å; W384-F529 HydrophobicContact CZ3-CE1 3.32Å; W384-F529 AromaticContact CZ3-CE2 3.87Å; W384-F529 HydrophobicContact CZ3-CE2 3.87Å; W384-F529 HydrophobicContact CZ3-CG 4.09Å; W384-F529 AromaticContact CZ3-CZ 3.41Å; W384-F529 HydrophobicContact CZ3-CZ 3.41Å; W384-F529 VanDerWaalsContact CZ3-CZ 3.41Å; W384-F529 VanDerWaalsContact CZ3-O 3.3Å; W384-F529 WeakPolarHBondContact CZ3-O 3.4Å; P385-F529 HydrophobicContact CG-CE2 4.02Å; P385-F529 HydrophobicContact CG-CZ 4.41Å; L428-F529 HydrophobicContact CB-CB 4.4Å; L428-F529 HydrophobicContact CB-CD1 4.38Å; L428-F529 HydrophobicContact CB-CD2 3.73Å; L428-F529 HydrophobicContact CB-CE2 4Å; L428-F529 HydrophobicContact CB-CG 3.93Å; L428-F529 HydrophobicContact CB-CZ 4.48Å; L428-F529 HydrophobicContact CD1-CB 4.22Å; L428-F529 HydrophobicContact CD1-CD2 4.29Å; H432-F529 HydrophobicContact CB-CE1 4.26Å; K525-F529 WeakPolarHBondContact O-CB 3.37Å; K525-F529 PolarHBondContact O-N 3.23Å; Y526-F529 HydrophobicContact CD2-CD1 4.21Å; Y526-F529 HydrophobicContact CE2-CD1 4.17Å; Y526-F529 WeakPolarHBondContact O-CB 3.49Å; Y526-F529 PolarHBondContact O-N 3.12Å; K527-F529 VanDerWaalsContact C-N 3.34Å; F529-L532 WeakPolarHBondContact O-CB 3.34Å; F529-L532 PolarHBondContact O-N 3.42Å; F529-F533 PolarHBondContact O-N 3.05Å
530L98.3Very high97Very high65 Ų6557.4 Ų57.434%0.3427%0.269SS..Hα-helixtrans-68.4-36.7176.1-64.4177000112.6Y526 K527 V528 L532 F533 S534Y526-L530 HydrophobicContact CD1-CD1 4.23Å; Y526-L530 HydrophobicContact CE1-CD1 3.81Å; Y526-L530 HydrophobicContact CE1-CG 4.4Å; Y526-L530 HydrophobicContact CE2-CD2 4.32Å; Y526-L530 HydrophobicContact CE2-CG 4.35Å; Y526-L530 WeakPolarHBondContact O-CG 3.31Å; Y526-L530 PolarHBondContact O-N 3.16Å; K527-L530 PolarHBondContact O-N 3.19Å; V528-L530 VanDerWaalsContact C-N 3.34Å; V528-L530 PolarHBondContact O-N 3.5Å; L530-L532 VanDerWaalsContact C-N 3.34Å; L530-L532 PolarHBondContact O-N 3.13Å; L530-F533 PolarHBondContact O-N 2.7Å; L530-S534 PolarHBondContact O-N 3.21Å; L530-S534 VanDerWaalsContact O-N 3.17Å
531Q98.1Very high96.8Very high110 Ų11056.2 Ų56.251%0.51426%0.264SS..Hα-helixtrans-63.6-38.8174.8-76.1178.9-28.800112.4K527 V528 F533 S534 H535K527-Q531 WeakPolarHBondContact O-CG 3.32Å; K527-Q531 PolarHBondContact O-N 2.96Å; V528-Q531 WeakPolarHBondContact O-CB 3.42Å; V528-Q531 PolarHBondContact O-N 3.42Å; V528-Q531 VanDerWaalsContact O-N 3.16Å; Q531-F533 VanDerWaalsContact C-N 3.29Å; Q531-F533 PolarHBondContact O-N 3.36Å; Q531-S534 WeakPolarHBondContact O-CB 3.1Å; Q531-S534 PolarHBondContact O-N 3.11Å; Q531-H535 VanDerWaalsContact O-CG 3.28Å; Q531-H535 PolarHBondContact O-N 3.08Å; Q531-H535 PolarHBondContact O-ND1 3.38Å
532L97.7Very high96.7Very high8 Ų861.8 Ų61.84%0.04229%0.293CS..Hα-helixtrans-55.5-46.7174.4-74.8178.2000110.8H382 W384 M402 I404 V528 F529 L530 S534 H535 Q536H382-L532 HydrophobicContact CB-CD1 4.07Å; W384-L532 HydrophobicContact CB-CB 4.44Å; W384-L532 HydrophobicContact CB-CD1 4.36Å; W384-L532 HydrophobicContact CE3-CB 4.29Å; M402-L532 VanDerWaalsContact CE-C 3.41Å; M402-L532 HydrophobicContact CE-CB 3.56Å; M402-L532 HydrophobicContact CE-CD2 3.97Å; M402-L532 HydrophobicContact CE-CG 4.31Å; M402-L532 WeakPolarHBondContact CE-O 3.45Å; I404-L532 HydrophobicContact CD1-CD2 3.89Å; I404-L532 HydrophobicContact CG1-CD2 4.17Å; I404-L532 HydrophobicContact CG2-CD2 4.13Å; V528-L532 HydrophobicContact CG1-CG 4.44Å; V528-L532 WeakPolarHBondContact O-CG 3.35Å; V528-L532 PolarHBondContact O-N 3.24Å; F529-L532 WeakPolarHBondContact O-CB 3.34Å; F529-L532 PolarHBondContact O-N 3.42Å; L530-L532 VanDerWaalsContact C-N 3.34Å; L530-L532 PolarHBondContact O-N 3.13Å; L532-S534 PolarHBondContact O-N 2.93Å; L532-H535 PolarHBondContact O-N 3.1Å; L532-Q536 PolarHBondContact O-N 2.86Å
533F96Very high96.5Very high50 Ų5067.5 Ų67.522%0.21932%0.322CS..Hα-helixtrans-60.2-46.7175.8175-117.1000113W384 L394 L399 F529 L530 Q531 H535 Q536 R537W384-F533 HydrophobicContact CE3-CB 4.17Å; W384-F533 HydrophobicContact CH2-CB 3.55Å; W384-F533 HydrophobicContact CH2-CD2 4.13Å; W384-F533 AromaticContact CH2-CG 3.98Å; W384-F533 HydrophobicContact CH2-CG 3.98Å; W384-F533 HydrophobicContact CZ2-CB 3.99Å; W384-F533 AromaticContact CZ2-CD2 3.85Å; W384-F533 HydrophobicContact CZ2-CD2 3.85Å; W384-F533 HydrophobicContact CZ2-CG 4.18Å; W384-F533 HydrophobicContact CZ3-CB 3.62Å; L394-F533 HydrophobicContact CD1-CD1 4.46Å; L394-F533 HydrophobicContact CD1-CD2 3.76Å; L394-F533 HydrophobicContact CD1-CE1 4.25Å; L394-F533 HydrophobicContact CD1-CE2 3.53Å; L394-F533 HydrophobicContact CD1-CG 4.24Å; L394-F533 HydrophobicContact CD1-CZ 3.79Å; L394-F533 HydrophobicContact CD2-CE1 3.97Å; L394-F533 HydrophobicContact CD2-CE2 4.49Å; L394-F533 HydrophobicContact CD2-CZ 3.89Å; L394-F533 HydrophobicContact CG-CZ 4.42Å; L399-F533 HydrophobicContact CD1-CD2 4.34Å; L399-F533 HydrophobicContact CD1-CE2 4.01Å; L399-F533 HydrophobicContact CD2-CD2 4.08Å; L399-F533 HydrophobicContact CD2-CE2 3.96Å; F529-F533 PolarHBondContact O-N 3.05Å; L530-F533 PolarHBondContact O-N 2.7Å; Q531-F533 VanDerWaalsContact C-N 3.29Å; Q531-F533 PolarHBondContact O-N 3.36Å; F533-H535 PolarHBondContact O-N 2.93Å; F533-Q536 PolarHBondContact O-N 2.95Å; F533-R537 HydrophobicContact CE1-CG 4.48Å; F533-R537 HydrophobicContact CE2-CG 3.98Å; F533-R537 HydrophobicContact CZ-CG 3.98Å; F533-R537 PolarHBondContact O-N 2.63Å; F533-R537 VanDerWaalsContact O-N 3.14Å
534S96.8Very high95.9Very high54 Ų5473.7 Ų73.738%0.37835%0.347SS..Hα-helixtrans-55.5-50.2176.7-167.40000111.4L530 Q531 L532 Q536 R537 E538L530-S534 PolarHBondContact O-N 3.21Å; L530-S534 VanDerWaalsContact O-N 3.17Å; Q531-S534 WeakPolarHBondContact O-CB 3.1Å; Q531-S534 PolarHBondContact O-N 3.11Å; L532-S534 PolarHBondContact O-N 2.93Å; S534-Q536 VanDerWaalsContact C-N 3.31Å; S534-Q536 PolarHBondContact O-N 3.21Å; S534-R537 WeakPolarHBondContact O-CB 3.34Å; S534-R537 PolarHBondContact O-N 2.82Å; S534-R537 VanDerWaalsContact O-N 3.09Å; S534-E538 WeakPolarHBondContact O-CG 3.45Å; S534-E538 PolarHBondContact O-N 3.11Å; S534-E538 PolarHBondContact OG-OE1 3.39Å
535H95.9Very high94.3Very high70 Ų7075.1 Ų75.132%0.32436%0.359SS..Hα-helixtrans-59.9-40.6178.8-66.3159.6000112.1Q531 L532 F533 R537 E538 Y539Q531-H535 VanDerWaalsContact O-CG 3.28Å; Q531-H535 PolarHBondContact O-N 3.08Å; Q531-H535 PolarHBondContact O-ND1 3.38Å; L532-H535 PolarHBondContact O-N 3.1Å; F533-H535 PolarHBondContact O-N 2.93Å; H535-R537 VanDerWaalsContact C-N 3.29Å; H535-R537 PolarHBondContact O-N 2.89Å; H535-E538 IonicContact CD2-OE2 2.87Å; H535-E538 PolarHBondContact O-N 3.46Å; H535-Y539 HydrophobicContact CB-CE1 4.37Å; H535-Y539 HydrophobicContact CB-CE2 3.87Å; H535-Y539 WeakPolarHBondContact O-CD1 3.38Å; H535-Y539 WeakPolarHBondContact O-CD2 3.11Å; H535-Y539 PolarHBondContact O-N 2.96Å
536Q94.1Very high92Very high13 Ų1388.1 Ų88.16%0.06141%0.408CS..Hα-helixtrans-59.9-40.6176.8-161.8177.8148.900111.7K400 M402 L532 F533 S534 Q540K400-Q536 PolarHBondContact O-NE2 2.55Å; K400-Q536 PolarHBondContact O-OE1 2.75Å; M402-Q536 HydrophobicContact CE-CB 3.95Å; M402-Q536 HydrophobicContact SD-CB 3.89Å; M402-Q536 HydrophobicContact SD-CG 4.01Å; L532-Q536 PolarHBondContact O-N 2.86Å; F533-Q536 PolarHBondContact O-N 2.95Å; S534-Q536 VanDerWaalsContact C-N 3.31Å; S534-Q536 PolarHBondContact O-N 3.21Å; Q536-Q540 VanDerWaalsContact O-CG 3.32Å; Q536-Q540 WeakPolarHBondContact O-CG 3.31Å; Q536-Q540 PolarHBondContact O-N 3.1Å; Q536-Q540 VanDerWaalsContact O-N 3.1Å
537R93.6Very high91.7Very high77 Ų7791.3 Ų91.329%0.29142%0.423SS..Hα-helixtrans-66.1-44175.8-68.9-68.5127.7168.4-0.5112D396 L399 F533 S534 H535 Q540 A541D396-R537 IonicContact OD1-NH2 3.79Å; D396-R537 IonicContact OD2-CZ 3.25Å; D396-R537 IonicContact OD2-NH1 3.86Å; D396-R537 PolarHBondContact OD2-NH1 3.31Å; D396-R537 IonicContact OD2-NH2 2.74Å; D396-R537 PolarHBondContact OD2-NH2 3.11Å; L399-R537 VanDerWaalsContact CG-NH2 3.27Å; F533-R537 HydrophobicContact CE1-CG 4.48Å; F533-R537 HydrophobicContact CE2-CG 3.98Å; F533-R537 HydrophobicContact CZ-CG 3.98Å; F533-R537 PolarHBondContact O-N 2.63Å; F533-R537 VanDerWaalsContact O-N 3.14Å; S534-R537 WeakPolarHBondContact O-CB 3.34Å; S534-R537 PolarHBondContact O-N 2.82Å; S534-R537 VanDerWaalsContact O-N 3.09Å; H535-R537 VanDerWaalsContact C-N 3.29Å; H535-R537 PolarHBondContact O-N 2.89Å; R537-Q540 PolarHBondContact O-N 3.37Å; R537-A541 PolarHBondContact O-N 3.33Å
538E95.9Very high91.3Very high93 Ų9388.5 Ų88.544%0.43541%0.413SS..Hα-helixtrans-60-46.4176.8-70.7163.6-145.100111.3S534 H535 Q540 A541 L542S534-E538 WeakPolarHBondContact O-CG 3.45Å; S534-E538 PolarHBondContact O-N 3.11Å; S534-E538 PolarHBondContact OG-OE1 3.39Å; H535-E538 IonicContact CD2-OE2 2.87Å; H535-E538 PolarHBondContact O-N 3.46Å; E538-Q540 PolarHBondContact O-N 2.92Å; E538-A541 PolarHBondContact O-N 2.74Å; E538-L542 WeakPolarHBondContact O-CG 3Å; E538-L542 PolarHBondContact O-N 3.07Å
539Y94.6Very high90.9Very high132 Ų13291.5 Ų91.552%0.51842%0.424SS..Hα-helixtrans-61.2-43177.2-56.7-24.9000112H535 A541 L542 M543H535-Y539 HydrophobicContact CB-CE1 4.37Å; H535-Y539 HydrophobicContact CB-CE2 3.87Å; H535-Y539 WeakPolarHBondContact O-CD1 3.38Å; H535-Y539 WeakPolarHBondContact O-CD2 3.11Å; H535-Y539 PolarHBondContact O-N 2.96Å; Y539-A541 VanDerWaalsContact C-N 3.35Å; Y539-A541 PolarHBondContact O-N 3.35Å; Y539-L542 PolarHBondContact O-N 2.8Å; Y539-M543 WeakPolarHBondContact O-CG 3.49Å; Y539-M543 PolarHBondContact O-N 2.74Å
540Q91.1Very high90.5Very high58 Ų5896.5 Ų96.527%0.27145%0.447SS..Hα-helixtrans-61.8-41.9175.4-73.9176.4-7.700112Q536 R537 E538 M543 K544Q536-Q540 VanDerWaalsContact O-CG 3.32Å; Q536-Q540 WeakPolarHBondContact O-CG 3.31Å; Q536-Q540 PolarHBondContact O-N 3.1Å; Q536-Q540 VanDerWaalsContact O-N 3.1Å; R537-Q540 PolarHBondContact O-N 3.37Å; E538-Q540 PolarHBondContact O-N 2.92Å; Q540-M543 PolarHBondContact O-N 2.89Å; Q540-K544 WeakPolarHBondContact O-CG 2.99Å; Q540-K544 PolarHBondContact O-N 3.14Å
541A93.3Very high90Very high46 Ų4698.5 Ų98.538%0.3845%0.454SS..Hα-helixtrans-64.3-45.8178.400000111.9R537 E538 Y539 M543 K544 H545R537-A541 PolarHBondContact O-N 3.33Å; E538-A541 PolarHBondContact O-N 2.74Å; Y539-A541 VanDerWaalsContact C-N 3.35Å; Y539-A541 PolarHBondContact O-N 3.35Å; A541-M543 PolarHBondContact O-N 3.18Å; A541-K544 PolarHBondContact O-N 3.27Å; A541-K544 VanDerWaalsContact O-N 3.13Å; A541-H545 PolarHBondContact O-CD2 3.21Å; A541-H545 VanDerWaalsContact O-CD2 3.26Å
542L95.9Very high89.5Confident126 Ų12697.7 Ų97.766%0.6645%0.45SS*.Hα-helixtrans-56.8-37.4176.9-71.6171.1000112.3E538 Y539E538-L542 WeakPolarHBondContact O-CG 3Å; E538-L542 PolarHBondContact O-N 3.07Å; Y539-L542 PolarHBondContact O-N 2.8Å
543M94.1Very high88.9Confident121 Ų121104.1 Ų104.160%0.59648%0.479SS*.Hα-helixtrans-81.5-17.1-179.3-63.5-53.2-61.500114.4Y539 Q540 A541Y539-M543 WeakPolarHBondContact O-CG 3.49Å; Y539-M543 PolarHBondContact O-N 2.74Å; Q540-M543 PolarHBondContact O-N 2.89Å; A541-M543 PolarHBondContact O-N 3.18Å
544K86.6Confident88.3Confident171 Ų171108.3 Ų108.374%0.74350%0.499SS*.Hα-helixtrans-76.7-19.5177.5-81.2179.4-179.1-177.60113.6Q540 A541 R546Q540-K544 WeakPolarHBondContact O-CG 2.99Å; Q540-K544 PolarHBondContact O-N 3.14Å; A541-K544 PolarHBondContact O-N 3.27Å; A541-K544 VanDerWaalsContact O-N 3.13Å; K544-R546 PolarHBondContact O-N 2.8Å
545H65.6Low87.6Confident166 Ų166112.8 Ų112.877%0.76951%0.509SS*.  trans-79.862.1176.3-65.9-66.5000111.9A541A541-H545 PolarHBondContact O-CD2 3.21Å; A541-H545 VanDerWaalsContact O-CD2 3.26Å
546R51Low86.9Confident281 Ų281116.7 Ų116.7100%1.0653%0.526SS*.  trans-109.70171.2-81.5-170.5174.7-171.7-0.5112.1K544K544-R546 PolarHBondContact O-N 2.8Å

Retrieved 546 of 546 residues in 344.8 ms (Link to these results)

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