A0A077ZFP1_TRITR Loading...

MTS and WYL and Lipase GDSL 2 and HTH 11 domain c ontaining protein

AlphaFold DB , UniProt , Accession A0A077ZFP1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 774 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
1M54.2Low90.2Very high210 Ų21044.6 Ų44.6100%1.03421%0.214SC*.  0129.30-149.9-172.1-68.600106.7
2M77.9Confident90.5Very high112 Ų11242.1 Ų42.155%0.55220%0.202SC*.  trans-62.7136.7-179.9-73.7-172.3-71.800110.3G40M2-G40 WeakPolarHBondContact CA-O 3.48Å; M2-G40 WeakPolarHBondContact CB-O 3.42Å
3K88.2Confident91Very high88 Ų8838.8 Ų38.838%0.38319%0.187SC..EExtended strand (participates in β ladder)trans-65.4144.2173.4-73.6-173.2179.6-177.40109.4G40 Y41 S42 D69K3-G40 PolarHBondContact N-O 2.7Å; K3-G40 VanDerWaalsContact N-O 3.09Å; K3-Y41 HydrophobicContact CB-CD1 3.58Å; K3-Y41 HydrophobicContact CB-CE1 3.52Å; K3-Y41 HydrophobicContact CD-CE1 3.78Å; K3-Y41 HydrophobicContact CG-CE1 4.25Å; K3-Y41 CarbonylContact O-C 3.58Å; K3-Y41 WeakPolarHBondContact O-CA 3.45Å; K3-S42 PolarHBondContact O-N 3.02Å; K3-S42 PolarHBondContact O-OG 3.42Å; K3-D69 WeakPolarHBondContact CA-OD2 3.37Å; K3-D69 HydrophobicContact CB-CB 4.29Å; K3-D69 WeakPolarHBondContact CB-OD2 3.26Å
4K94.5Very high91.3Very high67 Ų6736.2 Ų36.229%0.29117%0.174SC..EExtended strand (participates in β ladder)trans-105128-176.1-68.4176.2-174.1168.90111.3S42 V44 A66 D69 F70K4-S42 CarbonylContact C-O 3.58Å; K4-S42 WeakPolarHBondContact CA-O 3.43Å; K4-V44 HydrophobicContact CB-CG2 4.44Å; K4-V44 HydrophobicContact CD-CG2 4.32Å; K4-V44 HydrophobicContact CG-CG2 4.44Å; K4-A66 WeakPolarHBondContact CD-O 3.32Å; K4-A66 PolarHBondContact NZ-O 3.32Å; K4-A66 VanDerWaalsContact NZ-O 3.13Å; K4-D69 PolarHBondContact N-OD2 2.62Å; K4-D69 PolarHBondContact O-N 3.23Å; K4-F70 PolarHBondContact O-N 3.31Å; K4-F70 VanDerWaalsContact O-N 3.15Å
5I96.9Very high91.5Very high0 Ų033.8 Ų33.80%016%0.163CC..EExtended strand (participates in β ladder)trans-106.2114.8168.7-58.8163.1000107.3L7 I29 L33 Y41 S42 L43 V44 F70 V72 I186I5-L7 HydrophobicContact CG2-CD2 4.02Å; I5-I29 HydrophobicContact CD1-CG2 4.21Å; I5-L33 HydrophobicContact CD1-CD1 3.57Å; I5-Y41 HydrophobicContact CD1-CD1 3.73Å; I5-Y41 HydrophobicContact CD1-CG 3.94Å; I5-Y41 HydrophobicContact CG1-CD1 3.9Å; I5-S42 PolarHBondContact N-O 3.19Å; I5-L43 HydrophobicContact CB-CD2 3.62Å; I5-L43 HydrophobicContact CD1-CD2 4.41Å; I5-L43 HydrophobicContact CG2-CD2 3.66Å; I5-L43 CarbonylContact O-C 3.59Å; I5-L43 WeakPolarHBondContact O-CA 3.24Å; I5-V44 PolarHBondContact O-N 2.76Å; I5-F70 HydrophobicContact CG1-CB 4.35Å; I5-F70 HydrophobicContact CG1-CD2 4.3Å; I5-F70 HydrophobicContact CG2-CB 4.49Å; I5-V72 HydrophobicContact CG2-CG2 4.21Å; I5-I186 HydrophobicContact CD1-CD1 3.61Å; I5-I186 HydrophobicContact CG1-CD1 3.98Å; I5-I186 HydrophobicContact CG2-CD1 4.13Å
6V97.8Very high91.6Very high0 Ų031.7 Ų31.70%015%0.153CC..EExtended strand (participates in β ladder)trans-91.7119.8179.2-179.30000108.9F8 V44 L46 A63 A66 F70 V71 V72V6-F8 HydrophobicContact CG1-CB 4.36Å; V6-V44 HydrophobicContact CG2-CB 4.15Å; V6-V44 HydrophobicContact CG2-CG2 4.47Å; V6-L46 HydrophobicContact CG1-CD1 3.79Å; V6-L46 HydrophobicContact CG1-CG 4.45Å; V6-A63 HydrophobicContact CG1-CB 4.17Å; V6-A66 HydrophobicContact CG1-CB 4.42Å; V6-A66 HydrophobicContact CG2-CB 3.74Å; V6-F70 PolarHBondContact N-O 2.94Å; V6-V71 HydrophobicContact CB-CG1 4.3Å; V6-V71 HydrophobicContact CB-CG2 4.28Å; V6-V71 HydrophobicContact CG1-CG1 4.41Å; V6-V71 WeakPolarHBondContact O-CA 3.46Å; V6-V72 PolarHBondContact O-N 3.25Å
7L97.9Very high91.8Very high0 Ų032.2 Ų32.20%016%0.156CC..EExtended strand (participates in β ladder)trans-96.996.1174.8-57.6-172.9000109.2I5 L13 L25 I29 L43 V44 L46 G47 V72I5-L7 HydrophobicContact CG2-CD2 4.02Å; L7-L13 HydrophobicContact CB-CB 4.27Å; L7-L13 HydrophobicContact CB-CD1 4.46Å; L7-L25 HydrophobicContact CD1-CD2 4.26Å; L7-I29 HydrophobicContact CD1-CD1 4.19Å; L7-I29 HydrophobicContact CD2-CD1 4.05Å; L7-L43 HydrophobicContact CD1-CD2 3.95Å; L7-L43 HydrophobicContact CD2-CD2 4.02Å; L7-L43 HydrophobicContact CG-CD2 3.82Å; L7-V44 PolarHBondContact N-O 3.13Å; L7-L46 CarbonylContact O-C 3.48Å; L7-L46 VanDerWaalsContact O-CA 3.24Å; L7-L46 WeakPolarHBondContact O-CA 3.45Å; L7-L46 PolarHBondContact O-N 2.9Å; L7-G47 PolarHBondContact O-N 3.46Å; L7-V72 HydrophobicContact CD2-CB 3.89Å; L7-V72 HydrophobicContact CD2-CG2 3.89Å
8F98.1Very high91.7Very high0 Ų036.5 Ų36.50%018%0.179CC..EExtended strand (participates in β ladder)trans-109106.4-174.2-176.7-114.8000111.9V6 L13 L46 G56 R59 V60 A63 V71 V72 I73 S74 F75 I97V6-F8 HydrophobicContact CG1-CB 4.36Å; F8-L13 WeakPolarHBondContact O-CD1 3.43Å; F8-L46 HydrophobicContact CD2-CB 3.93Å; F8-L46 HydrophobicContact CD2-CD1 4.45Å; F8-G56 VanDerWaalsContact CZ-O 3.3Å; F8-G56 WeakPolarHBondContact CZ-O 3.32Å; F8-R59 HydrophobicContact CE2-CG 4.08Å; F8-R59 HydrophobicContact CZ-CG 4.25Å; F8-V60 HydrophobicContact CE1-CG2 4.34Å; F8-V60 HydrophobicContact CZ-CB 4.28Å; F8-V60 HydrophobicContact CZ-CG2 4.45Å; F8-A63 HydrophobicContact CB-CB 4.11Å; F8-A63 HydrophobicContact CD1-CB 4.32Å; F8-A63 HydrophobicContact CD2-CB 3.48Å; F8-A63 VanDerWaalsContact CD2-CB 3.48Å; F8-A63 HydrophobicContact CE2-CB 3.83Å; F8-A63 HydrophobicContact CG-CB 3.72Å; F8-A63 HydrophobicContact CZ-CB 4.41Å; F8-V71 HydrophobicContact CB-CG1 4.46Å; F8-V72 PolarHBondContact N-O 3.29Å; F8-I73 VanDerWaalsContact O-CA 3.29Å; F8-I73 WeakPolarHBondContact O-CA 3.38Å; F8-S74 PolarHBondContact O-N 2.89Å; F8-S74 VanDerWaalsContact O-N 3.08Å; F8-F75 AromaticContact CD1-CE2 3.86Å; F8-F75 HydrophobicContact CD1-CE2 3.86Å; F8-F75 HydrophobicContact CD1-CZ 4.24Å; F8-F75 AromaticContact CE1-CE2 3.74Å; F8-F75 HydrophobicContact CE1-CE2 3.74Å; F8-F75 AromaticContact CE1-CZ 3.96Å; F8-F75 HydrophobicContact CE1-CZ 3.96Å; F8-F75 HydrophobicContact CZ-CE2 4.48Å; F8-F75 HydrophobicContact CZ-CZ 4.27Å; F8-I97 HydrophobicContact CD1-CG2 4.1Å; F8-I97 HydrophobicContact CE1-CD1 4.46Å; F8-I97 HydrophobicContact CE1-CG2 3.73Å
9G97.1Very high91.4Very high0 Ų035.6 Ų35.60%018%0.18CC..EExtended strand (participates in β ladder)trans-177.6-158-175.700000115.8L46 G47 K48 R59 S74 F75G9-L46 PolarHBondContact N-O 2.81Å; G9-G47 CarbonylContact O-C 3.59Å; G9-G47 VanDerWaalsContact O-CA 3.29Å; G9-G47 WeakPolarHBondContact O-CA 3.36Å; G9-K48 PolarHBondContact O-N 3.47Å; G9-R59 PolarHBondContact O-NH2 2.79Å; G9-S74 CarbonylContact C-O 3.58Å; G9-S74 WeakPolarHBondContact CA-O 3.5Å; G9-F75 VanDerWaalsContact CA-CZ 3.48Å
10D94.7Very high91.4Very high3 Ų341.2 Ų41.22%0.01621%0.206CC..SBendtrans-90.1-153.1179.469.79.1000113.1L12 L13 A14 K48 E51 S74 F75D10-L12 PolarHBondContact O-N 3.24Å; D10-L12 WeakPolarHBondContact OD1-CB 3.12Å; D10-L12 PolarHBondContact OD1-N 2.91Å; D10-L13 PolarHBondContact O-N 2.77Å; D10-A14 PolarHBondContact O-N 2.75Å; D10-A14 VanDerWaalsContact O-N 3.11Å; D10-K48 CarbonylContact C-O 3.57Å; D10-K48 VanDerWaalsContact C-O 3.27Å; D10-K48 VanDerWaalsContact CA-O 3.26Å; D10-K48 WeakPolarHBondContact CA-O 3.48Å; D10-E51 WeakPolarHBondContact CB-O 3.29Å; D10-S74 PolarHBondContact N-O 3.44Å; D10-F75 HydrophobicContact CB-CD1 4.24Å
11S94.8Very high91.4Very high11 Ų1143.6 Ų43.68%0.07722%0.223CC..THydrogen-bonded Turntrans-55.8-27.7177.3-55.20000113.8A14 G15 K48 R49 G50 H169S11-A14 PolarHBondContact O-N 2.81Å; S11-G15 PolarHBondContact O-N 3.25Å; S11-K48 PolarHBondContact N-O 3.47Å; S11-R49 WeakPolarHBondContact OG-CA 3.23Å; S11-G50 PolarHBondContact OG-N 2.95Å; S11-H169 WeakPolarHBondContact CB-NE2 3.37Å
12L94.5Very high93.2Very high14 Ų1435.5 Ų35.57%0.07319%0.187CC..THydrogen-bonded Turntrans-63.3-51.9-178.2-177.857.4000110.6D10 A14 G15 L109 L148 P170 Y175 L178D10-L12 PolarHBondContact O-N 3.24Å; D10-L12 WeakPolarHBondContact OD1-CB 3.12Å; D10-L12 PolarHBondContact OD1-N 2.91Å; L12-A14 VanDerWaalsContact C-N 3.33Å; L12-G15 PolarHBondContact O-N 3.23Å; L12-L109 HydrophobicContact CD2-CD2 3.51Å; L12-L109 HydrophobicContact CD2-CG 4.34Å; L12-L109 HydrophobicContact CG-CD2 4.26Å; L12-L148 HydrophobicContact CD2-CD2 3.63Å; L12-P170 HydrophobicContact CD1-CG 3.26Å; L12-Y175 HydrophobicContact CD1-CE1 4.42Å; L12-Y175 WeakPolarHBondContact O-CE1 3.37Å; L12-Y175 PolarHBondContact O-OH 3.03Å; L12-L178 HydrophobicContact CD1-CD2 3.79Å; L12-L178 HydrophobicContact CD2-CD2 4.35Å; L12-L178 HydrophobicContact CG-CD2 3.98Å
13L96.6Very high94Very high0 Ų035.3 Ų35.30%019%0.188CC..THydrogen-bonded Turntrans-79.8-14178.9-64.5-174.2000113.4L7 F8 D10 G15 L25 V72 L109L7-L13 HydrophobicContact CB-CB 4.27Å; L7-L13 HydrophobicContact CB-CD1 4.46Å; F8-L13 WeakPolarHBondContact O-CD1 3.43Å; D10-L13 PolarHBondContact O-N 2.77Å; L13-G15 PolarHBondContact O-N 3.34Å; L13-L25 HydrophobicContact CD2-CD2 3.81Å; L13-V72 HydrophobicContact CD1-CG1 4.2Å; L13-V72 WeakPolarHBondContact CD1-O 3.4Å; L13-V72 HydrophobicContact CD2-CG1 4.23Å; L13-L109 HydrophobicContact CD2-CD2 4.23Å
14A95.1Very high94.3Very high2 Ų232.1 Ų32.12%0.01718%0.175CC..THydrogen-bonded Turntrans-71.4-15.1168.300000112.8D10 S11 L12 V16 K45 G47 R49D10-A14 PolarHBondContact O-N 2.75Å; D10-A14 VanDerWaalsContact O-N 3.11Å; S11-A14 PolarHBondContact O-N 2.81Å; L12-A14 VanDerWaalsContact C-N 3.33Å; A14-V16 HydrophobicContact CB-CG2 4.46Å; A14-K45 VanDerWaalsContact C-CE 3.47Å; A14-K45 WeakPolarHBondContact O-CE 3.37Å; A14-K45 PolarHBondContact O-NZ 2.96Å; A14-G47 WeakPolarHBondContact CB-O 3.49Å; A14-R49 HydrophobicContact CB-CG 4.4Å
15G93.9Very high94.3Very high0 Ų029 Ų290%016%0.161CC..  trans62.887.4-174.900000111.2S11 L12 L13 T21 S22 Y175S11-G15 PolarHBondContact O-N 3.25Å; L12-G15 PolarHBondContact O-N 3.23Å; L13-G15 PolarHBondContact O-N 3.34Å; G15-T21 CarbonylContact O-C 3.27Å; G15-T21 WeakPolarHBondContact O-CA 3.48Å; G15-S22 WeakPolarHBondContact O-CA 3.28Å; G15-S22 PolarHBondContact O-N 3.24Å; G15-S22 VanDerWaalsContact O-O 3.14Å; G15-Y175 WeakPolarHBondContact CA-OH 3.28Å
16V94.1Very high94.2Very high0 Ų030 Ų300%017%0.167CC..EExtended strand (participates in β ladder)trans-107.6116.3-177.6176.10000110.1A14 E20 R49 Q163 Y175A14-V16 HydrophobicContact CB-CG2 4.46Å; V16-E20 CarbonylContact C-O 3.59Å; V16-E20 VanDerWaalsContact CA-O 3.27Å; V16-E20 WeakPolarHBondContact CA-O 3.46Å; V16-R49 HydrophobicContact CG2-CG 3.91Å; V16-Q163 PolarHBondContact O-NE2 3.29Å; V16-Y175 PolarHBondContact N-OH 3.32Å
17M93.9Very high94Very high41 Ų4136 Ų3620%0.20219%0.193CC..EExtended strand (participates in β ladder)trans-118.2126.7174.3-72.1-62.6-70.900109.7G19 E20 I24 D172 Y175M17-G19 PolarHBondContact O-N 2.8Å; M17-G19 VanDerWaalsContact O-N 3.09Å; M17-E20 PolarHBondContact N-O 2.97Å; M17-E20 PolarHBondContact O-N 2.73Å; M17-I24 HydrophobicContact CE-CD1 4.03Å; M17-I24 HydrophobicContact CG-CB 4.42Å; M17-I24 HydrophobicContact CG-CD1 3.86Å; M17-I24 HydrophobicContact CG-CG2 3.86Å; M17-I24 HydrophobicContact SD-CD1 3.84Å; M17-D172 HydrophobicContact CE-CB 4.5Å; M17-Y175 HydrophobicContact CG-CD2 4.4Å; M17-Y175 HydrophobicContact CG-CE2 4.28Å; M17-Y175 HydrophobicContact SD-CD2 3.73Å; M17-Y175 HydrophobicContact SD-CE2 3.82Å
18N90.4Very high93.8Very high109 Ų10937.9 Ų37.958%0.58320%0.2SC*.THydrogen-bonded Turntrans50.135.2180-60-49.4000113.9
19G87Confident93.7Very high19 Ų1937.9 Ų37.920%0.19620%0.2CC..THydrogen-bonded Turntrans85.20.5178.600000115.7M17 R49M17-G19 PolarHBondContact O-N 2.8Å; M17-G19 VanDerWaalsContact O-N 3.09Å; G19-R49 PolarHBondContact O-NH1 2.78Å; G19-R49 PolarHBondContact O-NH2 3.25Å
20E91.4Very high93.5Very high147 Ų14740.4 Ų40.469%0.68721%0.214SC*.EExtended strand (participates in β ladder)trans-114.6150.4176.9-62.6-172.5168.100111.2V16 M17V16-E20 CarbonylContact C-O 3.59Å; V16-E20 VanDerWaalsContact CA-O 3.27Å; V16-E20 WeakPolarHBondContact CA-O 3.46Å; M17-E20 PolarHBondContact N-O 2.97Å; M17-E20 PolarHBondContact O-N 2.73Å
21T91.4Very high93.1Very high93 Ų9343.4 Ų43.457%0.57123%0.23SC*.EExtended strand (participates in β ladder)trans-70.6144.317348.20000110.5G15 R49G15-T21 CarbonylContact O-C 3.27Å; G15-T21 WeakPolarHBondContact O-CA 3.48Å; T21-R49 HydrophobicContact CG2-CG 4.12Å
22S92.3Very high92.6Very high40 Ų4044 Ų4428%0.2823%0.231SC..  trans-150.6150.2-169177.70000109.7G15 I24 K45G15-S22 WeakPolarHBondContact O-CA 3.28Å; G15-S22 PolarHBondContact O-N 3.24Å; G15-S22 VanDerWaalsContact O-O 3.14Å; S22-I24 PolarHBondContact O-N 3.5Å; S22-I24 PolarHBondContact OG-N 3.41Å; S22-K45 PolarHBondContact O-NZ 2.69Å
23D93.1Very high92Very high107 Ų10743.4 Ų43.457%0.57223%0.228SC*.SBendtrans-92.222.2177.2-56.1-30.8000112.4L25 D26 K27 K45D23-L25 PolarHBondContact O-N 2.76Å; D23-D26 HydrophobicContact CB-CB 4.19Å; D23-D26 WeakPolarHBondContact O-CB 3.49Å; D23-D26 PolarHBondContact O-N 2.78Å; D23-K27 PolarHBondContact O-N 2.96Å; D23-K45 IonicContact OD1-NZ 3.72Å; D23-K45 PolarHBondContact OD1-NZ 3.02Å
24I94.1Very high91.3Very high22 Ų2247.2 Ų47.211%0.11325%0.251CS..Hα-helixtrans-58.5-45.5-179.1-171.5169000112.7M17 S22 D26 Y28 D172 Y175M17-I24 HydrophobicContact CE-CD1 4.03Å; M17-I24 HydrophobicContact CG-CB 4.42Å; M17-I24 HydrophobicContact CG-CD1 3.86Å; M17-I24 HydrophobicContact CG-CG2 3.86Å; M17-I24 HydrophobicContact SD-CD1 3.84Å; S22-I24 PolarHBondContact O-N 3.5Å; S22-I24 PolarHBondContact OG-N 3.41Å; I24-D26 VanDerWaalsContact C-N 3.34Å; I24-Y28 HydrophobicContact CD1-CE2 4.1Å; I24-Y28 HydrophobicContact CG1-CD2 3.92Å; I24-Y28 HydrophobicContact CG1-CE2 3.53Å; I24-Y28 WeakPolarHBondContact O-CD2 3.17Å; I24-Y28 PolarHBondContact O-N 3.13Å; I24-D172 HydrophobicContact CD1-CB 4.38Å; I24-D172 WeakPolarHBondContact CD1-OD1 3.47Å; I24-Y175 HydrophobicContact CD1-CD2 4.07Å; I24-Y175 HydrophobicContact CD1-CG 4.42Å; I24-Y175 HydrophobicContact CG1-CD2 4.45Å; I24-Y175 HydrophobicContact CG1-CG 4.4Å; I24-Y175 HydrophobicContact CG2-CD1 4.18Å; I24-Y175 HydrophobicContact CG2-CD2 3.52Å; I24-Y175 HydrophobicContact CG2-CE1 4.49Å; I24-Y175 HydrophobicContact CG2-CE2 3.88Å; I24-Y175 HydrophobicContact CG2-CG 3.7Å
25L95.5Very high90.1Very high0 Ų051.9 Ų51.90%027%0.273CS..Hα-helixtrans-66.1-42.2177.9178.257.9000110.4L7 L13 D23 K27 Y28 I29 Y175 L178 I182L7-L25 HydrophobicContact CD1-CD2 4.26Å; L13-L25 HydrophobicContact CD2-CD2 3.81Å; D23-L25 PolarHBondContact O-N 2.76Å; L25-K27 VanDerWaalsContact C-N 3.32Å; L25-K27 PolarHBondContact O-N 2.78Å; L25-Y28 PolarHBondContact O-N 3.18Å; L25-I29 HydrophobicContact CD1-CD1 3.91Å; L25-I29 HydrophobicContact CD1-CG1 4.07Å; L25-I29 HydrophobicContact CD2-CD1 4.49Å; L25-I29 HydrophobicContact CG-CD1 3.83Å; L25-I29 HydrophobicContact CG-CG1 4.41Å; L25-I29 WeakPolarHBondContact O-CG1 3.49Å; L25-I29 PolarHBondContact O-N 3.36Å; L25-Y175 HydrophobicContact CB-CD1 3.77Å; L25-Y175 HydrophobicContact CB-CE1 4.09Å; L25-Y175 HydrophobicContact CD1-CD1 4.18Å; L25-Y175 HydrophobicContact CD2-CE1 4.47Å; L25-Y175 HydrophobicContact CG-CD1 4.38Å; L25-L178 HydrophobicContact CD1-CB 4.3Å; L25-L178 HydrophobicContact CD1-CD2 4Å; L25-L178 HydrophobicContact CD1-CG 3.9Å; L25-L178 HydrophobicContact CD2-CD2 4.2Å; L25-I182 HydrophobicContact CD1-CD1 4.38Å
26D94.8Very high88.9Confident21 Ų2154.3 Ų54.311%0.11229%0.285CS..Hα-helixtrans-57.2-48.3-179.6-52.348.8000110.6D23 I24 I29 L30 L43 K45D23-D26 HydrophobicContact CB-CB 4.19Å; D23-D26 WeakPolarHBondContact O-CB 3.49Å; D23-D26 PolarHBondContact O-N 2.78Å; I24-D26 VanDerWaalsContact C-N 3.34Å; D26-I29 PolarHBondContact O-N 3.05Å; D26-L30 WeakPolarHBondContact O-CG 3.25Å; D26-L30 PolarHBondContact O-N 3.49Å; D26-L30 VanDerWaalsContact O-N 3.16Å; D26-L43 HydrophobicContact CB-CD1 3.49Å; D26-L43 VanDerWaalsContact CB-CD1 3.49Å; D26-L43 WeakPolarHBondContact O-CD1 3.19Å; D26-K45 IonicContact OD1-NZ 2.97Å; D26-K45 PolarHBondContact OD1-NZ 3.48Å; D26-K45 IonicContact OD2-NZ 3.14Å
27K93.4Very high87.6Confident127 Ų12757 Ų5755%0.55231%0.313SS*.Hα-helixtrans-57.9-51175.8-176.2-177.5174.1-173.40111.6D23 L25 I29 L30 D31D23-K27 PolarHBondContact O-N 2.96Å; L25-K27 VanDerWaalsContact C-N 3.32Å; L25-K27 PolarHBondContact O-N 2.78Å; K27-I29 PolarHBondContact O-N 3.48Å; K27-L30 PolarHBondContact O-N 2.73Å; K27-D31 WeakPolarHBondContact CE-OD2 3.36Å; K27-D31 WeakPolarHBondContact CG-OD2 3.16Å; K27-D31 VanDerWaalsContact O-CB 3.3Å; K27-D31 WeakPolarHBondContact O-CB 3.4Å; K27-D31 PolarHBondContact O-N 2.97Å
28Y94.4Very high86.6Confident40 Ų4057.5 Ų57.516%0.15731%0.314CS..Hα-helixtrans-64.9-36.3-177.2-73.1-54.7000113.5I24 L25 E32 D172 H176I24-Y28 HydrophobicContact CD1-CE2 4.1Å; I24-Y28 HydrophobicContact CG1-CD2 3.92Å; I24-Y28 HydrophobicContact CG1-CE2 3.53Å; I24-Y28 WeakPolarHBondContact O-CD2 3.17Å; I24-Y28 PolarHBondContact O-N 3.13Å; L25-Y28 PolarHBondContact O-N 3.18Å; Y28-E32 VanDerWaalsContact O-CB 3.26Å; Y28-E32 WeakPolarHBondContact O-CB 3.38Å; Y28-E32 WeakPolarHBondContact O-CG 3.42Å; Y28-E32 PolarHBondContact O-N 3.46Å; Y28-D172 VanDerWaalsContact OH-CG 3.26Å; Y28-D172 PolarHBondContact OH-OD1 3.13Å; Y28-D172 PolarHBondContact OH-OD2 3.09Å; Y28-H176 HydrophobicContact CD1-CB 3.92Å; Y28-H176 AromaticContact CD1-CD2 3.46Å; Y28-H176 VanDerWaalsContact CD1-CD2 3.46Å; Y28-H176 WeakPolarHBondContact CD1-CD2 3.41Å; Y28-H176 AromaticContact CD1-CG 3.85Å; Y28-H176 VanDerWaalsContact CD2-CA 3.48Å; Y28-H176 HydrophobicContact CD2-CB 4.03Å; Y28-H176 HydrophobicContact CE1-CB 3.74Å; Y28-H176 AromaticContact CE1-CD2 3.8Å; Y28-H176 AromaticContact CE1-CG 3.77Å; Y28-H176 HydrophobicContact CE2-CB 3.84Å; Y28-H176 HydrophobicContact CG-CB 4.08Å
29I94.3Very high86.1Confident0 Ų056.4 Ų56.40%031%0.313CS..Hα-helixtrans-64.2-47.8175.6-66.8167.8000110.5I5 L7 L25 D26 K27 L33 L43 I182I5-I29 HydrophobicContact CD1-CG2 4.21Å; L7-I29 HydrophobicContact CD1-CD1 4.19Å; L7-I29 HydrophobicContact CD2-CD1 4.05Å; L25-I29 HydrophobicContact CD1-CD1 3.91Å; L25-I29 HydrophobicContact CD1-CG1 4.07Å; L25-I29 HydrophobicContact CD2-CD1 4.49Å; L25-I29 HydrophobicContact CG-CD1 3.83Å; L25-I29 HydrophobicContact CG-CG1 4.41Å; L25-I29 WeakPolarHBondContact O-CG1 3.49Å; L25-I29 PolarHBondContact O-N 3.36Å; D26-I29 PolarHBondContact O-N 3.05Å; K27-I29 PolarHBondContact O-N 3.48Å; I29-L33 HydrophobicContact CG2-CD1 3.91Å; I29-L33 WeakPolarHBondContact O-CB 3.25Å; I29-L33 WeakPolarHBondContact O-CG 3.05Å; I29-L33 PolarHBondContact O-N 3.36Å; I29-L43 HydrophobicContact CD1-CD2 4.41Å; I29-I182 HydrophobicContact CD1-CB 4.39Å; I29-I182 HydrophobicContact CD1-CD1 3.93Å; I29-I182 HydrophobicContact CD1-CG2 4.04Å; I29-I182 HydrophobicContact CG1-CB 4.31Å; I29-I182 HydrophobicContact CG1-CD1 4.47Å; I29-I182 HydrophobicContact CG1-CG2 4.24Å; I29-I182 HydrophobicContact CG2-CG2 4.42Å
30L93.5Very high85.9Confident53 Ų5357.6 Ų57.628%0.27733%0.325SS..Hα-helixtrans-68.9-41.9-177.2-65.6176.7000112D26 K27 L33 T34 L43D26-L30 WeakPolarHBondContact O-CG 3.25Å; D26-L30 PolarHBondContact O-N 3.49Å; D26-L30 VanDerWaalsContact O-N 3.16Å; K27-L30 PolarHBondContact O-N 2.73Å; L30-L33 PolarHBondContact O-N 2.82Å; L30-T34 VanDerWaalsContact O-CB 3.3Å; L30-T34 WeakPolarHBondContact O-CB 3.38Å; L30-T34 PolarHBondContact O-N 2.91Å; L30-T34 PolarHBondContact O-OG1 3.4Å; L30-L43 HydrophobicContact CD1-CD1 3.98Å; L30-L43 HydrophobicContact CD2-CD1 4.17Å; L30-L43 HydrophobicContact CD2-CG 4.3Å; L30-L43 HydrophobicContact CG-CD1 3.78Å; L30-L43 HydrophobicContact CG-CG 4.43Å
31D87.4Confident85.9Confident66 Ų6651.8 Ų51.835%0.35330%0.297SS..Hα-helixtrans-61.6-47.7177.3-72.2-5000110.2K27 T34 E35K27-D31 WeakPolarHBondContact CE-OD2 3.36Å; K27-D31 WeakPolarHBondContact CG-OD2 3.16Å; K27-D31 VanDerWaalsContact O-CB 3.3Å; K27-D31 WeakPolarHBondContact O-CB 3.4Å; K27-D31 PolarHBondContact O-N 2.97Å; D31-T34 PolarHBondContact O-N 2.92Å; D31-E35 WeakPolarHBondContact O-CB 3.4Å; D31-E35 WeakPolarHBondContact O-CG 3.05Å; D31-E35 PolarHBondContact O-N 2.97Å
32E84.2Confident86Confident24 Ų2448.9 Ų48.911%0.11228%0.28CS..Hα-helixtrans-67.1-40.5179.8-70.6-72.5156.100112.4Y28 T34 E35 M36 H176 A180 A183 R555Y28-E32 VanDerWaalsContact O-CB 3.26Å; Y28-E32 WeakPolarHBondContact O-CB 3.38Å; Y28-E32 WeakPolarHBondContact O-CG 3.42Å; Y28-E32 PolarHBondContact O-N 3.46Å; E32-T34 VanDerWaalsContact C-N 3.34Å; E32-E35 PolarHBondContact O-N 2.79Å; E32-M36 HydrophobicContact CB-CE 3.84Å; E32-M36 WeakPolarHBondContact O-CB 3.07Å; E32-M36 VanDerWaalsContact O-CE 3.29Å; E32-M36 WeakPolarHBondContact O-CE 3.44Å; E32-M36 VanDerWaalsContact O-CG 3.26Å; E32-M36 WeakPolarHBondContact O-CG 3.38Å; E32-M36 PolarHBondContact O-N 3.35Å; E32-H176 IonicContact OE1-CD2 3.33Å; E32-H176 IonicContact OE1-CE1 2.68Å; E32-H176 IonicContact OE1-NE2 3.49Å; E32-H176 PolarHBondContact OE1-NE2 2.94Å; E32-A180 HydrophobicContact CG-CB 4.13Å; E32-A183 HydrophobicContact CB-CB 3.75Å; E32-R555 IonicContact OE1-NH2 2.66Å
33L81.9Confident86.1Confident1 Ų148.7 Ų48.71%0.00528%0.276CS..Hα-helixtrans-62.1-42.8173.8-78.2172.5000111.7I5 I29 L30 M36 G37 F38 Y41 A183 I186I5-L33 HydrophobicContact CD1-CD1 3.57Å; I29-L33 HydrophobicContact CG2-CD1 3.91Å; I29-L33 WeakPolarHBondContact O-CB 3.25Å; I29-L33 WeakPolarHBondContact O-CG 3.05Å; I29-L33 PolarHBondContact O-N 3.36Å; L30-L33 PolarHBondContact O-N 2.82Å; L33-M36 PolarHBondContact O-N 3.25Å; L33-G37 PolarHBondContact O-N 3.38Å; L33-F38 CarbonylContact C-O 3.54Å; L33-F38 HydrophobicContact CD2-CB 4.37Å; L33-F38 CarbonylContact O-C 3.52Å; L33-F38 WeakPolarHBondContact O-CA 3.38Å; L33-F38 PolarHBondContact O-N 2.86Å; L33-Y41 HydrophobicContact CD1-CD2 3.97Å; L33-Y41 HydrophobicContact CD1-CG 4.06Å; L33-A183 HydrophobicContact CD2-CB 3.95Å; L33-A183 HydrophobicContact CG-CB 3.78Å; L33-I186 HydrophobicContact CD1-CD1 4.42Å; L33-I186 HydrophobicContact CD2-CB 4.29Å; L33-I186 HydrophobicContact CD2-CG2 4.02Å
34T80.9Confident86.2Confident79 Ų7945.5 Ų45.549%0.48526%0.26SS..Hα-helixtrans-64.2-48.1177.8-57.60000110.9L30 D31 E32 M36 G37L30-T34 VanDerWaalsContact O-CB 3.3Å; L30-T34 WeakPolarHBondContact O-CB 3.38Å; L30-T34 PolarHBondContact O-N 2.91Å; L30-T34 PolarHBondContact O-OG1 3.4Å; D31-T34 PolarHBondContact O-N 2.92Å; E32-T34 VanDerWaalsContact C-N 3.34Å; T34-M36 PolarHBondContact O-N 3.41Å; T34-G37 PolarHBondContact O-N 2.88Å
35E70.7Confident86.3Confident101 Ų10147.5 Ų47.547%0.47227%0.268SS..Hα-helixtrans-61-29175.7-75.6-173.4174.800112.2D31 E32 G37 R555 K598D31-E35 WeakPolarHBondContact O-CB 3.4Å; D31-E35 WeakPolarHBondContact O-CG 3.05Å; D31-E35 PolarHBondContact O-N 2.97Å; E32-E35 PolarHBondContact O-N 2.79Å; E35-G37 VanDerWaalsContact C-N 3.29Å; E35-G37 PolarHBondContact O-N 3.41Å; E35-R555 IonicContact OE1-CZ 3.49Å; E35-R555 IonicContact OE1-NH1 2.8Å; E35-R555 PolarHBondContact OE1-NH1 3.5Å; E35-R555 IonicContact OE1-NH2 3.55Å; E35-R555 PolarHBondContact OE1-NH2 3.24Å; E35-R555 IonicContact OE2-CZ 3.93Å; E35-R555 IonicContact OE2-NH2 3.53Å; E35-R555 PolarHBondContact OE2-NH2 2.93Å; E35-K598 IonicContact OE1-NZ 3.03Å
36M68Low86.3Confident51 Ų5148.8 Ų48.825%0.25128%0.275SS..THydrogen-bonded Turntrans-81.61.3175.1-75.3-172.4-104.200114.7E32 L33 T34 F38 A183 K187E32-M36 HydrophobicContact CB-CE 3.84Å; E32-M36 WeakPolarHBondContact O-CB 3.07Å; E32-M36 VanDerWaalsContact O-CE 3.29Å; E32-M36 WeakPolarHBondContact O-CE 3.44Å; E32-M36 VanDerWaalsContact O-CG 3.26Å; E32-M36 WeakPolarHBondContact O-CG 3.38Å; E32-M36 PolarHBondContact O-N 3.35Å; L33-M36 PolarHBondContact O-N 3.25Å; T34-M36 PolarHBondContact O-N 3.41Å; M36-F38 HydrophobicContact CB-CD2 4.14Å; M36-F38 VanDerWaalsContact O-CD2 3.28Å; M36-F38 WeakPolarHBondContact O-CD2 3.48Å; M36-F38 WeakPolarHBondContact O-CE2 3.36Å; M36-A183 HydrophobicContact CE-CB 3.5Å; M36-A183 VanDerWaalsContact CE-CB 3.5Å; M36-K187 HydrophobicContact CB-CD 4.43Å; M36-K187 HydrophobicContact SD-CD 3.79Å
37G66.9Low86.3Confident57 Ų5748.5 Ų48.559%0.58828%0.277SS*.THydrogen-bonded Turntrans85.117.5-18000000114.6L33 T34 E35 P39L33-G37 PolarHBondContact O-N 3.38Å; T34-G37 PolarHBondContact O-N 2.88Å; E35-G37 VanDerWaalsContact C-N 3.29Å; E35-G37 PolarHBondContact O-N 3.41Å; G37-P39 WeakPolarHBondContact O-CD 3.27Å
38F72.8Confident86.4Confident51 Ų5146.1 Ų46.122%0.22427%0.267CS..  trans-119.366.4178.4-63.5-88.3000111L33 M36 Y41 K187 L190L33-F38 CarbonylContact C-O 3.54Å; L33-F38 HydrophobicContact CD2-CB 4.37Å; L33-F38 CarbonylContact O-C 3.52Å; L33-F38 WeakPolarHBondContact O-CA 3.38Å; L33-F38 PolarHBondContact O-N 2.86Å; M36-F38 HydrophobicContact CB-CD2 4.14Å; M36-F38 VanDerWaalsContact O-CD2 3.28Å; M36-F38 WeakPolarHBondContact O-CD2 3.48Å; M36-F38 WeakPolarHBondContact O-CE2 3.36Å; F38-Y41 HydrophobicContact CB-CE2 4.01Å; F38-Y41 WeakPolarHBondContact O-CD2 3.48Å; F38-Y41 WeakPolarHBondContact O-CE2 3.19Å; F38-K187 HydrophobicContact CD2-CD 4.4Å; F38-K187 HydrophobicContact CD2-CG 4.33Å; F38-K187 HydrophobicContact CE2-CB 4.31Å; F38-K187 HydrophobicContact CE2-CD 3.8Å; F38-K187 HydrophobicContact CE2-CG 3.67Å; F38-K187 HydrophobicContact CZ-CG 4.08Å; F38-L190 HydrophobicContact CD1-CD1 3.73Å; F38-L190 HydrophobicContact CE1-CB 4.4Å; F38-L190 HydrophobicContact CE1-CD1 4.08Å; F38-L190 HydrophobicContact CG-CD1 4.35Å
39P80.2Confident86.3Confident86 Ų8650.5 Ų50.556%0.55828%0.283SS*.  trans-72.1178173.733.7-36.7000111.6G37 Y41G37-P39 WeakPolarHBondContact O-CD 3.27Å; P39-Y41 WeakPolarHBondContact O-CE2 3.45Å
40G82.4Confident86.2Confident44 Ų4451.5 Ų51.545%0.45429%0.293SS..  trans89.525.6169.100000115.6M2 K3M2-G40 WeakPolarHBondContact CA-O 3.48Å; M2-G40 WeakPolarHBondContact CB-O 3.42Å; K3-G40 PolarHBondContact N-O 2.7Å; K3-G40 VanDerWaalsContact N-O 3.09Å
41Y90.8Very high86.3Confident24 Ų2450.4 Ų50.49%0.09429%0.286CS..EExtended strand (participates in β ladder)trans-103.4148.8175.8-65.5-90.1000111.9K3 I5 L33 F38 P39 F70 L190K3-Y41 HydrophobicContact CB-CD1 3.58Å; K3-Y41 HydrophobicContact CB-CE1 3.52Å; K3-Y41 HydrophobicContact CD-CE1 3.78Å; K3-Y41 HydrophobicContact CG-CE1 4.25Å; K3-Y41 CarbonylContact O-C 3.58Å; K3-Y41 WeakPolarHBondContact O-CA 3.45Å; I5-Y41 HydrophobicContact CD1-CD1 3.73Å; I5-Y41 HydrophobicContact CD1-CG 3.94Å; I5-Y41 HydrophobicContact CG1-CD1 3.9Å; L33-Y41 HydrophobicContact CD1-CD2 3.97Å; L33-Y41 HydrophobicContact CD1-CG 4.06Å; F38-Y41 HydrophobicContact CB-CE2 4.01Å; F38-Y41 WeakPolarHBondContact O-CD2 3.48Å; F38-Y41 WeakPolarHBondContact O-CE2 3.19Å; P39-Y41 WeakPolarHBondContact O-CE2 3.45Å; Y41-F70 HydrophobicContact CE1-CD2 4.36Å; Y41-F70 HydrophobicContact CE1-CE2 4.05Å; Y41-L190 WeakPolarHBondContact OH-CD1 3.43Å
42S93.5Very high86.8Confident33 Ų3347.6 Ų47.623%0.23127%0.272CS..EExtended strand (participates in β ladder)trans-123.3147169.760.70000109.2K3 K4 I5K3-S42 PolarHBondContact O-N 3.02Å; K3-S42 PolarHBondContact O-OG 3.42Å; K4-S42 CarbonylContact C-O 3.58Å; K4-S42 WeakPolarHBondContact CA-O 3.43Å; I5-S42 PolarHBondContact N-O 3.19Å
43L95.1Very high87.4Confident35 Ų3546.5 Ų46.518%0.18327%0.266CS..EExtended strand (participates in β ladder)trans-103.9136.6179.9-74.7160.7000110.8I5 L7 D26 I29 L30I5-L43 HydrophobicContact CB-CD2 3.62Å; I5-L43 HydrophobicContact CD1-CD2 4.41Å; I5-L43 HydrophobicContact CG2-CD2 3.66Å; I5-L43 CarbonylContact O-C 3.59Å; I5-L43 WeakPolarHBondContact O-CA 3.24Å; L7-L43 HydrophobicContact CD1-CD2 3.95Å; L7-L43 HydrophobicContact CD2-CD2 4.02Å; L7-L43 HydrophobicContact CG-CD2 3.82Å; D26-L43 HydrophobicContact CB-CD1 3.49Å; D26-L43 VanDerWaalsContact CB-CD1 3.49Å; D26-L43 WeakPolarHBondContact O-CD1 3.19Å; I29-L43 HydrophobicContact CD1-CD2 4.41Å; L30-L43 HydrophobicContact CD1-CD1 3.98Å; L30-L43 HydrophobicContact CD2-CD1 4.17Å; L30-L43 HydrophobicContact CD2-CG 4.3Å; L30-L43 HydrophobicContact CG-CD1 3.78Å; L30-L43 HydrophobicContact CG-CG 4.43Å
44V95.8Very high88.1Confident41 Ų4148.4 Ų48.425%0.24828%0.28CS..EExtended strand (participates in β ladder)trans-110.3106.3170.4-174.40000108.2K4 I5 V6 L7 L46 A66K4-V44 HydrophobicContact CB-CG2 4.44Å; K4-V44 HydrophobicContact CD-CG2 4.32Å; K4-V44 HydrophobicContact CG-CG2 4.44Å; I5-V44 PolarHBondContact O-N 2.76Å; V6-V44 HydrophobicContact CG2-CB 4.15Å; V6-V44 HydrophobicContact CG2-CG2 4.47Å; L7-V44 PolarHBondContact N-O 3.13Å; V44-L46 HydrophobicContact CG1-CD1 4.4Å; V44-L46 HydrophobicContact CG1-CG 4.17Å; V44-L46 PolarHBondContact O-N 3.31Å; V44-A66 HydrophobicContact CG1-CB 4Å
45K94.9Very high88.9Confident63 Ų6348.2 Ų48.227%0.27428%0.276SS..EExtended strand (participates in β ladder)trans-87.4104.6-172.7-166.2170.4-167.3150.10111.7A14 S22 D23 D26A14-K45 VanDerWaalsContact C-CE 3.47Å; A14-K45 WeakPolarHBondContact O-CE 3.37Å; A14-K45 PolarHBondContact O-NZ 2.96Å; S22-K45 PolarHBondContact O-NZ 2.69Å; D23-K45 IonicContact OD1-NZ 3.72Å; D23-K45 PolarHBondContact OD1-NZ 3.02Å; D26-K45 IonicContact OD1-NZ 2.97Å; D26-K45 PolarHBondContact OD1-NZ 3.48Å; D26-K45 IonicContact OD2-NZ 3.14Å
46L96.5Very high90.2Very high28 Ų2843.4 Ų43.415%0.14725%0.253CS..EExtended strand (participates in β ladder)trans-119.629.3177-59.4177.5000111.2V6 L7 F8 G9 V44 R59 E62 A63 A66V6-L46 HydrophobicContact CG1-CD1 3.79Å; V6-L46 HydrophobicContact CG1-CG 4.45Å; L7-L46 CarbonylContact O-C 3.48Å; L7-L46 VanDerWaalsContact O-CA 3.24Å; L7-L46 WeakPolarHBondContact O-CA 3.45Å; L7-L46 PolarHBondContact O-N 2.9Å; F8-L46 HydrophobicContact CD2-CB 3.93Å; F8-L46 HydrophobicContact CD2-CD1 4.45Å; G9-L46 PolarHBondContact N-O 2.81Å; V44-L46 HydrophobicContact CG1-CD1 4.4Å; V44-L46 HydrophobicContact CG1-CG 4.17Å; V44-L46 PolarHBondContact O-N 3.31Å; L46-R59 VanDerWaalsContact O-CZ 3.28Å; L46-R59 PolarHBondContact O-NH1 3.06Å; L46-R59 PolarHBondContact O-NH2 3.3Å; L46-E62 HydrophobicContact CD1-CB 4.44Å; L46-E62 WeakPolarHBondContact CD1-O 3.45Å; L46-A63 VanDerWaalsContact CD1-CA 3.44Å; L46-A63 HydrophobicContact CD1-CB 3.75Å; L46-A66 HydrophobicContact CD1-CB 4.44Å
47G95.1Very high91.6Very high15 Ų1542.5 Ų42.516%0.15525%0.249CC..EExtended strand (participates in β ladder)trans-79126.5167.700000111.1L7 G9 A14L7-G47 PolarHBondContact O-N 3.46Å; G9-G47 CarbonylContact O-C 3.59Å; G9-G47 VanDerWaalsContact O-CA 3.29Å; G9-G47 WeakPolarHBondContact O-CA 3.36Å; A14-G47 WeakPolarHBondContact CB-O 3.49Å
48K94.6Very high93Very high76 Ų7644 Ų4433%0.3326%0.256SS..  trans-125.4130.7177.9-74.2-178.5-169.6167.30111G9 D10 S11 G50 E51 E62G9-K48 PolarHBondContact O-N 3.47Å; D10-K48 CarbonylContact C-O 3.57Å; D10-K48 VanDerWaalsContact C-O 3.27Å; D10-K48 VanDerWaalsContact CA-O 3.26Å; D10-K48 WeakPolarHBondContact CA-O 3.48Å; S11-K48 PolarHBondContact N-O 3.47Å; K48-G50 PolarHBondContact O-N 3.47Å; K48-E51 HydrophobicContact CB-CG 3.88Å; K48-E51 VanDerWaalsContact CB-OE1 3.23Å; K48-E51 WeakPolarHBondContact CB-OE1 3.27Å; K48-E51 WeakPolarHBondContact CD-OE1 3.46Å; K48-E51 PolarHBondContact O-N 3.01Å; K48-E62 IonicContact NZ-OE1 3.51Å; K48-E62 PolarHBondContact NZ-OE1 3.3Å; K48-E62 IonicContact NZ-OE2 3.39Å; K48-E62 PolarHBondContact NZ-OE2 3.35Å
49R93.7Very high94.2Very high133 Ų13342.2 Ų42.250%0.50225%0.248SC..THydrogen-bonded Turntrans-63.2133.4-171.3-70.5-177.565.1-173.79.2112.2S11 A14 V16 G19 T21 E51S11-R49 WeakPolarHBondContact OG-CA 3.23Å; A14-R49 HydrophobicContact CB-CG 4.4Å; V16-R49 HydrophobicContact CG2-CG 3.91Å; G19-R49 PolarHBondContact O-NH1 2.78Å; G19-R49 PolarHBondContact O-NH2 3.25Å; T21-R49 HydrophobicContact CG2-CG 4.12Å; R49-E51 PolarHBondContact O-N 3.04Å
50G92Very high95Very high20 Ų2039.1 Ų39.121%0.20623%0.228CC..THydrogen-bonded Turntrans73.17.617200000115.1S11 K48 N78 K82S11-G50 PolarHBondContact OG-N 2.95Å; K48-G50 PolarHBondContact O-N 3.47Å; G50-N78 VanDerWaalsContact C-ND2 3.29Å; G50-N78 WeakPolarHBondContact CA-ND2 3.44Å; G50-K82 PolarHBondContact O-NZ 3.23Å
51E95.1Very high95.7Very high30 Ų3040.1 Ų40.114%0.1423%0.228CC..  trans-72.8149.1178.5-74.9-169.2173.700112.9D10 K48 R49 D55 R59 F75 N78D10-E51 WeakPolarHBondContact CB-O 3.29Å; K48-E51 HydrophobicContact CB-CG 3.88Å; K48-E51 VanDerWaalsContact CB-OE1 3.23Å; K48-E51 WeakPolarHBondContact CB-OE1 3.27Å; K48-E51 WeakPolarHBondContact CD-OE1 3.46Å; K48-E51 PolarHBondContact O-N 3.01Å; R49-E51 PolarHBondContact O-N 3.04Å; E51-D55 HydrophobicContact CB-CB 3.87Å; E51-D55 HydrophobicContact CG-CB 3.81Å; E51-R59 IonicContact OE1-NE 3.91Å; E51-R59 PolarHBondContact OE1-NE 2.82Å; E51-R59 IonicContact OE2-CZ 2.88Å; E51-R59 IonicContact OE2-NE 3.17Å; E51-R59 PolarHBondContact OE2-NE 3.36Å; E51-R59 IonicContact OE2-NH2 2.67Å; E51-R59 PolarHBondContact OE2-NH2 3.29Å; E51-F75 HydrophobicContact CB-CE1 4.4Å; E51-N78 VanDerWaalsContact O-CB 3.27Å; E51-N78 WeakPolarHBondContact O-CB 3.39Å; E51-N78 PolarHBondContact O-ND2 3.36Å
52T97.1Very high96Very high8 Ų842.6 Ų42.65%0.04924%0.24CC..  trans-98.4172.7170.865.30000110.2S54 D55 G56 F75 N78 D79 A84T52-S54 PolarHBondContact O-N 3.34Å; T52-S54 PolarHBondContact OG1-N 2.66Å; T52-D55 WeakPolarHBondContact CB-OD2 3.26Å; T52-D55 PolarHBondContact N-OD2 3.38Å; T52-D55 PolarHBondContact O-N 3Å; T52-D55 VanDerWaalsContact O-N 3.17Å; T52-D55 PolarHBondContact OG1-N 3.43Å; T52-D55 PolarHBondContact OG1-OD2 2.95Å; T52-G56 PolarHBondContact O-N 3.45Å; T52-F75 WeakPolarHBondContact O-CD1 3.27Å; T52-N78 HydrophobicContact CG2-CB 4.19Å; T52-D79 WeakPolarHBondContact CA-OD2 3.38Å; T52-A84 HydrophobicContact CG2-CB 3.75Å
53S97.4Very high96.1Very high0 Ų041.1 Ų41.10%023%0.23CC..Hα-helixtrans-62-25.7174.668.40000113.3L57 D79 N85 N93S53-L57 WeakPolarHBondContact O-CB 3.49Å; S53-L57 PolarHBondContact O-N 2.94Å; S53-D79 PolarHBondContact N-OD1 2.9Å; S53-D79 PolarHBondContact N-OD2 2.86Å; S53-D79 VanDerWaalsContact N-OD2 3.16Å; S53-D79 PolarHBondContact OG-OD1 3.14Å; S53-N85 PolarHBondContact OG-ND2 2.99Å; S53-N93 WeakPolarHBondContact OG-CB 3.49Å; S53-N93 PolarHBondContact OG-ND2 3.43Å
54S97.3Very high96.2Very high41 Ų4142.3 Ų42.329%0.28724%0.239SC..Hα-helixtrans-70.8-40.1175.4-63.10000111.8T52 A58 N85 N93T52-S54 PolarHBondContact O-N 3.34Å; T52-S54 PolarHBondContact OG1-N 2.66Å; S54-A58 PolarHBondContact O-N 2.72Å; S54-A58 VanDerWaalsContact O-N 3.17Å; S54-N85 PolarHBondContact N-ND2 2.98Å; S54-N85 VanDerWaalsContact OG-CG 3.26Å; S54-N85 PolarHBondContact OG-ND2 3.42Å; S54-N85 PolarHBondContact OG-OD1 3.34Å; S54-N93 WeakPolarHBondContact CA-ND2 3.26Å; S54-N93 PolarHBondContact N-ND2 2.94Å; S54-N93 PolarHBondContact OG-ND2 3Å
55D97.3Very high96.2Very high75 Ų7546.4 Ų46.440%0.40126%0.259SS..Hα-helixtrans-66.6-42175.4-56.1-59.7000110.2E51 T52 A58E51-D55 HydrophobicContact CB-CB 3.87Å; E51-D55 HydrophobicContact CG-CB 3.81Å; T52-D55 WeakPolarHBondContact CB-OD2 3.26Å; T52-D55 PolarHBondContact N-OD2 3.38Å; T52-D55 PolarHBondContact O-N 3Å; T52-D55 VanDerWaalsContact O-N 3.17Å; T52-D55 PolarHBondContact OG1-N 3.43Å; T52-D55 PolarHBondContact OG1-OD2 2.95Å; D55-A58 PolarHBondContact O-N 2.88Å
56G97.2Very high96.2Very high0 Ų044.1 Ų44.10%025%0.252CS..Hα-helixtrans-57.3-52.6173.300000112.1F8 T52 A58 R59 V60 F75F8-G56 VanDerWaalsContact CZ-O 3.3Å; F8-G56 WeakPolarHBondContact CZ-O 3.32Å; T52-G56 PolarHBondContact O-N 3.45Å; G56-A58 VanDerWaalsContact C-N 3.28Å; G56-A58 PolarHBondContact O-N 2.77Å; G56-R59 CarbonylContact O-C 3.44Å; G56-R59 VanDerWaalsContact O-CG 3.29Å; G56-R59 WeakPolarHBondContact O-CG 3.49Å; G56-R59 PolarHBondContact O-N 3.27Å; G56-V60 PolarHBondContact O-N 2.95Å; G56-F75 VanDerWaalsContact CA-CZ 3.47Å
57L97.6Very high96Very high32 Ų3250 Ų5017%0.16828%0.278CS..Hα-helixtrans-56.6-41.2179.6178.762.5000112.4S53 R59 V60 N93 E96 I97S53-L57 WeakPolarHBondContact O-CB 3.49Å; S53-L57 PolarHBondContact O-N 2.94Å; L57-R59 PolarHBondContact O-N 3.4Å; L57-V60 HydrophobicContact CD1-CG1 4.44Å; L57-V60 WeakPolarHBondContact O-CG1 3.14Å; L57-V60 PolarHBondContact O-N 3.08Å; L57-N93 HydrophobicContact CD2-CB 4.46Å; L57-E96 HydrophobicContact CD1-CB 3.91Å; L57-E96 HydrophobicContact CD1-CG 3.68Å; L57-E96 VanDerWaalsContact CD2-OE2 3.3Å; L57-E96 WeakPolarHBondContact CD2-OE2 3.37Å; L57-I97 HydrophobicContact CB-CD1 4.22Å; L57-I97 HydrophobicContact CB-CG1 4.1Å; L57-I97 HydrophobicContact CD1-CG1 3.93Å
58A97.6Very high95.9Very high89 Ų8949.5 Ų49.574%0.73627%0.274SS*.Hα-helixtrans-61.1-18.9178.600000114.2S54 D55 G56S54-A58 PolarHBondContact O-N 2.72Å; S54-A58 VanDerWaalsContact O-N 3.17Å; D55-A58 PolarHBondContact O-N 2.88Å; G56-A58 VanDerWaalsContact C-N 3.28Å; G56-A58 PolarHBondContact O-N 2.77Å
59R97Very high95.8Very high13 Ų1348.6 Ų48.65%0.04927%0.273CS..THydrogen-bonded Turntrans-122.816.4179.969.3175.4-179.290.73.6113.9F8 G9 L46 E51 G56 L57 S61 E62F8-R59 HydrophobicContact CE2-CG 4.08Å; F8-R59 HydrophobicContact CZ-CG 4.25Å; G9-R59 PolarHBondContact O-NH2 2.79Å; L46-R59 VanDerWaalsContact O-CZ 3.28Å; L46-R59 PolarHBondContact O-NH1 3.06Å; L46-R59 PolarHBondContact O-NH2 3.3Å; E51-R59 IonicContact OE1-NE 3.91Å; E51-R59 PolarHBondContact OE1-NE 2.82Å; E51-R59 IonicContact OE2-CZ 2.88Å; E51-R59 IonicContact OE2-NE 3.17Å; E51-R59 PolarHBondContact OE2-NE 3.36Å; E51-R59 IonicContact OE2-NH2 2.67Å; E51-R59 PolarHBondContact OE2-NH2 3.29Å; G56-R59 CarbonylContact O-C 3.44Å; G56-R59 VanDerWaalsContact O-CG 3.29Å; G56-R59 WeakPolarHBondContact O-CG 3.49Å; G56-R59 PolarHBondContact O-N 3.27Å; L57-R59 PolarHBondContact O-N 3.4Å; R59-S61 PolarHBondContact O-N 2.78Å; R59-S61 VanDerWaalsContact O-N 3.1Å; R59-E62 HydrophobicContact CB-CG 4.2Å; R59-E62 IonicContact NH1-OE2 3.89Å; R59-E62 WeakPolarHBondContact O-CB 3.43Å; R59-E62 PolarHBondContact O-N 3.48Å
60V97.5Very high95.9Very high21 Ų2142.4 Ų42.413%0.12725%0.25CC..Hα-helixtrans-56.3-29.4-179.569.60000112.2F8 G56 L57 E62 A63 V64 I97 F101F8-V60 HydrophobicContact CE1-CG2 4.34Å; F8-V60 HydrophobicContact CZ-CB 4.28Å; F8-V60 HydrophobicContact CZ-CG2 4.45Å; G56-V60 PolarHBondContact O-N 2.95Å; L57-V60 HydrophobicContact CD1-CG1 4.44Å; L57-V60 WeakPolarHBondContact O-CG1 3.14Å; L57-V60 PolarHBondContact O-N 3.08Å; V60-E62 VanDerWaalsContact C-N 3.25Å; V60-E62 PolarHBondContact O-N 2.63Å; V60-A63 PolarHBondContact O-N 3.03Å; V60-V64 HydrophobicContact CG2-CG2 4.47Å; V60-V64 PolarHBondContact O-N 3.1Å; V60-I97 HydrophobicContact CG2-CG1 4.5Å; V60-I97 HydrophobicContact CG2-CG2 4.1Å; V60-F101 HydrophobicContact CG2-CE2 3.95Å; V60-F101 HydrophobicContact CG2-CZ 4.09Å
61S96.7Very high96.1Very high66 Ų6641.6 Ų41.646%0.46224%0.24SC..Hα-helixtrans-56.4-35.6173.660.90000113.2R59 A63 V64 D65R59-S61 PolarHBondContact O-N 2.78Å; R59-S61 VanDerWaalsContact O-N 3.1Å; S61-A63 PolarHBondContact O-N 3.13Å; S61-V64 PolarHBondContact O-N 2.75Å; S61-D65 VanDerWaalsContact O-CB 3.31Å; S61-D65 WeakPolarHBondContact O-CB 3.18Å; S61-D65 PolarHBondContact O-N 2.92Å
62E97.1Very high96.3Very high76 Ų7640.1 Ų40.136%0.35523%0.234SC..Hα-helixtrans-59.2-35.8176.1-63.4177.3-168.400111.6L46 K48 R59 V60 A66L46-E62 HydrophobicContact CD1-CB 4.44Å; L46-E62 WeakPolarHBondContact CD1-O 3.45Å; K48-E62 IonicContact NZ-OE1 3.51Å; K48-E62 PolarHBondContact NZ-OE1 3.3Å; K48-E62 IonicContact NZ-OE2 3.39Å; K48-E62 PolarHBondContact NZ-OE2 3.35Å; R59-E62 HydrophobicContact CB-CG 4.2Å; R59-E62 IonicContact NH1-OE2 3.89Å; R59-E62 WeakPolarHBondContact O-CB 3.43Å; R59-E62 PolarHBondContact O-N 3.48Å; V60-E62 VanDerWaalsContact C-N 3.25Å; V60-E62 PolarHBondContact O-N 2.63Å; E62-A66 PolarHBondContact O-N 3.17Å
63A96.3Very high96.3Very high1 Ų139.8 Ų39.81%0.00823%0.231CC..Hα-helixtrans-83.4-33.5179.800000113V6 F8 L46 V60 S61 A66 F101V6-A63 HydrophobicContact CG1-CB 4.17Å; F8-A63 HydrophobicContact CB-CB 4.11Å; F8-A63 HydrophobicContact CD1-CB 4.32Å; F8-A63 HydrophobicContact CD2-CB 3.48Å; F8-A63 VanDerWaalsContact CD2-CB 3.48Å; F8-A63 HydrophobicContact CE2-CB 3.83Å; F8-A63 HydrophobicContact CG-CB 3.72Å; F8-A63 HydrophobicContact CZ-CB 4.41Å; L46-A63 VanDerWaalsContact CD1-CA 3.44Å; L46-A63 HydrophobicContact CD1-CB 3.75Å; V60-A63 PolarHBondContact O-N 3.03Å; S61-A63 PolarHBondContact O-N 3.13Å; A63-A66 WeakPolarHBondContact O-CB 3.43Å; A63-A66 PolarHBondContact O-N 3.07Å; A63-F101 HydrophobicContact CB-CE1 4.2Å; A63-F101 HydrophobicContact CB-CZ 3.73Å
64V96.2Very high96.3Very high61 Ų6139.8 Ų39.837%0.3723%0.232SC..Hα-helixtrans-63.9-46.3172.1175.20000110.3V60 S61 A66 E67 F101V60-V64 HydrophobicContact CG2-CG2 4.47Å; V60-V64 PolarHBondContact O-N 3.1Å; S61-V64 PolarHBondContact O-N 2.75Å; V64-A66 PolarHBondContact O-N 2.9Å; V64-A66 VanDerWaalsContact O-N 3.17Å; V64-E67 PolarHBondContact O-N 2.9Å; V64-E67 VanDerWaalsContact O-N 3.13Å; V64-F101 HydrophobicContact CB-CE1 4.44Å; V64-F101 HydrophobicContact CG2-CD1 4.36Å; V64-F101 HydrophobicContact CG2-CE1 3.76Å; V64-F101 HydrophobicContact CG2-CZ 3.91Å
65D96.3Very high96.3Very high126 Ų12638 Ų3867%0.67422%0.219SC*.THydrogen-bonded Turntrans-65.2-18.3179.8-68.2-16.7000113.1S61 E67S61-D65 VanDerWaalsContact O-CB 3.31Å; S61-D65 WeakPolarHBondContact O-CB 3.18Å; S61-D65 PolarHBondContact O-N 2.92Å; D65-E67 PolarHBondContact O-N 3.2Å
66A94.7Very high96.1Very high15 Ų1534.4 Ų34.412%0.12420%0.2CC..THydrogen-bonded Turntrans-71-19.1176.700000113.2K4 V6 V44 L46 E62 A63 V64K4-A66 WeakPolarHBondContact CD-O 3.32Å; K4-A66 PolarHBondContact NZ-O 3.32Å; K4-A66 VanDerWaalsContact NZ-O 3.13Å; V6-A66 HydrophobicContact CG1-CB 4.42Å; V6-A66 HydrophobicContact CG2-CB 3.74Å; V44-A66 HydrophobicContact CG1-CB 4Å; L46-A66 HydrophobicContact CD1-CB 4.44Å; E62-A66 PolarHBondContact O-N 3.17Å; A63-A66 WeakPolarHBondContact O-CB 3.43Å; A63-A66 PolarHBondContact O-N 3.07Å; V64-A66 PolarHBondContact O-N 2.9Å; V64-A66 VanDerWaalsContact O-N 3.17Å
67E92.4Very high96Very high151 Ų15135.2 Ų35.271%0.70620%0.204SC*.THydrogen-bonded Turntrans51.855.1-179-62.5-178.8164.400112.2V64 D65V64-E67 PolarHBondContact O-N 2.9Å; V64-E67 VanDerWaalsContact O-N 3.13Å; D65-E67 PolarHBondContact O-N 3.2Å
68G92.8Very high95.8Very high6 Ų634.7 Ų34.76%0.06220%0.202CC..  trans-64.2141.2177.400000113.3F70 K105G68-F70 VanDerWaalsContact C-N 3.34Å; G68-K105 PolarHBondContact O-NZ 3.21Å
69D93.1Very high95.6Very high57 Ų5730.4 Ų30.431%0.30517%0.167SC..SBendtrans-72.6-36.1161.6-63.5-75.3000109.9K3 K4 K105K3-D69 WeakPolarHBondContact CA-OD2 3.37Å; K3-D69 HydrophobicContact CB-CB 4.29Å; K3-D69 WeakPolarHBondContact CB-OD2 3.26Å; K4-D69 PolarHBondContact N-OD2 2.62Å; K4-D69 PolarHBondContact O-N 3.23Å; D69-K105 WeakPolarHBondContact O-CB 3.33Å; D69-K105 WeakPolarHBondContact O-CD 3.22Å; D69-K105 VanDerWaalsContact O-CG 3.3Å; D69-K105 WeakPolarHBondContact O-CG 3.41Å
70F95Very high95.4Very high3 Ų329.9 Ų29.91%0.01317%0.165CC..EExtended strand (participates in β ladder)trans-129.3145.3171.2-60.5-78.2000110.5K4 I5 V6 Y41 G68 K105 I186 I189 L190K4-F70 PolarHBondContact O-N 3.31Å; K4-F70 VanDerWaalsContact O-N 3.15Å; I5-F70 HydrophobicContact CG1-CB 4.35Å; I5-F70 HydrophobicContact CG1-CD2 4.3Å; I5-F70 HydrophobicContact CG2-CB 4.49Å; V6-F70 PolarHBondContact N-O 2.94Å; Y41-F70 HydrophobicContact CE1-CD2 4.36Å; Y41-F70 HydrophobicContact CE1-CE2 4.05Å; G68-F70 VanDerWaalsContact C-N 3.34Å; F70-K105 WeakPolarHBondContact CA-O 3.38Å; F70-I186 HydrophobicContact CB-CG1 4.49Å; F70-I186 HydrophobicContact CD1-CG1 4.32Å; F70-I186 HydrophobicContact CD2-CG2 3.98Å; F70-I186 HydrophobicContact CE1-CG2 4.33Å; F70-I186 HydrophobicContact CE2-CG2 3.77Å; F70-I186 HydrophobicContact CG-CG1 4.17Å; F70-I186 HydrophobicContact CG-CG2 4.36Å; F70-I186 HydrophobicContact CZ-CG2 3.97Å; F70-I189 HydrophobicContact CD1-CD1 4.2Å; F70-I189 HydrophobicContact CE1-CB 3.92Å; F70-I189 HydrophobicContact CE1-CD1 4.17Å; F70-I189 HydrophobicContact CE1-CG2 3.67Å; F70-I189 HydrophobicContact CZ-CG2 4.49Å; F70-L190 HydrophobicContact CE2-CD2 4.01Å; F70-L190 HydrophobicContact CE2-CG 4.31Å; F70-L190 HydrophobicContact CZ-CD1 4.5Å; F70-L190 HydrophobicContact CZ-CD2 3.61Å; F70-L190 HydrophobicContact CZ-CG 3.77Å
71V97.2Very high95.1Very high2 Ų230.7 Ų30.71%0.01217%0.168CC..EExtended strand (participates in β ladder)trans-129.1111.2177.3-171.70000109.2V6 F8 I73 F101 K105 V106 I107V6-V71 HydrophobicContact CB-CG1 4.3Å; V6-V71 HydrophobicContact CB-CG2 4.28Å; V6-V71 HydrophobicContact CG1-CG1 4.41Å; V6-V71 WeakPolarHBondContact O-CA 3.46Å; F8-V71 HydrophobicContact CB-CG1 4.46Å; V71-I73 HydrophobicContact CG1-CD1 4.47Å; V71-I73 HydrophobicContact CG1-CG1 3.98Å; V71-F101 HydrophobicContact CB-CD1 4.43Å; V71-F101 HydrophobicContact CG1-CD1 4.33Å; V71-F101 HydrophobicContact CG1-CE1 4.05Å; V71-F101 HydrophobicContact CG1-CE2 4.31Å; V71-F101 HydrophobicContact CG1-CZ 4.06Å; V71-F101 HydrophobicContact CG2-CD1 3.8Å; V71-F101 HydrophobicContact CG2-CE1 4.02Å; V71-F101 HydrophobicContact CG2-CG 4.41Å; V71-K105 PolarHBondContact N-O 3.25Å; V71-V106 WeakPolarHBondContact O-CA 3.19Å; V71-I107 PolarHBondContact O-N 3.34Å
72V97.8Very high94.6Very high0 Ų033.4 Ų33.40%017%0.172CC..EExtended strand (participates in β ladder)trans-92.2119.7174.9-173.30000108.4I5 V6 L7 F8 L13 I107 I182I5-V72 HydrophobicContact CG2-CG2 4.21Å; V6-V72 PolarHBondContact O-N 3.25Å; L7-V72 HydrophobicContact CD2-CB 3.89Å; L7-V72 HydrophobicContact CD2-CG2 3.89Å; F8-V72 PolarHBondContact N-O 3.29Å; L13-V72 HydrophobicContact CD1-CG1 4.2Å; L13-V72 WeakPolarHBondContact CD1-O 3.4Å; L13-V72 HydrophobicContact CD2-CG1 4.23Å; V72-I107 CarbonylContact C-O 3.39Å; V72-I107 WeakPolarHBondContact CA-O 3.32Å; V72-I107 HydrophobicContact CG2-CB 4.43Å; V72-I182 HydrophobicContact CG1-CD1 4.1Å; V72-I182 HydrophobicContact CG1-CG1 4.38Å; V72-I182 HydrophobicContact CG2-CG2 3.85Å
73I98.1Very high93.9Very high0 Ų036.4 Ų36.40%019%0.186CC..EExtended strand (participates in β ladder)trans-110.5129.1-176.1-58.2171000109.7F8 V71 F75 I97 I98 F101 V106 I107 L108 L109F8-I73 VanDerWaalsContact O-CA 3.29Å; F8-I73 WeakPolarHBondContact O-CA 3.38Å; V71-I73 HydrophobicContact CG1-CD1 4.47Å; V71-I73 HydrophobicContact CG1-CG1 3.98Å; I73-F75 HydrophobicContact CG2-CD2 4.07Å; I73-F75 HydrophobicContact CG2-CE2 4.21Å; I73-I97 HydrophobicContact CD1-CG2 3.95Å; I73-I97 HydrophobicContact CG2-CG2 4.14Å; I73-I98 HydrophobicContact CD1-CG1 4.17Å; I73-F101 HydrophobicContact CD1-CD2 4.23Å; I73-F101 HydrophobicContact CD1-CE2 4.27Å; I73-V106 HydrophobicContact CD1-CG1 3.62Å; I73-V106 HydrophobicContact CD1-CG2 4.46Å; I73-V106 HydrophobicContact CG1-CG1 4.37Å; I73-I107 PolarHBondContact N-O 2.95Å; I73-L108 HydrophobicContact CB-CD1 4.02Å; I73-L108 HydrophobicContact CG2-CD1 3.92Å; I73-L109 PolarHBondContact O-N 3.04Å
74S97.4Very high92.8Very high1 Ų139.1 Ų39.11%0.00721%0.208CC..EExtended strand (participates in β ladder)trans-144.8113.3176.8-178.10000113.1F8 G9 D10F8-S74 PolarHBondContact O-N 2.89Å; F8-S74 VanDerWaalsContact O-N 3.08Å; G9-S74 CarbonylContact C-O 3.58Å; G9-S74 WeakPolarHBondContact CA-O 3.5Å; D10-S74 PolarHBondContact N-O 3.44Å
75F96.9Very high92.4Very high3 Ų337 Ų371%0.01320%0.195CC..  trans-143.7168.6169.2-61.9-84.6000109.8F8 G9 D10 E51 T52 G56 I73 F90 I94 I97F8-F75 AromaticContact CD1-CE2 3.86Å; F8-F75 HydrophobicContact CD1-CE2 3.86Å; F8-F75 HydrophobicContact CD1-CZ 4.24Å; F8-F75 AromaticContact CE1-CE2 3.74Å; F8-F75 HydrophobicContact CE1-CE2 3.74Å; F8-F75 AromaticContact CE1-CZ 3.96Å; F8-F75 HydrophobicContact CE1-CZ 3.96Å; F8-F75 HydrophobicContact CZ-CE2 4.48Å; F8-F75 HydrophobicContact CZ-CZ 4.27Å; G9-F75 VanDerWaalsContact CA-CZ 3.48Å; D10-F75 HydrophobicContact CB-CD1 4.24Å; E51-F75 HydrophobicContact CB-CE1 4.4Å; T52-F75 WeakPolarHBondContact O-CD1 3.27Å; G56-F75 VanDerWaalsContact CA-CZ 3.47Å; I73-F75 HydrophobicContact CG2-CD2 4.07Å; I73-F75 HydrophobicContact CG2-CE2 4.21Å; F75-F90 HydrophobicContact CB-CE2 4.48Å; F75-I94 HydrophobicContact CB-CD1 4.12Å; F75-I94 HydrophobicContact CD2-CD1 4.36Å; F75-I97 HydrophobicContact CD2-CD1 4.24Å; F75-I97 HydrophobicContact CE2-CD1 4.1Å
76G94Very high92.2Very high0 Ų033.9 Ų33.90%018%0.183CC..  trans126.2-30.6173.500000114.1D79 S80 F90 T111G76-D79 VanDerWaalsContact CA-OD2 3.27Å; G76-D79 WeakPolarHBondContact CA-OD2 3.45Å; G76-D79 PolarHBondContact N-OD2 2.91Å; G76-D79 VanDerWaalsContact N-OD2 3.08Å; G76-D79 PolarHBondContact O-N 2.98Å; G76-S80 VanDerWaalsContact O-CB 3.25Å; G76-S80 WeakPolarHBondContact O-CB 3.37Å; G76-S80 PolarHBondContact O-N 3.22Å; G76-F90 VanDerWaalsContact CA-CE2 3.46Å; G76-T111 VanDerWaalsContact C-CG2 3.41Å
77T93.7Very high92.1Very high17 Ų1736 Ų3610%0.10419%0.191CC..Hα-helixtrans-64.1-47.3-179.2-59.30000110.2S80 L81 I168T77-S80 PolarHBondContact O-N 3.03Å; T77-L81 HydrophobicContact CG2-CD1 3.99Å; T77-L81 HydrophobicContact CG2-CG 4.49Å; T77-L81 WeakPolarHBondContact O-CB 3.41Å; T77-L81 VanDerWaalsContact O-CG 3.28Å; T77-L81 WeakPolarHBondContact O-CG 3.35Å; T77-L81 PolarHBondContact O-N 3.17Å; T77-I168 HydrophobicContact CG2-CG2 4.01Å
78N93.6Very high92.2Very high20 Ų2033.5 Ų33.511%0.10718%0.183CC..Hα-helixtrans-72-35.6176.3-68.8-54.2000112.8G50 E51 T52 S80 L81 K82G50-N78 VanDerWaalsContact C-ND2 3.29Å; G50-N78 WeakPolarHBondContact CA-ND2 3.44Å; E51-N78 VanDerWaalsContact O-CB 3.27Å; E51-N78 WeakPolarHBondContact O-CB 3.39Å; E51-N78 PolarHBondContact O-ND2 3.36Å; T52-N78 HydrophobicContact CG2-CB 4.19Å; N78-S80 VanDerWaalsContact C-N 3.27Å; N78-S80 PolarHBondContact O-N 3.46Å; N78-L81 PolarHBondContact O-N 3.24Å; N78-K82 HydrophobicContact CB-CD 4.36Å; N78-K82 VanDerWaalsContact O-CB 3.24Å; N78-K82 WeakPolarHBondContact O-CB 3.37Å; N78-K82 WeakPolarHBondContact O-CG 3.48Å; N78-K82 PolarHBondContact O-N 3.5Å
79D94.5Very high92.4Very high0 Ų035.4 Ų35.40%019%0.193CC..Hα-helixtrans-57-45.2173.8-57.4-103.4000110.9T52 S53 G76 Q83 N85 F90 F130T52-D79 WeakPolarHBondContact CA-OD2 3.38Å; S53-D79 PolarHBondContact N-OD1 2.9Å; S53-D79 PolarHBondContact N-OD2 2.86Å; S53-D79 VanDerWaalsContact N-OD2 3.16Å; S53-D79 PolarHBondContact OG-OD1 3.14Å; G76-D79 VanDerWaalsContact CA-OD2 3.27Å; G76-D79 WeakPolarHBondContact CA-OD2 3.45Å; G76-D79 PolarHBondContact N-OD2 2.91Å; G76-D79 VanDerWaalsContact N-OD2 3.08Å; G76-D79 PolarHBondContact O-N 2.98Å; D79-Q83 WeakPolarHBondContact O-CA 3.49Å; D79-Q83 PolarHBondContact O-N 2.91Å; D79-N85 HydrophobicContact CB-CB 4.35Å; D79-N85 PolarHBondContact OD1-ND2 3.09Å; D79-F90 HydrophobicContact CB-CD2 4.19Å; D79-F130 HydrophobicContact CB-CD1 4.08Å; D79-F130 HydrophobicContact CB-CE1 3.52Å; D79-F130 HydrophobicContact CB-CZ 4.29Å
80S92.2Very high92.6Very high2 Ų232.7 Ų32.71%0.01418%0.179CC..Hα-helixtrans-66.6-56175.7174.60000111.7G76 T77 N78 Q83 R126 Q127G76-S80 VanDerWaalsContact O-CB 3.25Å; G76-S80 WeakPolarHBondContact O-CB 3.37Å; G76-S80 PolarHBondContact O-N 3.22Å; T77-S80 PolarHBondContact O-N 3.03Å; N78-S80 VanDerWaalsContact C-N 3.27Å; N78-S80 PolarHBondContact O-N 3.46Å; S80-Q83 PolarHBondContact O-N 3.27Å; S80-R126 PolarHBondContact O-NE 2.68Å; S80-R126 WeakPolarHBondContact OG-CD 3.43Å; S80-R126 WeakPolarHBondContact OG-CG 3.4Å; S80-Q127 VanDerWaalsContact CB-NE2 3.31Å; S80-Q127 PolarHBondContact OG-NE2 3.41Å
81L90.5Very high92.7Very high37 Ų3732.6 Ų32.619%0.19418%0.178CC..Hα-helixtrans-67.8-42.2-172.7-73.9-178.5000113.9T77 N78 Q83 I114 Y119 I168T77-L81 HydrophobicContact CG2-CD1 3.99Å; T77-L81 HydrophobicContact CG2-CG 4.49Å; T77-L81 WeakPolarHBondContact O-CB 3.41Å; T77-L81 VanDerWaalsContact O-CG 3.28Å; T77-L81 WeakPolarHBondContact O-CG 3.35Å; T77-L81 PolarHBondContact O-N 3.17Å; N78-L81 PolarHBondContact O-N 3.24Å; L81-Q83 VanDerWaalsContact C-N 3.3Å; L81-I114 HydrophobicContact CD1-CD1 3.98Å; L81-I114 HydrophobicContact CD2-CD1 3.69Å; L81-I114 HydrophobicContact CG-CD1 4.02Å; L81-Y119 HydrophobicContact CD1-CE1 4.18Å; L81-Y119 HydrophobicContact CD2-CD1 4.4Å; L81-Y119 HydrophobicContact CD2-CE1 3.8Å; L81-I168 HydrophobicContact CD1-CD1 3.85Å; L81-I168 HydrophobicContact CD1-CG1 4.47Å; L81-I168 HydrophobicContact CD1-CG2 4.43Å
82K86.9Confident92.7Very high123 Ų12338.1 Ų38.154%0.53520%0.204SC..Hα-helixtrans-82.7-11.6-179.2-60.8179.6178.8-178.20112.6G50 N78 A84G50-K82 PolarHBondContact O-NZ 3.23Å; N78-K82 HydrophobicContact CB-CD 4.36Å; N78-K82 VanDerWaalsContact O-CB 3.24Å; N78-K82 WeakPolarHBondContact O-CB 3.37Å; N78-K82 WeakPolarHBondContact O-CG 3.48Å; N78-K82 PolarHBondContact O-N 3.5Å; K82-A84 HydrophobicContact CB-CB 4.1Å; K82-A84 PolarHBondContact O-N 2.92Å
83Q81.6Confident92.7Very high140 Ų14038.9 Ų38.965%0.65421%0.208SC*.  trans51.232.5-168.8-49.8-17321.900112.3D79 S80 L81D79-Q83 WeakPolarHBondContact O-CA 3.49Å; D79-Q83 PolarHBondContact O-N 2.91Å; S80-Q83 PolarHBondContact O-N 3.27Å; L81-Q83 VanDerWaalsContact C-N 3.3Å
84A75.2Confident92.7Very high57 Ų5738.9 Ų38.947%0.47121%0.208SC..  trans-73.4-35.7-175.100000111.7T52 K82T52-A84 HydrophobicContact CG2-CB 3.75Å; K82-A84 HydrophobicContact CB-CB 4.1Å; K82-A84 PolarHBondContact O-N 2.92Å
85N86Confident92.8Very high17 Ų1742.3 Ų42.39%0.09122%0.221CC..SBendtrans-118142.8177.7-73-32.1000110.5S53 S54 D79 T89S53-N85 PolarHBondContact OG-ND2 2.99Å; S54-N85 PolarHBondContact N-ND2 2.98Å; S54-N85 VanDerWaalsContact OG-CG 3.26Å; S54-N85 PolarHBondContact OG-ND2 3.42Å; S54-N85 PolarHBondContact OG-OD1 3.34Å; D79-N85 HydrophobicContact CB-CB 4.35Å; D79-N85 PolarHBondContact OD1-ND2 3.09Å; N85-T89 HydrophobicContact CB-CG2 4.24Å
86S92.8Very high92.8Very high61 Ų6147.2 Ų47.243%0.42724%0.244SC..  trans-68.4161.2165.779.20000110D88 T89 F90S86-D88 PolarHBondContact O-N 2.65Å; S86-D88 PolarHBondContact OG-N 3.42Å; S86-T89 PolarHBondContact O-N 3.35Å; S86-T89 WeakPolarHBondContact OG-CB 3.04Å; S86-T89 PolarHBondContact OG-N 2.84Å; S86-T89 PolarHBondContact OG-OG1 2.9Å; S86-F90 WeakPolarHBondContact O-CB 3.46Å; S86-F90 PolarHBondContact O-N 2.81Å
87L93.4Very high93Very high58 Ų5847.2 Ų47.230%0.30424%0.244SC..Hα-helixtrans-59.9-32.6177-170.566.1000112.1G91 L129 F130 K133L87-G91 PolarHBondContact O-N 3.42Å; L87-L129 HydrophobicContact CD1-CB 4.47Å; L87-L129 HydrophobicContact CD2-CB 4.48Å; L87-F130 HydrophobicContact CD1-CB 4.5Å; L87-F130 HydrophobicContact CD1-CD1 4.19Å; L87-F130 HydrophobicContact CD1-CD2 3.9Å; L87-F130 HydrophobicContact CD1-CE1 4.39Å; L87-F130 HydrophobicContact CD1-CE2 4.12Å; L87-F130 HydrophobicContact CD1-CG 3.94Å; L87-F130 HydrophobicContact CD1-CZ 4.37Å; L87-K133 HydrophobicContact CD1-CB 3.7Å; L87-K133 HydrophobicContact CD1-CG 4.11Å; L87-K133 HydrophobicContact CG-CB 4.11Å; L87-K133 HydrophobicContact CG-CD 4.22Å; L87-K133 HydrophobicContact CG-CG 4.13Å
88D94.6Very high93.2Very high99 Ų9946.6 Ų46.653%0.52924%0.24SC..Hα-helixtrans-74.7-46.1177.6-69.3-33.6000111.8S86 F90 G91 E92 K133S86-D88 PolarHBondContact O-N 2.65Å; S86-D88 PolarHBondContact OG-N 3.42Å; D88-F90 VanDerWaalsContact C-N 3.27Å; D88-F90 PolarHBondContact O-N 2.72Å; D88-G91 PolarHBondContact O-N 3.25Å; D88-E92 WeakPolarHBondContact O-CG 3.5Å; D88-E92 PolarHBondContact O-N 3.48Å; D88-K133 IonicContact OD1-NZ 2.82Å; D88-K133 PolarHBondContact OD1-NZ 2.87Å
89T96.6Very high93.3Very high46 Ų4652 Ų5228%0.28227%0.265SS..Hα-helixtrans-56.6-43.5172.7-51.80000111.1N85 S86 G91 E92 N93N85-T89 HydrophobicContact CB-CG2 4.24Å; S86-T89 PolarHBondContact O-N 3.35Å; S86-T89 WeakPolarHBondContact OG-CB 3.04Å; S86-T89 PolarHBondContact OG-N 2.84Å; S86-T89 PolarHBondContact OG-OG1 2.9Å; T89-G91 PolarHBondContact O-N 2.92Å; T89-E92 PolarHBondContact O-N 3.32Å; T89-N93 WeakPolarHBondContact O-CB 2.86Å; T89-N93 PolarHBondContact O-N 3.11Å; T89-N93 PolarHBondContact O-ND2 3.5Å; T89-N93 PolarHBondContact O-OD1 2.89Å
90F97.6Very high93.4Very high1 Ų154.2 Ų54.20%0.00428%0.28CS..Hα-helixtrans-59.4-47174.5167.5-100.4000111.9F75 G76 D79 S86 D88 E92 N93 I94 F130 K133 A134F75-F90 HydrophobicContact CB-CE2 4.48Å; G76-F90 VanDerWaalsContact CA-CE2 3.46Å; D79-F90 HydrophobicContact CB-CD2 4.19Å; S86-F90 WeakPolarHBondContact O-CB 3.46Å; S86-F90 PolarHBondContact O-N 2.81Å; D88-F90 VanDerWaalsContact C-N 3.27Å; D88-F90 PolarHBondContact O-N 2.72Å; F90-E92 PolarHBondContact O-N 2.94Å; F90-N93 PolarHBondContact O-N 2.76Å; F90-I94 HydrophobicContact CD2-CG1 4Å; F90-I94 HydrophobicContact CE1-CG1 4.12Å; F90-I94 HydrophobicContact CE2-CD1 3.82Å; F90-I94 HydrophobicContact CE2-CG1 3.55Å; F90-I94 HydrophobicContact CG-CG1 4.46Å; F90-I94 HydrophobicContact CZ-CD1 4.13Å; F90-I94 HydrophobicContact CZ-CG1 3.63Å; F90-I94 VanDerWaalsContact O-CG1 3.29Å; F90-I94 WeakPolarHBondContact O-CG1 3.45Å; F90-I94 PolarHBondContact O-N 2.87Å; F90-F130 HydrophobicContact CB-CD1 4.05Å; F90-F130 HydrophobicContact CB-CE1 3.68Å; F90-F130 AromaticContact CD1-CD1 3.55Å; F90-F130 HydrophobicContact CD1-CD1 3.55Å; F90-F130 HydrophobicContact CD1-CE1 4.09Å; F90-F130 HydrophobicContact CD1-CG 4.43Å; F90-F130 AromaticContact CD2-CD1 3.86Å; F90-F130 HydrophobicContact CD2-CD1 3.86Å; F90-F130 HydrophobicContact CD2-CE1 4.13Å; F90-F130 HydrophobicContact CE1-CB 4.32Å; F90-F130 AromaticContact CE1-CD1 3.91Å; F90-F130 HydrophobicContact CE1-CD1 3.91Å; F90-F130 HydrophobicContact CE2-CD1 4.2Å; F90-F130 AromaticContact CG-CD1 3.53Å; F90-F130 HydrophobicContact CG-CD1 3.53Å; F90-F130 AromaticContact CG-CE1 3.7Å; F90-F130 HydrophobicContact CG-CE1 3.7Å; F90-F130 HydrophobicContact CZ-CD1 4.21Å; F90-K133 HydrophobicContact CD1-CB 4.35Å; F90-K133 HydrophobicContact CD1-CG 4.15Å; F90-K133 HydrophobicContact CE1-CB 4.34Å; F90-K133 HydrophobicContact CE1-CG 4.47Å; F90-A134 HydrophobicContact CE1-CB 4.12Å; F90-A134 HydrophobicContact CZ-CB 4.15Å
91G96.8Very high93.5Very high0 Ų055.7 Ų55.70%029%0.287CS..Hα-helixtrans-64.3-37.9178.500000113.8L87 D88 T89 R95L87-G91 PolarHBondContact O-N 3.42Å; D88-G91 PolarHBondContact O-N 3.25Å; T89-G91 PolarHBondContact O-N 2.92Å; G91-R95 WeakPolarHBondContact O-CB 3.31Å; G91-R95 PolarHBondContact O-N 3.46Å; G91-R95 VanDerWaalsContact O-N 3.09Å
92E97.4Very high93.5Very high118 Ų11857.1 Ų57.155%0.55129%0.294SS*.Hα-helixtrans-63.8-49.1173.7-72.8173.6170.100111.2D88 T89 F90 I94 R95 E96D88-E92 WeakPolarHBondContact O-CG 3.5Å; D88-E92 PolarHBondContact O-N 3.48Å; T89-E92 PolarHBondContact O-N 3.32Å; F90-E92 PolarHBondContact O-N 2.94Å; E92-I94 PolarHBondContact O-N 3.49Å; E92-R95 WeakPolarHBondContact O-CB 3.23Å; E92-R95 PolarHBondContact O-N 2.87Å; E92-E96 PolarHBondContact O-N 3.45Å
93N98Very high93.5Very high16 Ų1652.8 Ų52.89%0.08628%0.282CS..Hα-helixtrans-59.9-46.2178-68.1-12.8000112.1S53 S54 L57 T89 F90 R95 E96 I97S53-N93 WeakPolarHBondContact OG-CB 3.49Å; S53-N93 PolarHBondContact OG-ND2 3.43Å; S54-N93 WeakPolarHBondContact CA-ND2 3.26Å; S54-N93 PolarHBondContact N-ND2 2.94Å; S54-N93 PolarHBondContact OG-ND2 3Å; L57-N93 HydrophobicContact CD2-CB 4.46Å; T89-N93 WeakPolarHBondContact O-CB 2.86Å; T89-N93 PolarHBondContact O-N 3.11Å; T89-N93 PolarHBondContact O-ND2 3.5Å; T89-N93 PolarHBondContact O-OD1 2.89Å; F90-N93 PolarHBondContact O-N 2.76Å; N93-R95 VanDerWaalsContact C-N 3.31Å; N93-R95 PolarHBondContact O-N 2.83Å; N93-E96 PolarHBondContact O-N 3.07Å; N93-I97 WeakPolarHBondContact O-CB 3.36Å; N93-I97 WeakPolarHBondContact O-CG1 3.45Å; N93-I97 PolarHBondContact O-N 3.19Å
94I98Very high93.7Very high1 Ų148.6 Ų48.61%0.00527%0.268CS..Hα-helixtrans-61.9-41.1178.5-68.4-62.3000110.8F75 F90 E92 I97 I98 L108 I137F75-I94 HydrophobicContact CB-CD1 4.12Å; F75-I94 HydrophobicContact CD2-CD1 4.36Å; F90-I94 HydrophobicContact CD2-CG1 4Å; F90-I94 HydrophobicContact CE1-CG1 4.12Å; F90-I94 HydrophobicContact CE2-CD1 3.82Å; F90-I94 HydrophobicContact CE2-CG1 3.55Å; F90-I94 HydrophobicContact CG-CG1 4.46Å; F90-I94 HydrophobicContact CZ-CD1 4.13Å; F90-I94 HydrophobicContact CZ-CG1 3.63Å; F90-I94 VanDerWaalsContact O-CG1 3.29Å; F90-I94 WeakPolarHBondContact O-CG1 3.45Å; F90-I94 PolarHBondContact O-N 2.87Å; E92-I94 PolarHBondContact O-N 3.49Å; I94-I97 PolarHBondContact O-N 3.17Å; I94-I98 HydrophobicContact CG2-CD1 3.63Å; I94-I98 HydrophobicContact CG2-CG1 4.38Å; I94-I98 WeakPolarHBondContact O-CB 3.4Å; I94-I98 VanDerWaalsContact O-CG1 3.25Å; I94-I98 WeakPolarHBondContact O-CG1 3.21Å; I94-I98 PolarHBondContact O-N 3.02Å; I94-L108 HydrophobicContact CG2-CD1 4.12Å; I94-L108 HydrophobicContact CG2-CD2 4.13Å; I94-I137 HydrophobicContact CG2-CB 4.31Å; I94-I137 HydrophobicContact CG2-CG2 4Å
95R97.8Very high94.4Very high73 Ų7349.2 Ų49.228%0.27526%0.26SS..Hα-helixtrans-60.9-49.4176.6-175.4-178.9-64.9104.6-7.8111.3G91 E92 N93 I97 I98 E99 I137 E140G91-R95 WeakPolarHBondContact O-CB 3.31Å; G91-R95 PolarHBondContact O-N 3.46Å; G91-R95 VanDerWaalsContact O-N 3.09Å; E92-R95 WeakPolarHBondContact O-CB 3.23Å; E92-R95 PolarHBondContact O-N 2.87Å; N93-R95 VanDerWaalsContact C-N 3.31Å; N93-R95 PolarHBondContact O-N 2.83Å; R95-I97 PolarHBondContact O-N 2.77Å; R95-I98 PolarHBondContact O-N 3.45Å; R95-E99 HydrophobicContact CG-CG 4.34Å; R95-E99 VanDerWaalsContact CG-OE1 3.28Å; R95-E99 WeakPolarHBondContact CG-OE1 3.41Å; R95-E99 WeakPolarHBondContact O-CB 3.16Å; R95-E99 VanDerWaalsContact O-CG 3.28Å; R95-E99 WeakPolarHBondContact O-CG 2.89Å; R95-E99 PolarHBondContact O-N 2.82Å; R95-I137 HydrophobicContact CB-CG2 3.91Å; R95-I137 HydrophobicContact CG-CG2 4.47Å; R95-I137 VanDerWaalsContact CZ-CD1 3.48Å; R95-E140 IonicContact CZ-OE2 2.89Å; R95-E140 IonicContact NE-OE2 2.72Å; R95-E140 IonicContact NH2-OE2 3.67Å; R95-E140 PolarHBondContact NH2-OE2 2.72Å
96E97.6Very high94.8Very high106 Ų10648.4 Ų48.450%0.49526%0.256SS..Hα-helixtrans-65.4-37.3-179-169.1176.8175.800112.4L57 E92 N93 S100L57-E96 HydrophobicContact CD1-CB 3.91Å; L57-E96 HydrophobicContact CD1-CG 3.68Å; L57-E96 VanDerWaalsContact CD2-OE2 3.3Å; L57-E96 WeakPolarHBondContact CD2-OE2 3.37Å; E92-E96 PolarHBondContact O-N 3.45Å; N93-E96 PolarHBondContact O-N 3.07Å; E96-S100 PolarHBondContact O-N 3.48Å; E96-S100 PolarHBondContact O-OG 2.83Å
97I98.1Very high95Very high0 Ų045.5 Ų45.50%024%0.235CC..Hα-helixtrans-62.4-49172.5-66.3166.3000110.2F8 L57 V60 I73 F75 N93 I94 R95 E99 S100 F101F8-I97 HydrophobicContact CD1-CG2 4.1Å; F8-I97 HydrophobicContact CE1-CD1 4.46Å; F8-I97 HydrophobicContact CE1-CG2 3.73Å; L57-I97 HydrophobicContact CB-CD1 4.22Å; L57-I97 HydrophobicContact CB-CG1 4.1Å; L57-I97 HydrophobicContact CD1-CG1 3.93Å; V60-I97 HydrophobicContact CG2-CG1 4.5Å; V60-I97 HydrophobicContact CG2-CG2 4.1Å; I73-I97 HydrophobicContact CD1-CG2 3.95Å; I73-I97 HydrophobicContact CG2-CG2 4.14Å; F75-I97 HydrophobicContact CD2-CD1 4.24Å; F75-I97 HydrophobicContact CE2-CD1 4.1Å; N93-I97 WeakPolarHBondContact O-CB 3.36Å; N93-I97 WeakPolarHBondContact O-CG1 3.45Å; N93-I97 PolarHBondContact O-N 3.19Å; I94-I97 PolarHBondContact O-N 3.17Å; R95-I97 PolarHBondContact O-N 2.77Å; I97-E99 VanDerWaalsContact C-N 3.34Å; I97-E99 PolarHBondContact O-N 2.82Å; I97-S100 VanDerWaalsContact O-CB 3.29Å; I97-S100 WeakPolarHBondContact O-CB 3.4Å; I97-S100 PolarHBondContact O-N 2.94Å; I97-F101 HydrophobicContact CG2-CE2 4.21Å; I97-F101 WeakPolarHBondContact O-CD2 3.21Å; I97-F101 VanDerWaalsContact O-CE2 3.28Å; I97-F101 WeakPolarHBondContact O-CE2 3.29Å
98I97Very high95.2Very high3 Ų342.9 Ų42.92%0.01522%0.221CC..Hα-helixtrans-60.8-44179.9-73.2167000111.1I73 I94 R95 S100 F101 V106 L108 I137 V143I73-I98 HydrophobicContact CD1-CG1 4.17Å; I94-I98 HydrophobicContact CG2-CD1 3.63Å; I94-I98 HydrophobicContact CG2-CG1 4.38Å; I94-I98 WeakPolarHBondContact O-CB 3.4Å; I94-I98 VanDerWaalsContact O-CG1 3.25Å; I94-I98 WeakPolarHBondContact O-CG1 3.21Å; I94-I98 PolarHBondContact O-N 3.02Å; R95-I98 PolarHBondContact O-N 3.45Å; I98-S100 PolarHBondContact O-N 3.34Å; I98-S100 VanDerWaalsContact O-N 3.11Å; I98-F101 PolarHBondContact O-N 2.96Å; I98-F101 VanDerWaalsContact O-N 3.07Å; I98-V106 HydrophobicContact CG1-CG1 4.37Å; I98-L108 HydrophobicContact CD1-CD1 4.38Å; I98-L108 HydrophobicContact CD1-CD2 4.16Å; I98-I137 HydrophobicContact CD1-CG2 3.98Å; I98-V143 HydrophobicContact CD1-CG2 4.12Å; I98-V143 HydrophobicContact CG2-CG1 3.61Å; I98-V143 HydrophobicContact CG2-CG2 4.49Å
99E96.2Very high95.3Very high133 Ų13338.2 Ų38.262%0.62120%0.196SC*.Hα-helixtrans-64.7-12179.7-73.9173.2176.600113.5R95 I97 F101R95-E99 HydrophobicContact CG-CG 4.34Å; R95-E99 VanDerWaalsContact CG-OE1 3.28Å; R95-E99 WeakPolarHBondContact CG-OE1 3.41Å; R95-E99 WeakPolarHBondContact O-CB 3.16Å; R95-E99 VanDerWaalsContact O-CG 3.28Å; R95-E99 WeakPolarHBondContact O-CG 2.89Å; R95-E99 PolarHBondContact O-N 2.82Å; I97-E99 VanDerWaalsContact C-N 3.34Å; I97-E99 PolarHBondContact O-N 2.82Å; E99-F101 VanDerWaalsContact C-N 3.26Å; E99-F101 PolarHBondContact O-N 3.49Å
100S96.6Very high95.3Very high48 Ų4836 Ų3634%0.33618%0.183SC..THydrogen-bonded Turntrans-77.9-6.9173.2-58.20000113.7E96 I97 I98E96-S100 PolarHBondContact O-N 3.48Å; E96-S100 PolarHBondContact O-OG 2.83Å; I97-S100 VanDerWaalsContact O-CB 3.29Å; I97-S100 WeakPolarHBondContact O-CB 3.4Å; I97-S100 PolarHBondContact O-N 2.94Å; I98-S100 PolarHBondContact O-N 3.34Å; I98-S100 VanDerWaalsContact O-N 3.11Å
101F95.6Very high95.1Very high33 Ų3336 Ų3615%0.14518%0.183CC..SBendtrans-127.9163-177-55-82000111.9V60 A63 V64 V71 I73 I97 I98 E99 A103 V106V60-F101 HydrophobicContact CG2-CE2 3.95Å; V60-F101 HydrophobicContact CG2-CZ 4.09Å; A63-F101 HydrophobicContact CB-CE1 4.2Å; A63-F101 HydrophobicContact CB-CZ 3.73Å; V64-F101 HydrophobicContact CB-CE1 4.44Å; V64-F101 HydrophobicContact CG2-CD1 4.36Å; V64-F101 HydrophobicContact CG2-CE1 3.76Å; V64-F101 HydrophobicContact CG2-CZ 3.91Å; V71-F101 HydrophobicContact CB-CD1 4.43Å; V71-F101 HydrophobicContact CG1-CD1 4.33Å; V71-F101 HydrophobicContact CG1-CE1 4.05Å; V71-F101 HydrophobicContact CG1-CE2 4.31Å; V71-F101 HydrophobicContact CG1-CZ 4.06Å; V71-F101 HydrophobicContact CG2-CD1 3.8Å; V71-F101 HydrophobicContact CG2-CE1 4.02Å; V71-F101 HydrophobicContact CG2-CG 4.41Å; I73-F101 HydrophobicContact CD1-CD2 4.23Å; I73-F101 HydrophobicContact CD1-CE2 4.27Å; I97-F101 HydrophobicContact CG2-CE2 4.21Å; I97-F101 WeakPolarHBondContact O-CD2 3.21Å; I97-F101 VanDerWaalsContact O-CE2 3.28Å; I97-F101 WeakPolarHBondContact O-CE2 3.29Å; I98-F101 PolarHBondContact O-N 2.96Å; I98-F101 VanDerWaalsContact O-N 3.07Å; E99-F101 VanDerWaalsContact C-N 3.26Å; E99-F101 PolarHBondContact O-N 3.49Å; F101-A103 PolarHBondContact O-N 3.32Å; F101-V106 HydrophobicContact CB-CG2 3.59Å; F101-V106 HydrophobicContact CD2-CG2 4.44Å; F101-V106 HydrophobicContact CG-CG2 4.27Å
102D89.1Confident94.8Very high66 Ų6636.5 Ų36.535%0.35319%0.188SC..  trans-68.5124165.1-168.7-27.4000108.3S104 K105 R248D102-S104 PolarHBondContact O-N 3.2Å; D102-S104 VanDerWaalsContact O-N 3.1Å; D102-S104 PolarHBondContact OD1-N 3.25Å; D102-K105 HydrophobicContact CB-CD 4.35Å; D102-K105 HydrophobicContact CB-CG 4.31Å; D102-K105 WeakPolarHBondContact O-CB 3.15Å; D102-K105 PolarHBondContact O-N 3.32Å; D102-R248 IonicContact OD2-NH1 3.7Å; D102-R248 PolarHBondContact OD2-NH1 3.08Å; D102-R248 VanDerWaalsContact OD2-NH1 3.15Å; D102-R248 IonicContact OD2-NH2 2.59Å
103A88.4Confident94.7Very high33 Ų3332.3 Ų32.327%0.27317%0.167SC..G310 helixtrans-55.9-29.2-176.400000113.1F101 K105 V106 V143F101-A103 PolarHBondContact O-N 3.32Å; A103-K105 PolarHBondContact O-N 2.92Å; A103-V106 PolarHBondContact O-N 3.42Å; A103-V143 HydrophobicContact CB-CG1 3.74Å
104S84.2Confident94.5Very high51 Ų5131.6 Ų31.636%0.35716%0.164SC..G310 helixtrans-65.3-23.9178.682.30000113.3D102 E193D102-S104 PolarHBondContact O-N 3.2Å; D102-S104 VanDerWaalsContact O-N 3.1Å; D102-S104 PolarHBondContact OD1-N 3.25Å; S104-E193 WeakPolarHBondContact CB-OE1 3.47Å; S104-E193 PolarHBondContact OG-OE1 3.16Å
105K90.5Very high94.4Very high71 Ų7132.1 Ų32.131%0.30917%0.166SC..G310 helixtrans-90.3-12.4-177.8-59.1-174.2168.2-165.20113.3G68 D69 F70 V71 D102 A103G68-K105 PolarHBondContact O-NZ 3.21Å; D69-K105 WeakPolarHBondContact O-CB 3.33Å; D69-K105 WeakPolarHBondContact O-CD 3.22Å; D69-K105 VanDerWaalsContact O-CG 3.3Å; D69-K105 WeakPolarHBondContact O-CG 3.41Å; F70-K105 WeakPolarHBondContact CA-O 3.38Å; V71-K105 PolarHBondContact N-O 3.25Å; D102-K105 HydrophobicContact CB-CD 4.35Å; D102-K105 HydrophobicContact CB-CG 4.31Å; D102-K105 WeakPolarHBondContact O-CB 3.15Å; D102-K105 PolarHBondContact O-N 3.32Å; A103-K105 PolarHBondContact O-N 2.92Å
106V95.3Very high94.2Very high0 Ų031.3 Ų31.30%017%0.169CC..EExtended strand (participates in β ladder)trans-93.7129.3-167.4175.80000111.3V71 I73 I98 F101 A103 V143 N144V71-V106 WeakPolarHBondContact O-CA 3.19Å; I73-V106 HydrophobicContact CD1-CG1 3.62Å; I73-V106 HydrophobicContact CD1-CG2 4.46Å; I73-V106 HydrophobicContact CG1-CG1 4.37Å; I98-V106 HydrophobicContact CG1-CG1 4.37Å; F101-V106 HydrophobicContact CB-CG2 3.59Å; F101-V106 HydrophobicContact CD2-CG2 4.44Å; F101-V106 HydrophobicContact CG-CG2 4.27Å; A103-V106 PolarHBondContact O-N 3.42Å; V106-V143 HydrophobicContact CB-CB 4.04Å; V106-V143 HydrophobicContact CB-CG1 3.74Å; V106-V143 HydrophobicContact CG1-CB 3.99Å; V106-V143 HydrophobicContact CG1-CG1 3.92Å; V106-V143 HydrophobicContact CG1-CG2 4.31Å; V106-V143 HydrophobicContact CG2-CG1 4.48Å; V106-N144 PolarHBondContact O-N 2.55Å
107I96.2Very high94Very high0 Ų032.8 Ų32.80%018%0.181CC..EExtended strand (participates in β ladder)trans-117.1110.5169-57.6171.7000107.6V71 V72 I73 N144 I146 D185 I186 I189V71-I107 PolarHBondContact O-N 3.34Å; V72-I107 CarbonylContact C-O 3.39Å; V72-I107 WeakPolarHBondContact CA-O 3.32Å; V72-I107 HydrophobicContact CG2-CB 4.43Å; I73-I107 PolarHBondContact N-O 2.95Å; I107-N144 HydrophobicContact CG1-CB 4.42Å; I107-I146 HydrophobicContact CG2-CD1 3.59Å; I107-I146 HydrophobicContact CG2-CG1 3.89Å; I107-D185 HydrophobicContact CD1-CB 4.07Å; I107-I186 HydrophobicContact CD1-CG1 3.59Å; I107-I189 HydrophobicContact CD1-CD1 3.92Å; I107-I189 HydrophobicContact CG1-CD1 3.77Å
108L97.6Very high93.7Very high2 Ų236 Ų361%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-88.2120.2176.7-173.769.1000110.5I73 I94 I98 A134 A138 V143 N144 V145 I146I73-L108 HydrophobicContact CB-CD1 4.02Å; I73-L108 HydrophobicContact CG2-CD1 3.92Å; I94-L108 HydrophobicContact CG2-CD1 4.12Å; I94-L108 HydrophobicContact CG2-CD2 4.13Å; I98-L108 HydrophobicContact CD1-CD1 4.38Å; I98-L108 HydrophobicContact CD1-CD2 4.16Å; L108-A134 HydrophobicContact CD2-CB 4.04Å; L108-A134 WeakPolarHBondContact CD2-O 3.46Å; L108-A138 HydrophobicContact CD2-CB 3.85Å; L108-V143 HydrophobicContact CB-CG2 4.4Å; L108-N144 PolarHBondContact N-O 3.33Å; L108-V145 HydrophobicContact CB-CG2 4.48Å; L108-V145 CarbonylContact O-C 3.55Å; L108-V145 VanDerWaalsContact O-CA 3.26Å; L108-V145 WeakPolarHBondContact O-CA 3.35Å; L108-V145 WeakPolarHBondContact O-CG2 3.42Å; L108-I146 PolarHBondContact O-N 3.15Å
109L97Very high93.6Very high1 Ų139.3 Ų39.31%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-97124.9174.1-173.867.4000109.7L12 L13 I73 I146 L148 L178L12-L109 HydrophobicContact CD2-CD2 3.51Å; L12-L109 HydrophobicContact CD2-CG 4.34Å; L12-L109 HydrophobicContact CG-CD2 4.26Å; L13-L109 HydrophobicContact CD2-CD2 4.23Å; I73-L109 PolarHBondContact O-N 3.04Å; L109-I146 HydrophobicContact CD1-CB 3.66Å; L109-I146 HydrophobicContact CD1-CD1 4.49Å; L109-I146 HydrophobicContact CD1-CG2 3.53Å; L109-L148 HydrophobicContact CD1-CB 3.8Å; L109-L148 HydrophobicContact CD1-CD2 4.18Å; L109-L148 HydrophobicContact CD1-CG 4.41Å; L109-L148 HydrophobicContact CD2-CD2 4.29Å; L109-L148 HydrophobicContact CG-CB 4.38Å; L109-L148 HydrophobicContact CG-CD2 4.23Å; L109-L178 HydrophobicContact CD1-CD1 3.64Å; L109-L178 HydrophobicContact CD2-CD1 3.57Å; L109-L178 HydrophobicContact CD2-CD2 4.13Å; L109-L178 HydrophobicContact CD2-CG 4.46Å; L109-L178 HydrophobicContact CG-CD1 4.26Å
110T95.7Very high93.3Very high0 Ų038.2 Ų38.20%022%0.217CC..PPolyproline II helixtrans-76.6173.6178.269.30000112.2T131 A134 K135 V145 I146 D147 L148T110-T131 HydrophobicContact CG2-CG2 3.92Å; T110-A134 HydrophobicContact CG2-CB 4.37Å; T110-K135 HydrophobicContact CG2-CG 3.95Å; T110-V145 HydrophobicContact CG2-CG2 3.91Å; T110-I146 PolarHBondContact N-O 3.24Å; T110-I146 PolarHBondContact OG1-O 3.49Å; T110-D147 WeakPolarHBondContact OG1-CA 3.43Å; T110-L148 PolarHBondContact OG1-N 2.89Å
111T93.2Very high92.9Very high1 Ų143.9 Ų43.91%0.00624%0.236CC..PPolyproline II helixtrans-55.6151.7169.3540000112.2G76 Q127 F130 T131 Y149G76-T111 VanDerWaalsContact C-CG2 3.41Å; T111-Q127 VanDerWaalsContact CB-OE1 3.27Å; T111-Q127 PolarHBondContact OG1-O 2.74Å; T111-Q127 VanDerWaalsContact OG1-O 3.07Å; T111-F130 HydrophobicContact CG2-CB 4.09Å; T111-T131 PolarHBondContact OG1-OG1 3.12Å; T111-Y149 WeakPolarHBondContact O-CB 3.5Å; T111-Y149 PolarHBondContact O-N 3.06Å; T111-Y149 VanDerWaalsContact O-N 3.14Å
112G91.9Very high92.6Very high10 Ų1043 Ų4310%0.10324%0.236CC..PPolyproline II helixtrans-97.7172.4177.400000113.3
113Y93.9Very high92.8Very high30 Ų3043.2 Ų43.212%0.11824%0.237CC..PPolyproline II helixtrans-70.3143171.7169.1-95.3000111.4N115 N124 M152 T153 P158 N159Y113-N115 HydrophobicContact CE1-CB 4.12Å; Y113-N124 WeakPolarHBondContact CE2-ND2 3.18Å; Y113-M152 PolarHBondContact N-SD 3.32Å; Y113-M152 VanDerWaalsContact N-SD 3.44Å; Y113-T153 HydrophobicContact CD2-CG2 3.64Å; Y113-T153 HydrophobicContact CG-CG2 4.1Å; Y113-P158 HydrophobicContact CD1-CB 3.76Å; Y113-P158 HydrophobicContact CD1-CG 4.42Å; Y113-P158 HydrophobicContact CD2-CB 4.21Å; Y113-P158 HydrophobicContact CD2-CG 4.46Å; Y113-P158 HydrophobicContact CE1-CB 3.8Å; Y113-P158 HydrophobicContact CE1-CG 3.99Å; Y113-P158 HydrophobicContact CE2-CB 4.24Å; Y113-P158 HydrophobicContact CE2-CG 4.04Å; Y113-P158 HydrophobicContact CG-CB 3.95Å; Y113-N159 WeakPolarHBondContact CE1-OD1 3.21Å; Y113-N159 PolarHBondContact OH-OD1 3.46Å
114I95.1Very high93Very high2 Ų242.8 Ų42.81%0.0123%0.23CC..  trans-113130.7173.6-61.8179.3000109.3L81 T116 Y119 N124 Q127 I168L81-I114 HydrophobicContact CD1-CD1 3.98Å; L81-I114 HydrophobicContact CD2-CD1 3.69Å; L81-I114 HydrophobicContact CG-CD1 4.02Å; I114-T116 PolarHBondContact O-N 2.91Å; I114-T116 VanDerWaalsContact O-N 3.13Å; I114-Y119 HydrophobicContact CG2-CD1 4.23Å; I114-N124 PolarHBondContact N-OD1 2.94Å; I114-N124 PolarHBondContact O-ND2 3.38Å; I114-Q127 HydrophobicContact CD1-CG 3.8Å; I114-Q127 VanDerWaalsContact CD1-NE2 3.34Å; I114-Q127 HydrophobicContact CG1-CG 4.19Å; I114-I168 HydrophobicContact CG2-CG1 4.18Å
115N95.6Very high93.4Very high11 Ų1147.9 Ų47.96%0.05925%0.248CC..  trans-77.998.7170.5-177.5-11.6000110Y113 D117 I118 Y119 N159 V162 G167Y113-N115 HydrophobicContact CE1-CB 4.12Å; N115-D117 PolarHBondContact O-N 3.22Å; N115-D117 WeakPolarHBondContact OD1-CB 3.44Å; N115-D117 PolarHBondContact OD1-N 2.82Å; N115-I118 WeakPolarHBondContact ND2-CD1 3.28Å; N115-I118 PolarHBondContact O-N 3.02Å; N115-Y119 PolarHBondContact O-N 3.31Å; N115-N159 VanDerWaalsContact ND2-CG 3.34Å; N115-N159 PolarHBondContact ND2-OD1 2.87Å; N115-V162 HydrophobicContact CB-CG2 3.66Å; N115-G167 PolarHBondContact N-O 3.32Å
116T94Very high93.5Very high56 Ų5647.6 Ų47.634%0.34425%0.245SC..THydrogen-bonded Turntrans-69.9-16.4-177.850.40000114I114 I118 Y119 S120I114-T116 PolarHBondContact O-N 2.91Å; I114-T116 VanDerWaalsContact O-N 3.13Å; T116-I118 VanDerWaalsContact C-N 3.29Å; T116-Y119 CarbonylContact O-C 3.58Å; T116-S120 WeakPolarHBondContact O-CA 3.36Å
117D92.2Very high93.4Very high138 Ų13847.6 Ų47.674%0.73825%0.245SC*.THydrogen-bonded Turntrans-71.5-29.2173.9-61.8-29.3000111.3N115N115-D117 PolarHBondContact O-N 3.22Å; N115-D117 WeakPolarHBondContact OD1-CB 3.44Å; N115-D117 PolarHBondContact OD1-N 2.82Å
118I93.2Very high93.2Very high66 Ų6651.7 Ų51.734%0.33827%0.265SS..THydrogen-bonded Turntrans-93.6-49.8177.7-59.8-177.5000110N115 T116 T164N115-I118 WeakPolarHBondContact ND2-CD1 3.28Å; N115-I118 PolarHBondContact O-N 3.02Å; T116-I118 VanDerWaalsContact C-N 3.29Å; I118-T164 HydrophobicContact CD1-CG2 4.43Å
119Y93.6Very high93Very high73 Ų7356.6 Ų56.629%0.28629%0.29SS..  trans-102.182.9177.6-166-107.5000110.9L81 I114 N115 T116 K121 G122 D166 I168L81-Y119 HydrophobicContact CD1-CE1 4.18Å; L81-Y119 HydrophobicContact CD2-CD1 4.4Å; L81-Y119 HydrophobicContact CD2-CE1 3.8Å; I114-Y119 HydrophobicContact CG2-CD1 4.23Å; N115-Y119 PolarHBondContact O-N 3.31Å; T116-Y119 CarbonylContact O-C 3.58Å; Y119-K121 HydrophobicContact CD1-CB 4.28Å; Y119-K121 HydrophobicContact CE1-CB 3.67Å; Y119-K121 PolarHBondContact O-N 3.04Å; Y119-G122 WeakPolarHBondContact O-CA 3.18Å; Y119-G122 PolarHBondContact O-N 3.33Å; Y119-D166 WeakPolarHBondContact CB-O 3.45Å; Y119-I168 HydrophobicContact CD1-CD1 3.81Å; Y119-I168 HydrophobicContact CD1-CG1 4.15Å; Y119-I168 HydrophobicContact CD2-CD1 3.75Å; Y119-I168 HydrophobicContact CD2-CG1 4.42Å; Y119-I168 HydrophobicContact CE1-CD1 3.94Å; Y119-I168 HydrophobicContact CE2-CD1 3.85Å; Y119-I168 HydrophobicContact CG-CD1 3.73Å; Y119-I168 HydrophobicContact CG-CG1 4Å
120S89.9Confident93Very high110 Ų11056.8 Ų56.877%0.76929%0.291SS*.THydrogen-bonded Turntrans-58.6-14.7-177.1570000116T116T116-S120 WeakPolarHBondContact O-CA 3.36Å
121K89.9Confident92.9Very high168 Ų16857 Ų5773%0.7329%0.292SS*.THydrogen-bonded Turntrans-90-3.7173.7-64.7-178.3-179.1178.70113.2Y119Y119-K121 HydrophobicContact CD1-CB 4.28Å; Y119-K121 HydrophobicContact CE1-CB 3.67Å; Y119-K121 PolarHBondContact O-N 3.04Å
122G89.4Confident92.8Very high14 Ų1461.7 Ų61.714%0.14431%0.314CS..  trans-69.5147.5179.200000111.4Y119Y119-G122 WeakPolarHBondContact O-CA 3.18Å; Y119-G122 PolarHBondContact O-N 3.33Å
123D92Very high93Very high70 Ų7063.2 Ų63.237%0.37432%0.318SS..  trans-138.897.9180-177.3-14000108.8E125 R126 Q127D123-E125 VanDerWaalsContact C-N 3.34Å; D123-E125 PolarHBondContact OD1-N 3.25Å; D123-E125 VanDerWaalsContact OD1-N 3.1Å; D123-R126 HydrophobicContact CB-CB 3.84Å; D123-R126 PolarHBondContact O-N 3.49Å; D123-R126 PolarHBondContact OD1-N 3.32Å; D123-R126 WeakPolarHBondContact OD2-CB 3.24Å; D123-Q127 WeakPolarHBondContact O-CG 3.39Å; D123-Q127 PolarHBondContact O-N 3.41Å
124N93Very high93.1Very high25 Ų2562 Ų6213%0.13431%0.314CS..Hα-helixtrans-70.1-29-178.8-88.6-40.4000112.7Y113 I114 R126 Q127 Q128 Y149Y113-N124 WeakPolarHBondContact CE2-ND2 3.18Å; I114-N124 PolarHBondContact N-OD1 2.94Å; I114-N124 PolarHBondContact O-ND2 3.38Å; N124-R126 VanDerWaalsContact C-N 3.34Å; N124-Q127 PolarHBondContact O-N 2.96Å; N124-Q128 WeakPolarHBondContact O-CG 3.21Å; N124-Q128 PolarHBondContact O-N 2.85Å; N124-Q128 VanDerWaalsContact O-N 3.08Å; N124-Y149 HydrophobicContact CB-CE2 4.49Å; N124-Y149 WeakPolarHBondContact CB-OH 3.4Å
125E92Very high93.1Very high158 Ų15864.9 Ų64.974%0.73833%0.326SS*.Hα-helixtrans-66.3-42.3173.3-65.5-174.6173.500109.9D123 Q128 L129D123-E125 VanDerWaalsContact C-N 3.34Å; D123-E125 PolarHBondContact OD1-N 3.25Å; D123-E125 VanDerWaalsContact OD1-N 3.1Å; E125-Q128 PolarHBondContact O-N 3.5Å; E125-L129 PolarHBondContact O-N 2.92Å
126R92.5Very high93Very high64 Ų6469.5 Ų69.524%0.24235%0.349CS..Hα-helixtrans-65.6-40.8173.5-168.2-177.3178.488.25112.1S80 D123 N124 Q128 L129 F130S80-R126 PolarHBondContact O-NE 2.68Å; S80-R126 WeakPolarHBondContact OG-CD 3.43Å; S80-R126 WeakPolarHBondContact OG-CG 3.4Å; D123-R126 HydrophobicContact CB-CB 3.84Å; D123-R126 PolarHBondContact O-N 3.49Å; D123-R126 PolarHBondContact OD1-N 3.32Å; D123-R126 WeakPolarHBondContact OD2-CB 3.24Å; N124-R126 VanDerWaalsContact C-N 3.34Å; R126-Q128 VanDerWaalsContact C-N 3.27Å; R126-Q128 PolarHBondContact O-N 3.43Å; R126-L129 WeakPolarHBondContact O-CB 3.4Å; R126-L129 PolarHBondContact O-N 3.25Å; R126-L129 VanDerWaalsContact O-N 3.15Å; R126-F130 HydrophobicContact CG-CD2 4.31Å; R126-F130 HydrophobicContact CG-CE2 4.1Å; R126-F130 WeakPolarHBondContact O-CD2 3.24Å; R126-F130 PolarHBondContact O-N 3.2Å
127Q92.9Very high93Very high0 Ų067 Ų670%033%0.333CS..Hα-helixtrans-55.1-45.2174.1-69.7-51.3-33.600111.4S80 T111 I114 D123 N124 L129 F130 T131 Y149S80-Q127 VanDerWaalsContact CB-NE2 3.31Å; S80-Q127 PolarHBondContact OG-NE2 3.41Å; T111-Q127 VanDerWaalsContact CB-OE1 3.27Å; T111-Q127 PolarHBondContact OG1-O 2.74Å; T111-Q127 VanDerWaalsContact OG1-O 3.07Å; I114-Q127 HydrophobicContact CD1-CG 3.8Å; I114-Q127 VanDerWaalsContact CD1-NE2 3.34Å; I114-Q127 HydrophobicContact CG1-CG 4.19Å; D123-Q127 WeakPolarHBondContact O-CG 3.39Å; D123-Q127 PolarHBondContact O-N 3.41Å; N124-Q127 PolarHBondContact O-N 2.96Å; Q127-L129 VanDerWaalsContact C-N 3.34Å; Q127-L129 PolarHBondContact O-N 2.87Å; Q127-F130 PolarHBondContact O-N 2.91Å; Q127-T131 PolarHBondContact O-N 3.01Å; Q127-T131 PolarHBondContact O-OG1 3.14Å; Q127-Y149 HydrophobicContact CB-CD2 4.15Å; Q127-Y149 HydrophobicContact CB-CE2 3.96Å
128Q92.8Very high92.9Very high87 Ų8760.4 Ų60.441%0.40730%0.298SS..Hα-helixtrans-61.9-36.9178.1-70.8175.718.700112.9N124 E125 R126 F130 T131 Q132 Y149N124-Q128 WeakPolarHBondContact O-CG 3.21Å; N124-Q128 PolarHBondContact O-N 2.85Å; N124-Q128 VanDerWaalsContact O-N 3.08Å; E125-Q128 PolarHBondContact O-N 3.5Å; R126-Q128 VanDerWaalsContact C-N 3.27Å; R126-Q128 PolarHBondContact O-N 3.43Å; Q128-F130 VanDerWaalsContact C-N 3.32Å; Q128-F130 PolarHBondContact O-N 3.43Å; Q128-T131 WeakPolarHBondContact O-CB 3.3Å; Q128-T131 PolarHBondContact O-N 3Å; Q128-Q132 VanDerWaalsContact O-CG 3.3Å; Q128-Q132 WeakPolarHBondContact O-CG 3.47Å; Q128-Q132 PolarHBondContact O-N 3.19Å; Q128-Y149 HydrophobicContact CG-CD1 3.9Å; Q128-Y149 HydrophobicContact CG-CD2 4.47Å; Q128-Y149 HydrophobicContact CG-CE1 3.45Å; Q128-Y149 VanDerWaalsContact CG-CE1 3.45Å; Q128-Y149 HydrophobicContact CG-CE2 4.08Å; Q128-Y149 HydrophobicContact CG-CG 4.39Å; Q128-Y149 PolarHBondContact NE2-OH 3.15Å
129L94.3Very high92.4Very high104 Ų10461.2 Ų61.255%0.54531%0.314SS..Hα-helixtrans-59.9-43.5175.3-68.6174.4000111.6L87 E125 R126 Q127 Q132 K133L87-L129 HydrophobicContact CD1-CB 4.47Å; L87-L129 HydrophobicContact CD2-CB 4.48Å; E125-L129 PolarHBondContact O-N 2.92Å; R126-L129 WeakPolarHBondContact O-CB 3.4Å; R126-L129 PolarHBondContact O-N 3.25Å; R126-L129 VanDerWaalsContact O-N 3.15Å; Q127-L129 VanDerWaalsContact C-N 3.34Å; Q127-L129 PolarHBondContact O-N 2.87Å; L129-Q132 PolarHBondContact O-N 2.75Å; L129-K133 PolarHBondContact O-N 3.26Å
130F95.9Very high92.2Very high5 Ų563.3 Ų63.32%0.02233%0.327CS..Hα-helixtrans-68.4-39.8175.5-78.4-105000111.7D79 L87 F90 T111 R126 Q127 Q128 Q132 K133 A134D79-F130 HydrophobicContact CB-CD1 4.08Å; D79-F130 HydrophobicContact CB-CE1 3.52Å; D79-F130 HydrophobicContact CB-CZ 4.29Å; L87-F130 HydrophobicContact CD1-CB 4.5Å; L87-F130 HydrophobicContact CD1-CD1 4.19Å; L87-F130 HydrophobicContact CD1-CD2 3.9Å; L87-F130 HydrophobicContact CD1-CE1 4.39Å; L87-F130 HydrophobicContact CD1-CE2 4.12Å; L87-F130 HydrophobicContact CD1-CG 3.94Å; L87-F130 HydrophobicContact CD1-CZ 4.37Å; F90-F130 HydrophobicContact CB-CD1 4.05Å; F90-F130 HydrophobicContact CB-CE1 3.68Å; F90-F130 AromaticContact CD1-CD1 3.55Å; F90-F130 HydrophobicContact CD1-CD1 3.55Å; F90-F130 HydrophobicContact CD1-CE1 4.09Å; F90-F130 HydrophobicContact CD1-CG 4.43Å; F90-F130 AromaticContact CD2-CD1 3.86Å; F90-F130 HydrophobicContact CD2-CD1 3.86Å; F90-F130 HydrophobicContact CD2-CE1 4.13Å; F90-F130 HydrophobicContact CE1-CB 4.32Å; F90-F130 AromaticContact CE1-CD1 3.91Å; F90-F130 HydrophobicContact CE1-CD1 3.91Å; F90-F130 HydrophobicContact CE2-CD1 4.2Å; F90-F130 AromaticContact CG-CD1 3.53Å; F90-F130 HydrophobicContact CG-CD1 3.53Å; F90-F130 AromaticContact CG-CE1 3.7Å; F90-F130 HydrophobicContact CG-CE1 3.7Å; F90-F130 HydrophobicContact CZ-CD1 4.21Å; T111-F130 HydrophobicContact CG2-CB 4.09Å; R126-F130 HydrophobicContact CG-CD2 4.31Å; R126-F130 HydrophobicContact CG-CE2 4.1Å; R126-F130 WeakPolarHBondContact O-CD2 3.24Å; R126-F130 PolarHBondContact O-N 3.2Å; Q127-F130 PolarHBondContact O-N 2.91Å; Q128-F130 VanDerWaalsContact C-N 3.32Å; Q128-F130 PolarHBondContact O-N 3.43Å; F130-Q132 PolarHBondContact O-N 2.95Å; F130-K133 PolarHBondContact O-N 3.45Å; F130-A134 WeakPolarHBondContact O-CB 3.43Å; F130-A134 PolarHBondContact O-N 3.12Å
131T93.1Very high92.2Very high4 Ų459.6 Ų59.63%0.02530%0.301CS..Hα-helixtrans-54-51.5171.3-48.90000110.9T110 T111 Q127 Q128 K133 A134 K135 D147T110-T131 HydrophobicContact CG2-CG2 3.92Å; T111-T131 PolarHBondContact OG1-OG1 3.12Å; Q127-T131 PolarHBondContact O-N 3.01Å; Q127-T131 PolarHBondContact O-OG1 3.14Å; Q128-T131 WeakPolarHBondContact O-CB 3.3Å; Q128-T131 PolarHBondContact O-N 3Å; T131-K133 PolarHBondContact O-N 2.7Å; T131-A134 PolarHBondContact O-N 3Å; T131-K135 HydrophobicContact CG2-CD 4.05Å; T131-K135 VanDerWaalsContact O-CG 3.31Å; T131-K135 WeakPolarHBondContact O-CG 3.45Å; T131-K135 PolarHBondContact O-N 2.9Å; T131-D147 WeakPolarHBondContact CG2-OD1 3.46Å
132Q92.6Very high92Very high101 Ų10154.3 Ų54.347%0.47229%0.294SS..Hα-helixtrans-64.4-41.8-178.2-66.8-59.1-20.200111.7Q128 L129 F130 K135 M136Q128-Q132 VanDerWaalsContact O-CG 3.3Å; Q128-Q132 WeakPolarHBondContact O-CG 3.47Å; Q128-Q132 PolarHBondContact O-N 3.19Å; L129-Q132 PolarHBondContact O-N 2.75Å; F130-Q132 PolarHBondContact O-N 2.95Å; Q132-K135 PolarHBondContact O-N 2.88Å; Q132-M136 WeakPolarHBondContact O-CG 3.4Å; Q132-M136 PolarHBondContact O-N 2.93Å
133K96Very high92Very high42 Ų4254.2 Ų54.218%0.18329%0.291CS..Hα-helixtrans-60.6-47.9175.5-171.875.6174.7-1620110.9L87 D88 F90 L129 F130 T131 K135 M136 I137L87-K133 HydrophobicContact CD1-CB 3.7Å; L87-K133 HydrophobicContact CD1-CG 4.11Å; L87-K133 HydrophobicContact CG-CB 4.11Å; L87-K133 HydrophobicContact CG-CD 4.22Å; L87-K133 HydrophobicContact CG-CG 4.13Å; D88-K133 IonicContact OD1-NZ 2.82Å; D88-K133 PolarHBondContact OD1-NZ 2.87Å; F90-K133 HydrophobicContact CD1-CB 4.35Å; F90-K133 HydrophobicContact CD1-CG 4.15Å; F90-K133 HydrophobicContact CE1-CB 4.34Å; F90-K133 HydrophobicContact CE1-CG 4.47Å; L129-K133 PolarHBondContact O-N 3.26Å; F130-K133 PolarHBondContact O-N 3.45Å; T131-K133 PolarHBondContact O-N 2.7Å; K133-K135 VanDerWaalsContact C-N 3.34Å; K133-K135 PolarHBondContact O-N 3.47Å; K133-M136 WeakPolarHBondContact O-CB 3.38Å; K133-M136 PolarHBondContact O-N 2.9Å; K133-I137 WeakPolarHBondContact O-CG1 3.41Å; K133-I137 PolarHBondContact O-N 3.03Å
134A95.4Very high91.9Very high3 Ų353 Ų533%0.02528%0.284CS..Hα-helixtrans-58.7-43.5177.400000112.2F90 L108 T110 F130 T131 M136 I137 A138F90-A134 HydrophobicContact CE1-CB 4.12Å; F90-A134 HydrophobicContact CZ-CB 4.15Å; L108-A134 HydrophobicContact CD2-CB 4.04Å; L108-A134 WeakPolarHBondContact CD2-O 3.46Å; T110-A134 HydrophobicContact CG2-CB 4.37Å; F130-A134 WeakPolarHBondContact O-CB 3.43Å; F130-A134 PolarHBondContact O-N 3.12Å; T131-A134 PolarHBondContact O-N 3Å; A134-M136 PolarHBondContact O-N 3.3Å; A134-I137 PolarHBondContact O-N 3.04Å; A134-A138 PolarHBondContact O-N 3.3Å
135K95.1Very high91.8Very high63 Ų6354.3 Ų54.327%0.27429%0.293SS..Hα-helixtrans-62.6-39.7175.9-71.1173.769.6173.50113T110 T131 Q132 K133 A138 A139 V145 D147T110-K135 HydrophobicContact CG2-CG 3.95Å; T131-K135 HydrophobicContact CG2-CD 4.05Å; T131-K135 VanDerWaalsContact O-CG 3.31Å; T131-K135 WeakPolarHBondContact O-CG 3.45Å; T131-K135 PolarHBondContact O-N 2.9Å; Q132-K135 PolarHBondContact O-N 2.88Å; K133-K135 VanDerWaalsContact C-N 3.34Å; K133-K135 PolarHBondContact O-N 3.47Å; K135-A138 PolarHBondContact O-N 2.98Å; K135-A139 WeakPolarHBondContact O-CB 3.24Å; K135-A139 PolarHBondContact O-N 2.83Å; K135-V145 HydrophobicContact CG-CG2 4.13Å; K135-D147 HydrophobicContact CD-CB 4.4Å; K135-D147 WeakPolarHBondContact CD-OD2 3.32Å; K135-D147 WeakPolarHBondContact CE-OD2 3.46Å; K135-D147 IonicContact NZ-OD2 3.63Å; K135-D147 PolarHBondContact NZ-OD2 2.93Å
136M93.9Very high91.7Very high109 Ų10946.9 Ų46.954%0.53726%0.258SS..Hα-helixtrans-61.8-47.4174.5-72.4176.265.600111Q132 K133 A134 A138 A139 E140Q132-M136 WeakPolarHBondContact O-CG 3.4Å; Q132-M136 PolarHBondContact O-N 2.93Å; K133-M136 WeakPolarHBondContact O-CB 3.38Å; K133-M136 PolarHBondContact O-N 2.9Å; A134-M136 PolarHBondContact O-N 3.3Å; M136-A138 PolarHBondContact O-N 3.3Å; M136-A139 PolarHBondContact O-N 2.77Å; M136-E140 WeakPolarHBondContact O-CG 3.48Å; M136-E140 PolarHBondContact O-N 3.38Å
137I94Very high91.6Very high2 Ų244.9 Ų44.91%0.0125%0.253CS..Hα-helixtrans-60.9-44.8176.6-56.8-55.7000110.9I94 R95 I98 K133 A134 A139 E140 S141I94-I137 HydrophobicContact CG2-CB 4.31Å; I94-I137 HydrophobicContact CG2-CG2 4Å; R95-I137 HydrophobicContact CB-CG2 3.91Å; R95-I137 HydrophobicContact CG-CG2 4.47Å; R95-I137 VanDerWaalsContact CZ-CD1 3.48Å; I98-I137 HydrophobicContact CD1-CG2 3.98Å; K133-I137 WeakPolarHBondContact O-CG1 3.41Å; K133-I137 PolarHBondContact O-N 3.03Å; A134-I137 PolarHBondContact O-N 3.04Å; I137-A139 VanDerWaalsContact C-N 3.32Å; I137-A139 PolarHBondContact O-N 3.36Å; I137-E140 PolarHBondContact O-N 3.42Å; I137-S141 WeakPolarHBondContact O-CB 3.49Å; I137-S141 PolarHBondContact O-N 3.36Å; I137-S141 PolarHBondContact O-OG 2.9Å
138A90.5Very high91.6Very high1 Ų145.2 Ų45.21%0.00825%0.254CS..Hα-helixtrans-59.1-42.9178.300000112.6L108 A134 K135 M136 S141 G142 V143 V145L108-A138 HydrophobicContact CD2-CB 3.85Å; A134-A138 PolarHBondContact O-N 3.3Å; K135-A138 PolarHBondContact O-N 2.98Å; M136-A138 PolarHBondContact O-N 3.3Å; A138-S141 PolarHBondContact O-N 3.17Å; A138-G142 PolarHBondContact O-N 3.1Å; A138-V143 HydrophobicContact CB-CG2 3.72Å; A138-V143 PolarHBondContact O-N 2.65Å; A138-V143 VanDerWaalsContact O-N 3.17Å; A138-V145 HydrophobicContact CB-CB 3.84Å; A138-V145 HydrophobicContact CB-CG1 4.34Å; A138-V145 HydrophobicContact CB-CG2 4.18Å
139A82.4Confident91.4Very high82 Ų8242 Ų4268%0.67824%0.239SC*.Hα-helixtrans-66.2-38176.500000112.6K135 M136 I137K135-A139 WeakPolarHBondContact O-CB 3.24Å; K135-A139 PolarHBondContact O-N 2.83Å; M136-A139 PolarHBondContact O-N 2.77Å; I137-A139 VanDerWaalsContact C-N 3.32Å; I137-A139 PolarHBondContact O-N 3.36Å
140E89.6Confident91Very high117 Ų11741.9 Ų41.955%0.54724%0.235SC..Hα-helixtrans-65.8-40.6174.8-73.6171.1-169.800112.1R95 M136 I137R95-E140 IonicContact CZ-OE2 2.89Å; R95-E140 IonicContact NE-OE2 2.72Å; R95-E140 IonicContact NH2-OE2 3.67Å; R95-E140 PolarHBondContact NH2-OE2 2.72Å; M136-E140 WeakPolarHBondContact O-CG 3.48Å; M136-E140 PolarHBondContact O-N 3.38Å; I137-E140 PolarHBondContact O-N 3.42Å
141S89.1Confident90.4Very high33 Ų3344 Ų4423%0.23125%0.245CC..Hα-helixtrans-85.9-11.3-178.1-60.60000114.2I137 A138I137-S141 WeakPolarHBondContact O-CB 3.49Å; I137-S141 PolarHBondContact O-N 3.36Å; I137-S141 PolarHBondContact O-OG 2.9Å; A138-S141 PolarHBondContact O-N 3.17Å
142G85.2Confident90Very high57 Ų5744.2 Ų44.259%0.58825%0.246SC*.THydrogen-bonded Turntrans73.221.8179.800000115.1A138A138-G142 PolarHBondContact O-N 3.1Å
143V90.5Very high89.6Confident11 Ų1141.7 Ų41.77%0.06724%0.237CC..  trans-90.9159.1178.7-58.40000112I98 A103 V106 L108 A138I98-V143 HydrophobicContact CD1-CG2 4.12Å; I98-V143 HydrophobicContact CG2-CG1 3.61Å; I98-V143 HydrophobicContact CG2-CG2 4.49Å; A103-V143 HydrophobicContact CB-CG1 3.74Å; V106-V143 HydrophobicContact CB-CB 4.04Å; V106-V143 HydrophobicContact CB-CG1 3.74Å; V106-V143 HydrophobicContact CG1-CB 3.99Å; V106-V143 HydrophobicContact CG1-CG1 3.92Å; V106-V143 HydrophobicContact CG1-CG2 4.31Å; V106-V143 HydrophobicContact CG2-CG1 4.48Å; L108-V143 HydrophobicContact CB-CG2 4.4Å; A138-V143 HydrophobicContact CB-CG2 3.72Å; A138-V143 PolarHBondContact O-N 2.65Å; A138-V143 VanDerWaalsContact O-N 3.17Å
144N88.2Confident88.3Confident45 Ų4543.9 Ų43.924%0.24125%0.254CS..EExtended strand (participates in β ladder)trans-69.8147173-77.14.3000110.7V106 I107 L108 I189V106-N144 PolarHBondContact O-N 2.55Å; I107-N144 HydrophobicContact CG1-CB 4.42Å; L108-N144 PolarHBondContact N-O 3.33Å; N144-I189 WeakPolarHBondContact ND2-CD1 3.38Å; N144-I189 WeakPolarHBondContact ND2-CG1 3.31Å
145V91.3Very high87Confident53 Ų5345.9 Ų45.932%0.32126%0.261SS..EExtended strand (participates in β ladder)trans-135.9127.9-179.164.10000111.8L108 T110 K135 A138L108-V145 HydrophobicContact CB-CG2 4.48Å; L108-V145 CarbonylContact O-C 3.55Å; L108-V145 VanDerWaalsContact O-CA 3.26Å; L108-V145 WeakPolarHBondContact O-CA 3.35Å; L108-V145 WeakPolarHBondContact O-CG2 3.42Å; T110-V145 HydrophobicContact CG2-CG2 3.91Å; K135-V145 HydrophobicContact CG-CG2 4.13Å; A138-V145 HydrophobicContact CB-CB 3.84Å; A138-V145 HydrophobicContact CB-CG1 4.34Å; A138-V145 HydrophobicContact CB-CG2 4.18Å
146I90.3Very high85.8Confident1 Ų147 Ų471%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-100.4107.7170.8-60.3172.9000107.7I107 L108 L109 T110 L148 L181 I182 D185I107-I146 HydrophobicContact CG2-CD1 3.59Å; I107-I146 HydrophobicContact CG2-CG1 3.89Å; L108-I146 PolarHBondContact O-N 3.15Å; L109-I146 HydrophobicContact CD1-CB 3.66Å; L109-I146 HydrophobicContact CD1-CD1 4.49Å; L109-I146 HydrophobicContact CD1-CG2 3.53Å; T110-I146 PolarHBondContact N-O 3.24Å; T110-I146 PolarHBondContact OG1-O 3.49Å; I146-L148 VanDerWaalsContact C-N 3.26Å; I146-L148 PolarHBondContact O-N 3.16Å; I146-L181 HydrophobicContact CD1-CB 4.29Å; I146-L181 HydrophobicContact CG2-CB 4.16Å; I146-L181 HydrophobicContact CG2-CD1 3.97Å; I146-I182 HydrophobicContact CD1-CG1 3.98Å; I146-D185 HydrophobicContact CD1-CB 4.27Å; I146-D185 VanDerWaalsContact CG1-OD2 3.23Å; I146-D185 WeakPolarHBondContact CG1-OD2 3.49Å
147D90.1Very high85.2Confident23 Ų2347.4 Ų47.412%0.12327%0.273CS..  trans-77.377174.7-170.5-18.1000110.1T110 T131 K135 Y149 H150 H151T110-D147 WeakPolarHBondContact OG1-CA 3.43Å; T131-D147 WeakPolarHBondContact CG2-OD1 3.46Å; K135-D147 HydrophobicContact CD-CB 4.4Å; K135-D147 WeakPolarHBondContact CD-OD2 3.32Å; K135-D147 WeakPolarHBondContact CE-OD2 3.46Å; K135-D147 IonicContact NZ-OD2 3.63Å; K135-D147 PolarHBondContact NZ-OD2 2.93Å; D147-Y149 VanDerWaalsContact C-N 3.25Å; D147-Y149 PolarHBondContact O-N 2.82Å; D147-H150 HydrophobicContact CB-CB 4.05Å; D147-H150 PolarHBondContact O-N 3.01Å; D147-H150 WeakPolarHBondContact OD1-CB 3.16Å; D147-H150 PolarHBondContact OD1-N 2.98Å; D147-H151 WeakPolarHBondContact O-CB 3.39Å; D147-H151 PolarHBondContact O-CD2 2.81Å; D147-H151 VanDerWaalsContact O-CD2 3.22Å; D147-H151 PolarHBondContact O-N 3.27Å
148L93.1Very high84.8Confident6 Ų648.3 Ų48.33%0.03128%0.28CS..Hα-helixtrans-58.2-39.2-176.7-177.159.1000111.8L12 L109 T110 I146 H151 M152 L178L12-L148 HydrophobicContact CD2-CD2 3.63Å; L109-L148 HydrophobicContact CD1-CB 3.8Å; L109-L148 HydrophobicContact CD1-CD2 4.18Å; L109-L148 HydrophobicContact CD1-CG 4.41Å; L109-L148 HydrophobicContact CD2-CD2 4.29Å; L109-L148 HydrophobicContact CG-CB 4.38Å; L109-L148 HydrophobicContact CG-CD2 4.23Å; T110-L148 PolarHBondContact OG1-N 2.89Å; I146-L148 VanDerWaalsContact C-N 3.26Å; I146-L148 PolarHBondContact O-N 3.16Å; L148-H151 PolarHBondContact O-N 3.49Å; L148-M152 HydrophobicContact CD1-CG 3.98Å; L148-M152 HydrophobicContact CD1-SD 3.99Å; L148-M152 HydrophobicContact CD2-SD 4.35Å; L148-M152 HydrophobicContact CG-CG 4.29Å; L148-M152 HydrophobicContact CG-SD 3.79Å; L148-M152 WeakPolarHBondContact O-CB 3.42Å; L148-M152 VanDerWaalsContact O-CG 3.28Å; L148-M152 WeakPolarHBondContact O-CG 2.99Å; L148-M152 PolarHBondContact O-N 3.36Å; L148-L178 HydrophobicContact CD1-CD1 4.2Å
149Y89.4Confident84.9Confident20 Ų2051.1 Ų51.18%0.07830%0.295CS..Hα-helixtrans-59.6-50.4178.2-168.5-81.8000110.7T111 N124 Q127 Q128 D147 M152 T153T111-Y149 WeakPolarHBondContact O-CB 3.5Å; T111-Y149 PolarHBondContact O-N 3.06Å; T111-Y149 VanDerWaalsContact O-N 3.14Å; N124-Y149 HydrophobicContact CB-CE2 4.49Å; N124-Y149 WeakPolarHBondContact CB-OH 3.4Å; Q127-Y149 HydrophobicContact CB-CD2 4.15Å; Q127-Y149 HydrophobicContact CB-CE2 3.96Å; Q128-Y149 HydrophobicContact CG-CD1 3.9Å; Q128-Y149 HydrophobicContact CG-CD2 4.47Å; Q128-Y149 HydrophobicContact CG-CE1 3.45Å; Q128-Y149 VanDerWaalsContact CG-CE1 3.45Å; Q128-Y149 HydrophobicContact CG-CE2 4.08Å; Q128-Y149 HydrophobicContact CG-CG 4.39Å; Q128-Y149 PolarHBondContact NE2-OH 3.15Å; D147-Y149 VanDerWaalsContact C-N 3.25Å; D147-Y149 PolarHBondContact O-N 2.82Å; Y149-M152 PolarHBondContact O-N 2.8Å; Y149-T153 HydrophobicContact CD1-CG2 4.03Å; Y149-T153 HydrophobicContact CE1-CG2 3.62Å; Y149-T153 WeakPolarHBondContact O-CB 3.2Å; Y149-T153 WeakPolarHBondContact O-CG2 3.37Å; Y149-T153 PolarHBondContact O-N 3.03Å; Y149-T153 PolarHBondContact O-OG1 3.39Å
150H85Confident85.2Confident102 Ų10250.8 Ų50.847%0.47228%0.279SS..Hα-helixtrans-60.8-46.4176.9177.363.2000111.6D147 M152 T153 V154D147-H150 HydrophobicContact CB-CB 4.05Å; D147-H150 PolarHBondContact O-N 3.01Å; D147-H150 WeakPolarHBondContact OD1-CB 3.16Å; D147-H150 PolarHBondContact OD1-N 2.98Å; H150-M152 VanDerWaalsContact C-N 3.32Å; H150-M152 PolarHBondContact O-N 3.32Å; H150-T153 PolarHBondContact O-N 3.05Å; H150-T153 PolarHBondContact O-OG1 3.48Å; H150-V154 WeakPolarHBondContact O-CB 3.42Å; H150-V154 WeakPolarHBondContact O-CG1 3.48Å; H150-V154 PolarHBondContact O-N 3.02Å
151H82.9Confident85.3Confident49 Ų4946.2 Ų46.223%0.22726%0.257CS..Hα-helixtrans-59.8-38.8179.8-86-57.8000113.1D147 L148 F177 L181D147-H151 WeakPolarHBondContact O-CB 3.39Å; D147-H151 PolarHBondContact O-CD2 2.81Å; D147-H151 VanDerWaalsContact O-CD2 3.22Å; D147-H151 PolarHBondContact O-N 3.27Å; L148-H151 PolarHBondContact O-N 3.49Å; H151-F177 HydrophobicContact CB-CE1 3.72Å; H151-F177 HydrophobicContact CB-CZ 3.72Å; H151-L181 HydrophobicContact CB-CD1 4.08Å
152M86.3Confident85.6Confident9 Ų944.8 Ų44.84%0.04425%0.247CC..Hα-helixtrans-74.8-35.6176.2-67.9171.981.500112.6Y113 L148 Y149 H150 P158 F161 V162Y113-M152 PolarHBondContact N-SD 3.32Å; Y113-M152 VanDerWaalsContact N-SD 3.44Å; L148-M152 HydrophobicContact CD1-CG 3.98Å; L148-M152 HydrophobicContact CD1-SD 3.99Å; L148-M152 HydrophobicContact CD2-SD 4.35Å; L148-M152 HydrophobicContact CG-CG 4.29Å; L148-M152 HydrophobicContact CG-SD 3.79Å; L148-M152 WeakPolarHBondContact O-CB 3.42Å; L148-M152 VanDerWaalsContact O-CG 3.28Å; L148-M152 WeakPolarHBondContact O-CG 2.99Å; L148-M152 PolarHBondContact O-N 3.36Å; Y149-M152 PolarHBondContact O-N 2.8Å; H150-M152 VanDerWaalsContact C-N 3.32Å; H150-M152 PolarHBondContact O-N 3.32Å; M152-P158 WeakPolarHBondContact O-CB 3.22Å; M152-F161 HydrophobicContact CB-CD2 4.01Å; M152-F161 HydrophobicContact CE-CB 3.52Å; M152-F161 HydrophobicContact CG-CB 4.37Å; M152-F161 HydrophobicContact CG-CD2 4.13Å; M152-F161 HydrophobicContact CG-CG 4.45Å; M152-V162 HydrophobicContact CE-CG1 3.63Å
153T83.5Confident86.1Confident48 Ų4842.6 Ų42.629%0.29422%0.222SC..Hα-helixtrans-92.9-17.4-17155.60000115.1Y113 Y149 H150 Y155Y113-T153 HydrophobicContact CD2-CG2 3.64Å; Y113-T153 HydrophobicContact CG-CG2 4.1Å; Y149-T153 HydrophobicContact CD1-CG2 4.03Å; Y149-T153 HydrophobicContact CE1-CG2 3.62Å; Y149-T153 WeakPolarHBondContact O-CB 3.2Å; Y149-T153 WeakPolarHBondContact O-CG2 3.37Å; Y149-T153 PolarHBondContact O-N 3.03Å; Y149-T153 PolarHBondContact O-OG1 3.39Å; H150-T153 PolarHBondContact O-N 3.05Å; H150-T153 PolarHBondContact O-OG1 3.48Å; T153-Y155 PolarHBondContact O-N 2.92Å
154V68Low86.2Confident88 Ų8848 Ų4853%0.53326%0.255SS..SBendtrans-66.9-23.7168.574.10000111.3H150H150-V154 WeakPolarHBondContact O-CB 3.42Å; H150-V154 WeakPolarHBondContact O-CG1 3.48Å; H150-V154 PolarHBondContact O-N 3.02Å
155Y69.1Low86.4Confident44 Ų4451.9 Ų51.917%0.17327%0.27CS..SBendtrans-73.7135.1172.3-177.6-119.4000110.8T153 K157 P158 E160 F161 Y561T153-Y155 PolarHBondContact O-N 2.92Å; Y155-K157 HydrophobicContact CD1-CB 4.12Å; Y155-K157 VanDerWaalsContact CD1-O 3.25Å; Y155-K157 WeakPolarHBondContact CD1-O 3.36Å; Y155-K157 HydrophobicContact CE1-CB 3.6Å; Y155-K157 WeakPolarHBondContact CE1-O 3.14Å; Y155-K157 PolarHBondContact O-N 3.2Å; Y155-P158 WeakPolarHBondContact O-CD 3.47Å; Y155-E160 HydrophobicContact CE1-CB 4.29Å; Y155-E160 WeakPolarHBondContact CE1-OE2 3.41Å; Y155-E160 PolarHBondContact OH-OE2 2.97Å; Y155-F161 HydrophobicContact CD1-CD2 4.08Å; Y155-F161 AromaticContact CD1-CE2 3.36Å; Y155-F161 HydrophobicContact CD1-CE2 3.36Å; Y155-F161 AromaticContact CD1-CZ 3.77Å; Y155-F161 HydrophobicContact CD1-CZ 3.77Å; Y155-F161 HydrophobicContact CE1-CE2 4.23Å; Y155-F161 HydrophobicContact CE1-CZ 4.32Å; Y155-F161 AromaticContact CG-CE2 3.66Å; Y155-F161 HydrophobicContact CG-CE2 3.66Å; Y155-F161 AromaticContact CG-CZ 3.95Å; Y155-F161 HydrophobicContact CG-CZ 3.95Å; Y155-Y561 HydrophobicContact CD2-CD2 4.1Å; Y155-Y561 AromaticContact CD2-CE2 3.51Å; Y155-Y561 HydrophobicContact CD2-CE2 3.51Å; Y155-Y561 AromaticContact CE2-CE2 3.59Å; Y155-Y561 HydrophobicContact CE2-CE2 3.59Å
156P69.8Low86.4Confident86 Ų8650.6 Ų50.656%0.55826%0.261SS*.SBendtrans-62.4-18-176.1-2635.1000115.8Y561P156-Y561 HydrophobicContact CG-CD1 4.44Å; P156-Y561 HydrophobicContact CG-CE1 3.66Å
157K81.4Confident86.6Confident118 Ų11850.6 Ų50.651%0.51326%0.261SS..  trans-12965.4-177.9-59.2178.2-177.7172.30111.2Y155 N159 E160Y155-K157 HydrophobicContact CD1-CB 4.12Å; Y155-K157 VanDerWaalsContact CD1-O 3.25Å; Y155-K157 WeakPolarHBondContact CD1-O 3.36Å; Y155-K157 HydrophobicContact CE1-CB 3.6Å; Y155-K157 WeakPolarHBondContact CE1-O 3.14Å; Y155-K157 PolarHBondContact O-N 3.2Å; K157-N159 PolarHBondContact O-N 3.43Å; K157-E160 HydrophobicContact CB-CG 4.11Å; K157-E160 HydrophobicContact CD-CG 4.47Å; K157-E160 WeakPolarHBondContact CD-OE1 3.47Å; K157-E160 IonicContact NZ-OE1 3.81Å; K157-E160 PolarHBondContact NZ-OE1 3.48Å; K157-E160 PolarHBondContact O-N 3.05Å
158P85.8Confident86.8Confident22 Ų2251.2 Ų51.214%0.14326%0.264CS..G310 helixtrans-58-23.2-176.326.4-36.1000113.1Y113 M152 Y155 E160 F161Y113-P158 HydrophobicContact CD1-CB 3.76Å; Y113-P158 HydrophobicContact CD1-CG 4.42Å; Y113-P158 HydrophobicContact CD2-CB 4.21Å; Y113-P158 HydrophobicContact CD2-CG 4.46Å; Y113-P158 HydrophobicContact CE1-CB 3.8Å; Y113-P158 HydrophobicContact CE1-CG 3.99Å; Y113-P158 HydrophobicContact CE2-CB 4.24Å; Y113-P158 HydrophobicContact CE2-CG 4.04Å; Y113-P158 HydrophobicContact CG-CB 3.95Å; M152-P158 WeakPolarHBondContact O-CB 3.22Å; Y155-P158 WeakPolarHBondContact O-CD 3.47Å; P158-E160 PolarHBondContact O-N 3.28Å; P158-F161 PolarHBondContact O-N 3.41Å; P158-F161 VanDerWaalsContact O-N 3.12Å
159N91.6Very high86.9Confident60 Ų6052.3 Ų52.332%0.32127%0.269SS..G310 helixtrans-60.5-24.5175-67.6-9.8000113.8Y113 N115 K157 F161 V162Y113-N159 WeakPolarHBondContact CE1-OD1 3.21Å; Y113-N159 PolarHBondContact OH-OD1 3.46Å; N115-N159 VanDerWaalsContact ND2-CG 3.34Å; N115-N159 PolarHBondContact ND2-OD1 2.87Å; K157-N159 PolarHBondContact O-N 3.43Å; N159-F161 PolarHBondContact O-N 3.26Å; N159-V162 PolarHBondContact O-N 3.04Å
160E89.4Confident87.1Confident75 Ų7551.8 Ų51.835%0.3527%0.268SS..G310 helixtrans-70.5-21.5176.8-69.1178.4178.700112.2Y155 K157 P158 V162 S171Y155-E160 HydrophobicContact CE1-CB 4.29Å; Y155-E160 WeakPolarHBondContact CE1-OE2 3.41Å; Y155-E160 PolarHBondContact OH-OE2 2.97Å; K157-E160 HydrophobicContact CB-CG 4.11Å; K157-E160 HydrophobicContact CD-CG 4.47Å; K157-E160 WeakPolarHBondContact CD-OE1 3.47Å; K157-E160 IonicContact NZ-OE1 3.81Å; K157-E160 PolarHBondContact NZ-OE1 3.48Å; K157-E160 PolarHBondContact O-N 3.05Å; P158-E160 PolarHBondContact O-N 3.28Å; E160-V162 VanDerWaalsContact C-N 3.35Å; E160-S171 WeakPolarHBondContact O-CB 3.17Å; E160-S171 PolarHBondContact O-OG 3.45Å
161F91.9Very high87.6Confident20 Ų2047.5 Ų47.59%0.08825%0.249CC..G310 helixtrans-85-4.8178.3-63-56.6000114.1M152 Y155 P158 N159 P170 S171 F177M152-F161 HydrophobicContact CB-CD2 4.01Å; M152-F161 HydrophobicContact CE-CB 3.52Å; M152-F161 HydrophobicContact CG-CB 4.37Å; M152-F161 HydrophobicContact CG-CD2 4.13Å; M152-F161 HydrophobicContact CG-CG 4.45Å; Y155-F161 HydrophobicContact CD1-CD2 4.08Å; Y155-F161 AromaticContact CD1-CE2 3.36Å; Y155-F161 HydrophobicContact CD1-CE2 3.36Å; Y155-F161 AromaticContact CD1-CZ 3.77Å; Y155-F161 HydrophobicContact CD1-CZ 3.77Å; Y155-F161 HydrophobicContact CE1-CE2 4.23Å; Y155-F161 HydrophobicContact CE1-CZ 4.32Å; Y155-F161 AromaticContact CG-CE2 3.66Å; Y155-F161 HydrophobicContact CG-CE2 3.66Å; Y155-F161 AromaticContact CG-CZ 3.95Å; Y155-F161 HydrophobicContact CG-CZ 3.95Å; P158-F161 PolarHBondContact O-N 3.41Å; P158-F161 VanDerWaalsContact O-N 3.12Å; N159-F161 PolarHBondContact O-N 3.26Å; F161-P170 CarbonylContact O-C 3.52Å; F161-P170 WeakPolarHBondContact O-CA 3.42Å; F161-S171 VanDerWaalsContact C-OG 3.26Å; F161-S171 WeakPolarHBondContact CA-OG 3.43Å; F161-S171 PolarHBondContact O-N 2.95Å; F161-S171 PolarHBondContact O-OG 3.29Å; F161-F177 HydrophobicContact CD1-CB 4.39Å; F161-F177 HydrophobicContact CD1-CD1 4.4Å; F161-F177 HydrophobicContact CE1-CB 4.08Å; F161-F177 HydrophobicContact CE1-CD1 4.11Å; F161-F177 HydrophobicContact CE1-CG 4.04Å; F161-F177 HydrophobicContact CZ-CD1 4.36Å; F161-F177 HydrophobicContact CZ-CG 4.49Å
162V94.6Very high88Confident4 Ų448.1 Ų48.12%0.02425%0.254CS..BIsolated β-bridgetrans-123147.6179.7-65.10000111N115 M152 N159 E160 H169N115-V162 HydrophobicContact CB-CG2 3.66Å; M152-V162 HydrophobicContact CE-CG1 3.63Å; N159-V162 PolarHBondContact O-N 3.04Å; E160-V162 VanDerWaalsContact C-N 3.35Å; V162-H169 CarbonylContact C-O 3.1Å; V162-H169 WeakPolarHBondContact CA-O 3.47Å
163Q95.2Very high88.1Confident10 Ų1052.4 Ų52.45%0.04728%0.275CS..  trans-66.9137.7-179.1-72.1171.465.400111V16 F165 D166 G167 H169 P170V16-Q163 PolarHBondContact O-NE2 3.29Å; Q163-F165 HydrophobicContact CB-CB 4.17Å; Q163-F165 PolarHBondContact O-N 2.9Å; Q163-F165 VanDerWaalsContact O-N 3.15Å; Q163-D166 PolarHBondContact O-N 2.91Å; Q163-G167 WeakPolarHBondContact O-CA 3.44Å; Q163-G167 PolarHBondContact O-N 2.9Å; Q163-H169 PolarHBondContact N-O 3.3Å; Q163-P170 VanDerWaalsContact CG-O 3.32Å; Q163-P170 WeakPolarHBondContact CG-O 3.21Å; Q163-P170 PolarHBondContact NE2-O 2.92Å
164T92.6Very high88.4Confident125 Ų12550.4 Ų50.477%0.76726%0.263SS*.THydrogen-bonded Turntrans-65.1-16.317055.60000112.8I118I118-T164 HydrophobicContact CD1-CG2 4.43Å
165F92.1Very high89.7Confident126 Ų12646.2 Ų46.255%0.55324%0.238SC*.THydrogen-bonded Turntrans-63.9-41.7178.8-179.7-101.4000112.8Q163Q163-F165 HydrophobicContact CB-CB 4.17Å; Q163-F165 PolarHBondContact O-N 2.9Å; Q163-F165 VanDerWaalsContact O-N 3.15Å
166D92.9Very high90.6Very high27 Ų2745.8 Ų45.814%0.14424%0.237CC..THydrogen-bonded Turntrans-139.5-11.4-176.559.837.1000115.5Y119 Q163 I168 H169Y119-D166 WeakPolarHBondContact CB-O 3.45Å; Q163-D166 PolarHBondContact O-N 2.91Å; D166-I168 PolarHBondContact O-N 2.98Å; D166-I168 PolarHBondContact OD1-N 3Å; D166-H169 PolarHBondContact OD1-N 3.35Å; D166-H169 IonicContact OD1-ND1 3.05Å; D166-H169 IonicContact OD2-CE1 2.71Å; D166-H169 IonicContact OD2-CG 3.12Å; D166-H169 IonicContact OD2-ND1 3.36Å; D166-H169 PolarHBondContact OD2-ND1 2.97Å
167G94.5Very high91.5Very high0 Ų042.9 Ų42.90%022%0.216CC..SBendtrans68.79.9-179.900000115.1N115 Q163N115-G167 PolarHBondContact N-O 3.32Å; Q163-G167 WeakPolarHBondContact O-CA 3.44Å; Q163-G167 PolarHBondContact O-N 2.9Å
168I94.3Very high92Very high37 Ų3737.3 Ų37.319%0.1919%0.192CC..SBendtrans-121.8-51.3-176.6-58.9167000110.9T77 L81 I114 Y119 D166T77-I168 HydrophobicContact CG2-CG2 4.01Å; L81-I168 HydrophobicContact CD1-CD1 3.85Å; L81-I168 HydrophobicContact CD1-CG1 4.47Å; L81-I168 HydrophobicContact CD1-CG2 4.43Å; I114-I168 HydrophobicContact CG2-CG1 4.18Å; Y119-I168 HydrophobicContact CD1-CD1 3.81Å; Y119-I168 HydrophobicContact CD1-CG1 4.15Å; Y119-I168 HydrophobicContact CD2-CD1 3.75Å; Y119-I168 HydrophobicContact CD2-CG1 4.42Å; Y119-I168 HydrophobicContact CE1-CD1 3.94Å; Y119-I168 HydrophobicContact CE2-CD1 3.85Å; Y119-I168 HydrophobicContact CG-CD1 3.73Å; Y119-I168 HydrophobicContact CG-CG1 4Å; D166-I168 PolarHBondContact O-N 2.98Å; D166-I168 PolarHBondContact OD1-N 3Å
169H94.7Very high92.4Very high29 Ų2936.2 Ų36.213%0.13419%0.185CC..SBendtrans-78.3145.7-176.5-61.8102000110.5S11 V162 Q163 D166S11-H169 WeakPolarHBondContact CB-NE2 3.37Å; V162-H169 CarbonylContact C-O 3.1Å; V162-H169 WeakPolarHBondContact CA-O 3.47Å; Q163-H169 PolarHBondContact N-O 3.3Å; D166-H169 PolarHBondContact OD1-N 3.35Å; D166-H169 IonicContact OD1-ND1 3.05Å; D166-H169 IonicContact OD2-CE1 2.71Å; D166-H169 IonicContact OD2-CG 3.12Å; D166-H169 IonicContact OD2-ND1 3.36Å; D166-H169 PolarHBondContact OD2-ND1 2.97Å
170P94.5Very high92Very high9 Ų934 Ų346%0.05818%0.175CC..BIsolated β-bridgetrans-59.7144-179.4-21.930.3000113.2L12 F161 Q163 Y175L12-P170 HydrophobicContact CD1-CG 3.26Å; F161-P170 CarbonylContact O-C 3.52Å; F161-P170 WeakPolarHBondContact O-CA 3.42Å; Q163-P170 VanDerWaalsContact CG-O 3.32Å; Q163-P170 WeakPolarHBondContact CG-O 3.21Å; Q163-P170 PolarHBondContact NE2-O 2.92Å; P170-Y175 HydrophobicContact CB-CD1 4.19Å; P170-Y175 HydrophobicContact CB-CD2 3.82Å; P170-Y175 HydrophobicContact CB-CE1 4.21Å; P170-Y175 HydrophobicContact CB-CE2 3.85Å; P170-Y175 HydrophobicContact CB-CG 3.99Å; P170-Y175 HydrophobicContact CG-CD1 4.29Å; P170-Y175 HydrophobicContact CG-CD2 4.49Å; P170-Y175 HydrophobicContact CG-CE1 3.91Å; P170-Y175 HydrophobicContact CG-CE2 4.14Å; P170-Y175 WeakPolarHBondContact O-CD2 3.42Å; P170-Y175 WeakPolarHBondContact O-CE2 3.42Å
171S94.3Very high92Very high11 Ų1130.9 Ų30.98%0.07716%0.16CC..  trans-69.3-179.1167.259.30000111.2E160 F161 E173 G174 Y175E160-S171 WeakPolarHBondContact O-CB 3.17Å; E160-S171 PolarHBondContact O-OG 3.45Å; F161-S171 VanDerWaalsContact C-OG 3.26Å; F161-S171 WeakPolarHBondContact CA-OG 3.43Å; F161-S171 PolarHBondContact O-N 2.95Å; F161-S171 PolarHBondContact O-OG 3.29Å; S171-E173 VanDerWaalsContact C-N 3.3Å; S171-E173 PolarHBondContact O-N 3.23Å; S171-G174 PolarHBondContact O-N 3.35Å; S171-G174 PolarHBondContact OG-N 3.2Å; S171-Y175 WeakPolarHBondContact O-CD2 3.23Å; S171-Y175 PolarHBondContact O-N 3.48Å
172D92.2Very high92.1Very high62 Ų6229.9 Ų29.933%0.33216%0.156SC..Hα-helixtrans-57.4-47170.4-179.160.1000110.8M17 I24 Y28 G174 Y175 H176M17-D172 HydrophobicContact CE-CB 4.5Å; I24-D172 HydrophobicContact CD1-CB 4.38Å; I24-D172 WeakPolarHBondContact CD1-OD1 3.47Å; Y28-D172 VanDerWaalsContact OH-CG 3.26Å; Y28-D172 PolarHBondContact OH-OD1 3.13Å; Y28-D172 PolarHBondContact OH-OD2 3.09Å; D172-G174 VanDerWaalsContact C-N 3.31Å; D172-G174 PolarHBondContact O-N 2.95Å; D172-Y175 PolarHBondContact O-N 3.38Å; D172-H176 PolarHBondContact O-N 2.68Å
173E87Confident91.8Very high100 Ų10029.7 Ų29.747%0.46716%0.155SC..Hα-helixtrans-61.7-38.4174.1-67.277.3-171.900112.2S171 F177S171-E173 VanDerWaalsContact C-N 3.3Å; S171-E173 PolarHBondContact O-N 3.23Å; E173-F177 VanDerWaalsContact O-CB 3.25Å; E173-F177 WeakPolarHBondContact O-CB 3.49Å; E173-F177 PolarHBondContact O-N 3.32Å
174G90.8Very high91.1Very high5 Ų533.5 Ų33.55%0.05217%0.169CC..Hα-helixtrans-64.1-41.4175.300000112.9S171 D172 L178S171-G174 PolarHBondContact O-N 3.35Å; S171-G174 PolarHBondContact OG-N 3.2Å; D172-G174 VanDerWaalsContact C-N 3.31Å; D172-G174 PolarHBondContact O-N 2.95Å; G174-L178 WeakPolarHBondContact O-CB 3.1Å; G174-L178 PolarHBondContact O-N 3.45Å
175Y95Very high90.7Very high0 Ų028 Ų280%013%0.134CC..Hα-helixtrans-72.1-37.6176.3-85-58.8000112.8L12 G15 V16 M17 I24 L25 P170 S171 D172 L178 G179L12-Y175 HydrophobicContact CD1-CE1 4.42Å; L12-Y175 WeakPolarHBondContact O-CE1 3.37Å; L12-Y175 PolarHBondContact O-OH 3.03Å; G15-Y175 WeakPolarHBondContact CA-OH 3.28Å; V16-Y175 PolarHBondContact N-OH 3.32Å; M17-Y175 HydrophobicContact CG-CD2 4.4Å; M17-Y175 HydrophobicContact CG-CE2 4.28Å; M17-Y175 HydrophobicContact SD-CD2 3.73Å; M17-Y175 HydrophobicContact SD-CE2 3.82Å; I24-Y175 HydrophobicContact CD1-CD2 4.07Å; I24-Y175 HydrophobicContact CD1-CG 4.42Å; I24-Y175 HydrophobicContact CG1-CD2 4.45Å; I24-Y175 HydrophobicContact CG1-CG 4.4Å; I24-Y175 HydrophobicContact CG2-CD1 4.18Å; I24-Y175 HydrophobicContact CG2-CD2 3.52Å; I24-Y175 HydrophobicContact CG2-CE1 4.49Å; I24-Y175 HydrophobicContact CG2-CE2 3.88Å; I24-Y175 HydrophobicContact CG2-CG 3.7Å; L25-Y175 HydrophobicContact CB-CD1 3.77Å; L25-Y175 HydrophobicContact CB-CE1 4.09Å; L25-Y175 HydrophobicContact CD1-CD1 4.18Å; L25-Y175 HydrophobicContact CD2-CE1 4.47Å; L25-Y175 HydrophobicContact CG-CD1 4.38Å; P170-Y175 HydrophobicContact CB-CD1 4.19Å; P170-Y175 HydrophobicContact CB-CD2 3.82Å; P170-Y175 HydrophobicContact CB-CE1 4.21Å; P170-Y175 HydrophobicContact CB-CE2 3.85Å; P170-Y175 HydrophobicContact CB-CG 3.99Å; P170-Y175 HydrophobicContact CG-CD1 4.29Å; P170-Y175 HydrophobicContact CG-CD2 4.49Å; P170-Y175 HydrophobicContact CG-CE1 3.91Å; P170-Y175 HydrophobicContact CG-CE2 4.14Å; P170-Y175 WeakPolarHBondContact O-CD2 3.42Å; P170-Y175 WeakPolarHBondContact O-CE2 3.42Å; S171-Y175 WeakPolarHBondContact O-CD2 3.23Å; S171-Y175 PolarHBondContact O-N 3.48Å; D172-Y175 PolarHBondContact O-N 3.38Å; Y175-L178 PolarHBondContact O-N 3.26Å; Y175-G179 PolarHBondContact O-N 3.27Å
176H89Confident90.5Very high35 Ų3522 Ų2216%0.16211%0.108CC..Hα-helixtrans-60.3-49.2172.6-177.8-153.1000110.8Y28 E32 D172 L178 G179 A180Y28-H176 HydrophobicContact CD1-CB 3.92Å; Y28-H176 AromaticContact CD1-CD2 3.46Å; Y28-H176 VanDerWaalsContact CD1-CD2 3.46Å; Y28-H176 WeakPolarHBondContact CD1-CD2 3.41Å; Y28-H176 AromaticContact CD1-CG 3.85Å; Y28-H176 VanDerWaalsContact CD2-CA 3.48Å; Y28-H176 HydrophobicContact CD2-CB 4.03Å; Y28-H176 HydrophobicContact CE1-CB 3.74Å; Y28-H176 AromaticContact CE1-CD2 3.8Å; Y28-H176 AromaticContact CE1-CG 3.77Å; Y28-H176 HydrophobicContact CE2-CB 3.84Å; Y28-H176 HydrophobicContact CG-CB 4.08Å; E32-H176 IonicContact OE1-CD2 3.33Å; E32-H176 IonicContact OE1-CE1 2.68Å; E32-H176 IonicContact OE1-NE2 3.49Å; E32-H176 PolarHBondContact OE1-NE2 2.94Å; D172-H176 PolarHBondContact O-N 2.68Å; H176-L178 PolarHBondContact O-N 3.33Å; H176-G179 PolarHBondContact O-N 2.78Å; H176-A180 PolarHBondContact O-N 2.91Å
177F87.2Confident89.8Confident25 Ų2523.9 Ų23.911%0.1112%0.115CC..Hα-helixtrans-59.5-45.2177.6179.5-117.7000112.5H151 F161 E173 A180 L181H151-F177 HydrophobicContact CB-CE1 3.72Å; H151-F177 HydrophobicContact CB-CZ 3.72Å; F161-F177 HydrophobicContact CD1-CB 4.39Å; F161-F177 HydrophobicContact CD1-CD1 4.4Å; F161-F177 HydrophobicContact CE1-CB 4.08Å; F161-F177 HydrophobicContact CE1-CD1 4.11Å; F161-F177 HydrophobicContact CE1-CG 4.04Å; F161-F177 HydrophobicContact CZ-CD1 4.36Å; F161-F177 HydrophobicContact CZ-CG 4.49Å; E173-F177 VanDerWaalsContact O-CB 3.25Å; E173-F177 WeakPolarHBondContact O-CB 3.49Å; E173-F177 PolarHBondContact O-N 3.32Å; F177-A180 PolarHBondContact O-N 2.8Å; F177-L181 HydrophobicContact CD1-CD1 4.12Å; F177-L181 HydrophobicContact CE1-CD1 3.69Å; F177-L181 HydrophobicContact CE2-CD1 4.29Å; F177-L181 HydrophobicContact CE2-CG 4.38Å; F177-L181 HydrophobicContact CZ-CD1 3.8Å; F177-L181 HydrophobicContact CZ-CD2 4.5Å; F177-L181 HydrophobicContact CZ-CG 4.35Å; F177-L181 WeakPolarHBondContact O-CG 3.43Å; F177-L181 PolarHBondContact O-N 2.89Å; F177-L181 VanDerWaalsContact O-N 3.1Å
178L93.3Very high88.4Confident1 Ų129 Ų291%0.00514%0.139CC..Hα-helixtrans-63.2-43.8176.817758.5000112.2L12 L25 L109 L148 G174 Y175 H176 A180 L181 I182L12-L178 HydrophobicContact CD1-CD2 3.79Å; L12-L178 HydrophobicContact CD2-CD2 4.35Å; L12-L178 HydrophobicContact CG-CD2 3.98Å; L25-L178 HydrophobicContact CD1-CB 4.3Å; L25-L178 HydrophobicContact CD1-CD2 4Å; L25-L178 HydrophobicContact CD1-CG 3.9Å; L25-L178 HydrophobicContact CD2-CD2 4.2Å; L109-L178 HydrophobicContact CD1-CD1 3.64Å; L109-L178 HydrophobicContact CD2-CD1 3.57Å; L109-L178 HydrophobicContact CD2-CD2 4.13Å; L109-L178 HydrophobicContact CD2-CG 4.46Å; L109-L178 HydrophobicContact CG-CD1 4.26Å; L148-L178 HydrophobicContact CD1-CD1 4.2Å; G174-L178 WeakPolarHBondContact O-CB 3.1Å; G174-L178 PolarHBondContact O-N 3.45Å; Y175-L178 PolarHBondContact O-N 3.26Å; H176-L178 PolarHBondContact O-N 3.33Å; L178-A180 VanDerWaalsContact C-N 3.33Å; L178-A180 PolarHBondContact O-N 2.83Å; L178-L181 PolarHBondContact O-N 3.36Å; L178-I182 HydrophobicContact CD1-CD1 3.96Å; L178-I182 HydrophobicContact CD1-CG1 4.25Å; L178-I182 HydrophobicContact CG-CD1 4.01Å; L178-I182 WeakPolarHBondContact O-CG1 2.94Å; L178-I182 PolarHBondContact O-N 2.75Å
179G92.5Very high87.4Confident0 Ų027.8 Ų27.80%013%0.133CC..Hα-helixtrans-58.8-44.2177.200000112.2Y175 H176 L181 I182 A183Y175-G179 PolarHBondContact O-N 3.27Å; H176-G179 PolarHBondContact O-N 2.78Å; G179-L181 PolarHBondContact O-N 3.08Å; G179-I182 PolarHBondContact O-N 3.32Å; G179-A183 WeakPolarHBondContact O-CB 3.44Å; G179-A183 PolarHBondContact O-N 2.8Å
180A83.2Confident86.1Confident13 Ų1327.7 Ų27.711%0.10713%0.133CC..Hα-helixtrans-63.1-40.2176.600000112.9E32 H176 F177 L178 R184E32-A180 HydrophobicContact CG-CB 4.13Å; H176-A180 PolarHBondContact O-N 2.91Å; F177-A180 PolarHBondContact O-N 2.8Å; L178-A180 VanDerWaalsContact C-N 3.33Å; L178-A180 PolarHBondContact O-N 2.83Å; A180-R184 VanDerWaalsContact O-CB 3.32Å; A180-R184 WeakPolarHBondContact O-CB 3.44Å; A180-R184 PolarHBondContact O-N 2.82Å
181L89.8Confident84.4Confident9 Ų932.1 Ų32.15%0.04716%0.156CC..Hα-helixtrans-63.8-44.9176.3-70.1173.1000111.9I146 H151 F177 L178 G179 R184 D185I146-L181 HydrophobicContact CD1-CB 4.29Å; I146-L181 HydrophobicContact CG2-CB 4.16Å; I146-L181 HydrophobicContact CG2-CD1 3.97Å; H151-L181 HydrophobicContact CB-CD1 4.08Å; F177-L181 HydrophobicContact CD1-CD1 4.12Å; F177-L181 HydrophobicContact CE1-CD1 3.69Å; F177-L181 HydrophobicContact CE2-CD1 4.29Å; F177-L181 HydrophobicContact CE2-CG 4.38Å; F177-L181 HydrophobicContact CZ-CD1 3.8Å; F177-L181 HydrophobicContact CZ-CD2 4.5Å; F177-L181 HydrophobicContact CZ-CG 4.35Å; F177-L181 WeakPolarHBondContact O-CG 3.43Å; F177-L181 PolarHBondContact O-N 2.89Å; F177-L181 VanDerWaalsContact O-N 3.1Å; L178-L181 PolarHBondContact O-N 3.36Å; G179-L181 PolarHBondContact O-N 3.08Å; L181-R184 PolarHBondContact O-N 3.46Å; L181-D185 PolarHBondContact O-N 3.24Å; L181-D185 VanDerWaalsContact O-N 3.08Å
182I93.8Very high82.6Confident0 Ų035.4 Ų35.40%018%0.184CC..Hα-helixtrans-63.7-48177.8-68.2167.6000110.5L25 I29 V72 I146 L178 G179 R184 D185 I186L25-I182 HydrophobicContact CD1-CD1 4.38Å; I29-I182 HydrophobicContact CD1-CB 4.39Å; I29-I182 HydrophobicContact CD1-CD1 3.93Å; I29-I182 HydrophobicContact CD1-CG2 4.04Å; I29-I182 HydrophobicContact CG1-CB 4.31Å; I29-I182 HydrophobicContact CG1-CD1 4.47Å; I29-I182 HydrophobicContact CG1-CG2 4.24Å; I29-I182 HydrophobicContact CG2-CG2 4.42Å; V72-I182 HydrophobicContact CG1-CD1 4.1Å; V72-I182 HydrophobicContact CG1-CG1 4.38Å; V72-I182 HydrophobicContact CG2-CG2 3.85Å; I146-I182 HydrophobicContact CD1-CG1 3.98Å; L178-I182 HydrophobicContact CD1-CD1 3.96Å; L178-I182 HydrophobicContact CD1-CG1 4.25Å; L178-I182 HydrophobicContact CG-CD1 4.01Å; L178-I182 WeakPolarHBondContact O-CG1 2.94Å; L178-I182 PolarHBondContact O-N 2.75Å; G179-I182 PolarHBondContact O-N 3.32Å; I182-R184 VanDerWaalsContact C-N 3.31Å; I182-R184 PolarHBondContact O-N 3.47Å; I182-D185 PolarHBondContact O-N 2.81Å; I182-I186 HydrophobicContact CG2-CD1 3.88Å; I182-I186 HydrophobicContact CG2-CG1 4.49Å; I182-I186 WeakPolarHBondContact O-CG1 3.4Å; I182-I186 PolarHBondContact O-N 2.92Å
183A88.7Confident80.7Confident0 Ų037.2 Ų37.20%019%0.19CC..Hα-helixtrans-60.4-40.8179.700000112.1E32 L33 M36 G179 I186 K187E32-A183 HydrophobicContact CB-CB 3.75Å; L33-A183 HydrophobicContact CD2-CB 3.95Å; L33-A183 HydrophobicContact CG-CB 3.78Å; M36-A183 HydrophobicContact CE-CB 3.5Å; M36-A183 VanDerWaalsContact CE-CB 3.5Å; G179-A183 WeakPolarHBondContact O-CB 3.44Å; G179-A183 PolarHBondContact O-N 2.8Å; A183-I186 PolarHBondContact O-N 2.8Å; A183-K187 WeakPolarHBondContact O-CB 3.33Å; A183-K187 PolarHBondContact O-N 3.24Å
184R80.9Confident78.5Confident90 Ų9034.3 Ų34.334%0.3419%0.187SC..Hα-helixtrans-61.8-48.1175.2-175-160.168.6-159.4-3.2111.8A180 L181 I182 I186 K187 E188A180-R184 VanDerWaalsContact O-CB 3.32Å; A180-R184 WeakPolarHBondContact O-CB 3.44Å; A180-R184 PolarHBondContact O-N 2.82Å; L181-R184 PolarHBondContact O-N 3.46Å; I182-R184 VanDerWaalsContact C-N 3.31Å; I182-R184 PolarHBondContact O-N 3.47Å; R184-I186 VanDerWaalsContact C-N 3.33Å; R184-I186 PolarHBondContact O-N 2.92Å; R184-K187 WeakPolarHBondContact O-CB 3.16Å; R184-K187 PolarHBondContact O-N 2.96Å; R184-E188 IonicContact NE-OE1 3.83Å; R184-E188 PolarHBondContact O-N 2.82Å
185D85Confident76.5Confident8 Ų841.9 Ų41.94%0.04323%0.227CC..Hα-helixtrans-65-38.5-179.1-86.235.6000111.4I107 I146 L181 I182 K187 E188 I189I107-D185 HydrophobicContact CD1-CB 4.07Å; I146-D185 HydrophobicContact CD1-CB 4.27Å; I146-D185 VanDerWaalsContact CG1-OD2 3.23Å; I146-D185 WeakPolarHBondContact CG1-OD2 3.49Å; L181-D185 PolarHBondContact O-N 3.24Å; L181-D185 VanDerWaalsContact O-N 3.08Å; I182-D185 PolarHBondContact O-N 2.81Å; D185-K187 VanDerWaalsContact C-N 3.35Å; D185-K187 PolarHBondContact O-N 3.49Å; D185-E188 PolarHBondContact O-N 3.32Å; D185-I189 VanDerWaalsContact O-CG1 3.31Å; D185-I189 WeakPolarHBondContact O-CG1 3.36Å; D185-I189 PolarHBondContact O-N 3.44Å
186I86.8Confident74.7Confident0 Ų045.9 Ų45.90%025%0.251CS..Hα-helixtrans-58.7-47.3171.7-70.3171.4000110.6I5 L33 F70 I107 I182 A183 R184 E188 I189 L190I5-I186 HydrophobicContact CD1-CD1 3.61Å; I5-I186 HydrophobicContact CG1-CD1 3.98Å; I5-I186 HydrophobicContact CG2-CD1 4.13Å; L33-I186 HydrophobicContact CD1-CD1 4.42Å; L33-I186 HydrophobicContact CD2-CB 4.29Å; L33-I186 HydrophobicContact CD2-CG2 4.02Å; F70-I186 HydrophobicContact CB-CG1 4.49Å; F70-I186 HydrophobicContact CD1-CG1 4.32Å; F70-I186 HydrophobicContact CD2-CG2 3.98Å; F70-I186 HydrophobicContact CE1-CG2 4.33Å; F70-I186 HydrophobicContact CE2-CG2 3.77Å; F70-I186 HydrophobicContact CG-CG1 4.17Å; F70-I186 HydrophobicContact CG-CG2 4.36Å; F70-I186 HydrophobicContact CZ-CG2 3.97Å; I107-I186 HydrophobicContact CD1-CG1 3.59Å; I182-I186 HydrophobicContact CG2-CD1 3.88Å; I182-I186 HydrophobicContact CG2-CG1 4.49Å; I182-I186 WeakPolarHBondContact O-CG1 3.4Å; I182-I186 PolarHBondContact O-N 2.92Å; A183-I186 PolarHBondContact O-N 2.8Å; R184-I186 VanDerWaalsContact C-N 3.33Å; R184-I186 PolarHBondContact O-N 2.92Å; I186-E188 VanDerWaalsContact C-N 3.32Å; I186-E188 PolarHBondContact O-N 3.26Å; I186-I189 PolarHBondContact O-N 2.87Å; I186-L190 HydrophobicContact CG2-CD1 3.82Å; I186-L190 HydrophobicContact CG2-CG 4.33Å; I186-L190 VanDerWaalsContact O-CG 3.3Å; I186-L190 WeakPolarHBondContact O-CG 3.48Å; I186-L190 PolarHBondContact O-N 2.79Å
187K77.3Confident73.8Confident68 Ų6846.8 Ų46.830%0.29626%0.259SS..Hα-helixtrans-57.2-44.2175.4169.5179.1177174.90111.9M36 F38 A183 R184 D185 I189 L190 L191M36-K187 HydrophobicContact CB-CD 4.43Å; M36-K187 HydrophobicContact SD-CD 3.79Å; F38-K187 HydrophobicContact CD2-CD 4.4Å; F38-K187 HydrophobicContact CD2-CG 4.33Å; F38-K187 HydrophobicContact CE2-CB 4.31Å; F38-K187 HydrophobicContact CE2-CD 3.8Å; F38-K187 HydrophobicContact CE2-CG 3.67Å; F38-K187 HydrophobicContact CZ-CG 4.08Å; A183-K187 WeakPolarHBondContact O-CB 3.33Å; A183-K187 PolarHBondContact O-N 3.24Å; R184-K187 WeakPolarHBondContact O-CB 3.16Å; R184-K187 PolarHBondContact O-N 2.96Å; D185-K187 VanDerWaalsContact C-N 3.35Å; D185-K187 PolarHBondContact O-N 3.49Å; K187-I189 VanDerWaalsContact C-N 3.33Å; K187-I189 PolarHBondContact O-N 3.1Å; K187-L190 PolarHBondContact O-N 3.42Å; K187-L191 HydrophobicContact CG-CD1 4Å; K187-L191 HydrophobicContact CG-CG 4.46Å; K187-L191 VanDerWaalsContact O-CG 3.26Å; K187-L191 WeakPolarHBondContact O-CG 3.31Å; K187-L191 PolarHBondContact O-N 2.9Å
188E66.6Low73.3Confident107 Ų10748.9 Ų48.950%0.527%0.271SS..Hα-helixtrans-63.2-39178.2-72.9-175.3-174.500112.2R184 D185 I186 L191 A192R184-E188 IonicContact NE-OE1 3.83Å; R184-E188 PolarHBondContact O-N 2.82Å; D185-E188 PolarHBondContact O-N 3.32Å; I186-E188 VanDerWaalsContact C-N 3.32Å; I186-E188 PolarHBondContact O-N 3.26Å; E188-L191 PolarHBondContact O-N 3.17Å; E188-A192 PolarHBondContact O-N 3.02Å; E188-A192 VanDerWaalsContact O-N 3.16Å
189I71.9Confident72.8Confident11 Ų1151 Ų516%0.05628%0.279CS..Hα-helixtrans-65.6-45.5174.8-61.5166.8000110.7F70 I107 N144 D185 I186 K187 L191 A192 E193F70-I189 HydrophobicContact CD1-CD1 4.2Å; F70-I189 HydrophobicContact CE1-CB 3.92Å; F70-I189 HydrophobicContact CE1-CD1 4.17Å; F70-I189 HydrophobicContact CE1-CG2 3.67Å; F70-I189 HydrophobicContact CZ-CG2 4.49Å; I107-I189 HydrophobicContact CD1-CD1 3.92Å; I107-I189 HydrophobicContact CG1-CD1 3.77Å; N144-I189 WeakPolarHBondContact ND2-CD1 3.38Å; N144-I189 WeakPolarHBondContact ND2-CG1 3.31Å; D185-I189 VanDerWaalsContact O-CG1 3.31Å; D185-I189 WeakPolarHBondContact O-CG1 3.36Å; D185-I189 PolarHBondContact O-N 3.44Å; I186-I189 PolarHBondContact O-N 2.87Å; K187-I189 VanDerWaalsContact C-N 3.33Å; K187-I189 PolarHBondContact O-N 3.1Å; I189-L191 VanDerWaalsContact C-N 3.29Å; I189-L191 PolarHBondContact O-N 3.39Å; I189-A192 CarbonylContact O-C 3.58Å; I189-A192 WeakPolarHBondContact O-CA 3.33Å; I189-A192 WeakPolarHBondContact O-CB 3.27Å; I189-A192 PolarHBondContact O-N 3.05Å; I189-E193 HydrophobicContact CG2-CG 3.92Å; I189-E193 PolarHBondContact O-N 3.46Å
190L68.1Low72.5Confident27 Ų2751 Ų5114%0.14128%0.279CS..Hα-helixtrans-59.5-40.1178.1-71.3166.6000112.4F38 Y41 F70 I186 K187 A192 E193F38-L190 HydrophobicContact CD1-CD1 3.73Å; F38-L190 HydrophobicContact CE1-CB 4.4Å; F38-L190 HydrophobicContact CE1-CD1 4.08Å; F38-L190 HydrophobicContact CG-CD1 4.35Å; Y41-L190 WeakPolarHBondContact OH-CD1 3.43Å; F70-L190 HydrophobicContact CE2-CD2 4.01Å; F70-L190 HydrophobicContact CE2-CG 4.31Å; F70-L190 HydrophobicContact CZ-CD1 4.5Å; F70-L190 HydrophobicContact CZ-CD2 3.61Å; F70-L190 HydrophobicContact CZ-CG 3.77Å; I186-L190 HydrophobicContact CG2-CD1 3.82Å; I186-L190 HydrophobicContact CG2-CG 4.33Å; I186-L190 VanDerWaalsContact O-CG 3.3Å; I186-L190 WeakPolarHBondContact O-CG 3.48Å; I186-L190 PolarHBondContact O-N 2.79Å; K187-L190 PolarHBondContact O-N 3.42Å; L190-A192 PolarHBondContact O-N 3.24Å; L190-E193 PolarHBondContact O-N 3.48Å
191L59.6Low72.8Confident102 Ų10250.9 Ų50.953%0.53428%0.278SS..Hα-helixtrans-67.5-25.4175.4-69.2172.3000112.2K187 E188 I189K187-L191 HydrophobicContact CG-CD1 4Å; K187-L191 HydrophobicContact CG-CG 4.46Å; K187-L191 VanDerWaalsContact O-CG 3.26Å; K187-L191 WeakPolarHBondContact O-CG 3.31Å; K187-L191 PolarHBondContact O-N 2.9Å; E188-L191 PolarHBondContact O-N 3.17Å; I189-L191 VanDerWaalsContact C-N 3.29Å; I189-L191 PolarHBondContact O-N 3.39Å
192A54.9Low72.8Confident81 Ų8154.9 Ų54.967%0.66929%0.292SS*.Hα-helixtrans-87.1-29.2176.800000114E188 I189 L190 G194E188-A192 PolarHBondContact O-N 3.02Å; E188-A192 VanDerWaalsContact O-N 3.16Å; I189-A192 CarbonylContact O-C 3.58Å; I189-A192 WeakPolarHBondContact O-CA 3.33Å; I189-A192 WeakPolarHBondContact O-CB 3.27Å; I189-A192 PolarHBondContact O-N 3.05Å; L190-A192 PolarHBondContact O-N 3.24Å; A192-G194 VanDerWaalsContact C-N 3.32Å; A192-G194 PolarHBondContact O-N 3.25Å
193E52.9Low72.6Confident99 Ų9954.9 Ų54.946%0.46329%0.292SS..THydrogen-bonded Turntrans-80.83.1-173.8-78.5-168.7157.400115.6S104 I189 L190S104-E193 WeakPolarHBondContact CB-OE1 3.47Å; S104-E193 PolarHBondContact OG-OE1 3.16Å; I189-E193 HydrophobicContact CG2-CG 3.92Å; I189-E193 PolarHBondContact O-N 3.46Å; L190-E193 PolarHBondContact O-N 3.48Å
194G41.8Very low72.9Confident39 Ų3954.9 Ų54.940%0.40229%0.292SS..THydrogen-bonded Turntrans92.148.4154.100000117.8A192A192-G194 VanDerWaalsContact C-N 3.32Å; A192-G194 PolarHBondContact O-N 3.25Å
195D49.1Very low73.5Confident165 Ų16552.2 Ų52.288%0.88228%0.284SS*.SBendtrans-77.7-9.2146.3-85.3-20.8000111.8
196T56.4Low73.7Confident83 Ų8357.4 Ų57.451%0.50931%0.308SS..SBendtrans-141.6152.7177.864.40000111.8
197V69.5Low73.9Confident55 Ų5561 Ų6133%0.33333%0.325SS..  trans-62.9133.9173.6177.40000109.8Y199 R202 I205 Y225 P227V197-Y199 PolarHBondContact O-N 2.82Å; V197-R202 HydrophobicContact CG1-CB 4.17Å; V197-I205 HydrophobicContact CG1-CD1 4.43Å; V197-Y225 WeakPolarHBondContact CA-OH 3.43Å; V197-P227 HydrophobicContact CG1-CB 3.9Å; V197-P227 HydrophobicContact CG1-CG 4.33Å; V197-P227 HydrophobicContact CG2-CB 4.25Å
198D76.2Confident74.5Confident69 Ų6958.1 Ų58.137%0.36931%0.313SS..  trans-44133.3174.2168.970.2000110G200 S201 R202 N286D198-G200 VanDerWaalsContact C-N 3.27Å; D198-G200 PolarHBondContact O-N 2.93Å; D198-G200 WeakPolarHBondContact OD2-CA 3.12Å; D198-G200 PolarHBondContact OD2-N 3.42Å; D198-S201 CarbonylContact O-C 3.23Å; D198-S201 WeakPolarHBondContact O-CA 3.41Å; D198-S201 WeakPolarHBondContact O-CB 3.46Å; D198-S201 PolarHBondContact O-N 2.88Å; D198-S201 PolarHBondContact OD2-N 3.46Å; D198-R202 PolarHBondContact O-N 3.04Å; D198-N286 PolarHBondContact OD2-ND2 2.57Å
199Y83.8Confident75.2Confident45 Ų4556 Ų5618%0.17631%0.305CS..Hα-helixtrans-56.9-43.3-172-168.3-85.3000111.8V197 R202 V203 D343 K344 Y346V197-Y199 PolarHBondContact O-N 2.82Å; Y199-R202 PolarHBondContact O-N 3.3Å; Y199-V203 HydrophobicContact CD1-CG2 3.62Å; Y199-V203 HydrophobicContact CE1-CG2 3.27Å; Y199-V203 VanDerWaalsContact O-CG2 3.26Å; Y199-V203 WeakPolarHBondContact O-CG2 3.18Å; Y199-V203 PolarHBondContact O-N 3.16Å; Y199-D343 PolarHBondContact OH-OD1 3.02Å; Y199-D343 VanDerWaalsContact OH-OD1 3.13Å; Y199-D343 PolarHBondContact OH-OD2 2.97Å; Y199-K344 HydrophobicContact CE1-CB 3.86Å; Y199-K344 HydrophobicContact CE1-CD 4.34Å; Y199-K344 HydrophobicContact CE1-CG 4.38Å; Y199-K344 HydrophobicContact CE2-CD 3.91Å; Y199-K344 WeakPolarHBondContact OH-CD 3.41Å; Y199-K344 WeakPolarHBondContact OH-CE 3.24Å; Y199-K344 WeakPolarHBondContact OH-CG 3.5Å; Y199-K344 PolarHBondContact OH-NZ 2.99Å; Y199-Y346 AromaticContact CD1-CD2 3.5Å; Y199-Y346 HydrophobicContact CD1-CD2 3.5Å; Y199-Y346 VanDerWaalsContact CD1-CD2 3.5Å; Y199-Y346 AromaticContact CD1-CE2 3.57Å; Y199-Y346 HydrophobicContact CD1-CE2 3.57Å; Y199-Y346 HydrophobicContact CD1-CG 4.3Å; Y199-Y346 AromaticContact CE1-CD2 3.98Å; Y199-Y346 HydrophobicContact CE1-CD2 3.98Å; Y199-Y346 HydrophobicContact CE1-CE2 4.4Å; Y199-Y346 HydrophobicContact CG-CE2 4.26Å
200G86.6Confident75.7Confident0 Ų056.5 Ų56.50%031%0.311CS..Hα-helixtrans-61.5-46.4177.500000111.5D198 R202 V203 L204 V316D198-G200 VanDerWaalsContact C-N 3.27Å; D198-G200 PolarHBondContact O-N 2.93Å; D198-G200 WeakPolarHBondContact OD2-CA 3.12Å; D198-G200 PolarHBondContact OD2-N 3.42Å; G200-R202 VanDerWaalsContact C-N 3.34Å; G200-R202 PolarHBondContact O-N 2.77Å; G200-V203 PolarHBondContact O-N 3.04Å; G200-L204 PolarHBondContact O-N 2.91Å; G200-V316 WeakPolarHBondContact O-CG2 3.45Å
201S89.8Confident75.9Confident11 Ų1164 Ų648%0.07735%0.345CS..Hα-helixtrans-58.3-43.5174.8-62.10000112.4D198 L204 I205 N286D198-S201 CarbonylContact O-C 3.23Å; D198-S201 WeakPolarHBondContact O-CA 3.41Å; D198-S201 WeakPolarHBondContact O-CB 3.46Å; D198-S201 PolarHBondContact O-N 2.88Å; D198-S201 PolarHBondContact OD2-N 3.46Å; S201-L204 PolarHBondContact O-N 3.42Å; S201-I205 WeakPolarHBondContact O-CD1 3.48Å; S201-I205 VanDerWaalsContact O-CG1 3.23Å; S201-I205 WeakPolarHBondContact O-CG1 3.27Å; S201-I205 PolarHBondContact O-N 3.16Å; S201-N286 PolarHBondContact OG-ND2 3.13Å
202R89.2Confident76.3Confident93 Ų9365.1 Ų65.135%0.35135%0.347SS..Hα-helixtrans-62.4-47.6176.1-178.7174.165.2-160.5-3.9111.9V197 D198 Y199 G200 L204 I205 E206V197-R202 HydrophobicContact CG1-CB 4.17Å; D198-R202 PolarHBondContact O-N 3.04Å; Y199-R202 PolarHBondContact O-N 3.3Å; G200-R202 VanDerWaalsContact C-N 3.34Å; G200-R202 PolarHBondContact O-N 2.77Å; R202-L204 VanDerWaalsContact C-N 3.26Å; R202-L204 PolarHBondContact O-N 3.4Å; R202-I205 PolarHBondContact O-N 3.01Å; R202-I205 VanDerWaalsContact O-N 3.14Å; R202-E206 WeakPolarHBondContact CD-OE1 3.42Å; R202-E206 HydrophobicContact CG-CG 4.22Å; R202-E206 WeakPolarHBondContact CG-OE1 3.45Å; R202-E206 IonicContact NE-OE1 3.89Å; R202-E206 WeakPolarHBondContact O-CG 3.2Å; R202-E206 PolarHBondContact O-N 2.81Å
203V90.2Very high77.6Confident0 Ų061.9 Ų61.90%032%0.319CS..Hα-helixtrans-59.9-39.3178.41770000110.9Y199 G200 H207 D343 I348Y199-V203 HydrophobicContact CD1-CG2 3.62Å; Y199-V203 HydrophobicContact CE1-CG2 3.27Å; Y199-V203 VanDerWaalsContact O-CG2 3.26Å; Y199-V203 WeakPolarHBondContact O-CG2 3.18Å; Y199-V203 PolarHBondContact O-N 3.16Å; G200-V203 PolarHBondContact O-N 3.04Å; V203-H207 PolarHBondContact O-N 2.92Å; V203-H207 VanDerWaalsContact O-N 3.16Å; V203-H207 PolarHBondContact O-ND1 3.2Å; V203-D343 HydrophobicContact CG1-CB 3.98Å; V203-D343 HydrophobicContact CG2-CB 4.08Å; V203-I348 HydrophobicContact CG1-CD1 3.92Å; V203-I348 HydrophobicContact CG1-CG1 3.97Å
204L93.9Very high79.2Confident0 Ų058.8 Ų58.80%031%0.307CS..Hα-helixtrans-63.2-46.4175.4-173.1149.8000111.5G200 S201 R202 H207 F208 I228 V284 V316 I348G200-L204 PolarHBondContact O-N 2.91Å; S201-L204 PolarHBondContact O-N 3.42Å; R202-L204 VanDerWaalsContact C-N 3.26Å; R202-L204 PolarHBondContact O-N 3.4Å; L204-H207 CarbonylContact O-C 3.57Å; L204-H207 PolarHBondContact O-N 2.59Å; L204-F208 WeakPolarHBondContact O-CB 3.35Å; L204-F208 PolarHBondContact O-N 3.31Å; L204-I228 HydrophobicContact CD1-CD1 4.49Å; L204-I228 HydrophobicContact CD2-CD1 4.31Å; L204-I228 HydrophobicContact CD2-CG1 4.46Å; L204-I228 HydrophobicContact CD2-CG2 3.71Å; L204-V284 HydrophobicContact CD2-CB 4.33Å; L204-V284 HydrophobicContact CD2-CG1 4.47Å; L204-V316 HydrophobicContact CB-CB 4.03Å; L204-V316 HydrophobicContact CB-CG1 3.96Å; L204-V316 HydrophobicContact CD1-CB 3.94Å; L204-V316 HydrophobicContact CD1-CG1 3.72Å; L204-V316 HydrophobicContact CG-CG1 4.49Å; L204-I348 HydrophobicContact CB-CD1 3.99Å; L204-I348 HydrophobicContact CG-CD1 4.49Å
205I93.7Very high81.3Confident33 Ų3365.1 Ų65.117%0.16933%0.326CS..Hα-helixtrans-60.3-47.4178.3-66.9160.7000110.6V197 S201 R202 H207 F208 I228 A231V197-I205 HydrophobicContact CG1-CD1 4.43Å; S201-I205 WeakPolarHBondContact O-CD1 3.48Å; S201-I205 VanDerWaalsContact O-CG1 3.23Å; S201-I205 WeakPolarHBondContact O-CG1 3.27Å; S201-I205 PolarHBondContact O-N 3.16Å; R202-I205 PolarHBondContact O-N 3.01Å; R202-I205 VanDerWaalsContact O-N 3.14Å; I205-H207 VanDerWaalsContact C-N 3.26Å; I205-H207 PolarHBondContact O-N 2.82Å; I205-F208 PolarHBondContact O-N 3.16Å; I205-I228 HydrophobicContact CD1-CG1 4.23Å; I205-I228 HydrophobicContact CG1-CB 4.48Å; I205-I228 HydrophobicContact CG1-CG1 4.18Å; I205-A231 HydrophobicContact CD1-CB 3.89Å; I205-A231 HydrophobicContact CG1-CB 4Å; I205-A231 HydrophobicContact CG2-CB 3.72Å
206E90.4Very high83.4Confident117 Ų11758.3 Ų58.355%0.54730%0.295SS..Hα-helixtrans-64.6-27-178.3-72.8171.2177.700113.6R202R202-E206 WeakPolarHBondContact CD-OE1 3.42Å; R202-E206 HydrophobicContact CG-CG 4.22Å; R202-E206 WeakPolarHBondContact CG-OE1 3.45Å; R202-E206 IonicContact NE-OE1 3.89Å; R202-E206 WeakPolarHBondContact O-CG 3.2Å; R202-E206 PolarHBondContact O-N 2.81Å
207H89.5Confident85.2Confident76 Ų7655.6 Ų55.635%0.35228%0.278SS..THydrogen-bonded Turntrans-111.210.3-178.9-61.283000113.1V203 L204 I205 A341 I348V203-H207 PolarHBondContact O-N 2.92Å; V203-H207 VanDerWaalsContact O-N 3.16Å; V203-H207 PolarHBondContact O-ND1 3.2Å; L204-H207 CarbonylContact O-C 3.57Å; L204-H207 PolarHBondContact O-N 2.59Å; I205-H207 VanDerWaalsContact C-N 3.26Å; I205-H207 PolarHBondContact O-N 2.82Å; H207-A341 HydrophobicContact CB-CB 4.03Å; H207-A341 WeakPolarHBondContact CD2-CB 3.09Å; H207-I348 HydrophobicContact CB-CG1 4.3Å
208F89.5Confident86.5Confident8 Ų853 Ų534%0.03526%0.263CS..  trans-77.9128.2172.9-172.6-93.2000109.3L204 I205 A210 L213 L232 A282 V284L204-F208 WeakPolarHBondContact O-CB 3.35Å; L204-F208 PolarHBondContact O-N 3.31Å; I205-F208 PolarHBondContact O-N 3.16Å; F208-A210 HydrophobicContact CE1-CB 4.08Å; F208-L213 HydrophobicContact CE1-CD1 3.88Å; F208-L213 HydrophobicContact CZ-CD1 3.54Å; F208-L232 HydrophobicContact CB-CD2 3.89Å; F208-L232 HydrophobicContact CD1-CD1 4.47Å; F208-L232 HydrophobicContact CD1-CD2 3.28Å; F208-L232 HydrophobicContact CD1-CG 4.48Å; F208-L232 HydrophobicContact CD2-CD1 4.38Å; F208-L232 HydrophobicContact CD2-CD2 4.23Å; F208-L232 HydrophobicContact CE1-CD1 4.31Å; F208-L232 HydrophobicContact CE1-CD2 3.75Å; F208-L232 HydrophobicContact CE2-CD1 4.25Å; F208-L232 HydrophobicContact CG-CD1 4.47Å; F208-L232 HydrophobicContact CG-CD2 3.53Å; F208-L232 HydrophobicContact CZ-CD1 4.18Å; F208-L232 HydrophobicContact CZ-CD2 4.39Å; F208-A282 HydrophobicContact CE2-CB 4.34Å; F208-A282 HydrophobicContact CZ-CB 4.1Å; F208-V284 HydrophobicContact CD2-CG1 3.8Å; F208-V284 HydrophobicContact CE2-CG1 3.37Å; F208-V284 HydrophobicContact CZ-CG1 4.31Å
209D81.9Confident87.6Confident63 Ų6349.8 Ų49.834%0.33725%0.245SC..  trans-119.9124.2-179-178.34.4000108.6E211 R350D209-E211 WeakPolarHBondContact OD1-CB 3.4Å; D209-E211 PolarHBondContact OD1-N 3.23Å; D209-R350 VanDerWaalsContact N-NH2 3.18Å
210A81.7Confident88.2Confident21 Ų2147.7 Ų47.717%0.17424%0.237CC..  trans-104.5-7.5-176.800000113.4F208 E212 L213 T236F208-A210 HydrophobicContact CE1-CB 4.08Å; A210-E212 VanDerWaalsContact C-N 3.31Å; A210-E212 PolarHBondContact O-N 3.48Å; A210-L213 HydrophobicContact CB-CD1 4.24Å; A210-L213 PolarHBondContact O-N 2.83Å; A210-T236 HydrophobicContact CB-CG2 3.6Å
211E72.7Confident88.7Confident183 Ų18347.8 Ų47.886%0.85524%0.238SC*.THydrogen-bonded Turntrans-62.5-37.6-171.4-69.1-169.8175.900112.2D209D209-E211 WeakPolarHBondContact OD1-CB 3.4Å; D209-E211 PolarHBondContact OD1-N 3.23Å
212E68.8Low88.8Confident127 Ų12748.6 Ų48.659%0.59325%0.248SC*.THydrogen-bonded Turntrans-93.90.4-177.9-58.6-168.2160.400114.5A210A210-E212 VanDerWaalsContact C-N 3.31Å; A210-E212 PolarHBondContact O-N 3.48Å
213L82.7Confident88.9Confident13 Ų1344.5 Ų44.57%0.06823%0.233CC..PPolyproline II helixtrans-77.4134.4-175.9-63.2179.3000111.6F208 A210 L218 R238 A282 T312F208-L213 HydrophobicContact CE1-CD1 3.88Å; F208-L213 HydrophobicContact CZ-CD1 3.54Å; A210-L213 HydrophobicContact CB-CD1 4.24Å; A210-L213 PolarHBondContact O-N 2.83Å; L213-L218 HydrophobicContact CD1-CD2 4.28Å; L213-R238 PolarHBondContact O-NH2 2.88Å; L213-A282 HydrophobicContact CD1-CB 3.85Å; L213-A282 HydrophobicContact CD2-CB 4.09Å; L213-T312 HydrophobicContact CD2-CG2 3.8Å; L213-T312 VanDerWaalsContact CD2-OG1 3.24Å; L213-T312 WeakPolarHBondContact CD2-OG1 3.17Å
214P84.9Confident88.8Confident34 Ų3445.6 Ų45.622%0.22125%0.245CC..PPolyproline II helixtrans-59.4157.9173.328.7-36.9000110.3G216 R238 A281 K308 G310P214-G216 PolarHBondContact O-N 3.13Å; P214-R238 PolarHBondContact O-NH1 3.27Å; P214-A281 HydrophobicContact CG-CB 4.22Å; P214-A281 WeakPolarHBondContact O-CB 3.47Å; P214-K308 HydrophobicContact CG-CB 4.17Å; P214-G310 WeakPolarHBondContact CD-O 3.24Å
215E87.7Confident88.5Confident172 Ų17249.2 Ų49.280%0.80426%0.259SS*.SBendtrans-59.5136.9174.7-67.2-172159.900111.3K308E215-K308 WeakPolarHBondContact O-CD 3.41Å; E215-K308 PolarHBondContact O-NZ 2.74Å
216G91.8Very high88.4Confident22 Ų2247.6 Ų47.623%0.22725%0.251CS..SBendtrans151.5175.5175.700000114.6P214P214-G216 PolarHBondContact O-N 3.13Å
217T95.9Very high88.5Confident25 Ų2542.8 Ų42.815%0.15323%0.23CC..  trans-66.6146.3177.2-49.90000111.3S239 E241 Q277 Y280 A281T217-S239 WeakPolarHBondContact CA-O 3.47Å; T217-S239 WeakPolarHBondContact CG2-O 3.39Å; T217-E241 HydrophobicContact CG2-CB 4.44Å; T217-Q277 HydrophobicContact CG2-CG 4.14Å; T217-Y280 HydrophobicContact CG2-CD1 4.12Å; T217-Y280 HydrophobicContact CG2-CE1 4.06Å; T217-Y280 WeakPolarHBondContact O-CA 3.34Å; T217-A281 PolarHBondContact O-N 2.93Å
218L96.7Very high88.8Confident1 Ų139.4 Ų39.41%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-100.9149.5171.3-45179.2000110L213 L232 T236 R238 S239 V240 E241 A281 A282L213-L218 HydrophobicContact CD1-CD2 4.28Å; L218-L232 HydrophobicContact CD1-CB 4.03Å; L218-L232 HydrophobicContact CD1-CD1 4.38Å; L218-T236 HydrophobicContact CD1-CG2 4.33Å; L218-R238 HydrophobicContact CG-CB 4.46Å; L218-S239 PolarHBondContact N-O 3.03Å; L218-V240 HydrophobicContact CB-CG1 4.44Å; L218-V240 HydrophobicContact CB-CG2 4.19Å; L218-V240 HydrophobicContact CD1-CG2 4.28Å; L218-V240 HydrophobicContact CG-CG2 4.49Å; L218-V240 WeakPolarHBondContact O-CA 3.36Å; L218-E241 PolarHBondContact O-N 2.89Å; L218-A281 HydrophobicContact CD2-CB 4.1Å; L218-A282 WeakPolarHBondContact CA-O 3.21Å; L218-A282 HydrophobicContact CD2-CB 3.98Å
219L97.6Very high89.1Confident1 Ų139 Ų391%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-119.4126.8176.6-178.763.3000110.8V221 E241 I243 Y272 L275 Y280 A282 I283 V284L219-V221 HydrophobicContact CD2-CG2 3.88Å; L219-V221 HydrophobicContact CG-CG2 3.84Å; L219-E241 CarbonylContact C-O 3.54Å; L219-E241 WeakPolarHBondContact CA-O 3.39Å; L219-E241 HydrophobicContact CD1-CB 3.98Å; L219-E241 HydrophobicContact CD1-CG 4.05Å; L219-I243 HydrophobicContact CD1-CD1 4.15Å; L219-I243 HydrophobicContact CD1-CG1 4.19Å; L219-Y272 HydrophobicContact CD2-CD1 4.01Å; L219-Y272 HydrophobicContact CD2-CE1 3.75Å; L219-L275 HydrophobicContact CD1-CD2 4.03Å; L219-L275 HydrophobicContact CD2-CD1 4.1Å; L219-L275 HydrophobicContact CD2-CD2 4.22Å; L219-Y280 HydrophobicContact CB-CD1 3.59Å; L219-Y280 HydrophobicContact CB-CD2 4.34Å; L219-Y280 HydrophobicContact CB-CE1 3.72Å; L219-Y280 HydrophobicContact CB-CE2 4.48Å; L219-Y280 HydrophobicContact CB-CG 3.91Å; L219-Y280 HydrophobicContact CD1-CE1 4.17Å; L219-Y280 HydrophobicContact CD2-CD2 4.21Å; L219-Y280 HydrophobicContact CD2-CE1 4.45Å; L219-Y280 HydrophobicContact CD2-CE2 3.93Å; L219-Y280 HydrophobicContact CG-CE1 4.33Å; L219-A282 PolarHBondContact N-O 3.34Å; L219-I283 HydrophobicContact CB-CG1 4.18Å; L219-I283 HydrophobicContact CD2-CD1 4.42Å; L219-I283 HydrophobicContact CD2-CG1 4.24Å; L219-I283 HydrophobicContact CD2-CG2 4.31Å; L219-I283 CarbonylContact O-C 3.53Å; L219-I283 WeakPolarHBondContact O-CA 3.36Å; L219-V284 WeakPolarHBondContact O-CG2 3.2Å; L219-V284 PolarHBondContact O-N 3.37Å
220D97.7Very high89.8Confident1 Ų136.8 Ų36.81%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-106.2111.1171.2-175.310.8000110.4C223 G229 E241 M242 I243 V284D220-C223 HydrophobicContact CB-CB 4.31Å; D220-C223 WeakPolarHBondContact OD2-CB 3.47Å; D220-G229 PolarHBondContact OD2-N 2.8Å; D220-E241 PolarHBondContact N-O 2.92Å; D220-M242 HydrophobicContact CB-CG 4.05Å; D220-I243 WeakPolarHBondContact O-CG1 3.49Å; D220-I243 PolarHBondContact O-N 2.8Å; D220-V284 HydrophobicContact CB-CG2 4.03Å
221V96.3Very high90.4Very high3 Ų337.1 Ų37.12%0.01820%0.203CC..EExtended strand (participates in β ladder)trans-98.8115.1-174-1730000110.4L219 I243 Y272 I283 V284 S285 I299L219-V221 HydrophobicContact CD2-CG2 3.88Å; L219-V221 HydrophobicContact CG-CG2 3.84Å; V221-I243 HydrophobicContact CG1-CD1 4.32Å; V221-I243 HydrophobicContact CG2-CD1 4.4Å; V221-Y272 HydrophobicContact CG1-CE1 4.38Å; V221-Y272 HydrophobicContact CG2-CD1 4.44Å; V221-Y272 HydrophobicContact CG2-CE1 3.5Å; V221-I283 HydrophobicContact CG2-CG2 3.72Å; V221-V284 PolarHBondContact N-O 2.76Å; V221-S285 WeakPolarHBondContact O-CB 3.36Å; V221-S285 PolarHBondContact O-OG 3.31Å; V221-I299 HydrophobicContact CG1-CD1 4.39Å; V221-I299 HydrophobicContact CG1-CG1 4.3Å; V221-I299 HydrophobicContact CG1-CG2 4.31Å
222G92.2Very high91.4Very high27 Ų2728.5 Ų28.528%0.27816%0.162SC..THydrogen-bonded Turntrans77.653.1-171.800000110.8G224 I243G222-G224 PolarHBondContact O-N 2.87Å; G222-I243 WeakPolarHBondContact CA-O 3.46Å; G222-I243 PolarHBondContact N-O 2.92Å
223C91.5Very high92.7Very high7 Ų723 Ų235%0.04714%0.139CC..  trans-68.4-14.2-168.169.40000114.3D220 Y225 G226 M242 I243 D244D220-C223 HydrophobicContact CB-CB 4.31Å; D220-C223 WeakPolarHBondContact OD2-CB 3.47Å; C223-Y225 PolarHBondContact O-N 3.35Å; C223-G226 WeakPolarHBondContact O-CA 3.39Å; C223-G226 PolarHBondContact O-N 3.3Å; C223-M242 HydrophobicContact CB-CB 3.83Å; C223-M242 HydrophobicContact CB-CG 4.31Å; C223-M242 HydrophobicContact CB-SD 4.4Å; C223-I243 PolarHBondContact N-O 3.21Å; C223-D244 PolarHBondContact N-OD2 3.06Å
224G88.9Confident93.2Very high24 Ų2431.6 Ų31.625%0.24717%0.172CC..THydrogen-bonded Turntrans58.7-130.8-175.700000111G222 G226 D244 A249G222-G224 PolarHBondContact O-N 2.87Å; G224-G226 PolarHBondContact O-N 2.81Å; G224-D244 PolarHBondContact N-OD2 3.12Å; G224-A249 CarbonylContact O-C 3.51Å; G224-A249 VanDerWaalsContact O-C 3.23Å; G224-A249 WeakPolarHBondContact O-CB 3.49Å
225Y87.7Confident93.5Very high75 Ų7535 Ų3529%0.29419%0.185SC..THydrogen-bonded Turntrans-84.515.6174.264.4-89.8000113.6V197 C223 P227 M230 A253 N256V197-Y225 WeakPolarHBondContact CA-OH 3.43Å; C223-Y225 PolarHBondContact O-N 3.35Å; Y225-P227 VanDerWaalsContact C-CD 3.5Å; Y225-P227 HydrophobicContact CD2-CG 4.34Å; Y225-P227 HydrophobicContact CE1-CG 4.3Å; Y225-P227 HydrophobicContact CE2-CB 3.97Å; Y225-P227 HydrophobicContact CE2-CG 3.82Å; Y225-M230 WeakPolarHBondContact O-CE 3.43Å; Y225-A253 VanDerWaalsContact O-CA 3.31Å; Y225-A253 WeakPolarHBondContact O-CA 3.38Å; Y225-N256 PolarHBondContact O-ND2 2.82Å
226G91.3Very high93.7Very high0 Ų028.4 Ų28.40%016%0.156CC..SBendtrans87.413.2169.800000119.6C223 G224 I228 M230C223-G226 WeakPolarHBondContact O-CA 3.39Å; C223-G226 PolarHBondContact O-N 3.3Å; G224-G226 PolarHBondContact O-N 2.81Å; G226-I228 PolarHBondContact O-N 3.39Å; G226-M230 VanDerWaalsContact O-CB 3.24Å; G226-M230 WeakPolarHBondContact O-CB 3.31Å; G226-M230 WeakPolarHBondContact O-CE 3.48Å; G226-M230 VanDerWaalsContact O-CG 3.26Å; G226-M230 WeakPolarHBondContact O-CG 3.46Å; G226-M230 PolarHBondContact O-N 2.94Å
227P92.5Very high93.6Very high16 Ų1630.8 Ų30.810%0.10418%0.18CC..Hα-helixtrans-61.5-40.7-171.826.2-34.3000113.5V197 Y225 A231V197-P227 HydrophobicContact CG1-CB 3.9Å; V197-P227 HydrophobicContact CG1-CG 4.33Å; V197-P227 HydrophobicContact CG2-CB 4.25Å; Y225-P227 VanDerWaalsContact C-CD 3.5Å; Y225-P227 HydrophobicContact CD2-CG 4.34Å; Y225-P227 HydrophobicContact CE1-CG 4.3Å; Y225-P227 HydrophobicContact CE2-CB 3.97Å; Y225-P227 HydrophobicContact CE2-CG 3.82Å; P227-A231 VanDerWaalsContact O-CB 3.24Å; P227-A231 WeakPolarHBondContact O-CB 3.27Å; P227-A231 PolarHBondContact O-N 3.14Å; P227-A231 VanDerWaalsContact O-N 3.1Å
228I95.4Very high93.5Very high5 Ų532.6 Ų32.63%0.02618%0.184CC..Hα-helixtrans-67.6-61.5-179.8-63.5172000109.8L204 I205 G226 M230 A231 L232 V284 N286L204-I228 HydrophobicContact CD1-CD1 4.49Å; L204-I228 HydrophobicContact CD2-CD1 4.31Å; L204-I228 HydrophobicContact CD2-CG1 4.46Å; L204-I228 HydrophobicContact CD2-CG2 3.71Å; I205-I228 HydrophobicContact CD1-CG1 4.23Å; I205-I228 HydrophobicContact CG1-CB 4.48Å; I205-I228 HydrophobicContact CG1-CG1 4.18Å; G226-I228 PolarHBondContact O-N 3.39Å; I228-M230 VanDerWaalsContact C-N 3.29Å; I228-M230 PolarHBondContact O-N 3.09Å; I228-A231 PolarHBondContact O-N 3.5Å; I228-A231 VanDerWaalsContact O-N 3.1Å; I228-L232 HydrophobicContact CG2-CD1 4.01Å; I228-L232 HydrophobicContact CG2-CG 4.3Å; I228-L232 WeakPolarHBondContact O-CG 3.44Å; I228-L232 PolarHBondContact O-N 2.86Å; I228-V284 HydrophobicContact CG2-CB 4.46Å; I228-V284 HydrophobicContact CG2-CG2 3.67Å; I228-N286 HydrophobicContact CD1-CB 4.03Å
229G96.1Very high93.4Very high0 Ų036.6 Ų36.60%021%0.212CC..Hα-helixtrans-58.2-36.9-177.100000114.1D220 A233D220-G229 PolarHBondContact OD2-N 2.8Å; G229-A233 WeakPolarHBondContact O-CB 3.44Å; G229-A233 PolarHBondContact O-N 2.85Å
230M95Very high93.3Very high16 Ų1636.7 Ų36.78%0.07921%0.213CC..Hα-helixtrans-66.5-45174-74-173.3-72.600112.7Y225 G226 I228 L232 A233 Y234 M242 N256 A257 I262Y225-M230 WeakPolarHBondContact O-CE 3.43Å; G226-M230 VanDerWaalsContact O-CB 3.24Å; G226-M230 WeakPolarHBondContact O-CB 3.31Å; G226-M230 WeakPolarHBondContact O-CE 3.48Å; G226-M230 VanDerWaalsContact O-CG 3.26Å; G226-M230 WeakPolarHBondContact O-CG 3.46Å; G226-M230 PolarHBondContact O-N 2.94Å; I228-M230 VanDerWaalsContact C-N 3.29Å; I228-M230 PolarHBondContact O-N 3.09Å; M230-L232 VanDerWaalsContact C-N 3.32Å; M230-L232 PolarHBondContact O-N 3.44Å; M230-A233 PolarHBondContact O-N 2.78Å; M230-Y234 WeakPolarHBondContact O-CB 3.41Å; M230-Y234 PolarHBondContact O-N 2.88Å; M230-M242 HydrophobicContact CG-CE 3.82Å; M230-M242 HydrophobicContact CG-SD 4.48Å; M230-N256 HydrophobicContact CE-CB 3.55Å; M230-N256 VanDerWaalsContact SD-C 3.59Å; M230-N256 HydrophobicContact SD-CB 3.78Å; M230-A257 HydrophobicContact CG-CB 4.38Å; M230-A257 VanDerWaalsContact SD-CA 3.56Å; M230-A257 HydrophobicContact SD-CB 4.06Å; M230-A257 PolarHBondContact SD-N 3.27Å; M230-A257 VanDerWaalsContact SD-N 3.37Å; M230-I262 HydrophobicContact CB-CD1 3.72Å; M230-I262 HydrophobicContact CG-CD1 4.12Å; M230-I262 HydrophobicContact SD-CD1 4.48Å
231A94.9Very high93.3Very high28 Ų2836.7 Ų36.723%0.23121%0.213CC..Hα-helixtrans-61.6-42.1177.700000111.4I205 P227 I228 Y234 Q235I205-A231 HydrophobicContact CD1-CB 3.89Å; I205-A231 HydrophobicContact CG1-CB 4Å; I205-A231 HydrophobicContact CG2-CB 3.72Å; P227-A231 VanDerWaalsContact O-CB 3.24Å; P227-A231 WeakPolarHBondContact O-CB 3.27Å; P227-A231 PolarHBondContact O-N 3.14Å; P227-A231 VanDerWaalsContact O-N 3.1Å; I228-A231 PolarHBondContact O-N 3.5Å; I228-A231 VanDerWaalsContact O-N 3.1Å; A231-Y234 PolarHBondContact O-N 3.05Å; A231-Q235 VanDerWaalsContact O-CB 3.3Å; A231-Q235 WeakPolarHBondContact O-CB 3.06Å; A231-Q235 PolarHBondContact O-N 3.3Å
232L95.1Very high93.4Very high1 Ų136.5 Ų36.51%0.00521%0.212CC..Hα-helixtrans-66.5-40.9176.7-63.5-172.7000112.5F208 L218 I228 M230 Y234 T236 V284F208-L232 HydrophobicContact CB-CD2 3.89Å; F208-L232 HydrophobicContact CD1-CD1 4.47Å; F208-L232 HydrophobicContact CD1-CD2 3.28Å; F208-L232 HydrophobicContact CD1-CG 4.48Å; F208-L232 HydrophobicContact CD2-CD1 4.38Å; F208-L232 HydrophobicContact CD2-CD2 4.23Å; F208-L232 HydrophobicContact CE1-CD1 4.31Å; F208-L232 HydrophobicContact CE1-CD2 3.75Å; F208-L232 HydrophobicContact CE2-CD1 4.25Å; F208-L232 HydrophobicContact CG-CD1 4.47Å; F208-L232 HydrophobicContact CG-CD2 3.53Å; F208-L232 HydrophobicContact CZ-CD1 4.18Å; F208-L232 HydrophobicContact CZ-CD2 4.39Å; L218-L232 HydrophobicContact CD1-CB 4.03Å; L218-L232 HydrophobicContact CD1-CD1 4.38Å; I228-L232 HydrophobicContact CG2-CD1 4.01Å; I228-L232 HydrophobicContact CG2-CG 4.3Å; I228-L232 WeakPolarHBondContact O-CG 3.44Å; I228-L232 PolarHBondContact O-N 2.86Å; M230-L232 VanDerWaalsContact C-N 3.32Å; M230-L232 PolarHBondContact O-N 3.44Å; L232-Y234 VanDerWaalsContact C-N 3.29Å; L232-Y234 PolarHBondContact O-N 2.89Å; L232-T236 WeakPolarHBondContact O-CB 3.15Å; L232-T236 WeakPolarHBondContact O-CG2 3.44Å; L232-T236 PolarHBondContact O-N 2.91Å; L232-T236 PolarHBondContact O-OG1 3.14Å; L232-V284 HydrophobicContact CD1-CB 4.48Å; L232-V284 HydrophobicContact CD1-CG1 4.01Å; L232-V284 HydrophobicContact CD1-CG2 3.77Å
233A95.4Very high93.6Very high11 Ų1135.3 Ų35.39%0.09120%0.199CC..Hα-helixtrans-59-44.1174.500000111G229 M230 G237 V240 I262G229-A233 WeakPolarHBondContact O-CB 3.44Å; G229-A233 PolarHBondContact O-N 2.85Å; M230-A233 PolarHBondContact O-N 2.78Å; A233-G237 VanDerWaalsContact O-CA 3.31Å; A233-G237 WeakPolarHBondContact O-CA 3.36Å; A233-G237 PolarHBondContact O-N 2.83Å; A233-V240 HydrophobicContact CB-CB 4.28Å; A233-V240 HydrophobicContact CB-CG2 3.62Å; A233-I262 HydrophobicContact CB-CG2 3.68Å
234Y93.5Very high93.6Very high194 Ų19436 Ų3676%0.76120%0.202SC*.Hα-helixtrans-67.3-49.7178.4-176.6-95.7000112.7M230 A231 L232M230-Y234 WeakPolarHBondContact O-CB 3.41Å; M230-Y234 PolarHBondContact O-N 2.88Å; A231-Y234 PolarHBondContact O-N 3.05Å; L232-Y234 VanDerWaalsContact C-N 3.29Å; L232-Y234 PolarHBondContact O-N 2.89Å
235Q91.3Very high93.6Very high107 Ų10739.2 Ų39.250%0.522%0.217SC..Hα-helixtrans-66.7-39.2-176.4-178.1-176.4-5.400112.6A231A231-Q235 VanDerWaalsContact O-CB 3.3Å; A231-Q235 WeakPolarHBondContact O-CB 3.06Å; A231-Q235 PolarHBondContact O-N 3.3Å
236T90.6Very high93.2Very high33 Ų3339.7 Ų39.720%0.20223%0.225CC..Hα-helixtrans-98.6-18.3-172.768.80000113.7A210 L218 L232 R238A210-T236 HydrophobicContact CB-CG2 3.6Å; L218-T236 HydrophobicContact CD1-CG2 4.33Å; L232-T236 WeakPolarHBondContact O-CB 3.15Å; L232-T236 WeakPolarHBondContact O-CG2 3.44Å; L232-T236 PolarHBondContact O-N 2.91Å; L232-T236 PolarHBondContact O-OG1 3.14Å; T236-R238 PolarHBondContact O-N 3.05Å; T236-R238 WeakPolarHBondContact OG1-CB 3.26Å; T236-R238 PolarHBondContact OG1-N 3.14Å
237G91.2Very high92.7Very high71 Ų7143 Ų4373%0.73224%0.242SC*.  trans63.713.6-170.700000114.1A233A233-G237 VanDerWaalsContact O-CA 3.31Å; A233-G237 WeakPolarHBondContact O-CA 3.36Å; A233-G237 PolarHBondContact O-N 2.83Å
238R92.3Very high91.8Very high64 Ų6449.1 Ų49.124%0.24226%0.263CS..  trans-92155.6-179.3-61.6179.4178.1-1573.4110.8L213 P214 L218 T236L213-R238 PolarHBondContact O-NH2 2.88Å; P214-R238 PolarHBondContact O-NH1 3.27Å; L218-R238 HydrophobicContact CG-CB 4.46Å; T236-R238 PolarHBondContact O-N 3.05Å; T236-R238 WeakPolarHBondContact OG1-CB 3.26Å; T236-R238 PolarHBondContact OG1-N 3.14Å
239S94.2Very high91.2Very high84 Ų8449.4 Ų49.459%0.58727%0.266SS*.  trans-63.9135.3169.2-56.80000110.4T217 L218T217-S239 WeakPolarHBondContact CA-O 3.47Å; T217-S239 WeakPolarHBondContact CG2-O 3.39Å; L218-S239 PolarHBondContact N-O 3.03Å
240V97Very high90.6Very high3 Ų349.6 Ų49.62%0.01827%0.267CS..EExtended strand (participates in β ladder)trans-123.7128.1177-173.60000109.3L218 A233 M242 D265L218-V240 HydrophobicContact CB-CG1 4.44Å; L218-V240 HydrophobicContact CB-CG2 4.19Å; L218-V240 HydrophobicContact CD1-CG2 4.28Å; L218-V240 HydrophobicContact CG-CG2 4.49Å; L218-V240 WeakPolarHBondContact O-CA 3.36Å; A233-V240 HydrophobicContact CB-CB 4.28Å; A233-V240 HydrophobicContact CB-CG2 3.62Å; V240-M242 HydrophobicContact CG1-CG 3.95Å; V240-D265 PolarHBondContact O-N 2.92Å
241E97.7Very high90Very high1 Ų154.1 Ų54.11%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-95.2125167.7-169.5170.9170.300107.7T217 L218 L219 D220 I243 D265 H267 H276 Y280T217-E241 HydrophobicContact CG2-CB 4.44Å; L218-E241 PolarHBondContact O-N 2.89Å; L219-E241 CarbonylContact C-O 3.54Å; L219-E241 WeakPolarHBondContact CA-O 3.39Å; L219-E241 HydrophobicContact CD1-CB 3.98Å; L219-E241 HydrophobicContact CD1-CG 4.05Å; D220-E241 PolarHBondContact N-O 2.92Å; E241-I243 HydrophobicContact CG-CG2 4.45Å; E241-D265 CarbonylContact C-O 3.53Å; E241-D265 WeakPolarHBondContact CA-O 3.47Å; E241-D265 HydrophobicContact CG-CB 4.47Å; E241-H267 IonicContact OE1-CE1 2.93Å; E241-H267 PolarHBondContact OE1-CE1 2.88Å; E241-H267 VanDerWaalsContact OE1-CE1 3.24Å; E241-H267 IonicContact OE1-NE2 3.15Å; E241-H276 IonicContact OE1-CG 2.83Å; E241-H276 PolarHBondContact OE1-N 3.39Å; E241-Y280 HydrophobicContact CB-CE1 4.21Å; E241-Y280 PolarHBondContact OE1-OH 2.96Å; E241-Y280 WeakPolarHBondContact OE2-CE1 3.23Å; E241-Y280 PolarHBondContact OE2-OH 2.78Å
242M97.4Very high89.6Confident0 Ų056.7 Ų56.70%030%0.298CS..EExtended strand (participates in β ladder)trans-120.6124.9-177.9-67.4-168.4-102.500109.3D220 C223 M230 V240 A264 D265 I266 H267D220-M242 HydrophobicContact CB-CG 4.05Å; C223-M242 HydrophobicContact CB-CB 3.83Å; C223-M242 HydrophobicContact CB-CG 4.31Å; C223-M242 HydrophobicContact CB-SD 4.4Å; M230-M242 HydrophobicContact CG-CE 3.82Å; M230-M242 HydrophobicContact CG-SD 4.48Å; V240-M242 HydrophobicContact CG1-CG 3.95Å; M242-A264 HydrophobicContact CE-CB 3.29Å; M242-D265 PolarHBondContact N-O 3.36Å; M242-I266 HydrophobicContact CB-CG1 4.2Å; M242-I266 HydrophobicContact CB-CG2 4.21Å; M242-I266 HydrophobicContact CE-CD1 3.39Å; M242-I266 HydrophobicContact CE-CG1 3.67Å; M242-I266 WeakPolarHBondContact O-CA 3.27Å; M242-I266 HydrophobicContact SD-CD1 4.38Å; M242-H267 PolarHBondContact O-N 2.86Å
243I96.8Very high89.3Confident1 Ų156.7 Ų56.71%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-128.8142.9-175.358.1170000112.2L219 D220 V221 G222 C223 E241 H267 L269 I271 L275L219-I243 HydrophobicContact CD1-CD1 4.15Å; L219-I243 HydrophobicContact CD1-CG1 4.19Å; D220-I243 WeakPolarHBondContact O-CG1 3.49Å; D220-I243 PolarHBondContact O-N 2.8Å; V221-I243 HydrophobicContact CG1-CD1 4.32Å; V221-I243 HydrophobicContact CG2-CD1 4.4Å; G222-I243 WeakPolarHBondContact CA-O 3.46Å; G222-I243 PolarHBondContact N-O 2.92Å; C223-I243 PolarHBondContact N-O 3.21Å; E241-I243 HydrophobicContact CG-CG2 4.45Å; I243-H267 WeakPolarHBondContact CA-O 3.31Å; I243-L269 HydrophobicContact CB-CB 3.98Å; I243-L269 HydrophobicContact CD1-CB 4.47Å; I243-L269 HydrophobicContact CD1-CD2 4.25Å; I243-L269 HydrophobicContact CG2-CB 3.92Å; I243-L269 HydrophobicContact CG2-CD2 4.23Å; I243-I271 WeakPolarHBondContact CD1-O 3.25Å; I243-L275 HydrophobicContact CD1-CD2 3.99Å; I243-L275 HydrophobicContact CG2-CD2 4.5Å
244D92.4Very high89.2Confident22 Ų2260.5 Ų60.512%0.11831%0.314CS..EExtended strand (participates in β ladder)trans-146.8149.6172.4-155-67.2000110.6C223 G224 N246 A249 V250 Q268 L269C223-D244 PolarHBondContact N-OD2 3.06Å; G224-D244 PolarHBondContact N-OD2 3.12Å; D244-N246 VanDerWaalsContact C-N 3.28Å; D244-N246 WeakPolarHBondContact OD1-CB 3.47Å; D244-N246 PolarHBondContact OD1-N 2.67Å; D244-A249 HydrophobicContact CB-CB 4.24Å; D244-V250 HydrophobicContact CB-CG2 4.03Å; D244-Q268 CarbonylContact O-C 3Å; D244-Q268 VanDerWaalsContact O-CA 3.28Å; D244-Q268 WeakPolarHBondContact O-CA 3.24Å; D244-Q268 WeakPolarHBondContact O-CG 3.35Å; D244-L269 CarbonylContact C-O 3.56Å; D244-L269 PolarHBondContact O-N 2.93Å
245V89Confident89Confident92 Ų9252.5 Ų52.556%0.55829%0.29SS*.SBendtrans-73.5-26.6174.868.70000111.2Q268 L269 N270V245-Q268 PolarHBondContact O-NE2 2.93Å; V245-L269 PolarHBondContact N-O 2.83Å; V245-N270 HydrophobicContact CG2-CB 4.41Å
246N78Confident88.9Confident85 Ų8548.9 Ų48.946%0.45527%0.274SS..  trans-89.1112.6-178.4-174.1-18.1000111D244 R248 A249 V250D244-N246 VanDerWaalsContact C-N 3.28Å; D244-N246 WeakPolarHBondContact OD1-CB 3.47Å; D244-N246 PolarHBondContact OD1-N 2.67Å; N246-R248 VanDerWaalsContact C-N 3.25Å; N246-R248 PolarHBondContact O-N 3.09Å; N246-R248 WeakPolarHBondContact OD1-CB 3.43Å; N246-R248 PolarHBondContact OD1-N 3.04Å; N246-A249 HydrophobicContact CB-CB 3.99Å; N246-A249 VanDerWaalsContact O-CB 3.31Å; N246-A249 WeakPolarHBondContact O-CB 3.29Å; N246-A249 PolarHBondContact O-N 2.86Å; N246-V250 PolarHBondContact O-N 3.29Å
247N81.4Confident89Confident68 Ų6847.6 Ų47.636%0.36427%0.267SS..Hα-helixtrans-60.6-30.3178.9-170.866.6000113.6A249 V250 E251N247-A249 VanDerWaalsContact C-N 3.34Å; N247-V250 WeakPolarHBondContact O-CB 3.07Å; N247-V250 PolarHBondContact O-N 3.07Å; N247-E251 PolarHBondContact ND2-OE1 3.06Å; N247-E251 WeakPolarHBondContact O-CG 2.99Å; N247-E251 PolarHBondContact O-N 3.36Å
248R73.5Confident89Confident146 Ų14652.9 Ų52.955%0.55127%0.27SS*.Hα-helixtrans-66.2-38.3175.4-174.5176.5-179.9177.3-1.2111.3D102 N246 E251 L252D102-R248 IonicContact OD2-NH1 3.7Å; D102-R248 PolarHBondContact OD2-NH1 3.08Å; D102-R248 VanDerWaalsContact OD2-NH1 3.15Å; D102-R248 IonicContact OD2-NH2 2.59Å; N246-R248 VanDerWaalsContact C-N 3.25Å; N246-R248 PolarHBondContact O-N 3.09Å; N246-R248 WeakPolarHBondContact OD1-CB 3.43Å; N246-R248 PolarHBondContact OD1-N 3.04Å; R248-E251 PolarHBondContact O-N 3.09Å; R248-L252 HydrophobicContact CG-CD1 4.44Å; R248-L252 WeakPolarHBondContact O-CG 3.21Å; R248-L252 PolarHBondContact O-N 3.17Å
249A81.8Confident88.9Confident11 Ų1159.3 Ų59.39%0.09129%0.294CS..Hα-helixtrans-63.7-46.1176.400000110.4G224 D244 N246 N247 E251 L252 A253G224-A249 CarbonylContact O-C 3.51Å; G224-A249 VanDerWaalsContact O-C 3.23Å; G224-A249 WeakPolarHBondContact O-CB 3.49Å; D244-A249 HydrophobicContact CB-CB 4.24Å; N246-A249 HydrophobicContact CB-CB 3.99Å; N246-A249 VanDerWaalsContact O-CB 3.31Å; N246-A249 WeakPolarHBondContact O-CB 3.29Å; N246-A249 PolarHBondContact O-N 2.86Å; N247-A249 VanDerWaalsContact C-N 3.34Å; A249-E251 PolarHBondContact O-N 3.22Å; A249-L252 PolarHBondContact O-N 3.11Å; A249-A253 WeakPolarHBondContact O-CB 3.3Å; A249-A253 PolarHBondContact O-N 3.02Å
250V84.5Confident88.7Confident3 Ų360.6 Ų60.62%0.01829%0.294CS..Hα-helixtrans-56.4-48.2173.5173.20000112.1D244 N246 N247 L252 A253 Q254 I266 Q268D244-V250 HydrophobicContact CB-CG2 4.03Å; N246-V250 PolarHBondContact O-N 3.29Å; N247-V250 WeakPolarHBondContact O-CB 3.07Å; N247-V250 PolarHBondContact O-N 3.07Å; V250-L252 PolarHBondContact O-N 3.05Å; V250-A253 PolarHBondContact O-N 2.8Å; V250-Q254 HydrophobicContact CG1-CG 4.46Å; V250-Q254 WeakPolarHBondContact O-CB 3.41Å; V250-Q254 VanDerWaalsContact O-CG 3.29Å; V250-Q254 WeakPolarHBondContact O-CG 3.31Å; V250-Q254 PolarHBondContact O-N 3.05Å; V250-I266 HydrophobicContact CG1-CG2 4.18Å; V250-Q268 HydrophobicContact CG2-CB 4.23Å
251E83.2Confident88.5Confident111 Ų11163.7 Ų63.752%0.51933%0.327SS..Hα-helixtrans-61.4-42.1178.1-75172.9-174.400112.3N247 R248 A249 G255N247-E251 PolarHBondContact ND2-OE1 3.06Å; N247-E251 WeakPolarHBondContact O-CG 2.99Å; N247-E251 PolarHBondContact O-N 3.36Å; R248-E251 PolarHBondContact O-N 3.09Å; A249-E251 PolarHBondContact O-N 3.22Å; E251-G255 PolarHBondContact O-N 2.97Å
252L85.4Confident88.2Confident83 Ų8365.1 Ų65.144%0.43533%0.334SS..Hα-helixtrans-64-44.9174.9-72.3170.9000111.4R248 A249 V250 G255 N256R248-L252 HydrophobicContact CG-CD1 4.44Å; R248-L252 WeakPolarHBondContact O-CG 3.21Å; R248-L252 PolarHBondContact O-N 3.17Å; A249-L252 PolarHBondContact O-N 3.11Å; V250-L252 PolarHBondContact O-N 3.05Å; L252-G255 PolarHBondContact O-N 3.23Å; L252-N256 WeakPolarHBondContact O-CB 3.15Å; L252-N256 PolarHBondContact O-N 3.35Å; L252-N256 PolarHBondContact O-ND2 3.42Å
253A89.8Confident87.9Confident0 Ų074 Ų740%038%0.375CS..Hα-helixtrans-62-43.7177.400000112.1Y225 A249 V250 G255 N256 A257 I266Y225-A253 VanDerWaalsContact O-CA 3.31Å; Y225-A253 WeakPolarHBondContact O-CA 3.38Å; A249-A253 WeakPolarHBondContact O-CB 3.3Å; A249-A253 PolarHBondContact O-N 3.02Å; V250-A253 PolarHBondContact O-N 2.8Å; A253-G255 PolarHBondContact O-N 2.91Å; A253-N256 PolarHBondContact O-N 3.23Å; A253-A257 VanDerWaalsContact O-CB 3.3Å; A253-A257 WeakPolarHBondContact O-CB 3.28Å; A253-A257 PolarHBondContact O-N 3.07Å; A253-I266 HydrophobicContact CB-CD1 4.19Å; A253-I266 HydrophobicContact CB-CG2 3.82Å
254Q93Very high87.6Confident92 Ų9275.5 Ų75.543%0.4339%0.388SS..Hα-helixtrans-60.4-44.5172.6-72.7173.4-7.100112.1V250 K258 I266V250-Q254 HydrophobicContact CG1-CG 4.46Å; V250-Q254 WeakPolarHBondContact O-CB 3.41Å; V250-Q254 VanDerWaalsContact O-CG 3.29Å; V250-Q254 WeakPolarHBondContact O-CG 3.31Å; V250-Q254 PolarHBondContact O-N 3.05Å; Q254-K258 WeakPolarHBondContact O-CB 3.44Å; Q254-K258 PolarHBondContact O-N 3.44Å; Q254-I266 HydrophobicContact CG-CB 3.83Å; Q254-I266 HydrophobicContact CG-CD1 4.36Å; Q254-I266 HydrophobicContact CG-CG2 4.02Å; Q254-I266 PolarHBondContact NE2-O 2.84Å
255G88.1Confident87.8Confident26 Ų2677.3 Ų77.327%0.26840%0.398SS..Hα-helixtrans-60.8-44.5175.500000112.4E251 L252 A253 R259E251-G255 PolarHBondContact O-N 2.97Å; L252-G255 PolarHBondContact O-N 3.23Å; A253-G255 PolarHBondContact O-N 2.91Å; G255-R259 VanDerWaalsContact O-CG 3.32Å; G255-R259 WeakPolarHBondContact O-CG 3.42Å; G255-R259 PolarHBondContact O-N 3.35Å
256N89.3Confident88.1Confident31 Ų3173.5 Ų73.517%0.16637%0.374CS..Hα-helixtrans-69.3-42.8179.7-68.7-24.4000112Y225 M230 L252 A253 K258 R259 N260Y225-N256 PolarHBondContact O-ND2 2.82Å; M230-N256 HydrophobicContact CE-CB 3.55Å; M230-N256 VanDerWaalsContact SD-C 3.59Å; M230-N256 HydrophobicContact SD-CB 3.78Å; L252-N256 WeakPolarHBondContact O-CB 3.15Å; L252-N256 PolarHBondContact O-N 3.35Å; L252-N256 PolarHBondContact O-ND2 3.42Å; A253-N256 PolarHBondContact O-N 3.23Å; N256-K258 VanDerWaalsContact C-N 3.31Å; N256-K258 PolarHBondContact O-N 2.86Å; N256-R259 PolarHBondContact O-N 3.12Å; N256-N260 PolarHBondContact O-N 2.91Å; N256-N260 PolarHBondContact O-ND2 2.92Å
257A92.5Very high89Confident5 Ų571 Ų714%0.04136%0.359CS..Hα-helixtrans-59.7-44.9176.300000110.7M230 A253 R259 N260 G261 I262 I266M230-A257 HydrophobicContact CG-CB 4.38Å; M230-A257 VanDerWaalsContact SD-CA 3.56Å; M230-A257 HydrophobicContact SD-CB 4.06Å; M230-A257 PolarHBondContact SD-N 3.27Å; M230-A257 VanDerWaalsContact SD-N 3.37Å; A253-A257 VanDerWaalsContact O-CB 3.3Å; A253-A257 WeakPolarHBondContact O-CB 3.28Å; A253-A257 PolarHBondContact O-N 3.07Å; A257-R259 PolarHBondContact O-N 3.08Å; A257-N260 CarbonylContact O-C 3.57Å; A257-N260 PolarHBondContact O-N 3.3Å; A257-G261 PolarHBondContact O-N 3.43Å; A257-I262 PolarHBondContact O-N 3.18Å; A257-I266 HydrophobicContact CB-CD1 3.74Å
258K92.6Very high89.5Confident182 Ų18272.8 Ų72.879%0.79137%0.366SS*.Hα-helixtrans-61.2-43.6174.8-175.1-179.6179.1-178.50112.8Q254 N256 N260 G261Q254-K258 WeakPolarHBondContact O-CB 3.44Å; Q254-K258 PolarHBondContact O-N 3.44Å; N256-K258 VanDerWaalsContact C-N 3.31Å; N256-K258 PolarHBondContact O-N 2.86Å; K258-N260 VanDerWaalsContact C-N 3.28Å; K258-N260 PolarHBondContact O-N 2.93Å; K258-G261 PolarHBondContact O-N 2.81Å
259R90.1Very high90.4Very high200 Ų20066.8 Ų66.876%0.75535%0.345SS*.Hα-helixtrans-64.1-33.2178.1-74.8178.2-150.6175.87.4112.5G255 N256 A257G255-R259 VanDerWaalsContact O-CG 3.32Å; G255-R259 WeakPolarHBondContact O-CG 3.42Å; G255-R259 PolarHBondContact O-N 3.35Å; N256-R259 PolarHBondContact O-N 3.12Å; A257-R259 PolarHBondContact O-N 3.08Å
260N89.5Confident90.8Very high110 Ų11069.8 Ų69.859%0.58836%0.359SS*.Hα-helixtrans-93.30.6-179.2-68.8-73.4000113.7N256 A257 K258 I262N256-N260 PolarHBondContact O-N 2.91Å; N256-N260 PolarHBondContact O-ND2 2.92Å; A257-N260 CarbonylContact O-C 3.57Å; A257-N260 PolarHBondContact O-N 3.3Å; K258-N260 VanDerWaalsContact C-N 3.28Å; K258-N260 PolarHBondContact O-N 2.93Å; N260-I262 VanDerWaalsContact C-N 3.27Å; N260-I262 HydrophobicContact CB-CD1 3.89Å; N260-I262 HydrophobicContact CB-CG1 4.08Å; N260-I262 PolarHBondContact O-N 2.82Å
261G91.6Very high91.1Very high68 Ų6870.3 Ų70.370%0.70136%0.361SS*.THydrogen-bonded Turntrans6627.1-179.100000114A257 K258A257-G261 PolarHBondContact O-N 3.43Å; K258-G261 PolarHBondContact O-N 2.81Å
262I92.7Very high91.5Very high31 Ų3166.5 Ų66.516%0.15934%0.343CS..  trans-95.9123.1-178.6-63.7172.1000109M230 A233 A257 N260 A264M230-I262 HydrophobicContact CB-CD1 3.72Å; M230-I262 HydrophobicContact CG-CD1 4.12Å; M230-I262 HydrophobicContact SD-CD1 4.48Å; A233-I262 HydrophobicContact CB-CG2 3.68Å; A257-I262 PolarHBondContact O-N 3.18Å; N260-I262 VanDerWaalsContact C-N 3.27Å; N260-I262 HydrophobicContact CB-CD1 3.89Å; N260-I262 HydrophobicContact CB-CG1 4.08Å; N260-I262 PolarHBondContact O-N 2.82Å; I262-A264 HydrophobicContact CG2-CB 4.44Å
263E90Very high91.7Very high187 Ų18768.4 Ų68.487%0.87435%0.349SS*.  trans-84.6109.9171.2-67.6-171.1171.200109.9
264A91.6Very high91.7Very high32 Ų3274.1 Ų74.126%0.26438%0.384SS..  trans-140.5151.5176.200000110.7M242 I262 I266M242-A264 HydrophobicContact CE-CB 3.29Å; I262-A264 HydrophobicContact CG2-CB 4.44Å; A264-I266 HydrophobicContact CB-CD1 4.29Å; A264-I266 HydrophobicContact CB-CG1 4.06Å
265D95.7Very high91.6Very high60 Ų6070.8 Ų70.832%0.32137%0.369SS..EExtended strand (participates in β ladder)trans-89.4105.6176.5-176.7-5.8000109V240 E241 M242 H267 H276V240-D265 PolarHBondContact O-N 2.92Å; E241-D265 CarbonylContact C-O 3.53Å; E241-D265 WeakPolarHBondContact CA-O 3.47Å; E241-D265 HydrophobicContact CG-CB 4.47Å; M242-D265 PolarHBondContact N-O 3.36Å; D265-H267 IonicContact OD1-CE1 3.56Å; D265-H267 IonicContact OD1-ND1 2.78Å; D265-H267 PolarHBondContact OD1-ND1 2.83Å; D265-H276 IonicContact OD1-CE1 3.68Å; D265-H276 IonicContact OD1-ND1 2.82Å; D265-H276 IonicContact OD2-CE1 3.77Å; D265-H276 IonicContact OD2-CG 3.61Å; D265-H276 IonicContact OD2-ND1 3.85Å; D265-H276 PolarHBondContact OD2-ND1 2.76Å
266I96.3Very high91.8Very high13 Ų1375 Ų757%0.06738%0.382CS..EExtended strand (participates in β ladder)trans-123114.9-170.7-45-178.4000109.5M242 V250 A253 Q254 A257 A264M242-I266 HydrophobicContact CB-CG1 4.2Å; M242-I266 HydrophobicContact CB-CG2 4.21Å; M242-I266 HydrophobicContact CE-CD1 3.39Å; M242-I266 HydrophobicContact CE-CG1 3.67Å; M242-I266 WeakPolarHBondContact O-CA 3.27Å; M242-I266 HydrophobicContact SD-CD1 4.38Å; V250-I266 HydrophobicContact CG1-CG2 4.18Å; A253-I266 HydrophobicContact CB-CD1 4.19Å; A253-I266 HydrophobicContact CB-CG2 3.82Å; Q254-I266 HydrophobicContact CG-CB 3.83Å; Q254-I266 HydrophobicContact CG-CD1 4.36Å; Q254-I266 HydrophobicContact CG-CG2 4.02Å; Q254-I266 PolarHBondContact NE2-O 2.84Å; A257-I266 HydrophobicContact CB-CD1 3.74Å; A264-I266 HydrophobicContact CB-CD1 4.29Å; A264-I266 HydrophobicContact CB-CG1 4.06Å
267H96Very high91.8Very high31 Ų3177.7 Ų77.714%0.14439%0.393CS..EExtended strand (participates in β ladder)trans-150.9158.7-176.458.4-95.2000112.9E241 M242 I243 D265 L269 H276E241-H267 IonicContact OE1-CE1 2.93Å; E241-H267 PolarHBondContact OE1-CE1 2.88Å; E241-H267 VanDerWaalsContact OE1-CE1 3.24Å; E241-H267 IonicContact OE1-NE2 3.15Å; M242-H267 PolarHBondContact O-N 2.86Å; I243-H267 WeakPolarHBondContact CA-O 3.31Å; D265-H267 IonicContact OD1-CE1 3.56Å; D265-H267 IonicContact OD1-ND1 2.78Å; D265-H267 PolarHBondContact OD1-ND1 2.83Å; H267-L269 PolarHBondContact O-N 3.01Å; H267-H276 AromaticContact CE1-CE1 3.53Å; H267-H276 AromaticContact CE1-ND1 3.53Å; H267-H276 AromaticContact ND1-CE1 3.55Å; H267-H276 AromaticContact ND1-ND1 3.82Å
268Q93.5Very high91.8Very high106 Ų10686.2 Ų86.250%0.49543%0.43SS..EExtended strand (participates in β ladder)trans-74.1124.8179-170.3-171.78.800110.1D244 V245 V250D244-Q268 CarbonylContact O-C 3Å; D244-Q268 VanDerWaalsContact O-CA 3.28Å; D244-Q268 WeakPolarHBondContact O-CA 3.24Å; D244-Q268 WeakPolarHBondContact O-CG 3.35Å; V245-Q268 PolarHBondContact O-NE2 2.93Å; V250-Q268 HydrophobicContact CG2-CB 4.23Å
269L91.7Very high91.8Very high21 Ų2182.6 Ų82.611%0.1142%0.415CS..  trans-155.1145.2176.2-157.968.8000110.4I243 D244 V245 H267 E273 L275I243-L269 HydrophobicContact CB-CB 3.98Å; I243-L269 HydrophobicContact CD1-CB 4.47Å; I243-L269 HydrophobicContact CD1-CD2 4.25Å; I243-L269 HydrophobicContact CG2-CB 3.92Å; I243-L269 HydrophobicContact CG2-CD2 4.23Å; D244-L269 CarbonylContact C-O 3.56Å; D244-L269 PolarHBondContact O-N 2.93Å; V245-L269 PolarHBondContact N-O 2.83Å; H267-L269 PolarHBondContact O-N 3.01Å; L269-E273 HydrophobicContact CD1-CB 3.76Å; L269-E273 HydrophobicContact CD2-CB 4.48Å; L269-E273 HydrophobicContact CG-CB 4.02Å; L269-L275 HydrophobicContact CD2-CD2 3.53Å; L269-L275 HydrophobicContact CD2-CG 4.08Å
270N90Very high92.1Very high73 Ų7373 Ų7339%0.3938%0.379SS..SBendtrans-93.2106.3173.117435.1000110.1V245 Y272 E273V245-N270 HydrophobicContact CG2-CB 4.41Å; N270-Y272 PolarHBondContact O-N 3.42Å; N270-Y272 VanDerWaalsContact O-N 3.07Å; N270-E273 HydrophobicContact CB-CG 4.48Å; N270-E273 WeakPolarHBondContact CB-OE1 3.08Å; N270-E273 PolarHBondContact ND2-OE1 2.89Å; N270-E273 WeakPolarHBondContact O-CG 3.38Å; N270-E273 PolarHBondContact O-N 2.73Å
271I90Very high92.2Very high14 Ų1467.8 Ų67.87%0.07235%0.351CS..THydrogen-bonded Turntrans53.6-107.6179.5-50.5170.1000111.7I243 V295 Q298 I299I243-I271 WeakPolarHBondContact CD1-O 3.25Å; I271-V295 HydrophobicContact CD1-CG1 4.19Å; I271-Q298 HydrophobicContact CD1-CB 4.22Å; I271-Q298 HydrophobicContact CD1-CG 4.06Å; I271-I299 HydrophobicContact CD1-CG1 4.22Å; I271-I299 HydrophobicContact CG1-CG1 4.07Å; I271-I299 HydrophobicContact CG2-CG1 3.83Å
272Y92.2Very high92.4Very high32 Ų3264.6 Ų64.613%0.12532%0.318CS..THydrogen-bonded Turntrans-123.146.2-173.9-52.7-54.6000111.2L219 V221 N270 L275 I283 I299 D302 A303 L306L219-Y272 HydrophobicContact CD2-CD1 4.01Å; L219-Y272 HydrophobicContact CD2-CE1 3.75Å; V221-Y272 HydrophobicContact CG1-CE1 4.38Å; V221-Y272 HydrophobicContact CG2-CD1 4.44Å; V221-Y272 HydrophobicContact CG2-CE1 3.5Å; N270-Y272 PolarHBondContact O-N 3.42Å; N270-Y272 VanDerWaalsContact O-N 3.07Å; Y272-L275 HydrophobicContact CD1-CD1 3.99Å; Y272-L275 HydrophobicContact CG-CD1 4.5Å; Y272-I283 HydrophobicContact CE1-CG2 4.36Å; Y272-I299 WeakPolarHBondContact CE2-O 3.32Å; Y272-I299 PolarHBondContact OH-O 3.09Å; Y272-D302 HydrophobicContact CD2-CB 3.53Å; Y272-D302 HydrophobicContact CE2-CB 3.89Å; Y272-A303 HydrophobicContact CE2-CB 4.19Å; Y272-L306 HydrophobicContact CD1-CD1 3.59Å; Y272-L306 HydrophobicContact CD2-CD1 3.97Å; Y272-L306 HydrophobicContact CE1-CD1 4.04Å; Y272-L306 HydrophobicContact CE2-CD1 4.43Å; Y272-L306 HydrophobicContact CG-CD1 3.54Å
273E90Very high92.6Very high123 Ų12363.1 Ų63.158%0.57531%0.311SS*.SBendtrans-62.1-114.9176-79.9175.7-17700111.6L269 N270 L275L269-E273 HydrophobicContact CD1-CB 3.76Å; L269-E273 HydrophobicContact CD2-CB 4.48Å; L269-E273 HydrophobicContact CG-CB 4.02Å; N270-E273 HydrophobicContact CB-CG 4.48Å; N270-E273 WeakPolarHBondContact CB-OE1 3.08Å; N270-E273 PolarHBondContact ND2-OE1 2.89Å; N270-E273 WeakPolarHBondContact O-CG 3.38Å; N270-E273 PolarHBondContact O-N 2.73Å; E273-L275 PolarHBondContact O-N 2.97Å
274T89Confident92.9Very high119 Ų11954.3 Ų54.373%0.7327%0.269SS*.SBendtrans-99.288.1176.3-54.50000109.9
275L92.3Very high93.1Very high23 Ų2352.8 Ų52.812%0.1226%0.257CS..  trans-67.8154.4172.4-67168.8000111.8L219 I243 L269 Y272 E273 Y280 L306L219-L275 HydrophobicContact CD1-CD2 4.03Å; L219-L275 HydrophobicContact CD2-CD1 4.1Å; L219-L275 HydrophobicContact CD2-CD2 4.22Å; I243-L275 HydrophobicContact CD1-CD2 3.99Å; I243-L275 HydrophobicContact CG2-CD2 4.5Å; L269-L275 HydrophobicContact CD2-CD2 3.53Å; L269-L275 HydrophobicContact CD2-CG 4.08Å; Y272-L275 HydrophobicContact CD1-CD1 3.99Å; Y272-L275 HydrophobicContact CG-CD1 4.5Å; E273-L275 PolarHBondContact O-N 2.97Å; L275-Y280 WeakPolarHBondContact CB-OH 3.46Å; L275-Y280 HydrophobicContact CD1-CE2 3.84Å; L275-L306 HydrophobicContact CD1-CD1 3.76Å; L275-L306 HydrophobicContact CD1-CD2 4.21Å
276H90.6Very high93Very high113 Ų11351.8 Ų51.852%0.52325%0.252SS..SBendtrans-78.3-26.1178.2-67.4164.2000113.1E241 D265 H267E241-H276 IonicContact OE1-CG 2.83Å; E241-H276 PolarHBondContact OE1-N 3.39Å; D265-H276 IonicContact OD1-CE1 3.68Å; D265-H276 IonicContact OD1-ND1 2.82Å; D265-H276 IonicContact OD2-CE1 3.77Å; D265-H276 IonicContact OD2-CG 3.61Å; D265-H276 IonicContact OD2-ND1 3.85Å; D265-H276 PolarHBondContact OD2-ND1 2.76Å; H267-H276 AromaticContact CE1-CE1 3.53Å; H267-H276 AromaticContact CE1-ND1 3.53Å; H267-H276 AromaticContact ND1-CE1 3.55Å; H267-H276 AromaticContact ND1-ND1 3.82Å
277Q91.1Very high92.8Very high88 Ų8851.3 Ų51.341%0.41125%0.249SC..  trans-104.7158.1173.2-53.9-60.2-39.900112.1T217 Y280T217-Q277 HydrophobicContact CG2-CG 4.14Å; Q277-Y280 HydrophobicContact CB-CD1 4.5Å; Q277-Y280 HydrophobicContact CB-CE1 3.81Å; Q277-Y280 HydrophobicContact CB-CE2 4.14Å; Q277-Y280 HydrophobicContact CG-CE1 4.03Å
278K91Very high92.2Very high185 Ų18552.6 Ų52.680%0.80426%0.261SS*.SBendtrans-91.9-33175.4-67.4-175.1178.2-179.60113.3
279E93.8Very high91.7Very high105 Ų10549.5 Ų49.549%0.49125%0.247SC..  trans-143.6140.3-176-61.9175.2132.600110.1L306 K308E279-L306 CarbonylContact C-O 3.53Å; E279-L306 WeakPolarHBondContact CA-O 3.42Å; E279-K308 HydrophobicContact CB-CG 3.68Å
280Y95.4Very high90.9Very high0 Ų060 Ų600%029%0.285CS..EExtended strand (participates in β ladder)trans-118.5147.6-177-63.2-88.9000111.4T217 L219 E241 L275 Q277 L306 K308T217-Y280 HydrophobicContact CG2-CD1 4.12Å; T217-Y280 HydrophobicContact CG2-CE1 4.06Å; T217-Y280 WeakPolarHBondContact O-CA 3.34Å; L219-Y280 HydrophobicContact CB-CD1 3.59Å; L219-Y280 HydrophobicContact CB-CD2 4.34Å; L219-Y280 HydrophobicContact CB-CE1 3.72Å; L219-Y280 HydrophobicContact CB-CE2 4.48Å; L219-Y280 HydrophobicContact CB-CG 3.91Å; L219-Y280 HydrophobicContact CD1-CE1 4.17Å; L219-Y280 HydrophobicContact CD2-CD2 4.21Å; L219-Y280 HydrophobicContact CD2-CE1 4.45Å; L219-Y280 HydrophobicContact CD2-CE2 3.93Å; L219-Y280 HydrophobicContact CG-CE1 4.33Å; E241-Y280 HydrophobicContact CB-CE1 4.21Å; E241-Y280 PolarHBondContact OE1-OH 2.96Å; E241-Y280 WeakPolarHBondContact OE2-CE1 3.23Å; E241-Y280 PolarHBondContact OE2-OH 2.78Å; L275-Y280 WeakPolarHBondContact CB-OH 3.46Å; L275-Y280 HydrophobicContact CD1-CE2 3.84Å; Q277-Y280 HydrophobicContact CB-CD1 4.5Å; Q277-Y280 HydrophobicContact CB-CE1 3.81Å; Q277-Y280 HydrophobicContact CB-CE2 4.14Å; Q277-Y280 HydrophobicContact CG-CE1 4.03Å; Y280-L306 HydrophobicContact CD2-CB 4.29Å; Y280-L306 PolarHBondContact N-O 3.42Å; Y280-K308 PolarHBondContact O-N 2.81Å
281A93Very high90.1Very high0 Ų059.4 Ų59.40%029%0.29CS..EExtended strand (participates in β ladder)trans-73.6-33.8172.400000111.9P214 T217 L218 G311 T312P214-A281 HydrophobicContact CG-CB 4.22Å; P214-A281 WeakPolarHBondContact O-CB 3.47Å; T217-A281 PolarHBondContact O-N 2.93Å; L218-A281 HydrophobicContact CD2-CB 4.1Å; A281-G311 CarbonylContact O-C 3.56Å; A281-G311 WeakPolarHBondContact O-CA 3.22Å; A281-T312 PolarHBondContact O-N 2.78Å
282A94.5Very high89.6Confident1 Ų160.1 Ų60.11%0.00830%0.301CS..EExtended strand (participates in β ladder)trans-150.1151.616700000111.3F208 L213 L218 L219 T312F208-A282 HydrophobicContact CE2-CB 4.34Å; F208-A282 HydrophobicContact CZ-CB 4.1Å; L213-A282 HydrophobicContact CD1-CB 3.85Å; L213-A282 HydrophobicContact CD2-CB 4.09Å; L218-A282 WeakPolarHBondContact CA-O 3.21Å; L218-A282 HydrophobicContact CD2-CB 3.98Å; L219-A282 PolarHBondContact N-O 3.34Å; A282-T312 CarbonylContact C-O 3.55Å; A282-T312 WeakPolarHBondContact CA-O 3.43Å
283I96.3Very high89.3Confident0 Ų064.9 Ų64.90%032%0.322CS..EExtended strand (participates in β ladder)trans-116.8129169.3-58.9175.8000106.9L219 V221 Y272 A303 L306 L307 T312 L313 T314L219-I283 HydrophobicContact CB-CG1 4.18Å; L219-I283 HydrophobicContact CD2-CD1 4.42Å; L219-I283 HydrophobicContact CD2-CG1 4.24Å; L219-I283 HydrophobicContact CD2-CG2 4.31Å; L219-I283 CarbonylContact O-C 3.53Å; L219-I283 WeakPolarHBondContact O-CA 3.36Å; V221-I283 HydrophobicContact CG2-CG2 3.72Å; Y272-I283 HydrophobicContact CE1-CG2 4.36Å; I283-A303 HydrophobicContact CD1-CB 3.94Å; I283-L306 HydrophobicContact CD1-CB 3.94Å; I283-L306 HydrophobicContact CD1-CD1 4.49Å; I283-L307 HydrophobicContact CB-CD2 4.45Å; I283-L307 HydrophobicContact CD1-CD2 3.92Å; I283-L307 HydrophobicContact CD1-CG 4.04Å; I283-L307 HydrophobicContact CG1-CD2 3.87Å; I283-T312 PolarHBondContact N-O 2.7Å; I283-L313 HydrophobicContact CB-CD1 3.83Å; I283-L313 HydrophobicContact CG2-CD1 3.64Å; I283-L313 CarbonylContact O-C 3.52Å; I283-L313 WeakPolarHBondContact O-CA 3.42Å; I283-T314 PolarHBondContact O-N 2.97Å
284V96.9Very high89.3Confident1 Ų168 Ų681%0.00633%0.334CS..EExtended strand (participates in β ladder)trans-122.1150.9177.2-60.80000111.1L204 F208 L219 D220 V221 I228 L232 T314L204-V284 HydrophobicContact CD2-CB 4.33Å; L204-V284 HydrophobicContact CD2-CG1 4.47Å; F208-V284 HydrophobicContact CD2-CG1 3.8Å; F208-V284 HydrophobicContact CE2-CG1 3.37Å; F208-V284 HydrophobicContact CZ-CG1 4.31Å; L219-V284 WeakPolarHBondContact O-CG2 3.2Å; L219-V284 PolarHBondContact O-N 3.37Å; D220-V284 HydrophobicContact CB-CG2 4.03Å; V221-V284 PolarHBondContact N-O 2.76Å; I228-V284 HydrophobicContact CG2-CB 4.46Å; I228-V284 HydrophobicContact CG2-CG2 3.67Å; L232-V284 HydrophobicContact CD1-CB 4.48Å; L232-V284 HydrophobicContact CD1-CG1 4.01Å; L232-V284 HydrophobicContact CD1-CG2 3.77Å; V284-T314 VanDerWaalsContact CA-O 3.24Å; V284-T314 WeakPolarHBondContact CA-O 3.27Å
285S96.4Very high89.3Confident0 Ų064.2 Ų64.20%031%0.311CS..EExtended strand (participates in β ladder)trans-158.4139.8174.4-169.90000112.6V221 P287 T314 I315 V316V221-S285 WeakPolarHBondContact O-CB 3.36Å; V221-S285 PolarHBondContact O-OG 3.31Å; S285-P287 VanDerWaalsContact C-CD 3.48Å; S285-P287 WeakPolarHBondContact O-CD 3.26Å; S285-P287 WeakPolarHBondContact OG-CA 3.28Å; S285-T314 PolarHBondContact N-O 3.39Å; S285-T314 VanDerWaalsContact N-O 3.14Å; S285-I315 VanDerWaalsContact O-CA 3.25Å; S285-I315 WeakPolarHBondContact O-CA 3.32Å; S285-V316 PolarHBondContact O-N 2.86Å; S285-V316 VanDerWaalsContact O-N 3.1Å
286N94.1Very high89.2Confident40 Ų4063.6 Ų63.621%0.21431%0.308CS..  trans-98.981.8153.9-174.72.7000107.1D198 S201 I228 V316D198-N286 PolarHBondContact OD2-ND2 2.57Å; S201-N286 PolarHBondContact OG-ND2 3.13Å; I228-N286 HydrophobicContact CD1-CB 4.03Å; N286-V316 HydrophobicContact CB-CG1 3.61Å
287P90.9Very high89.4Confident3 Ų360.3 Ų60.32%0.01929%0.292CS..  trans-62.2146.1-161.824.7-35.8000112S285 I289 V296 I299 V316S285-P287 VanDerWaalsContact C-CD 3.48Å; S285-P287 WeakPolarHBondContact O-CD 3.26Å; S285-P287 WeakPolarHBondContact OG-CA 3.28Å; P287-I289 VanDerWaalsContact C-N 3.31Å; P287-I289 HydrophobicContact CG-CD1 4.04Å; P287-I289 WeakPolarHBondContact O-CG1 3.22Å; P287-I289 PolarHBondContact O-N 2.87Å; P287-V296 HydrophobicContact CB-CG1 4.29Å; P287-V296 HydrophobicContact CB-CG2 4.36Å; P287-V296 HydrophobicContact CG-CG1 4.36Å; P287-I299 HydrophobicContact CB-CD1 4.24Å; P287-V316 WeakPolarHBondContact CD-O 3.47Å
288P84.1Confident89.5Confident58 Ų5860.3 Ų60.338%0.37729%0.293SS..  trans-72.782.6-176.330.4-36.1000111R290 A291 V295 I299P288-R290 PolarHBondContact O-N 3.5Å; P288-R290 VanDerWaalsContact O-N 3.14Å; P288-A291 HydrophobicContact CB-CB 4.13Å; P288-A291 HydrophobicContact CG-CB 4.21Å; P288-A291 VanDerWaalsContact O-CB 3.29Å; P288-A291 WeakPolarHBondContact O-CB 3.4Å; P288-A291 PolarHBondContact O-N 3.16Å; P288-V295 HydrophobicContact CG-CG1 4.06Å; P288-I299 HydrophobicContact CG-CD1 4.41Å
289I82.5Confident89.6Confident40 Ų4051.7 Ų51.721%0.20526%0.255CS..G310 helixtrans-54.7-38.1-175.6-57-51.5000111.9P287 A291 G292 V296 I317 Q321P287-I289 VanDerWaalsContact C-N 3.31Å; P287-I289 HydrophobicContact CG-CD1 4.04Å; P287-I289 WeakPolarHBondContact O-CG1 3.22Å; P287-I289 PolarHBondContact O-N 2.87Å; I289-A291 PolarHBondContact O-N 3.3Å; I289-G292 PolarHBondContact O-N 2.9Å; I289-V296 HydrophobicContact CD1-CG2 4.02Å; I289-I317 HydrophobicContact CD1-CD1 3.56Å; I289-I317 HydrophobicContact CD1-CG1 3.89Å; I289-Q321 HydrophobicContact CG1-CB 4.3Å; I289-Q321 HydrophobicContact CG2-CB 3.83Å; I289-Q321 HydrophobicContact CG2-CG 4.08Å
290R74.9Confident89.7Confident242 Ų24246.7 Ų46.791%0.91323%0.232SC*.G310 helixtrans-65.4-23.1179.8-62.8-175.8-176.4-174.10.8113.2P288 G292P288-R290 PolarHBondContact O-N 3.5Å; P288-R290 VanDerWaalsContact O-N 3.14Å; R290-G292 PolarHBondContact O-N 3.21Å
291A73.6Confident89.5Confident60 Ų6048.2 Ų48.250%0.49624%0.242SC..G310 helixtrans-72.3-9.4173.900000112.8P288 I289 V295P288-A291 HydrophobicContact CB-CB 4.13Å; P288-A291 HydrophobicContact CG-CB 4.21Å; P288-A291 VanDerWaalsContact O-CB 3.29Å; P288-A291 WeakPolarHBondContact O-CB 3.4Å; P288-A291 PolarHBondContact O-N 3.16Å; I289-A291 PolarHBondContact O-N 3.3Å; A291-V295 HydrophobicContact CB-CB 4.07Å; A291-V295 HydrophobicContact CB-CG1 4.09Å; A291-V295 HydrophobicContact CB-CG2 3.98Å
292G79.3Confident89.6Confident29 Ų2951.5 Ų51.530%0.29926%0.26SS..  trans96.6162.4171.200000114.2I289 R290 K294 V295 V296I289-G292 PolarHBondContact O-N 2.9Å; R290-G292 PolarHBondContact O-N 3.21Å; G292-K294 PolarHBondContact O-N 3.39Å; G292-K294 VanDerWaalsContact O-N 3.11Å; G292-V295 PolarHBondContact O-N 2.82Å; G292-V295 VanDerWaalsContact O-N 3.1Å; G292-V296 PolarHBondContact O-N 3.36Å
293K86.3Confident89.5Confident133 Ų13351.5 Ų51.558%0.57826%0.26SS*.Hα-helixtrans-55.5-33.7-171.9-175.9173.2178.8171.70114.3H297 S325K293-H297 WeakPolarHBondContact CE-CE1 3.3Å; K293-H297 WeakPolarHBondContact CE-NE2 3.37Å; K293-H297 VanDerWaalsContact O-CB 3.3Å; K293-H297 WeakPolarHBondContact O-CB 3.43Å; K293-H297 PolarHBondContact O-CD2 3.13Å; K293-H297 PolarHBondContact O-N 2.79Å; K293-S325 VanDerWaalsContact CE-OG 3.26Å; K293-S325 WeakPolarHBondContact CE-OG 3.45Å; K293-S325 PolarHBondContact NZ-OG 2.78Å
294K89.7Confident89.2Confident187 Ų18756.8 Ų56.881%0.81329%0.285SS*.Hα-helixtrans-62.7-44.1179.3-71.6-175.1179.4179.40111.9G292 H297 Q298G292-K294 PolarHBondContact O-N 3.39Å; G292-K294 VanDerWaalsContact O-N 3.11Å; K294-H297 PolarHBondContact O-N 3.48Å; K294-Q298 WeakPolarHBondContact O-CB 3.36Å; K294-Q298 PolarHBondContact O-N 3.07Å
295V88.6Confident88.8Confident40 Ų4061.3 Ų61.324%0.24231%0.314CS..Hα-helixtrans-65.5-47.7179.3176.40000110I271 P288 A291 G292 H297 Q298 I299I271-V295 HydrophobicContact CD1-CG1 4.19Å; P288-V295 HydrophobicContact CG-CG1 4.06Å; A291-V295 HydrophobicContact CB-CB 4.07Å; A291-V295 HydrophobicContact CB-CG1 4.09Å; A291-V295 HydrophobicContact CB-CG2 3.98Å; G292-V295 PolarHBondContact O-N 2.82Å; G292-V295 VanDerWaalsContact O-N 3.1Å; V295-H297 PolarHBondContact O-N 3.36Å; V295-Q298 WeakPolarHBondContact O-CB 3.28Å; V295-Q298 PolarHBondContact O-N 3.45Å; V295-I299 HydrophobicContact CG1-CD1 4.31Å; V295-I299 WeakPolarHBondContact O-CG1 3.48Å; V295-I299 PolarHBondContact O-N 2.76Å
296V91.4Very high88.7Confident10 Ų1062.7 Ų62.76%0.06132%0.321CS..Hα-helixtrans-58.4-48.5176.4-177.90000110.7P287 I289 G292 Q298 I299 L300P287-V296 HydrophobicContact CB-CG1 4.29Å; P287-V296 HydrophobicContact CB-CG2 4.36Å; P287-V296 HydrophobicContact CG-CG1 4.36Å; I289-V296 HydrophobicContact CD1-CG2 4.02Å; G292-V296 PolarHBondContact O-N 3.36Å; V296-Q298 VanDerWaalsContact C-N 3.27Å; V296-Q298 PolarHBondContact O-N 3.09Å; V296-I299 PolarHBondContact O-N 2.88Å; V296-L300 HydrophobicContact CG1-CD1 4.33Å; V296-L300 WeakPolarHBondContact O-CG 2.94Å; V296-L300 PolarHBondContact O-N 2.78Å; V296-L300 VanDerWaalsContact O-N 3.14Å
297H93.2Very high88.6Confident44 Ų4461.7 Ų61.720%0.20432%0.316CS..Hα-helixtrans-62.1-33.9179-80.6-152.8000113.2K293 K294 V295 L300 S301K293-H297 WeakPolarHBondContact CE-CE1 3.3Å; K293-H297 WeakPolarHBondContact CE-NE2 3.37Å; K293-H297 VanDerWaalsContact O-CB 3.3Å; K293-H297 WeakPolarHBondContact O-CB 3.43Å; K293-H297 PolarHBondContact O-CD2 3.13Å; K293-H297 PolarHBondContact O-N 2.79Å; K294-H297 PolarHBondContact O-N 3.48Å; V295-H297 PolarHBondContact O-N 3.36Å; H297-L300 PolarHBondContact O-N 2.84Å; H297-S301 WeakPolarHBondContact O-CB 3.27Å; H297-S301 PolarHBondContact O-N 3.28Å; H297-S301 PolarHBondContact O-OG 2.98Å
298Q93Very high88.5Confident89 Ų8964.7 Ų64.742%0.41633%0.328SS..Hα-helixtrans-66.7-47.8176-171.5176.5200111.4I271 K294 V295 V296 L300 S301 D302I271-Q298 HydrophobicContact CD1-CB 4.22Å; I271-Q298 HydrophobicContact CD1-CG 4.06Å; K294-Q298 WeakPolarHBondContact O-CB 3.36Å; K294-Q298 PolarHBondContact O-N 3.07Å; V295-Q298 WeakPolarHBondContact O-CB 3.28Å; V295-Q298 PolarHBondContact O-N 3.45Å; V296-Q298 VanDerWaalsContact C-N 3.27Å; V296-Q298 PolarHBondContact O-N 3.09Å; Q298-L300 PolarHBondContact O-N 2.8Å; Q298-S301 PolarHBondContact O-N 3.46Å; Q298-D302 WeakPolarHBondContact CG-OD2 3.23Å; Q298-D302 PolarHBondContact NE2-OD2 2.85Å; Q298-D302 WeakPolarHBondContact O-CB 3.42Å; Q298-D302 PolarHBondContact O-N 3.36Å
299I94.1Very high88.3Confident4 Ų468.1 Ų68.12%0.02134%0.344CS..Hα-helixtrans-53.2-42.5173.8-66.8167.7000110.5V221 I271 Y272 P287 P288 V295 V296V221-I299 HydrophobicContact CG1-CD1 4.39Å; V221-I299 HydrophobicContact CG1-CG1 4.3Å; V221-I299 HydrophobicContact CG1-CG2 4.31Å; I271-I299 HydrophobicContact CD1-CG1 4.22Å; I271-I299 HydrophobicContact CG1-CG1 4.07Å; I271-I299 HydrophobicContact CG2-CG1 3.83Å; Y272-I299 WeakPolarHBondContact CE2-O 3.32Å; Y272-I299 PolarHBondContact OH-O 3.09Å; P287-I299 HydrophobicContact CB-CD1 4.24Å; P288-I299 HydrophobicContact CG-CD1 4.41Å; V295-I299 HydrophobicContact CG1-CD1 4.31Å; V295-I299 WeakPolarHBondContact O-CG1 3.48Å; V295-I299 PolarHBondContact O-N 2.76Å; V296-I299 PolarHBondContact O-N 2.88Å
300L94.5Very high88.1Confident0 Ų068.4 Ų68.40%036%0.357CS..Hα-helixtrans-72.6-39-179.3-56.8177.3000113.7V296 H297 Q298 L313 I315 A326 K329 M330 F334V296-L300 HydrophobicContact CG1-CD1 4.33Å; V296-L300 WeakPolarHBondContact O-CG 2.94Å; V296-L300 PolarHBondContact O-N 2.78Å; V296-L300 VanDerWaalsContact O-N 3.14Å; H297-L300 PolarHBondContact O-N 2.84Å; Q298-L300 PolarHBondContact O-N 2.8Å; L300-L313 HydrophobicContact CD2-CD2 3.98Å; L300-I315 HydrophobicContact CD1-CD1 4.42Å; L300-I315 HydrophobicContact CD2-CD1 3.66Å; L300-I315 HydrophobicContact CD2-CG2 3.78Å; L300-A326 HydrophobicContact CD1-CB 3.92Å; L300-K329 HydrophobicContact CB-CG 4.35Å; L300-K329 HydrophobicContact CD1-CB 4.16Å; L300-K329 HydrophobicContact CD1-CG 4.31Å; L300-M330 HydrophobicContact CB-CG 4.4Å; L300-M330 HydrophobicContact CD1-CG 4.16Å; L300-M330 HydrophobicContact CD2-CG 4.07Å; L300-M330 HydrophobicContact CD2-SD 4.15Å; L300-M330 HydrophobicContact CG-CG 4.41Å; L300-F334 WeakPolarHBondContact O-CE2 3.48Å; L300-F334 WeakPolarHBondContact O-CZ 3.07Å
301S92.7Very high88.7Confident31 Ų3157 Ų5722%0.21732%0.315CS..Hα-helixtrans-79.6-39-172.1-50.30000112.5H297 Q298 A303 K329H297-S301 WeakPolarHBondContact O-CB 3.27Å; H297-S301 PolarHBondContact O-N 3.28Å; H297-S301 PolarHBondContact O-OG 2.98Å; Q298-S301 PolarHBondContact O-N 3.46Å; S301-A303 VanDerWaalsContact C-N 3.25Å; S301-A303 PolarHBondContact O-N 2.87Å; S301-K329 WeakPolarHBondContact OG-CE 3.41Å
302D94.1Very high89.5Confident70 Ų7054.5 Ų54.537%0.37429%0.293SS..THydrogen-bonded Turntrans-84.5-3.3-171.3-66.1-6000112.3Y272 Q298 P305Y272-D302 HydrophobicContact CD2-CB 3.53Å; Y272-D302 HydrophobicContact CE2-CB 3.89Å; Q298-D302 WeakPolarHBondContact CG-OD2 3.23Å; Q298-D302 PolarHBondContact NE2-OD2 2.85Å; Q298-D302 WeakPolarHBondContact O-CB 3.42Å; Q298-D302 PolarHBondContact O-N 3.36Å; D302-P305 WeakPolarHBondContact O-CD 3.47Å
303A93.3Very high90.3Very high0 Ų053.1 Ų53.10%028%0.279CS..THydrogen-bonded Turntrans-75.4-32.8179.500000114.2Y272 I283 S301 L306 L307 L313 F334Y272-A303 HydrophobicContact CE2-CB 4.19Å; I283-A303 HydrophobicContact CD1-CB 3.94Å; S301-A303 VanDerWaalsContact C-N 3.25Å; S301-A303 PolarHBondContact O-N 2.87Å; A303-L306 WeakPolarHBondContact O-CB 3.43Å; A303-L306 PolarHBondContact O-N 2.88Å; A303-L307 WeakPolarHBondContact O-CG 3.32Å; A303-L313 HydrophobicContact CB-CD1 4.29Å; A303-L313 HydrophobicContact CB-CD2 3.98Å; A303-F334 HydrophobicContact CB-CZ 4.21Å
304E88.9Confident90.7Very high112 Ų11246.8 Ų46.852%0.52325%0.251SS..G310 helixtrans-49.8-50.4-176.4-168.8-162.4-175.800114.7L306 L307 V333 F334E304-L306 PolarHBondContact O-N 3.45Å; E304-L307 PolarHBondContact O-N 3.38Å; E304-V333 HydrophobicContact CB-CG1 4.15Å; E304-F334 HydrophobicContact CB-CD1 4.29Å; E304-F334 HydrophobicContact CB-CE1 3.68Å; E304-F334 HydrophobicContact CB-CZ 4.35Å; E304-F334 HydrophobicContact CG-CD1 4.21Å; E304-F334 HydrophobicContact CG-CE1 4.06Å
305P90.3Very high91Very high96 Ų9637.9 Ų37.962%0.62321%0.213SC*.G310 helixtrans-70.4-10.5-178.929.4-37.3000114.2D302D302-P305 WeakPolarHBondContact O-CD 3.47Å
306L93.6Very high91.3Very high29 Ų2936 Ų3615%0.15220%0.201CC..G310 helixtrans-97-1.6-178.1-57.9173.8000112.4Y272 L275 E279 Y280 I283 A303 E304Y272-L306 HydrophobicContact CD1-CD1 3.59Å; Y272-L306 HydrophobicContact CD2-CD1 3.97Å; Y272-L306 HydrophobicContact CE1-CD1 4.04Å; Y272-L306 HydrophobicContact CE2-CD1 4.43Å; Y272-L306 HydrophobicContact CG-CD1 3.54Å; L275-L306 HydrophobicContact CD1-CD1 3.76Å; L275-L306 HydrophobicContact CD1-CD2 4.21Å; E279-L306 CarbonylContact C-O 3.53Å; E279-L306 WeakPolarHBondContact CA-O 3.42Å; Y280-L306 HydrophobicContact CD2-CB 4.29Å; Y280-L306 PolarHBondContact N-O 3.42Å; I283-L306 HydrophobicContact CD1-CB 3.94Å; I283-L306 HydrophobicContact CD1-CD1 4.49Å; A303-L306 WeakPolarHBondContact O-CB 3.43Å; A303-L306 PolarHBondContact O-N 2.88Å; E304-L306 PolarHBondContact O-N 3.45Å
307L90.7Very high91.4Very high19 Ų1935.7 Ų35.710%0.09920%0.199CC..EExtended strand (participates in β ladder)trans-96.7133.7-176.4-71.1158.7000110.8I283 A303 E304 T312 L313 F334 M351I283-L307 HydrophobicContact CB-CD2 4.45Å; I283-L307 HydrophobicContact CD1-CD2 3.92Å; I283-L307 HydrophobicContact CD1-CG 4.04Å; I283-L307 HydrophobicContact CG1-CD2 3.87Å; A303-L307 WeakPolarHBondContact O-CG 3.32Å; E304-L307 PolarHBondContact O-N 3.38Å; L307-T312 VanDerWaalsContact CD2-O 3.3Å; L307-T312 WeakPolarHBondContact CD2-O 3.43Å; L307-L313 HydrophobicContact CD1-CB 4.37Å; L307-F334 HydrophobicContact CD1-CE1 3.84Å; L307-F334 HydrophobicContact CD1-CZ 4.44Å; L307-M351 HydrophobicContact CB-CE 4.36Å; L307-M351 HydrophobicContact CD1-CE 3.33Å; L307-M351 HydrophobicContact CD1-SD 3.51Å; L307-M351 VanDerWaalsContact CD1-SD 3.51Å; L307-M351 HydrophobicContact CD2-CE 4.32Å; L307-M351 HydrophobicContact CG-CE 4.19Å
308K89.6Confident91.2Very high65 Ų6535 Ų3528%0.28320%0.196SC..EExtended strand (participates in β ladder)trans-61.7162.4168.1-70.7-172.3178.2-167.30110.5P214 E215 E279 Y280 G310 G311P214-K308 HydrophobicContact CG-CB 4.17Å; E215-K308 WeakPolarHBondContact O-CD 3.41Å; E215-K308 PolarHBondContact O-NZ 2.74Å; E279-K308 HydrophobicContact CB-CG 3.68Å; Y280-K308 PolarHBondContact O-N 2.81Å; K308-G310 PolarHBondContact O-N 2.86Å; K308-G311 WeakPolarHBondContact O-CA 3.29Å; K308-G311 PolarHBondContact O-N 3.35Å
309D79.7Confident91Very high131 Ų13136.6 Ų36.670%0.70120%0.201SC*.EExtended strand (participates in β ladder)trans-60.5123.8168.5-159.441.7000109.6G311 R392D309-G311 VanDerWaalsContact C-N 3.28Å; D309-G311 PolarHBondContact O-N 2.88Å; D309-R392 IonicContact OD1-NH1 3.82Å
310G78.3Confident90.6Very high46 Ų4644.7 Ų44.747%0.47424%0.237SC..EExtended strand (participates in β ladder)trans78.7-0.1-170.100000115.5P214 K308P214-G310 WeakPolarHBondContact CD-O 3.24Å; K308-G310 PolarHBondContact O-N 2.86Å
311G87.9Confident90.1Very high3 Ų348.8 Ų48.83%0.03126%0.255CS..EExtended strand (participates in β ladder)trans-65.7166.8175.200000111.9A281 K308 D309 M351A281-G311 CarbonylContact O-C 3.56Å; A281-G311 WeakPolarHBondContact O-CA 3.22Å; K308-G311 WeakPolarHBondContact O-CA 3.29Å; K308-G311 PolarHBondContact O-N 3.35Å; D309-G311 VanDerWaalsContact C-N 3.28Å; D309-G311 PolarHBondContact O-N 2.88Å; G311-M351 WeakPolarHBondContact O-CE 3.12Å
312T91.4Very high89.8Confident6 Ų648.5 Ų48.54%0.03726%0.258CS..EExtended strand (participates in β ladder)trans-132.8147.4-179.364.50000113.4L213 A281 A282 I283 L307L213-T312 HydrophobicContact CD2-CG2 3.8Å; L213-T312 VanDerWaalsContact CD2-OG1 3.24Å; L213-T312 WeakPolarHBondContact CD2-OG1 3.17Å; A281-T312 PolarHBondContact O-N 2.78Å; A282-T312 CarbonylContact C-O 3.55Å; A282-T312 WeakPolarHBondContact CA-O 3.43Å; I283-T312 PolarHBondContact N-O 2.7Å; L307-T312 VanDerWaalsContact CD2-O 3.3Å; L307-T312 WeakPolarHBondContact CD2-O 3.43Å
313L94.3Very high89.7Confident0 Ų045.3 Ų45.30%024%0.241CC..EExtended strand (participates in β ladder)trans-103.2123.2160.7174.766.2000108.6I283 L300 A303 L307 I315 M330 F334 R350 M351I283-L313 HydrophobicContact CB-CD1 3.83Å; I283-L313 HydrophobicContact CG2-CD1 3.64Å; I283-L313 CarbonylContact O-C 3.52Å; I283-L313 WeakPolarHBondContact O-CA 3.42Å; L300-L313 HydrophobicContact CD2-CD2 3.98Å; A303-L313 HydrophobicContact CB-CD1 4.29Å; A303-L313 HydrophobicContact CB-CD2 3.98Å; L307-L313 HydrophobicContact CD1-CB 4.37Å; L313-I315 HydrophobicContact CD1-CG2 4.27Å; L313-I315 HydrophobicContact CG-CG2 4.42Å; L313-M330 HydrophobicContact CB-CE 4.48Å; L313-M330 HydrophobicContact CD2-CE 4.12Å; L313-M330 HydrophobicContact CG-CE 4.19Å; L313-F334 HydrophobicContact CB-CZ 4.35Å; L313-F334 HydrophobicContact CD2-CE2 3.67Å; L313-F334 HydrophobicContact CD2-CZ 3.72Å; L313-R350 CarbonylContact O-C 3.59Å; L313-R350 VanDerWaalsContact O-CA 3.31Å; L313-R350 WeakPolarHBondContact O-CA 3.42Å; L313-M351 HydrophobicContact CB-CG 4.33Å; L313-M351 HydrophobicContact CB-SD 3.91Å; L313-M351 PolarHBondContact N-SD 2.87Å; L313-M351 VanDerWaalsContact N-SD 3.43Å; L313-M351 PolarHBondContact O-N 3.43Å
314T95Very high89.5Confident1 Ų149.2 Ų49.21%0.00627%0.267CS..EExtended strand (participates in β ladder)trans-125.1125.2176.6-55.40000110.6I283 V284 S285 I348 I349 R350I283-T314 PolarHBondContact O-N 2.97Å; V284-T314 VanDerWaalsContact CA-O 3.24Å; V284-T314 WeakPolarHBondContact CA-O 3.27Å; S285-T314 PolarHBondContact N-O 3.39Å; S285-T314 VanDerWaalsContact N-O 3.14Å; T314-I348 HydrophobicContact CG2-CG2 3.6Å; T314-I349 CarbonylContact C-O 3.54Å; T314-I349 WeakPolarHBondContact CA-O 3.37Å; T314-R350 HydrophobicContact CG2-CB 4.32Å; T314-R350 WeakPolarHBondContact OG1-CG 3.16Å; T314-R350 PolarHBondContact OG1-NE 2.84Å; T314-R350 VanDerWaalsContact OG1-NE 3.13Å
315I96.3Very high89.6Confident0 Ų045.8 Ų45.80%026%0.255CS..EExtended strand (participates in β ladder)trans-122.6154.3177.367.2174.3000111.6S285 L300 L313 I317 A326 M330 I348 I349S285-I315 VanDerWaalsContact O-CA 3.25Å; S285-I315 WeakPolarHBondContact O-CA 3.32Å; L300-I315 HydrophobicContact CD1-CD1 4.42Å; L300-I315 HydrophobicContact CD2-CD1 3.66Å; L300-I315 HydrophobicContact CD2-CG2 3.78Å; L313-I315 HydrophobicContact CD1-CG2 4.27Å; L313-I315 HydrophobicContact CG-CG2 4.42Å; I315-I317 HydrophobicContact CD1-CG2 4.41Å; I315-A326 HydrophobicContact CD1-CB 3.85Å; I315-M330 HydrophobicContact CD1-SD 3.79Å; I315-M330 HydrophobicContact CG1-SD 4.08Å; I315-I348 CarbonylContact O-C 3.52Å; I315-I348 WeakPolarHBondContact O-CA 3.36Å; I315-I349 HydrophobicContact CD1-CB 4.34Å; I315-I349 HydrophobicContact CD1-CD1 4.35Å; I315-I349 HydrophobicContact CG1-CB 3.87Å; I315-I349 PolarHBondContact N-O 3.41Å; I315-I349 PolarHBondContact O-N 3.36Å
316V95.8Very high89.7Confident0 Ų041.3 Ų41.30%023%0.226CC..EExtended strand (participates in β ladder)trans-112.5130.8167.159.10000110.3G200 L204 S285 N286 P287 Y346 Y347 I348G200-V316 WeakPolarHBondContact O-CG2 3.45Å; L204-V316 HydrophobicContact CB-CB 4.03Å; L204-V316 HydrophobicContact CB-CG1 3.96Å; L204-V316 HydrophobicContact CD1-CB 3.94Å; L204-V316 HydrophobicContact CD1-CG1 3.72Å; L204-V316 HydrophobicContact CG-CG1 4.49Å; S285-V316 PolarHBondContact O-N 2.86Å; S285-V316 VanDerWaalsContact O-N 3.1Å; N286-V316 HydrophobicContact CB-CG1 3.61Å; P287-V316 WeakPolarHBondContact CD-O 3.47Å; V316-Y346 HydrophobicContact CG2-CD1 3.88Å; V316-Y346 HydrophobicContact CG2-CG 4.42Å; V316-Y347 WeakPolarHBondContact CA-O 3.34Å; V316-I348 HydrophobicContact CB-CD1 3.48Å; V316-I348 VanDerWaalsContact CB-CD1 3.48Å; V316-I348 HydrophobicContact CG2-CD1 3.51Å
317I93.4Very high89.7Confident4 Ų442.5 Ų42.52%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-149.4137.3179.6-176.2166.9000111.1I289 I315 Q321 A323 A326 Y347 I349I289-I317 HydrophobicContact CD1-CD1 3.56Å; I289-I317 HydrophobicContact CD1-CG1 3.89Å; I315-I317 HydrophobicContact CD1-CG2 4.41Å; I317-Q321 HydrophobicContact CG1-CB 4.35Å; I317-A323 HydrophobicContact CG1-CB 4.49Å; I317-A323 HydrophobicContact CG2-CB 3.6Å; I317-A326 HydrophobicContact CD1-CB 4.11Å; I317-A326 HydrophobicContact CG2-CB 4.47Å; I317-Y347 PolarHBondContact N-O 2.78Å; I317-Y347 PolarHBondContact O-N 2.78Å; I317-I349 HydrophobicContact CG2-CD1 3.65Å; I317-I349 HydrophobicContact CG2-CG1 4.39Å
318Q89.2Confident89.7Confident28 Ų2844.9 Ų44.913%0.13125%0.248CC..EExtended strand (participates in β ladder)trans-70.3138.8176.2-137.1176.132.300110.8K320 Q321 G322 G345 Y346Q318-K320 VanDerWaalsContact C-N 3.26Å; Q318-K320 HydrophobicContact CB-CG 4.5Å; Q318-K320 HydrophobicContact CG-CG 4.41Å; Q318-K320 PolarHBondContact O-N 2.62Å; Q318-K320 VanDerWaalsContact O-N 3.17Å; Q318-Q321 HydrophobicContact CB-CB 4.04Å; Q318-Q321 HydrophobicContact CB-CG 4.01Å; Q318-Q321 WeakPolarHBondContact O-CA 3.46Å; Q318-Q321 WeakPolarHBondContact O-CB 3.35Å; Q318-Q321 PolarHBondContact O-N 3.04Å; Q318-G322 PolarHBondContact O-N 2.84Å; Q318-G345 CarbonylContact C-O 3.59Å; Q318-G345 WeakPolarHBondContact CA-O 3.44Å; Q318-G345 WeakPolarHBondContact CG-O 3.37Å; Q318-Y346 HydrophobicContact CB-CD1 4.22Å; Q318-Y346 HydrophobicContact CB-CE1 4.21Å; Q318-Y346 HydrophobicContact CG-CD1 4.16Å; Q318-Y346 HydrophobicContact CG-CD2 4.12Å; Q318-Y346 HydrophobicContact CG-CE1 4.12Å; Q318-Y346 HydrophobicContact CG-CE2 4.05Å; Q318-Y346 HydrophobicContact CG-CG 4.18Å; Q318-Y346 VanDerWaalsContact NE2-CE2 3.29Å
319K87.4Confident89.8Confident123 Ų12343.2 Ų43.254%0.53524%0.241SC..G310 helixtrans-50.3-45.9-179.3-172.7-172.5-175.5178.20112.1Q321 G322 G345 Y347K319-Q321 VanDerWaalsContact C-N 3.26Å; K319-Q321 PolarHBondContact O-N 3.04Å; K319-G322 PolarHBondContact O-N 2.9Å; K319-G345 PolarHBondContact N-O 2.7Å; K319-Y347 HydrophobicContact CB-CE1 4.11Å; K319-Y347 HydrophobicContact CD-CE1 4.49Å; K319-Y347 WeakPolarHBondContact CD-OH 3.05Å; K319-Y347 HydrophobicContact CG-CE1 4.48Å; K319-Y347 HydrophobicContact CG-CE2 4.33Å
320K86.1Confident90.3Very high175 Ų17537 Ų3776%0.76121%0.207SC*.G310 helixtrans-69.1-19.3179.365.1178.8175.3176.40114.3Q318Q318-K320 VanDerWaalsContact C-N 3.26Å; Q318-K320 HydrophobicContact CB-CG 4.5Å; Q318-K320 HydrophobicContact CG-CG 4.41Å; Q318-K320 PolarHBondContact O-N 2.62Å; Q318-K320 VanDerWaalsContact O-N 3.17Å
321Q85Confident90.7Very high85 Ų8538 Ų3840%0.39720%0.2SC..G310 helixtrans-93.2-0.1-177.9-75.7-179.3-6.900113.6I289 I317 Q318 K319I289-Q321 HydrophobicContact CG1-CB 4.3Å; I289-Q321 HydrophobicContact CG2-CB 3.83Å; I289-Q321 HydrophobicContact CG2-CG 4.08Å; I317-Q321 HydrophobicContact CG1-CB 4.35Å; Q318-Q321 HydrophobicContact CB-CB 4.04Å; Q318-Q321 HydrophobicContact CB-CG 4.01Å; Q318-Q321 WeakPolarHBondContact O-CA 3.46Å; Q318-Q321 WeakPolarHBondContact O-CB 3.35Å; Q318-Q321 PolarHBondContact O-N 3.04Å; K319-Q321 VanDerWaalsContact C-N 3.26Å; K319-Q321 PolarHBondContact O-N 3.04Å
322G86.6Confident90.6Very high26 Ų2644.6 Ų44.627%0.26823%0.23SC..THydrogen-bonded Turntrans117.421.6172.300000115.5Q318 K319 P324 S325 A326Q318-G322 PolarHBondContact O-N 2.84Å; K319-G322 PolarHBondContact O-N 2.9Å; G322-P324 VanDerWaalsContact C-CD 3.44Å; G322-P324 VanDerWaalsContact C-N 3.31Å; G322-S325 WeakPolarHBondContact O-CA 3.5Å; G322-S325 WeakPolarHBondContact O-CB 3.46Å; G322-S325 PolarHBondContact O-N 3.15Å; G322-A326 PolarHBondContact O-N 3.27Å
323A90.1Very high90.3Very high2 Ų245.6 Ų45.62%0.01724%0.236CC..Hα-helixtrans-47.8-44.5175.900000114.1I317 S325 A326 K327 Y347 I349I317-A323 HydrophobicContact CG1-CB 4.49Å; I317-A323 HydrophobicContact CG2-CB 3.6Å; A323-S325 VanDerWaalsContact C-N 3.3Å; A323-S325 PolarHBondContact O-N 3.37Å; A323-A326 PolarHBondContact O-N 2.88Å; A323-K327 PolarHBondContact O-N 2.86Å; A323-Y347 HydrophobicContact CB-CD2 3.92Å; A323-Y347 HydrophobicContact CB-CG 4.22Å; A323-I349 HydrophobicContact CB-CD1 4.31Å
324P90.1Very high89.7Confident83 Ų8347.2 Ų47.254%0.53924%0.243SC..Hα-helixtrans-61.8-36.9176-23.335.2000113.2G322 S328G322-P324 VanDerWaalsContact C-CD 3.44Å; G322-P324 VanDerWaalsContact C-N 3.31Å; P324-S328 WeakPolarHBondContact O-CB 3.43Å; P324-S328 PolarHBondContact O-N 3.06Å
325S92Very high88.6Confident39 Ų3948 Ų4827%0.27325%0.251SS..Hα-helixtrans-73.7-30178.4-173.80000112.7K293 G322 A323 K329K293-S325 VanDerWaalsContact CE-OG 3.26Å; K293-S325 WeakPolarHBondContact CE-OG 3.45Å; K293-S325 PolarHBondContact NZ-OG 2.78Å; G322-S325 WeakPolarHBondContact O-CA 3.5Å; G322-S325 WeakPolarHBondContact O-CB 3.46Å; G322-S325 PolarHBondContact O-N 3.15Å; A323-S325 VanDerWaalsContact C-N 3.3Å; A323-S325 PolarHBondContact O-N 3.37Å; S325-K329 WeakPolarHBondContact O-CB 3.4Å; S325-K329 PolarHBondContact O-N 2.84Å
326A92.3Very high87.5Confident2 Ų248.9 Ų48.92%0.01726%0.256CS..Hα-helixtrans-73.1-46.1174.400000110.8L300 I315 I317 G322 A323 S328 K329 M330 I349L300-A326 HydrophobicContact CD1-CB 3.92Å; I315-A326 HydrophobicContact CD1-CB 3.85Å; I317-A326 HydrophobicContact CD1-CB 4.11Å; I317-A326 HydrophobicContact CG2-CB 4.47Å; G322-A326 PolarHBondContact O-N 3.27Å; A323-A326 PolarHBondContact O-N 2.88Å; A326-S328 PolarHBondContact O-N 2.97Å; A326-K329 PolarHBondContact O-N 2.81Å; A326-K329 VanDerWaalsContact O-N 3.08Å; A326-M330 PolarHBondContact O-N 3.17Å; A326-I349 HydrophobicContact CB-CD1 4.31Å
327K92.4Very high87Confident55 Ų5549.2 Ų49.224%0.23926%0.259CS..Hα-helixtrans-54.9-51.5174.4-170.3179.4-171.2-770111.7A323 K329 M330 E331 A337 I339 I349A323-K327 PolarHBondContact O-N 2.86Å; K327-K329 PolarHBondContact O-N 2.73Å; K327-M330 PolarHBondContact O-N 2.68Å; K327-M330 VanDerWaalsContact O-N 3.12Å; K327-E331 IonicContact NZ-OE1 3.2Å; K327-E331 PolarHBondContact NZ-OE1 3.5Å; K327-E331 WeakPolarHBondContact O-CG 3.29Å; K327-E331 PolarHBondContact O-N 3.39Å; K327-A337 WeakPolarHBondContact CE-O 3.45Å; K327-A337 HydrophobicContact CG-CB 3.79Å; K327-A337 PolarHBondContact NZ-O 2.82Å; K327-I339 HydrophobicContact CD-CD1 4.08Å; K327-I339 HydrophobicContact CD-CG1 4.1Å; K327-I349 HydrophobicContact CB-CD1 4.11Å; K327-I349 HydrophobicContact CB-CG2 4.44Å; K327-I349 HydrophobicContact CG-CG2 4.39Å
328S90.2Very high86.6Confident68 Ų6853.9 Ų53.948%0.47628%0.28SS..Hα-helixtrans-59.4-35.1178173.40000112.4P324 A326 E332P324-S328 WeakPolarHBondContact O-CB 3.43Å; P324-S328 PolarHBondContact O-N 3.06Å; A326-S328 PolarHBondContact O-N 2.97Å; S328-E332 WeakPolarHBondContact O-CB 3.43Å; S328-E332 PolarHBondContact O-N 3.2Å
329K91.7Very high86.6Confident31 Ų3155 Ų5514%0.13529%0.287CS..Hα-helixtrans-71.8-39.1176.5-173.558.8-176.31740112.2L300 S301 S325 A326 K327 E332 V333L300-K329 HydrophobicContact CB-CG 4.35Å; L300-K329 HydrophobicContact CD1-CB 4.16Å; L300-K329 HydrophobicContact CD1-CG 4.31Å; S301-K329 WeakPolarHBondContact OG-CE 3.41Å; S325-K329 WeakPolarHBondContact O-CB 3.4Å; S325-K329 PolarHBondContact O-N 2.84Å; A326-K329 PolarHBondContact O-N 2.81Å; A326-K329 VanDerWaalsContact O-N 3.08Å; K327-K329 PolarHBondContact O-N 2.73Å; K329-E332 WeakPolarHBondContact CD-OE2 3.38Å; K329-E332 IonicContact NZ-OE1 3.69Å; K329-E332 PolarHBondContact NZ-OE1 3.34Å; K329-E332 IonicContact NZ-OE2 3.24Å; K329-E332 PolarHBondContact NZ-OE2 3.17Å; K329-E332 VanDerWaalsContact NZ-OE2 3.17Å; K329-E332 WeakPolarHBondContact O-CB 3.47Å; K329-E332 PolarHBondContact O-N 2.97Å; K329-V333 HydrophobicContact CD-CG2 4.38Å; K329-V333 VanDerWaalsContact O-CG2 3.24Å; K329-V333 WeakPolarHBondContact O-CG2 3.31Å; K329-V333 PolarHBondContact O-N 3.47Å
330M91Very high86.5Confident0 Ų051.8 Ų51.80%028%0.277CS..Hα-helixtrans-65.5-40.4173.5-70.2175.871.800111.4L300 L313 I315 A326 K327 E332 V333 F334 A337 I349 M351L300-M330 HydrophobicContact CB-CG 4.4Å; L300-M330 HydrophobicContact CD1-CG 4.16Å; L300-M330 HydrophobicContact CD2-CG 4.07Å; L300-M330 HydrophobicContact CD2-SD 4.15Å; L300-M330 HydrophobicContact CG-CG 4.41Å; L313-M330 HydrophobicContact CB-CE 4.48Å; L313-M330 HydrophobicContact CD2-CE 4.12Å; L313-M330 HydrophobicContact CG-CE 4.19Å; I315-M330 HydrophobicContact CD1-SD 3.79Å; I315-M330 HydrophobicContact CG1-SD 4.08Å; A326-M330 PolarHBondContact O-N 3.17Å; K327-M330 PolarHBondContact O-N 2.68Å; K327-M330 VanDerWaalsContact O-N 3.12Å; M330-E332 VanDerWaalsContact C-N 3.31Å; M330-E332 PolarHBondContact O-N 3Å; M330-V333 PolarHBondContact O-N 3.44Å; M330-F334 HydrophobicContact CB-CD2 4.05Å; M330-F334 HydrophobicContact CB-CE2 4.47Å; M330-F334 HydrophobicContact CG-CD2 4.39Å; M330-F334 HydrophobicContact CG-CE2 4.33Å; M330-F334 WeakPolarHBondContact O-CB 2.78Å; M330-F334 VanDerWaalsContact O-CD2 3.29Å; M330-F334 WeakPolarHBondContact O-CD2 3.3Å; M330-F334 PolarHBondContact O-N 2.75Å; M330-A337 HydrophobicContact CB-CB 3.61Å; M330-I349 HydrophobicContact CE-CG2 4.14Å; M330-I349 HydrophobicContact SD-CB 4.17Å; M330-I349 HydrophobicContact SD-CG2 3.56Å; M330-I349 VanDerWaalsContact SD-CG2 3.56Å; M330-M351 HydrophobicContact CE-CB 4.17Å
331E87.3Confident86.6Confident68 Ų6844 Ų4432%0.31825%0.246SC..Hα-helixtrans-60.2-40.8173.2-71.3169158.600112.1K327 G335 A337K327-E331 IonicContact NZ-OE1 3.2Å; K327-E331 PolarHBondContact NZ-OE1 3.5Å; K327-E331 WeakPolarHBondContact O-CG 3.29Å; K327-E331 PolarHBondContact O-N 3.39Å; E331-G335 CarbonylContact O-C 3.5Å; E331-G335 WeakPolarHBondContact O-CA 3.37Å; E331-G335 PolarHBondContact O-N 3.17Å; E331-A337 HydrophobicContact CG-CB 3.76Å
332E86.1Confident86.8Confident140 Ų14045.2 Ų45.265%0.65425%0.25SC*.Hα-helixtrans-62.5-41.5175.5-174.7-160.3137.200112.5S328 K329 M330S328-E332 WeakPolarHBondContact O-CB 3.43Å; S328-E332 PolarHBondContact O-N 3.2Å; K329-E332 WeakPolarHBondContact CD-OE2 3.38Å; K329-E332 IonicContact NZ-OE1 3.69Å; K329-E332 PolarHBondContact NZ-OE1 3.34Å; K329-E332 IonicContact NZ-OE2 3.24Å; K329-E332 PolarHBondContact NZ-OE2 3.17Å; K329-E332 VanDerWaalsContact NZ-OE2 3.17Å; K329-E332 WeakPolarHBondContact O-CB 3.47Å; K329-E332 PolarHBondContact O-N 2.97Å; M330-E332 VanDerWaalsContact C-N 3.31Å; M330-E332 PolarHBondContact O-N 3Å
333V84.7Confident86.6Confident27 Ų2746 Ų4616%0.16425%0.248CC..Hα-helixtrans-82.1-48.4-173.9173.30000111.6E304 K329 M330E304-V333 HydrophobicContact CB-CG1 4.15Å; K329-V333 HydrophobicContact CD-CG2 4.38Å; K329-V333 VanDerWaalsContact O-CG2 3.24Å; K329-V333 WeakPolarHBondContact O-CG2 3.31Å; K329-V333 PolarHBondContact O-N 3.47Å; M330-V333 PolarHBondContact O-N 3.44Å
334F80.7Confident86.3Confident34 Ų3453.5 Ų53.515%0.14928%0.28CS..Hα-helixtrans-99.3-11.4-171.9-57.4-76.3000113.2L300 A303 E304 L307 L313 M330 N336 M351L300-F334 WeakPolarHBondContact O-CE2 3.48Å; L300-F334 WeakPolarHBondContact O-CZ 3.07Å; A303-F334 HydrophobicContact CB-CZ 4.21Å; E304-F334 HydrophobicContact CB-CD1 4.29Å; E304-F334 HydrophobicContact CB-CE1 3.68Å; E304-F334 HydrophobicContact CB-CZ 4.35Å; E304-F334 HydrophobicContact CG-CD1 4.21Å; E304-F334 HydrophobicContact CG-CE1 4.06Å; L307-F334 HydrophobicContact CD1-CE1 3.84Å; L307-F334 HydrophobicContact CD1-CZ 4.44Å; L313-F334 HydrophobicContact CB-CZ 4.35Å; L313-F334 HydrophobicContact CD2-CE2 3.67Å; L313-F334 HydrophobicContact CD2-CZ 3.72Å; M330-F334 HydrophobicContact CB-CD2 4.05Å; M330-F334 HydrophobicContact CB-CE2 4.47Å; M330-F334 HydrophobicContact CG-CD2 4.39Å; M330-F334 HydrophobicContact CG-CE2 4.33Å; M330-F334 WeakPolarHBondContact O-CB 2.78Å; M330-F334 VanDerWaalsContact O-CD2 3.29Å; M330-F334 WeakPolarHBondContact O-CD2 3.3Å; M330-F334 PolarHBondContact O-N 2.75Å; F334-N336 PolarHBondContact O-N 2.73Å; F334-N336 PolarHBondContact O-OD1 2.88Å; F334-M351 HydrophobicContact CB-CB 4.21Å; F334-M351 HydrophobicContact CD1-CB 4.47Å; F334-M351 HydrophobicContact CD1-SD 3.38Å; F334-M351 WeakPolarHBondContact CD1-SD 3.34Å; F334-M351 HydrophobicContact CD2-CB 4.23Å; F334-M351 HydrophobicContact CD2-SD 4.44Å; F334-M351 HydrophobicContact CE1-SD 3.47Å; F334-M351 WeakPolarHBondContact CE1-SD 3.2Å; F334-M351 HydrophobicContact CG-CB 4.05Å; F334-M351 HydrophobicContact CG-SD 3.91Å; F334-M351 HydrophobicContact CZ-SD 4.1Å
335G71.5Confident86Confident18 Ų1851.1 Ų51.119%0.18627%0.271CS..SBendtrans79.6-6.8-170.100000113.3E331 Q384E331-G335 CarbonylContact O-C 3.5Å; E331-G335 WeakPolarHBondContact O-CA 3.37Å; E331-G335 PolarHBondContact O-N 3.17Å; G335-Q384 VanDerWaalsContact CA-O 3.3Å; G335-Q384 WeakPolarHBondContact CA-O 3.5Å
336N73.7Confident86Confident18 Ų1850.9 Ų50.910%0.09626%0.264CS..  trans-155.1151.2179.566.2-22.7000114.1F334 G352 M356F334-N336 PolarHBondContact O-N 2.73Å; F334-N336 PolarHBondContact O-OD1 2.88Å; N336-G352 VanDerWaalsContact ND2-CA 3.31Å; N336-G352 WeakPolarHBondContact ND2-CA 3.38Å; N336-G352 PolarHBondContact ND2-N 3.1Å; N336-G352 VanDerWaalsContact ND2-N 3.16Å; N336-G352 PolarHBondContact ND2-O 3.14Å; N336-M356 HydrophobicContact CB-CE 3.42Å; N336-M356 VanDerWaalsContact CB-CE 3.42Å; N336-M356 HydrophobicContact CB-SD 3.39Å; N336-M356 WeakPolarHBondContact CB-SD 3.26Å
337A85.2Confident86Confident7 Ų752.6 Ų52.66%0.05827%0.271CS..  trans-154.5123.1167.900000110.1K327 M330 E331 I349K327-A337 WeakPolarHBondContact CE-O 3.45Å; K327-A337 HydrophobicContact CG-CB 3.79Å; K327-A337 PolarHBondContact NZ-O 2.82Å; M330-A337 HydrophobicContact CB-CB 3.61Å; E331-A337 HydrophobicContact CG-CB 3.76Å; A337-I349 HydrophobicContact CB-CG2 3.97Å
338E85.7Confident86.1Confident102 Ų10250 Ų5048%0.47726%0.259SS..EExtended strand (participates in β ladder)trans-104.2142.6179.7-177.9174.8-174.100110.4I349 R350E338-I349 CarbonylContact O-C 3.59Å; E338-I349 VanDerWaalsContact O-CA 3.25Å; E338-I349 WeakPolarHBondContact O-CA 3.43Å; E338-R350 PolarHBondContact N-O 2.91Å; E338-R350 PolarHBondContact O-N 2.88Å
339I89.9Confident86.2Confident52 Ų5246.8 Ų46.827%0.26724%0.237SC..EExtended strand (participates in β ladder)trans-91.7101.3167.6-60.2168.3000106.9K327 A341 K342 Y347 I348 I349K327-I339 HydrophobicContact CD-CD1 4.08Å; K327-I339 HydrophobicContact CD-CG1 4.1Å; I339-A341 WeakPolarHBondContact CG2-O 3.24Å; I339-K342 HydrophobicContact CG2-CD 4.32Å; I339-K342 HydrophobicContact CG2-CG 3.65Å; I339-Y347 HydrophobicContact CD1-CD2 3.78Å; I339-Y347 HydrophobicContact CD1-CE2 4.03Å; I339-Y347 HydrophobicContact CG1-CD2 4.41Å; I339-Y347 HydrophobicContact CG2-CD2 4.35Å; I339-Y347 HydrophobicContact CG2-CG 4.36Å; I339-I348 CarbonylContact C-O 3.51Å; I339-I348 VanDerWaalsContact CA-O 3.28Å; I339-I348 WeakPolarHBondContact CA-O 3.48Å; I339-I349 HydrophobicContact CG1-CG1 4.44Å
340V85.3Confident86.2Confident56 Ų5646.6 Ų46.634%0.33924%0.235SC..EExtended strand (participates in β ladder)trans-73.9-33.2-174.8-157.60000111.4I348 R350V340-I348 HydrophobicContact CB-CB 4.43Å; V340-I348 HydrophobicContact CB-CG2 4.15Å; V340-I348 HydrophobicContact CG2-CG2 4.16Å; V340-I348 PolarHBondContact N-O 3.09Å; V340-R350 HydrophobicContact CG2-CB 3.29Å; V340-R350 HydrophobicContact CG2-CG 4.38Å
341A86.6Confident85.9Confident12 Ų1247.7 Ų47.710%0.09924%0.241CC..EExtended strand (participates in β ladder)trans-153.3155.5179.600000111.6H207 I339 I348H207-A341 HydrophobicContact CB-CB 4.03Å; H207-A341 WeakPolarHBondContact CD2-CB 3.09Å; I339-A341 WeakPolarHBondContact CG2-O 3.24Å; A341-I348 HydrophobicContact CB-CB 4.14Å; A341-I348 HydrophobicContact CB-CG1 3.97Å; A341-I348 PolarHBondContact O-N 2.63Å
342K90.8Very high84.5Confident109 Ų10945.1 Ų45.147%0.47423%0.233SC..EExtended strand (participates in β ladder)trans-134.7123.1172.1-60.5174.8-168.3150.30108.7I339 Y346 Y347I339-K342 HydrophobicContact CG2-CD 4.32Å; I339-K342 HydrophobicContact CG2-CG 3.65Å; K342-Y346 WeakPolarHBondContact CA-O 3.19Å; K342-Y347 HydrophobicContact CB-CD1 4.16Å; K342-Y347 HydrophobicContact CB-CE1 4.18Å; K342-Y347 HydrophobicContact CD-CD1 4.37Å; K342-Y347 HydrophobicContact CD-CE1 3.92Å; K342-Y347 HydrophobicContact CG-CD1 3.77Å; K342-Y347 HydrophobicContact CG-CE1 3.81Å; K342-Y347 HydrophobicContact CG-CG 4.23Å
343D81.9Confident82.7Confident44 Ų4439.8 Ų39.824%0.23522%0.215CC..EExtended strand (participates in β ladder)trans-144.3127.1177.6-175.416.6000111.7Y199 V203 G345 Y346Y199-D343 PolarHBondContact OH-OD1 3.02Å; Y199-D343 VanDerWaalsContact OH-OD1 3.13Å; Y199-D343 PolarHBondContact OH-OD2 2.97Å; V203-D343 HydrophobicContact CG1-CB 3.98Å; V203-D343 HydrophobicContact CG2-CB 4.08Å; D343-G345 PolarHBondContact O-N 3.31Å; D343-Y346 PolarHBondContact N-O 3.01Å; D343-Y346 WeakPolarHBondContact O-CA 3.48Å; D343-Y346 WeakPolarHBondContact O-CB 3.35Å; D343-Y346 PolarHBondContact O-N 3.44Å
344K83.7Confident81Confident158 Ų15840.4 Ų40.469%0.68723%0.227SC*.THydrogen-bonded Turntrans4040.5-176-63.6-175.7-159.61650114.5Y199Y199-K344 HydrophobicContact CE1-CB 3.86Å; Y199-K344 HydrophobicContact CE1-CD 4.34Å; Y199-K344 HydrophobicContact CE1-CG 4.38Å; Y199-K344 HydrophobicContact CE2-CD 3.91Å; Y199-K344 WeakPolarHBondContact OH-CD 3.41Å; Y199-K344 WeakPolarHBondContact OH-CE 3.24Å; Y199-K344 WeakPolarHBondContact OH-CG 3.5Å; Y199-K344 PolarHBondContact OH-NZ 2.99Å
345G84.2Confident79.4Confident34 Ų3443.9 Ų43.935%0.35125%0.247SC..THydrogen-bonded Turntrans84.7-1.9179.300000115.6Q318 K319 D343Q318-G345 CarbonylContact C-O 3.59Å; Q318-G345 WeakPolarHBondContact CA-O 3.44Å; Q318-G345 WeakPolarHBondContact CG-O 3.37Å; K319-G345 PolarHBondContact N-O 2.7Å; D343-G345 PolarHBondContact O-N 3.31Å
346Y90.5Very high78.5Confident33 Ų3346.4 Ų46.413%0.12926%0.255CS..EExtended strand (participates in β ladder)trans-86.3131.8168.3-70.1-94.9000110.6Y199 V316 Q318 K342 D343Y199-Y346 AromaticContact CD1-CD2 3.5Å; Y199-Y346 HydrophobicContact CD1-CD2 3.5Å; Y199-Y346 VanDerWaalsContact CD1-CD2 3.5Å; Y199-Y346 AromaticContact CD1-CE2 3.57Å; Y199-Y346 HydrophobicContact CD1-CE2 3.57Å; Y199-Y346 HydrophobicContact CD1-CG 4.3Å; Y199-Y346 AromaticContact CE1-CD2 3.98Å; Y199-Y346 HydrophobicContact CE1-CD2 3.98Å; Y199-Y346 HydrophobicContact CE1-CE2 4.4Å; Y199-Y346 HydrophobicContact CG-CE2 4.26Å; V316-Y346 HydrophobicContact CG2-CD1 3.88Å; V316-Y346 HydrophobicContact CG2-CG 4.42Å; Q318-Y346 HydrophobicContact CB-CD1 4.22Å; Q318-Y346 HydrophobicContact CB-CE1 4.21Å; Q318-Y346 HydrophobicContact CG-CD1 4.16Å; Q318-Y346 HydrophobicContact CG-CD2 4.12Å; Q318-Y346 HydrophobicContact CG-CE1 4.12Å; Q318-Y346 HydrophobicContact CG-CE2 4.05Å; Q318-Y346 HydrophobicContact CG-CG 4.18Å; Q318-Y346 VanDerWaalsContact NE2-CE2 3.29Å; K342-Y346 WeakPolarHBondContact CA-O 3.19Å; D343-Y346 PolarHBondContact N-O 3.01Å; D343-Y346 WeakPolarHBondContact O-CA 3.48Å; D343-Y346 WeakPolarHBondContact O-CB 3.35Å; D343-Y346 PolarHBondContact O-N 3.44Å
347Y93.4Very high77.8Confident38 Ų3849.2 Ų49.215%0.14927%0.267CS..EExtended strand (participates in β ladder)trans-111.4126.8179.6-71.514.6000108.2V316 I317 K319 A323 I339 K342V316-Y347 WeakPolarHBondContact CA-O 3.34Å; I317-Y347 PolarHBondContact N-O 2.78Å; I317-Y347 PolarHBondContact O-N 2.78Å; K319-Y347 HydrophobicContact CB-CE1 4.11Å; K319-Y347 HydrophobicContact CD-CE1 4.49Å; K319-Y347 WeakPolarHBondContact CD-OH 3.05Å; K319-Y347 HydrophobicContact CG-CE1 4.48Å; K319-Y347 HydrophobicContact CG-CE2 4.33Å; A323-Y347 HydrophobicContact CB-CD2 3.92Å; A323-Y347 HydrophobicContact CB-CG 4.22Å; I339-Y347 HydrophobicContact CD1-CD2 3.78Å; I339-Y347 HydrophobicContact CD1-CE2 4.03Å; I339-Y347 HydrophobicContact CG1-CD2 4.41Å; I339-Y347 HydrophobicContact CG2-CD2 4.35Å; I339-Y347 HydrophobicContact CG2-CG 4.36Å; K342-Y347 HydrophobicContact CB-CD1 4.16Å; K342-Y347 HydrophobicContact CB-CE1 4.18Å; K342-Y347 HydrophobicContact CD-CD1 4.37Å; K342-Y347 HydrophobicContact CD-CE1 3.92Å; K342-Y347 HydrophobicContact CG-CD1 3.77Å; K342-Y347 HydrophobicContact CG-CE1 3.81Å; K342-Y347 HydrophobicContact CG-CG 4.23Å
348I93.4Very high76.7Confident1 Ų153.1 Ų53.11%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-87113.7168.1-55.7-54.7000107.4V203 L204 H207 T314 I315 V316 I339 V340 A341V203-I348 HydrophobicContact CG1-CD1 3.92Å; V203-I348 HydrophobicContact CG1-CG1 3.97Å; L204-I348 HydrophobicContact CB-CD1 3.99Å; L204-I348 HydrophobicContact CG-CD1 4.49Å; H207-I348 HydrophobicContact CB-CG1 4.3Å; T314-I348 HydrophobicContact CG2-CG2 3.6Å; I315-I348 CarbonylContact O-C 3.52Å; I315-I348 WeakPolarHBondContact O-CA 3.36Å; V316-I348 HydrophobicContact CB-CD1 3.48Å; V316-I348 VanDerWaalsContact CB-CD1 3.48Å; V316-I348 HydrophobicContact CG2-CD1 3.51Å; I339-I348 CarbonylContact C-O 3.51Å; I339-I348 VanDerWaalsContact CA-O 3.28Å; I339-I348 WeakPolarHBondContact CA-O 3.48Å; V340-I348 HydrophobicContact CB-CB 4.43Å; V340-I348 HydrophobicContact CB-CG2 4.15Å; V340-I348 HydrophobicContact CG2-CG2 4.16Å; V340-I348 PolarHBondContact N-O 3.09Å; A341-I348 HydrophobicContact CB-CB 4.14Å; A341-I348 HydrophobicContact CB-CG1 3.97Å; A341-I348 PolarHBondContact O-N 2.63Å
349I93.1Very high75.5Confident1 Ų152.7 Ų52.71%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-110.5119.8-179.7-50.5171.7000107.8T314 I315 I317 A323 A326 K327 M330 A337 E338 I339T314-I349 CarbonylContact C-O 3.54Å; T314-I349 WeakPolarHBondContact CA-O 3.37Å; I315-I349 HydrophobicContact CD1-CB 4.34Å; I315-I349 HydrophobicContact CD1-CD1 4.35Å; I315-I349 HydrophobicContact CG1-CB 3.87Å; I315-I349 PolarHBondContact N-O 3.41Å; I315-I349 PolarHBondContact O-N 3.36Å; I317-I349 HydrophobicContact CG2-CD1 3.65Å; I317-I349 HydrophobicContact CG2-CG1 4.39Å; A323-I349 HydrophobicContact CB-CD1 4.31Å; A326-I349 HydrophobicContact CB-CD1 4.31Å; K327-I349 HydrophobicContact CB-CD1 4.11Å; K327-I349 HydrophobicContact CB-CG2 4.44Å; K327-I349 HydrophobicContact CG-CG2 4.39Å; M330-I349 HydrophobicContact CE-CG2 4.14Å; M330-I349 HydrophobicContact SD-CB 4.17Å; M330-I349 HydrophobicContact SD-CG2 3.56Å; M330-I349 VanDerWaalsContact SD-CG2 3.56Å; A337-I349 HydrophobicContact CB-CG2 3.97Å; E338-I349 CarbonylContact O-C 3.59Å; E338-I349 VanDerWaalsContact O-CA 3.25Å; E338-I349 WeakPolarHBondContact O-CA 3.43Å; I339-I349 HydrophobicContact CG1-CG1 4.44Å
350R90.9Very high74.9Confident26 Ų2651.6 Ų51.610%0.09828%0.283CS..EExtended strand (participates in β ladder)trans-117.8142.6178.3-178.1-178-71.5171.85.2109.4D209 L313 T314 E338 V340 G352D209-R350 VanDerWaalsContact N-NH2 3.18Å; L313-R350 CarbonylContact O-C 3.59Å; L313-R350 VanDerWaalsContact O-CA 3.31Å; L313-R350 WeakPolarHBondContact O-CA 3.42Å; T314-R350 HydrophobicContact CG2-CB 4.32Å; T314-R350 WeakPolarHBondContact OG1-CG 3.16Å; T314-R350 PolarHBondContact OG1-NE 2.84Å; T314-R350 VanDerWaalsContact OG1-NE 3.13Å; E338-R350 PolarHBondContact N-O 2.91Å; E338-R350 PolarHBondContact O-N 2.88Å; V340-R350 HydrophobicContact CG2-CB 3.29Å; V340-R350 HydrophobicContact CG2-CG 4.38Å; R350-G352 PolarHBondContact O-N 3.24Å
351M85Confident74.7Confident23 Ų2350.3 Ų50.311%0.11327%0.274CS..PPolyproline II helixtrans-69.2118.716379.2-174.7-154.800107.9L307 G311 L313 M330 F334 G353L307-M351 HydrophobicContact CB-CE 4.36Å; L307-M351 HydrophobicContact CD1-CE 3.33Å; L307-M351 HydrophobicContact CD1-SD 3.51Å; L307-M351 VanDerWaalsContact CD1-SD 3.51Å; L307-M351 HydrophobicContact CD2-CE 4.32Å; L307-M351 HydrophobicContact CG-CE 4.19Å; G311-M351 WeakPolarHBondContact O-CE 3.12Å; L313-M351 HydrophobicContact CB-CG 4.33Å; L313-M351 HydrophobicContact CB-SD 3.91Å; L313-M351 PolarHBondContact N-SD 2.87Å; L313-M351 VanDerWaalsContact N-SD 3.43Å; L313-M351 PolarHBondContact O-N 3.43Å; M330-M351 HydrophobicContact CE-CB 4.17Å; F334-M351 HydrophobicContact CB-CB 4.21Å; F334-M351 HydrophobicContact CD1-CB 4.47Å; F334-M351 HydrophobicContact CD1-SD 3.38Å; F334-M351 WeakPolarHBondContact CD1-SD 3.34Å; F334-M351 HydrophobicContact CD2-CB 4.23Å; F334-M351 HydrophobicContact CD2-SD 4.44Å; F334-M351 HydrophobicContact CE1-SD 3.47Å; F334-M351 WeakPolarHBondContact CE1-SD 3.2Å; F334-M351 HydrophobicContact CG-CB 4.05Å; F334-M351 HydrophobicContact CG-SD 3.91Å; F334-M351 HydrophobicContact CZ-SD 4.1Å; M351-G353 PolarHBondContact O-N 2.78Å; M351-G353 VanDerWaalsContact O-N 3.16Å
352G57.5Low74.2Confident15 Ų1554.8 Ų54.816%0.15530%0.296CS..PPolyproline II helixtrans-62.2119.2-171.500000111.9N336 R350N336-G352 VanDerWaalsContact ND2-CA 3.31Å; N336-G352 WeakPolarHBondContact ND2-CA 3.38Å; N336-G352 PolarHBondContact ND2-N 3.1Å; N336-G352 VanDerWaalsContact ND2-N 3.16Å; N336-G352 PolarHBondContact ND2-O 3.14Å; R350-G352 PolarHBondContact O-N 3.24Å
353G49.9Very low73.6Confident28 Ų2853.8 Ų53.829%0.28929%0.293SS..PPolyproline II helixtrans-75.5171.4166.500000111.5M351 D355M351-G353 PolarHBondContact O-N 2.78Å; M351-G353 VanDerWaalsContact O-N 3.16Å; G353-D355 PolarHBondContact O-N 3.23Å
354G48.1Very low73.7Confident39 Ų3951.7 Ų51.740%0.40228%0.281SS..THydrogen-bonded Turntrans41.4-77.1165.200000119.1M356 Q357 V358G354-M356 VanDerWaalsContact C-N 3.34Å; G354-M356 PolarHBondContact O-N 3.34Å; G354-Q357 WeakPolarHBondContact O-CA 3.4Å; G354-Q357 WeakPolarHBondContact O-CB 3.35Å; G354-Q357 PolarHBondContact O-N 3.36Å; G354-V358 PolarHBondContact O-N 3.14Å
355D47.9Very low73.6Confident108 Ų10844.9 Ų44.958%0.57825%0.253SS*.Hα-helixtrans-58-38.3-168.5-75.3-20.6000114.6G353 Q357 V358 I359G353-D355 PolarHBondContact O-N 3.23Å; D355-Q357 VanDerWaalsContact C-N 3.29Å; D355-Q357 PolarHBondContact O-N 2.93Å; D355-V358 PolarHBondContact O-N 3.28Å; D355-V358 VanDerWaalsContact O-N 3.17Å; D355-I359 WeakPolarHBondContact O-CG1 3.45Å; D355-I359 PolarHBondContact O-N 3.03Å
356M51.1Low73.3Confident70 Ų7048 Ų4835%0.34526%0.261SS..Hα-helixtrans-72.9-27177.2-142.7-172.4-6600112.1N336 G354 R360N336-M356 HydrophobicContact CB-CE 3.42Å; N336-M356 VanDerWaalsContact CB-CE 3.42Å; N336-M356 HydrophobicContact CB-SD 3.39Å; N336-M356 WeakPolarHBondContact CB-SD 3.26Å; G354-M356 VanDerWaalsContact C-N 3.34Å; G354-M356 PolarHBondContact O-N 3.34Å; M356-R360 WeakPolarHBondContact O-CB 3.29Å; M356-R360 PolarHBondContact O-N 3.45Å
357Q59.1Low72.9Confident77 Ų7747 Ų4736%0.3626%0.258SS..Hα-helixtrans-65.3-49.2166.7-175.4-177.81.100109.2G354 D355 I359 R360 L361G354-Q357 WeakPolarHBondContact O-CA 3.4Å; G354-Q357 WeakPolarHBondContact O-CB 3.35Å; G354-Q357 PolarHBondContact O-N 3.36Å; D355-Q357 VanDerWaalsContact C-N 3.29Å; D355-Q357 PolarHBondContact O-N 2.93Å; Q357-I359 PolarHBondContact O-N 2.95Å; Q357-R360 CarbonylContact O-C 3.58Å; Q357-R360 WeakPolarHBondContact O-CA 3.33Å; Q357-R360 WeakPolarHBondContact O-CB 3.32Å; Q357-R360 PolarHBondContact O-N 2.85Å; Q357-L361 HydrophobicContact CG-CD1 4.09Å; Q357-L361 HydrophobicContact CG-CG 4.14Å; Q357-L361 WeakPolarHBondContact O-CG 3.3Å; Q357-L361 PolarHBondContact O-N 3.23Å
358V62.1Low72.6Confident89 Ų8945.3 Ų45.354%0.53925%0.251SS..Hα-helixtrans-56.1-47.4178.6179.10000112.1G354 D355 R360 L361 L362G354-V358 PolarHBondContact O-N 3.14Å; D355-V358 PolarHBondContact O-N 3.28Å; D355-V358 VanDerWaalsContact O-N 3.17Å; V358-R360 VanDerWaalsContact C-N 3.32Å; V358-R360 PolarHBondContact O-N 2.85Å; V358-L361 PolarHBondContact O-N 3.04Å; V358-L362 PolarHBondContact O-N 2.97Å
359I62.2Low71.8Confident93 Ų9348.3 Ų48.348%0.47727%0.267SS..Hα-helixtrans-60.2-43175.6-67.4170.7000110.7D355 Q357 L362 Q363D355-I359 WeakPolarHBondContact O-CG1 3.45Å; D355-I359 PolarHBondContact O-N 3.03Å; Q357-I359 PolarHBondContact O-N 2.95Å; I359-L362 PolarHBondContact O-N 3.44Å; I359-Q363 HydrophobicContact CG2-CG 4.27Å; I359-Q363 WeakPolarHBondContact O-CB 3.37Å; I359-Q363 VanDerWaalsContact O-CG 3.3Å; I359-Q363 WeakPolarHBondContact O-CG 3.34Å; I359-Q363 PolarHBondContact O-N 2.99Å
360R76.4Confident70.9Confident30 Ų3052.5 Ų52.511%0.11330%0.297CS..Hα-helixtrans-67.3-36.2178.3-170.1168.864.5-112.2-6.6112.3M356 Q357 V358 T364 F383 D393M356-R360 WeakPolarHBondContact O-CB 3.29Å; M356-R360 PolarHBondContact O-N 3.45Å; Q357-R360 CarbonylContact O-C 3.58Å; Q357-R360 WeakPolarHBondContact O-CA 3.33Å; Q357-R360 WeakPolarHBondContact O-CB 3.32Å; Q357-R360 PolarHBondContact O-N 2.85Å; V358-R360 VanDerWaalsContact C-N 3.32Å; V358-R360 PolarHBondContact O-N 2.85Å; R360-T364 WeakPolarHBondContact O-CB 3.26Å; R360-T364 PolarHBondContact O-N 2.95Å; R360-T364 PolarHBondContact O-OG1 3.01Å; R360-F383 HydrophobicContact CG-CB 4.26Å; R360-F383 HydrophobicContact CG-CD1 4.27Å; R360-F383 HydrophobicContact CG-CD2 3.58Å; R360-F383 HydrophobicContact CG-CE2 3.87Å; R360-F383 HydrophobicContact CG-CG 3.8Å; R360-F383 HydrophobicContact CG-CZ 4.33Å; R360-D393 WeakPolarHBondContact CD-OD2 3.35Å; R360-D393 IonicContact CZ-OD1 3.61Å; R360-D393 IonicContact CZ-OD2 2.63Å; R360-D393 VanDerWaalsContact NE-CG 3.34Å; R360-D393 IonicContact NE-OD1 2.74Å; R360-D393 PolarHBondContact NE-OD1 3.33Å; R360-D393 IonicContact NE-OD2 3.03Å; R360-D393 PolarHBondContact NE-OD2 2.66Å; R360-D393 IonicContact NH2-OD1 3.44Å; R360-D393 PolarHBondContact NH2-OD1 3.04Å; R360-D393 IonicContact NH2-OD2 3.74Å
361L81.4Confident70.3Confident29 Ų2958.8 Ų58.815%0.15232%0.32CS..Hα-helixtrans-63.7-45.5173.1-64174.7000110.2Q357 V358 T364 T365 D393 A396 L397Q357-L361 HydrophobicContact CG-CD1 4.09Å; Q357-L361 HydrophobicContact CG-CG 4.14Å; Q357-L361 WeakPolarHBondContact O-CG 3.3Å; Q357-L361 PolarHBondContact O-N 3.23Å; V358-L361 PolarHBondContact O-N 3.04Å; L361-T364 PolarHBondContact O-N 2.85Å; L361-T365 WeakPolarHBondContact O-CB 3.33Å; L361-T365 PolarHBondContact O-N 3.2Å; L361-T365 PolarHBondContact O-OG1 3.08Å; L361-D393 HydrophobicContact CD2-CB 3.64Å; L361-D393 WeakPolarHBondContact CD2-O 3.22Å; L361-A396 HydrophobicContact CD1-CB 4.25Å; L361-A396 HydrophobicContact CD2-CB 3.94Å; L361-L397 HydrophobicContact CB-CD2 3.85Å; L361-L397 HydrophobicContact CB-CG 4.14Å; L361-L397 HydrophobicContact CD2-CD1 4.35Å; L361-L397 HydrophobicContact CD2-CD2 4.32Å; L361-L397 HydrophobicContact CD2-CG 3.7Å; L361-L397 HydrophobicContact CG-CG 4.43Å
362L75.8Confident69.8Low106 Ų10664 Ų6456%0.55534%0.342SS*.Hα-helixtrans-62.1-49.7175.8-18064.5000111.5V358 I359 T364 T365 L366V358-L362 PolarHBondContact O-N 2.97Å; I359-L362 PolarHBondContact O-N 3.44Å; L362-T364 PolarHBondContact O-N 3.15Å; L362-T365 WeakPolarHBondContact O-CB 3.48Å; L362-T365 PolarHBondContact O-N 2.98Å; L362-L366 HydrophobicContact CG-CD1 4.23Å; L362-L366 WeakPolarHBondContact O-CG 3.46Å; L362-L366 PolarHBondContact O-N 3.42Å
363Q78Confident71.2Confident87 Ų8767.5 Ų67.541%0.40736%0.355SS..Hα-helixtrans-61.9-41.8178-73.8179.2-11.100111.9I359 T365 L366 I367 F383I359-Q363 HydrophobicContact CG2-CG 4.27Å; I359-Q363 WeakPolarHBondContact O-CB 3.37Å; I359-Q363 VanDerWaalsContact O-CG 3.3Å; I359-Q363 WeakPolarHBondContact O-CG 3.34Å; I359-Q363 PolarHBondContact O-N 2.99Å; Q363-T365 VanDerWaalsContact C-N 3.33Å; Q363-T365 PolarHBondContact O-N 3.32Å; Q363-L366 PolarHBondContact O-N 2.57Å; Q363-I367 WeakPolarHBondContact O-CB 3.34Å; Q363-I367 WeakPolarHBondContact O-CD1 3.28Å; Q363-I367 WeakPolarHBondContact O-CG1 3.49Å; Q363-I367 PolarHBondContact O-N 3Å; Q363-F383 HydrophobicContact CB-CE1 3.76Å; Q363-F383 HydrophobicContact CB-CZ 3.89Å
364T84.5Confident73.2Confident0 Ų066.5 Ų66.50%034%0.343CS..Hα-helixtrans-58.2-47.3173.7-61.90000110.1R360 L361 L362 L366 I367 L368 L379 F383 L397R360-T364 WeakPolarHBondContact O-CB 3.26Å; R360-T364 PolarHBondContact O-N 2.95Å; R360-T364 PolarHBondContact O-OG1 3.01Å; L361-T364 PolarHBondContact O-N 2.85Å; L362-T364 PolarHBondContact O-N 3.15Å; T364-L366 PolarHBondContact O-N 3.13Å; T364-I367 PolarHBondContact O-N 3.28Å; T364-L368 HydrophobicContact CG2-CD1 3.95Å; T364-L368 HydrophobicContact CG2-CG 4.39Å; T364-L368 VanDerWaalsContact O-CG 3.24Å; T364-L368 WeakPolarHBondContact O-CG 3.31Å; T364-L368 PolarHBondContact O-N 2.84Å; T364-L379 HydrophobicContact CG2-CD1 4.12Å; T364-F383 WeakPolarHBondContact OG1-CE2 3.41Å; T364-L397 HydrophobicContact CG2-CD1 3.81Å
365T81.8Confident75.3Confident15 Ų1567.1 Ų67.19%0.09234%0.339CS..Hα-helixtrans-59.8-47.7177.4-54.90000112L361 L362 Q363 I367 L368 L369 L397 V402L361-T365 WeakPolarHBondContact O-CB 3.33Å; L361-T365 PolarHBondContact O-N 3.2Å; L361-T365 PolarHBondContact O-OG1 3.08Å; L362-T365 WeakPolarHBondContact O-CB 3.48Å; L362-T365 PolarHBondContact O-N 2.98Å; Q363-T365 VanDerWaalsContact C-N 3.33Å; Q363-T365 PolarHBondContact O-N 3.32Å; T365-I367 VanDerWaalsContact C-N 3.35Å; T365-I367 PolarHBondContact O-N 3.06Å; T365-L368 PolarHBondContact O-N 3.36Å; T365-L369 HydrophobicContact CG2-CD1 4.19Å; T365-L369 WeakPolarHBondContact O-CB 3.44Å; T365-L369 WeakPolarHBondContact O-CG 3.07Å; T365-L369 PolarHBondContact O-N 3.36Å; T365-L397 VanDerWaalsContact OG1-CD2 3.24Å; T365-L397 WeakPolarHBondContact OG1-CD2 3.24Å; T365-V402 HydrophobicContact CG2-CG1 4.24Å
366L78Confident77.3Confident101 Ų10162.2 Ų62.253%0.52931%0.314SS..Hα-helixtrans-62.1-39.2177.2-69.2173.2000112.8L362 Q363 T364 L369 S370L362-L366 HydrophobicContact CG-CD1 4.23Å; L362-L366 WeakPolarHBondContact O-CG 3.46Å; L362-L366 PolarHBondContact O-N 3.42Å; Q363-L366 PolarHBondContact O-N 2.57Å; T364-L366 PolarHBondContact O-N 3.13Å; L366-L369 HydrophobicContact CD2-CD1 4.44Å; L366-S370 PolarHBondContact O-N 3.36Å; L366-S370 PolarHBondContact O-OG 3.07Å
367I82Confident79.2Confident11 Ų1165.2 Ų65.26%0.05633%0.325CS..Hα-helixtrans-64.5-45.1175.7-71.6166.1000110.4Q363 T364 T365 S370 R371 V374 L379 F383Q363-I367 WeakPolarHBondContact O-CB 3.34Å; Q363-I367 WeakPolarHBondContact O-CD1 3.28Å; Q363-I367 WeakPolarHBondContact O-CG1 3.49Å; Q363-I367 PolarHBondContact O-N 3Å; T364-I367 PolarHBondContact O-N 3.28Å; T365-I367 VanDerWaalsContact C-N 3.35Å; T365-I367 PolarHBondContact O-N 3.06Å; I367-S370 PolarHBondContact O-N 2.92Å; I367-S370 PolarHBondContact O-OG 3.19Å; I367-R371 PolarHBondContact O-N 3.03Å; I367-V374 HydrophobicContact CG2-CB 4.48Å; I367-V374 HydrophobicContact CG2-CG2 3.68Å; I367-L379 HydrophobicContact CD1-CD2 4.08Å; I367-L379 HydrophobicContact CG2-CD2 4.16Å; I367-F383 HydrophobicContact CD1-CE1 4.12Å; I367-F383 HydrophobicContact CD1-CZ 3.67Å
368L85.5Confident80.7Confident2 Ų266.2 Ų66.21%0.0133%0.33CS..Hα-helixtrans-68.1-37.4-179.6-64.5174000112.3T364 T365 S370 K372 V374 V404 V414 L416T364-L368 HydrophobicContact CG2-CD1 3.95Å; T364-L368 HydrophobicContact CG2-CG 4.39Å; T364-L368 VanDerWaalsContact O-CG 3.24Å; T364-L368 WeakPolarHBondContact O-CG 3.31Å; T364-L368 PolarHBondContact O-N 2.84Å; T365-L368 PolarHBondContact O-N 3.36Å; L368-S370 PolarHBondContact O-N 2.99Å; L368-K372 WeakPolarHBondContact O-CA 3.4Å; L368-K372 PolarHBondContact O-N 2.78Å; L368-V374 HydrophobicContact CD2-CB 4.43Å; L368-V374 HydrophobicContact CD2-CG2 4.46Å; L368-V404 HydrophobicContact CD1-CB 4.45Å; L368-V404 HydrophobicContact CD1-CG2 3.5Å; L368-V404 VanDerWaalsContact CD1-CG2 3.5Å; L368-V414 HydrophobicContact CD1-CG1 3.72Å; L368-V414 HydrophobicContact CD2-CB 4.27Å; L368-V414 HydrophobicContact CD2-CG1 4.11Å; L368-V414 WeakPolarHBondContact CD2-O 3.47Å; L368-L416 HydrophobicContact CB-CB 3.88Å
369L77.7Confident82Confident65 Ų6562 Ų6234%0.3430%0.304SS..Hα-helixtrans-57-36.1171.4-79.4166.6000112.4T365 L366 L416 Y420 V422T365-L369 HydrophobicContact CG2-CD1 4.19Å; T365-L369 WeakPolarHBondContact O-CB 3.44Å; T365-L369 WeakPolarHBondContact O-CG 3.07Å; T365-L369 PolarHBondContact O-N 3.36Å; L366-L369 HydrophobicContact CD2-CD1 4.44Å; L369-L416 HydrophobicContact CD2-CD2 3.53Å; L369-L416 HydrophobicContact CG-CD2 3.7Å; L369-Y420 HydrophobicContact CD2-CD1 4.12Å; L369-V422 HydrophobicContact CD1-CG2 3.64Å; L369-V422 HydrophobicContact CD2-CG2 4.42Å
370S74.3Confident83Confident89 Ų8957.9 Ų57.962%0.62228%0.284SS*.Hα-helixtrans-88.4-34.3-178.565.70000114.6L366 I367 L368L366-S370 PolarHBondContact O-N 3.36Å; L366-S370 PolarHBondContact O-OG 3.07Å; I367-S370 PolarHBondContact O-N 2.92Å; I367-S370 PolarHBondContact O-OG 3.19Å; L368-S370 PolarHBondContact O-N 2.99Å
371R78.2Confident83.3Confident158 Ų15862.5 Ų62.560%0.59631%0.307SS*.Hα-helixtrans-108.9-0.4-169.9-67.4-171176.9-172.6-1.3115.2I367 Q373 V374I367-R371 PolarHBondContact O-N 3.03Å; R371-Q373 PolarHBondContact O-N 2.94Å; R371-V374 HydrophobicContact CB-CG2 3.76Å
372K74.4Confident83.3Confident131 Ų13168 Ų6857%0.5733%0.325SS*.SBendtrans60.4-47.6-173.3-64.3-172.3166.1-110.50115.1L368 F415 D418L368-K372 WeakPolarHBondContact O-CA 3.4Å; L368-K372 PolarHBondContact O-N 2.78Å; K372-F415 WeakPolarHBondContact O-CA 2.97Å; K372-F415 VanDerWaalsContact O-CB 3.26Å; K372-F415 WeakPolarHBondContact O-CB 3.11Å; K372-D418 IonicContact NZ-OD1 3.77Å; K372-D418 PolarHBondContact NZ-OD1 3.03Å; K372-D418 IonicContact NZ-OD2 2.7Å
373Q87.3Confident83.3Confident89 Ų8964.2 Ų64.242%0.41631%0.305SS..EExtended strand (participates in β ladder)trans-148.4136.2179.7-177.3178-22.500110.7R371 N411 G412 V414 F415R371-Q373 PolarHBondContact O-N 2.94Å; Q373-N411 PolarHBondContact NE2-O 3.25Å; Q373-G412 PolarHBondContact NE2-O 3.13Å; Q373-V414 CarbonylContact C-O 3.6Å; Q373-V414 WeakPolarHBondContact CA-O 3.4Å; Q373-F415 HydrophobicContact CB-CB 4.03Å; Q373-F415 HydrophobicContact CG-CB 4.13Å
374V90.9Very high82.9Confident7 Ų767.2 Ų67.24%0.04232%0.318CS..EExtended strand (participates in β ladder)trans-137.9145.5177.1-177.40000109.4I367 L368 R371 E378 L379 G413 V414I367-V374 HydrophobicContact CG2-CB 4.48Å; I367-V374 HydrophobicContact CG2-CG2 3.68Å; L368-V374 HydrophobicContact CD2-CB 4.43Å; L368-V374 HydrophobicContact CD2-CG2 4.46Å; R371-V374 HydrophobicContact CB-CG2 3.76Å; V374-E378 HydrophobicContact CG1-CB 3.82Å; V374-E378 WeakPolarHBondContact CG1-OE2 3.15Å; V374-L379 HydrophobicContact CB-CG 4.48Å; V374-L379 HydrophobicContact CG1-CD2 4.04Å; V374-L379 HydrophobicContact CG1-CG 3.96Å; V374-G413 CarbonylContact O-C 3.56Å; V374-G413 WeakPolarHBondContact O-CA 3.48Å; V374-V414 PolarHBondContact N-O 2.59Å; V374-V414 PolarHBondContact O-N 2.82Å
375T93Very high81.9Confident52 Ų5268.2 Ų68.232%0.31933%0.325SS..  trans-74.4148.4179.467.20000111.7K377 E378 L379T375-K377 PolarHBondContact O-N 2.62Å; T375-E378 PolarHBondContact N-OE2 2.92Å; T375-E378 PolarHBondContact O-N 2.78Å; T375-E378 VanDerWaalsContact O-N 3.14Å; T375-E378 WeakPolarHBondContact OG1-CB 3.33Å; T375-E378 VanDerWaalsContact OG1-CD 3.23Å; T375-E378 WeakPolarHBondContact OG1-CG 3.43Å; T375-E378 PolarHBondContact OG1-N 3.05Å; T375-E378 VanDerWaalsContact OG1-N 3.12Å; T375-E378 PolarHBondContact OG1-OE2 2.97Å; T375-L379 PolarHBondContact O-N 2.86Å; T375-L379 VanDerWaalsContact O-N 3.12Å
376A90.2Very high81.3Confident6 Ų670.4 Ų70.45%0.0534%0.34CS..Hα-helixtrans-60.6-27.5174.400000112.3A380 V387 I390 Y391 V414A376-A380 WeakPolarHBondContact O-CB 3.49Å; A376-A380 PolarHBondContact O-N 3.13Å; A376-V387 HydrophobicContact CB-CG1 3.85Å; A376-I390 HydrophobicContact CB-CB 4.46Å; A376-I390 HydrophobicContact CB-CG2 3.98Å; A376-Y391 HydrophobicContact CB-CE1 4.09Å; A376-Y391 HydrophobicContact CB-CE2 4.15Å; A376-V414 HydrophobicContact CB-CG2 4.3Å
377K90.1Very high81.3Confident132 Ų13268.4 Ų68.457%0.57433%0.332SS*.Hα-helixtrans-68.8-43.2175-169.8-176.6179.5-153.90112.1T375 A380 E381T375-K377 PolarHBondContact O-N 2.62Å; K377-A380 WeakPolarHBondContact O-CB 3.49Å; K377-A380 PolarHBondContact O-N 3.24Å; K377-E381 WeakPolarHBondContact CE-OE1 3.43Å; K377-E381 IonicContact NZ-OE1 2.72Å; K377-E381 WeakPolarHBondContact O-CG 3.39Å; K377-E381 PolarHBondContact O-N 2.86Å
378E91.1Very high80.7Confident99 Ų9976.6 Ų76.646%0.46336%0.362SS..Hα-helixtrans-65.8-40176.5-75.6162.6149.900112V374 T375 A380 R382V374-E378 HydrophobicContact CG1-CB 3.82Å; V374-E378 WeakPolarHBondContact CG1-OE2 3.15Å; T375-E378 PolarHBondContact N-OE2 2.92Å; T375-E378 PolarHBondContact O-N 2.78Å; T375-E378 VanDerWaalsContact O-N 3.14Å; T375-E378 WeakPolarHBondContact OG1-CB 3.33Å; T375-E378 VanDerWaalsContact OG1-CD 3.23Å; T375-E378 WeakPolarHBondContact OG1-CG 3.43Å; T375-E378 PolarHBondContact OG1-N 3.05Å; T375-E378 VanDerWaalsContact OG1-N 3.12Å; T375-E378 PolarHBondContact OG1-OE2 2.97Å; E378-A380 VanDerWaalsContact C-N 3.34Å; E378-R382 WeakPolarHBondContact O-CB 3.42Å; E378-R382 PolarHBondContact O-N 2.94Å
379L88.8Confident80Confident1 Ų178.3 Ų78.31%0.00537%0.373CS..Hα-helixtrans-64.3-41.8174.2-67.2174.3000111T364 I367 V374 T375 R382 F383 I390 V414T364-L379 HydrophobicContact CG2-CD1 4.12Å; I367-L379 HydrophobicContact CD1-CD2 4.08Å; I367-L379 HydrophobicContact CG2-CD2 4.16Å; V374-L379 HydrophobicContact CB-CG 4.48Å; V374-L379 HydrophobicContact CG1-CD2 4.04Å; V374-L379 HydrophobicContact CG1-CG 3.96Å; T375-L379 PolarHBondContact O-N 2.86Å; T375-L379 VanDerWaalsContact O-N 3.12Å; L379-R382 PolarHBondContact O-N 3.41Å; L379-F383 HydrophobicContact CB-CD2 4.21Å; L379-F383 HydrophobicContact CB-CE2 4.08Å; L379-F383 HydrophobicContact CD2-CE2 3.8Å; L379-F383 HydrophobicContact CD2-CZ 4.22Å; L379-F383 HydrophobicContact CG-CE2 4.46Å; L379-F383 WeakPolarHBondContact O-CB 3.22Å; L379-F383 WeakPolarHBondContact O-CD2 3.23Å; L379-F383 WeakPolarHBondContact O-CG 3.38Å; L379-F383 PolarHBondContact O-N 2.89Å; L379-I390 HydrophobicContact CB-CD1 3.77Å; L379-I390 HydrophobicContact CB-CG1 4.01Å; L379-I390 HydrophobicContact CB-CG2 3.93Å; L379-I390 HydrophobicContact CD1-CG2 3.82Å; L379-V414 HydrophobicContact CD1-CB 4.19Å; L379-V414 HydrophobicContact CD1-CG2 4.11Å
380A83.7Confident80.3Confident6 Ų675.2 Ų75.25%0.0536%0.357CS..Hα-helixtrans-60.6-48.6176.600000111.9A376 K377 E378 R382 Q384 V385 V387 I390A376-A380 WeakPolarHBondContact O-CB 3.49Å; A376-A380 PolarHBondContact O-N 3.13Å; K377-A380 WeakPolarHBondContact O-CB 3.49Å; K377-A380 PolarHBondContact O-N 3.24Å; E378-A380 VanDerWaalsContact C-N 3.34Å; A380-R382 VanDerWaalsContact C-N 3.32Å; A380-R382 PolarHBondContact O-N 3.11Å; A380-Q384 WeakPolarHBondContact O-CA 3.26Å; A380-Q384 PolarHBondContact O-N 3.32Å; A380-V385 CarbonylContact C-O 3.43Å; A380-V385 WeakPolarHBondContact CA-O 2.91Å; A380-V385 VanDerWaalsContact CB-O 3.27Å; A380-V385 WeakPolarHBondContact CB-O 3.24Å; A380-V385 PolarHBondContact O-N 3.19Å; A380-V387 HydrophobicContact CB-CB 4.49Å; A380-V387 HydrophobicContact CB-CG2 3.89Å; A380-I390 HydrophobicContact CB-CG1 3.82Å
381E81.8Confident80.7Confident126 Ų12675.5 Ų75.559%0.58935%0.345SS*.Hα-helixtrans-62-40175.1-73.8172.7-17700111.7K377K377-E381 WeakPolarHBondContact CE-OE1 3.43Å; K377-E381 IonicContact NZ-OE1 2.72Å; K377-E381 WeakPolarHBondContact O-CG 3.39Å; K377-E381 PolarHBondContact O-N 2.86Å
382R82.7Confident80.6Confident145 Ų14574.3 Ų74.355%0.54734%0.341SS..Hα-helixtrans-68.4-43.1-179.1-176.3171.6-173.21602.2113.1E378 L379 A380 Q384E378-R382 WeakPolarHBondContact O-CB 3.42Å; E378-R382 PolarHBondContact O-N 2.94Å; L379-R382 PolarHBondContact O-N 3.41Å; A380-R382 VanDerWaalsContact C-N 3.32Å; A380-R382 PolarHBondContact O-N 3.11Å; R382-Q384 VanDerWaalsContact C-N 3.33Å
383F75.6Confident81Confident27 Ų2768.2 Ų68.212%0.11831%0.314CS..Hα-helixtrans-91.10.7-178.9-56.4-47000112.9R360 Q363 T364 I367 L379 V385 I390R360-F383 HydrophobicContact CG-CB 4.26Å; R360-F383 HydrophobicContact CG-CD1 4.27Å; R360-F383 HydrophobicContact CG-CD2 3.58Å; R360-F383 HydrophobicContact CG-CE2 3.87Å; R360-F383 HydrophobicContact CG-CG 3.8Å; R360-F383 HydrophobicContact CG-CZ 4.33Å; Q363-F383 HydrophobicContact CB-CE1 3.76Å; Q363-F383 HydrophobicContact CB-CZ 3.89Å; T364-F383 WeakPolarHBondContact OG1-CE2 3.41Å; I367-F383 HydrophobicContact CD1-CE1 4.12Å; I367-F383 HydrophobicContact CD1-CZ 3.67Å; L379-F383 HydrophobicContact CB-CD2 4.21Å; L379-F383 HydrophobicContact CB-CE2 4.08Å; L379-F383 HydrophobicContact CD2-CE2 3.8Å; L379-F383 HydrophobicContact CD2-CZ 4.22Å; L379-F383 HydrophobicContact CG-CE2 4.46Å; L379-F383 WeakPolarHBondContact O-CB 3.22Å; L379-F383 WeakPolarHBondContact O-CD2 3.23Å; L379-F383 WeakPolarHBondContact O-CG 3.38Å; L379-F383 PolarHBondContact O-N 2.89Å; F383-V385 VanDerWaalsContact C-N 3.25Å; F383-V385 HydrophobicContact CB-CG1 4.42Å; F383-V385 HydrophobicContact CB-CG2 4.07Å; F383-V385 PolarHBondContact O-N 2.97Å; F383-I390 HydrophobicContact CD2-CD1 3.74Å; F383-I390 HydrophobicContact CE2-CD1 4.42Å
384Q70.4Confident81Confident149 Ų14964.3 Ų64.370%0.69630%0.296SS*.THydrogen-bonded Turntrans54.340.9-176.6-56.1-176.513.300112.9G335 A380 R382G335-Q384 VanDerWaalsContact CA-O 3.3Å; G335-Q384 WeakPolarHBondContact CA-O 3.5Å; A380-Q384 WeakPolarHBondContact O-CA 3.26Å; A380-Q384 PolarHBondContact O-N 3.32Å; R382-Q384 VanDerWaalsContact C-N 3.33Å
385V63.4Low80.6Confident22 Ų2268.8 Ų68.813%0.13332%0.32CS..SBendtrans-120.7169.3177.3-610000110.8A380 F383 T389 I390A380-V385 CarbonylContact C-O 3.43Å; A380-V385 WeakPolarHBondContact CA-O 2.91Å; A380-V385 VanDerWaalsContact CB-O 3.27Å; A380-V385 WeakPolarHBondContact CB-O 3.24Å; A380-V385 PolarHBondContact O-N 3.19Å; F383-V385 VanDerWaalsContact C-N 3.25Å; F383-V385 HydrophobicContact CB-CG1 4.42Å; F383-V385 HydrophobicContact CB-CG2 4.07Å; F383-V385 PolarHBondContact O-N 2.97Å; V385-T389 HydrophobicContact CB-CG2 3.94Å; V385-T389 HydrophobicContact CG1-CG2 4.2Å; V385-T389 HydrophobicContact CG2-CG2 4.08Å; V385-I390 HydrophobicContact CG2-CD1 3.42Å; V385-I390 VanDerWaalsContact CG2-CD1 3.42Å; V385-I390 HydrophobicContact CG2-CG1 3.96Å
386S68.8Low79.9Confident60 Ų6067.5 Ų67.542%0.4232%0.315SS..  trans-68.9153.3172.483.40000111.8R388 T389 I390S386-R388 PolarHBondContact O-N 3.42Å; S386-R388 VanDerWaalsContact O-N 3.16Å; S386-R388 WeakPolarHBondContact OG-CB 3.42Å; S386-R388 PolarHBondContact OG-N 3.44Å; S386-T389 VanDerWaalsContact O-CB 3.29Å; S386-T389 WeakPolarHBondContact O-CB 3.45Å; S386-T389 PolarHBondContact O-N 3.43Å; S386-T389 PolarHBondContact OG-N 3.14Å; S386-T389 PolarHBondContact OG-OG1 3.28Å; S386-I390 PolarHBondContact O-N 3.35Å
387V77.2Confident79.7Confident60 Ų6067.6 Ų67.636%0.36432%0.315SS..Hα-helixtrans-57.8-29.6171.1-1750000111.6A376 A380 I390 Y391A376-V387 HydrophobicContact CB-CG1 3.85Å; A380-V387 HydrophobicContact CB-CB 4.49Å; A380-V387 HydrophobicContact CB-CG2 3.89Å; V387-I390 PolarHBondContact O-N 3.05Å; V387-Y391 HydrophobicContact CG1-CD2 4.07Å; V387-Y391 HydrophobicContact CG1-CE2 3.58Å; V387-Y391 WeakPolarHBondContact O-CD2 3.41Å; V387-Y391 PolarHBondContact O-N 2.98Å
388R69.1Low79.3Confident182 Ų18264.3 Ų64.369%0.68731%0.308SS*.Hα-helixtrans-66.7-38.1176.2-171.8177.1-171.1165-0.3111.6S386 I390 Y391 R392S386-R388 PolarHBondContact O-N 3.42Å; S386-R388 VanDerWaalsContact O-N 3.16Å; S386-R388 WeakPolarHBondContact OG-CB 3.42Å; S386-R388 PolarHBondContact OG-N 3.44Å; R388-I390 VanDerWaalsContact C-N 3.35Å; R388-Y391 PolarHBondContact O-N 2.52Å; R388-R392 PolarHBondContact O-N 2.96Å; R388-R392 VanDerWaalsContact O-N 3.13Å
389T72Confident78.8Confident38 Ų3867 Ų6723%0.23332%0.324CS..Hα-helixtrans-61.3-44.1174.3-50.20000110.6V385 S386 Y391 R392 D393V385-T389 HydrophobicContact CB-CG2 3.94Å; V385-T389 HydrophobicContact CG1-CG2 4.2Å; V385-T389 HydrophobicContact CG2-CG2 4.08Å; S386-T389 VanDerWaalsContact O-CB 3.29Å; S386-T389 WeakPolarHBondContact O-CB 3.45Å; S386-T389 PolarHBondContact O-N 3.43Å; S386-T389 PolarHBondContact OG-N 3.14Å; S386-T389 PolarHBondContact OG-OG1 3.28Å; T389-Y391 VanDerWaalsContact C-N 3.33Å; T389-Y391 PolarHBondContact O-N 3.43Å; T389-R392 WeakPolarHBondContact O-CB 3.49Å; T389-R392 PolarHBondContact O-N 2.88Å; T389-R392 VanDerWaalsContact O-N 3.09Å; T389-D393 VanDerWaalsContact O-CG 3.29Å; T389-D393 PolarHBondContact O-N 3.06Å
390I83.7Confident78.3Confident1 Ų170.7 Ų70.71%0.00536%0.356CS..Hα-helixtrans-59.6-42176.5-58.3-54.8000112.3A376 L379 A380 F383 V385 S386 V387 R388 R392 D393 V394 V414A376-I390 HydrophobicContact CB-CB 4.46Å; A376-I390 HydrophobicContact CB-CG2 3.98Å; L379-I390 HydrophobicContact CB-CD1 3.77Å; L379-I390 HydrophobicContact CB-CG1 4.01Å; L379-I390 HydrophobicContact CB-CG2 3.93Å; L379-I390 HydrophobicContact CD1-CG2 3.82Å; A380-I390 HydrophobicContact CB-CG1 3.82Å; F383-I390 HydrophobicContact CD2-CD1 3.74Å; F383-I390 HydrophobicContact CE2-CD1 4.42Å; V385-I390 HydrophobicContact CG2-CD1 3.42Å; V385-I390 VanDerWaalsContact CG2-CD1 3.42Å; V385-I390 HydrophobicContact CG2-CG1 3.96Å; S386-I390 PolarHBondContact O-N 3.35Å; V387-I390 PolarHBondContact O-N 3.05Å; R388-I390 VanDerWaalsContact C-N 3.35Å; I390-R392 VanDerWaalsContact C-N 3.32Å; I390-R392 PolarHBondContact O-N 2.9Å; I390-D393 WeakPolarHBondContact O-CB 3.33Å; I390-D393 PolarHBondContact O-N 3Å; I390-V394 WeakPolarHBondContact O-CG2 3.43Å; I390-V394 PolarHBondContact O-N 3.24Å; I390-V414 HydrophobicContact CG2-CG2 4.45Å
391Y82.8Confident78.1Confident95 Ų9573.2 Ų73.237%0.37338%0.382SS..Hα-helixtrans-65.9-36.1176.7-72.4-60.9000112.4A376 V387 R388 T389 D393 V394 D395 A406A376-Y391 HydrophobicContact CB-CE1 4.09Å; A376-Y391 HydrophobicContact CB-CE2 4.15Å; V387-Y391 HydrophobicContact CG1-CD2 4.07Å; V387-Y391 HydrophobicContact CG1-CE2 3.58Å; V387-Y391 WeakPolarHBondContact O-CD2 3.41Å; V387-Y391 PolarHBondContact O-N 2.98Å; R388-Y391 PolarHBondContact O-N 2.52Å; T389-Y391 VanDerWaalsContact C-N 3.33Å; T389-Y391 PolarHBondContact O-N 3.43Å; Y391-D393 VanDerWaalsContact C-N 3.32Å; Y391-V394 PolarHBondContact O-N 2.77Å; Y391-D395 PolarHBondContact O-N 2.72Å; Y391-A406 HydrophobicContact CD1-CB 4.43Å; Y391-A406 HydrophobicContact CE1-CB 4.1Å
392R76.3Confident78.1Confident133 Ų13368.1 Ų68.150%0.50236%0.359SS..Hα-helixtrans-62.9-39.3171.2-73-176.2177.4173.5-0.4111.9D309 R388 T389 I390 V394 D395 A396D309-R392 IonicContact OD1-NH1 3.82Å; R388-R392 PolarHBondContact O-N 2.96Å; R388-R392 VanDerWaalsContact O-N 3.13Å; T389-R392 WeakPolarHBondContact O-CB 3.49Å; T389-R392 PolarHBondContact O-N 2.88Å; T389-R392 VanDerWaalsContact O-N 3.09Å; I390-R392 VanDerWaalsContact C-N 3.32Å; I390-R392 PolarHBondContact O-N 2.9Å; R392-V394 VanDerWaalsContact C-N 3.34Å; R392-D395 PolarHBondContact O-N 2.86Å; R392-A396 WeakPolarHBondContact O-CB 3.21Å; R392-A396 PolarHBondContact O-N 3.01Å
393D82.2Confident78.1Confident2 Ų262.5 Ų62.51%0.01134%0.342CS..Hα-helixtrans-64.5-39.5176.1-62-34.3000112R360 L361 T389 I390 Y391 A396 L397R360-D393 WeakPolarHBondContact CD-OD2 3.35Å; R360-D393 IonicContact CZ-OD1 3.61Å; R360-D393 IonicContact CZ-OD2 2.63Å; R360-D393 VanDerWaalsContact NE-CG 3.34Å; R360-D393 IonicContact NE-OD1 2.74Å; R360-D393 PolarHBondContact NE-OD1 3.33Å; R360-D393 IonicContact NE-OD2 3.03Å; R360-D393 PolarHBondContact NE-OD2 2.66Å; R360-D393 IonicContact NH2-OD1 3.44Å; R360-D393 PolarHBondContact NH2-OD1 3.04Å; R360-D393 IonicContact NH2-OD2 3.74Å; L361-D393 HydrophobicContact CD2-CB 3.64Å; L361-D393 WeakPolarHBondContact CD2-O 3.22Å; T389-D393 VanDerWaalsContact O-CG 3.29Å; T389-D393 PolarHBondContact O-N 3.06Å; I390-D393 WeakPolarHBondContact O-CB 3.33Å; I390-D393 PolarHBondContact O-N 3Å; Y391-D393 VanDerWaalsContact C-N 3.32Å; D393-A396 PolarHBondContact O-N 2.92Å; D393-L397 WeakPolarHBondContact O-CB 3.25Å; D393-L397 PolarHBondContact O-N 3.23Å
394V88.2Confident78.6Confident7 Ų761.4 Ų61.44%0.04234%0.337CS..Hα-helixtrans-61.9-43.9174.6170.60000111I390 Y391 R392 A396 L397 S398 V404 A406 V414I390-V394 WeakPolarHBondContact O-CG2 3.43Å; I390-V394 PolarHBondContact O-N 3.24Å; Y391-V394 PolarHBondContact O-N 2.77Å; R392-V394 VanDerWaalsContact C-N 3.34Å; V394-A396 VanDerWaalsContact C-N 3.35Å; V394-L397 PolarHBondContact O-N 2.58Å; V394-S398 WeakPolarHBondContact O-CB 3.44Å; V394-S398 PolarHBondContact O-N 3.1Å; V394-V404 HydrophobicContact CG1-CG1 4.13Å; V394-V404 HydrophobicContact CG1-CG2 4.23Å; V394-V404 HydrophobicContact CG2-CG2 4.46Å; V394-V404 WeakPolarHBondContact O-CG1 3.46Å; V394-A406 HydrophobicContact CG1-CB 4.37Å; V394-V414 HydrophobicContact CG2-CB 4.34Å; V394-V414 HydrophobicContact CG2-CG1 3.5Å; V394-V414 HydrophobicContact CG2-CG2 3.81Å
395D81.9Confident79.4Confident102 Ų10259.4 Ų59.455%0.54532%0.324SS..Hα-helixtrans-62.8-42.3175.8-68.7-25.3000111.1Y391 R392 S398 L399Y391-D395 PolarHBondContact O-N 2.72Å; R392-D395 PolarHBondContact O-N 2.86Å; D395-S398 PolarHBondContact O-N 3.1Å; D395-L399 WeakPolarHBondContact O-CB 3.47Å; D395-L399 WeakPolarHBondContact O-CD1 3.38Å; D395-L399 WeakPolarHBondContact O-CG 3.36Å; D395-L399 PolarHBondContact O-N 3.04Å
396A78.1Confident80.5Confident25 Ų2560.3 Ų60.321%0.20733%0.334CS..Hα-helixtrans-64.3-44.6177.300000112.7L361 R392 D393 V394 S398 L399 A400L361-A396 HydrophobicContact CD1-CB 4.25Å; L361-A396 HydrophobicContact CD2-CB 3.94Å; R392-A396 WeakPolarHBondContact O-CB 3.21Å; R392-A396 PolarHBondContact O-N 3.01Å; D393-A396 PolarHBondContact O-N 2.92Å; V394-A396 VanDerWaalsContact C-N 3.35Å; A396-S398 VanDerWaalsContact C-N 3.34Å; A396-S398 PolarHBondContact O-N 3.24Å; A396-L399 PolarHBondContact O-N 3.28Å; A396-A400 WeakPolarHBondContact O-CB 3.22Å; A396-A400 PolarHBondContact O-N 3.13Å
397L85.8Confident81.2Confident8 Ų862 Ų624%0.04234%0.338CS..Hα-helixtrans-60.7-43173.6-82.8172.7000111.6L361 T364 T365 D393 V394 L399 A400 G401 V402 V404L361-L397 HydrophobicContact CB-CD2 3.85Å; L361-L397 HydrophobicContact CB-CG 4.14Å; L361-L397 HydrophobicContact CD2-CD1 4.35Å; L361-L397 HydrophobicContact CD2-CD2 4.32Å; L361-L397 HydrophobicContact CD2-CG 3.7Å; L361-L397 HydrophobicContact CG-CG 4.43Å; T364-L397 HydrophobicContact CG2-CD1 3.81Å; T365-L397 VanDerWaalsContact OG1-CD2 3.24Å; T365-L397 WeakPolarHBondContact OG1-CD2 3.24Å; D393-L397 WeakPolarHBondContact O-CB 3.25Å; D393-L397 PolarHBondContact O-N 3.23Å; V394-L397 PolarHBondContact O-N 2.58Å; L397-L399 VanDerWaalsContact C-N 3.34Å; L397-A400 CarbonylContact O-C 3.55Å; L397-A400 PolarHBondContact O-N 3.32Å; L397-G401 PolarHBondContact O-N 3.35Å; L397-V402 HydrophobicContact CB-CB 4.27Å; L397-V402 HydrophobicContact CD2-CB 4.19Å; L397-V402 HydrophobicContact CD2-CG1 4.43Å; L397-V402 HydrophobicContact CD2-CG2 3.98Å; L397-V402 WeakPolarHBondContact O-CB 3.42Å; L397-V402 PolarHBondContact O-N 2.79Å; L397-V404 HydrophobicContact CB-CG1 3.44Å; L397-V404 VanDerWaalsContact CB-CG1 3.44Å; L397-V404 HydrophobicContact CD1-CG1 4.29Å
398S82.3Confident81.2Confident62 Ų6268.4 Ų68.443%0.43436%0.362SS..Hα-helixtrans-64.6-39177.3-174.20000112V394 D395 A396 A400 G401 V402V394-S398 WeakPolarHBondContact O-CB 3.44Å; V394-S398 PolarHBondContact O-N 3.1Å; D395-S398 PolarHBondContact O-N 3.1Å; A396-S398 VanDerWaalsContact C-N 3.34Å; A396-S398 PolarHBondContact O-N 3.24Å; S398-A400 VanDerWaalsContact C-N 3.31Å; S398-G401 PolarHBondContact O-N 3.02Å; S398-V402 WeakPolarHBondContact CA-O 3.42Å
399L79.8Confident81.4Confident155 Ų15562.6 Ų62.681%0.81236%0.358SS*.Hα-helixtrans-66.2-32.5174.2-81.5157.7000112.2D395 A396 L397 G401D395-L399 WeakPolarHBondContact O-CB 3.47Å; D395-L399 WeakPolarHBondContact O-CD1 3.38Å; D395-L399 WeakPolarHBondContact O-CG 3.36Å; D395-L399 PolarHBondContact O-N 3.04Å; A396-L399 PolarHBondContact O-N 3.28Å; L397-L399 VanDerWaalsContact C-N 3.34Å; L399-G401 PolarHBondContact O-N 3.2Å
400A79.1Confident81.4Confident80 Ų8073 Ų7366%0.66139%0.393SS*.THydrogen-bonded Turntrans-77.82.3175.100000114A396 L397 S398A396-A400 WeakPolarHBondContact O-CB 3.22Å; A396-A400 PolarHBondContact O-N 3.13Å; L397-A400 CarbonylContact O-C 3.55Å; L397-A400 PolarHBondContact O-N 3.32Å; S398-A400 VanDerWaalsContact C-N 3.31Å
401G78.7Confident80.7Confident59 Ų5979.9 Ų79.961%0.60843%0.43SS*.THydrogen-bonded Turntrans84.47.5177.800000115L397 S398 L399L397-G401 PolarHBondContact O-N 3.35Å; S398-G401 PolarHBondContact O-N 3.02Å; L399-G401 PolarHBondContact O-N 3.2Å
402V81Confident80.5Confident18 Ų1876 Ų7611%0.10942%0.419CS..  trans-77.6122.1168.5-178.90000107.7T365 L397 S398 V404 L416T365-V402 HydrophobicContact CG2-CG1 4.24Å; L397-V402 HydrophobicContact CB-CB 4.27Å; L397-V402 HydrophobicContact CD2-CB 4.19Å; L397-V402 HydrophobicContact CD2-CG1 4.43Å; L397-V402 HydrophobicContact CD2-CG2 3.98Å; L397-V402 WeakPolarHBondContact O-CB 3.42Å; L397-V402 PolarHBondContact O-N 2.79Å; S398-V402 WeakPolarHBondContact CA-O 3.42Å; V402-V404 PolarHBondContact O-N 2.82Å; V402-L416 HydrophobicContact CG1-CD1 3.52Å
403P83.6Confident81Confident28 Ų2869.9 Ų69.918%0.18240%0.398CS..  trans-78.564.6-174.834.2-37000111Y405 L416 D417 Y420P403-Y405 HydrophobicContact CB-CE2 4.11Å; P403-Y405 WeakPolarHBondContact O-CD2 3.39Å; P403-Y405 VanDerWaalsContact O-CE2 3.27Å; P403-Y405 WeakPolarHBondContact O-CE2 3.38Å; P403-L416 HydrophobicContact CG-CD1 4.27Å; P403-D417 HydrophobicContact CB-CB 3.87Å; P403-D417 HydrophobicContact CG-CB 3.88Å; P403-D417 PolarHBondContact O-N 2.92Å; P403-Y420 HydrophobicContact CG-CD2 3.59Å; P403-Y420 HydrophobicContact CG-CE2 4.39Å; P403-Y420 HydrophobicContact CG-CG 3.94Å
404V86.6Confident81.4Confident3 Ų369.8 Ų69.82%0.01840%0.397CS..EExtended strand (participates in β ladder)trans-94.8139.6175.665.30000110.1L368 V394 L397 V402 V414 F415L368-V404 HydrophobicContact CD1-CB 4.45Å; L368-V404 HydrophobicContact CD1-CG2 3.5Å; L368-V404 VanDerWaalsContact CD1-CG2 3.5Å; V394-V404 HydrophobicContact CG1-CG1 4.13Å; V394-V404 HydrophobicContact CG1-CG2 4.23Å; V394-V404 HydrophobicContact CG2-CG2 4.46Å; V394-V404 WeakPolarHBondContact O-CG1 3.46Å; L397-V404 HydrophobicContact CB-CG1 3.44Å; L397-V404 VanDerWaalsContact CB-CG1 3.44Å; L397-V404 HydrophobicContact CD1-CG1 4.29Å; V402-V404 PolarHBondContact O-N 2.82Å; V404-V414 HydrophobicContact CG2-CG1 3.41Å; V404-V414 VanDerWaalsContact CG2-CG1 3.41Å; V404-F415 WeakPolarHBondContact CA-O 3.23Å
405Y87.6Confident81.4Confident107 Ų10771.8 Ų71.842%0.4241%0.405SS..EExtended strand (participates in β ladder)trans-136.2156.8-177.7-55.5-76.9000109.9P403 V414 F415 D417P403-Y405 HydrophobicContact CB-CE2 4.11Å; P403-Y405 WeakPolarHBondContact O-CD2 3.39Å; P403-Y405 VanDerWaalsContact O-CE2 3.27Å; P403-Y405 WeakPolarHBondContact O-CE2 3.38Å; Y405-V414 CarbonylContact O-C 3.56Å; Y405-V414 VanDerWaalsContact O-CA 3.28Å; Y405-V414 WeakPolarHBondContact O-CA 3.39Å; Y405-F415 HydrophobicContact CD2-CD2 4.28Å; Y405-F415 AromaticContact CD2-CE2 3.77Å; Y405-F415 HydrophobicContact CD2-CE2 3.77Å; Y405-F415 HydrophobicContact CD2-CZ 4.28Å; Y405-F415 HydrophobicContact CG-CE2 4.07Å; Y405-F415 HydrophobicContact CG-CZ 4.09Å; Y405-F415 PolarHBondContact N-O 2.83Å; Y405-F415 WeakPolarHBondContact O-CD1 3.24Å; Y405-F415 PolarHBondContact O-N 2.83Å; Y405-D417 HydrophobicContact CE2-CB 4.21Å
406A86.6Confident81.5Confident42 Ų4267.5 Ų67.535%0.34738%0.382SS..EExtended strand (participates in β ladder)trans-129.2123.3175.500000111.4Y391 V394 G413 V414Y391-A406 HydrophobicContact CD1-CB 4.43Å; Y391-A406 HydrophobicContact CE1-CB 4.1Å; V394-A406 HydrophobicContact CG1-CB 4.37Å; A406-G413 WeakPolarHBondContact CA-O 3.32Å; A406-V414 HydrophobicContact CB-CG2 4.42Å
407N83Confident81.6Confident94 Ų9469.6 Ų69.650%0.50339%0.39SS..EExtended strand (participates in β ladder)trans-98.4134.4172.5-78.8-33.4000110.5G412 G413 F415N407-G412 CarbonylContact O-C 3.56Å; N407-G412 WeakPolarHBondContact O-CA 3.02Å; N407-G413 PolarHBondContact N-O 3.33Å; N407-G413 PolarHBondContact O-N 3Å; N407-F415 HydrophobicContact CB-CE1 4.2Å; N407-F415 WeakPolarHBondContact ND2-CE1 3.38Å
408K77.5Confident81Confident196 Ų19674.7 Ų74.785%0.85242%0.417SS*.  trans-84.9147.9170.6-66.3-177.8-178.8177.30110.5
409G73.4Confident80.4Confident60 Ų6075.5 Ų75.562%0.61943%0.428SS*.SBendtrans128.3-177.2172.200000113.8N411 G412G409-N411 PolarHBondContact O-N 3.26Å; G409-G412 WeakPolarHBondContact O-CA 3.39Å; G409-G412 PolarHBondContact O-N 3.46Å
410R70.5Confident79.9Confident255 Ų25572 Ų7296%0.96240%0.404SS*.THydrogen-bonded Turntrans-62.4-27.8-175.3-162.2175.4-174.6177.11.5113.7
411N69.7Low79Confident146 Ų14675.9 Ų75.978%0.78141%0.408SS*.THydrogen-bonded Turntrans-11321.1173.1-60.2-12.6000111.3Q373 G409Q373-N411 PolarHBondContact NE2-O 3.25Å; G409-N411 PolarHBondContact O-N 3.26Å
412G78Confident77.9Confident13 Ų1376.8 Ų76.813%0.13440%0.402CS..  trans-71.4162.6177.400000111.8Q373 N407 G409Q373-G412 PolarHBondContact NE2-O 3.13Å; N407-G412 CarbonylContact O-C 3.56Å; N407-G412 WeakPolarHBondContact O-CA 3.02Å; G409-G412 WeakPolarHBondContact O-CA 3.39Å; G409-G412 PolarHBondContact O-N 3.46Å
413G87.3Confident76.6Confident6 Ų679.8 Ų79.86%0.06242%0.423CS..EExtended strand (participates in β ladder)trans172.8168.5-179.500000111V374 A406 N407V374-G413 CarbonylContact O-C 3.56Å; V374-G413 WeakPolarHBondContact O-CA 3.48Å; A406-G413 WeakPolarHBondContact CA-O 3.32Å; N407-G413 PolarHBondContact N-O 3.33Å; N407-G413 PolarHBondContact O-N 3Å
414V90.4Very high75Confident0 Ų086 Ų860%046%0.456CS..EExtended strand (participates in β ladder)trans-84.3130.6168.9-172.70000107.6L368 Q373 V374 A376 L379 I390 V394 V404 Y405 A406L368-V414 HydrophobicContact CD1-CG1 3.72Å; L368-V414 HydrophobicContact CD2-CB 4.27Å; L368-V414 HydrophobicContact CD2-CG1 4.11Å; L368-V414 WeakPolarHBondContact CD2-O 3.47Å; Q373-V414 CarbonylContact C-O 3.6Å; Q373-V414 WeakPolarHBondContact CA-O 3.4Å; V374-V414 PolarHBondContact N-O 2.59Å; V374-V414 PolarHBondContact O-N 2.82Å; A376-V414 HydrophobicContact CB-CG2 4.3Å; L379-V414 HydrophobicContact CD1-CB 4.19Å; L379-V414 HydrophobicContact CD1-CG2 4.11Å; I390-V414 HydrophobicContact CG2-CG2 4.45Å; V394-V414 HydrophobicContact CG2-CB 4.34Å; V394-V414 HydrophobicContact CG2-CG1 3.5Å; V394-V414 HydrophobicContact CG2-CG2 3.81Å; V404-V414 HydrophobicContact CG2-CG1 3.41Å; V404-V414 VanDerWaalsContact CG2-CG1 3.41Å; Y405-V414 CarbonylContact O-C 3.56Å; Y405-V414 VanDerWaalsContact O-CA 3.28Å; Y405-V414 WeakPolarHBondContact O-CA 3.39Å; A406-V414 HydrophobicContact CB-CG2 4.42Å
415F89Confident73.3Confident49 Ų4990 Ų9022%0.21549%0.488CS..EExtended strand (participates in β ladder)trans-141.7152.3-17861.9-81.9000110.8K372 Q373 V404 Y405 N407K372-F415 WeakPolarHBondContact O-CA 2.97Å; K372-F415 VanDerWaalsContact O-CB 3.26Å; K372-F415 WeakPolarHBondContact O-CB 3.11Å; Q373-F415 HydrophobicContact CB-CB 4.03Å; Q373-F415 HydrophobicContact CG-CB 4.13Å; V404-F415 WeakPolarHBondContact CA-O 3.23Å; Y405-F415 HydrophobicContact CD2-CD2 4.28Å; Y405-F415 AromaticContact CD2-CE2 3.77Å; Y405-F415 HydrophobicContact CD2-CE2 3.77Å; Y405-F415 HydrophobicContact CD2-CZ 4.28Å; Y405-F415 HydrophobicContact CG-CE2 4.07Å; Y405-F415 HydrophobicContact CG-CZ 4.09Å; Y405-F415 PolarHBondContact N-O 2.83Å; Y405-F415 WeakPolarHBondContact O-CD1 3.24Å; Y405-F415 PolarHBondContact O-N 2.83Å; N407-F415 HydrophobicContact CB-CE1 4.2Å; N407-F415 WeakPolarHBondContact ND2-CE1 3.38Å
416L84.3Confident71.8Confident12 Ų1291.1 Ų91.16%0.06350%0.501CS..EExtended strand (participates in β ladder)trans-101.3143.2174.7-171.173000108.8L368 L369 V402 P403 D418 Y420L368-L416 HydrophobicContact CB-CB 3.88Å; L369-L416 HydrophobicContact CD2-CD2 3.53Å; L369-L416 HydrophobicContact CG-CD2 3.7Å; V402-L416 HydrophobicContact CG1-CD1 3.52Å; P403-L416 HydrophobicContact CG-CD1 4.27Å; L416-D418 PolarHBondContact O-N 2.85Å; L416-Y420 HydrophobicContact CD1-CD1 4.27Å; L416-Y420 HydrophobicContact CD1-CG 4.43Å; L416-Y420 HydrophobicContact CD2-CD1 3.69Å; L416-Y420 HydrophobicContact CD2-CE1 4.47Å; L416-Y420 HydrophobicContact CD2-CG 4.29Å; L416-Y420 HydrophobicContact CG-CD1 4.26Å; L416-Y420 HydrophobicContact CG-CG 4.43Å
417D79.9Confident70.7Confident68 Ų6892.2 Ų92.236%0.36450%0.5SS..  trans-54.1128.7172.8-164.5-51.8000110.8P403 Y405 A419 Y420P403-D417 HydrophobicContact CB-CB 3.87Å; P403-D417 HydrophobicContact CG-CB 3.88Å; P403-D417 PolarHBondContact O-N 2.92Å; Y405-D417 HydrophobicContact CE2-CB 4.21Å; D417-A419 PolarHBondContact O-N 2.96Å; D417-A419 WeakPolarHBondContact OD1-CB 3.31Å; D417-A419 PolarHBondContact OD1-N 2.98Å; D417-Y420 WeakPolarHBondContact O-CB 3.39Å; D417-Y420 PolarHBondContact O-N 2.9Å
418D72.3Confident69.9Low115 Ų11592 Ų9262%0.61550%0.499SS*.THydrogen-bonded Turntrans-58.5-20.7-178.1-84.9-39000112.8K372 L416K372-D418 IonicContact NZ-OD1 3.77Å; K372-D418 PolarHBondContact NZ-OD1 3.03Å; K372-D418 IonicContact NZ-OD2 2.7Å; L416-D418 PolarHBondContact O-N 2.85Å
419A69.8Low69.4Low79 Ų7988 Ų8865%0.65348%0.482SS*.THydrogen-bonded Turntrans-82.8-7.1178.400000114.2D417 H421D417-A419 PolarHBondContact O-N 2.96Å; D417-A419 WeakPolarHBondContact OD1-CB 3.31Å; D417-A419 PolarHBondContact OD1-N 2.98Å; A419-H421 PolarHBondContact O-N 3.22Å
420Y68.8Low69Low82 Ų8287.8 Ų87.832%0.32248%0.475SS..  trans-82117.1-177.4-170.9-93.1000111.8L369 P403 L416 D417 V422L369-Y420 HydrophobicContact CD2-CD1 4.12Å; P403-Y420 HydrophobicContact CG-CD2 3.59Å; P403-Y420 HydrophobicContact CG-CE2 4.39Å; P403-Y420 HydrophobicContact CG-CG 3.94Å; L416-Y420 HydrophobicContact CD1-CD1 4.27Å; L416-Y420 HydrophobicContact CD1-CG 4.43Å; L416-Y420 HydrophobicContact CD2-CD1 3.69Å; L416-Y420 HydrophobicContact CD2-CE1 4.47Å; L416-Y420 HydrophobicContact CD2-CG 4.29Å; L416-Y420 HydrophobicContact CG-CD1 4.26Å; L416-Y420 HydrophobicContact CG-CG 4.43Å; D417-Y420 WeakPolarHBondContact O-CB 3.39Å; D417-Y420 PolarHBondContact O-N 2.9Å; Y420-V422 HydrophobicContact CE1-CG2 4.31Å
421H60.5Low68.9Low161 Ų16180.2 Ų80.275%0.74545%0.45SS*.  trans-122.9136.4173.1-66.8-69.9000110.2A419 S423A419-H421 PolarHBondContact O-N 3.22Å; H421-S423 PolarHBondContact O-N 2.95Å
422V56.3Low68.8Low79 Ų7974.7 Ų74.748%0.47942%0.42SS..  trans-75114.8172.9-174.70000108.2L369 Y420 L426L369-V422 HydrophobicContact CD1-CG2 3.64Å; L369-V422 HydrophobicContact CD2-CG2 4.42Å; Y420-V422 HydrophobicContact CE1-CG2 4.31Å; V422-L426 HydrophobicContact CG1-CD1 4.36Å
423S52.5Low68.3Low80 Ų8076 Ų7656%0.55942%0.424SS*.  trans-70.8140.6173.673.10000110.2H421 A425H421-S423 PolarHBondContact O-N 2.95Å; S423-A425 PolarHBondContact O-N 2.9Å
424N50.1Low67.3Low160 Ų16078.9 Ų78.986%0.85644%0.438SS*.SBendtrans-57.514.2178-72.1-2.7000116.1
425A51.4Low66.5Low85 Ų8581.9 Ų81.970%0.70245%0.453SS*.  trans-105.415.3-163.700000115.1S423S423-A425 PolarHBondContact O-N 2.9Å
426L57.1Low65.6Low132 Ų13281.3 Ų81.369%0.69145%0.451SS*.SBendtrans-106-13.7-170.8-83.2160.1000116.1V422V422-L426 HydrophobicContact CG1-CD1 4.36Å
427I62.8Low64.8Low65 Ų6581.6 Ų81.633%0.33345%0.452SS..  trans-130.6115.6-175.3-50.5-178.6000110E431 Q432I427-E431 VanDerWaalsContact CA-OE2 3.26Å; I427-E431 WeakPolarHBondContact CA-OE2 3.26Å; I427-E431 HydrophobicContact CG2-CB 3.37Å; I427-Q432 HydrophobicContact CG2-CG 3.94Å; I427-Q432 PolarHBondContact O-NE2 3.01Å
428D66.7Low64.3Low90 Ų9080.5 Ų80.548%0.48145%0.452SS..  trans-75178.1177.681.725000112.7A430 E431 Q432D428-A430 PolarHBondContact O-N 3.07Å; D428-A430 WeakPolarHBondContact OD1-CA 3.28Å; D428-A430 WeakPolarHBondContact OD1-CB 3.36Å; D428-A430 PolarHBondContact OD1-N 3.43Å; D428-E431 PolarHBondContact N-OE2 3.42Å; D428-E431 PolarHBondContact O-N 2.66Å; D428-E431 PolarHBondContact OD1-N 3.1Å; D428-Q432 WeakPolarHBondContact O-CB 3.17Å; D428-Q432 WeakPolarHBondContact O-CG 3.29Å; D428-Q432 PolarHBondContact O-N 3.12Å; D428-Q432 PolarHBondContact O-NE2 3.29Å
429K65.9Low64.1Low110 Ų11075.7 Ų75.748%0.47843%0.427SS..Hα-helixtrans-68.2-33.9-176.2-174.554.7177.5144.10112.8Q432 D433K429-Q432 PolarHBondContact O-N 3.39Å; K429-D433 IonicContact NZ-OD1 2.77Å; K429-D433 PolarHBondContact NZ-OD1 3.07Å; K429-D433 PolarHBondContact O-N 2.94Å; K429-D433 VanDerWaalsContact O-N 3.13Å
430A66Low63.9Low57 Ų5773.3 Ų73.347%0.47140%0.402SS..Hα-helixtrans-69.4-43.9177.400000110.5D428 Q432 D433 D434D428-A430 PolarHBondContact O-N 3.07Å; D428-A430 WeakPolarHBondContact OD1-CA 3.28Å; D428-A430 WeakPolarHBondContact OD1-CB 3.36Å; D428-A430 PolarHBondContact OD1-N 3.43Å; A430-Q432 VanDerWaalsContact C-N 3.3Å; A430-Q432 PolarHBondContact O-N 3.28Å; A430-D433 PolarHBondContact O-N 3.14Å; A430-D434 PolarHBondContact O-N 2.91Å
431E67.8Low63.5Low96 Ų9670.8 Ų70.845%0.44939%0.394SS..Hα-helixtrans-64.7-33.6176-64.6173137.800112I427 D428 L435I427-E431 VanDerWaalsContact CA-OE2 3.26Å; I427-E431 WeakPolarHBondContact CA-OE2 3.26Å; I427-E431 HydrophobicContact CG2-CB 3.37Å; D428-E431 PolarHBondContact N-OE2 3.42Å; D428-E431 PolarHBondContact O-N 2.66Å; D428-E431 PolarHBondContact OD1-N 3.1Å; E431-L435 VanDerWaalsContact O-CB 3.27Å; E431-L435 WeakPolarHBondContact O-CB 3.47Å; E431-L435 PolarHBondContact O-N 2.89Å
432Q68Low63.6Low30 Ų3066.5 Ų66.514%0.1438%0.376CS..Hα-helixtrans-64.2-42.7172.4-74.916333.800112.5I427 D428 K429 A430 L435 F436 Y461I427-Q432 HydrophobicContact CG2-CG 3.94Å; I427-Q432 PolarHBondContact O-NE2 3.01Å; D428-Q432 WeakPolarHBondContact O-CB 3.17Å; D428-Q432 WeakPolarHBondContact O-CG 3.29Å; D428-Q432 PolarHBondContact O-N 3.12Å; D428-Q432 PolarHBondContact O-NE2 3.29Å; K429-Q432 PolarHBondContact O-N 3.39Å; A430-Q432 VanDerWaalsContact C-N 3.3Å; A430-Q432 PolarHBondContact O-N 3.28Å; Q432-L435 PolarHBondContact O-N 2.7Å; Q432-F436 WeakPolarHBondContact O-CB 3.48Å; Q432-F436 PolarHBondContact O-N 3.43Å; Q432-Y461 VanDerWaalsContact CD-CE1 3.42Å; Q432-Y461 HydrophobicContact CG-CD1 3.66Å; Q432-Y461 HydrophobicContact CG-CE1 3.66Å; Q432-Y461 HydrophobicContact CG-CG 4.27Å; Q432-Y461 VanDerWaalsContact OE1-CD1 3.3Å
433D67Low63.9Low41 Ų4166.1 Ų66.122%0.21937%0.369CS..Hα-helixtrans-71.5-37.4-179.2-63.4-18000110.8K429 A430 F436 L437 F489K429-D433 IonicContact NZ-OD1 2.77Å; K429-D433 PolarHBondContact NZ-OD1 3.07Å; K429-D433 PolarHBondContact O-N 2.94Å; K429-D433 VanDerWaalsContact O-N 3.13Å; A430-D433 PolarHBondContact O-N 3.14Å; D433-F436 PolarHBondContact O-N 2.87Å; D433-L437 WeakPolarHBondContact O-CB 3.37Å; D433-L437 PolarHBondContact O-N 2.98Å; D433-F489 HydrophobicContact CB-CE1 4.46Å; D433-F489 HydrophobicContact CB-CZ 3.93Å
434D67.5Low63.9Low66 Ų6663.4 Ų63.435%0.35335%0.35SS..Hα-helixtrans-64.1-40.9172.9-72.4-19.9000111.5A430 L437 A438 K485A430-D434 PolarHBondContact O-N 2.91Å; D434-L437 PolarHBondContact O-N 3.01Å; D434-A438 WeakPolarHBondContact O-CB 3.3Å; D434-A438 PolarHBondContact O-N 3.19Å; D434-K485 WeakPolarHBondContact OD1-CE 3.25Å; D434-K485 IonicContact OD1-NZ 2.7Å; D434-K485 PolarHBondContact OD1-NZ 3.4Å; D434-K485 IonicContact OD2-NZ 2.74Å
435L73.7Confident64Low63 Ų6358.6 Ų58.633%0.3333%0.326SS..Hα-helixtrans-66.1-40.7175.6-174.363.5000112.1E431 Q432 A438 L439 M457E431-L435 VanDerWaalsContact O-CB 3.27Å; E431-L435 WeakPolarHBondContact O-CB 3.47Å; E431-L435 PolarHBondContact O-N 2.89Å; Q432-L435 PolarHBondContact O-N 2.7Å; L435-A438 PolarHBondContact O-N 3.48Å; L435-L439 HydrophobicContact CG-CD1 4.42Å; L435-L439 WeakPolarHBondContact O-CB 3.39Å; L435-L439 VanDerWaalsContact O-CG 3.29Å; L435-L439 WeakPolarHBondContact O-CG 3.38Å; L435-L439 PolarHBondContact O-N 2.93Å; L435-M457 HydrophobicContact CD2-CE 3.29Å; L435-M457 HydrophobicContact CG-CE 4.22Å
436F69.6Low63.8Low36 Ų3657.7 Ų57.716%0.15833%0.325CS..Hα-helixtrans-59.4-48.3174.5177.4-109.3000111.7Q432 D433 L439 H440 L454 W463Q432-F436 WeakPolarHBondContact O-CB 3.48Å; Q432-F436 PolarHBondContact O-N 3.43Å; D433-F436 PolarHBondContact O-N 2.87Å; F436-L439 PolarHBondContact O-N 2.69Å; F436-H440 AromaticContact CD2-CE1 4Å; F436-H440 AromaticContact CD2-ND1 3.75Å; F436-H440 AromaticContact CE1-ND1 3.92Å; F436-H440 AromaticContact CE2-CE1 3.16Å; F436-H440 WeakPolarHBondContact CE2-CE1 3.49Å; F436-H440 AromaticContact CE2-ND1 3.36Å; F436-H440 WeakPolarHBondContact CE2-ND1 3.46Å; F436-H440 AromaticContact CZ-CE1 3.19Å; F436-H440 WeakPolarHBondContact CZ-CE1 3.47Å; F436-H440 AromaticContact CZ-ND1 3.45Å; F436-H440 WeakPolarHBondContact CZ-ND1 2.9Å; F436-H440 AromaticContact CZ-NE2 3.88Å; F436-H440 PolarHBondContact O-N 3.21Å; F436-H440 PolarHBondContact O-ND1 3.31Å; F436-L454 HydrophobicContact CD2-CD2 4.01Å; F436-L454 HydrophobicContact CE2-CD2 4.17Å; F436-W463 HydrophobicContact CB-CD2 4.11Å; F436-W463 HydrophobicContact CB-CE3 4.49Å; F436-W463 HydrophobicContact CB-CH2 4.02Å; F436-W463 HydrophobicContact CB-CZ2 3.69Å; F436-W463 HydrophobicContact CB-CZ3 4.41Å; F436-W463 HydrophobicContact CD2-CB 4.04Å; F436-W463 AromaticContact CD2-CD2 3.33Å; F436-W463 HydrophobicContact CD2-CD2 3.33Å; F436-W463 AromaticContact CD2-CE2 3.87Å; F436-W463 AromaticContact CD2-CE3 3.27Å; F436-W463 HydrophobicContact CD2-CE3 3.27Å; F436-W463 AromaticContact CD2-CG 3.7Å; F436-W463 HydrophobicContact CD2-CG 3.7Å; F436-W463 HydrophobicContact CD2-CH2 4.14Å; F436-W463 HydrophobicContact CD2-CZ2 4.27Å; F436-W463 AromaticContact CD2-CZ3 3.66Å; F436-W463 HydrophobicContact CD2-CZ3 3.66Å; F436-W463 HydrophobicContact CE2-CB 3.82Å; F436-W463 AromaticContact CE2-CD2 3.98Å; F436-W463 HydrophobicContact CE2-CD2 3.98Å; F436-W463 AromaticContact CE2-CE3 3.83Å; F436-W463 HydrophobicContact CE2-CE3 3.83Å; F436-W463 HydrophobicContact CE2-CG 4.02Å; F436-W463 HydrophobicContact CE2-CZ3 4.49Å; F436-W463 HydrophobicContact CG-CD2 4.02Å; F436-W463 HydrophobicContact CG-CE3 4.29Å; F436-W463 HydrophobicContact CG-CG 4.27Å; F436-W463 HydrophobicContact CG-CZ2 4.46Å
437L66.7Low63.2Low18 Ų1857.5 Ų57.59%0.09433%0.325CS..Hα-helixtrans-61.1-47.8177.9179.459.5000110.6D433 D434 L439 H440 L441 L467 F481D433-L437 WeakPolarHBondContact O-CB 3.37Å; D433-L437 PolarHBondContact O-N 2.98Å; D434-L437 PolarHBondContact O-N 3.01Å; L437-L439 VanDerWaalsContact C-N 3.32Å; L437-L439 PolarHBondContact O-N 2.97Å; L437-H440 PolarHBondContact O-N 3.37Å; L437-L441 HydrophobicContact CD1-CD1 4.04Å; L437-L441 HydrophobicContact CD1-CD2 4.46Å; L437-L441 HydrophobicContact CD1-CG 4.06Å; L437-L441 HydrophobicContact CG-CD1 3.82Å; L437-L441 HydrophobicContact CG-CG 4.3Å; L437-L441 WeakPolarHBondContact O-CB 3.37Å; L437-L441 WeakPolarHBondContact O-CG 3.43Å; L437-L441 PolarHBondContact O-N 3.22Å; L437-L467 HydrophobicContact CD1-CD2 3.84Å; L437-F481 HydrophobicContact CD2-CE1 4.45Å; L437-F481 HydrophobicContact CD2-CE2 3.63Å; L437-F481 HydrophobicContact CD2-CZ 3.46Å; L437-F481 VanDerWaalsContact CD2-CZ 3.46Å; L437-F481 HydrophobicContact CG-CE2 4.3Å; L437-F481 HydrophobicContact CG-CZ 4.4Å
438A69.1Low62.8Low45 Ų4556.4 Ų56.437%0.37233%0.325SS..Hα-helixtrans-57.3-43.4177.400000112.5D434 L435 L441 L442D434-A438 WeakPolarHBondContact O-CB 3.3Å; D434-A438 PolarHBondContact O-N 3.19Å; L435-A438 PolarHBondContact O-N 3.48Å; A438-L441 PolarHBondContact O-N 3.24Å; A438-L442 WeakPolarHBondContact O-CB 3.31Å; A438-L442 VanDerWaalsContact O-CG 3.31Å; A438-L442 WeakPolarHBondContact O-CG 3.38Å; A438-L442 PolarHBondContact O-N 3.18Å
439L68.6Low62.8Low14 Ų1458.6 Ų58.67%0.07334%0.337CS..Hα-helixtrans-67.2-39.5177.9-71.8176.5000113L435 F436 L437 L442 Q443 T450 L453 L454 M457 W463L435-L439 HydrophobicContact CG-CD1 4.42Å; L435-L439 WeakPolarHBondContact O-CB 3.39Å; L435-L439 VanDerWaalsContact O-CG 3.29Å; L435-L439 WeakPolarHBondContact O-CG 3.38Å; L435-L439 PolarHBondContact O-N 2.93Å; F436-L439 PolarHBondContact O-N 2.69Å; L437-L439 VanDerWaalsContact C-N 3.32Å; L437-L439 PolarHBondContact O-N 2.97Å; L439-L442 HydrophobicContact CD2-CD1 4.48Å; L439-L442 PolarHBondContact O-N 2.91Å; L439-Q443 PolarHBondContact O-N 3.36Å; L439-T450 HydrophobicContact CD2-CG2 4.06Å; L439-T450 PolarHBondContact O-OG1 3.45Å; L439-L453 HydrophobicContact CD1-CD2 4.26Å; L439-L453 HydrophobicContact CD1-CG 4.42Å; L439-L453 HydrophobicContact CD2-CD2 3.6Å; L439-L454 HydrophobicContact CB-CD2 3.54Å; L439-L454 HydrophobicContact CB-CG 4.08Å; L439-L454 HydrophobicContact CD1-CD2 4.01Å; L439-L454 HydrophobicContact CG-CD2 4.44Å; L439-M457 HydrophobicContact CD1-CG 4.32Å; L439-W463 HydrophobicContact CD1-CH2 4.02Å; L439-W463 HydrophobicContact CD1-CZ3 4.19Å
440H66.5Low62.9Low29 Ų2953.7 Ų53.713%0.13432%0.316CS..Hα-helixtrans-66.1-42.5174.1-94.371.8000111.6F436 L437 Q443 S444 L454 L467F436-H440 AromaticContact CD2-CE1 4Å; F436-H440 AromaticContact CD2-ND1 3.75Å; F436-H440 AromaticContact CE1-ND1 3.92Å; F436-H440 AromaticContact CE2-CE1 3.16Å; F436-H440 WeakPolarHBondContact CE2-CE1 3.49Å; F436-H440 AromaticContact CE2-ND1 3.36Å; F436-H440 WeakPolarHBondContact CE2-ND1 3.46Å; F436-H440 AromaticContact CZ-CE1 3.19Å; F436-H440 WeakPolarHBondContact CZ-CE1 3.47Å; F436-H440 AromaticContact CZ-ND1 3.45Å; F436-H440 WeakPolarHBondContact CZ-ND1 2.9Å; F436-H440 AromaticContact CZ-NE2 3.88Å; F436-H440 PolarHBondContact O-N 3.21Å; F436-H440 PolarHBondContact O-ND1 3.31Å; L437-H440 PolarHBondContact O-N 3.37Å; H440-Q443 WeakPolarHBondContact O-CB 3.44Å; H440-Q443 PolarHBondContact O-N 2.78Å; H440-S444 WeakPolarHBondContact O-CB 3.33Å; H440-S444 PolarHBondContact O-N 3.16Å; H440-L454 WeakPolarHBondContact ND1-CD2 3.38Å; H440-L467 HydrophobicContact CB-CD2 4.11Å; H440-L467 PolarHBondContact CD2-O 2.89Å; H440-L467 PolarHBondContact NE2-O 2.95Å
441L60.3Low62.9Low30 Ų3055.6 Ų55.616%0.15732%0.315CS..Hα-helixtrans-59.9-48.1175-68.1169.1000110.1L437 A438 Q443 S444 V445 V469 L471 I476 F481L437-L441 HydrophobicContact CD1-CD1 4.04Å; L437-L441 HydrophobicContact CD1-CD2 4.46Å; L437-L441 HydrophobicContact CD1-CG 4.06Å; L437-L441 HydrophobicContact CG-CD1 3.82Å; L437-L441 HydrophobicContact CG-CG 4.3Å; L437-L441 WeakPolarHBondContact O-CB 3.37Å; L437-L441 WeakPolarHBondContact O-CG 3.43Å; L437-L441 PolarHBondContact O-N 3.22Å; A438-L441 PolarHBondContact O-N 3.24Å; L441-Q443 VanDerWaalsContact C-N 3.26Å; L441-Q443 PolarHBondContact O-N 2.99Å; L441-S444 WeakPolarHBondContact O-CA 3.16Å; L441-S444 VanDerWaalsContact O-CB 3.23Å; L441-S444 WeakPolarHBondContact O-CB 3.46Å; L441-S444 PolarHBondContact O-N 3.36Å; L441-S444 VanDerWaalsContact O-N 3.09Å; L441-V445 WeakPolarHBondContact O-CG2 3.13Å; L441-V445 PolarHBondContact O-N 2.95Å; L441-V469 HydrophobicContact CD2-CG1 4.36Å; L441-V469 HydrophobicContact CD2-CG2 4.5Å; L441-L471 HydrophobicContact CB-CD1 4.5Å; L441-L471 HydrophobicContact CD2-CD1 3.3Å; L441-L471 HydrophobicContact CG-CD1 4.47Å; L441-I476 HydrophobicContact CD2-CD1 4.47Å; L441-F481 HydrophobicContact CD1-CE2 3.94Å
442L62.9Low62.8Low70 Ų7057.3 Ų57.337%0.36632%0.323SS..Hα-helixtrans-56.4-38.4177.2-76.9168.1000113.4A438 L439 L447 A448 T450A438-L442 WeakPolarHBondContact O-CB 3.31Å; A438-L442 VanDerWaalsContact O-CG 3.31Å; A438-L442 WeakPolarHBondContact O-CG 3.38Å; A438-L442 PolarHBondContact O-N 3.18Å; L439-L442 HydrophobicContact CD2-CD1 4.48Å; L439-L442 PolarHBondContact O-N 2.91Å; L442-L447 HydrophobicContact CD2-CB 4.1Å; L442-L447 HydrophobicContact CD2-CD1 4.48Å; L442-L447 PolarHBondContact O-N 3.26Å; L442-A448 HydrophobicContact CB-CB 4.39Å; L442-A448 PolarHBondContact O-N 3.1Å; L442-A448 VanDerWaalsContact O-N 3.16Å; L442-T450 HydrophobicContact CB-CG2 3.86Å
443Q60.9Low62.9Low71 Ų7160 Ų6033%0.33234%0.338SS..Hα-helixtrans-67.6-48.3174.4-155.3176.21.900111.6L439 H440 L441 V445 G446 A448 T450L439-Q443 PolarHBondContact O-N 3.36Å; H440-Q443 WeakPolarHBondContact O-CB 3.44Å; H440-Q443 PolarHBondContact O-N 2.78Å; L441-Q443 VanDerWaalsContact C-N 3.26Å; L441-Q443 PolarHBondContact O-N 2.99Å; Q443-V445 PolarHBondContact O-N 2.95Å; Q443-G446 PolarHBondContact O-N 3.49Å; Q443-A448 WeakPolarHBondContact CA-O 3.41Å; Q443-T450 WeakPolarHBondContact CB-OG1 3.43Å
444S52.4Low62.8Low24 Ų2459 Ų5917%0.16833%0.332CS..Hα-helixtrans-57.9-41.1-179.5153.70000114H440 L441 G446 V469 L471H440-S444 WeakPolarHBondContact O-CB 3.33Å; H440-S444 PolarHBondContact O-N 3.16Å; L441-S444 WeakPolarHBondContact O-CA 3.16Å; L441-S444 VanDerWaalsContact O-CB 3.23Å; L441-S444 WeakPolarHBondContact O-CB 3.46Å; L441-S444 PolarHBondContact O-N 3.36Å; L441-S444 VanDerWaalsContact O-N 3.09Å; S444-G446 PolarHBondContact O-N 3.43Å; S444-V469 WeakPolarHBondContact CA-O 3.3Å; S444-V469 WeakPolarHBondContact CB-O 3.26Å; S444-V469 WeakPolarHBondContact OG-CB 3.11Å; S444-V469 PolarHBondContact OG-O 3.37Å; S444-L471 WeakPolarHBondContact OG-CB 3.4Å; S444-L471 WeakPolarHBondContact OG-CD1 3.34Å; S444-L471 VanDerWaalsContact OG-CG 3.26Å; S444-L471 WeakPolarHBondContact OG-CG 3.49Å; S444-L471 PolarHBondContact OG-N 2.98Å
445V53Low62.8Low58 Ų5862 Ų6235%0.35234%0.343SS..THydrogen-bonded Turntrans-82.1-2.8177.4-142.70000112L441 Q443 L447 L471L441-V445 WeakPolarHBondContact O-CG2 3.13Å; L441-V445 PolarHBondContact O-N 2.95Å; Q443-V445 PolarHBondContact O-N 2.95Å; V445-L447 HydrophobicContact CB-CD1 3.9Å; V445-L447 HydrophobicContact CB-CG 3.99Å; V445-L447 HydrophobicContact CG1-CD1 4.24Å; V445-L447 HydrophobicContact CG1-CG 4.43Å; V445-L447 HydrophobicContact CG2-CD1 4.14Å; V445-L447 PolarHBondContact O-N 3Å; V445-L471 HydrophobicContact CB-CB 4.28Å; V445-L471 HydrophobicContact CG1-CB 4.05Å; V445-L471 WeakPolarHBondContact CG1-O 3.47Å; V445-L471 HydrophobicContact CG2-CB 3.99Å; V445-L471 HydrophobicContact CG2-CD1 3.91Å
446G47.6Very low62.4Low66 Ų6664.4 Ų64.468%0.6835%0.35SS*.THydrogen-bonded Turntrans67.618.2-174.600000114Q443 S444Q443-G446 PolarHBondContact O-N 3.49Å; S444-G446 PolarHBondContact O-N 3.43Å
447L44.4Very low62.4Low129 Ų12964.3 Ų64.368%0.67535%0.351SS*.SBendtrans-80.4-27.9-178.2-73.9169.5000112.3L442 V445L442-L447 HydrophobicContact CD2-CB 4.1Å; L442-L447 HydrophobicContact CD2-CD1 4.48Å; L442-L447 PolarHBondContact O-N 3.26Å; V445-L447 HydrophobicContact CB-CD1 3.9Å; V445-L447 HydrophobicContact CB-CG 3.99Å; V445-L447 HydrophobicContact CG1-CD1 4.24Å; V445-L447 HydrophobicContact CG1-CG 4.43Å; V445-L447 HydrophobicContact CG2-CD1 4.14Å; V445-L447 PolarHBondContact O-N 3Å
448A54.3Low62.2Low41 Ų4165 Ų6534%0.33936%0.361SS..  trans-151.8143.2173.600000111.5L442 Q443 T450L442-A448 HydrophobicContact CB-CB 4.39Å; L442-A448 PolarHBondContact O-N 3.1Å; L442-A448 VanDerWaalsContact O-N 3.16Å; Q443-A448 WeakPolarHBondContact CA-O 3.41Å; A448-T450 HydrophobicContact CB-CG2 3.96Å; A448-T450 PolarHBondContact O-N 3.26Å; A448-T450 VanDerWaalsContact O-N 3.14Å
449D66.9Low61.9Low137 Ų13768.7 Ų68.773%0.73338%0.38SS*.  trans-76.995.7164.9-175.9-1.3000108.8E451D449-E451 WeakPolarHBondContact OD1-CB 3.41Å; D449-E451 PolarHBondContact OD1-N 3.49Å
450T67.8Low61.8Low6 Ų672.5 Ų72.54%0.03740%0.404CS..  trans-94.55-179.565.10000112.8L439 L442 Q443 A448 E452 L453 L454L439-T450 HydrophobicContact CD2-CG2 4.06Å; L439-T450 PolarHBondContact O-OG1 3.45Å; L442-T450 HydrophobicContact CB-CG2 3.86Å; Q443-T450 WeakPolarHBondContact CB-OG1 3.43Å; A448-T450 HydrophobicContact CB-CG2 3.96Å; A448-T450 PolarHBondContact O-N 3.26Å; A448-T450 VanDerWaalsContact O-N 3.14Å; T450-E452 PolarHBondContact O-N 3.26Å; T450-L453 CarbonylContact O-C 3.31Å; T450-L453 PolarHBondContact O-N 2.96Å; T450-L454 WeakPolarHBondContact O-CB 3.48Å; T450-L454 WeakPolarHBondContact O-CG 3.43Å; T450-L454 PolarHBondContact O-N 3.42Å; T450-L454 WeakPolarHBondContact OG1-CD1 3.42Å
451E65.7Low61.7Low97 Ų9773.5 Ų73.545%0.45341%0.407SS..Hα-helixtrans-59.8-44.4-170.2-157.8-160.5141.700112.2D449 L453 K455D449-E451 WeakPolarHBondContact OD1-CB 3.41Å; D449-E451 PolarHBondContact OD1-N 3.49Å; E451-L453 VanDerWaalsContact C-N 3.32Å; E451-L453 PolarHBondContact O-N 3.4Å; E451-K455 WeakPolarHBondContact O-CB 3.38Å; E451-K455 PolarHBondContact O-N 3.47Å; E451-K455 IonicContact OE1-NZ 2.8Å; E451-K455 PolarHBondContact OE1-NZ 2.91Å
452E65.9Low61.6Low132 Ų13279.2 Ų79.262%0.61744%0.437SS*.Hα-helixtrans-68-34.1178-159.2-169.9160.200111.9T450 K456T450-E452 PolarHBondContact O-N 3.26Å; E452-K456 WeakPolarHBondContact O-CB 3.41Å; E452-K456 WeakPolarHBondContact O-CG 3.34Å; E452-K456 PolarHBondContact O-N 3.4Å; E452-K456 VanDerWaalsContact OE1-CE 3.27Å; E452-K456 WeakPolarHBondContact OE1-CE 3.44Å; E452-K456 IonicContact OE1-NZ 2.76Å; E452-K456 PolarHBondContact OE1-NZ 3.19Å
453L69.8Low61.6Low87 Ų8777.6 Ų77.646%0.45543%0.426SS..Hα-helixtrans-73.8-42.4178.9-168.267.3000111L439 T450 E451 K455 K456 M457L439-L453 HydrophobicContact CD1-CD2 4.26Å; L439-L453 HydrophobicContact CD1-CG 4.42Å; L439-L453 HydrophobicContact CD2-CD2 3.6Å; T450-L453 CarbonylContact O-C 3.31Å; T450-L453 PolarHBondContact O-N 2.96Å; E451-L453 VanDerWaalsContact C-N 3.32Å; E451-L453 PolarHBondContact O-N 3.4Å; L453-K455 VanDerWaalsContact C-N 3.34Å; L453-K455 PolarHBondContact O-N 2.99Å; L453-K456 PolarHBondContact O-N 3.23Å; L453-M457 HydrophobicContact CG-CG 4.31Å; L453-M457 VanDerWaalsContact O-CB 3.25Å; L453-M457 WeakPolarHBondContact O-CB 3.48Å; L453-M457 WeakPolarHBondContact O-CG 3.32Å; L453-M457 PolarHBondContact O-N 3.48Å
454L66.2Low61Low19 Ų1976.9 Ų76.910%0.09943%0.429CS..Hα-helixtrans-59.9-42.7172.3-76.7169.6000111.1F436 L439 H440 T450 G458 W463F436-L454 HydrophobicContact CD2-CD2 4.01Å; F436-L454 HydrophobicContact CE2-CD2 4.17Å; L439-L454 HydrophobicContact CB-CD2 3.54Å; L439-L454 HydrophobicContact CB-CG 4.08Å; L439-L454 HydrophobicContact CD1-CD2 4.01Å; L439-L454 HydrophobicContact CG-CD2 4.44Å; H440-L454 WeakPolarHBondContact ND1-CD2 3.38Å; T450-L454 WeakPolarHBondContact O-CB 3.48Å; T450-L454 WeakPolarHBondContact O-CG 3.43Å; T450-L454 PolarHBondContact O-N 3.42Å; T450-L454 WeakPolarHBondContact OG1-CD1 3.42Å; L454-G458 WeakPolarHBondContact O-CA 3Å; L454-G458 PolarHBondContact O-N 2.98Å; L454-W463 HydrophobicContact CD2-CE3 4.34Å; L454-W463 HydrophobicContact CD2-CZ3 3.85Å
455K66.1Low60.9Low131 Ų13185.3 Ų85.357%0.5747%0.466SS*.Hα-helixtrans-61.2-47.5172.3-92.1171.8177.5145.90112.3E451 L453 G458 T459E451-K455 WeakPolarHBondContact O-CB 3.38Å; E451-K455 PolarHBondContact O-N 3.47Å; E451-K455 IonicContact OE1-NZ 2.8Å; E451-K455 PolarHBondContact OE1-NZ 2.91Å; L453-K455 VanDerWaalsContact C-N 3.34Å; L453-K455 PolarHBondContact O-N 2.99Å; K455-G458 PolarHBondContact O-N 3.34Å; K455-T459 WeakPolarHBondContact O-CG2 3.38Å; K455-T459 PolarHBondContact O-N 3.33Å; K455-T459 VanDerWaalsContact O-N 3.13Å
456K66.1Low60.7Low113 Ų11391.8 Ų91.849%0.49148%0.484SS..Hα-helixtrans-63.5-45.8178.7-78.4172.9-174.6161.30111.5E452 L453 T459 V460E452-K456 WeakPolarHBondContact O-CB 3.41Å; E452-K456 WeakPolarHBondContact O-CG 3.34Å; E452-K456 PolarHBondContact O-N 3.4Å; E452-K456 VanDerWaalsContact OE1-CE 3.27Å; E452-K456 WeakPolarHBondContact OE1-CE 3.44Å; E452-K456 IonicContact OE1-NZ 2.76Å; E452-K456 PolarHBondContact OE1-NZ 3.19Å; L453-K456 PolarHBondContact O-N 3.23Å; K456-T459 PolarHBondContact O-N 2.91Å; K456-T459 PolarHBondContact O-OG1 3.2Å; K456-V460 PolarHBondContact O-N 2.98Å
457M68.5Low60.8Low34 Ų3490.4 Ų90.417%0.16746%0.461CS..Hα-helixtrans-66.3-39.2177.9-71-71.4-66.600111.5L435 L439 L453 T459 V460 Y461 W463L435-M457 HydrophobicContact CD2-CE 3.29Å; L435-M457 HydrophobicContact CG-CE 4.22Å; L439-M457 HydrophobicContact CD1-CG 4.32Å; L453-M457 HydrophobicContact CG-CG 4.31Å; L453-M457 VanDerWaalsContact O-CB 3.25Å; L453-M457 WeakPolarHBondContact O-CB 3.48Å; L453-M457 WeakPolarHBondContact O-CG 3.32Å; L453-M457 PolarHBondContact O-N 3.48Å; M457-T459 PolarHBondContact O-N 3.47Å; M457-V460 CarbonylContact O-C 3.56Å; M457-V460 WeakPolarHBondContact O-CA 3.24Å; M457-V460 PolarHBondContact O-N 3.48Å; M457-Y461 HydrophobicContact CE-CD2 3.64Å; M457-Y461 HydrophobicContact CE-CE2 3.46Å; M457-Y461 VanDerWaalsContact CE-CE2 3.46Å; M457-Y461 WeakPolarHBondContact O-CD2 3.37Å; M457-Y461 PolarHBondContact O-N 3.47Å; M457-Y461 HydrophobicContact SD-CD2 4.35Å; M457-Y461 HydrophobicContact SD-CE2 4.07Å; M457-W463 HydrophobicContact CB-CE3 3.87Å; M457-W463 HydrophobicContact CB-CH2 3.42Å; M457-W463 VanDerWaalsContact CB-CH2 3.42Å; M457-W463 HydrophobicContact CB-CZ2 4.32Å; M457-W463 HydrophobicContact CB-CZ3 3.13Å; M457-W463 HydrophobicContact CE-CH2 3.59Å; M457-W463 HydrophobicContact CE-CZ2 3.93Å; M457-W463 HydrophobicContact CE-CZ3 4.49Å; M457-W463 HydrophobicContact CG-CH2 4.03Å; M457-W463 HydrophobicContact CG-CZ3 4.08Å
458G62.4Low60.8Low31 Ų3190 Ų9032%0.3246%0.456SS..Hα-helixtrans-64-19.1173.800000114.2L454 K455 Y461L454-G458 WeakPolarHBondContact O-CA 3Å; L454-G458 PolarHBondContact O-N 2.98Å; K455-G458 PolarHBondContact O-N 3.34Å; G458-Y461 CarbonylContact C-O 3.44Å; G458-Y461 VanDerWaalsContact C-O 3.31Å; G458-Y461 VanDerWaalsContact CA-O 3.28Å; G458-Y461 WeakPolarHBondContact CA-O 3.22Å
459T62.9Low60.4Low123 Ų12389.1 Ų89.176%0.75545%0.446SS*.Hα-helixtrans-81.7-20.4168.661.10000113.6K455 K456 M457K455-T459 WeakPolarHBondContact O-CG2 3.38Å; K455-T459 PolarHBondContact O-N 3.33Å; K455-T459 VanDerWaalsContact O-N 3.13Å; K456-T459 PolarHBondContact O-N 2.91Å; K456-T459 PolarHBondContact O-OG1 3.2Å; M457-T459 PolarHBondContact O-N 3.47Å
460V66.2Low59.3Low95 Ų9586.6 Ų86.658%0.57643%0.432SS*.Hα-helixtrans-95.3-34179-178.70000111K456 M457K456-V460 PolarHBondContact O-N 2.98Å; M457-V460 CarbonylContact O-C 3.56Å; M457-V460 WeakPolarHBondContact O-CA 3.24Å; M457-V460 PolarHBondContact O-N 3.48Å
461Y64.7Low58.2Low50 Ų5086.7 Ų86.720%0.19643%0.433CS..SBendtrans-126.7134.2-176.9-55.2-75.2000109.4Q432 M457 G458 W463Q432-Y461 VanDerWaalsContact CD-CE1 3.42Å; Q432-Y461 HydrophobicContact CG-CD1 3.66Å; Q432-Y461 HydrophobicContact CG-CE1 3.66Å; Q432-Y461 HydrophobicContact CG-CG 4.27Å; Q432-Y461 VanDerWaalsContact OE1-CD1 3.3Å; M457-Y461 HydrophobicContact CE-CD2 3.64Å; M457-Y461 HydrophobicContact CE-CE2 3.46Å; M457-Y461 VanDerWaalsContact CE-CE2 3.46Å; M457-Y461 WeakPolarHBondContact O-CD2 3.37Å; M457-Y461 PolarHBondContact O-N 3.47Å; M457-Y461 HydrophobicContact SD-CD2 4.35Å; M457-Y461 HydrophobicContact SD-CE2 4.07Å; G458-Y461 CarbonylContact C-O 3.44Å; G458-Y461 VanDerWaalsContact C-O 3.31Å; G458-Y461 VanDerWaalsContact CA-O 3.28Å; G458-Y461 WeakPolarHBondContact CA-O 3.22Å; Y461-W463 VanDerWaalsContact C-N 3.26Å; Y461-W463 HydrophobicContact CD2-CZ2 4.4Å; Y461-W463 PolarHBondContact O-N 2.85Å
462D59.6Low57Low150 Ų15086.1 Ų86.180%0.80244%0.439SS*.  trans-73.674-175.2-167.613.9000111.9
463W63Low55.8Low35 Ų3587.1 Ų87.113%0.13344%0.444CS..  trans-93.492.8176.2-61.3-20.7000109.1F436 L439 L454 M457 Y461F436-W463 HydrophobicContact CB-CD2 4.11Å; F436-W463 HydrophobicContact CB-CE3 4.49Å; F436-W463 HydrophobicContact CB-CH2 4.02Å; F436-W463 HydrophobicContact CB-CZ2 3.69Å; F436-W463 HydrophobicContact CB-CZ3 4.41Å; F436-W463 HydrophobicContact CD2-CB 4.04Å; F436-W463 AromaticContact CD2-CD2 3.33Å; F436-W463 HydrophobicContact CD2-CD2 3.33Å; F436-W463 AromaticContact CD2-CE2 3.87Å; F436-W463 AromaticContact CD2-CE3 3.27Å; F436-W463 HydrophobicContact CD2-CE3 3.27Å; F436-W463 AromaticContact CD2-CG 3.7Å; F436-W463 HydrophobicContact CD2-CG 3.7Å; F436-W463 HydrophobicContact CD2-CH2 4.14Å; F436-W463 HydrophobicContact CD2-CZ2 4.27Å; F436-W463 AromaticContact CD2-CZ3 3.66Å; F436-W463 HydrophobicContact CD2-CZ3 3.66Å; F436-W463 HydrophobicContact CE2-CB 3.82Å; F436-W463 AromaticContact CE2-CD2 3.98Å; F436-W463 HydrophobicContact CE2-CD2 3.98Å; F436-W463 AromaticContact CE2-CE3 3.83Å; F436-W463 HydrophobicContact CE2-CE3 3.83Å; F436-W463 HydrophobicContact CE2-CG 4.02Å; F436-W463 HydrophobicContact CE2-CZ3 4.49Å; F436-W463 HydrophobicContact CG-CD2 4.02Å; F436-W463 HydrophobicContact CG-CE3 4.29Å; F436-W463 HydrophobicContact CG-CG 4.27Å; F436-W463 HydrophobicContact CG-CZ2 4.46Å; L439-W463 HydrophobicContact CD1-CH2 4.02Å; L439-W463 HydrophobicContact CD1-CZ3 4.19Å; L454-W463 HydrophobicContact CD2-CE3 4.34Å; L454-W463 HydrophobicContact CD2-CZ3 3.85Å; M457-W463 HydrophobicContact CB-CE3 3.87Å; M457-W463 HydrophobicContact CB-CH2 3.42Å; M457-W463 VanDerWaalsContact CB-CH2 3.42Å; M457-W463 HydrophobicContact CB-CZ2 4.32Å; M457-W463 HydrophobicContact CB-CZ3 3.13Å; M457-W463 HydrophobicContact CE-CH2 3.59Å; M457-W463 HydrophobicContact CE-CZ2 3.93Å; M457-W463 HydrophobicContact CE-CZ3 4.49Å; M457-W463 HydrophobicContact CG-CH2 4.03Å; M457-W463 HydrophobicContact CG-CZ3 4.08Å; Y461-W463 VanDerWaalsContact C-N 3.26Å; Y461-W463 HydrophobicContact CD2-CZ2 4.4Å; Y461-W463 PolarHBondContact O-N 2.85Å
464S47.9Very low54.2Low56 Ų5687.6 Ų87.639%0.39245%0.451SS..  trans-75.9152170.939.20000110.3W466S464-W466 PolarHBondContact O-N 3.4Å; S464-W466 PolarHBondContact O-NE1 2.94Å; S464-W466 VanDerWaalsContact OG-CE2 3.29Å; S464-W466 VanDerWaalsContact OG-CZ2 3.32Å; S464-W466 WeakPolarHBondContact OG-CZ2 3.35Å; S464-W466 PolarHBondContact OG-NE1 2.82Å
465E49.3Very low53Low202 Ų20293.8 Ų93.894%0.94448%0.479SS*.SBendtrans-5951.4-158.8-55.9178.4141.300120.8
466W50Low51.8Low193 Ų19390.4 Ų90.473%0.73147%0.467SS*.  trans-103.19.2-156-50.34.9000118.1S464S464-W466 PolarHBondContact O-N 3.4Å; S464-W466 PolarHBondContact O-NE1 2.94Å; S464-W466 VanDerWaalsContact OG-CE2 3.29Å; S464-W466 VanDerWaalsContact OG-CZ2 3.32Å; S464-W466 WeakPolarHBondContact OG-CZ2 3.35Å; S464-W466 PolarHBondContact OG-NE1 2.82Å
467L49.6Very low50.8Low37 Ų3788.9 Ų88.919%0.19447%0.467CS..  trans-148.6128.8-173.6-158.372.8000114.9L437 H440 V469 L488L437-L467 HydrophobicContact CD1-CD2 3.84Å; H440-L467 HydrophobicContact CB-CD2 4.11Å; H440-L467 PolarHBondContact CD2-O 2.89Å; H440-L467 PolarHBondContact NE2-O 2.95Å; L467-V469 HydrophobicContact CD1-CG2 4.13Å; L467-V469 HydrophobicContact CD2-CG2 3.51Å; L467-V469 HydrophobicContact CG-CG2 3.57Å; L467-L488 HydrophobicContact CD1-CD1 3.96Å; L467-L488 HydrophobicContact CD1-CD2 3.63Å; L467-L488 HydrophobicContact CD1-CG 4.42Å
468E44.1Very low49.6Very low122 Ų12292.2 Ų92.257%0.5749%0.494SS*.  trans-129.8110.3163.7-157.8-171.5-15900106.8R495E468-R495 IonicContact OE1-NH2 2.81Å; E468-R495 IonicContact OE2-CZ 2.69Å; E468-R495 IonicContact OE2-NE 3.21Å; E468-R495 PolarHBondContact OE2-NE 3Å; E468-R495 IonicContact OE2-NH2 3.59Å; E468-R495 PolarHBondContact OE2-NH2 2.94Å
469V46.3Very low49Very low21 Ų2198 Ų9813%0.12751%0.512CS..  trans-105.7131.2178.6-163.50000107.2L441 S444 L467 L471L441-V469 HydrophobicContact CD2-CG1 4.36Å; L441-V469 HydrophobicContact CD2-CG2 4.5Å; S444-V469 WeakPolarHBondContact CA-O 3.3Å; S444-V469 WeakPolarHBondContact CB-O 3.26Å; S444-V469 WeakPolarHBondContact OG-CB 3.11Å; S444-V469 PolarHBondContact OG-O 3.37Å; L467-V469 HydrophobicContact CD1-CG2 4.13Å; L467-V469 HydrophobicContact CD2-CG2 3.51Å; L467-V469 HydrophobicContact CG-CG2 3.57Å; V469-L471 HydrophobicContact CB-CG 4.48Å; V469-L471 HydrophobicContact CG1-CD1 3.91Å; V469-L471 HydrophobicContact CG1-CD2 3.85Å; V469-L471 HydrophobicContact CG1-CG 3.56Å
470D43.6Very low48.2Very low84 Ų8493.9 Ų93.945%0.44949%0.487SS..BIsolated β-bridgetrans-106.5110.4168.3-175.4-17.1000107.6S472 L497D470-S472 WeakPolarHBondContact OD1-CB 3.28Å; D470-S472 PolarHBondContact OD1-N 3.42Å; D470-S472 PolarHBondContact OD1-OG 3Å; D470-L497 HydrophobicContact CB-CD2 4.46Å
471L45Very low47.4Very low8 Ų892.2 Ų92.24%0.04247%0.472CS..  trans-116.331.8-176-70.1176.3000112.2L441 S444 V445 V469 Q473 I476 W503L441-L471 HydrophobicContact CB-CD1 4.5Å; L441-L471 HydrophobicContact CD2-CD1 3.3Å; L441-L471 HydrophobicContact CG-CD1 4.47Å; S444-L471 WeakPolarHBondContact OG-CB 3.4Å; S444-L471 WeakPolarHBondContact OG-CD1 3.34Å; S444-L471 VanDerWaalsContact OG-CG 3.26Å; S444-L471 WeakPolarHBondContact OG-CG 3.49Å; S444-L471 PolarHBondContact OG-N 2.98Å; V445-L471 HydrophobicContact CB-CB 4.28Å; V445-L471 HydrophobicContact CG1-CB 4.05Å; V445-L471 WeakPolarHBondContact CG1-O 3.47Å; V445-L471 HydrophobicContact CG2-CB 3.99Å; V445-L471 HydrophobicContact CG2-CD1 3.91Å; V469-L471 HydrophobicContact CB-CG 4.48Å; V469-L471 HydrophobicContact CG1-CD1 3.91Å; V469-L471 HydrophobicContact CG1-CD2 3.85Å; V469-L471 HydrophobicContact CG1-CG 3.56Å; L471-Q473 PolarHBondContact O-N 3.2Å; L471-I476 HydrophobicContact CD1-CD1 3.85Å; L471-I476 HydrophobicContact CD2-CD1 4.15Å; L471-W503 HydrophobicContact CD2-CH2 3.69Å; L471-W503 HydrophobicContact CD2-CZ2 4.36Å; L471-W503 HydrophobicContact CD2-CZ3 4.41Å
472S40.6Very low46.7Very low85 Ų8595 Ų9559%0.59449%0.487SS*.  trans-53.5-18.5-168.441.60000116.1D470D470-S472 WeakPolarHBondContact OD1-CB 3.28Å; D470-S472 PolarHBondContact OD1-N 3.42Å; D470-S472 PolarHBondContact OD1-OG 3Å
473Q39.1Very low46.4Very low153 Ų15394.7 Ų94.772%0.71548%0.479SS*.SBendtrans-151121173-61.9-165.42.100115.2L471L471-Q473 PolarHBondContact O-N 3.2Å
474T37.5Very low45.8Very low97 Ų9794.3 Ų94.360%0.59548%0.479SS*.  trans88.3156155.4620000121.5
475E40.3Very low45.8Very low149 Ų14993.7 Ų93.770%0.69647%0.469SS*.PPolyproline II helixtrans-60127.9-157.3-73.7164.8171.400115.9
476I41.9Very low46Very low60 Ų6090.3 Ų90.331%0.30845%0.453SS..PPolyproline II helixtrans-84.5121.2172.5-56.3176.5000108.3L441 L471 T480 F481 W503L441-I476 HydrophobicContact CD2-CD1 4.47Å; L471-I476 HydrophobicContact CD1-CD1 3.85Å; L471-I476 HydrophobicContact CD2-CD1 4.15Å; I476-T480 HydrophobicContact CG2-CG2 4.48Å; I476-F481 HydrophobicContact CG2-CB 3.87Å; I476-F481 HydrophobicContact CG2-CD2 4.45Å; I476-W503 HydrophobicContact CG1-CZ2 4.38Å
477T44.8Very low46.1Very low82 Ų8282.4 Ų82.450%0.50343%0.429SS..PPolyproline II helixtrans-77.6151.7170.1680000111Q479 T480 F481T477-Q479 VanDerWaalsContact C-N 3.28Å; T477-Q479 PolarHBondContact O-N 2.95Å; T477-T480 CarbonylContact O-C 3.51Å; T477-T480 WeakPolarHBondContact O-CA 3.27Å; T477-T480 VanDerWaalsContact O-CB 3.31Å; T477-T480 WeakPolarHBondContact O-CB 3.4Å; T477-T480 PolarHBondContact O-N 3.39Å; T477-T480 WeakPolarHBondContact OG1-CB 3.26Å; T477-T480 PolarHBondContact OG1-N 3.36Å; T477-T480 PolarHBondContact OG1-OG1 3.27Å; T477-F481 PolarHBondContact O-N 2.79Å
478S42.6Very low46.1Very low104 Ų10482.7 Ų82.773%0.72743%0.431SS*.Hα-helixtrans-58.2-36.8-179.1-41.90000113.3T480 F481 E482S478-T480 VanDerWaalsContact C-N 3.33Å; S478-T480 PolarHBondContact O-N 3Å; S478-F481 WeakPolarHBondContact O-CB 3.26Å; S478-F481 PolarHBondContact O-N 2.99Å; S478-E482 PolarHBondContact O-N 3.48Å
479Q49.7Very low46.4Very low151 Ų15182.5 Ų82.571%0.70643%0.428SS*.Hα-helixtrans-66-36.5173.6-85.3-176.6-6.700112.7T477 K483T477-Q479 VanDerWaalsContact C-N 3.28Å; T477-Q479 PolarHBondContact O-N 2.95Å; Q479-K483 WeakPolarHBondContact O-CG 3.32Å; Q479-K483 PolarHBondContact O-N 2.95Å
480T47Very low46.6Very low38 Ų3886.2 Ų86.223%0.23345%0.447CS..Hα-helixtrans-69.2-41.9177.1-58.60000109.9I476 T477 S478 K483 I484 W503I476-T480 HydrophobicContact CG2-CG2 4.48Å; T477-T480 CarbonylContact O-C 3.51Å; T477-T480 WeakPolarHBondContact O-CA 3.27Å; T477-T480 VanDerWaalsContact O-CB 3.31Å; T477-T480 WeakPolarHBondContact O-CB 3.4Å; T477-T480 PolarHBondContact O-N 3.39Å; T477-T480 WeakPolarHBondContact OG1-CB 3.26Å; T477-T480 PolarHBondContact OG1-N 3.36Å; T477-T480 PolarHBondContact OG1-OG1 3.27Å; S478-T480 VanDerWaalsContact C-N 3.33Å; S478-T480 PolarHBondContact O-N 3Å; T480-K483 PolarHBondContact O-N 3.48Å; T480-I484 HydrophobicContact CG2-CD1 3.81Å; T480-I484 WeakPolarHBondContact O-CB 3.44Å; T480-I484 WeakPolarHBondContact O-CD1 3.41Å; T480-I484 WeakPolarHBondContact O-CG1 3.28Å; T480-I484 PolarHBondContact O-N 3.44Å; T480-W503 HydrophobicContact CG2-CZ2 4.23Å
481F48.4Very low46.9Very low60 Ų6086.1 Ų86.126%0.26344%0.444SS..Hα-helixtrans-57.1-47.5172.3-175.7-97.8000112.1L437 L441 I476 T477 S478 K483 I484 K485L437-F481 HydrophobicContact CD2-CE1 4.45Å; L437-F481 HydrophobicContact CD2-CE2 3.63Å; L437-F481 HydrophobicContact CD2-CZ 3.46Å; L437-F481 VanDerWaalsContact CD2-CZ 3.46Å; L437-F481 HydrophobicContact CG-CE2 4.3Å; L437-F481 HydrophobicContact CG-CZ 4.4Å; L441-F481 HydrophobicContact CD1-CE2 3.94Å; I476-F481 HydrophobicContact CG2-CB 3.87Å; I476-F481 HydrophobicContact CG2-CD2 4.45Å; T477-F481 PolarHBondContact O-N 2.79Å; S478-F481 WeakPolarHBondContact O-CB 3.26Å; S478-F481 PolarHBondContact O-N 2.99Å; F481-K483 PolarHBondContact O-N 3.49Å; F481-I484 PolarHBondContact O-N 2.85Å; F481-K485 HydrophobicContact CE1-CD 4.4Å; F481-K485 VanDerWaalsContact O-CB 3.32Å; F481-K485 WeakPolarHBondContact O-CB 3.43Å; F481-K485 PolarHBondContact O-N 2.94Å
482E51.3Low46.8Very low107 Ų10790.7 Ų90.750%0.548%0.476SS..Hα-helixtrans-64-40.4177.5-76.4-58146.100112.7S478 I484 K485 E486S478-E482 PolarHBondContact O-N 3.48Å; E482-I484 VanDerWaalsContact C-N 3.33Å; E482-I484 PolarHBondContact O-N 2.74Å; E482-K485 WeakPolarHBondContact O-CB 3.17Å; E482-K485 PolarHBondContact O-N 2.84Å; E482-E486 WeakPolarHBondContact O-CB 3.28Å; E482-E486 PolarHBondContact O-N 3.03Å
483K53.4Low47.3Very low145 Ų14588.3 Ų88.363%0.6346%0.459SS*.Hα-helixtrans-64.7-38.1174.8-74177.2-179.3177.70112.5Q479 T480 F481 A487Q479-K483 WeakPolarHBondContact O-CG 3.32Å; Q479-K483 PolarHBondContact O-N 2.95Å; T480-K483 PolarHBondContact O-N 3.48Å; F481-K483 PolarHBondContact O-N 3.49Å; K483-A487 VanDerWaalsContact O-CB 3.22Å; K483-A487 WeakPolarHBondContact O-CB 3.43Å; K483-A487 PolarHBondContact O-N 3.42Å
484I49.4Very low48.1Very low26 Ų2686.4 Ų86.413%0.13345%0.449CS..Hα-helixtrans-66.7-45.7174.8-68.7156.7000109.7T480 F481 E482 E486 A487 L488 W503T480-I484 HydrophobicContact CG2-CD1 3.81Å; T480-I484 WeakPolarHBondContact O-CB 3.44Å; T480-I484 WeakPolarHBondContact O-CD1 3.41Å; T480-I484 WeakPolarHBondContact O-CG1 3.28Å; T480-I484 PolarHBondContact O-N 3.44Å; F481-I484 PolarHBondContact O-N 2.85Å; E482-I484 VanDerWaalsContact C-N 3.33Å; E482-I484 PolarHBondContact O-N 2.74Å; I484-E486 PolarHBondContact O-N 3.44Å; I484-A487 PolarHBondContact O-N 3.32Å; I484-L488 HydrophobicContact CG2-CD1 3.35Å; I484-L488 HydrophobicContact CG2-CG 3.9Å; I484-L488 WeakPolarHBondContact O-CB 3.45Å; I484-L488 WeakPolarHBondContact O-CG 3.47Å; I484-L488 PolarHBondContact O-N 2.82Å; I484-W503 HydrophobicContact CD1-CD2 4.03Å; I484-W503 VanDerWaalsContact CD1-CE2 3.47Å; I484-W503 HydrophobicContact CD1-CE3 4.24Å; I484-W503 HydrophobicContact CD1-CH2 3.31Å; I484-W503 HydrophobicContact CD1-CZ2 3.12Å; I484-W503 HydrophobicContact CD1-CZ3 3.89Å; I484-W503 HydrophobicContact CG1-CD2 4.36Å; I484-W503 HydrophobicContact CG1-CE3 4.44Å; I484-W503 HydrophobicContact CG1-CH2 4.23Å; I484-W503 HydrophobicContact CG1-CZ2 4.24Å; I484-W503 HydrophobicContact CG1-CZ3 4.35Å
485K48.8Very low49.3Very low44 Ų4485 Ų8519%0.19143%0.432CS..Hα-helixtrans-54.4-54.3174.9-164.9176.5-172.9168.40109.5D434 F481 E482 A487 L488 F489D434-K485 WeakPolarHBondContact OD1-CE 3.25Å; D434-K485 IonicContact OD1-NZ 2.7Å; D434-K485 PolarHBondContact OD1-NZ 3.4Å; D434-K485 IonicContact OD2-NZ 2.74Å; F481-K485 HydrophobicContact CE1-CD 4.4Å; F481-K485 VanDerWaalsContact O-CB 3.32Å; F481-K485 WeakPolarHBondContact O-CB 3.43Å; F481-K485 PolarHBondContact O-N 2.94Å; E482-K485 WeakPolarHBondContact O-CB 3.17Å; E482-K485 PolarHBondContact O-N 2.84Å; K485-A487 PolarHBondContact O-N 2.84Å; K485-L488 PolarHBondContact O-N 3.49Å; K485-F489 HydrophobicContact CD-CE2 4.4Å; K485-F489 HydrophobicContact CG-CD2 3.6Å; K485-F489 HydrophobicContact CG-CE2 3.6Å; K485-F489 WeakPolarHBondContact O-CB 3.5Å; K485-F489 VanDerWaalsContact O-CD2 3.25Å; K485-F489 WeakPolarHBondContact O-CD2 3.39Å; K485-F489 PolarHBondContact O-N 2.87Å
486E53.5Low50.2Low131 Ų13178.7 Ų78.761%0.61240%0.404SS*.Hα-helixtrans-62.6-38.1-179.2-158.7177.6-156.500113E482 I484 N490E482-E486 WeakPolarHBondContact O-CB 3.28Å; E482-E486 PolarHBondContact O-N 3.03Å; I484-E486 PolarHBondContact O-N 3.44Å; E486-N490 WeakPolarHBondContact O-CB 3.37Å; E486-N490 PolarHBondContact O-N 3.02Å; E486-N490 PolarHBondContact O-ND2 3.06Å
487A50.3Low51.1Low27 Ų2776.2 Ų76.222%0.22339%0.391CS..Hα-helixtrans-72-39.1176.400000113.1K483 I484 K485 H491K483-A487 VanDerWaalsContact O-CB 3.22Å; K483-A487 WeakPolarHBondContact O-CB 3.43Å; K483-A487 PolarHBondContact O-N 3.42Å; I484-A487 PolarHBondContact O-N 3.32Å; K485-A487 PolarHBondContact O-N 2.84Å; A487-H491 WeakPolarHBondContact O-CB 3.12Å; A487-H491 PolarHBondContact O-N 3.27Å
488L50Low51.5Low43 Ų4373.7 Ų73.723%0.22537%0.373CS..Hα-helixtrans-71.4-42.4179.5-73.8175.6000111.6L467 I484 K485 N490 P493 V496L467-L488 HydrophobicContact CD1-CD1 3.96Å; L467-L488 HydrophobicContact CD1-CD2 3.63Å; L467-L488 HydrophobicContact CD1-CG 4.42Å; I484-L488 HydrophobicContact CG2-CD1 3.35Å; I484-L488 HydrophobicContact CG2-CG 3.9Å; I484-L488 WeakPolarHBondContact O-CB 3.45Å; I484-L488 WeakPolarHBondContact O-CG 3.47Å; I484-L488 PolarHBondContact O-N 2.82Å; K485-L488 PolarHBondContact O-N 3.49Å; L488-N490 VanDerWaalsContact C-N 3.3Å; L488-N490 PolarHBondContact O-N 3.3Å; L488-P493 HydrophobicContact CD2-CG 4.19Å; L488-V496 HydrophobicContact CD2-CG2 4.48Å
489F50.7Low51.9Low117 Ų11772.1 Ų72.151%0.51335%0.353SS..Hα-helixtrans-69.1-26.3-179.7-88.8-81.2000113D433 K485D433-F489 HydrophobicContact CB-CE1 4.46Å; D433-F489 HydrophobicContact CB-CZ 3.93Å; K485-F489 HydrophobicContact CD-CE2 4.4Å; K485-F489 HydrophobicContact CG-CD2 3.6Å; K485-F489 HydrophobicContact CG-CE2 3.6Å; K485-F489 WeakPolarHBondContact O-CB 3.5Å; K485-F489 VanDerWaalsContact O-CD2 3.25Å; K485-F489 WeakPolarHBondContact O-CD2 3.39Å; K485-F489 PolarHBondContact O-N 2.87Å
490N51Low52Low100 Ų10068.8 Ų68.854%0.53533%0.334SS..Hα-helixtrans-105.6-18.9-172.5-71.6-44.2000116.2E486 L488E486-N490 WeakPolarHBondContact O-CB 3.37Å; E486-N490 PolarHBondContact O-N 3.02Å; E486-N490 PolarHBondContact O-ND2 3.06Å; L488-N490 VanDerWaalsContact C-N 3.3Å; L488-N490 PolarHBondContact O-N 3.3Å
491H49.1Very low52.1Low81 Ų8172.5 Ų72.538%0.37535%0.349SS..Hα-helixtrans-129.85.7-159.6-62.3-49.8000118.1A487 P493A487-H491 WeakPolarHBondContact O-CB 3.12Å; A487-H491 PolarHBondContact O-N 3.27Å; H491-P493 WeakPolarHBondContact O-CD 3.4Å
492S44Very low52.1Low104 Ų10470 Ų7073%0.72734%0.338SS*.  trans39.444.6-179.5-57.70000114.7K494S492-K494 PolarHBondContact O-N 3.37Å
493P50.9Low52.6Low35 Ų3566.2 Ų66.223%0.22732%0.32CS..  trans-67.4128.4175.329.2-33.1000109.1L488 H491 R495 V496 L505L488-P493 HydrophobicContact CD2-CG 4.19Å; H491-P493 WeakPolarHBondContact O-CD 3.4Å; P493-R495 VanDerWaalsContact C-N 3.31Å; P493-R495 PolarHBondContact O-N 3.18Å; P493-V496 HydrophobicContact CB-CG2 4.07Å; P493-V496 HydrophobicContact CG-CG2 3.9Å; P493-L505 HydrophobicContact CB-CD1 3.43Å; P493-L505 VanDerWaalsContact CB-CD1 3.43Å
494K55.1Low53.3Low114 Ų11459.6 Ų59.650%0.49629%0.291SS..SBendtrans-66.4-26.5-177.4-74.2-165.1176.9-174.50113.7S492 W515 F536S492-K494 PolarHBondContact O-N 3.37Å; K494-W515 HydrophobicContact CD-CH2 4.5Å; K494-F536 HydrophobicContact CB-CE2 3.7Å; K494-F536 HydrophobicContact CB-CZ 4.43Å; K494-F536 HydrophobicContact CD-CD2 4.11Å; K494-F536 HydrophobicContact CD-CE2 4.05Å
495R62.4Low54.4Low66 Ų6660 Ų6025%0.24929%0.293CS..  trans-156.5132.4170.1-105.3-174.7-179.4179.9-8.2111.4E468 P493 L506 F536E468-R495 IonicContact OE1-NH2 2.81Å; E468-R495 IonicContact OE2-CZ 2.69Å; E468-R495 IonicContact OE2-NE 3.21Å; E468-R495 PolarHBondContact OE2-NE 3Å; E468-R495 IonicContact OE2-NH2 3.59Å; E468-R495 PolarHBondContact OE2-NH2 2.94Å; P493-R495 VanDerWaalsContact C-N 3.31Å; P493-R495 PolarHBondContact O-N 3.18Å; R495-L506 HydrophobicContact CB-CB 4.1Å; R495-L506 HydrophobicContact CB-CD2 4.32Å; R495-L506 PolarHBondContact O-N 2.91Å; R495-L506 VanDerWaalsContact O-N 3.08Å; R495-F536 HydrophobicContact CB-CZ 4.12Å; R495-F536 HydrophobicContact CG-CE1 4.48Å; R495-F536 HydrophobicContact CG-CZ 3.92Å
496V60.8Low55.6Low17 Ų1758 Ų5810%0.10329%0.285CS..EExtended strand (participates in β ladder)trans-115.4130.9167.9173.50000107.3L488 P493 W503 Y504 L505 L520L488-V496 HydrophobicContact CD2-CG2 4.48Å; P493-V496 HydrophobicContact CB-CG2 4.07Å; P493-V496 HydrophobicContact CG-CG2 3.9Å; V496-W503 HydrophobicContact CG1-CE3 3.44Å; V496-W503 VanDerWaalsContact CG1-CE3 3.44Å; V496-W503 HydrophobicContact CG1-CZ3 3.78Å; V496-Y504 WeakPolarHBondContact CA-O 3.25Å; V496-L505 HydrophobicContact CG2-CD1 4.22Å; V496-L520 HydrophobicContact CG1-CD1 3.59Å
497L60Low56.6Low9 Ų953 Ų535%0.04727%0.266CS..EExtended strand (participates in β ladder)trans-122.8142-171.9-61.7148.1000109.1D470 W503 Y504 L506 L517 L541D470-L497 HydrophobicContact CB-CD2 4.46Å; L497-W503 CarbonylContact O-C 3.54Å; L497-W503 WeakPolarHBondContact O-CA 3.38Å; L497-Y504 PolarHBondContact N-O 2.84Å; L497-Y504 PolarHBondContact O-N 2.98Å; L497-L506 HydrophobicContact CD1-CB 3.85Å; L497-L517 HydrophobicContact CD1-CD2 3.25Å; L497-L541 HydrophobicContact CD1-CD1 3.45Å; L497-L541 VanDerWaalsContact CD1-CD1 3.45Å; L497-L541 HydrophobicContact CD2-CD1 4Å; L497-L541 HydrophobicContact CG-CD1 4.39Å
498Y53.1Low57.9Low29 Ų2954.6 Ų54.611%0.11427%0.266CS..EExtended strand (participates in β ladder)trans-115.2122.2171.1-174.5-116.2000109.5Q501 T502 W503Y498-Q501 VanDerWaalsContact CE2-C 3.46Å; Y498-Q501 WeakPolarHBondContact OH-CA 3.06Å; Y498-T502 WeakPolarHBondContact CD2-O 3.29Å; Y498-W503 HydrophobicContact CD2-CB 4.43Å; Y498-W503 AromaticContact CD2-CD1 3.46Å; Y498-W503 VanDerWaalsContact CD2-CD1 3.46Å; Y498-W503 AromaticContact CD2-CD2 3.55Å; Y498-W503 HydrophobicContact CD2-CD2 3.55Å; Y498-W503 AromaticContact CD2-CE2 3.32Å; Y498-W503 HydrophobicContact CD2-CE3 4.29Å; Y498-W503 AromaticContact CD2-CG 3.61Å; Y498-W503 HydrophobicContact CD2-CG 3.61Å; Y498-W503 AromaticContact CD2-CZ2 3.94Å; Y498-W503 HydrophobicContact CD2-CZ2 3.94Å; Y498-W503 AromaticContact CD2-NE1 3.23Å; Y498-W503 AromaticContact CE2-CD1 3.61Å; Y498-W503 HydrophobicContact CE2-CD2 4.41Å; Y498-W503 AromaticContact CE2-CE2 3.91Å; Y498-W503 HydrophobicContact CE2-CG 4.22Å; Y498-W503 AromaticContact CE2-NE1 3.35Å; Y498-W503 HydrophobicContact CG-CD2 4.1Å; Y498-W503 AromaticContact CG-CE2 3.8Å; Y498-W503 HydrophobicContact CG-CE3 4.46Å; Y498-W503 HydrophobicContact CG-CH2 4.42Å; Y498-W503 AromaticContact CG-CZ2 3.95Å; Y498-W503 HydrophobicContact CG-CZ2 3.95Å
499K50.4Low59.3Low71 Ų7154.2 Ų54.231%0.30926%0.263SS..EExtended strand (participates in β ladder)trans-147.7142.2173.6-156.8-179.9-173.9176.10109.8Q501 T502 Y504 F543K499-Q501 VanDerWaalsContact C-N 3.33Å; K499-Q501 PolarHBondContact O-N 3.26Å; K499-T502 PolarHBondContact N-O 3.49Å; K499-T502 PolarHBondContact O-N 3.01Å; K499-Y504 HydrophobicContact CB-CE2 4.4Å; K499-Y504 WeakPolarHBondContact O-CE2 3.3Å; K499-F543 HydrophobicContact CB-CD1 3.62Å; K499-F543 HydrophobicContact CB-CE1 3.32Å; K499-F543 HydrophobicContact CB-CG 4.41Å; K499-F543 HydrophobicContact CB-CZ 3.92Å; K499-F543 HydrophobicContact CD-CB 4.05Å; K499-F543 HydrophobicContact CD-CD1 3.37Å; K499-F543 HydrophobicContact CD-CD2 3.31Å; K499-F543 HydrophobicContact CD-CE1 3.47Å; K499-F543 VanDerWaalsContact CD-CE1 3.47Å; K499-F543 HydrophobicContact CD-CE2 3.41Å; K499-F543 VanDerWaalsContact CD-CE2 3.41Å; K499-F543 HydrophobicContact CD-CG 3.28Å; K499-F543 HydrophobicContact CD-CZ 3.48Å; K499-F543 VanDerWaalsContact CD-CZ 3.48Å; K499-F543 HydrophobicContact CG-CD1 4.1Å; K499-F543 HydrophobicContact CG-CE1 4.04Å; K499-F543 HydrophobicContact CG-CG 4.42Å; K499-F543 HydrophobicContact CG-CZ 4.31Å
500Y51.6Low60.6Low80 Ų8053.4 Ų53.431%0.31426%0.263SS..THydrogen-bonded Turntrans5447.4174.5-50.9-57.5000114.2T502 F543 Q545 T584Y500-T502 PolarHBondContact O-N 2.76Å; Y500-F543 HydrophobicContact CD2-CB 4.4Å; Y500-F543 HydrophobicContact CE2-CB 3.88Å; Y500-F543 HydrophobicContact CE2-CG 4.43Å; Y500-Q545 PolarHBondContact OH-NE2 3.35Å; Y500-Q545 VanDerWaalsContact OH-NE2 3.1Å; Y500-T584 HydrophobicContact CD1-CG2 3.31Å; Y500-T584 HydrophobicContact CD2-CG2 3.42Å; Y500-T584 VanDerWaalsContact CD2-CG2 3.42Å; Y500-T584 HydrophobicContact CE1-CG2 3.9Å; Y500-T584 HydrophobicContact CE2-CG2 3.99Å; Y500-T584 HydrophobicContact CG-CG2 3.03Å
501Q49.2Very low61.9Low117 Ų11753.3 Ų53.355%0.54727%0.271SS..THydrogen-bonded Turntrans60.35.9-176.8-57-169.3-2.500116.5Y498 K499Y498-Q501 VanDerWaalsContact CE2-C 3.46Å; Y498-Q501 WeakPolarHBondContact OH-CA 3.06Å; K499-Q501 VanDerWaalsContact C-N 3.33Å; K499-Q501 PolarHBondContact O-N 3.26Å
502T50Low63.2Low6 Ų654.1 Ų54.14%0.03727%0.273CS..EExtended strand (participates in β ladder)trans-117.8134.9177.7-70.90000110.8Y498 K499 Y500 Y504 P519 E585Y498-T502 WeakPolarHBondContact CD2-O 3.29Å; K499-T502 PolarHBondContact N-O 3.49Å; K499-T502 PolarHBondContact O-N 3.01Å; Y500-T502 PolarHBondContact O-N 2.76Å; T502-Y504 HydrophobicContact CG2-CD2 4.23Å; T502-Y504 HydrophobicContact CG2-CE1 4.18Å; T502-Y504 HydrophobicContact CG2-CE2 3.73Å; T502-Y504 WeakPolarHBondContact O-CD2 3.27Å; T502-Y504 VanDerWaalsContact O-CE2 3.24Å; T502-Y504 WeakPolarHBondContact O-CE2 3.48Å; T502-P519 HydrophobicContact CG2-CB 3.86Å; T502-E585 PolarHBondContact OG1-OE2 3.23Å
503W60Low65Low29 Ų2958.7 Ų58.711%0.1127%0.274CS..EExtended strand (participates in β ladder)trans-81.4136.3169-71.690.1000110.1L471 I476 T480 I484 V496 L497 Y498 P519 L520L471-W503 HydrophobicContact CD2-CH2 3.69Å; L471-W503 HydrophobicContact CD2-CZ2 4.36Å; L471-W503 HydrophobicContact CD2-CZ3 4.41Å; I476-W503 HydrophobicContact CG1-CZ2 4.38Å; T480-W503 HydrophobicContact CG2-CZ2 4.23Å; I484-W503 HydrophobicContact CD1-CD2 4.03Å; I484-W503 VanDerWaalsContact CD1-CE2 3.47Å; I484-W503 HydrophobicContact CD1-CE3 4.24Å; I484-W503 HydrophobicContact CD1-CH2 3.31Å; I484-W503 HydrophobicContact CD1-CZ2 3.12Å; I484-W503 HydrophobicContact CD1-CZ3 3.89Å; I484-W503 HydrophobicContact CG1-CD2 4.36Å; I484-W503 HydrophobicContact CG1-CE3 4.44Å; I484-W503 HydrophobicContact CG1-CH2 4.23Å; I484-W503 HydrophobicContact CG1-CZ2 4.24Å; I484-W503 HydrophobicContact CG1-CZ3 4.35Å; V496-W503 HydrophobicContact CG1-CE3 3.44Å; V496-W503 VanDerWaalsContact CG1-CE3 3.44Å; V496-W503 HydrophobicContact CG1-CZ3 3.78Å; L497-W503 CarbonylContact O-C 3.54Å; L497-W503 WeakPolarHBondContact O-CA 3.38Å; Y498-W503 HydrophobicContact CD2-CB 4.43Å; Y498-W503 AromaticContact CD2-CD1 3.46Å; Y498-W503 VanDerWaalsContact CD2-CD1 3.46Å; Y498-W503 AromaticContact CD2-CD2 3.55Å; Y498-W503 HydrophobicContact CD2-CD2 3.55Å; Y498-W503 AromaticContact CD2-CE2 3.32Å; Y498-W503 HydrophobicContact CD2-CE3 4.29Å; Y498-W503 AromaticContact CD2-CG 3.61Å; Y498-W503 HydrophobicContact CD2-CG 3.61Å; Y498-W503 AromaticContact CD2-CZ2 3.94Å; Y498-W503 HydrophobicContact CD2-CZ2 3.94Å; Y498-W503 AromaticContact CD2-NE1 3.23Å; Y498-W503 AromaticContact CE2-CD1 3.61Å; Y498-W503 HydrophobicContact CE2-CD2 4.41Å; Y498-W503 AromaticContact CE2-CE2 3.91Å; Y498-W503 HydrophobicContact CE2-CG 4.22Å; Y498-W503 AromaticContact CE2-NE1 3.35Å; Y498-W503 HydrophobicContact CG-CD2 4.1Å; Y498-W503 AromaticContact CG-CE2 3.8Å; Y498-W503 HydrophobicContact CG-CE3 4.46Å; Y498-W503 HydrophobicContact CG-CH2 4.42Å; Y498-W503 AromaticContact CG-CZ2 3.95Å; Y498-W503 HydrophobicContact CG-CZ2 3.95Å; W503-P519 CarbonylContact O-C 3.52Å; W503-P519 WeakPolarHBondContact O-CA 3.38Å; W503-L520 HydrophobicContact CB-CB 3.93Å; W503-L520 HydrophobicContact CB-CD1 3.55Å; W503-L520 HydrophobicContact CB-CG 4.36Å; W503-L520 PolarHBondContact O-N 2.84Å
504Y68.6Low66.3Low6 Ų661.4 Ų61.42%0.02428%0.284CS..EExtended strand (participates in β ladder)trans-122.7135.3178-61.4-95.6000109.9V496 L497 K499 T502 L517 F518 P519 F543 P544V496-Y504 WeakPolarHBondContact CA-O 3.25Å; L497-Y504 PolarHBondContact N-O 2.84Å; L497-Y504 PolarHBondContact O-N 2.98Å; K499-Y504 HydrophobicContact CB-CE2 4.4Å; K499-Y504 WeakPolarHBondContact O-CE2 3.3Å; T502-Y504 HydrophobicContact CG2-CD2 4.23Å; T502-Y504 HydrophobicContact CG2-CE1 4.18Å; T502-Y504 HydrophobicContact CG2-CE2 3.73Å; T502-Y504 WeakPolarHBondContact O-CD2 3.27Å; T502-Y504 VanDerWaalsContact O-CE2 3.24Å; T502-Y504 WeakPolarHBondContact O-CE2 3.48Å; Y504-L517 HydrophobicContact CD1-CB 3.92Å; Y504-L517 HydrophobicContact CG-CB 4.42Å; Y504-F518 CarbonylContact C-O 3.35Å; Y504-F518 VanDerWaalsContact CA-O 3.29Å; Y504-F518 WeakPolarHBondContact CA-O 3.25Å; Y504-P519 HydrophobicContact CD1-CB 4.47Å; Y504-P519 HydrophobicContact CD1-CG 4.05Å; Y504-P519 HydrophobicContact CE1-CB 4.43Å; Y504-P519 HydrophobicContact CE1-CG 3.82Å; Y504-F543 HydrophobicContact CD2-CD1 4.13Å; Y504-F543 HydrophobicContact CD2-CE1 4Å; Y504-F543 HydrophobicContact CE2-CD1 4.02Å; Y504-F543 HydrophobicContact CE2-CE1 4.29Å; Y504-P544 HydrophobicContact CE1-CG 4.09Å
505L72.4Confident67.3Low35 Ų3558.2 Ų58.218%0.18327%0.269CS..EExtended strand (participates in β ladder)trans-89.8120.2165175.466.1000108P493 V496 A507 F518 L520 I523P493-L505 HydrophobicContact CB-CD1 3.43Å; P493-L505 VanDerWaalsContact CB-CD1 3.43Å; V496-L505 HydrophobicContact CG2-CD1 4.22Å; L505-A507 HydrophobicContact CD2-CB 4.16Å; L505-A507 HydrophobicContact CG-CB 4.07Å; L505-A507 PolarHBondContact O-N 2.69Å; L505-F518 HydrophobicContact CB-CB 4.48Å; L505-F518 PolarHBondContact N-O 3.01Å; L505-F518 PolarHBondContact O-N 3.41Å; L505-L520 HydrophobicContact CB-CG 4.36Å; L505-I523 HydrophobicContact CB-CD1 4.14Å; L505-I523 HydrophobicContact CD2-CD1 3.66Å
506L74.2Confident67.9Low2 Ų257.8 Ų57.81%0.0127%0.27CS..EExtended strand (participates in β ladder)trans-82.1108.6167.1-177.363.8000108.1R495 L497 W515 E516 L517 F536 P537 L541R495-L506 HydrophobicContact CB-CB 4.1Å; R495-L506 HydrophobicContact CB-CD2 4.32Å; R495-L506 PolarHBondContact O-N 2.91Å; R495-L506 VanDerWaalsContact O-N 3.08Å; L497-L506 HydrophobicContact CD1-CB 3.85Å; L506-W515 HydrophobicContact CD1-CB 4.03Å; L506-W515 HydrophobicContact CD1-CE3 4.24Å; L506-W515 HydrophobicContact CD2-CE3 4.42Å; L506-W515 HydrophobicContact CG-CE3 3.84Å; L506-W515 HydrophobicContact CG-CZ3 4.4Å; L506-E516 WeakPolarHBondContact CA-O 3.39Å; L506-L517 HydrophobicContact CB-CD2 4.09Å; L506-L517 HydrophobicContact CD1-CD2 3.9Å; L506-L517 HydrophobicContact CD1-CG 4.32Å; L506-F536 HydrophobicContact CD2-CZ 4.27Å; L506-P537 HydrophobicContact CD2-CG 4.38Å; L506-L541 HydrophobicContact CD1-CD2 3.46Å; L506-L541 VanDerWaalsContact CD1-CD2 3.46Å; L506-L541 HydrophobicContact CD2-CD1 4.14Å; L506-L541 HydrophobicContact CD2-CD2 3.89Å; L506-L541 HydrophobicContact CG-CD2 4.31Å
507A74.6Confident68.5Low26 Ų2658.1 Ų58.122%0.21527%0.271CS..EExtended strand (participates in β ladder)trans-130.4152-178.500000111.5L505 E509 E516 F518L505-A507 HydrophobicContact CD2-CB 4.16Å; L505-A507 HydrophobicContact CG-CB 4.07Å; L505-A507 PolarHBondContact O-N 2.69Å; A507-E509 PolarHBondContact O-N 2.97Å; A507-E516 PolarHBondContact N-O 2.83Å; A507-E516 PolarHBondContact O-N 2.94Å; A507-F518 HydrophobicContact CB-CD2 3.93Å; A507-F518 HydrophobicContact CB-CE2 3.95Å
508W77.6Confident69.1Low59 Ų5960.4 Ų60.422%0.22328%0.281CS..EExtended strand (participates in β ladder)trans-77.9112.7172.2-174.1-98.6000109.6L510 R513 W515 Y534W508-L510 PolarHBondContact O-N 2.9Å; W508-R513 WeakPolarHBondContact CH2-O 3.4Å; W508-R513 HydrophobicContact CZ2-CB 3.96Å; W508-R513 VanDerWaalsContact CZ2-O 3.23Å; W508-R513 WeakPolarHBondContact CZ2-O 3.46Å; W508-W515 HydrophobicContact CB-CE3 4.33Å; W508-W515 HydrophobicContact CB-CH2 4.38Å; W508-W515 HydrophobicContact CB-CZ3 4.25Å; W508-W515 AromaticContact CE3-CD1 3.52Å; W508-W515 AromaticContact CE3-CD2 3.75Å; W508-W515 HydrophobicContact CE3-CD2 3.75Å; W508-W515 AromaticContact CE3-CE2 3.5Å; W508-W515 AromaticContact CE3-CG 3.75Å; W508-W515 HydrophobicContact CE3-CG 3.75Å; W508-W515 HydrophobicContact CE3-CZ2 4.15Å; W508-W515 AromaticContact CE3-NE1 3.33Å; W508-W515 VanDerWaalsContact CE3-NE1 3.33Å; W508-W515 AromaticContact CZ3-CD1 3.42Å; W508-W515 VanDerWaalsContact CZ3-CD1 3.42Å; W508-W515 HydrophobicContact CZ3-CD2 4.43Å; W508-W515 HydrophobicContact CZ3-CG 4.06Å; W508-W515 AromaticContact CZ3-NE1 3.37Å; W508-Y534 HydrophobicContact CB-CD1 4.17Å; W508-Y534 HydrophobicContact CB-CD2 3.84Å; W508-Y534 HydrophobicContact CB-CE1 4.28Å; W508-Y534 HydrophobicContact CB-CE2 3.99Å; W508-Y534 HydrophobicContact CB-CG 3.92Å; W508-Y534 AromaticContact CD1-CD1 3.3Å; W508-Y534 AromaticContact CD1-CE1 3.36Å; W508-Y534 AromaticContact CD1-CG 3.9Å; W508-Y534 HydrophobicContact CD2-CD1 4.19Å; W508-Y534 HydrophobicContact CD2-CG 4.19Å; W508-Y534 AromaticContact CG-CD1 3.63Å; W508-Y534 HydrophobicContact CG-CD1 3.63Å; W508-Y534 HydrophobicContact CG-CD2 4.16Å; W508-Y534 AromaticContact CG-CE1 3.94Å; W508-Y534 HydrophobicContact CG-CE1 3.94Å; W508-Y534 HydrophobicContact CG-CE2 4.46Å; W508-Y534 AromaticContact CG-CG 3.72Å; W508-Y534 HydrophobicContact CG-CG 3.72Å; W508-Y534 AromaticContact NE1-CD1 3.65Å; W508-Y534 AromaticContact NE1-CE1 4Å
509E79.5Confident69.8Low36 Ų3659.8 Ų59.817%0.16828%0.28CS..EExtended strand (participates in β ladder)trans-80.8110.4178.3-162.2-170.1157.700110.1A507 S511 K512 R513 E514 E516 F518A507-E509 PolarHBondContact O-N 2.97Å; E509-S511 VanDerWaalsContact C-N 3.27Å; E509-S511 WeakPolarHBondContact CG-OG 3.45Å; E509-S511 PolarHBondContact O-N 3.43Å; E509-S511 PolarHBondContact OE1-OG 3.12Å; E509-K512 HydrophobicContact CB-CB 4.49Å; E509-K512 PolarHBondContact O-N 3.26Å; E509-K512 WeakPolarHBondContact OE1-CE 3.4Å; E509-K512 IonicContact OE1-NZ 2.66Å; E509-K512 WeakPolarHBondContact OE2-CD 2.82Å; E509-K512 WeakPolarHBondContact OE2-CE 3.32Å; E509-K512 WeakPolarHBondContact OE2-CG 3.29Å; E509-K512 IonicContact OE2-NZ 2.76Å; E509-K512 PolarHBondContact OE2-NZ 3.45Å; E509-R513 WeakPolarHBondContact O-CA 3.35Å; E509-R513 PolarHBondContact O-N 3.14Å; E509-E514 PolarHBondContact N-O 3.33Å; E509-E516 HydrophobicContact CB-CG 4.49Å; E509-F518 HydrophobicContact CB-CZ 4.05Å; E509-F518 HydrophobicContact CG-CZ 3.99Å
510L77.5Confident70.4Confident99 Ų9959 Ų5952%0.51828%0.279SS..THydrogen-bonded Turntrans-60.9-32.4-174.3-70.5171.3000113.9W508 I532 Y534W508-L510 PolarHBondContact O-N 2.9Å; L510-I532 HydrophobicContact CD1-CD1 4.45Å; L510-I532 HydrophobicContact CD2-CD1 4.03Å; L510-Y534 HydrophobicContact CD2-CE1 4.09Å
511S78.1Confident70.9Confident98 Ų9861.3 Ų61.369%0.68529%0.291SS*.THydrogen-bonded Turntrans-68.4-42.7178.6280000112.4E509E509-S511 VanDerWaalsContact C-N 3.27Å; E509-S511 WeakPolarHBondContact CG-OG 3.45Å; E509-S511 PolarHBondContact O-N 3.43Å; E509-S511 PolarHBondContact OE1-OG 3.12Å
512K78Confident71.7Confident99 Ų9962 Ų6243%0.4329%0.294SS..THydrogen-bonded Turntrans-94.3-19.1-175.8-60.1-172.9-162.4138.90113.4E509 E514 E516E509-K512 HydrophobicContact CB-CB 4.49Å; E509-K512 PolarHBondContact O-N 3.26Å; E509-K512 WeakPolarHBondContact OE1-CE 3.4Å; E509-K512 IonicContact OE1-NZ 2.66Å; E509-K512 WeakPolarHBondContact OE2-CD 2.82Å; E509-K512 WeakPolarHBondContact OE2-CE 3.32Å; E509-K512 WeakPolarHBondContact OE2-CG 3.29Å; E509-K512 IonicContact OE2-NZ 2.76Å; E509-K512 PolarHBondContact OE2-NZ 3.45Å; K512-E514 VanDerWaalsContact C-N 3.27Å; K512-E514 HydrophobicContact CB-CG 3.71Å; K512-E514 WeakPolarHBondContact CB-OE1 3.37Å; K512-E514 WeakPolarHBondContact CD-OE1 3.35Å; K512-E516 IonicContact NZ-OE1 3.96Å; K512-E516 PolarHBondContact NZ-OE1 2.97Å; K512-E516 IonicContact NZ-OE2 3Å; K512-E516 PolarHBondContact NZ-OE2 3.44Å
513R80.1Confident72.4Confident199 Ų19964.6 Ų64.675%0.75131%0.307SS*.THydrogen-bonded Turntrans55.144-173.5-61-178.7168.1-174.4-4.2112W508 E509W508-R513 WeakPolarHBondContact CH2-O 3.4Å; W508-R513 HydrophobicContact CZ2-CB 3.96Å; W508-R513 VanDerWaalsContact CZ2-O 3.23Å; W508-R513 WeakPolarHBondContact CZ2-O 3.46Å; E509-R513 WeakPolarHBondContact O-CA 3.35Å; E509-R513 PolarHBondContact O-N 3.14Å
514E78.8Confident72.5Confident93 Ų9375.1 Ų75.144%0.43535%0.347SS..EExtended strand (participates in β ladder)trans-139.3163.3175.467.9-165.3163.100110.3E509 K512 E516E509-E514 PolarHBondContact N-O 3.33Å; K512-E514 VanDerWaalsContact C-N 3.27Å; K512-E514 HydrophobicContact CB-CG 3.71Å; K512-E514 WeakPolarHBondContact CB-OE1 3.37Å; K512-E514 WeakPolarHBondContact CD-OE1 3.35Å; E514-E516 HydrophobicContact CG-CG 4.28Å
515W77.3Confident72.3Confident46 Ų4679.6 Ų79.617%0.17438%0.379CS..EExtended strand (participates in β ladder)trans-80.3125.1172.4-71.7100.2000109.3K494 L506 W508 P535 F536 P537K494-W515 HydrophobicContact CD-CH2 4.5Å; L506-W515 HydrophobicContact CD1-CB 4.03Å; L506-W515 HydrophobicContact CD1-CE3 4.24Å; L506-W515 HydrophobicContact CD2-CE3 4.42Å; L506-W515 HydrophobicContact CG-CE3 3.84Å; L506-W515 HydrophobicContact CG-CZ3 4.4Å; W508-W515 HydrophobicContact CB-CE3 4.33Å; W508-W515 HydrophobicContact CB-CH2 4.38Å; W508-W515 HydrophobicContact CB-CZ3 4.25Å; W508-W515 AromaticContact CE3-CD1 3.52Å; W508-W515 AromaticContact CE3-CD2 3.75Å; W508-W515 HydrophobicContact CE3-CD2 3.75Å; W508-W515 AromaticContact CE3-CE2 3.5Å; W508-W515 AromaticContact CE3-CG 3.75Å; W508-W515 HydrophobicContact CE3-CG 3.75Å; W508-W515 HydrophobicContact CE3-CZ2 4.15Å; W508-W515 AromaticContact CE3-NE1 3.33Å; W508-W515 VanDerWaalsContact CE3-NE1 3.33Å; W508-W515 AromaticContact CZ3-CD1 3.42Å; W508-W515 VanDerWaalsContact CZ3-CD1 3.42Å; W508-W515 HydrophobicContact CZ3-CD2 4.43Å; W508-W515 HydrophobicContact CZ3-CG 4.06Å; W508-W515 AromaticContact CZ3-NE1 3.37Å; W515-P535 WeakPolarHBondContact CZ2-O 3.41Å; W515-P535 PolarHBondContact NE1-O 3.06Å; W515-F536 AromaticContact CH2-CD2 3.65Å; W515-F536 HydrophobicContact CH2-CD2 3.65Å; W515-F536 AromaticContact CH2-CE2 3.82Å; W515-F536 HydrophobicContact CH2-CE2 3.82Å; W515-F536 AromaticContact CZ2-CD2 3.74Å; W515-F536 HydrophobicContact CZ2-CD2 3.74Å; W515-F536 HydrophobicContact CZ2-CE2 4.32Å; W515-F536 HydrophobicContact CZ2-CG 4.45Å; W515-F536 HydrophobicContact CZ3-CD2 4.4Å; W515-F536 HydrophobicContact CZ3-CE2 4.18Å; W515-P537 HydrophobicContact CB-CG 4.16Å; W515-P537 HydrophobicContact CD2-CG 4.05Å; W515-P537 HydrophobicContact CG-CB 4.29Å; W515-P537 HydrophobicContact CG-CG 3.65Å; W515-P537 VanDerWaalsContact NE1-CD 3.35Å
516E74.5Confident71.7Confident57 Ų5782.1 Ų82.127%0.26640%0.395SS..EExtended strand (participates in β ladder)trans-121.8151.6175.4-82.7-144.7156.700111.8L506 A507 E509 K512 E514 F518L506-E516 WeakPolarHBondContact CA-O 3.39Å; A507-E516 PolarHBondContact N-O 2.83Å; A507-E516 PolarHBondContact O-N 2.94Å; E509-E516 HydrophobicContact CB-CG 4.49Å; K512-E516 IonicContact NZ-OE1 3.96Å; K512-E516 PolarHBondContact NZ-OE1 2.97Å; K512-E516 IonicContact NZ-OE2 3Å; K512-E516 PolarHBondContact NZ-OE2 3.44Å; E514-E516 HydrophobicContact CG-CG 4.28Å; E516-F518 HydrophobicContact CB-CD2 4.29Å; E516-F518 HydrophobicContact CB-CE1 4.4Å; E516-F518 HydrophobicContact CB-CE2 3.52Å; E516-F518 HydrophobicContact CB-CZ 3.57Å; E516-F518 HydrophobicContact CG-CZ 4.46Å
517L73.8Confident71.4Confident24 Ų2487.7 Ų87.713%0.12643%0.429CS..EExtended strand (participates in β ladder)trans-94.9113.8171.1-71.3173.2000109.5L497 Y504 L506 L541 F543L497-L517 HydrophobicContact CD1-CD2 3.25Å; Y504-L517 HydrophobicContact CD1-CB 3.92Å; Y504-L517 HydrophobicContact CG-CB 4.42Å; L506-L517 HydrophobicContact CB-CD2 4.09Å; L506-L517 HydrophobicContact CD1-CD2 3.9Å; L506-L517 HydrophobicContact CD1-CG 4.32Å; L517-L541 HydrophobicContact CD1-CB 4.33Å; L517-L541 HydrophobicContact CD2-CD2 4.46Å; L517-F543 HydrophobicContact CD1-CD1 3.83Å; L517-F543 HydrophobicContact CD1-CD2 4.37Å; L517-F543 HydrophobicContact CD1-CE1 3.96Å; L517-F543 HydrophobicContact CD1-CE2 4.5Å; L517-F543 HydrophobicContact CD1-CG 4.06Å; L517-F543 HydrophobicContact CD1-CZ 4.31Å
518F72.5Confident70.7Confident58 Ų5892.6 Ų92.625%0.25445%0.451SS..EExtended strand (participates in β ladder)trans-102.3117.9175.7-61.4-83.7000109.5Y504 L505 A507 E509 E516 L520Y504-F518 CarbonylContact C-O 3.35Å; Y504-F518 VanDerWaalsContact CA-O 3.29Å; Y504-F518 WeakPolarHBondContact CA-O 3.25Å; L505-F518 HydrophobicContact CB-CB 4.48Å; L505-F518 PolarHBondContact N-O 3.01Å; L505-F518 PolarHBondContact O-N 3.41Å; A507-F518 HydrophobicContact CB-CD2 3.93Å; A507-F518 HydrophobicContact CB-CE2 3.95Å; E509-F518 HydrophobicContact CB-CZ 4.05Å; E509-F518 HydrophobicContact CG-CZ 3.99Å; E516-F518 HydrophobicContact CB-CD2 4.29Å; E516-F518 HydrophobicContact CB-CE1 4.4Å; E516-F518 HydrophobicContact CB-CE2 3.52Å; E516-F518 HydrophobicContact CB-CZ 3.57Å; E516-F518 HydrophobicContact CG-CZ 4.46Å; F518-L520 PolarHBondContact O-N 3.41Å; F518-L520 VanDerWaalsContact O-N 3.1Å
519P68.1Low70.2Confident16 Ų1698.1 Ų98.110%0.10448%0.477CS..EExtended strand (participates in β ladder)trans-54.4121.8170.9-23.933.6000109.5T502 W503 Y504 K521 Q522T502-P519 HydrophobicContact CG2-CB 3.86Å; W503-P519 CarbonylContact O-C 3.52Å; W503-P519 WeakPolarHBondContact O-CA 3.38Å; Y504-P519 HydrophobicContact CD1-CB 4.47Å; Y504-P519 HydrophobicContact CD1-CG 4.05Å; Y504-P519 HydrophobicContact CE1-CB 4.43Å; Y504-P519 HydrophobicContact CE1-CG 3.82Å; P519-K521 HydrophobicContact CB-CG 4.06Å; P519-K521 PolarHBondContact O-N 3.19Å; P519-K521 VanDerWaalsContact O-N 3.11Å; P519-Q522 HydrophobicContact CB-CB 4.43Å; P519-Q522 HydrophobicContact CB-CG 4.01Å; P519-Q522 HydrophobicContact CG-CG 4.34Å; P519-Q522 WeakPolarHBondContact O-CB 3.45Å; P519-Q522 PolarHBondContact O-N 3.03Å
520L62.2Low69.8Low54 Ų54104.7 Ų104.728%0.28351%0.507SS..G310 helixtrans-55.4-34.2-178-98.9140000111.5V496 W503 L505 F518 Q522 I523V496-L520 HydrophobicContact CG1-CD1 3.59Å; W503-L520 HydrophobicContact CB-CB 3.93Å; W503-L520 HydrophobicContact CB-CD1 3.55Å; W503-L520 HydrophobicContact CB-CG 4.36Å; W503-L520 PolarHBondContact O-N 2.84Å; L505-L520 HydrophobicContact CB-CG 4.36Å; F518-L520 PolarHBondContact O-N 3.41Å; F518-L520 VanDerWaalsContact O-N 3.1Å; L520-Q522 PolarHBondContact O-N 3.38Å; L520-I523 HydrophobicContact CD2-CD1 4.47Å; L520-I523 PolarHBondContact O-N 3.24Å; L520-I523 VanDerWaalsContact O-N 3.13Å
521K62.3Low69.2Low129 Ų129106.1 Ų106.156%0.56152%0.523SS*.G310 helixtrans-61.7-20174.265.6176.6177.5-1790114.9P519 E585P519-K521 HydrophobicContact CB-CG 4.06Å; P519-K521 PolarHBondContact O-N 3.19Å; P519-K521 VanDerWaalsContact O-N 3.11Å; K521-E585 IonicContact NZ-OE1 2.63Å; K521-E585 IonicContact NZ-OE2 2.78Å; K521-E585 PolarHBondContact NZ-OE2 2.72Å
522Q66.6Low68.7Low131 Ų131105.5 Ų105.561%0.61251%0.511SS*.G310 helixtrans-89.8-13.6178-67.7179.93.500112.9P519 L520 R524P519-Q522 HydrophobicContact CB-CB 4.43Å; P519-Q522 HydrophobicContact CB-CG 4.01Å; P519-Q522 HydrophobicContact CG-CG 4.34Å; P519-Q522 WeakPolarHBondContact O-CB 3.45Å; P519-Q522 PolarHBondContact O-N 3.03Å; L520-Q522 PolarHBondContact O-N 3.38Å; Q522-R524 PolarHBondContact O-N 3.45Å
523I64.3Low68.2Low61 Ų61107.6 Ų107.631%0.31353%0.527SS..  trans-76.5105.6178.8-57.6177.2000108.7L505 L520 V526L505-I523 HydrophobicContact CB-CD1 4.14Å; L505-I523 HydrophobicContact CD2-CD1 3.66Å; L520-I523 HydrophobicContact CD2-CD1 4.47Å; L520-I523 PolarHBondContact O-N 3.24Å; L520-I523 VanDerWaalsContact O-N 3.13Å; I523-V526 HydrophobicContact CG2-CG2 3.7Å
524R62.4Low67.7Low250 Ų250100.7 Ų100.794%0.94350%0.501SS*.  trans-83.4-29.9-179.3-65.1-173.9178.7-173.2-1.1113.8Q522Q522-R524 PolarHBondContact O-N 3.45Å
525S63.6Low67.1Low100 Ų100101.1 Ų101.170%0.69951%0.512SS*.  trans-157.6154.9179.562.70000110.6
526V60.4Low66.4Low87 Ų87102.8 Ų102.853%0.52752%0.521SS..  trans-126.7133.2178.7179.80000108.4I523I523-V526 HydrophobicContact CG2-CG2 3.7Å
527V67.2Low66Low119 Ų119102 Ų10272%0.72152%0.52SS*.  trans-122.6119.5175.8-179.30000108.6
528L60.8Low65.2Low130 Ų130110.6 Ų110.668%0.68156%0.56SS**  trans-72.8131.5177-66.6170000110.4
529K65.8Low64.4Low175 Ų175116 Ų11676%0.76159%0.586SS**  trans-121.9172.3169.7-69.4-169.6176.1-179.20108.9
530E71.8Confident63.6Low173 Ų173122 Ų12281%0.80862%0.622SS**  trans-57.1143.9174.9-60.9-142.1170.800111.3I532E530-I532 PolarHBondContact O-N 2.85Å
531P65.1Low63.4Low130 Ų130121.3 Ų121.384%0.84462%0.618SS**  trans-61.2133.7-179.222.2-30.5000110.7
532I67.2Low63.2Low85 Ų85122.6 Ų122.644%0.43663%0.63SS.*  trans-117.7137.1174.3-49.7168.3000106.9L510 E530 Y534L510-I532 HydrophobicContact CD1-CD1 4.45Å; L510-I532 HydrophobicContact CD2-CD1 4.03Å; E530-I532 PolarHBondContact O-N 2.85Å; I532-Y534 HydrophobicContact CB-CD1 4.4Å; I532-Y534 HydrophobicContact CB-CE1 3.52Å; I532-Y534 HydrophobicContact CB-CE2 4.39Å; I532-Y534 WeakPolarHBondContact CB-OH 3.25Å; I532-Y534 HydrophobicContact CD1-CE1 4.4Å; I532-Y534 HydrophobicContact CG2-CD1 3.87Å; I532-Y534 HydrophobicContact CG2-CE1 3.28Å; I532-Y534 VanDerWaalsContact O-CE2 3.24Å; I532-Y534 WeakPolarHBondContact O-CE2 3.37Å
533D67.6Low62.8Low143 Ų143117.8 Ų117.877%0.76561%0.607SS**  trans-89.2134.5178.5-158.612.2000110.8
534Y68.9Low62.5Low54 Ų54118.3 Ų118.321%0.21261%0.614CS.*  trans-140.1140.8-179.4-27.6-83.2000109.9W508 L510 I532 F536W508-Y534 HydrophobicContact CB-CD1 4.17Å; W508-Y534 HydrophobicContact CB-CD2 3.84Å; W508-Y534 HydrophobicContact CB-CE1 4.28Å; W508-Y534 HydrophobicContact CB-CE2 3.99Å; W508-Y534 HydrophobicContact CB-CG 3.92Å; W508-Y534 AromaticContact CD1-CD1 3.3Å; W508-Y534 AromaticContact CD1-CE1 3.36Å; W508-Y534 AromaticContact CD1-CG 3.9Å; W508-Y534 HydrophobicContact CD2-CD1 4.19Å; W508-Y534 HydrophobicContact CD2-CG 4.19Å; W508-Y534 AromaticContact CG-CD1 3.63Å; W508-Y534 HydrophobicContact CG-CD1 3.63Å; W508-Y534 HydrophobicContact CG-CD2 4.16Å; W508-Y534 AromaticContact CG-CE1 3.94Å; W508-Y534 HydrophobicContact CG-CE1 3.94Å; W508-Y534 HydrophobicContact CG-CE2 4.46Å; W508-Y534 AromaticContact CG-CG 3.72Å; W508-Y534 HydrophobicContact CG-CG 3.72Å; W508-Y534 AromaticContact NE1-CD1 3.65Å; W508-Y534 AromaticContact NE1-CE1 4Å; L510-Y534 HydrophobicContact CD2-CE1 4.09Å; I532-Y534 HydrophobicContact CB-CD1 4.4Å; I532-Y534 HydrophobicContact CB-CE1 3.52Å; I532-Y534 HydrophobicContact CB-CE2 4.39Å; I532-Y534 WeakPolarHBondContact CB-OH 3.25Å; I532-Y534 HydrophobicContact CD1-CE1 4.4Å; I532-Y534 HydrophobicContact CG2-CD1 3.87Å; I532-Y534 HydrophobicContact CG2-CE1 3.28Å; I532-Y534 VanDerWaalsContact O-CE2 3.24Å; I532-Y534 WeakPolarHBondContact O-CE2 3.37Å; Y534-F536 PolarHBondContact O-N 3.23Å
535P66.9Low62.7Low101 Ų101111.4 Ų111.466%0.65659%0.592SS**PPolyproline II helixtrans-67.5129.7175.128-32.5000110.3W515W515-P535 WeakPolarHBondContact CZ2-O 3.41Å; W515-P535 PolarHBondContact NE1-O 3.06Å
536F63.2Low63.2Low82 Ų82107.6 Ų107.636%0.3656%0.564SS.*PPolyproline II helixtrans-74.6144.7179-144-108.1000110.9K494 R495 L506 W515 Y534K494-F536 HydrophobicContact CB-CE2 3.7Å; K494-F536 HydrophobicContact CB-CZ 4.43Å; K494-F536 HydrophobicContact CD-CD2 4.11Å; K494-F536 HydrophobicContact CD-CE2 4.05Å; R495-F536 HydrophobicContact CB-CZ 4.12Å; R495-F536 HydrophobicContact CG-CE1 4.48Å; R495-F536 HydrophobicContact CG-CZ 3.92Å; L506-F536 HydrophobicContact CD2-CZ 4.27Å; W515-F536 AromaticContact CH2-CD2 3.65Å; W515-F536 HydrophobicContact CH2-CD2 3.65Å; W515-F536 AromaticContact CH2-CE2 3.82Å; W515-F536 HydrophobicContact CH2-CE2 3.82Å; W515-F536 AromaticContact CZ2-CD2 3.74Å; W515-F536 HydrophobicContact CZ2-CD2 3.74Å; W515-F536 HydrophobicContact CZ2-CE2 4.32Å; W515-F536 HydrophobicContact CZ2-CG 4.45Å; W515-F536 HydrophobicContact CZ3-CD2 4.4Å; W515-F536 HydrophobicContact CZ3-CE2 4.18Å; Y534-F536 PolarHBondContact O-N 3.23Å
537P64.6Low64.3Low39 Ų39105.9 Ų105.925%0.25356%0.556SS.*PPolyproline II helixtrans-78.1133.6-179.630.4-23.3000110.1L506 W515L506-P537 HydrophobicContact CD2-CG 4.38Å; W515-P537 HydrophobicContact CB-CG 4.16Å; W515-P537 HydrophobicContact CD2-CG 4.05Å; W515-P537 HydrophobicContact CG-CB 4.29Å; W515-P537 HydrophobicContact CG-CG 3.65Å; W515-P537 VanDerWaalsContact NE1-CD 3.35Å
538E56.9Low65.3Low205 Ų205100.2 Ų100.296%0.95852%0.522SS*.  trans-82-17.1170.6-74.3-174.6170.100112.6
539E56.3Low66.7Low173 Ų17398.2 Ų98.281%0.80851%0.509SS*.SBendtrans-88.5155.1-170.8-76.1-174.9164.500114.9L541E539-L541 PolarHBondContact O-N 3.34Å
540V52.5Low67.9Low142 Ų14289.9 Ų89.986%0.86147%0.473SS*.PPolyproline II helixtrans-57.1122.4178.6-179.90000110.9I542V540-I542 PolarHBondContact O-N 2.89Å
541L57.9Low68.8Low39 Ų3985.4 Ų85.420%0.20445%0.448CS..PPolyproline II helixtrans-65.7125.3177.4-67.6163000111.5L497 L506 L517 E539 F543L497-L541 HydrophobicContact CD1-CD1 3.45Å; L497-L541 VanDerWaalsContact CD1-CD1 3.45Å; L497-L541 HydrophobicContact CD2-CD1 4Å; L497-L541 HydrophobicContact CG-CD1 4.39Å; L506-L541 HydrophobicContact CD1-CD2 3.46Å; L506-L541 VanDerWaalsContact CD1-CD2 3.46Å; L506-L541 HydrophobicContact CD2-CD1 4.14Å; L506-L541 HydrophobicContact CD2-CD2 3.89Å; L506-L541 HydrophobicContact CG-CD2 4.31Å; L517-L541 HydrophobicContact CD1-CB 4.33Å; L517-L541 HydrophobicContact CD2-CD2 4.46Å; E539-L541 PolarHBondContact O-N 3.34Å; L541-F543 HydrophobicContact CB-CD2 4.49Å; L541-F543 HydrophobicContact CB-CE2 3.98Å; L541-F543 WeakPolarHBondContact O-CD2 3.43Å
542I57.4Low69.9Low156 Ų15679.2 Ų79.280%0.841%0.408SS*.PPolyproline II helixtrans-85.2116.8172.3-56.3175.9000107.9V540V540-I542 PolarHBondContact O-N 2.89Å
543F58.6Low70.7Confident30 Ų3076.6 Ų76.613%0.13240%0.397CS..PPolyproline II helixtrans-88.2137.4176.1-70.8-103000109.5K499 Y500 Y504 L517 L541 Q545K499-F543 HydrophobicContact CB-CD1 3.62Å; K499-F543 HydrophobicContact CB-CE1 3.32Å; K499-F543 HydrophobicContact CB-CG 4.41Å; K499-F543 HydrophobicContact CB-CZ 3.92Å; K499-F543 HydrophobicContact CD-CB 4.05Å; K499-F543 HydrophobicContact CD-CD1 3.37Å; K499-F543 HydrophobicContact CD-CD2 3.31Å; K499-F543 HydrophobicContact CD-CE1 3.47Å; K499-F543 VanDerWaalsContact CD-CE1 3.47Å; K499-F543 HydrophobicContact CD-CE2 3.41Å; K499-F543 VanDerWaalsContact CD-CE2 3.41Å; K499-F543 HydrophobicContact CD-CG 3.28Å; K499-F543 HydrophobicContact CD-CZ 3.48Å; K499-F543 VanDerWaalsContact CD-CZ 3.48Å; K499-F543 HydrophobicContact CG-CD1 4.1Å; K499-F543 HydrophobicContact CG-CE1 4.04Å; K499-F543 HydrophobicContact CG-CG 4.42Å; K499-F543 HydrophobicContact CG-CZ 4.31Å; Y500-F543 HydrophobicContact CD2-CB 4.4Å; Y500-F543 HydrophobicContact CE2-CB 3.88Å; Y500-F543 HydrophobicContact CE2-CG 4.43Å; Y504-F543 HydrophobicContact CD2-CD1 4.13Å; Y504-F543 HydrophobicContact CD2-CE1 4Å; Y504-F543 HydrophobicContact CE2-CD1 4.02Å; Y504-F543 HydrophobicContact CE2-CE1 4.29Å; L517-F543 HydrophobicContact CD1-CD1 3.83Å; L517-F543 HydrophobicContact CD1-CD2 4.37Å; L517-F543 HydrophobicContact CD1-CE1 3.96Å; L517-F543 HydrophobicContact CD1-CE2 4.5Å; L517-F543 HydrophobicContact CD1-CG 4.06Å; L517-F543 HydrophobicContact CD1-CZ 4.31Å; L541-F543 HydrophobicContact CB-CD2 4.49Å; L541-F543 HydrophobicContact CB-CE2 3.98Å; L541-F543 WeakPolarHBondContact O-CD2 3.43Å; F543-Q545 PolarHBondContact O-N 3.43Å
544P57.5Low71.3Confident71 Ų7175.9 Ų75.946%0.46139%0.387SS..PPolyproline II helixtrans-61129.2176.422.8-29.7000110Y504Y504-P544 HydrophobicContact CE1-CG 4.09Å
545Q67.3Low71.2Confident106 Ų10677 Ų7750%0.49539%0.391SS..  trans-120.3134170.4-72-168.2-26.900109.3Y500 F543 S547 F583Y500-Q545 PolarHBondContact OH-NE2 3.35Å; Y500-Q545 VanDerWaalsContact OH-NE2 3.1Å; F543-Q545 PolarHBondContact O-N 3.43Å; Q545-S547 PolarHBondContact O-N 2.62Å; Q545-F583 CarbonylContact C-O 3.26Å; Q545-F583 WeakPolarHBondContact CA-O 3.41Å
546L74.4Confident71.4Confident19 Ų1972.6 Ų72.610%0.09936%0.362CS..EExtended strand (participates in β ladder)trans-80.196.4171.8-175.566.7000109.2V548 S582 F583 F586 L589 W607 I608L546-V548 HydrophobicContact CD2-CG2 4.18Å; L546-V548 HydrophobicContact CG-CG2 3.79Å; L546-S582 WeakPolarHBondContact O-CA 3.38Å; L546-F583 WeakPolarHBondContact CA-O 3.39Å; L546-F583 HydrophobicContact CB-CB 4.23Å; L546-F583 WeakPolarHBondContact CB-O 3.37Å; L546-F583 HydrophobicContact CD2-CB 4.39Å; L546-F583 PolarHBondContact N-O 3.49Å; L546-F583 PolarHBondContact O-N 3.43Å; L546-F586 HydrophobicContact CD2-CB 4.37Å; L546-L589 HydrophobicContact CD2-CB 4.09Å; L546-L589 HydrophobicContact CD2-CD2 3.88Å; L546-W607 HydrophobicContact CD1-CH2 3.27Å; L546-W607 HydrophobicContact CD1-CZ2 3.07Å; L546-W607 HydrophobicContact CD1-CZ3 4.48Å; L546-I608 HydrophobicContact CD1-CD1 3.4Å; L546-I608 VanDerWaalsContact CD1-CD1 3.4Å; L546-I608 HydrophobicContact CD1-CG1 3.98Å; L546-I608 HydrophobicContact CD2-CD1 4.06Å; L546-I608 HydrophobicContact CG-CD1 3.77Å
547S83.2Confident71.7Confident52 Ų5269.7 Ų69.736%0.36435%0.353SS..EExtended strand (participates in β ladder)trans-81.8127.8172.5-162.80000110.3Q545 T580 L581 P605Q545-S547 PolarHBondContact O-N 2.62Å; S547-T580 WeakPolarHBondContact OG-CG2 3.44Å; S547-L581 WeakPolarHBondContact CA-O 3.31Å; S547-P605 VanDerWaalsContact O-CD 3.23Å; S547-P605 WeakPolarHBondContact O-CD 3.46Å
548V87.3Confident71.6Confident0 Ų073.1 Ų73.10%036%0.362CS..EExtended strand (participates in β ladder)trans-130.8126.8-174-165.10000109.9L546 L550 T580 L581 F583 L589 I602 I608L546-V548 HydrophobicContact CD2-CG2 4.18Å; L546-V548 HydrophobicContact CG-CG2 3.79Å; V548-L550 HydrophobicContact CG1-CD2 3.63Å; V548-L550 HydrophobicContact CG1-CG 4.03Å; V548-T580 WeakPolarHBondContact O-CA 3.36Å; V548-L581 PolarHBondContact N-O 3.42Å; V548-L581 PolarHBondContact O-N 3.45Å; V548-F583 HydrophobicContact CG2-CD2 3.98Å; V548-F583 HydrophobicContact CG2-CE2 4.48Å; V548-L589 HydrophobicContact CB-CD1 4.18Å; V548-L589 HydrophobicContact CG1-CD1 4.06Å; V548-L589 HydrophobicContact CG1-CD2 4.26Å; V548-L589 HydrophobicContact CG2-CD1 3.9Å; V548-L589 HydrophobicContact CG2-CD2 3.83Å; V548-L589 HydrophobicContact CG2-CG 4.4Å; V548-I602 HydrophobicContact CG1-CG2 4.01Å; V548-I608 HydrophobicContact CB-CD1 4.28Å; V548-I608 HydrophobicContact CG1-CD1 4.09Å; V548-I608 HydrophobicContact CG1-CG2 4.44Å; V548-I608 HydrophobicContact CG2-CD1 3.48Å; V548-I608 VanDerWaalsContact CG2-CD1 3.48Å
549H90.2Very high72Confident87 Ų8765.6 Ų65.640%0.40333%0.326SS..EExtended strand (participates in β ladder)trans-92.4121.5172.3-57.6-66000108.7T580 L603 G604H549-T580 VanDerWaalsContact CE1-CG2 3.47Å; H549-T580 WeakPolarHBondContact CE1-CG2 3.35Å; H549-T580 PolarHBondContact CE1-OG1 2.98Å; H549-T580 VanDerWaalsContact CE1-OG1 3.32Å; H549-T580 WeakPolarHBondContact ND1-CG2 3.36Å; H549-T580 PolarHBondContact ND1-OG1 3.02Å; H549-L603 HydrophobicContact CB-CB 4.05Å; H549-L603 WeakPolarHBondContact O-CA 3.3Å; H549-L603 WeakPolarHBondContact O-CB 3.25Å; H549-L603 PolarHBondContact O-N 2.98Å; H549-G604 PolarHBondContact N-O 3.43Å; H549-G604 PolarHBondContact O-N 2.95Å
550L91.1Very high72.4Confident1 Ų157.5 Ų57.51%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-123.2144-175.7-60.8174.3000109.9V548 F552 D578 A579 L581 F592 L593 V600 E601 I602V548-L550 HydrophobicContact CG1-CD2 3.63Å; V548-L550 HydrophobicContact CG1-CG 4.03Å; L550-F552 HydrophobicContact CB-CD2 4.33Å; L550-F552 HydrophobicContact CB-CE2 3.57Å; L550-F552 HydrophobicContact CB-CZ 3.72Å; L550-F552 HydrophobicContact CD1-CE1 4.39Å; L550-F552 HydrophobicContact CD1-CE2 4.24Å; L550-F552 HydrophobicContact CD1-CZ 3.61Å; L550-F552 HydrophobicContact CG-CZ 4.33Å; L550-D578 CarbonylContact O-C 3.5Å; L550-D578 WeakPolarHBondContact O-CA 3.32Å; L550-A579 PolarHBondContact N-O 2.97Å; L550-A579 PolarHBondContact O-N 2.99Å; L550-L581 HydrophobicContact CD1-CD1 3.58Å; L550-L581 HydrophobicContact CD1-CG 4.08Å; L550-F592 HydrophobicContact CD1-CE1 4.11Å; L550-L593 HydrophobicContact CD1-CD2 3.82Å; L550-L593 HydrophobicContact CD2-CD2 3.8Å; L550-L593 HydrophobicContact CG-CD2 4.47Å; L550-V600 HydrophobicContact CB-CG2 4.04Å; L550-V600 HydrophobicContact CD1-CG2 4.23Å; L550-V600 HydrophobicContact CD2-CG2 4.12Å; L550-V600 HydrophobicContact CG-CG2 4.36Å; L550-E601 CarbonylContact C-O 3.48Å; L550-E601 VanDerWaalsContact CA-O 3.26Å; L550-E601 WeakPolarHBondContact CA-O 3.4Å; L550-I602 HydrophobicContact CD2-CB 4.28Å; L550-I602 HydrophobicContact CD2-CG1 3.82Å; L550-I602 HydrophobicContact CD2-CG2 4.46Å
551R91.3Very high72.7Confident79 Ų7954.3 Ų54.330%0.29826%0.261SS..EExtended strand (participates in β ladder)trans-107.8127.3167173.2166.2-65.5152.62.5109.2N572 D578 V600 E601 L603R551-N572 PolarHBondContact NE-ND2 3.01Å; R551-D578 WeakPolarHBondContact CB-OD1 3.48Å; R551-D578 WeakPolarHBondContact CG-OD1 3.4Å; R551-D578 IonicContact CZ-OD1 3.62Å; R551-D578 IonicContact CZ-OD2 3.85Å; R551-D578 IonicContact NE-OD1 3.67Å; R551-D578 PolarHBondContact NE-OD1 3.3Å; R551-D578 IonicContact NE-OD2 2.82Å; R551-D578 IonicContact NH2-OD1 2.69Å; R551-D578 PolarHBondContact NH2-OD1 3.16Å; R551-D578 IonicContact NH2-OD2 2.79Å; R551-D578 PolarHBondContact NH2-OD2 3.41Å; R551-V600 CarbonylContact O-C 3.58Å; R551-V600 VanDerWaalsContact O-CA 3.31Å; R551-V600 WeakPolarHBondContact O-CA 3.5Å; R551-E601 HydrophobicContact CB-CB 4.23Å; R551-E601 PolarHBondContact N-O 3.47Å; R551-E601 PolarHBondContact O-N 3.08Å; R551-L603 HydrophobicContact CB-CD1 3.94Å; R551-L603 HydrophobicContact CB-CD2 3.86Å; R551-L603 HydrophobicContact CB-CG 3.85Å
552F88.7Confident72.4Confident0 Ų056.7 Ų56.70%029%0.286CS..EExtended strand (participates in β ladder)trans-107.4130.3179.6-63.3-85.5000109.4L550 I556 F564 S576 F577 A579 L581 F592 L596 N599 V600L550-F552 HydrophobicContact CB-CD2 4.33Å; L550-F552 HydrophobicContact CB-CE2 3.57Å; L550-F552 HydrophobicContact CB-CZ 3.72Å; L550-F552 HydrophobicContact CD1-CE1 4.39Å; L550-F552 HydrophobicContact CD1-CE2 4.24Å; L550-F552 HydrophobicContact CD1-CZ 3.61Å; L550-F552 HydrophobicContact CG-CZ 4.33Å; F552-I556 HydrophobicContact CB-CD1 3.68Å; F552-I556 HydrophobicContact CB-CG1 4.04Å; F552-I556 HydrophobicContact CD1-CD1 3.5Å; F552-I556 HydrophobicContact CG-CD1 4.03Å; F552-F564 HydrophobicContact CD1-CE1 4.3Å; F552-F564 AromaticContact CD1-CZ 3.93Å; F552-F564 HydrophobicContact CD1-CZ 3.93Å; F552-F564 AromaticContact CE1-CE1 3.55Å; F552-F564 HydrophobicContact CE1-CE1 3.55Å; F552-F564 AromaticContact CE1-CZ 3.49Å; F552-F564 HydrophobicContact CE1-CZ 3.49Å; F552-F564 VanDerWaalsContact CE1-CZ 3.49Å; F552-F564 AromaticContact CE2-CE1 3.96Å; F552-F564 HydrophobicContact CE2-CE1 3.96Å; F552-F564 HydrophobicContact CE2-CZ 4.49Å; F552-F564 HydrophobicContact CZ-CD1 4.25Å; F552-F564 AromaticContact CZ-CE1 3.35Å; F552-F564 HydrophobicContact CZ-CE1 3.35Å; F552-F564 AromaticContact CZ-CZ 3.82Å; F552-F564 HydrophobicContact CZ-CZ 3.82Å; F552-S576 VanDerWaalsContact O-CA 3.29Å; F552-S576 WeakPolarHBondContact O-CA 3.35Å; F552-S576 WeakPolarHBondContact O-CB 3.37Å; F552-F577 HydrophobicContact CB-CD1 3.77Å; F552-F577 HydrophobicContact CB-CD2 4.2Å; F552-F577 HydrophobicContact CB-CE1 3.31Å; F552-F577 HydrophobicContact CB-CE2 3.81Å; F552-F577 HydrophobicContact CB-CG 4.2Å; F552-F577 HydrophobicContact CB-CZ 3.34Å; F552-F577 HydrophobicContact CD1-CZ 4.3Å; F552-F577 AromaticContact CD2-CD2 3.8Å; F552-F577 HydrophobicContact CD2-CD2 3.8Å; F552-F577 HydrophobicContact CD2-CE1 4.39Å; F552-F577 AromaticContact CD2-CE2 3.26Å; F552-F577 HydrophobicContact CD2-CE2 3.26Å; F552-F577 AromaticContact CD2-CZ 3.61Å; F552-F577 HydrophobicContact CD2-CZ 3.61Å; F552-F577 AromaticContact CE2-CE2 3.97Å; F552-F577 HydrophobicContact CE2-CE2 3.97Å; F552-F577 HydrophobicContact CE2-CZ 4.47Å; F552-F577 HydrophobicContact CG-CD2 4.38Å; F552-F577 HydrophobicContact CG-CE1 4.02Å; F552-F577 AromaticContact CG-CE2 3.69Å; F552-F577 HydrophobicContact CG-CE2 3.69Å; F552-F577 AromaticContact CG-CZ 3.49Å; F552-F577 HydrophobicContact CG-CZ 3.49Å; F552-F577 VanDerWaalsContact CG-CZ 3.49Å; F552-F577 PolarHBondContact N-O 2.86Å; F552-F577 PolarHBondContact O-N 3.2Å; F552-A579 HydrophobicContact CD2-CB 4.35Å; F552-A579 HydrophobicContact CE2-CB 3.82Å; F552-L581 HydrophobicContact CZ-CD1 4.21Å; F552-F592 HydrophobicContact CE1-CE1 4.28Å; F552-F592 HydrophobicContact CZ-CE1 4.27Å; F552-L596 HydrophobicContact CD1-CD1 4.27Å; F552-L596 HydrophobicContact CE1-CD1 3.7Å; F552-N599 CarbonylContact C-O 3.56Å; F552-N599 VanDerWaalsContact CA-O 3.26Å; F552-N599 WeakPolarHBondContact CA-O 3.37Å; F552-V600 HydrophobicContact CD1-CB 4.06Å; F552-V600 HydrophobicContact CD1-CG2 3.78Å; F552-V600 HydrophobicContact CE1-CB 4.16Å; F552-V600 HydrophobicContact CE1-CG2 3.55Å; F552-V600 HydrophobicContact CZ-CG2 4.09Å
553S83.7Confident72.2Confident30 Ų3054.2 Ų54.221%0.2127%0.271CS..  trans-63.6157-177.584.90000111.5R555 I556 N599S553-R555 PolarHBondContact O-N 3.47Å; S553-R555 PolarHBondContact OG-N 3.03Å; S553-I556 VanDerWaalsContact O-CG1 3.28Å; S553-I556 WeakPolarHBondContact O-CG1 3.46Å; S553-I556 PolarHBondContact O-N 2.87Å; S553-I556 VanDerWaalsContact O-N 3.13Å; S553-N599 PolarHBondContact N-O 3.04Å; S553-N599 PolarHBondContact OG-OD1 3.47Å
554K78.6Confident72.5Confident128 Ų12852.8 Ų52.856%0.55727%0.265SS*.G310 helixtrans-56-26175.968.9174.1-173.5166.70113.8I556 A557 S575K554-I556 PolarHBondContact O-N 3.46Å; K554-A557 VanDerWaalsContact O-CB 3.28Å; K554-A557 WeakPolarHBondContact O-CB 3.15Å; K554-A557 PolarHBondContact O-N 2.82Å; K554-S575 WeakPolarHBondContact CA-O 3.2Å; K554-S575 WeakPolarHBondContact CB-O 3.31Å
555R68.2Low72.3Confident77 Ų7752 Ų5229%0.29127%0.265SS..G310 helixtrans-64.6-26.2-179.3-69.3-175.774.9165.3-6.5112.7E32 E35 S553 Y558E32-R555 IonicContact OE1-NH2 2.66Å; E35-R555 IonicContact OE1-CZ 3.49Å; E35-R555 IonicContact OE1-NH1 2.8Å; E35-R555 PolarHBondContact OE1-NH1 3.5Å; E35-R555 IonicContact OE1-NH2 3.55Å; E35-R555 PolarHBondContact OE1-NH2 3.24Å; E35-R555 IonicContact OE2-CZ 3.93Å; E35-R555 IonicContact OE2-NH2 3.53Å; E35-R555 PolarHBondContact OE2-NH2 2.93Å; S553-R555 PolarHBondContact O-N 3.47Å; S553-R555 PolarHBondContact OG-N 3.03Å; R555-Y558 WeakPolarHBondContact O-CD1 3.26Å; R555-Y558 VanDerWaalsContact O-CE1 3.27Å; R555-Y558 WeakPolarHBondContact O-CE1 3.29Å
556I71.5Confident71.8Confident9 Ų954.5 Ų54.55%0.04628%0.281CS..G310 helixtrans-109.38.8178.560.6169000112.8F552 S553 K554 Y558 K559 L596 N599F552-I556 HydrophobicContact CB-CD1 3.68Å; F552-I556 HydrophobicContact CB-CG1 4.04Å; F552-I556 HydrophobicContact CD1-CD1 3.5Å; F552-I556 HydrophobicContact CG-CD1 4.03Å; S553-I556 VanDerWaalsContact O-CG1 3.28Å; S553-I556 WeakPolarHBondContact O-CG1 3.46Å; S553-I556 PolarHBondContact O-N 2.87Å; S553-I556 VanDerWaalsContact O-N 3.13Å; K554-I556 PolarHBondContact O-N 3.46Å; I556-Y558 PolarHBondContact O-N 3.31Å; I556-Y558 VanDerWaalsContact O-N 3.08Å; I556-K559 HydrophobicContact CB-CD 4.14Å; I556-K559 HydrophobicContact CG2-CD 4.27Å; I556-K559 VanDerWaalsContact O-CB 3.32Å; I556-K559 WeakPolarHBondContact O-CB 3.3Å; I556-K559 PolarHBondContact O-N 3.28Å; I556-L596 HydrophobicContact CD1-CD2 4.29Å; I556-N599 HydrophobicContact CB-CB 4.49Å; I556-N599 HydrophobicContact CD1-CB 3.65Å; I556-N599 WeakPolarHBondContact CD1-O 3.26Å; I556-N599 HydrophobicContact CG1-CB 3.96Å; I556-N599 HydrophobicContact CG2-CB 3.74Å
557A69.4Low71.6Confident20 Ų2057.5 Ų57.517%0.16529%0.294CS..G310 helixtrans-56.8-27.1178.700000112.6K554 K559 K560 F577K554-A557 VanDerWaalsContact O-CB 3.28Å; K554-A557 WeakPolarHBondContact O-CB 3.15Å; K554-A557 PolarHBondContact O-N 2.82Å; A557-K559 VanDerWaalsContact C-N 3.3Å; A557-K559 PolarHBondContact O-N 2.81Å; A557-K560 WeakPolarHBondContact O-CB 3.3Å; A557-K560 PolarHBondContact O-N 3.04Å; A557-F577 HydrophobicContact CB-CD1 4.43Å
558Y62.2Low71.1Confident111 Ų11158.8 Ų58.844%0.43531%0.308SS..G310 helixtrans-66.3-29.2174.275.3-92.7000113.1R555 I556 K560R555-Y558 WeakPolarHBondContact O-CD1 3.26Å; R555-Y558 VanDerWaalsContact O-CE1 3.27Å; R555-Y558 WeakPolarHBondContact O-CE1 3.29Å; I556-Y558 PolarHBondContact O-N 3.31Å; I556-Y558 VanDerWaalsContact O-N 3.08Å; Y558-K560 VanDerWaalsContact C-N 3.27Å; Y558-K560 PolarHBondContact O-N 2.99Å
559K65Low70.9Confident48 Ų4862.3 Ų62.321%0.20932%0.321CS..G310 helixtrans-70.2-24.5178.7-67.3-178.4157.5-120.60112.7I556 A557 Y561 A562 E563 F564I556-K559 HydrophobicContact CB-CD 4.14Å; I556-K559 HydrophobicContact CG2-CD 4.27Å; I556-K559 VanDerWaalsContact O-CB 3.32Å; I556-K559 WeakPolarHBondContact O-CB 3.3Å; I556-K559 PolarHBondContact O-N 3.28Å; A557-K559 VanDerWaalsContact C-N 3.3Å; A557-K559 PolarHBondContact O-N 2.81Å; K559-Y561 PolarHBondContact O-N 3.19Å; K559-Y561 VanDerWaalsContact O-N 3.09Å; K559-A562 PolarHBondContact O-N 3.4Å; K559-E563 HydrophobicContact CB-CG 4.45Å; K559-E563 WeakPolarHBondContact CE-OE1 3.4Å; K559-E563 IonicContact NZ-OE1 3.7Å; K559-E563 PolarHBondContact NZ-OE1 3.49Å; K559-E563 IonicContact NZ-OE2 2.9Å; K559-E563 PolarHBondContact NZ-OE2 2.85Å; K559-E563 PolarHBondContact O-N 3.23Å; K559-F564 HydrophobicContact CB-CD2 4.48Å; K559-F564 HydrophobicContact CB-CE2 4.11Å
560K65.7Low70.7Confident2 Ų262.7 Ų62.71%0.00933%0.33CS..Hα-helixtrans-42.8-44.5179.3-176.6-176.2173.3-168.90113.8A557 Y558 F564 A565 W569 D571 F577A557-K560 WeakPolarHBondContact O-CB 3.3Å; A557-K560 PolarHBondContact O-N 3.04Å; Y558-K560 VanDerWaalsContact C-N 3.27Å; Y558-K560 PolarHBondContact O-N 2.99Å; K560-F564 CarbonylContact O-C 3.51Å; K560-F564 WeakPolarHBondContact O-CA 3.33Å; K560-F564 WeakPolarHBondContact O-CB 3.35Å; K560-F564 PolarHBondContact O-N 3.43Å; K560-A565 PolarHBondContact O-N 2.96Å; K560-W569 HydrophobicContact CG-CD2 4.08Å; K560-W569 HydrophobicContact CG-CE3 4.43Å; K560-W569 HydrophobicContact CG-CG 4.43Å; K560-W569 HydrophobicContact CG-CZ2 4.43Å; K560-D571 IonicContact NZ-OD1 3.62Å; K560-D571 PolarHBondContact NZ-OD1 3.36Å; K560-D571 IonicContact NZ-OD2 2.69Å; K560-D571 PolarHBondContact NZ-OD2 3.07Å; K560-F577 HydrophobicContact CB-CE1 4.13Å; K560-F577 HydrophobicContact CB-CZ 4.1Å; K560-F577 HydrophobicContact CD-CD1 4.35Å; K560-F577 HydrophobicContact CD-CG 4.3Å; K560-F577 HydrophobicContact CG-CD2 4.46Å; K560-F577 HydrophobicContact CG-CE2 4.34Å; K560-F577 HydrophobicContact CG-CZ 4.38Å
561Y58.7Low70.5Confident76 Ų7667.1 Ų67.130%0.29835%0.353SS..Hα-helixtrans-86.8-12.1-173.3-57.4-78.6000114.3Y155 P156 K559 W569Y155-Y561 HydrophobicContact CD2-CD2 4.1Å; Y155-Y561 AromaticContact CD2-CE2 3.51Å; Y155-Y561 HydrophobicContact CD2-CE2 3.51Å; Y155-Y561 AromaticContact CE2-CE2 3.59Å; Y155-Y561 HydrophobicContact CE2-CE2 3.59Å; P156-Y561 HydrophobicContact CG-CD1 4.44Å; P156-Y561 HydrophobicContact CG-CE1 3.66Å; K559-Y561 PolarHBondContact O-N 3.19Å; K559-Y561 VanDerWaalsContact O-N 3.09Å; Y561-W569 HydrophobicContact CE1-CZ2 4.36Å
562A50.4Low70.4Confident89 Ų8964.9 Ų64.974%0.73635%0.347SS*.Hα-helixtrans-107.8-45.1179.300000112.1K559K559-A562 PolarHBondContact O-N 3.4Å
563E53.7Low70.1Confident103 Ų10371.7 Ų71.748%0.48139%0.392SS..Hα-helixtrans-97.5-24.1-172.9-64.2-180-161.100112.6K559K559-E563 HydrophobicContact CB-CG 4.45Å; K559-E563 WeakPolarHBondContact CE-OE1 3.4Å; K559-E563 IonicContact NZ-OE1 3.7Å; K559-E563 PolarHBondContact NZ-OE1 3.49Å; K559-E563 IonicContact NZ-OE2 2.9Å; K559-E563 PolarHBondContact NZ-OE2 2.85Å; K559-E563 PolarHBondContact O-N 3.23Å
564F63.9Low70Confident1 Ų175.1 Ų75.10%0.00441%0.407CS..SBendtrans-114.66.2-174.3-57.2-91.2000114.3F552 K559 K560 D566 F567 W569 F577 L581 F592F552-F564 HydrophobicContact CD1-CE1 4.3Å; F552-F564 AromaticContact CD1-CZ 3.93Å; F552-F564 HydrophobicContact CD1-CZ 3.93Å; F552-F564 AromaticContact CE1-CE1 3.55Å; F552-F564 HydrophobicContact CE1-CE1 3.55Å; F552-F564 AromaticContact CE1-CZ 3.49Å; F552-F564 HydrophobicContact CE1-CZ 3.49Å; F552-F564 VanDerWaalsContact CE1-CZ 3.49Å; F552-F564 AromaticContact CE2-CE1 3.96Å; F552-F564 HydrophobicContact CE2-CE1 3.96Å; F552-F564 HydrophobicContact CE2-CZ 4.49Å; F552-F564 HydrophobicContact CZ-CD1 4.25Å; F552-F564 AromaticContact CZ-CE1 3.35Å; F552-F564 HydrophobicContact CZ-CE1 3.35Å; F552-F564 AromaticContact CZ-CZ 3.82Å; F552-F564 HydrophobicContact CZ-CZ 3.82Å; K559-F564 HydrophobicContact CB-CD2 4.48Å; K559-F564 HydrophobicContact CB-CE2 4.11Å; K560-F564 CarbonylContact O-C 3.51Å; K560-F564 WeakPolarHBondContact O-CA 3.33Å; K560-F564 WeakPolarHBondContact O-CB 3.35Å; K560-F564 PolarHBondContact O-N 3.43Å; F564-D566 PolarHBondContact O-N 2.88Å; F564-F567 HydrophobicContact CB-CD2 4.39Å; F564-F567 HydrophobicContact CD1-CD2 4.45Å; F564-F567 PolarHBondContact O-N 2.88Å; F564-W569 WeakPolarHBondContact O-CZ3 3.46Å; F564-F577 HydrophobicContact CD2-CZ 4.12Å; F564-F577 HydrophobicContact CE2-CZ 4.15Å; F564-F577 HydrophobicContact CG-CE2 4.44Å; F564-F577 HydrophobicContact CG-CZ 4.48Å; F564-L581 HydrophobicContact CD1-CD2 4.44Å; F564-L581 HydrophobicContact CE1-CD1 4.38Å; F564-F592 HydrophobicContact CE1-CE1 4.4Å; F564-F592 AromaticContact CE1-CZ 3.62Å; F564-F592 HydrophobicContact CE1-CZ 3.62Å; F564-F592 HydrophobicContact CZ-CZ 4.01Å
565A53.2Low69.9Low55 Ų5572.2 Ų72.246%0.45540%0.403SS..THydrogen-bonded Turntrans-54.6-26.8-171.200000114.3K560K560-A565 PolarHBondContact O-N 2.96Å
566D58.6Low70.7Confident158 Ų15868.8 Ų68.885%0.84539%0.391SS*.THydrogen-bonded Turntrans-85.9-4.3-179.5-63-32.5000114.1F564F564-D566 PolarHBondContact O-N 2.88Å
567F68.9Low71.5Confident81 Ų8168.3 Ų68.336%0.35539%0.389SS..SBendtrans-109152.8-177.1-56.6-78.5000112F564 W569 L581F564-F567 HydrophobicContact CB-CD2 4.39Å; F564-F567 HydrophobicContact CD1-CD2 4.45Å; F564-F567 PolarHBondContact O-N 2.88Å; F567-W569 WeakPolarHBondContact O-CZ3 3.34Å; F567-L581 HydrophobicContact CB-CD2 3.67Å; F567-L581 HydrophobicContact CD1-CD2 3.28Å; F567-L581 HydrophobicContact CD2-CD2 3.5Å; F567-L581 HydrophobicContact CE1-CD2 3.69Å; F567-L581 HydrophobicContact CE2-CD2 3.9Å; F567-L581 HydrophobicContact CG-CD2 3.17Å; F567-L581 HydrophobicContact CZ-CD2 3.98Å
568A72.6Confident72.6Confident80 Ų8069 Ų6966%0.66139%0.389SS*.  trans-80.2130.1170.300000110.1A579 T580A568-A579 WeakPolarHBondContact O-CA 3.4Å; A568-T580 PolarHBondContact O-N 3.46Å
569W83.4Confident73.9Confident74 Ų7463.9 Ų63.928%0.2837%0.37SS..EExtended strand (participates in β ladder)trans-131.1163.5175.462.770.3000112K560 Y561 F564 F567 F577 D578 A579K560-W569 HydrophobicContact CG-CD2 4.08Å; K560-W569 HydrophobicContact CG-CE3 4.43Å; K560-W569 HydrophobicContact CG-CG 4.43Å; K560-W569 HydrophobicContact CG-CZ2 4.43Å; Y561-W569 HydrophobicContact CE1-CZ2 4.36Å; F564-W569 WeakPolarHBondContact O-CZ3 3.46Å; F567-W569 WeakPolarHBondContact O-CZ3 3.34Å; W569-F577 HydrophobicContact CB-CD2 3.99Å; W569-D578 CarbonylContact C-O 3.44Å; W569-D578 WeakPolarHBondContact CA-O 3.47Å; W569-D578 WeakPolarHBondContact CB-O 3.19Å; W569-A579 HydrophobicContact CB-CB 3.94Å
570T86.9Confident75Confident95 Ų9564.1 Ų64.158%0.58338%0.376SS*.EExtended strand (participates in β ladder)trans-130.7127.7173.6-550000109.2F577 D578T570-F577 CarbonylContact O-C 3.6Å; T570-F577 WeakPolarHBondContact O-CA 3.23Å; T570-D578 PolarHBondContact N-O 3.23Å; T570-D578 PolarHBondContact O-N 2.93Å
571D85.6Confident75.9Confident94 Ų9464.1 Ų64.150%0.50338%0.376SS..EExtended strand (participates in β ladder)trans-75.9137.3175.5-68-63.8000111.1K560K560-D571 IonicContact NZ-OD1 3.62Å; K560-D571 PolarHBondContact NZ-OD1 3.36Å; K560-D571 IonicContact NZ-OD2 2.69Å; K560-D571 PolarHBondContact NZ-OD2 3.07Å
572N88.6Confident76.8Confident32 Ų3263.3 Ų63.317%0.17138%0.381CS..  trans-96.6159175.4-62.8-45.1000111.2R551 D574 S575 S576 D578R551-N572 PolarHBondContact NE-ND2 3.01Å; N572-D574 VanDerWaalsContact CB-OD1 3.29Å; N572-D574 WeakPolarHBondContact CB-OD1 3.4Å; N572-D574 PolarHBondContact O-N 2.98Å; N572-D574 VanDerWaalsContact O-N 3.13Å; N572-S575 PolarHBondContact O-N 2.65Å; N572-S575 VanDerWaalsContact O-N 3.15Å; N572-S576 WeakPolarHBondContact CB-O 3.41Å; N572-S576 WeakPolarHBondContact CB-OG 3.37Å; N572-S576 PolarHBondContact N-O 3.41Å; N572-S576 PolarHBondContact ND2-OG 3.3Å; N572-D578 PolarHBondContact ND2-OD1 3.39Å
573P83.1Confident77.8Confident143 Ų14360.3 Ų60.393%0.92935%0.352SS*.THydrogen-bonded Turntrans-61.1-19.7-179.7-25.635.4000115.9S575P573-S575 VanDerWaalsContact C-N 3.34Å
574D81.2Confident78.3Confident101 Ų10157 Ų5754%0.5434%0.338SS..THydrogen-bonded Turntrans-93.712.3179.967-9.2000113.4N572 S576N572-D574 VanDerWaalsContact CB-OD1 3.29Å; N572-D574 WeakPolarHBondContact CB-OD1 3.4Å; N572-D574 PolarHBondContact O-N 2.98Å; N572-D574 VanDerWaalsContact O-N 3.13Å; D574-S576 PolarHBondContact O-N 2.99Å; D574-S576 VanDerWaalsContact OD1-CB 3.26Å; D574-S576 WeakPolarHBondContact OD1-CB 3.4Å; D574-S576 PolarHBondContact OD1-N 3.45Å; D574-S576 PolarHBondContact OD1-OG 3.06Å; D574-S576 PolarHBondContact OD2-OG 3.23Å
575S76.8Confident78.5Confident68 Ų6858.5 Ų58.548%0.47635%0.345SS..SBendtrans67.38.3-175.4-52.40000115.3K554 N572 P573K554-S575 WeakPolarHBondContact CA-O 3.2Å; K554-S575 WeakPolarHBondContact CB-O 3.31Å; N572-S575 PolarHBondContact O-N 2.65Å; N572-S575 VanDerWaalsContact O-N 3.15Å; P573-S575 VanDerWaalsContact C-N 3.34Å
576S86.3Confident79.3Confident4 Ų456.4 Ų56.43%0.02833%0.326CS..  trans-73.6167.216171.40000110.4F552 N572 D574F552-S576 VanDerWaalsContact O-CA 3.29Å; F552-S576 WeakPolarHBondContact O-CA 3.35Å; F552-S576 WeakPolarHBondContact O-CB 3.37Å; N572-S576 WeakPolarHBondContact CB-O 3.41Å; N572-S576 WeakPolarHBondContact CB-OG 3.37Å; N572-S576 PolarHBondContact N-O 3.41Å; N572-S576 PolarHBondContact ND2-OG 3.3Å; D574-S576 PolarHBondContact O-N 2.99Å; D574-S576 VanDerWaalsContact OD1-CB 3.26Å; D574-S576 WeakPolarHBondContact OD1-CB 3.4Å; D574-S576 PolarHBondContact OD1-N 3.45Å; D574-S576 PolarHBondContact OD1-OG 3.06Å; D574-S576 PolarHBondContact OD2-OG 3.23Å
577F87.8Confident79.6Confident0 Ų051.2 Ų51.20%030%0.298CS..EExtended strand (participates in β ladder)trans-138142.6173.870.5-86.1000111.9F552 A557 K560 F564 W569 T570 A579F552-F577 HydrophobicContact CB-CD1 3.77Å; F552-F577 HydrophobicContact CB-CD2 4.2Å; F552-F577 HydrophobicContact CB-CE1 3.31Å; F552-F577 HydrophobicContact CB-CE2 3.81Å; F552-F577 HydrophobicContact CB-CG 4.2Å; F552-F577 HydrophobicContact CB-CZ 3.34Å; F552-F577 HydrophobicContact CD1-CZ 4.3Å; F552-F577 AromaticContact CD2-CD2 3.8Å; F552-F577 HydrophobicContact CD2-CD2 3.8Å; F552-F577 HydrophobicContact CD2-CE1 4.39Å; F552-F577 AromaticContact CD2-CE2 3.26Å; F552-F577 HydrophobicContact CD2-CE2 3.26Å; F552-F577 AromaticContact CD2-CZ 3.61Å; F552-F577 HydrophobicContact CD2-CZ 3.61Å; F552-F577 AromaticContact CE2-CE2 3.97Å; F552-F577 HydrophobicContact CE2-CE2 3.97Å; F552-F577 HydrophobicContact CE2-CZ 4.47Å; F552-F577 HydrophobicContact CG-CD2 4.38Å; F552-F577 HydrophobicContact CG-CE1 4.02Å; F552-F577 AromaticContact CG-CE2 3.69Å; F552-F577 HydrophobicContact CG-CE2 3.69Å; F552-F577 AromaticContact CG-CZ 3.49Å; F552-F577 HydrophobicContact CG-CZ 3.49Å; F552-F577 VanDerWaalsContact CG-CZ 3.49Å; F552-F577 PolarHBondContact N-O 2.86Å; F552-F577 PolarHBondContact O-N 3.2Å; A557-F577 HydrophobicContact CB-CD1 4.43Å; K560-F577 HydrophobicContact CB-CE1 4.13Å; K560-F577 HydrophobicContact CB-CZ 4.1Å; K560-F577 HydrophobicContact CD-CD1 4.35Å; K560-F577 HydrophobicContact CD-CG 4.3Å; K560-F577 HydrophobicContact CG-CD2 4.46Å; K560-F577 HydrophobicContact CG-CE2 4.34Å; K560-F577 HydrophobicContact CG-CZ 4.38Å; F564-F577 HydrophobicContact CD2-CZ 4.12Å; F564-F577 HydrophobicContact CE2-CZ 4.15Å; F564-F577 HydrophobicContact CG-CE2 4.44Å; F564-F577 HydrophobicContact CG-CZ 4.48Å; W569-F577 HydrophobicContact CB-CD2 3.99Å; T570-F577 CarbonylContact O-C 3.6Å; T570-F577 WeakPolarHBondContact O-CA 3.23Å; F577-A579 HydrophobicContact CD2-CB 4.45Å; F577-A579 HydrophobicContact CE2-CB 4.4Å
578D91.8Very high79.3Confident34 Ų3448.9 Ų48.918%0.18229%0.289CS..EExtended strand (participates in β ladder)trans-99.5131.5176.8-64.9-4.3000109L550 R551 W569 T570 N572 L603L550-D578 CarbonylContact O-C 3.5Å; L550-D578 WeakPolarHBondContact O-CA 3.32Å; R551-D578 WeakPolarHBondContact CB-OD1 3.48Å; R551-D578 WeakPolarHBondContact CG-OD1 3.4Å; R551-D578 IonicContact CZ-OD1 3.62Å; R551-D578 IonicContact CZ-OD2 3.85Å; R551-D578 IonicContact NE-OD1 3.67Å; R551-D578 PolarHBondContact NE-OD1 3.3Å; R551-D578 IonicContact NE-OD2 2.82Å; R551-D578 IonicContact NH2-OD1 2.69Å; R551-D578 PolarHBondContact NH2-OD1 3.16Å; R551-D578 IonicContact NH2-OD2 2.79Å; R551-D578 PolarHBondContact NH2-OD2 3.41Å; W569-D578 CarbonylContact C-O 3.44Å; W569-D578 WeakPolarHBondContact CA-O 3.47Å; W569-D578 WeakPolarHBondContact CB-O 3.19Å; T570-D578 PolarHBondContact N-O 3.23Å; T570-D578 PolarHBondContact O-N 2.93Å; N572-D578 PolarHBondContact ND2-OD1 3.39Å; D578-L603 HydrophobicContact CB-CD1 4.09Å; D578-L603 VanDerWaalsContact CG-CD1 3.46Å; D578-L603 WeakPolarHBondContact OD2-CD1 3.31Å
579A88.8Confident79.6Confident3 Ų345.1 Ų45.13%0.02526%0.258CS..EExtended strand (participates in β ladder)trans-131.4151.4174.700000111.9L550 F552 A568 W569 F577 L581L550-A579 PolarHBondContact N-O 2.97Å; L550-A579 PolarHBondContact O-N 2.99Å; F552-A579 HydrophobicContact CD2-CB 4.35Å; F552-A579 HydrophobicContact CE2-CB 3.82Å; A568-A579 WeakPolarHBondContact O-CA 3.4Å; W569-A579 HydrophobicContact CB-CB 3.94Å; F577-A579 HydrophobicContact CD2-CB 4.45Å; F577-A579 HydrophobicContact CE2-CB 4.4Å; A579-L581 HydrophobicContact CB-CD2 4.47Å
580T88.5Confident79Confident54 Ų5443.2 Ų43.233%0.33125%0.251SS..EExtended strand (participates in β ladder)trans-107.2115.2173.3-52.20000109.5S547 V548 H549 A568S547-T580 WeakPolarHBondContact OG-CG2 3.44Å; V548-T580 WeakPolarHBondContact O-CA 3.36Å; H549-T580 VanDerWaalsContact CE1-CG2 3.47Å; H549-T580 WeakPolarHBondContact CE1-CG2 3.35Å; H549-T580 PolarHBondContact CE1-OG1 2.98Å; H549-T580 VanDerWaalsContact CE1-OG1 3.32Å; H549-T580 WeakPolarHBondContact ND1-CG2 3.36Å; H549-T580 PolarHBondContact ND1-OG1 3.02Å; A568-T580 PolarHBondContact O-N 3.46Å
581L84.3Confident77.7Confident2 Ų246 Ų461%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-108.7152.4179.4-54.6-172.2000109.7S547 V548 L550 F552 F564 F567 A579 F583 F592S547-L581 WeakPolarHBondContact CA-O 3.31Å; V548-L581 PolarHBondContact N-O 3.42Å; V548-L581 PolarHBondContact O-N 3.45Å; L550-L581 HydrophobicContact CD1-CD1 3.58Å; L550-L581 HydrophobicContact CD1-CG 4.08Å; F552-L581 HydrophobicContact CZ-CD1 4.21Å; F564-L581 HydrophobicContact CD1-CD2 4.44Å; F564-L581 HydrophobicContact CE1-CD1 4.38Å; F567-L581 HydrophobicContact CB-CD2 3.67Å; F567-L581 HydrophobicContact CD1-CD2 3.28Å; F567-L581 HydrophobicContact CD2-CD2 3.5Å; F567-L581 HydrophobicContact CE1-CD2 3.69Å; F567-L581 HydrophobicContact CE2-CD2 3.9Å; F567-L581 HydrophobicContact CG-CD2 3.17Å; F567-L581 HydrophobicContact CZ-CD2 3.98Å; A579-L581 HydrophobicContact CB-CD2 4.47Å; L581-F583 HydrophobicContact CB-CD2 4.25Å; L581-F583 HydrophobicContact CB-CE2 3.47Å; L581-F583 VanDerWaalsContact CB-CE2 3.47Å; L581-F583 HydrophobicContact CB-CZ 4.03Å; L581-F583 HydrophobicContact CD1-CE2 4Å; L581-F583 HydrophobicContact CD1-CZ 3.84Å; L581-F583 HydrophobicContact CG-CE2 4.38Å; L581-F592 HydrophobicContact CD1-CD1 4.16Å; L581-F592 HydrophobicContact CD1-CE1 3.44Å; L581-F592 VanDerWaalsContact CD1-CE1 3.44Å; L581-F592 HydrophobicContact CD1-CZ 3.69Å
582S77.8Confident77Confident59 Ų5944.5 Ų44.541%0.41324%0.24SC..EExtended strand (participates in β ladder)trans-118.2122.1175.2-60.70000109.5L546L546-S582 WeakPolarHBondContact O-CA 3.38Å
583F73.1Confident76.4Confident26 Ų2643.1 Ų43.111%0.11423%0.233CC..EExtended strand (participates in β ladder)trans-113.1167.5175.9-63-88.4000109.7Q545 L546 V548 L581 D588 L589 F592Q545-F583 CarbonylContact C-O 3.26Å; Q545-F583 WeakPolarHBondContact CA-O 3.41Å; L546-F583 WeakPolarHBondContact CA-O 3.39Å; L546-F583 HydrophobicContact CB-CB 4.23Å; L546-F583 WeakPolarHBondContact CB-O 3.37Å; L546-F583 HydrophobicContact CD2-CB 4.39Å; L546-F583 PolarHBondContact N-O 3.49Å; L546-F583 PolarHBondContact O-N 3.43Å; V548-F583 HydrophobicContact CG2-CD2 3.98Å; V548-F583 HydrophobicContact CG2-CE2 4.48Å; L581-F583 HydrophobicContact CB-CD2 4.25Å; L581-F583 HydrophobicContact CB-CE2 3.47Å; L581-F583 VanDerWaalsContact CB-CE2 3.47Å; L581-F583 HydrophobicContact CB-CZ 4.03Å; L581-F583 HydrophobicContact CD1-CE2 4Å; L581-F583 HydrophobicContact CD1-CZ 3.84Å; L581-F583 HydrophobicContact CG-CE2 4.38Å; F583-D588 HydrophobicContact CD1-CB 4.16Å; F583-L589 HydrophobicContact CB-CB 4.09Å; F583-L589 HydrophobicContact CD1-CB 4.11Å; F583-L589 HydrophobicContact CD2-CB 3.84Å; F583-L589 HydrophobicContact CD2-CD1 3.55Å; F583-L589 HydrophobicContact CD2-CG 4.26Å; F583-L589 HydrophobicContact CE2-CB 4.28Å; F583-L589 HydrophobicContact CE2-CD1 3.28Å; F583-L589 HydrophobicContact CE2-CG 4.37Å; F583-L589 HydrophobicContact CG-CB 3.74Å; F583-L589 HydrophobicContact CG-CD1 4.28Å; F583-L589 HydrophobicContact CZ-CD1 3.86Å; F583-F592 HydrophobicContact CE1-CB 3.61Å; F583-F592 HydrophobicContact CE1-CD1 4.16Å; F583-F592 HydrophobicContact CE1-CD2 4.39Å; F583-F592 AromaticContact CE1-CG 3.78Å; F583-F592 HydrophobicContact CE1-CG 3.78Å; F583-F592 HydrophobicContact CZ-CB 3.88Å; F583-F592 AromaticContact CZ-CD1 3.54Å; F583-F592 HydrophobicContact CZ-CD1 3.54Å; F583-F592 HydrophobicContact CZ-CD2 4.37Å; F583-F592 HydrophobicContact CZ-CE1 4.21Å; F583-F592 AromaticContact CZ-CG 3.64Å; F583-F592 HydrophobicContact CZ-CG 3.64Å
584T63.1Low75.4Confident32 Ų3240.9 Ų40.920%0.19621%0.212CC..SBendtrans-99.8-30.4-173.434.20000111.6Y500 D588Y500-T584 HydrophobicContact CD1-CG2 3.31Å; Y500-T584 HydrophobicContact CD2-CG2 3.42Å; Y500-T584 VanDerWaalsContact CD2-CG2 3.42Å; Y500-T584 HydrophobicContact CE1-CG2 3.9Å; Y500-T584 HydrophobicContact CE2-CG2 3.99Å; Y500-T584 HydrophobicContact CG-CG2 3.03Å; T584-D588 PolarHBondContact OG1-OD2 2.91Å
585E67.6Low74.1Confident33 Ų3341.2 Ų41.215%0.15422%0.22CC..SBendtrans-148168.7169.854-172.4-14900110.6T502 K521 D587 D588 L589T502-E585 PolarHBondContact OG1-OE2 3.23Å; K521-E585 IonicContact NZ-OE1 2.63Å; K521-E585 IonicContact NZ-OE2 2.78Å; K521-E585 PolarHBondContact NZ-OE2 2.72Å; E585-D587 VanDerWaalsContact C-N 3.28Å; E585-D587 HydrophobicContact CG-CB 4.39Å; E585-D587 PolarHBondContact O-N 3.21Å; E585-D588 HydrophobicContact CG-CB 4.36Å; E585-D588 WeakPolarHBondContact CG-OD2 3.31Å; E585-D588 PolarHBondContact O-N 3.2Å; E585-L589 PolarHBondContact O-N 3.27Å
586F70.9Confident73.7Confident12 Ų1238.7 Ų38.75%0.05320%0.201CC..Hα-helixtrans-63.3-33.9179.2-175.1-91.2000112.5L546 D588 L589 Y590 W607 I608 K611 K612 E615L546-F586 HydrophobicContact CD2-CB 4.37Å; F586-D588 PolarHBondContact O-N 3.21Å; F586-L589 HydrophobicContact CD2-CD2 4.24Å; F586-L589 HydrophobicContact CE2-CD2 4.32Å; F586-L589 WeakPolarHBondContact O-CB 3.39Å; F586-L589 PolarHBondContact O-N 2.71Å; F586-Y590 HydrophobicContact CE1-CD2 4.4Å; F586-Y590 VanDerWaalsContact O-CB 3.31Å; F586-Y590 WeakPolarHBondContact O-CB 3.42Å; F586-Y590 PolarHBondContact O-N 3.24Å; F586-W607 HydrophobicContact CD2-CZ3 4.28Å; F586-I608 HydrophobicContact CD2-CG2 4.17Å; F586-I608 HydrophobicContact CE2-CB 4.33Å; F586-I608 HydrophobicContact CE2-CG2 3.68Å; F586-K611 HydrophobicContact CB-CD 4.41Å; F586-K611 HydrophobicContact CD1-CD 4.02Å; F586-K611 HydrophobicContact CD1-CG 4.31Å; F586-K611 HydrophobicContact CD2-CB 4.4Å; F586-K611 HydrophobicContact CD2-CD 3.78Å; F586-K611 HydrophobicContact CD2-CG 4.22Å; F586-K611 HydrophobicContact CE1-CD 4.25Å; F586-K611 HydrophobicContact CE1-CG 4.03Å; F586-K611 HydrophobicContact CE2-CB 3.81Å; F586-K611 HydrophobicContact CE2-CD 4Å; F586-K611 HydrophobicContact CE2-CG 3.9Å; F586-K611 HydrophobicContact CG-CD 3.79Å; F586-K611 HydrophobicContact CG-CG 4.41Å; F586-K611 HydrophobicContact CZ-CB 4Å; F586-K611 HydrophobicContact CZ-CD 4.25Å; F586-K611 HydrophobicContact CZ-CG 3.83Å; F586-K612 HydrophobicContact CZ-CB 4.03Å; F586-E615 WeakPolarHBondContact CD1-OE1 3.39Å; F586-E615 HydrophobicContact CE1-CB 4.18Å; F586-E615 HydrophobicContact CE1-CG 4.13Å; F586-E615 WeakPolarHBondContact CE1-OE2 3.46Å
587D63.9Low72.7Confident49 Ų4940.6 Ų40.626%0.26222%0.221SC..Hα-helixtrans-64.6-37.9178.8-75.7-50.1000112.4E585 Y590 R591 K619E585-D587 VanDerWaalsContact C-N 3.28Å; E585-D587 HydrophobicContact CG-CB 4.39Å; E585-D587 PolarHBondContact O-N 3.21Å; D587-Y590 PolarHBondContact O-N 3.24Å; D587-R591 WeakPolarHBondContact O-CG 3.35Å; D587-R591 PolarHBondContact O-N 3.21Å; D587-K619 IonicContact OD1-NZ 3.24Å; D587-K619 PolarHBondContact OD1-NZ 3.18Å; D587-K619 VanDerWaalsContact OD1-NZ 3.15Å
588D63.5Low71.7Confident31 Ų3148 Ų4817%0.16625%0.253CS..Hα-helixtrans-66.8-43.9176.2-69.2-34.3000111.7F583 T584 E585 F586 Y590 F592F583-D588 HydrophobicContact CD1-CB 4.16Å; T584-D588 PolarHBondContact OG1-OD2 2.91Å; E585-D588 HydrophobicContact CG-CB 4.36Å; E585-D588 WeakPolarHBondContact CG-OD2 3.31Å; E585-D588 PolarHBondContact O-N 3.2Å; F586-D588 PolarHBondContact O-N 3.21Å; D588-Y590 VanDerWaalsContact C-N 3.28Å; D588-Y590 PolarHBondContact O-N 3.15Å; D588-F592 WeakPolarHBondContact O-CB 3.39Å; D588-F592 PolarHBondContact O-N 3.08Å; D588-F592 VanDerWaalsContact O-N 3.08Å
589L78.5Confident70.9Confident1 Ų147.9 Ų47.91%0.00525%0.252CS..Hα-helixtrans-56.4-47.5170169.270.9000110.2L546 V548 F583 E585 F586 R591 F592 L593 I608L546-L589 HydrophobicContact CD2-CB 4.09Å; L546-L589 HydrophobicContact CD2-CD2 3.88Å; V548-L589 HydrophobicContact CB-CD1 4.18Å; V548-L589 HydrophobicContact CG1-CD1 4.06Å; V548-L589 HydrophobicContact CG1-CD2 4.26Å; V548-L589 HydrophobicContact CG2-CD1 3.9Å; V548-L589 HydrophobicContact CG2-CD2 3.83Å; V548-L589 HydrophobicContact CG2-CG 4.4Å; F583-L589 HydrophobicContact CB-CB 4.09Å; F583-L589 HydrophobicContact CD1-CB 4.11Å; F583-L589 HydrophobicContact CD2-CB 3.84Å; F583-L589 HydrophobicContact CD2-CD1 3.55Å; F583-L589 HydrophobicContact CD2-CG 4.26Å; F583-L589 HydrophobicContact CE2-CB 4.28Å; F583-L589 HydrophobicContact CE2-CD1 3.28Å; F583-L589 HydrophobicContact CE2-CG 4.37Å; F583-L589 HydrophobicContact CG-CB 3.74Å; F583-L589 HydrophobicContact CG-CD1 4.28Å; F583-L589 HydrophobicContact CZ-CD1 3.86Å; E585-L589 PolarHBondContact O-N 3.27Å; F586-L589 HydrophobicContact CD2-CD2 4.24Å; F586-L589 HydrophobicContact CE2-CD2 4.32Å; F586-L589 WeakPolarHBondContact O-CB 3.39Å; F586-L589 PolarHBondContact O-N 2.71Å; L589-R591 PolarHBondContact O-N 3.21Å; L589-F592 WeakPolarHBondContact O-CB 3.21Å; L589-F592 PolarHBondContact O-N 3.47Å; L589-F592 VanDerWaalsContact O-N 3.14Å; L589-L593 HydrophobicContact CD1-CD1 3.73Å; L589-L593 HydrophobicContact CD1-CD2 4.26Å; L589-L593 HydrophobicContact CD1-CG 3.85Å; L589-L593 HydrophobicContact CD2-CD1 4.32Å; L589-L593 HydrophobicContact CG-CD1 3.8Å; L589-L593 HydrophobicContact CG-CG 4.21Å; L589-L593 VanDerWaalsContact O-CG 3.28Å; L589-L593 WeakPolarHBondContact O-CG 3.28Å; L589-L593 PolarHBondContact O-N 3.36Å; L589-I608 HydrophobicContact CD2-CD1 4.25Å; L589-I608 HydrophobicContact CD2-CG2 3.28Å
590Y70.9Confident70.8Confident35 Ų3548.2 Ų48.214%0.13725%0.254CS..Hα-helixtrans-62.2-47-175.7-173.4-107.5000111.7F586 D587 D588 F592 L593 I594 I616F586-Y590 HydrophobicContact CE1-CD2 4.4Å; F586-Y590 VanDerWaalsContact O-CB 3.31Å; F586-Y590 WeakPolarHBondContact O-CB 3.42Å; F586-Y590 PolarHBondContact O-N 3.24Å; D587-Y590 PolarHBondContact O-N 3.24Å; D588-Y590 VanDerWaalsContact C-N 3.28Å; D588-Y590 PolarHBondContact O-N 3.15Å; Y590-F592 PolarHBondContact O-N 2.92Å; Y590-L593 PolarHBondContact O-N 3.1Å; Y590-L593 VanDerWaalsContact O-N 3.09Å; Y590-I594 HydrophobicContact CD1-CD1 3.56Å; Y590-I594 HydrophobicContact CD1-CG1 4.23Å; Y590-I594 HydrophobicContact CE1-CD1 3.23Å; Y590-I594 HydrophobicContact CE1-CG1 3.89Å; Y590-I594 HydrophobicContact CE2-CG1 4.36Å; Y590-I594 HydrophobicContact CG-CD1 4.36Å; Y590-I594 WeakPolarHBondContact O-CG1 3.28Å; Y590-I594 PolarHBondContact O-N 3.37Å; Y590-I616 HydrophobicContact CE2-CD1 4.21Å; Y590-I616 HydrophobicContact CE2-CG1 3.71Å; Y590-I616 WeakPolarHBondContact OH-CG1 3.36Å
591R60.5Low70.7Confident152 Ų15250.4 Ų50.457%0.57426%0.261SS*.Hα-helixtrans-60.5-32.9174.3-70.2-179-152.2157.310.4112.8D587 L589 P595D587-R591 WeakPolarHBondContact O-CG 3.35Å; D587-R591 PolarHBondContact O-N 3.21Å; L589-R591 PolarHBondContact O-N 3.21Å; R591-P595 VanDerWaalsContact O-CD 3.22Å; R591-P595 WeakPolarHBondContact O-CD 3.39Å
592F70Confident70.9Confident63 Ų6350.7 Ų50.728%0.27626%0.262SS..Hα-helixtrans-70.1-38174.8175.4-93.9000112.5L550 F552 F564 L581 F583 D588 L589 Y590 L596L550-F592 HydrophobicContact CD1-CE1 4.11Å; F552-F592 HydrophobicContact CE1-CE1 4.28Å; F552-F592 HydrophobicContact CZ-CE1 4.27Å; F564-F592 HydrophobicContact CE1-CE1 4.4Å; F564-F592 AromaticContact CE1-CZ 3.62Å; F564-F592 HydrophobicContact CE1-CZ 3.62Å; F564-F592 HydrophobicContact CZ-CZ 4.01Å; L581-F592 HydrophobicContact CD1-CD1 4.16Å; L581-F592 HydrophobicContact CD1-CE1 3.44Å; L581-F592 VanDerWaalsContact CD1-CE1 3.44Å; L581-F592 HydrophobicContact CD1-CZ 3.69Å; F583-F592 HydrophobicContact CE1-CB 3.61Å; F583-F592 HydrophobicContact CE1-CD1 4.16Å; F583-F592 HydrophobicContact CE1-CD2 4.39Å; F583-F592 AromaticContact CE1-CG 3.78Å; F583-F592 HydrophobicContact CE1-CG 3.78Å; F583-F592 HydrophobicContact CZ-CB 3.88Å; F583-F592 AromaticContact CZ-CD1 3.54Å; F583-F592 HydrophobicContact CZ-CD1 3.54Å; F583-F592 HydrophobicContact CZ-CD2 4.37Å; F583-F592 HydrophobicContact CZ-CE1 4.21Å; F583-F592 AromaticContact CZ-CG 3.64Å; F583-F592 HydrophobicContact CZ-CG 3.64Å; D588-F592 WeakPolarHBondContact O-CB 3.39Å; D588-F592 PolarHBondContact O-N 3.08Å; D588-F592 VanDerWaalsContact O-N 3.08Å; L589-F592 WeakPolarHBondContact O-CB 3.21Å; L589-F592 PolarHBondContact O-N 3.47Å; L589-F592 VanDerWaalsContact O-N 3.14Å; Y590-F592 PolarHBondContact O-N 2.92Å; F592-L596 HydrophobicContact CD1-CD1 4.35Å; F592-L596 HydrophobicContact CE1-CD1 3.76Å; F592-L596 HydrophobicContact CZ-CD1 4.01Å
593L75.7Confident71.5Confident4 Ų450.3 Ų50.32%0.02126%0.255CS..Hα-helixtrans-78.6-33.5-176.2-66.8178.4000113.8L550 L589 Y590 L596 G597 V600 I602 K612L550-L593 HydrophobicContact CD1-CD2 3.82Å; L550-L593 HydrophobicContact CD2-CD2 3.8Å; L550-L593 HydrophobicContact CG-CD2 4.47Å; L589-L593 HydrophobicContact CD1-CD1 3.73Å; L589-L593 HydrophobicContact CD1-CD2 4.26Å; L589-L593 HydrophobicContact CD1-CG 3.85Å; L589-L593 HydrophobicContact CD2-CD1 4.32Å; L589-L593 HydrophobicContact CG-CD1 3.8Å; L589-L593 HydrophobicContact CG-CG 4.21Å; L589-L593 VanDerWaalsContact O-CG 3.28Å; L589-L593 WeakPolarHBondContact O-CG 3.28Å; L589-L593 PolarHBondContact O-N 3.36Å; Y590-L593 PolarHBondContact O-N 3.1Å; Y590-L593 VanDerWaalsContact O-N 3.09Å; L593-L596 WeakPolarHBondContact O-CB 3.48Å; L593-L596 PolarHBondContact O-N 3.2Å; L593-L596 VanDerWaalsContact O-N 3.13Å; L593-G597 PolarHBondContact O-N 3.08Å; L593-V600 HydrophobicContact CB-CG1 4.41Å; L593-V600 HydrophobicContact CD2-CB 4.34Å; L593-V600 HydrophobicContact CD2-CG1 3.73Å; L593-V600 HydrophobicContact CD2-CG2 3.65Å; L593-I602 HydrophobicContact CD1-CD1 3.54Å; L593-I602 HydrophobicContact CD1-CG1 3.92Å; L593-K612 HydrophobicContact CD1-CD 4.43Å
594I63.3Low72.2Confident96 Ų9649.4 Ų49.449%0.49225%0.253SS..G310 helixtrans-52.7-52.8-175.6-72.2161.6000112.7Y590 L596 G597Y590-I594 HydrophobicContact CD1-CD1 3.56Å; Y590-I594 HydrophobicContact CD1-CG1 4.23Å; Y590-I594 HydrophobicContact CE1-CD1 3.23Å; Y590-I594 HydrophobicContact CE1-CG1 3.89Å; Y590-I594 HydrophobicContact CE2-CG1 4.36Å; Y590-I594 HydrophobicContact CG-CD1 4.36Å; Y590-I594 WeakPolarHBondContact O-CG1 3.28Å; Y590-I594 PolarHBondContact O-N 3.37Å; I594-L596 PolarHBondContact O-N 3.15Å; I594-L596 VanDerWaalsContact O-N 3.07Å; I594-G597 PolarHBondContact O-N 3.35Å; I594-G597 VanDerWaalsContact O-N 3.09Å
595P54.1Low73.2Confident108 Ų10850.1 Ų50.170%0.70126%0.258SS*.G310 helixtrans-66-17-175.6-2033.4000113.8R591R591-P595 VanDerWaalsContact O-CD 3.22Å; R591-P595 WeakPolarHBondContact O-CD 3.39Å
596L67.4Low73.8Confident15 Ų1553.2 Ų53.28%0.07928%0.276CS..G310 helixtrans-85.4-21-179.8-61.6173.8000112F552 I556 F592 L593 I594 K598 N599 V600F552-L596 HydrophobicContact CD1-CD1 4.27Å; F552-L596 HydrophobicContact CE1-CD1 3.7Å; I556-L596 HydrophobicContact CD1-CD2 4.29Å; F592-L596 HydrophobicContact CD1-CD1 4.35Å; F592-L596 HydrophobicContact CE1-CD1 3.76Å; F592-L596 HydrophobicContact CZ-CD1 4.01Å; L593-L596 WeakPolarHBondContact O-CB 3.48Å; L593-L596 PolarHBondContact O-N 3.2Å; L593-L596 VanDerWaalsContact O-N 3.13Å; I594-L596 PolarHBondContact O-N 3.15Å; I594-L596 VanDerWaalsContact O-N 3.07Å; L596-K598 PolarHBondContact O-N 3.4Å; L596-N599 VanDerWaalsContact O-CB 3.25Å; L596-N599 WeakPolarHBondContact O-CB 3.45Å; L596-N599 PolarHBondContact O-N 3.33Å; L596-N599 PolarHBondContact O-ND2 3.35Å; L596-V600 HydrophobicContact CB-CB 3.99Å; L596-V600 HydrophobicContact CB-CG1 3.53Å; L596-V600 HydrophobicContact CD1-CB 4.09Å; L596-V600 HydrophobicContact CD1-CG1 4.07Å; L596-V600 HydrophobicContact CD1-CG2 4.39Å; L596-V600 HydrophobicContact CG-CG1 4.48Å
597G64.9Low74.2Confident43 Ų4358.5 Ų58.544%0.44330%0.296SS..G310 helixtrans48.1-129.4177.400000112.8L593 I594 N599 V600L593-G597 PolarHBondContact O-N 3.08Å; I594-G597 PolarHBondContact O-N 3.35Å; I594-G597 VanDerWaalsContact O-N 3.09Å; G597-N599 PolarHBondContact O-N 2.93Å; G597-N599 VanDerWaalsContact O-N 3.09Å; G597-V600 PolarHBondContact O-N 3.45Å
598K67.4Low75Confident156 Ų15656.2 Ų56.268%0.67828%0.283SS*.G310 helixtrans-61.9-11.7177.468.4-173.2176.3-167.30115.2E35 L596 V600E35-K598 IonicContact OE1-NZ 3.03Å; L596-K598 PolarHBondContact O-N 3.4Å; K598-V600 VanDerWaalsContact C-N 3.28Å; K598-V600 PolarHBondContact O-N 2.85Å
599N75.7Confident75.4Confident31 Ų3159.2 Ų59.217%0.16629%0.292CS..G310 helixtrans-84.2-0.9-178.3-59.1-59.8000113.2F552 S553 I556 L596 G597F552-N599 CarbonylContact C-O 3.56Å; F552-N599 VanDerWaalsContact CA-O 3.26Å; F552-N599 WeakPolarHBondContact CA-O 3.37Å; S553-N599 PolarHBondContact N-O 3.04Å; S553-N599 PolarHBondContact OG-OD1 3.47Å; I556-N599 HydrophobicContact CB-CB 4.49Å; I556-N599 HydrophobicContact CD1-CB 3.65Å; I556-N599 WeakPolarHBondContact CD1-O 3.26Å; I556-N599 HydrophobicContact CG1-CB 3.96Å; I556-N599 HydrophobicContact CG2-CB 3.74Å; L596-N599 VanDerWaalsContact O-CB 3.25Å; L596-N599 WeakPolarHBondContact O-CB 3.45Å; L596-N599 PolarHBondContact O-N 3.33Å; L596-N599 PolarHBondContact O-ND2 3.35Å; G597-N599 PolarHBondContact O-N 2.93Å; G597-N599 VanDerWaalsContact O-N 3.09Å
600V85.1Confident75.1Confident11 Ų1165 Ų657%0.06732%0.319CS..EExtended strand (participates in β ladder)trans-132.9132.6176.868.20000112.3L550 R551 F552 L593 L596 G597 K598L550-V600 HydrophobicContact CB-CG2 4.04Å; L550-V600 HydrophobicContact CD1-CG2 4.23Å; L550-V600 HydrophobicContact CD2-CG2 4.12Å; L550-V600 HydrophobicContact CG-CG2 4.36Å; R551-V600 CarbonylContact O-C 3.58Å; R551-V600 VanDerWaalsContact O-CA 3.31Å; R551-V600 WeakPolarHBondContact O-CA 3.5Å; F552-V600 HydrophobicContact CD1-CB 4.06Å; F552-V600 HydrophobicContact CD1-CG2 3.78Å; F552-V600 HydrophobicContact CE1-CB 4.16Å; F552-V600 HydrophobicContact CE1-CG2 3.55Å; F552-V600 HydrophobicContact CZ-CG2 4.09Å; L593-V600 HydrophobicContact CB-CG1 4.41Å; L593-V600 HydrophobicContact CD2-CB 4.34Å; L593-V600 HydrophobicContact CD2-CG1 3.73Å; L593-V600 HydrophobicContact CD2-CG2 3.65Å; L596-V600 HydrophobicContact CB-CB 3.99Å; L596-V600 HydrophobicContact CB-CG1 3.53Å; L596-V600 HydrophobicContact CD1-CB 4.09Å; L596-V600 HydrophobicContact CD1-CG1 4.07Å; L596-V600 HydrophobicContact CD1-CG2 4.39Å; L596-V600 HydrophobicContact CG-CG1 4.48Å; G597-V600 PolarHBondContact O-N 3.45Å; K598-V600 VanDerWaalsContact C-N 3.28Å; K598-V600 PolarHBondContact O-N 2.85Å
601E87.2Confident75Confident100 Ų10066.3 Ų66.347%0.46733%0.326SS..EExtended strand (participates in β ladder)trans-118136.4175.5178.6-172.7-173.300109.7L550 R551 L603L550-E601 CarbonylContact C-O 3.48Å; L550-E601 VanDerWaalsContact CA-O 3.26Å; L550-E601 WeakPolarHBondContact CA-O 3.4Å; R551-E601 HydrophobicContact CB-CB 4.23Å; R551-E601 PolarHBondContact N-O 3.47Å; R551-E601 PolarHBondContact O-N 3.08Å; E601-L603 HydrophobicContact CG-CD2 4.47Å; E601-L603 PolarHBondContact O-N 3.43Å
602I89.2Confident75.1Confident8 Ų861.5 Ų61.54%0.04131%0.309CS..EExtended strand (participates in β ladder)trans-85106175-53.7-177.1000109.1V548 L550 L593 I608 R609 K612V548-I602 HydrophobicContact CG1-CG2 4.01Å; L550-I602 HydrophobicContact CD2-CB 4.28Å; L550-I602 HydrophobicContact CD2-CG1 3.82Å; L550-I602 HydrophobicContact CD2-CG2 4.46Å; L593-I602 HydrophobicContact CD1-CD1 3.54Å; L593-I602 HydrophobicContact CD1-CG1 3.92Å; I602-I608 HydrophobicContact CD1-CG2 3.79Å; I602-I608 HydrophobicContact CG2-CB 4.42Å; I602-I608 HydrophobicContact CG2-CG2 4.1Å; I602-R609 HydrophobicContact CG2-CB 4.48Å; I602-R609 VanDerWaalsContact O-CZ 3.31Å; I602-R609 PolarHBondContact O-NE 3.32Å; I602-R609 PolarHBondContact O-NH2 2.78Å; I602-K612 HydrophobicContact CD1-CB 4.28Å; I602-K612 HydrophobicContact CD1-CD 3.62Å; I602-K612 HydrophobicContact CG1-CD 4.5Å
603L90.5Very high74.7Confident51 Ų5166 Ų6627%0.26733%0.328SS..EExtended strand (participates in β ladder)trans-75.7-29.6176.7-62.2-177.3000112.5H549 R551 D578 E601 R609H549-L603 HydrophobicContact CB-CB 4.05Å; H549-L603 WeakPolarHBondContact O-CA 3.3Å; H549-L603 WeakPolarHBondContact O-CB 3.25Å; H549-L603 PolarHBondContact O-N 2.98Å; R551-L603 HydrophobicContact CB-CD1 3.94Å; R551-L603 HydrophobicContact CB-CD2 3.86Å; R551-L603 HydrophobicContact CB-CG 3.85Å; D578-L603 HydrophobicContact CB-CD1 4.09Å; D578-L603 VanDerWaalsContact CG-CD1 3.46Å; D578-L603 WeakPolarHBondContact OD2-CD1 3.31Å; E601-L603 HydrophobicContact CG-CD2 4.47Å; E601-L603 PolarHBondContact O-N 3.43Å; L603-R609 VanDerWaalsContact C-NH2 3.32Å; L603-R609 PolarHBondContact O-NH2 3.26Å
604G86.2Confident73.7Confident7 Ų772.3 Ų72.37%0.07236%0.358CS..EExtended strand (participates in β ladder)trans169.9173.1172.300000113.2H549H549-G604 PolarHBondContact N-O 3.43Å; H549-G604 PolarHBondContact O-N 2.95Å
605P85.4Confident73Confident47 Ų4769.4 Ų69.431%0.30534%0.342SS..  cis-68.6154.2-2.827-36.2000114.2S547 W607 I608S547-P605 VanDerWaalsContact O-CD 3.23Å; S547-P605 WeakPolarHBondContact O-CD 3.46Å; P605-W607 VanDerWaalsContact C-N 3.29Å; P605-W607 VanDerWaalsContact CG-NE1 3.29Å; P605-W607 PolarHBondContact O-N 3.03Å; P605-I608 HydrophobicContact CG-CD1 3.61Å; P605-I608 HydrophobicContact CG-CG1 3.9Å; P605-I608 WeakPolarHBondContact O-CB 3.45Å; P605-I608 PolarHBondContact O-N 3.2Å
606D78.9Confident72.7Confident98 Ų9865.8 Ų65.852%0.52432%0.316SS..Hα-helixtrans-57.8-37-172.9-69.1-37.6000113.3I608 R609 E610D606-I608 PolarHBondContact O-N 3.47Å; D606-I608 VanDerWaalsContact O-N 3.16Å; D606-R609 WeakPolarHBondContact O-CA 3.34Å; D606-R609 VanDerWaalsContact O-CB 3.28Å; D606-R609 WeakPolarHBondContact O-CB 3.48Å; D606-R609 PolarHBondContact O-N 3.34Å; D606-R609 IonicContact OD1-CZ 2.78Å; D606-R609 IonicContact OD1-NH1 3.85Å; D606-R609 PolarHBondContact OD1-NH1 3.17Å; D606-R609 IonicContact OD1-NH2 2.62Å; D606-E610 PolarHBondContact O-N 2.96Å
607W79.8Confident71.7Confident123 Ų12366.9 Ų66.947%0.46633%0.326SS..Hα-helixtrans-61-27.417974.8-97.3000112.9L546 F586 P605 K611L546-W607 HydrophobicContact CD1-CH2 3.27Å; L546-W607 HydrophobicContact CD1-CZ2 3.07Å; L546-W607 HydrophobicContact CD1-CZ3 4.48Å; F586-W607 HydrophobicContact CD2-CZ3 4.28Å; P605-W607 VanDerWaalsContact C-N 3.29Å; P605-W607 VanDerWaalsContact CG-NE1 3.29Å; P605-W607 PolarHBondContact O-N 3.03Å; W607-K611 HydrophobicContact CE3-CB 4.38Å; W607-K611 HydrophobicContact CE3-CD 4.38Å; W607-K611 HydrophobicContact CZ3-CD 3.97Å; W607-K611 WeakPolarHBondContact O-CB 3.39Å; W607-K611 PolarHBondContact O-N 3.28Å
608I80.1Confident71.3Confident0 Ų069.3 Ų69.30%033%0.327CS..Hα-helixtrans-73-39.1174.5-64.7179.3000109.9L546 V548 F586 L589 I602 P605 D606 E610 K611 K612L546-I608 HydrophobicContact CD1-CD1 3.4Å; L546-I608 VanDerWaalsContact CD1-CD1 3.4Å; L546-I608 HydrophobicContact CD1-CG1 3.98Å; L546-I608 HydrophobicContact CD2-CD1 4.06Å; L546-I608 HydrophobicContact CG-CD1 3.77Å; V548-I608 HydrophobicContact CB-CD1 4.28Å; V548-I608 HydrophobicContact CG1-CD1 4.09Å; V548-I608 HydrophobicContact CG1-CG2 4.44Å; V548-I608 HydrophobicContact CG2-CD1 3.48Å; V548-I608 VanDerWaalsContact CG2-CD1 3.48Å; F586-I608 HydrophobicContact CD2-CG2 4.17Å; F586-I608 HydrophobicContact CE2-CB 4.33Å; F586-I608 HydrophobicContact CE2-CG2 3.68Å; L589-I608 HydrophobicContact CD2-CD1 4.25Å; L589-I608 HydrophobicContact CD2-CG2 3.28Å; I602-I608 HydrophobicContact CD1-CG2 3.79Å; I602-I608 HydrophobicContact CG2-CB 4.42Å; I602-I608 HydrophobicContact CG2-CG2 4.1Å; P605-I608 HydrophobicContact CG-CD1 3.61Å; P605-I608 HydrophobicContact CG-CG1 3.9Å; P605-I608 WeakPolarHBondContact O-CB 3.45Å; P605-I608 PolarHBondContact O-N 3.2Å; D606-I608 PolarHBondContact O-N 3.47Å; D606-I608 VanDerWaalsContact O-N 3.16Å; I608-E610 VanDerWaalsContact C-N 3.34Å; I608-K611 PolarHBondContact O-N 3.3Å; I608-K612 VanDerWaalsContact O-CB 3.27Å; I608-K612 WeakPolarHBondContact O-CB 3.16Å; I608-K612 PolarHBondContact O-N 3.47Å
609R73.8Confident71.1Confident94 Ų9466.6 Ų66.636%0.35532%0.315SS..Hα-helixtrans-63.8-43.1175.5-170.2-171.2-62.9153.26.1110.5I602 L603 D606 K613I602-R609 HydrophobicContact CG2-CB 4.48Å; I602-R609 VanDerWaalsContact O-CZ 3.31Å; I602-R609 PolarHBondContact O-NE 3.32Å; I602-R609 PolarHBondContact O-NH2 2.78Å; L603-R609 VanDerWaalsContact C-NH2 3.32Å; L603-R609 PolarHBondContact O-NH2 3.26Å; D606-R609 WeakPolarHBondContact O-CA 3.34Å; D606-R609 VanDerWaalsContact O-CB 3.28Å; D606-R609 WeakPolarHBondContact O-CB 3.48Å; D606-R609 PolarHBondContact O-N 3.34Å; D606-R609 IonicContact OD1-CZ 2.78Å; D606-R609 IonicContact OD1-NH1 3.85Å; D606-R609 PolarHBondContact OD1-NH1 3.17Å; D606-R609 IonicContact OD1-NH2 2.62Å; R609-K613 PolarHBondContact O-N 3.06Å
610E71.2Confident71.4Confident122 Ų12268 Ų6857%0.5732%0.319SS*.Hα-helixtrans-64.8-49.6174.9-68.5172.9169.400111.2D606 I608 K612 K613 E614D606-E610 PolarHBondContact O-N 2.96Å; I608-E610 VanDerWaalsContact C-N 3.34Å; E610-K612 VanDerWaalsContact C-N 3.29Å; E610-K612 PolarHBondContact O-N 2.9Å; E610-K613 WeakPolarHBondContact O-CA 3.41Å; E610-K613 WeakPolarHBondContact O-CB 3.23Å; E610-K613 PolarHBondContact O-N 3.13Å; E610-E614 PolarHBondContact O-N 3.06Å
611K67.9Low71.3Confident64 Ų6473.7 Ų73.728%0.27835%0.345SS..Hα-helixtrans-62.7-34.1178-170.6175.1179.8-159.70112.8F586 W607 I608 K613 E614 E615F586-K611 HydrophobicContact CB-CD 4.41Å; F586-K611 HydrophobicContact CD1-CD 4.02Å; F586-K611 HydrophobicContact CD1-CG 4.31Å; F586-K611 HydrophobicContact CD2-CB 4.4Å; F586-K611 HydrophobicContact CD2-CD 3.78Å; F586-K611 HydrophobicContact CD2-CG 4.22Å; F586-K611 HydrophobicContact CE1-CD 4.25Å; F586-K611 HydrophobicContact CE1-CG 4.03Å; F586-K611 HydrophobicContact CE2-CB 3.81Å; F586-K611 HydrophobicContact CE2-CD 4Å; F586-K611 HydrophobicContact CE2-CG 3.9Å; F586-K611 HydrophobicContact CG-CD 3.79Å; F586-K611 HydrophobicContact CG-CG 4.41Å; F586-K611 HydrophobicContact CZ-CB 4Å; F586-K611 HydrophobicContact CZ-CD 4.25Å; F586-K611 HydrophobicContact CZ-CG 3.83Å; W607-K611 HydrophobicContact CE3-CB 4.38Å; W607-K611 HydrophobicContact CE3-CD 4.38Å; W607-K611 HydrophobicContact CZ3-CD 3.97Å; W607-K611 WeakPolarHBondContact O-CB 3.39Å; W607-K611 PolarHBondContact O-N 3.28Å; I608-K611 PolarHBondContact O-N 3.3Å; K611-K613 VanDerWaalsContact C-N 3.3Å; K611-K613 PolarHBondContact O-N 2.93Å; K611-E614 PolarHBondContact O-N 2.74Å; K611-E615 WeakPolarHBondContact CE-OE1 3.12Å; K611-E615 HydrophobicContact CG-CG 4.43Å; K611-E615 IonicContact NZ-OE1 3.98Å; K611-E615 PolarHBondContact NZ-OE1 3Å; K611-E615 WeakPolarHBondContact O-CB 3.36Å; K611-E615 PolarHBondContact O-N 3.07Å
612K63.7Low71.4Confident50 Ų5074.5 Ų74.522%0.21735%0.349CS..Hα-helixtrans-62.2-39.1172.2178.8174.3172.8-173.70110.7F586 L593 I602 I608 E610 I616F586-K612 HydrophobicContact CZ-CB 4.03Å; L593-K612 HydrophobicContact CD1-CD 4.43Å; I602-K612 HydrophobicContact CD1-CB 4.28Å; I602-K612 HydrophobicContact CD1-CD 3.62Å; I602-K612 HydrophobicContact CG1-CD 4.5Å; I608-K612 VanDerWaalsContact O-CB 3.27Å; I608-K612 WeakPolarHBondContact O-CB 3.16Å; I608-K612 PolarHBondContact O-N 3.47Å; E610-K612 VanDerWaalsContact C-N 3.29Å; E610-K612 PolarHBondContact O-N 2.9Å; K612-I616 HydrophobicContact CD-CD1 4.15Å; K612-I616 HydrophobicContact CG-CD1 3.47Å; K612-I616 VanDerWaalsContact CG-CD1 3.47Å; K612-I616 HydrophobicContact CG-CG1 4.19Å; K612-I616 WeakPolarHBondContact O-CB 3.31Å; K612-I616 WeakPolarHBondContact O-CD1 3.37Å; K612-I616 WeakPolarHBondContact O-CG1 3.33Å; K612-I616 PolarHBondContact O-N 3.32Å
613K60.8Low71.4Confident157 Ų15775.7 Ų75.768%0.68336%0.355SS*.Hα-helixtrans-65.3-43.2173.7-69-177.8174.2-168.80111.8R609 E610 K611 S617R609-K613 PolarHBondContact O-N 3.06Å; E610-K613 WeakPolarHBondContact O-CA 3.41Å; E610-K613 WeakPolarHBondContact O-CB 3.23Å; E610-K613 PolarHBondContact O-N 3.13Å; K611-K613 VanDerWaalsContact C-N 3.3Å; K611-K613 PolarHBondContact O-N 2.93Å; K613-S617 WeakPolarHBondContact O-CB 3.29Å; K613-S617 PolarHBondContact O-N 2.97Å
614E55.5Low71.3Confident137 Ų13778.9 Ų78.964%0.6437%0.37SS*.Hα-helixtrans-67.8-44.8179.2-67.7178.8171.700113.4E610 K611 S617E610-E614 PolarHBondContact O-N 3.06Å; K611-E614 PolarHBondContact O-N 2.74Å; E614-S617 PolarHBondContact O-N 2.88Å; E614-S617 PolarHBondContact O-OG 3.37Å
615E48.6Very low71.4Confident36 Ų3679.8 Ų79.817%0.16837%0.372CS..Hα-helixtrans-75-29.3179.9-82.5-162.5-160.400112.9F586 K611 S617 K619F586-E615 WeakPolarHBondContact CD1-OE1 3.39Å; F586-E615 HydrophobicContact CE1-CB 4.18Å; F586-E615 HydrophobicContact CE1-CG 4.13Å; F586-E615 WeakPolarHBondContact CE1-OE2 3.46Å; K611-E615 WeakPolarHBondContact CE-OE1 3.12Å; K611-E615 HydrophobicContact CG-CG 4.43Å; K611-E615 IonicContact NZ-OE1 3.98Å; K611-E615 PolarHBondContact NZ-OE1 3Å; K611-E615 WeakPolarHBondContact O-CB 3.36Å; K611-E615 PolarHBondContact O-N 3.07Å; E615-S617 VanDerWaalsContact C-N 3.28Å; E615-K619 WeakPolarHBondContact OE2-CE 3.36Å; E615-K619 IonicContact OE2-NZ 3.23Å; E615-K619 PolarHBondContact OE2-NZ 3.17Å
616I47.9Very low71.2Confident31 Ų3181.5 Ų81.516%0.15938%0.383CS..Hα-helixtrans-66.2-35170.5-73.9173.4000110.1Y590 K612 M618 L720 V722Y590-I616 HydrophobicContact CE2-CD1 4.21Å; Y590-I616 HydrophobicContact CE2-CG1 3.71Å; Y590-I616 WeakPolarHBondContact OH-CG1 3.36Å; K612-I616 HydrophobicContact CD-CD1 4.15Å; K612-I616 HydrophobicContact CG-CD1 3.47Å; K612-I616 VanDerWaalsContact CG-CD1 3.47Å; K612-I616 HydrophobicContact CG-CG1 4.19Å; K612-I616 WeakPolarHBondContact O-CB 3.31Å; K612-I616 WeakPolarHBondContact O-CD1 3.37Å; K612-I616 WeakPolarHBondContact O-CG1 3.33Å; K612-I616 PolarHBondContact O-N 3.32Å; I616-M618 PolarHBondContact O-N 2.9Å; I616-L720 HydrophobicContact CG2-CD2 4.39Å; I616-V722 HydrophobicContact CG2-CB 3.98Å; I616-V722 HydrophobicContact CG2-CG2 3.32Å
617S45.8Very low71.6Confident39 Ų3980.9 Ų80.927%0.27338%0.38SS..SBendtrans-81-9.7-171.787.80000115.5K613 E614 E615K613-S617 WeakPolarHBondContact O-CB 3.29Å; K613-S617 PolarHBondContact O-N 2.97Å; E614-S617 PolarHBondContact O-N 2.88Å; E614-S617 PolarHBondContact O-OG 3.37Å; E615-S617 VanDerWaalsContact C-N 3.28Å
618M55.9Low72.1Confident94 Ų9475.7 Ų75.746%0.46336%0.361SS..  trans-15128.6-170.9-71.2-172.3173.200116.7I616 A734I616-M618 PolarHBondContact O-N 2.9Å; M618-A734 HydrophobicContact CE-CB 4.37Å
619K64.6Low72.9Confident99 Ų9978.9 Ų78.943%0.4337%0.373SS..  trans-84.2116.5165.5-83.4-176.3-176.8166.80109.7D587 E615D587-K619 IonicContact OD1-NZ 3.24Å; D587-K619 PolarHBondContact OD1-NZ 3.18Å; D587-K619 VanDerWaalsContact OD1-NZ 3.15Å; E615-K619 WeakPolarHBondContact OE2-CE 3.36Å; E615-K619 IonicContact OE2-NZ 3.23Å; E615-K619 PolarHBondContact OE2-NZ 3.17Å
620F80.6Confident74Confident59 Ų5974.4 Ų74.426%0.25936%0.356SS..EExtended strand (participates in β ladder)trans-95.5130.9174.9-52.4-46000110.5L717 S718 A719 A734 M735 E738F620-L717 HydrophobicContact CB-CD1 3.93Å; F620-L717 HydrophobicContact CB-CD2 3.98Å; F620-L717 HydrophobicContact CB-CG 3.99Å; F620-L717 HydrophobicContact CD1-CD2 4.38Å; F620-L717 HydrophobicContact CG-CD2 4.06Å; F620-S718 CarbonylContact C-O 3.5Å; F620-S718 WeakPolarHBondContact CA-O 3.4Å; F620-A719 HydrophobicContact CD1-CB 3.89Å; F620-A719 HydrophobicContact CE1-CB 4.17Å; F620-A734 HydrophobicContact CE2-CB 4.38Å; F620-A734 HydrophobicContact CZ-CB 3.66Å; F620-M735 HydrophobicContact CD1-CG 3.68Å; F620-M735 HydrophobicContact CE1-CB 4.4Å; F620-M735 HydrophobicContact CE1-CG 3.34Å; F620-M735 HydrophobicContact CZ-CG 4.11Å; F620-E738 HydrophobicContact CB-CG 4.4Å; F620-E738 HydrophobicContact CD2-CB 3.72Å; F620-E738 HydrophobicContact CD2-CG 3.64Å; F620-E738 HydrophobicContact CE2-CB 4.03Å; F620-E738 HydrophobicContact CE2-CG 4.36Å; F620-E738 HydrophobicContact CG-CB 4.46Å; F620-E738 HydrophobicContact CG-CG 4.34Å
621E83.6Confident75.2Confident132 Ų13268.6 Ų68.662%0.61733%0.329SS*.EExtended strand (participates in β ladder)trans-116.4130174.5-170.1173.2-176.900109.7I623 L717 S718E621-I623 HydrophobicContact CB-CG2 4.24Å; E621-I623 HydrophobicContact CG-CG2 3.87Å; E621-I623 PolarHBondContact O-N 2.88Å; E621-L717 CarbonylContact O-C 3.57Å; E621-L717 WeakPolarHBondContact O-CA 3.34Å; E621-S718 PolarHBondContact N-O 3.41Å; E621-S718 PolarHBondContact O-N 3.43Å
622Q90.4Very high76.6Confident116 Ų11665.6 Ų65.654%0.54232%0.316SS..EExtended strand (participates in β ladder)trans-80.6114.8169.1-70.4177.860.800108.3L717 I742 Y773Q622-L717 HydrophobicContact CG-CD1 3.82Å; Q622-I742 HydrophobicContact CG-CD1 3.92Å; Q622-Y773 WeakPolarHBondContact CG-OH 3.35Å; Q622-Y773 PolarHBondContact OE1-OH 3.23Å; Q622-Y773 VanDerWaalsContact OE1-OH 3.1Å
623I88.2Confident78.2Confident33 Ų3364.4 Ų64.417%0.16931%0.311CS..EExtended strand (participates in β ladder)trans-113.8155.6-17865.2161.6000111.2E621 K625 K715 A716 E770E621-I623 HydrophobicContact CB-CG2 4.24Å; E621-I623 HydrophobicContact CG-CG2 3.87Å; E621-I623 PolarHBondContact O-N 2.88Å; I623-K625 HydrophobicContact CD1-CD 4.38Å; I623-K715 WeakPolarHBondContact O-CA 3.47Å; I623-A716 HydrophobicContact CD1-CB 4.23Å; I623-A716 HydrophobicContact CG1-CB 3.95Å; I623-A716 VanDerWaalsContact CG1-O 3.27Å; I623-A716 WeakPolarHBondContact CG1-O 3.25Å; I623-A716 PolarHBondContact N-O 2.86Å; I623-A716 PolarHBondContact O-N 3.06Å; I623-E770 HydrophobicContact CD1-CG 4.06Å; I623-E770 VanDerWaalsContact CD1-OE1 3.28Å; I623-E770 WeakPolarHBondContact CD1-OE1 3.46Å
624M88.6Confident79.9Confident118 Ų11860.1 Ų60.158%0.58130%0.298SS*.EExtended strand (participates in β ladder)trans-112.9110.3162.5-17574.578.800107.2Y714 K715M624-Y714 CarbonylContact C-O 3.57Å; M624-Y714 WeakPolarHBondContact CA-O 3.37Å; M624-K715 HydrophobicContact CE-CG 3.82Å; M624-K715 HydrophobicContact SD-CG 3.87Å
625K87.9Confident81.8Confident26 Ų2655.5 Ų55.511%0.11328%0.276CS..EExtended strand (participates in β ladder)trans-70.7130.7174.2-15479.9167.5-152.40108.5I623 S713 Y714 Y753 E770I623-K625 HydrophobicContact CD1-CD 4.38Å; K625-S713 WeakPolarHBondContact O-CA 3.25Å; K625-S713 WeakPolarHBondContact O-CB 3.3Å; K625-Y714 HydrophobicContact CB-CD1 3.95Å; K625-Y714 HydrophobicContact CB-CD2 3.93Å; K625-Y714 HydrophobicContact CB-CE1 3.61Å; K625-Y714 HydrophobicContact CB-CE2 3.57Å; K625-Y714 HydrophobicContact CB-CG 4.12Å; K625-Y714 VanDerWaalsContact CB-CZ 3.42Å; K625-Y714 HydrophobicContact CD-CE2 4.5Å; K625-Y714 HydrophobicContact CG-CE1 3.76Å; K625-Y714 HydrophobicContact CG-CE2 4.11Å; K625-Y714 WeakPolarHBondContact CG-OH 3.32Å; K625-Y714 PolarHBondContact N-O 3.5Å; K625-Y714 PolarHBondContact O-N 3.39Å; K625-Y753 WeakPolarHBondContact CE-OH 3.5Å; K625-Y753 VanDerWaalsContact NZ-CZ 3.34Å; K625-Y753 PolarHBondContact NZ-OH 2.9Å; K625-E770 IonicContact NZ-OE1 3.85Å; K625-E770 PolarHBondContact NZ-OE1 3.07Å; K625-E770 IonicContact NZ-OE2 2.79Å; K625-E770 PolarHBondContact NZ-OE2 3Å
626P80.7Confident84Confident83 Ų8358.3 Ų58.354%0.53930%0.296SS..PPolyproline II helixtrans-72.5163.1177.130.5-35.9000111.6
627D88.9Confident86.1Confident85 Ų8557.3 Ų57.346%0.45529%0.291SS..PPolyproline II helixtrans-61.2138170.7-56.4-6.1000110.4F710 L711 S713D627-F710 HydrophobicContact CB-CE1 3.74Å; D627-F710 HydrophobicContact CB-CE2 4.33Å; D627-F710 HydrophobicContact CB-CZ 3.47Å; D627-F710 VanDerWaalsContact CB-CZ 3.47Å; D627-L711 WeakPolarHBondContact CA-O 3.49Å; D627-S713 WeakPolarHBondContact OD1-CA 3.27Å; D627-S713 WeakPolarHBondContact OD1-CB 3.29Å; D627-S713 PolarHBondContact OD1-N 3.31Å; D627-S713 PolarHBondContact OD1-OG 2.86Å
628Q90.2Very high88.3Confident15 Ų1559.9 Ų59.97%0.0730%0.298CS..EExtended strand (participates in β ladder)trans-156153.3-178.356.2-174.31.200112.4I630 L665 L711Q628-I630 HydrophobicContact CG-CD1 3.9Å; Q628-L665 HydrophobicContact CB-CD1 4.4Å; Q628-L711 HydrophobicContact CG-CB 4.45Å; Q628-L711 PolarHBondContact N-O 3.07Å; Q628-L711 VanDerWaalsContact N-O 3.07Å; Q628-L711 PolarHBondContact O-N 3.2Å
629W96.4Very high89.6Confident66 Ų6658.6 Ų58.625%0.2530%0.295CS..EExtended strand (participates in β ladder)trans-79.1140.8168.6-73.699.2000110.2P693 V694 E697 F710W629-P693 WeakPolarHBondContact O-CA 3.36Å; W629-V694 HydrophobicContact CB-CG2 3.77Å; W629-V694 WeakPolarHBondContact CB-O 3.36Å; W629-V694 WeakPolarHBondContact O-CG2 3.41Å; W629-V694 PolarHBondContact O-N 2.85Å; W629-E697 HydrophobicContact CD2-CB 3.94Å; W629-E697 HydrophobicContact CE3-CB 3.78Å; W629-E697 HydrophobicContact CE3-CG 4.05Å; W629-E697 HydrophobicContact CH2-CB 3.67Å; W629-E697 HydrophobicContact CH2-CG 3.8Å; W629-E697 HydrophobicContact CZ2-CB 3.83Å; W629-E697 HydrophobicContact CZ2-CG 4.46Å; W629-E697 HydrophobicContact CZ3-CB 3.64Å; W629-E697 HydrophobicContact CZ3-CG 3.56Å; W629-F710 AromaticContact CD1-CD2 3.91Å; W629-F710 HydrophobicContact CD2-CB 4.31Å; W629-F710 AromaticContact CD2-CD2 3.81Å; W629-F710 HydrophobicContact CD2-CD2 3.81Å; W629-F710 AromaticContact CE2-CD2 3.59Å; W629-F710 HydrophobicContact CE3-CB 4.12Å; W629-F710 HydrophobicContact CE3-CD2 4.44Å; W629-F710 AromaticContact CG-CD2 4Å; W629-F710 HydrophobicContact CG-CD2 4Å; W629-F710 HydrophobicContact CH2-CB 4.07Å; W629-F710 HydrophobicContact CZ2-CB 4.26Å; W629-F710 HydrophobicContact CZ2-CD2 4.06Å; W629-F710 HydrophobicContact CZ3-CB 3.99Å; W629-F710 AromaticContact NE1-CD2 3.66Å; W629-F710 AromaticContact NE1-CE2 3.96Å
630I96.5Very high90.6Very high0 Ų060 Ų600%030%0.303CS..EExtended strand (participates in β ladder)trans-122.1132.3179.3-61.3-54.2000108.7Q628 F669 P693 S708 Y709 L711Q628-I630 HydrophobicContact CG-CD1 3.9Å; I630-F669 HydrophobicContact CD1-CE1 3.9Å; I630-F669 HydrophobicContact CD1-CZ 4.4Å; I630-F669 HydrophobicContact CG2-CE1 3.97Å; I630-F669 HydrophobicContact CG2-CZ 3.72Å; I630-P693 HydrophobicContact CD1-CB 4.16Å; I630-P693 HydrophobicContact CD1-CG 4.13Å; I630-S708 VanDerWaalsContact O-CA 3.23Å; I630-S708 WeakPolarHBondContact O-CA 3.11Å; I630-Y709 HydrophobicContact CB-CD1 4.29Å; I630-Y709 HydrophobicContact CB-CE1 3.87Å; I630-Y709 HydrophobicContact CB-CE2 4.29Å; I630-Y709 HydrophobicContact CG1-CE2 4.32Å; I630-Y709 HydrophobicContact CG2-CD1 4.42Å; I630-Y709 HydrophobicContact CG2-CE1 3.67Å; I630-Y709 PolarHBondContact N-O 3.35Å; I630-Y709 PolarHBondContact O-N 2.82Å; I630-L711 HydrophobicContact CD1-CB 4.47Å; I630-L711 HydrophobicContact CD1-CD2 4.2Å; I630-L711 HydrophobicContact CG1-CB 3.68Å; I630-L711 HydrophobicContact CG1-CD2 3.98Å; I630-L711 HydrophobicContact CG1-CG 4.49Å
631L97.2Very high91Very high0 Ų060.6 Ų60.60%031%0.307CS..EExtended strand (participates in β ladder)trans-104.9121.4160.6179.968.1000108.3L653 F656 I657 G691 F692 V694 V698 A701 S706 D707L631-L653 HydrophobicContact CD2-CD2 4.44Å; L631-L653 HydrophobicContact CG-CD2 4.31Å; L631-F656 HydrophobicContact CD2-CD1 4.3Å; L631-I657 HydrophobicContact CD2-CD1 3.97Å; L631-I657 HydrophobicContact CD2-CG1 3.63Å; L631-G691 CarbonylContact O-C 3.2Å; L631-G691 WeakPolarHBondContact O-CA 3.33Å; L631-F692 PolarHBondContact N-O 3.43Å; L631-F692 PolarHBondContact O-N 3.44Å; L631-V694 HydrophobicContact CB-CG1 4.37Å; L631-V694 HydrophobicContact CB-CG2 4.47Å; L631-V698 HydrophobicContact CB-CG2 4.24Å; L631-V698 HydrophobicContact CD1-CB 4.05Å; L631-V698 HydrophobicContact CD1-CG1 4.12Å; L631-V698 HydrophobicContact CD1-CG2 4.3Å; L631-V698 HydrophobicContact CD2-CG1 4.5Å; L631-V698 HydrophobicContact CD2-CG2 4.43Å; L631-A701 HydrophobicContact CD1-CB 3.52Å; L631-S706 WeakPolarHBondContact CD1-OG 3.4Å; L631-D707 WeakPolarHBondContact CA-O 3.39Å
632S97Very high91.1Very high1 Ų154.9 Ų54.91%0.00728%0.28CS..EExtended strand (participates in β ladder)trans-150165.7-173.469.10000114E689 V690 S706 D707S632-E689 WeakPolarHBondContact CB-OE1 3.3Å; S632-E689 PolarHBondContact OG-OE1 3.06Å; S632-V690 CarbonylContact C-O 3.58Å; S632-V690 VanDerWaalsContact CA-O 3.25Å; S632-V690 WeakPolarHBondContact CA-O 3.4Å; S632-V690 WeakPolarHBondContact CB-O 3.38Å; S632-S706 CarbonylContact O-C 3.57Å; S632-S706 VanDerWaalsContact O-CA 3.31Å; S632-S706 WeakPolarHBondContact O-CA 3.12Å; S632-S706 WeakPolarHBondContact O-CB 3.39Å; S632-D707 PolarHBondContact N-O 2.89Å; S632-D707 PolarHBondContact O-N 2.87Å
633Q96.7Very high90.7Very high26 Ų2654.2 Ų54.212%0.12129%0.286CS..EExtended strand (participates in β ladder)trans-126.1133.1165.8-168.3169.8-7.300109.5F635 T649 E689 V690 E705Q633-F635 HydrophobicContact CB-CE2 3.77Å; Q633-F635 HydrophobicContact CB-CZ 3.79Å; Q633-F635 VanDerWaalsContact CD-CZ 3.41Å; Q633-F635 HydrophobicContact CG-CE1 3.99Å; Q633-F635 HydrophobicContact CG-CE2 3.77Å; Q633-F635 HydrophobicContact CG-CZ 3.41Å; Q633-F635 VanDerWaalsContact CG-CZ 3.41Å; Q633-F635 WeakPolarHBondContact O-CD2 3.36Å; Q633-F635 VanDerWaalsContact O-CE2 3.3Å; Q633-F635 WeakPolarHBondContact O-CE2 3.48Å; Q633-T649 HydrophobicContact CB-CG2 4.03Å; Q633-E689 WeakPolarHBondContact O-CA 3.39Å; Q633-V690 PolarHBondContact N-O 3.09Å; Q633-V690 PolarHBondContact O-N 2.84Å; Q633-E705 WeakPolarHBondContact CG-O 3.19Å
634T95.7Very high90.5Very high66 Ų6659.5 Ų59.541%0.40531%0.31SS..EExtended strand (participates in β ladder)trans-100.6142.7179-59.70000110.7M688T634-M688 CarbonylContact C-O 3.48Å; T634-M688 WeakPolarHBondContact CA-O 3.48Å
635F95.5Very high90.6Very high40 Ų4055 Ų5518%0.17529%0.289CS..EExtended strand (participates in β ladder)trans-135.5153-177.7-53.9-91.8000111.5Q633 V637 V645 T649 M688 V690Q633-F635 HydrophobicContact CB-CE2 3.77Å; Q633-F635 HydrophobicContact CB-CZ 3.79Å; Q633-F635 VanDerWaalsContact CD-CZ 3.41Å; Q633-F635 HydrophobicContact CG-CE1 3.99Å; Q633-F635 HydrophobicContact CG-CE2 3.77Å; Q633-F635 HydrophobicContact CG-CZ 3.41Å; Q633-F635 VanDerWaalsContact CG-CZ 3.41Å; Q633-F635 WeakPolarHBondContact O-CD2 3.36Å; Q633-F635 VanDerWaalsContact O-CE2 3.3Å; Q633-F635 WeakPolarHBondContact O-CE2 3.48Å; F635-V637 HydrophobicContact CB-CG1 3.85Å; F635-V645 HydrophobicContact CB-CG1 4.5Å; F635-V645 HydrophobicContact CD1-CG1 3.75Å; F635-V645 HydrophobicContact CD2-CG1 3.66Å; F635-V645 HydrophobicContact CE1-CG1 3.75Å; F635-V645 HydrophobicContact CE2-CG1 3.66Å; F635-V645 HydrophobicContact CG-CG1 3.7Å; F635-V645 HydrophobicContact CZ-CG1 3.7Å; F635-T649 HydrophobicContact CE2-CG2 3.97Å; F635-T649 HydrophobicContact CZ-CG2 3.96Å; F635-T649 VanDerWaalsContact CZ-OG1 3.27Å; F635-T649 WeakPolarHBondContact CZ-OG1 3.13Å; F635-M688 HydrophobicContact CB-CG 3.95Å; F635-M688 HydrophobicContact CD2-CG 4.47Å; F635-M688 PolarHBondContact N-O 2.66Å; F635-M688 PolarHBondContact O-N 2.89Å; F635-V690 HydrophobicContact CD2-CG2 4.42Å; F635-V690 HydrophobicContact CE2-CB 4.43Å; F635-V690 HydrophobicContact CE2-CG2 4.17Å
636T95.3Very high90.7Very high95 Ų9555 Ų5558%0.58329%0.29SS*.EExtended strand (participates in β ladder)trans-118.2112.7163.4-55.20000107.9T685 I686T636-T685 HydrophobicContact CG2-CG2 3.64Å; T636-I686 VanDerWaalsContact CA-O 3.31Å; T636-I686 WeakPolarHBondContact CA-O 3.42Å
637V93.4Very high90.9Very high11 Ų1152.6 Ų52.67%0.06728%0.281CS..EExtended strand (participates in β ladder)trans-131.6167.6-170.2-59.60000111.6F635 E641 I642 V645 I686 M688F635-V637 HydrophobicContact CB-CG1 3.85Å; V637-E641 HydrophobicContact CB-CB 4.11Å; V637-I642 HydrophobicContact CG2-CG1 3.94Å; V637-V645 HydrophobicContact CG1-CG2 4.12Å; V637-I686 HydrophobicContact CG2-CB 4.15Å; V637-I686 PolarHBondContact N-O 3.37Å; V637-I686 PolarHBondContact O-N 3.08Å; V637-M688 HydrophobicContact CG1-SD 4.49Å; V637-M688 HydrophobicContact CG2-CG 4.15Å; V637-M688 HydrophobicContact CG2-SD 3.59Å; V637-M688 VanDerWaalsContact CG2-SD 3.59Å
638K90.7Very high91Very high93 Ų9352.5 Ų52.540%0.40429%0.285SS..  trans-89.1159.2161.5-61.2175.3-172.2162.70110.6E640 E641 E683K638-E640 HydrophobicContact CB-CG 3.99Å; K638-E640 HydrophobicContact CD-CG 4.49Å; K638-E640 WeakPolarHBondContact CD-OE1 3.2Å; K638-E640 IonicContact NZ-OE1 3.47Å; K638-E640 PolarHBondContact O-N 2.95Å; K638-E640 VanDerWaalsContact O-N 3.15Å; K638-E641 HydrophobicContact CB-CG 4.33Å; K638-E641 PolarHBondContact N-OE2 2.85Å; K638-E641 WeakPolarHBondContact O-CB 3.24Å; K638-E641 PolarHBondContact O-N 3.44Å; K638-E683 WeakPolarHBondContact CA-O 3.44Å
639V84.1Confident91.2Very high66 Ų6652.2 Ų52.240%0.428%0.284SS..G310 helixtrans-53-38.5178.568.60000113.1E641 I642 E683 I686V639-E641 PolarHBondContact O-N 3.28Å; V639-I642 HydrophobicContact CG2-CD1 4.35Å; V639-I642 PolarHBondContact O-N 2.91Å; V639-E683 HydrophobicContact CB-CB 4.3Å; V639-E683 HydrophobicContact CB-CG 4.44Å; V639-E683 HydrophobicContact CG1-CB 3.95Å; V639-E683 HydrophobicContact CG1-CG 4.19Å; V639-E683 PolarHBondContact N-O 2.83Å; V639-I686 HydrophobicContact CB-CD1 3.89Å; V639-I686 HydrophobicContact CG2-CD1 4.35Å
640E84.5Confident91Very high129 Ų12951 Ų5160%0.60328%0.28SS*.G310 helixtrans-69.1-15.417963.2-160.3-168.700114.5K638K638-E640 HydrophobicContact CB-CG 3.99Å; K638-E640 HydrophobicContact CD-CG 4.49Å; K638-E640 WeakPolarHBondContact CD-OE1 3.2Å; K638-E640 IonicContact NZ-OE1 3.47Å; K638-E640 PolarHBondContact O-N 2.95Å; K638-E640 VanDerWaalsContact O-N 3.15Å
641E89.1Confident90.6Very high72 Ų7258.2 Ų58.234%0.33632%0.316SS..G310 helixtrans-96.4-15.4-178.6-64.3169.2161.200112.2V637 K638 V639 Q644 V645V637-E641 HydrophobicContact CB-CB 4.11Å; K638-E641 HydrophobicContact CB-CG 4.33Å; K638-E641 PolarHBondContact N-OE2 2.85Å; K638-E641 WeakPolarHBondContact O-CB 3.24Å; K638-E641 PolarHBondContact O-N 3.44Å; V639-E641 PolarHBondContact O-N 3.28Å; E641-Q644 WeakPolarHBondContact O-CB 3.28Å; E641-Q644 PolarHBondContact O-N 3.15Å; E641-Q644 VanDerWaalsContact O-N 3.07Å; E641-V645 PolarHBondContact O-N 2.83Å
642I87Confident90.4Very high12 Ų1261.7 Ų61.76%0.06233%0.331CS..Hα-helixtrans-52.1-52.5-176.1-68.1174.2000112.7V637 V639 Q644 V645 I646 Y672 I686 M688V637-I642 HydrophobicContact CG2-CG1 3.94Å; V639-I642 HydrophobicContact CG2-CD1 4.35Å; V639-I642 PolarHBondContact O-N 2.91Å; I642-Q644 PolarHBondContact O-N 3.27Å; I642-Q644 VanDerWaalsContact O-N 3.13Å; I642-V645 PolarHBondContact O-N 2.83Å; I642-I646 HydrophobicContact CG2-CD1 3.46Å; I642-I646 VanDerWaalsContact CG2-CD1 3.46Å; I642-I646 HydrophobicContact CG2-CG1 4.15Å; I642-I646 PolarHBondContact O-N 3.42Å; I642-Y672 HydrophobicContact CD1-CE1 4.14Å; I642-I686 HydrophobicContact CD1-CD1 3.74Å; I642-M688 HydrophobicContact CG1-SD 4.26Å
643P80.1Confident90.3Very high101 Ų10161.7 Ų61.766%0.65633%0.331SS*.Hα-helixtrans-63.5-25-176.7-21.934.6000113.2V645P643-V645 VanDerWaalsContact C-N 3.3Å
644Q85.2Confident89.9Confident144 Ų14461.4 Ų61.467%0.67334%0.335SS*.Hα-helixtrans-80-14.5-179.1-56.2175.424.900112.4E641 I642 P648E641-Q644 WeakPolarHBondContact O-CB 3.28Å; E641-Q644 PolarHBondContact O-N 3.15Å; E641-Q644 VanDerWaalsContact O-N 3.07Å; I642-Q644 PolarHBondContact O-N 3.27Å; I642-Q644 VanDerWaalsContact O-N 3.13Å; Q644-P648 WeakPolarHBondContact O-CG 3.44Å
645V90.8Very high89.6Confident25 Ų2559.9 Ų59.915%0.15233%0.333CS..Hα-helixtrans-102.9-41.2-176.4175.80000112.2F635 V637 E641 I642 P643 T649 M688F635-V645 HydrophobicContact CB-CG1 4.5Å; F635-V645 HydrophobicContact CD1-CG1 3.75Å; F635-V645 HydrophobicContact CD2-CG1 3.66Å; F635-V645 HydrophobicContact CE1-CG1 3.75Å; F635-V645 HydrophobicContact CE2-CG1 3.66Å; F635-V645 HydrophobicContact CG-CG1 3.7Å; F635-V645 HydrophobicContact CZ-CG1 3.7Å; V637-V645 HydrophobicContact CG1-CG2 4.12Å; E641-V645 PolarHBondContact O-N 2.83Å; I642-V645 PolarHBondContact O-N 2.83Å; P643-V645 VanDerWaalsContact C-N 3.3Å; V645-T649 VanDerWaalsContact O-CB 3.25Å; V645-T649 WeakPolarHBondContact O-CB 3.22Å; V645-T649 PolarHBondContact O-N 2.89Å; V645-T649 VanDerWaalsContact O-N 3.12Å; V645-T649 PolarHBondContact O-OG1 2.88Å; V645-M688 HydrophobicContact CG1-CE 4.33Å
646I90Very high89.5Confident24 Ų2458.5 Ų58.512%0.12333%0.327CS..Hα-helixtrans-60.1-60.9-172.6-66.4173.6000111.5I642 T649 F650 V670 M688I642-I646 HydrophobicContact CG2-CD1 3.46Å; I642-I646 VanDerWaalsContact CG2-CD1 3.46Å; I642-I646 HydrophobicContact CG2-CG1 4.15Å; I642-I646 PolarHBondContact O-N 3.42Å; I646-T649 PolarHBondContact O-N 2.92Å; I646-F650 HydrophobicContact CG2-CD2 3.58Å; I646-F650 HydrophobicContact CG2-CE2 3.34Å; I646-F650 HydrophobicContact CG2-CZ 4.32Å; I646-F650 PolarHBondContact O-N 2.85Å; I646-V670 HydrophobicContact CD1-CG1 4.43Å; I646-V670 HydrophobicContact CD1-CG2 3.98Å; I646-V670 HydrophobicContact CG1-CG2 4.03Å; I646-V670 HydrophobicContact CG2-CG2 4Å; I646-M688 HydrophobicContact CD1-CE 4.41Å; I646-M688 HydrophobicContact CG1-CE 3.73Å
647G84.3Confident89.2Confident34 Ų3454.1 Ų54.135%0.35130%0.3SS..Hα-helixtrans-57.6-53.8-175.400000113.5T649 F650 M651G647-T649 VanDerWaalsContact C-N 3.27Å; G647-T649 PolarHBondContact O-N 3.28Å; G647-F650 PolarHBondContact O-N 3.26Å; G647-M651 WeakPolarHBondContact O-CG 3.36Å; G647-M651 PolarHBondContact O-N 2.99Å
648P91.2Very high88.8Confident83 Ų8361.1 Ų61.154%0.53933%0.331SS..Hα-helixtrans-58.7-36.4177.4-28.738.6000113.7Q644 K652Q644-P648 WeakPolarHBondContact O-CG 3.44Å; P648-K652 WeakPolarHBondContact O-CB 3.49Å; P648-K652 PolarHBondContact O-N 3.1Å
649T93.7Very high88.6Confident8 Ų864 Ų645%0.04935%0.346CS..Hα-helixtrans-68.5-45.3177.3-54.80000112Q633 F635 V645 I646 G647 M651 K652 L653 V690Q633-T649 HydrophobicContact CB-CG2 4.03Å; F635-T649 HydrophobicContact CE2-CG2 3.97Å; F635-T649 HydrophobicContact CZ-CG2 3.96Å; F635-T649 VanDerWaalsContact CZ-OG1 3.27Å; F635-T649 WeakPolarHBondContact CZ-OG1 3.13Å; V645-T649 VanDerWaalsContact O-CB 3.25Å; V645-T649 WeakPolarHBondContact O-CB 3.22Å; V645-T649 PolarHBondContact O-N 2.89Å; V645-T649 VanDerWaalsContact O-N 3.12Å; V645-T649 PolarHBondContact O-OG1 2.88Å; I646-T649 PolarHBondContact O-N 2.92Å; G647-T649 VanDerWaalsContact C-N 3.27Å; G647-T649 PolarHBondContact O-N 3.28Å; T649-M651 VanDerWaalsContact C-N 3.29Å; T649-M651 PolarHBondContact O-N 2.77Å; T649-K652 PolarHBondContact O-N 3.19Å; T649-L653 HydrophobicContact CG2-CD1 3.96Å; T649-L653 HydrophobicContact CG2-CG 4.1Å; T649-L653 WeakPolarHBondContact O-CG 3.45Å; T649-L653 PolarHBondContact O-N 2.84Å; T649-V690 HydrophobicContact CG2-CB 3.74Å; T649-V690 HydrophobicContact CG2-CG1 3.8Å; T649-V690 HydrophobicContact CG2-CG2 4.46Å
650F92.4Very high88.7Confident40 Ų4065 Ų6518%0.17535%0.346CS..Hα-helixtrans-59.4-42176-78.2-42.7000112I646 G647 K652 G654 P668 V670 V690 F692I646-F650 HydrophobicContact CG2-CD2 3.58Å; I646-F650 HydrophobicContact CG2-CE2 3.34Å; I646-F650 HydrophobicContact CG2-CZ 4.32Å; I646-F650 PolarHBondContact O-N 2.85Å; G647-F650 PolarHBondContact O-N 3.26Å; F650-K652 PolarHBondContact O-N 3.15Å; F650-G654 WeakPolarHBondContact O-CA 3.22Å; F650-G654 PolarHBondContact O-N 2.76Å; F650-P668 HydrophobicContact CD1-CB 3.72Å; F650-P668 HydrophobicContact CE1-CB 3.24Å; F650-P668 HydrophobicContact CE1-CG 4.48Å; F650-P668 HydrophobicContact CZ-CB 3.8Å; F650-V670 HydrophobicContact CE2-CG2 4.19Å; F650-V670 HydrophobicContact CZ-CG2 3.89Å; F650-V690 HydrophobicContact CD1-CG1 3.48Å; F650-V690 VanDerWaalsContact CD1-CG1 3.48Å; F650-V690 HydrophobicContact CD2-CG1 4.33Å; F650-V690 HydrophobicContact CE1-CG1 3.31Å; F650-V690 HydrophobicContact CE2-CG1 4.21Å; F650-V690 HydrophobicContact CG-CG1 3.99Å; F650-V690 HydrophobicContact CZ-CG1 3.72Å; F650-F692 HydrophobicContact CD1-CD2 4.47Å; F650-F692 AromaticContact CD1-CE2 3.67Å; F650-F692 HydrophobicContact CD1-CE2 3.67Å; F650-F692 HydrophobicContact CD1-CZ 4.03Å; F650-F692 HydrophobicContact CE1-CE2 4.45Å
651M88.3Confident88.7Confident152 Ų15261 Ų6175%0.74934%0.34SS*.Hα-helixtrans-62.6-42.3176.2-69.6-65.7-71.800112.2G647 T649 G655G647-M651 WeakPolarHBondContact O-CG 3.36Å; G647-M651 PolarHBondContact O-N 2.99Å; T649-M651 VanDerWaalsContact C-N 3.29Å; T649-M651 PolarHBondContact O-N 2.77Å; M651-G655 PolarHBondContact O-N 3.46Å
652K93.9Very high88.6Confident74 Ų7458.7 Ų58.732%0.32233%0.33SS..Hα-helixtrans-63.5-52.8177.8-176.1-169.2-173.5-168.50111.7P648 T649 F650 F656 I704 E705P648-K652 WeakPolarHBondContact O-CB 3.49Å; P648-K652 PolarHBondContact O-N 3.1Å; T649-K652 PolarHBondContact O-N 3.19Å; F650-K652 PolarHBondContact O-N 3.15Å; K652-F656 PolarHBondContact O-N 3.25Å; K652-I704 WeakPolarHBondContact CE-O 3.38Å; K652-I704 PolarHBondContact NZ-O 2.82Å; K652-E705 IonicContact NZ-OE2 3.68Å; K652-E705 PolarHBondContact NZ-OE2 3.33Å
653L94.2Very high88.3Confident0 Ų064.3 Ų64.30%036%0.356CS..Hα-helixtrans-66.3-47.1-179.3-63.8-177.3000111.1L631 T649 G655 F656 I657 V690 F692 I704L631-L653 HydrophobicContact CD2-CD2 4.44Å; L631-L653 HydrophobicContact CG-CD2 4.31Å; T649-L653 HydrophobicContact CG2-CD1 3.96Å; T649-L653 HydrophobicContact CG2-CG 4.1Å; T649-L653 WeakPolarHBondContact O-CG 3.45Å; T649-L653 PolarHBondContact O-N 2.84Å; L653-G655 PolarHBondContact O-N 3.41Å; L653-F656 PolarHBondContact O-N 3.43Å; L653-I657 VanDerWaalsContact O-CG1 3.28Å; L653-I657 WeakPolarHBondContact O-CG1 3.36Å; L653-I657 PolarHBondContact O-N 2.85Å; L653-V690 WeakPolarHBondContact CD1-O 3.12Å; L653-F692 HydrophobicContact CB-CD2 3.75Å; L653-F692 HydrophobicContact CB-CE2 3.67Å; L653-F692 HydrophobicContact CD1-CD2 4.09Å; L653-F692 HydrophobicContact CD1-CE2 4.41Å; L653-I704 HydrophobicContact CD2-CD1 3.69Å
654G88.9Confident88.4Confident20 Ų2063 Ų6321%0.20634%0.343CS..Hα-helixtrans-61.4-41.7179.600000112.9F650 F656 I657 Q658F650-G654 WeakPolarHBondContact O-CA 3.22Å; F650-G654 PolarHBondContact O-N 2.76Å; G654-F656 PolarHBondContact O-N 2.85Å; G654-I657 PolarHBondContact O-N 3.15Å; G654-Q658 WeakPolarHBondContact O-CB 3.33Å; G654-Q658 PolarHBondContact O-N 3.09Å
655G89.3Confident87.7Confident35 Ų3560.4 Ų60.436%0.36133%0.333SS..Hα-helixtrans-61.3-42.5174.300000112.7M651 L653 Q658 E659M651-G655 PolarHBondContact O-N 3.46Å; L653-G655 PolarHBondContact O-N 3.41Å; G655-Q658 PolarHBondContact O-N 3.26Å; G655-E659 WeakPolarHBondContact O-CB 3.44Å; G655-E659 PolarHBondContact O-N 3.35Å
656F92.4Very high87Confident11 Ų1161.4 Ų61.45%0.04834%0.341CS..Hα-helixtrans-67.8-42.8177.1-175.2-99.8000112.7L631 K652 L653 G654 Q658 E659 Q660 V698 N700 I704L631-F656 HydrophobicContact CD2-CD1 4.3Å; K652-F656 PolarHBondContact O-N 3.25Å; L653-F656 PolarHBondContact O-N 3.43Å; G654-F656 PolarHBondContact O-N 2.85Å; F656-Q658 VanDerWaalsContact C-N 3.28Å; F656-Q658 PolarHBondContact O-N 3.3Å; F656-E659 PolarHBondContact O-N 2.97Å; F656-Q660 HydrophobicContact CD1-CG 4.09Å; F656-Q660 HydrophobicContact CD2-CG 4.39Å; F656-Q660 HydrophobicContact CE1-CG 3.76Å; F656-Q660 HydrophobicContact CE2-CG 4.09Å; F656-Q660 HydrophobicContact CG-CG 4.4Å; F656-Q660 HydrophobicContact CZ-CG 3.76Å; F656-Q660 WeakPolarHBondContact O-CB 3.01Å; F656-Q660 WeakPolarHBondContact O-CG 3.3Å; F656-Q660 PolarHBondContact O-N 2.94Å; F656-V698 HydrophobicContact CE1-CG1 3.75Å; F656-N700 HydrophobicContact CZ-CB 4.19Å; F656-I704 HydrophobicContact CB-CD1 3.69Å; F656-I704 HydrophobicContact CB-CG2 4.36Å; F656-I704 HydrophobicContact CD1-CD1 3.68Å; F656-I704 HydrophobicContact CD1-CG1 4.36Å; F656-I704 HydrophobicContact CD2-CD1 4.23Å; F656-I704 HydrophobicContact CD2-CG1 4.44Å; F656-I704 HydrophobicContact CD2-CG2 3.54Å; F656-I704 HydrophobicContact CE1-CD1 4.33Å; F656-I704 HydrophobicContact CE2-CG2 3.94Å; F656-I704 HydrophobicContact CG-CD1 3.61Å; F656-I704 HydrophobicContact CG-CG1 4.27Å; F656-I704 HydrophobicContact CG-CG2 4.03Å
657I89.8Confident86.7Confident3 Ų362.9 Ų62.92%0.01535%0.351CS..Hα-helixtrans-56-46.2174.2-72.1168000110.3L631 L653 G654 Q660 G661 I662 I664 F692 V694L631-I657 HydrophobicContact CD2-CD1 3.97Å; L631-I657 HydrophobicContact CD2-CG1 3.63Å; L653-I657 VanDerWaalsContact O-CG1 3.28Å; L653-I657 WeakPolarHBondContact O-CG1 3.36Å; L653-I657 PolarHBondContact O-N 2.85Å; G654-I657 PolarHBondContact O-N 3.15Å; I657-Q660 PolarHBondContact O-N 2.74Å; I657-G661 PolarHBondContact O-N 2.99Å; I657-I662 HydrophobicContact CG2-CB 4.05Å; I657-I662 HydrophobicContact CG2-CG2 4.49Å; I657-I662 VanDerWaalsContact CG2-O 3.24Å; I657-I662 WeakPolarHBondContact CG2-O 3.47Å; I657-I662 PolarHBondContact O-N 2.8Å; I657-I664 HydrophobicContact CD1-CD1 4.49Å; I657-I664 HydrophobicContact CD1-CG1 4.28Å; I657-I664 HydrophobicContact CG2-CD1 3.99Å; I657-I664 HydrophobicContact CG2-CG1 3.68Å; I657-F692 HydrophobicContact CD1-CB 3.58Å; I657-F692 HydrophobicContact CD1-CD1 3.88Å; I657-F692 HydrophobicContact CD1-CD2 3.85Å; I657-F692 HydrophobicContact CD1-CE1 4.49Å; I657-F692 HydrophobicContact CD1-CE2 4.5Å; I657-F692 HydrophobicContact CD1-CG 3.51Å; I657-V694 HydrophobicContact CD1-CG1 4.23Å
658Q84Confident86.9Confident157 Ų15763 Ų6373%0.73435%0.346SS*.Hα-helixtrans-64.3-42.8178.6-1721789.400112.1G654 G655 F656 G661G654-Q658 WeakPolarHBondContact O-CB 3.33Å; G654-Q658 PolarHBondContact O-N 3.09Å; G655-Q658 PolarHBondContact O-N 3.26Å; F656-Q658 VanDerWaalsContact C-N 3.28Å; F656-Q658 PolarHBondContact O-N 3.3Å; Q658-G661 PolarHBondContact O-N 3.24Å
659E87.2Confident87Confident153 Ų15359.1 Ų59.172%0.71532%0.321SS*.Hα-helixtrans-63.3-42.1177.9-175.1176.8-172.900112.2G655 F656 G661G655-E659 WeakPolarHBondContact O-CB 3.44Å; G655-E659 PolarHBondContact O-N 3.35Å; F656-E659 PolarHBondContact O-N 2.97Å; E659-G661 VanDerWaalsContact C-N 3.3Å
660Q86.7Confident87Confident87 Ų8758.8 Ų58.841%0.40732%0.318SS..Hα-helixtrans-80.5-10.8178.9-61.7-58.8-44.100113.1F656 I657 I662F656-Q660 HydrophobicContact CD1-CG 4.09Å; F656-Q660 HydrophobicContact CD2-CG 4.39Å; F656-Q660 HydrophobicContact CE1-CG 3.76Å; F656-Q660 HydrophobicContact CE2-CG 4.09Å; F656-Q660 HydrophobicContact CG-CG 4.4Å; F656-Q660 HydrophobicContact CZ-CG 3.76Å; F656-Q660 WeakPolarHBondContact O-CB 3.01Å; F656-Q660 WeakPolarHBondContact O-CG 3.3Å; F656-Q660 PolarHBondContact O-N 2.94Å; I657-Q660 PolarHBondContact O-N 2.74Å; Q660-I662 VanDerWaalsContact C-N 3.32Å; Q660-I662 HydrophobicContact CB-CD1 3.52Å; Q660-I662 HydrophobicContact CB-CG1 3.77Å; Q660-I662 HydrophobicContact CG-CD1 4.18Å
661G84.8Confident87.2Confident46 Ų4656.9 Ų56.947%0.47431%0.31SS..THydrogen-bonded Turntrans67.830.4-177.700000113.7I657 Q658 E659I657-G661 PolarHBondContact O-N 2.99Å; Q658-G661 PolarHBondContact O-N 3.24Å; E659-G661 VanDerWaalsContact C-N 3.3Å
662I86Confident87.4Confident23 Ų2349.7 Ų49.712%0.11828%0.275CS..PPolyproline II helixtrans-78.5137.3179.2-62.7157.1000108.9I657 Q660 V694 V698I657-I662 HydrophobicContact CG2-CB 4.05Å; I657-I662 HydrophobicContact CG2-CG2 4.49Å; I657-I662 VanDerWaalsContact CG2-O 3.24Å; I657-I662 WeakPolarHBondContact CG2-O 3.47Å; I657-I662 PolarHBondContact O-N 2.8Å; Q660-I662 VanDerWaalsContact C-N 3.32Å; Q660-I662 HydrophobicContact CB-CD1 3.52Å; Q660-I662 HydrophobicContact CB-CG1 3.77Å; Q660-I662 HydrophobicContact CG-CD1 4.18Å; I662-V694 HydrophobicContact CG2-CB 3.85Å; I662-V694 HydrophobicContact CG2-CG1 3.82Å; I662-V698 HydrophobicContact CD1-CB 4.26Å; I662-V698 HydrophobicContact CD1-CG1 3.62Å; I662-V698 HydrophobicContact CD1-CG2 3.71Å; I662-V698 HydrophobicContact CG2-CG2 4.33Å
663Q81.9Confident87.3Confident130 Ų13049.5 Ų49.561%0.60727%0.274SS*.PPolyproline II helixtrans-81.7124.5178-176.9177.62.400111V694 A695Q663-V694 WeakPolarHBondContact O-CA 3.42Å; Q663-A695 HydrophobicContact CB-CB 4.03Å; Q663-A695 PolarHBondContact O-N 3.43Å
664I81.5Confident87.1Confident75 Ų7551.8 Ų51.839%0.38529%0.286SS..BIsolated β-bridgetrans-77.9131.3168.2-61.1170.8000108.3I657 S666 F692 P693I657-I664 HydrophobicContact CD1-CD1 4.49Å; I657-I664 HydrophobicContact CD1-CG1 4.28Å; I657-I664 HydrophobicContact CG2-CD1 3.99Å; I657-I664 HydrophobicContact CG2-CG1 3.68Å; I664-S666 WeakPolarHBondContact CG2-O 3.49Å; I664-F692 HydrophobicContact CD1-CD1 3.69Å; I664-F692 HydrophobicContact CD1-CE1 3.81Å; I664-F692 HydrophobicContact CG1-CD1 4.07Å; I664-F692 HydrophobicContact CG2-CD1 4.21Å; I664-P693 WeakPolarHBondContact CA-O 3.36Å
665L71.6Confident87.1Confident89 Ų8951.5 Ų51.547%0.46628%0.28SS..  trans-88.3-35.4179.6-68.3179.8000113.1Q628 P693 V694 A695Q628-L665 HydrophobicContact CB-CD1 4.4Å; L665-P693 HydrophobicContact CB-CB 4.22Å; L665-P693 PolarHBondContact N-O 3.43Å; L665-V694 WeakPolarHBondContact CD1-O 3.35Å; L665-A695 HydrophobicContact CD2-CB 3.96Å; L665-A695 HydrophobicContact CG-CB 4.37Å
666S75.8Confident87Confident46 Ų4653.5 Ų53.532%0.32228%0.282SS..SBendtrans-158.6-180-176.662.10000112.4I664 P693I664-S666 WeakPolarHBondContact CG2-O 3.49Å; S666-P693 WeakPolarHBondContact OG-CB 3.39Å; S666-P693 VanDerWaalsContact OG-CG 3.28Å; S666-P693 WeakPolarHBondContact OG-CG 3.44Å
667T82.8Confident86.3Confident54 Ų5460.7 Ų60.733%0.33132%0.316SS..  trans-52.4137.9-177.1-48.20000111.6Y753 L755T667-Y753 HydrophobicContact CG2-CD1 4.36Å; T667-Y753 WeakPolarHBondContact O-CD1 3.29Å; T667-L755 HydrophobicContact CG2-CD2 4.09Å
668P88.2Confident85.4Confident38 Ų3864.2 Ų64.225%0.24733%0.334CS..  trans-59.7152.5173.2-17.131.3000110.4F650 G691 F692 Y753F650-P668 HydrophobicContact CD1-CB 3.72Å; F650-P668 HydrophobicContact CE1-CB 3.24Å; F650-P668 HydrophobicContact CE1-CG 4.48Å; F650-P668 HydrophobicContact CZ-CB 3.8Å; P668-G691 WeakPolarHBondContact CA-O 3.38Å; P668-F692 HydrophobicContact CB-CD1 4.04Å; P668-F692 HydrophobicContact CB-CE1 3.87Å; P668-F692 HydrophobicContact CB-CE2 4.31Å; P668-F692 HydrophobicContact CB-CG 4.38Å; P668-F692 HydrophobicContact CB-CZ 3.99Å; P668-F692 HydrophobicContact CG-CD1 3.71Å; P668-F692 HydrophobicContact CG-CE1 3.29Å; P668-F692 HydrophobicContact CG-CZ 3.75Å; P668-Y753 WeakPolarHBondContact O-CD1 3.3Å
669F93.4Very high84.9Confident1 Ų157.4 Ų57.40%0.00431%0.306CS..EExtended strand (participates in β ladder)trans-129.2156.6-176.268.7-91.3000112.4I630 E689 G691 P693 Y751 E752 Y753I630-F669 HydrophobicContact CD1-CE1 3.9Å; I630-F669 HydrophobicContact CD1-CZ 4.4Å; I630-F669 HydrophobicContact CG2-CE1 3.97Å; I630-F669 HydrophobicContact CG2-CZ 3.72Å; F669-E689 HydrophobicContact CE2-CG 4.09Å; F669-E689 HydrophobicContact CZ-CG 4.47Å; F669-G691 WeakPolarHBondContact CD1-O 3.44Å; F669-G691 PolarHBondContact N-O 3.27Å; F669-G691 PolarHBondContact O-N 3Å; F669-P693 HydrophobicContact CD1-CG 4.15Å; F669-P693 HydrophobicContact CE1-CG 4.35Å; F669-Y751 HydrophobicContact CB-CD1 4.48Å; F669-Y751 AromaticContact CD2-CD1 3.61Å; F669-Y751 HydrophobicContact CD2-CD1 3.61Å; F669-Y751 AromaticContact CD2-CE1 3.95Å; F669-Y751 HydrophobicContact CD2-CE1 3.95Å; F669-Y751 HydrophobicContact CE2-CD1 4.05Å; F669-Y751 AromaticContact CE2-CE1 3.88Å; F669-Y751 HydrophobicContact CE2-CE1 3.88Å; F669-Y751 HydrophobicContact CG-CD1 4.11Å; F669-E752 VanDerWaalsContact CA-O 3.3Å; F669-E752 WeakPolarHBondContact CA-O 3.26Å; F669-Y753 HydrophobicContact CB-CD1 3.82Å; F669-Y753 HydrophobicContact CB-CE1 3.51Å; F669-Y753 HydrophobicContact CG-CE1 4.44Å
670V94.7Very high84.5Confident0 Ų051.4 Ų51.40%029%0.286CS..EExtended strand (participates in β ladder)trans-113.5131.7159179.40000107.5I646 F650 Y672 M688 E689 V690 Y751 E752 Y754I646-V670 HydrophobicContact CD1-CG1 4.43Å; I646-V670 HydrophobicContact CD1-CG2 3.98Å; I646-V670 HydrophobicContact CG1-CG2 4.03Å; I646-V670 HydrophobicContact CG2-CG2 4Å; F650-V670 HydrophobicContact CE2-CG2 4.19Å; F650-V670 HydrophobicContact CZ-CG2 3.89Å; V670-Y672 HydrophobicContact CG1-CE1 4.47Å; V670-Y672 HydrophobicContact CG1-CE2 4.1Å; V670-M688 HydrophobicContact CG1-CE 3.98Å; V670-E689 CarbonylContact C-O 3.44Å; V670-E689 WeakPolarHBondContact CA-O 3.45Å; V670-V690 HydrophobicContact CG2-CG2 4.31Å; V670-Y751 CarbonylContact O-C 3.22Å; V670-Y751 WeakPolarHBondContact O-CA 3.15Å; V670-E752 PolarHBondContact N-O 3.4Å; V670-E752 PolarHBondContact O-N 3.42Å; V670-Y754 HydrophobicContact CB-CE2 4.3Å; V670-Y754 HydrophobicContact CG2-CE2 3.74Å
671S95Very high84.2Confident0 Ų049.9 Ų49.90%028%0.28CS..EExtended strand (participates in β ladder)trans-117.1137.1175.9-177.80000110.5M688 E689 S750S671-M688 CarbonylContact O-C 3.58Å; S671-M688 WeakPolarHBondContact O-CA 3.33Å; S671-E689 PolarHBondContact N-O 3.17Å; S671-E689 PolarHBondContact O-N 2.93Å; S671-S750 CarbonylContact C-O 3.56Å; S671-S750 WeakPolarHBondContact CA-O 3.47Å; S671-S750 WeakPolarHBondContact CB-O 3.28Å; S671-S750 PolarHBondContact OG-O 2.9Å
672Y94.1Very high84.3Confident1 Ų151.9 Ų51.90%0.00428%0.28CS..EExtended strand (participates in β ladder)trans-107.2121171.2-61.7-77.2000108.9I642 V670 L681 I686 M688 Y725 I749 S750 E752I642-Y672 HydrophobicContact CD1-CE1 4.14Å; V670-Y672 HydrophobicContact CG1-CE1 4.47Å; V670-Y672 HydrophobicContact CG1-CE2 4.1Å; Y672-L681 HydrophobicContact CD1-CD1 3.97Å; Y672-L681 HydrophobicContact CD1-CD2 4.13Å; Y672-L681 HydrophobicContact CE1-CD1 4.17Å; Y672-L681 HydrophobicContact CG-CD1 4.34Å; Y672-L681 HydrophobicContact CG-CD2 4.3Å; Y672-I686 HydrophobicContact CD1-CG2 3.65Å; Y672-I686 HydrophobicContact CE1-CG2 3.93Å; Y672-M688 HydrophobicContact CD1-CB 4.2Å; Y672-M688 HydrophobicContact CE1-CB 4.29Å; Y672-Y725 PolarHBondContact OH-OH 3.29Å; Y672-Y725 VanDerWaalsContact OH-OH 3.04Å; Y672-I749 WeakPolarHBondContact O-CA 3.44Å; Y672-S750 PolarHBondContact N-O 3.47Å; Y672-S750 PolarHBondContact O-N 2.87Å; Y672-E752 HydrophobicContact CE2-CG 4.33Å
673K90.8Very high84.2Confident71 Ų7157.2 Ų57.231%0.30930%0.304SS..  trans-102.2-11.7-166.8-67.4-174.3175.4176.90115.3E687 E689 G748K673-E687 HydrophobicContact CB-CB 4.26Å; K673-E687 PolarHBondContact N-O 3.07Å; K673-E689 WeakPolarHBondContact CE-OE2 3.46Å; K673-E689 IonicContact NZ-OE2 3.51Å; K673-E689 PolarHBondContact NZ-OE2 3.08Å; K673-G748 CarbonylContact C-O 3.52Å
674N90.8Very high84.3Confident48 Ų4858.9 Ų58.926%0.25731%0.31SS..  trans-127.537.7-173.670.9-30.6000112.6T685 E687N674-T685 PolarHBondContact ND2-O 2.93Å; N674-E687 HydrophobicContact CB-CB 4.18Å; N674-E687 HydrophobicContact CB-CG 4.35Å; N674-E687 PolarHBondContact OD1-N 3.11Å
675M88.9Confident84.8Confident14 Ų1458.2 Ų58.27%0.06931%0.309CS..  trans-69.8141.5173.2-59.7-175.685.300110.3G679 G680 L681 Y732 F746 G748 S750M675-G679 WeakPolarHBondContact CE-O 3.34Å; M675-G680 WeakPolarHBondContact CA-O 3.49Å; M675-L681 HydrophobicContact CG-CD2 3.66Å; M675-L681 HydrophobicContact CG-CG 4.4Å; M675-Y732 HydrophobicContact CE-CD1 3.97Å; M675-Y732 HydrophobicContact CE-CE1 3.69Å; M675-Y732 HydrophobicContact SD-CE1 4.19Å; M675-F746 HydrophobicContact CB-CE1 3.84Å; M675-F746 HydrophobicContact CB-CZ 4.09Å; M675-F746 HydrophobicContact SD-CZ 4.03Å; M675-G748 WeakPolarHBondContact CB-O 3.33Å; M675-G748 PolarHBondContact N-O 2.78Å; M675-G748 WeakPolarHBondContact O-CA 3.27Å; M675-S750 PolarHBondContact SD-OG 2.9Å
676D86.7Confident85.7Confident76 Ų7654 Ų5441%0.40629%0.287SS..  trans-72.1176.7173.975.525.1000112.2N678 G679 G680D676-N678 PolarHBondContact O-N 2.93Å; D676-N678 VanDerWaalsContact OD1-C 3.23Å; D676-N678 VanDerWaalsContact OD1-CA 3.24Å; D676-N678 WeakPolarHBondContact OD1-CA 3.39Å; D676-N678 WeakPolarHBondContact OD1-CB 3.36Å; D676-N678 PolarHBondContact OD1-N 3.31Å; D676-G679 PolarHBondContact O-N 3.18Å; D676-G679 PolarHBondContact OD1-N 3.41Å; D676-G680 PolarHBondContact N-O 3.07Å; D676-G680 PolarHBondContact OD1-N 2.83Å
677E77.6Confident86.6Confident162 Ų16256 Ų5676%0.75729%0.291SS*.THydrogen-bonded Turntrans-63.2-10.9-179.364.1-177.3177.800114.8
678N72Confident87.2Confident77 Ų7753.5 Ų53.541%0.41228%0.276SS..THydrogen-bonded Turntrans-111.48.1175.1-52-64.1000112.2D676 G680 F733 M736D676-N678 PolarHBondContact O-N 2.93Å; D676-N678 VanDerWaalsContact OD1-C 3.23Å; D676-N678 VanDerWaalsContact OD1-CA 3.24Å; D676-N678 WeakPolarHBondContact OD1-CA 3.39Å; D676-N678 WeakPolarHBondContact OD1-CB 3.36Å; D676-N678 PolarHBondContact OD1-N 3.31Å; N678-G680 VanDerWaalsContact C-N 3.28Å; N678-G680 PolarHBondContact O-N 2.97Å; N678-F733 VanDerWaalsContact O-CE1 3.27Å; N678-F733 WeakPolarHBondContact O-CE1 3.24Å; N678-M736 VanDerWaalsContact O-SD 3.34Å
679G71.9Confident87.6Confident14 Ų1451.7 Ų51.714%0.14426%0.264CS..  trans73.713.2-176.600000115.6M675 D676 M736M675-G679 WeakPolarHBondContact CE-O 3.34Å; D676-G679 PolarHBondContact O-N 3.18Å; D676-G679 PolarHBondContact OD1-N 3.41Å; G679-M736 PolarHBondContact N-SD 3.33Å
680G78.5Confident87.7Confident27 Ų2751.6 Ų51.628%0.27826%0.264SS..  trans-66.7138.1170.800000110.7M675 D676 N678M675-G680 WeakPolarHBondContact CA-O 3.49Å; D676-G680 PolarHBondContact N-O 3.07Å; D676-G680 PolarHBondContact OD1-N 2.83Å; N678-G680 VanDerWaalsContact C-N 3.28Å; N678-G680 PolarHBondContact O-N 2.97Å
681L81.9Confident87.8Confident55 Ų5551.6 Ų51.629%0.28826%0.264SS..  trans-96.7138.2167-71171.3000109.3Y672 M675 E683 I686Y672-L681 HydrophobicContact CD1-CD1 3.97Å; Y672-L681 HydrophobicContact CD1-CD2 4.13Å; Y672-L681 HydrophobicContact CE1-CD1 4.17Å; Y672-L681 HydrophobicContact CG-CD1 4.34Å; Y672-L681 HydrophobicContact CG-CD2 4.3Å; M675-L681 HydrophobicContact CG-CD2 3.66Å; M675-L681 HydrophobicContact CG-CG 4.4Å; L681-E683 PolarHBondContact O-N 2.82Å; L681-E683 VanDerWaalsContact O-N 3.09Å; L681-I686 HydrophobicContact CB-CD1 4.24Å; L681-I686 HydrophobicContact CB-CG1 4.27Å; L681-I686 HydrophobicContact CD1-CD1 4.25Å; L681-I686 HydrophobicContact CD2-CG2 4.23Å
682D86Confident87.7Confident88 Ų8852.3 Ų52.347%0.47127%0.267SS..  trans-72101.9165.3-176.7-11.3000108.5K684 T685 I686D682-K684 PolarHBondContact O-N 2.98Å; D682-K684 WeakPolarHBondContact OD1-CB 3.43Å; D682-K684 PolarHBondContact OD1-N 3.37Å; D682-T685 CarbonylContact O-C 3.44Å; D682-T685 VanDerWaalsContact O-C 3.26Å; D682-T685 PolarHBondContact O-N 2.88Å; D682-I686 WeakPolarHBondContact O-CG1 3.32Å
683E83.4Confident87.6Confident136 Ų13652.3 Ų52.364%0.63627%0.267SS*.THydrogen-bonded Turntrans-52.5-19.8-177.8-65.5-179.9176.600114.3K638 V639 L681K638-E683 WeakPolarHBondContact CA-O 3.44Å; V639-E683 HydrophobicContact CB-CB 4.3Å; V639-E683 HydrophobicContact CB-CG 4.44Å; V639-E683 HydrophobicContact CG1-CB 3.95Å; V639-E683 HydrophobicContact CG1-CG 4.19Å; V639-E683 PolarHBondContact N-O 2.83Å; L681-E683 PolarHBondContact O-N 2.82Å; L681-E683 VanDerWaalsContact O-N 3.09Å
684K85.5Confident87.7Confident165 Ų16548.9 Ų48.972%0.71725%0.252SS*.THydrogen-bonded Turntrans-91-19.7178.2-63.4178.1-177.3169.20113.8D682D682-K684 PolarHBondContact O-N 2.98Å; D682-K684 WeakPolarHBondContact OD1-CB 3.43Å; D682-K684 PolarHBondContact OD1-N 3.37Å
685T90.5Very high87.4Confident61 Ų6148.8 Ų48.837%0.37426%0.257SS..  trans-152.882.4-172.3-55.70000109.3T636 N674 D682T636-T685 HydrophobicContact CG2-CG2 3.64Å; N674-T685 PolarHBondContact ND2-O 2.93Å; D682-T685 CarbonylContact O-C 3.44Å; D682-T685 VanDerWaalsContact O-C 3.26Å; D682-T685 PolarHBondContact O-N 2.88Å
686I91.3Very high87.5Confident1 Ų153.8 Ų53.81%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-97.5119177-59.7178.1000108.1T636 V637 V639 I642 Y672 L681 D682 M688T636-I686 VanDerWaalsContact CA-O 3.31Å; T636-I686 WeakPolarHBondContact CA-O 3.42Å; V637-I686 HydrophobicContact CG2-CB 4.15Å; V637-I686 PolarHBondContact N-O 3.37Å; V637-I686 PolarHBondContact O-N 3.08Å; V639-I686 HydrophobicContact CB-CD1 3.89Å; V639-I686 HydrophobicContact CG2-CD1 4.35Å; I642-I686 HydrophobicContact CD1-CD1 3.74Å; Y672-I686 HydrophobicContact CD1-CG2 3.65Å; Y672-I686 HydrophobicContact CE1-CG2 3.93Å; L681-I686 HydrophobicContact CB-CD1 4.24Å; L681-I686 HydrophobicContact CB-CG1 4.27Å; L681-I686 HydrophobicContact CD1-CD1 4.25Å; L681-I686 HydrophobicContact CD2-CG2 4.23Å; D682-I686 WeakPolarHBondContact O-CG1 3.32Å; I686-M688 HydrophobicContact CG2-CB 4.41Å
687E95.1Very high87.9Confident88 Ų8854.9 Ų54.941%0.41128%0.284SS..EExtended strand (participates in β ladder)trans-89110171.6-67.4-178.1-167.100108.7K673 N674K673-E687 HydrophobicContact CB-CB 4.26Å; K673-E687 PolarHBondContact N-O 3.07Å; N674-E687 HydrophobicContact CB-CB 4.18Å; N674-E687 HydrophobicContact CB-CG 4.35Å; N674-E687 PolarHBondContact OD1-N 3.11Å
688M94.9Very high88.6Confident0 Ų047.6 Ų47.60%025%0.25CS..EExtended strand (participates in β ladder)trans-125.8151-177.766177.7-77.300112.7T634 F635 V637 I642 V645 I646 V670 S671 Y672 I686 V690T634-M688 CarbonylContact C-O 3.48Å; T634-M688 WeakPolarHBondContact CA-O 3.48Å; F635-M688 HydrophobicContact CB-CG 3.95Å; F635-M688 HydrophobicContact CD2-CG 4.47Å; F635-M688 PolarHBondContact N-O 2.66Å; F635-M688 PolarHBondContact O-N 2.89Å; V637-M688 HydrophobicContact CG1-SD 4.49Å; V637-M688 HydrophobicContact CG2-CG 4.15Å; V637-M688 HydrophobicContact CG2-SD 3.59Å; V637-M688 VanDerWaalsContact CG2-SD 3.59Å; I642-M688 HydrophobicContact CG1-SD 4.26Å; V645-M688 HydrophobicContact CG1-CE 4.33Å; I646-M688 HydrophobicContact CD1-CE 4.41Å; I646-M688 HydrophobicContact CG1-CE 3.73Å; V670-M688 HydrophobicContact CG1-CE 3.98Å; S671-M688 CarbonylContact O-C 3.58Å; S671-M688 WeakPolarHBondContact O-CA 3.33Å; Y672-M688 HydrophobicContact CD1-CB 4.2Å; Y672-M688 HydrophobicContact CE1-CB 4.29Å; I686-M688 HydrophobicContact CG2-CB 4.41Å; M688-V690 HydrophobicContact CE-CG2 3.48Å; M688-V690 VanDerWaalsContact CE-CG2 3.48Å
689E96.3Very high89.4Confident0 Ų052.1 Ų52.10%027%0.266CS..EExtended strand (participates in β ladder)trans-125.3132.5173.8178.8-173.7170.700109.3S632 Q633 F669 V670 S671 K673 Y709S632-E689 WeakPolarHBondContact CB-OE1 3.3Å; S632-E689 PolarHBondContact OG-OE1 3.06Å; Q633-E689 WeakPolarHBondContact O-CA 3.39Å; F669-E689 HydrophobicContact CE2-CG 4.09Å; F669-E689 HydrophobicContact CZ-CG 4.47Å; V670-E689 CarbonylContact C-O 3.44Å; V670-E689 WeakPolarHBondContact CA-O 3.45Å; S671-E689 PolarHBondContact N-O 3.17Å; S671-E689 PolarHBondContact O-N 2.93Å; K673-E689 WeakPolarHBondContact CE-OE2 3.46Å; K673-E689 IonicContact NZ-OE2 3.51Å; K673-E689 PolarHBondContact NZ-OE2 3.08Å; E689-Y709 VanDerWaalsContact CD-OH 3.25Å; E689-Y709 VanDerWaalsContact OE1-CE1 3.29Å; E689-Y709 WeakPolarHBondContact OE1-CE1 3.44Å; E689-Y709 PolarHBondContact OE1-OH 3.27Å; E689-Y709 PolarHBondContact OE2-OH 3.5Å; E689-Y709 VanDerWaalsContact OE2-OH 3.13Å
690V96.4Very high90.3Very high0 Ų055 Ų550%028%0.278CS..EExtended strand (participates in β ladder)trans-114124.1174-176.20000107.4S632 Q633 F635 T649 F650 L653 V670 M688S632-V690 CarbonylContact C-O 3.58Å; S632-V690 VanDerWaalsContact CA-O 3.25Å; S632-V690 WeakPolarHBondContact CA-O 3.4Å; S632-V690 WeakPolarHBondContact CB-O 3.38Å; Q633-V690 PolarHBondContact N-O 3.09Å; Q633-V690 PolarHBondContact O-N 2.84Å; F635-V690 HydrophobicContact CD2-CG2 4.42Å; F635-V690 HydrophobicContact CE2-CB 4.43Å; F635-V690 HydrophobicContact CE2-CG2 4.17Å; T649-V690 HydrophobicContact CG2-CB 3.74Å; T649-V690 HydrophobicContact CG2-CG1 3.8Å; T649-V690 HydrophobicContact CG2-CG2 4.46Å; F650-V690 HydrophobicContact CD1-CG1 3.48Å; F650-V690 VanDerWaalsContact CD1-CG1 3.48Å; F650-V690 HydrophobicContact CD2-CG1 4.33Å; F650-V690 HydrophobicContact CE1-CG1 3.31Å; F650-V690 HydrophobicContact CE2-CG1 4.21Å; F650-V690 HydrophobicContact CG-CG1 3.99Å; F650-V690 HydrophobicContact CZ-CG1 3.72Å; L653-V690 WeakPolarHBondContact CD1-O 3.12Å; V670-V690 HydrophobicContact CG2-CG2 4.31Å; M688-V690 HydrophobicContact CE-CG2 3.48Å; M688-V690 VanDerWaalsContact CE-CG2 3.48Å
691G95.7Very high91Very high0 Ų053.9 Ų53.90%027%0.266CS..EExtended strand (participates in β ladder)trans-157.6170.1-170.500000116.3L631 P668 F669L631-G691 CarbonylContact O-C 3.2Å; L631-G691 WeakPolarHBondContact O-CA 3.33Å; P668-G691 WeakPolarHBondContact CA-O 3.38Å; F669-G691 WeakPolarHBondContact CD1-O 3.44Å; F669-G691 PolarHBondContact N-O 3.27Å; F669-G691 PolarHBondContact O-N 3Å
692F94.5Very high91.4Very high15 Ų1555.3 Ų55.37%0.06629%0.286CS..EExtended strand (participates in β ladder)trans-123.3130.8177.1-74.4-102.6000109.7L631 F650 L653 I657 I664 P668 V694L631-F692 PolarHBondContact N-O 3.43Å; L631-F692 PolarHBondContact O-N 3.44Å; F650-F692 HydrophobicContact CD1-CD2 4.47Å; F650-F692 AromaticContact CD1-CE2 3.67Å; F650-F692 HydrophobicContact CD1-CE2 3.67Å; F650-F692 HydrophobicContact CD1-CZ 4.03Å; F650-F692 HydrophobicContact CE1-CE2 4.45Å; L653-F692 HydrophobicContact CB-CD2 3.75Å; L653-F692 HydrophobicContact CB-CE2 3.67Å; L653-F692 HydrophobicContact CD1-CD2 4.09Å; L653-F692 HydrophobicContact CD1-CE2 4.41Å; I657-F692 HydrophobicContact CD1-CB 3.58Å; I657-F692 HydrophobicContact CD1-CD1 3.88Å; I657-F692 HydrophobicContact CD1-CD2 3.85Å; I657-F692 HydrophobicContact CD1-CE1 4.49Å; I657-F692 HydrophobicContact CD1-CE2 4.5Å; I657-F692 HydrophobicContact CD1-CG 3.51Å; I664-F692 HydrophobicContact CD1-CD1 3.69Å; I664-F692 HydrophobicContact CD1-CE1 3.81Å; I664-F692 HydrophobicContact CG1-CD1 4.07Å; I664-F692 HydrophobicContact CG2-CD1 4.21Å; P668-F692 HydrophobicContact CB-CD1 4.04Å; P668-F692 HydrophobicContact CB-CE1 3.87Å; P668-F692 HydrophobicContact CB-CE2 4.31Å; P668-F692 HydrophobicContact CB-CG 4.38Å; P668-F692 HydrophobicContact CB-CZ 3.99Å; P668-F692 HydrophobicContact CG-CD1 3.71Å; P668-F692 HydrophobicContact CG-CE1 3.29Å; P668-F692 HydrophobicContact CG-CZ 3.75Å; F692-V694 HydrophobicContact CB-CG1 4.32Å
693P92Very high91.6Very high0 Ų057.4 Ų57.40%029%0.293CS..EExtended strand (participates in β ladder)trans-70128164-23.239.1000110.5W629 I630 I664 L665 S666 F669W629-P693 WeakPolarHBondContact O-CA 3.36Å; I630-P693 HydrophobicContact CD1-CB 4.16Å; I630-P693 HydrophobicContact CD1-CG 4.13Å; I664-P693 WeakPolarHBondContact CA-O 3.36Å; L665-P693 HydrophobicContact CB-CB 4.22Å; L665-P693 PolarHBondContact N-O 3.43Å; S666-P693 WeakPolarHBondContact OG-CB 3.39Å; S666-P693 VanDerWaalsContact OG-CG 3.28Å; S666-P693 WeakPolarHBondContact OG-CG 3.44Å; F669-P693 HydrophobicContact CD1-CG 4.15Å; F669-P693 HydrophobicContact CE1-CG 4.35Å
694V92.5Very high92Very high0 Ų052.2 Ų52.20%027%0.269CS..EExtended strand (participates in β ladder)trans-130.3156.2-174.1-66.70000111.5W629 L631 I657 I662 Q663 L665 F692 E696 V698W629-V694 HydrophobicContact CB-CG2 3.77Å; W629-V694 WeakPolarHBondContact CB-O 3.36Å; W629-V694 WeakPolarHBondContact O-CG2 3.41Å; W629-V694 PolarHBondContact O-N 2.85Å; L631-V694 HydrophobicContact CB-CG1 4.37Å; L631-V694 HydrophobicContact CB-CG2 4.47Å; I657-V694 HydrophobicContact CD1-CG1 4.23Å; I662-V694 HydrophobicContact CG2-CB 3.85Å; I662-V694 HydrophobicContact CG2-CG1 3.82Å; Q663-V694 WeakPolarHBondContact O-CA 3.42Å; L665-V694 WeakPolarHBondContact CD1-O 3.35Å; F692-V694 HydrophobicContact CB-CG1 4.32Å; V694-E696 VanDerWaalsContact C-N 3.31Å; V694-E696 WeakPolarHBondContact CG2-O 3.42Å; V694-E696 PolarHBondContact O-N 3.11Å; V694-V698 HydrophobicContact CG2-CG2 4.1Å
695A84.4Confident92.3Very high45 Ų4551.3 Ų51.337%0.37227%0.268SS..SBendtrans-70.9-24.6-17400000114.1Q663 L665Q663-A695 HydrophobicContact CB-CB 4.03Å; Q663-A695 PolarHBondContact O-N 3.43Å; L665-A695 HydrophobicContact CD2-CB 3.96Å; L665-A695 HydrophobicContact CG-CB 4.37Å
696E90.5Very high92.5Very high120 Ų12048.6 Ų48.656%0.56125%0.251SS*.SBendtrans-150.6167.3-172.361.9-176.9169.200112.3V694 V698V694-E696 VanDerWaalsContact C-N 3.31Å; V694-E696 WeakPolarHBondContact CG2-O 3.42Å; V694-E696 PolarHBondContact O-N 3.11Å; E696-V698 PolarHBondContact O-N 3.39Å
697E94.8Very high92.7Very high99 Ų9953.4 Ų53.446%0.46328%0.277SS..  trans-64.5126.6176.7-174.4-177-165.200112W629 K699W629-E697 HydrophobicContact CD2-CB 3.94Å; W629-E697 HydrophobicContact CE3-CB 3.78Å; W629-E697 HydrophobicContact CE3-CG 4.05Å; W629-E697 HydrophobicContact CH2-CB 3.67Å; W629-E697 HydrophobicContact CH2-CG 3.8Å; W629-E697 HydrophobicContact CZ2-CB 3.83Å; W629-E697 HydrophobicContact CZ2-CG 4.46Å; W629-E697 HydrophobicContact CZ3-CB 3.64Å; W629-E697 HydrophobicContact CZ3-CG 3.56Å; E697-K699 PolarHBondContact O-N 2.83Å
698V93Very high92.8Very high9 Ų950.5 Ų50.56%0.05527%0.266CS..  trans-89.889.1177-172.70000110.1L631 F656 I662 V694 E696 N700 A701 S708L631-V698 HydrophobicContact CB-CG2 4.24Å; L631-V698 HydrophobicContact CD1-CB 4.05Å; L631-V698 HydrophobicContact CD1-CG1 4.12Å; L631-V698 HydrophobicContact CD1-CG2 4.3Å; L631-V698 HydrophobicContact CD2-CG1 4.5Å; L631-V698 HydrophobicContact CD2-CG2 4.43Å; F656-V698 HydrophobicContact CE1-CG1 3.75Å; I662-V698 HydrophobicContact CD1-CB 4.26Å; I662-V698 HydrophobicContact CD1-CG1 3.62Å; I662-V698 HydrophobicContact CD1-CG2 3.71Å; I662-V698 HydrophobicContact CG2-CG2 4.33Å; V694-V698 HydrophobicContact CG2-CG2 4.1Å; E696-V698 PolarHBondContact O-N 3.39Å; V698-N700 PolarHBondContact O-N 2.82Å; V698-N700 VanDerWaalsContact O-N 3.08Å; V698-A701 HydrophobicContact CB-CB 4.45Å; V698-A701 HydrophobicContact CG1-CB 4.33Å; V698-A701 WeakPolarHBondContact O-CB 3.34Å; V698-A701 PolarHBondContact O-N 2.82Å; V698-A701 VanDerWaalsContact O-N 3.15Å; V698-S708 PolarHBondContact N-OG 2.88Å; V698-S708 WeakPolarHBondContact O-CB 3.38Å
699K89.2Confident92.9Very high172 Ų17253.8 Ų53.875%0.74828%0.279SS*.THydrogen-bonded Turntrans-58.1-25.7-173.9-65.3-177.1-178.7174.10115.2E697E697-K699 PolarHBondContact O-N 2.83Å
700N91Very high92.8Very high74 Ų7458.5 Ų58.540%0.39630%0.3SS..THydrogen-bonded Turntrans-104.917.1-176-64.28.6000112.9F656 V698 A702 E703F656-N700 HydrophobicContact CZ-CB 4.19Å; V698-N700 PolarHBondContact O-N 2.82Å; V698-N700 VanDerWaalsContact O-N 3.08Å; N700-A702 PolarHBondContact O-N 3.19Å; N700-E703 HydrophobicContact CB-CG 4.32Å; N700-E703 PolarHBondContact ND2-OE1 2.75Å; N700-E703 WeakPolarHBondContact O-CB 3.47Å; N700-E703 PolarHBondContact O-N 2.89Å
701A91.2Very high92.7Very high4 Ų459.5 Ų59.53%0.03331%0.305CS..G310 helixtrans-52.4-32.3-179.200000113.8L631 V698 E703 I704 S706L631-A701 HydrophobicContact CD1-CB 3.52Å; V698-A701 HydrophobicContact CB-CB 4.45Å; V698-A701 HydrophobicContact CG1-CB 4.33Å; V698-A701 WeakPolarHBondContact O-CB 3.34Å; V698-A701 PolarHBondContact O-N 2.82Å; V698-A701 VanDerWaalsContact O-N 3.15Å; A701-E703 PolarHBondContact O-N 3.2Å; A701-I704 WeakPolarHBondContact O-CG1 3.43Å; A701-I704 PolarHBondContact O-N 2.99Å; A701-S706 CarbonylContact C-O 3.4Å; A701-S706 WeakPolarHBondContact CA-OG 3.41Å; A701-S706 WeakPolarHBondContact CB-O 3.49Å; A701-S706 WeakPolarHBondContact CB-OG 3.37Å; A701-S706 PolarHBondContact O-N 2.85Å; A701-S706 PolarHBondContact O-OG 2.85Å
702A91.6Very high92.5Very high84 Ų8463.3 Ų63.369%0.69433%0.33SS*.G310 helixtrans-63.5-22178.900000114.1N700 I704 E705 S706N700-A702 PolarHBondContact O-N 3.19Å; A702-I704 PolarHBondContact O-N 3.31Å; A702-E705 PolarHBondContact O-N 2.66Å; A702-S706 PolarHBondContact N-O 3.38Å
703E90.1Very high92.3Very high133 Ų13365.6 Ų65.662%0.62135%0.347SS*.G310 helixtrans-63.7-23.6177.6-67.5-179.3-176.200112.6N700 A701N700-E703 HydrophobicContact CB-CG 4.32Å; N700-E703 PolarHBondContact ND2-OE1 2.75Å; N700-E703 WeakPolarHBondContact O-CB 3.47Å; N700-E703 PolarHBondContact O-N 2.89Å; A701-E703 PolarHBondContact O-N 3.2Å
704I91.1Very high92.4Very high26 Ų2666.8 Ų66.813%0.13335%0.352CS..G310 helixtrans-116.826.5179.360.6160.7000111.9K652 L653 F656 A701 A702 S706K652-I704 WeakPolarHBondContact CE-O 3.38Å; K652-I704 PolarHBondContact NZ-O 2.82Å; L653-I704 HydrophobicContact CD2-CD1 3.69Å; F656-I704 HydrophobicContact CB-CD1 3.69Å; F656-I704 HydrophobicContact CB-CG2 4.36Å; F656-I704 HydrophobicContact CD1-CD1 3.68Å; F656-I704 HydrophobicContact CD1-CG1 4.36Å; F656-I704 HydrophobicContact CD2-CD1 4.23Å; F656-I704 HydrophobicContact CD2-CG1 4.44Å; F656-I704 HydrophobicContact CD2-CG2 3.54Å; F656-I704 HydrophobicContact CE1-CD1 4.33Å; F656-I704 HydrophobicContact CE2-CG2 3.94Å; F656-I704 HydrophobicContact CG-CD1 3.61Å; F656-I704 HydrophobicContact CG-CG1 4.27Å; F656-I704 HydrophobicContact CG-CG2 4.03Å; A701-I704 WeakPolarHBondContact O-CG1 3.43Å; A701-I704 PolarHBondContact O-N 2.99Å; A702-I704 PolarHBondContact O-N 3.31Å; I704-S706 WeakPolarHBondContact CD1-OG 3.34Å; I704-S706 WeakPolarHBondContact CG1-OG 3.49Å; I704-S706 PolarHBondContact O-N 2.89Å
705E92.8Very high92.5Very high147 Ų14771.2 Ų71.269%0.68737%0.371SS*.THydrogen-bonded Turntrans53.538.5179.1-53.9171.6158.700112.9Q633 K652 A702Q633-E705 WeakPolarHBondContact CG-O 3.19Å; K652-E705 IonicContact NZ-OE2 3.68Å; K652-E705 PolarHBondContact NZ-OE2 3.33Å; A702-E705 PolarHBondContact O-N 2.66Å
706S95.2Very high92.9Very high4 Ų469.1 Ų69.13%0.02835%0.354CS..  trans-125162.6-177.874.20000110.9L631 S632 A701 A702 I704L631-S706 WeakPolarHBondContact CD1-OG 3.4Å; S632-S706 CarbonylContact O-C 3.57Å; S632-S706 VanDerWaalsContact O-CA 3.31Å; S632-S706 WeakPolarHBondContact O-CA 3.12Å; S632-S706 WeakPolarHBondContact O-CB 3.39Å; A701-S706 CarbonylContact C-O 3.4Å; A701-S706 WeakPolarHBondContact CA-OG 3.41Å; A701-S706 WeakPolarHBondContact CB-O 3.49Å; A701-S706 WeakPolarHBondContact CB-OG 3.37Å; A701-S706 PolarHBondContact O-N 2.85Å; A701-S706 PolarHBondContact O-OG 2.85Å; A702-S706 PolarHBondContact N-O 3.38Å; I704-S706 WeakPolarHBondContact CD1-OG 3.34Å; I704-S706 WeakPolarHBondContact CG1-OG 3.49Å; I704-S706 PolarHBondContact O-N 2.89Å
707D95.3Very high93.1Very high102 Ų10263.5 Ų63.555%0.54533%0.327SS..EExtended strand (participates in β ladder)trans-112.5141.9178.1-66.7-55000110.5L631 S632L631-D707 WeakPolarHBondContact CA-O 3.39Å; S632-D707 PolarHBondContact N-O 2.89Å; S632-D707 PolarHBondContact O-N 2.87Å
708S96.3Very high92.9Very high26 Ų2659.5 Ų59.518%0.18231%0.311CS..EExtended strand (participates in β ladder)trans-114120.9168.6176.20000109.4I630 V698I630-S708 VanDerWaalsContact O-CA 3.23Å; I630-S708 WeakPolarHBondContact O-CA 3.11Å; V698-S708 PolarHBondContact N-OG 2.88Å; V698-S708 WeakPolarHBondContact O-CB 3.38Å
709Y96.5Very high92.7Very high69 Ų6959.4 Ų59.427%0.27131%0.31SS..EExtended strand (participates in β ladder)trans-146160.9-178.270.5-86.9000112.1I630 E689 L711I630-Y709 HydrophobicContact CB-CD1 4.29Å; I630-Y709 HydrophobicContact CB-CE1 3.87Å; I630-Y709 HydrophobicContact CB-CE2 4.29Å; I630-Y709 HydrophobicContact CG1-CE2 4.32Å; I630-Y709 HydrophobicContact CG2-CD1 4.42Å; I630-Y709 HydrophobicContact CG2-CE1 3.67Å; I630-Y709 PolarHBondContact N-O 3.35Å; I630-Y709 PolarHBondContact O-N 2.82Å; E689-Y709 VanDerWaalsContact CD-OH 3.25Å; E689-Y709 VanDerWaalsContact OE1-CE1 3.29Å; E689-Y709 WeakPolarHBondContact OE1-CE1 3.44Å; E689-Y709 PolarHBondContact OE1-OH 3.27Å; E689-Y709 PolarHBondContact OE2-OH 3.5Å; E689-Y709 VanDerWaalsContact OE2-OH 3.13Å; Y709-L711 HydrophobicContact CE2-CB 3.96Å; Y709-L711 HydrophobicContact CE2-CD1 4.11Å
710F95Very high92.3Very high100 Ų10053.8 Ų53.844%0.43929%0.289SS..EExtended strand (participates in β ladder)trans-91.7114.7177.2-165.4-109000109.4D627 W629 P712D627-F710 HydrophobicContact CB-CE1 3.74Å; D627-F710 HydrophobicContact CB-CE2 4.33Å; D627-F710 HydrophobicContact CB-CZ 3.47Å; D627-F710 VanDerWaalsContact CB-CZ 3.47Å; W629-F710 AromaticContact CD1-CD2 3.91Å; W629-F710 HydrophobicContact CD2-CB 4.31Å; W629-F710 AromaticContact CD2-CD2 3.81Å; W629-F710 HydrophobicContact CD2-CD2 3.81Å; W629-F710 AromaticContact CE2-CD2 3.59Å; W629-F710 HydrophobicContact CE3-CB 4.12Å; W629-F710 HydrophobicContact CE3-CD2 4.44Å; W629-F710 AromaticContact CG-CD2 4Å; W629-F710 HydrophobicContact CG-CD2 4Å; W629-F710 HydrophobicContact CH2-CB 4.07Å; W629-F710 HydrophobicContact CZ2-CB 4.26Å; W629-F710 HydrophobicContact CZ2-CD2 4.06Å; W629-F710 HydrophobicContact CZ3-CB 3.99Å; W629-F710 AromaticContact NE1-CD2 3.66Å; W629-F710 AromaticContact NE1-CE2 3.96Å; F710-P712 WeakPolarHBondContact O-CD 3.28Å
711L93.3Very high91.9Very high20 Ų2051.2 Ų51.211%0.10527%0.273CS..EExtended strand (participates in β ladder)trans-88.5114.9177.1-177.862.3000108.9D627 Q628 I630 Y709 Y714D627-L711 WeakPolarHBondContact CA-O 3.49Å; Q628-L711 HydrophobicContact CG-CB 4.45Å; Q628-L711 PolarHBondContact N-O 3.07Å; Q628-L711 VanDerWaalsContact N-O 3.07Å; Q628-L711 PolarHBondContact O-N 3.2Å; I630-L711 HydrophobicContact CD1-CB 4.47Å; I630-L711 HydrophobicContact CD1-CD2 4.2Å; I630-L711 HydrophobicContact CG1-CB 3.68Å; I630-L711 HydrophobicContact CG1-CD2 3.98Å; I630-L711 HydrophobicContact CG1-CG 4.49Å; Y709-L711 HydrophobicContact CE2-CB 3.96Å; Y709-L711 HydrophobicContact CE2-CD1 4.11Å; L711-Y714 HydrophobicContact CD2-CE1 3.86Å; L711-Y714 HydrophobicContact CG-CE1 4.29Å
712P92.6Very high91.2Very high81 Ų8153 Ų5353%0.52628%0.284SS..  trans-67.6157.8175.6-17.432000111.6F710F710-P712 WeakPolarHBondContact O-CD 3.28Å
713S90.5Very high90.6Very high62 Ų6249.4 Ų49.443%0.43426%0.255SS..  trans-56.8142.3173.940.80000112.5K625 D627K625-S713 WeakPolarHBondContact O-CA 3.25Å; K625-S713 WeakPolarHBondContact O-CB 3.3Å; D627-S713 WeakPolarHBondContact OD1-CA 3.27Å; D627-S713 WeakPolarHBondContact OD1-CB 3.29Å; D627-S713 PolarHBondContact OD1-N 3.31Å; D627-S713 PolarHBondContact OD1-OG 2.86Å
714Y93.2Very high90.1Very high26 Ų2646.6 Ų46.610%0.10224%0.239CC..EExtended strand (participates in β ladder)trans-142.2154.8179.659.2-97.4000110.8M624 K625 L711 A716 Y751 E770 V772M624-Y714 CarbonylContact C-O 3.57Å; M624-Y714 WeakPolarHBondContact CA-O 3.37Å; K625-Y714 HydrophobicContact CB-CD1 3.95Å; K625-Y714 HydrophobicContact CB-CD2 3.93Å; K625-Y714 HydrophobicContact CB-CE1 3.61Å; K625-Y714 HydrophobicContact CB-CE2 3.57Å; K625-Y714 HydrophobicContact CB-CG 4.12Å; K625-Y714 VanDerWaalsContact CB-CZ 3.42Å; K625-Y714 HydrophobicContact CD-CE2 4.5Å; K625-Y714 HydrophobicContact CG-CE1 3.76Å; K625-Y714 HydrophobicContact CG-CE2 4.11Å; K625-Y714 WeakPolarHBondContact CG-OH 3.32Å; K625-Y714 PolarHBondContact N-O 3.5Å; K625-Y714 PolarHBondContact O-N 3.39Å; L711-Y714 HydrophobicContact CD2-CE1 3.86Å; L711-Y714 HydrophobicContact CG-CE1 4.29Å; Y714-A716 HydrophobicContact CD2-CB 4Å; Y714-A716 HydrophobicContact CE2-CB 3.87Å; Y714-Y751 HydrophobicContact CE1-CE2 4.07Å; Y714-Y751 HydrophobicContact CE2-CD2 4.26Å; Y714-Y751 HydrophobicContact CE2-CE2 4.1Å; Y714-Y751 AromaticContact CZ-CD2 3.96Å; Y714-Y751 AromaticContact CZ-CE2 3.63Å; Y714-Y751 WeakPolarHBondContact OH-CD2 3.29Å; Y714-Y751 WeakPolarHBondContact OH-CE2 3.45Å; Y714-E770 PolarHBondContact OH-OE2 3.26Å; Y714-V772 HydrophobicContact CD2-CG1 4.29Å; Y714-V772 HydrophobicContact CD2-CG2 3.76Å; Y714-V772 HydrophobicContact CE2-CG2 3.89Å; Y714-V772 HydrophobicContact CG-CG2 4.42Å
715K94.6Very high89.4Confident93 Ų9349.4 Ų49.440%0.40425%0.248SC..EExtended strand (participates in β ladder)trans-85.6136.5169.5-64.6178.5-173.1169.90109.2I623 M624 V772 Y773I623-K715 WeakPolarHBondContact O-CA 3.47Å; M624-K715 HydrophobicContact CE-CG 3.82Å; M624-K715 HydrophobicContact SD-CG 3.87Å; K715-V772 WeakPolarHBondContact O-CA 3.37Å; K715-Y773 HydrophobicContact CB-CE1 4.21Å; K715-Y773 HydrophobicContact CB-CE2 4.22Å; K715-Y773 HydrophobicContact CD-CE2 4.2Å; K715-Y773 PolarHBondContact O-N 3.49Å; K715-Y773 VanDerWaalsContact O-N 3.12Å
716A94.1Very high88.5Confident0 Ų048.1 Ų48.10%025%0.246CC..EExtended strand (participates in β ladder)trans-141.215217200000110.8I623 Y714 E770 L771I623-A716 HydrophobicContact CD1-CB 4.23Å; I623-A716 HydrophobicContact CG1-CB 3.95Å; I623-A716 VanDerWaalsContact CG1-O 3.27Å; I623-A716 WeakPolarHBondContact CG1-O 3.25Å; I623-A716 PolarHBondContact N-O 2.86Å; I623-A716 PolarHBondContact O-N 3.06Å; Y714-A716 HydrophobicContact CD2-CB 4Å; Y714-A716 HydrophobicContact CE2-CB 3.87Å; A716-E770 HydrophobicContact CB-CB 4.06Å; A716-L771 CarbonylContact C-O 3.54Å; A716-L771 VanDerWaalsContact CA-O 3.23Å; A716-L771 WeakPolarHBondContact CA-O 3.48Å
717L93.6Very high87.7Confident2 Ų252.3 Ų52.31%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-90.2122.7163.7-165.475.1000106.6F620 E621 Q622 M735 E738 I739 E770 L771 Y773F620-L717 HydrophobicContact CB-CD1 3.93Å; F620-L717 HydrophobicContact CB-CD2 3.98Å; F620-L717 HydrophobicContact CB-CG 3.99Å; F620-L717 HydrophobicContact CD1-CD2 4.38Å; F620-L717 HydrophobicContact CG-CD2 4.06Å; E621-L717 CarbonylContact O-C 3.57Å; E621-L717 WeakPolarHBondContact O-CA 3.34Å; Q622-L717 HydrophobicContact CG-CD1 3.82Å; L717-M735 HydrophobicContact CB-CE 4.32Å; L717-M735 HydrophobicContact CD2-CB 4.02Å; L717-M735 HydrophobicContact CD2-CG 4.34Å; L717-M735 VanDerWaalsContact CD2-O 3.26Å; L717-M735 WeakPolarHBondContact CD2-O 3.32Å; L717-M735 HydrophobicContact CG-CE 4.36Å; L717-M735 WeakPolarHBondContact O-CE 3.44Å; L717-E738 HydrophobicContact CD2-CB 3.73Å; L717-E738 HydrophobicContact CD2-CG 4.12Å; L717-I739 HydrophobicContact CB-CD1 4.14Å; L717-I739 HydrophobicContact CB-CG1 3.93Å; L717-I739 HydrophobicContact CD2-CG1 3.98Å; L717-E770 CarbonylContact O-C 3.39Å; L717-E770 WeakPolarHBondContact O-CA 3.18Å; L717-L771 PolarHBondContact N-O 3.49Å; L717-L771 PolarHBondContact O-N 3.05Å; L717-Y773 HydrophobicContact CB-CD1 4.35Å; L717-Y773 HydrophobicContact CB-CE1 4.25Å
718S91.7Very high86.9Confident16 Ų1647.7 Ų47.711%0.11224%0.243CC..EExtended strand (participates in β ladder)trans-106.9142.1-178.5-1710000110.8F620 E621 M769F620-S718 CarbonylContact C-O 3.5Å; F620-S718 WeakPolarHBondContact CA-O 3.4Å; E621-S718 PolarHBondContact N-O 3.41Å; E621-S718 PolarHBondContact O-N 3.43Å; S718-M769 CarbonylContact C-O 3.59Å; S718-M769 VanDerWaalsContact CA-O 3.28Å; S718-M769 WeakPolarHBondContact CA-O 3.43Å
719A87.1Confident86.1Confident6 Ų650.4 Ų50.45%0.0526%0.259CS..EExtended strand (participates in β ladder)trans-142.8143.3173.400000110.2F620 M735 I768 M769F620-A719 HydrophobicContact CD1-CB 3.89Å; F620-A719 HydrophobicContact CE1-CB 4.17Å; A719-M735 HydrophobicContact CB-CE 3.68Å; A719-M735 HydrophobicContact CB-CG 4.25Å; A719-M735 HydrophobicContact CB-SD 3.57Å; A719-M735 VanDerWaalsContact CB-SD 3.57Å; A719-I768 CarbonylContact O-C 3.53Å; A719-I768 WeakPolarHBondContact O-CA 3.06Å; A719-M769 PolarHBondContact N-O 2.87Å; A719-M769 PolarHBondContact O-N 2.92Å
720L82.7Confident85.1Confident55 Ų5554.1 Ų54.129%0.28828%0.278SS..EExtended strand (participates in β ladder)trans-88.7124.3163.5-179.965.2000108.1I616 V722 L755 E766 I768I616-L720 HydrophobicContact CG2-CD2 4.39Å; L720-V722 HydrophobicContact CD2-CG2 4.48Å; L720-V722 HydrophobicContact CG-CG2 4.27Å; L720-L755 HydrophobicContact CD1-CD1 3.91Å; L720-E766 HydrophobicContact CD1-CB 4.25Å; L720-I768 HydrophobicContact CD1-CG1 3.97Å
721Y81.7Confident84.5Confident20 Ų2049.9 Ų49.98%0.07826%0.261CS..EExtended strand (participates in β ladder)trans-107.6138171.2174.2-105.4000109.6G723 R724 D727 M728 P731 E766 T767 M769Y721-G723 WeakPolarHBondContact CE1-O 3.27Å; Y721-R724 WeakPolarHBondContact CE1-O 3.49Å; Y721-R724 PolarHBondContact OH-O 3.39Å; Y721-D727 WeakPolarHBondContact OH-CB 3.29Å; Y721-M728 HydrophobicContact CD1-CG 3.51Å; Y721-M728 HydrophobicContact CD1-SD 3.69Å; Y721-M728 HydrophobicContact CE1-CG 3.35Å; Y721-M728 HydrophobicContact CE1-SD 4.1Å; Y721-M728 HydrophobicContact CG-CG 4.26Å; Y721-M728 HydrophobicContact CG-SD 4.43Å; Y721-P731 HydrophobicContact CD2-CB 4.22Å; Y721-P731 HydrophobicContact CD2-CG 3.32Å; Y721-P731 HydrophobicContact CE2-CG 3.49Å; Y721-P731 VanDerWaalsContact CE2-CG 3.49Å; Y721-P731 HydrophobicContact CG-CG 4.15Å; Y721-E766 CarbonylContact O-C 3.58Å; Y721-E766 WeakPolarHBondContact O-CA 3.38Å; Y721-T767 PolarHBondContact N-O 2.91Å; Y721-T767 PolarHBondContact O-N 3.45Å; Y721-M769 HydrophobicContact CG-SD 4.38Å
722V77.4Confident84.2Confident42 Ų4249.9 Ų49.926%0.25526%0.26SS..EExtended strand (participates in β ladder)trans-128.5113174.7-176.70000108.8I616 L720 Q765 E766I616-V722 HydrophobicContact CG2-CB 3.98Å; I616-V722 HydrophobicContact CG2-CG2 3.32Å; L720-V722 HydrophobicContact CD2-CG2 4.48Å; L720-V722 HydrophobicContact CG-CG2 4.27Å; V722-Q765 VanDerWaalsContact CA-O 3.3Å; V722-Q765 WeakPolarHBondContact CA-O 3.45Å; V722-E766 HydrophobicContact CG1-CG 4.39Å; V722-E766 HydrophobicContact CG2-CB 4.4Å; V722-E766 HydrophobicContact CG2-CG 3.88Å
723G78.5Confident83.8Confident8 Ų851.1 Ų51.18%0.08226%0.257CS..SBendtrans156.2-173.6-176.100000112.9Y721 E762 Q765Y721-G723 WeakPolarHBondContact CE1-O 3.27Å; G723-E762 CarbonylContact C-O 3.46Å; G723-Q765 PolarHBondContact N-O 3.06Å
724R79.6Confident83.5Confident74 Ų7449.3 Ų49.328%0.27925%0.246SC..  trans-67.9139.6-178.8-57171.662.476.316.2109.5Y721 D726 D727 E762 E763Y721-R724 WeakPolarHBondContact CE1-O 3.49Å; Y721-R724 PolarHBondContact OH-O 3.39Å; R724-D726 VanDerWaalsContact C-N 3.29Å; R724-D726 IonicContact NH2-OD2 3.15Å; R724-D726 PolarHBondContact O-N 2.94Å; R724-D727 HydrophobicContact CB-CB 4.5Å; R724-D727 PolarHBondContact O-N 2.76Å; R724-D727 VanDerWaalsContact O-N 3.09Å; R724-E762 VanDerWaalsContact CA-O 3.32Å; R724-E762 WeakPolarHBondContact CA-O 3.24Å; R724-E762 HydrophobicContact CG-CB 4.01Å; R724-E762 IonicContact CZ-OE2 2.55Å; R724-E762 PolarHBondContact N-O 3.43Å; R724-E762 VanDerWaalsContact N-O 3.14Å; R724-E762 IonicContact NH1-OE2 3.76Å; R724-E762 PolarHBondContact NH1-OE2 3.49Å; R724-E762 IonicContact NH2-OE2 3.64Å; R724-E762 PolarHBondContact NH2-OE2 3.17Å; R724-E763 HydrophobicContact CG-CG 4.13Å; R724-E763 IonicContact NH1-OE1 3.61Å; R724-E763 PolarHBondContact NH1-OE1 3.23Å; R724-E763 VanDerWaalsContact NH1-OE1 3.14Å
725Y75.7Confident83.4Confident84 Ų8448 Ų4833%0.32924%0.241SC..G310 helixtrans-57-41.8177-177.5-92.4000112.5Y672 D727 M728 E752 Y754Y672-Y725 PolarHBondContact OH-OH 3.29Å; Y672-Y725 VanDerWaalsContact OH-OH 3.04Å; Y725-D727 PolarHBondContact O-N 2.94Å; Y725-M728 HydrophobicContact CD2-CE 3.46Å; Y725-M728 VanDerWaalsContact CD2-CE 3.46Å; Y725-M728 HydrophobicContact CD2-SD 4.36Å; Y725-M728 HydrophobicContact CE2-CE 3.3Å; Y725-M728 HydrophobicContact CG-CE 4.34Å; Y725-M728 WeakPolarHBondContact O-CB 3.46Å; Y725-M728 WeakPolarHBondContact O-CG 2.92Å; Y725-M728 PolarHBondContact O-N 3.3Å; Y725-M728 VanDerWaalsContact O-N 3.08Å; Y725-E752 WeakPolarHBondContact CE2-OE2 3.49Å; Y725-Y754 HydrophobicContact CD2-CE1 4.14Å; Y725-Y754 HydrophobicContact CE2-CE1 4.05Å
726D74Confident83.1Confident121 Ų12143.9 Ų43.965%0.64722%0.223SC*.G310 helixtrans-59.4-20.5179-62.6-29.4000113.6R724R724-D726 VanDerWaalsContact C-N 3.29Å; R724-D726 IonicContact NH2-OD2 3.15Å; R724-D726 PolarHBondContact O-N 2.94Å
727D78.6Confident82.7Confident91 Ų9148 Ų4849%0.48725%0.245SC..G310 helixtrans-97.83.5-177.1-62.2-34.8000112.9Y721 R724 Y725 T729Y721-D727 WeakPolarHBondContact OH-CB 3.29Å; R724-D727 HydrophobicContact CB-CB 4.5Å; R724-D727 PolarHBondContact O-N 2.76Å; R724-D727 VanDerWaalsContact O-N 3.09Å; Y725-D727 PolarHBondContact O-N 2.94Å; D727-T729 PolarHBondContact O-N 2.95Å
728M79.5Confident82.5Confident6 Ų650.4 Ų50.43%0.0326%0.256CS..THydrogen-bonded Turntrans-67.6-6.1-178.3-73.1-153.9-49.300115.3Y721 Y725 E730 P731 Y732 E752 T767 M769Y721-M728 HydrophobicContact CD1-CG 3.51Å; Y721-M728 HydrophobicContact CD1-SD 3.69Å; Y721-M728 HydrophobicContact CE1-CG 3.35Å; Y721-M728 HydrophobicContact CE1-SD 4.1Å; Y721-M728 HydrophobicContact CG-CG 4.26Å; Y721-M728 HydrophobicContact CG-SD 4.43Å; Y725-M728 HydrophobicContact CD2-CE 3.46Å; Y725-M728 VanDerWaalsContact CD2-CE 3.46Å; Y725-M728 HydrophobicContact CD2-SD 4.36Å; Y725-M728 HydrophobicContact CE2-CE 3.3Å; Y725-M728 HydrophobicContact CG-CE 4.34Å; Y725-M728 WeakPolarHBondContact O-CB 3.46Å; Y725-M728 WeakPolarHBondContact O-CG 2.92Å; Y725-M728 PolarHBondContact O-N 3.3Å; Y725-M728 VanDerWaalsContact O-N 3.08Å; M728-E730 VanDerWaalsContact C-N 3.34Å; M728-E730 PolarHBondContact O-N 3.44Å; M728-P731 VanDerWaalsContact O-CD 3.27Å; M728-P731 WeakPolarHBondContact O-CD 3.39Å; M728-Y732 HydrophobicContact CB-CD2 4.45Å; M728-Y732 HydrophobicContact CE-CE2 4.42Å; M728-Y732 WeakPolarHBondContact O-CD2 3.33Å; M728-Y732 PolarHBondContact O-N 2.93Å; M728-E752 WeakPolarHBondContact CE-OE1 3.36Å; M728-T767 HydrophobicContact SD-CG2 4.13Å; M728-M769 HydrophobicContact CB-CE 4.48Å; M728-M769 HydrophobicContact SD-CE 4.37Å; M728-M769 HydrophobicContact SD-CG 4.4Å; M728-M769 HydrophobicContact SD-SD 4.06Å
729T78.5Confident82.5Confident83 Ų8349.8 Ų49.851%0.50925%0.251SS..Hα-helixtrans-59.8-41.9179.9-58.90000112.3D727 Y732 F733D727-T729 PolarHBondContact O-N 2.95Å; T729-Y732 PolarHBondContact O-N 3.39Å; T729-F733 HydrophobicContact CG2-CD2 3.99Å; T729-F733 HydrophobicContact CG2-CE2 3.41Å; T729-F733 VanDerWaalsContact CG2-CE2 3.41Å; T729-F733 HydrophobicContact CG2-CZ 3.99Å; T729-F733 WeakPolarHBondContact O-CD2 3.34Å; T729-F733 PolarHBondContact O-N 2.97Å
730E75.3Confident82.6Confident146 Ų14655.1 Ų55.168%0.68227%0.274SS*.Hα-helixtrans-66-47.2179.9-71.6-174.4173.600113.1M728 Y732 F733 A734M728-E730 VanDerWaalsContact C-N 3.34Å; M728-E730 PolarHBondContact O-N 3.44Å; E730-Y732 PolarHBondContact O-N 2.93Å; E730-F733 PolarHBondContact O-N 3.35Å; E730-A734 PolarHBondContact O-N 3.22Å
731P82.8Confident82.9Confident11 Ų1159.4 Ų59.47%0.07129%0.29CS..Hα-helixtrans-52.2-46.4171-28.430.1000114.2Y721 M728 F733 A734 M735 M769Y721-P731 HydrophobicContact CD2-CB 4.22Å; Y721-P731 HydrophobicContact CD2-CG 3.32Å; Y721-P731 HydrophobicContact CE2-CG 3.49Å; Y721-P731 VanDerWaalsContact CE2-CG 3.49Å; Y721-P731 HydrophobicContact CG-CG 4.15Å; M728-P731 VanDerWaalsContact O-CD 3.27Å; M728-P731 WeakPolarHBondContact O-CD 3.39Å; P731-F733 PolarHBondContact O-N 3.43Å; P731-A734 PolarHBondContact O-N 3.46Å; P731-M735 VanDerWaalsContact O-CG 3.31Å; P731-M735 WeakPolarHBondContact O-CG 3.37Å; P731-M735 PolarHBondContact O-N 3.21Å; P731-M769 HydrophobicContact CB-CE 4.06Å; P731-M769 HydrophobicContact CB-SD 3.75Å
732Y85.8Confident83.2Confident20 Ų2061.2 Ų61.28%0.07830%0.3CS..Hα-helixtrans-57.1-47.3178-92.6-69.9000112.1M675 M728 T729 E730 A734 M735 M736 S750 E752 M769 L771M675-Y732 HydrophobicContact CE-CD1 3.97Å; M675-Y732 HydrophobicContact CE-CE1 3.69Å; M675-Y732 HydrophobicContact SD-CE1 4.19Å; M728-Y732 HydrophobicContact CB-CD2 4.45Å; M728-Y732 HydrophobicContact CE-CE2 4.42Å; M728-Y732 WeakPolarHBondContact O-CD2 3.33Å; M728-Y732 PolarHBondContact O-N 2.93Å; T729-Y732 PolarHBondContact O-N 3.39Å; E730-Y732 PolarHBondContact O-N 2.93Å; Y732-A734 PolarHBondContact O-N 2.89Å; Y732-M735 PolarHBondContact O-N 2.88Å; Y732-M736 HydrophobicContact CD1-CE 4.02Å; Y732-M736 HydrophobicContact CG-CE 4.48Å; Y732-M736 WeakPolarHBondContact O-CE 3.47Å; Y732-M736 WeakPolarHBondContact O-CG 3.42Å; Y732-M736 PolarHBondContact O-N 3.17Å; Y732-S750 PolarHBondContact OH-OG 2.94Å; Y732-E752 PolarHBondContact OH-OE1 3.09Å; Y732-M769 HydrophobicContact CD1-CE 3.92Å; Y732-M769 HydrophobicContact CD2-CE 3.19Å; Y732-M769 HydrophobicContact CE1-CE 3.87Å; Y732-M769 HydrophobicContact CE2-CE 3.14Å; Y732-M769 HydrophobicContact CG-CE 3.58Å; Y732-M769 VanDerWaalsContact CZ-CE 3.49Å; Y732-L771 HydrophobicContact CD1-CD1 3.83Å; Y732-L771 HydrophobicContact CD1-CD2 4.13Å; Y732-L771 HydrophobicContact CD1-CG 4.22Å; Y732-L771 HydrophobicContact CE1-CD1 3.77Å; Y732-L771 HydrophobicContact CE1-CG 4.23Å
733F84.4Confident83.8Confident108 Ų10862.5 Ų62.547%0.47432%0.322SS..Hα-helixtrans-62.8-42.1177-70-41.9000112.4N678 T729 E730 P731 M735 M736 D737N678-F733 VanDerWaalsContact O-CE1 3.27Å; N678-F733 WeakPolarHBondContact O-CE1 3.24Å; T729-F733 HydrophobicContact CG2-CD2 3.99Å; T729-F733 HydrophobicContact CG2-CE2 3.41Å; T729-F733 VanDerWaalsContact CG2-CE2 3.41Å; T729-F733 HydrophobicContact CG2-CZ 3.99Å; T729-F733 WeakPolarHBondContact O-CD2 3.34Å; T729-F733 PolarHBondContact O-N 2.97Å; E730-F733 PolarHBondContact O-N 3.35Å; P731-F733 PolarHBondContact O-N 3.43Å; F733-M735 PolarHBondContact O-N 3.16Å; F733-M736 PolarHBondContact O-N 3.46Å; F733-D737 PolarHBondContact O-N 3.48Å
734A85.5Confident84.4Confident23 Ų2362.8 Ų62.819%0.1933%0.325CS..Hα-helixtrans-64.3-40.3179.400000112M618 F620 E730 P731 Y732 D737 E738M618-A734 HydrophobicContact CE-CB 4.37Å; F620-A734 HydrophobicContact CE2-CB 4.38Å; F620-A734 HydrophobicContact CZ-CB 3.66Å; E730-A734 PolarHBondContact O-N 3.22Å; P731-A734 PolarHBondContact O-N 3.46Å; Y732-A734 PolarHBondContact O-N 2.89Å; A734-D737 PolarHBondContact O-N 2.98Å; A734-E738 PolarHBondContact O-N 3.5Å
735M90.5Very high84.9Confident0 Ų066.5 Ų66.50%034%0.343CS..Hα-helixtrans-64.5-40.9174.8-70.3-179.780.800112.1F620 L717 A719 P731 Y732 F733 E738 I739 M769 L771F620-M735 HydrophobicContact CD1-CG 3.68Å; F620-M735 HydrophobicContact CE1-CB 4.4Å; F620-M735 HydrophobicContact CE1-CG 3.34Å; F620-M735 HydrophobicContact CZ-CG 4.11Å; L717-M735 HydrophobicContact CB-CE 4.32Å; L717-M735 HydrophobicContact CD2-CB 4.02Å; L717-M735 HydrophobicContact CD2-CG 4.34Å; L717-M735 VanDerWaalsContact CD2-O 3.26Å; L717-M735 WeakPolarHBondContact CD2-O 3.32Å; L717-M735 HydrophobicContact CG-CE 4.36Å; L717-M735 WeakPolarHBondContact O-CE 3.44Å; A719-M735 HydrophobicContact CB-CE 3.68Å; A719-M735 HydrophobicContact CB-CG 4.25Å; A719-M735 HydrophobicContact CB-SD 3.57Å; A719-M735 VanDerWaalsContact CB-SD 3.57Å; P731-M735 VanDerWaalsContact O-CG 3.31Å; P731-M735 WeakPolarHBondContact O-CG 3.37Å; P731-M735 PolarHBondContact O-N 3.21Å; Y732-M735 PolarHBondContact O-N 2.88Å; F733-M735 PolarHBondContact O-N 3.16Å; M735-E738 PolarHBondContact O-N 2.91Å; M735-I739 WeakPolarHBondContact O-CG1 3.46Å; M735-I739 PolarHBondContact O-N 2.95Å; M735-M769 HydrophobicContact CE-CB 4.36Å; M735-M769 WeakPolarHBondContact CE-O 3.42Å; M735-M769 HydrophobicContact SD-CB 3.93Å; M735-M769 HydrophobicContact SD-SD 4.5Å; M735-L771 HydrophobicContact CB-CD1 4.03Å; M735-L771 HydrophobicContact CB-CD2 3.89Å; M735-L771 HydrophobicContact CE-CD1 3.53Å; M735-L771 HydrophobicContact CG-CD1 4.41Å; M735-L771 HydrophobicContact SD-CD1 3.5Å; M735-L771 VanDerWaalsContact SD-CD1 3.5Å
736M87.4Confident85.7Confident5 Ų563.8 Ų63.83%0.02533%0.333CS..Hα-helixtrans-66.9-40.1176.3-74171.5-140.600113.3N678 G679 Y732 F733 E738 I739 K740 L771N678-M736 VanDerWaalsContact O-SD 3.34Å; G679-M736 PolarHBondContact N-SD 3.33Å; Y732-M736 HydrophobicContact CD1-CE 4.02Å; Y732-M736 HydrophobicContact CG-CE 4.48Å; Y732-M736 WeakPolarHBondContact O-CE 3.47Å; Y732-M736 WeakPolarHBondContact O-CG 3.42Å; Y732-M736 PolarHBondContact O-N 3.17Å; F733-M736 PolarHBondContact O-N 3.46Å; M736-E738 PolarHBondContact O-N 2.72Å; M736-I739 PolarHBondContact O-N 3.48Å; M736-K740 WeakPolarHBondContact O-CG 3.21Å; M736-K740 PolarHBondContact O-N 2.98Å; M736-L771 HydrophobicContact CE-CD2 3.88Å; M736-L771 HydrophobicContact CG-CD2 3.64Å
737D87.1Confident86.6Confident87 Ų8760.2 Ų60.247%0.46532%0.318SS..Hα-helixtrans-62.9-35.7174.3-83.4-7.7000111.1F733 A734 K740 K741F733-D737 PolarHBondContact O-N 3.48Å; A734-D737 PolarHBondContact O-N 2.98Å; D737-K740 PolarHBondContact O-N 3.42Å; D737-K740 IonicContact OD1-NZ 2.73Å; D737-K741 VanDerWaalsContact O-CG 3.32Å; D737-K741 WeakPolarHBondContact O-CG 3.28Å; D737-K741 PolarHBondContact O-N 3.46Å
738E89.6Confident87.2Confident53 Ų5356.4 Ų56.425%0.24830%0.3CS..Hα-helixtrans-69.1-42.6173.8-161.365.3-158.900112.4F620 L717 A734 M735 M736 K740 K741 I742F620-E738 HydrophobicContact CB-CG 4.4Å; F620-E738 HydrophobicContact CD2-CB 3.72Å; F620-E738 HydrophobicContact CD2-CG 3.64Å; F620-E738 HydrophobicContact CE2-CB 4.03Å; F620-E738 HydrophobicContact CE2-CG 4.36Å; F620-E738 HydrophobicContact CG-CB 4.46Å; F620-E738 HydrophobicContact CG-CG 4.34Å; L717-E738 HydrophobicContact CD2-CB 3.73Å; L717-E738 HydrophobicContact CD2-CG 4.12Å; A734-E738 PolarHBondContact O-N 3.5Å; M735-E738 PolarHBondContact O-N 2.91Å; M736-E738 PolarHBondContact O-N 2.72Å; E738-K740 VanDerWaalsContact C-N 3.26Å; E738-K740 PolarHBondContact O-N 2.94Å; E738-K741 WeakPolarHBondContact O-CB 3.39Å; E738-K741 PolarHBondContact O-N 2.95Å; E738-K741 WeakPolarHBondContact OE2-CD 3.41Å; E738-K741 IonicContact OE2-NZ 3.75Å; E738-K741 PolarHBondContact OE2-NZ 3.3Å; E738-I742 WeakPolarHBondContact O-CG1 3.28Å; E738-I742 PolarHBondContact O-N 3.39Å
739I90.5Very high87.9Confident2 Ų258.6 Ų58.61%0.0131%0.311CS..Hα-helixtrans-54.5-44.2172-71.9166.9000110.5L717 M735 M736 I742 G743 G744 F746 L771 Y773L717-I739 HydrophobicContact CB-CD1 4.14Å; L717-I739 HydrophobicContact CB-CG1 3.93Å; L717-I739 HydrophobicContact CD2-CG1 3.98Å; M735-I739 WeakPolarHBondContact O-CG1 3.46Å; M735-I739 PolarHBondContact O-N 2.95Å; M736-I739 PolarHBondContact O-N 3.48Å; I739-I742 WeakPolarHBondContact O-CG1 3.49Å; I739-I742 PolarHBondContact O-N 3.13Å; I739-G743 PolarHBondContact O-N 3.39Å; I739-G744 WeakPolarHBondContact CG2-O 3.49Å; I739-G744 PolarHBondContact O-N 2.98Å; I739-F746 HydrophobicContact CD1-CD2 4.41Å; I739-L771 HydrophobicContact CD1-CB 3.65Å; I739-L771 HydrophobicContact CD1-CD2 4.09Å; I739-Y773 HydrophobicContact CD1-CD1 4.34Å; I739-Y773 HydrophobicContact CG1-CD1 4.13Å; I739-Y773 HydrophobicContact CG1-CG 4.34Å; I739-Y773 HydrophobicContact CG2-CG 4.22Å
740K89.1Confident88.7Confident119 Ų11954.6 Ų54.652%0.51729%0.287SS..Hα-helixtrans-63.6-40.6176-70.8169.3-171.4163.50112.2M736 D737 E738 I742 G743M736-K740 WeakPolarHBondContact O-CG 3.21Å; M736-K740 PolarHBondContact O-N 2.98Å; D737-K740 PolarHBondContact O-N 3.42Å; D737-K740 IonicContact OD1-NZ 2.73Å; E738-K740 VanDerWaalsContact C-N 3.26Å; E738-K740 PolarHBondContact O-N 2.94Å; K740-I742 VanDerWaalsContact C-N 3.35Å; K740-I742 PolarHBondContact O-N 3.17Å; K740-G743 PolarHBondContact O-N 2.78Å; K740-G743 VanDerWaalsContact O-N 3.15Å
741K88.6Confident89.6Confident145 Ų14548.2 Ų48.263%0.6326%0.256SS*.Hα-helixtrans-65-35.9178.7-74.8176.7-140.7153.40112.8D737 E738 G743D737-K741 VanDerWaalsContact O-CG 3.32Å; D737-K741 WeakPolarHBondContact O-CG 3.28Å; D737-K741 PolarHBondContact O-N 3.46Å; E738-K741 WeakPolarHBondContact O-CB 3.39Å; E738-K741 PolarHBondContact O-N 2.95Å; E738-K741 WeakPolarHBondContact OE2-CD 3.41Å; E738-K741 IonicContact OE2-NZ 3.75Å; E738-K741 PolarHBondContact OE2-NZ 3.3Å; K741-G743 PolarHBondContact O-N 2.79Å
742I89.5Confident90.1Very high57 Ų5747.8 Ų47.829%0.29225%0.253SS..THydrogen-bonded Turntrans-82.11.517667.2174.2000112.9Q622 E738 I739 K740 G744 Y773Q622-I742 HydrophobicContact CG-CD1 3.92Å; E738-I742 WeakPolarHBondContact O-CG1 3.28Å; E738-I742 PolarHBondContact O-N 3.39Å; I739-I742 WeakPolarHBondContact O-CG1 3.49Å; I739-I742 PolarHBondContact O-N 3.13Å; K740-I742 VanDerWaalsContact C-N 3.35Å; K740-I742 PolarHBondContact O-N 3.17Å; I742-G744 VanDerWaalsContact C-N 3.33Å; I742-Y773 HydrophobicContact CD1-CE1 4.21Å; I742-Y773 HydrophobicContact CD1-CE2 3.85Å
743G89.9Confident90.3Very high69 Ų6947.2 Ų47.271%0.71125%0.251SS*.THydrogen-bonded Turntrans77.614.1178.500000114.7I739 K740 K741I739-G743 PolarHBondContact O-N 3.39Å; K740-G743 PolarHBondContact O-N 2.78Å; K740-G743 VanDerWaalsContact O-N 3.15Å; K741-G743 PolarHBondContact O-N 2.79Å
744G89.7Confident90.2Very high15 Ų1545 Ų4516%0.15524%0.24CC..  trans-83.5161175.500000112.5I739 I742 E774I739-G744 WeakPolarHBondContact CG2-O 3.49Å; I739-G744 PolarHBondContact O-N 2.98Å; I742-G744 VanDerWaalsContact C-N 3.33Å; G744-E774 VanDerWaalsContact CA-O 3.31Å; G744-E774 WeakPolarHBondContact CA-O 3.38Å
745K91.9Very high89.7Confident152 Ų15247.5 Ų47.566%0.66125%0.25SC*.  trans-116.1121.4171.8-173.5-174.6174.3-165.90110.2S747 Y773 E774K745-S747 PolarHBondContact O-N 3.13Å; K745-Y773 CarbonylContact O-C 3.57Å; K745-Y773 VanDerWaalsContact O-CA 3.24Å; K745-Y773 WeakPolarHBondContact O-CA 3.32Å; K745-Y773 WeakPolarHBondContact O-CB 3.31Å; K745-E774 PolarHBondContact N-O 3.4Å; K745-E774 PolarHBondContact O-N 2.9Å
746F92.7Very high88.7Confident26 Ų2648.8 Ų48.811%0.11426%0.259CS..EExtended strand (participates in β ladder)trans-57.9133.2174.8179.8-123.7000110.8M675 I739 G748 I749 L771 V772M675-F746 HydrophobicContact CB-CE1 3.84Å; M675-F746 HydrophobicContact CB-CZ 4.09Å; M675-F746 HydrophobicContact SD-CZ 4.03Å; I739-F746 HydrophobicContact CD1-CD2 4.41Å; F746-G748 VanDerWaalsContact CE1-CA 3.44Å; F746-I749 VanDerWaalsContact CE2-O 3.27Å; F746-I749 WeakPolarHBondContact CE2-O 3.48Å; F746-L771 HydrophobicContact CD2-CB 3.98Å; F746-L771 HydrophobicContact CD2-CD2 4.18Å; F746-L771 HydrophobicContact CD2-CG 4.29Å; F746-L771 HydrophobicContact CE2-CB 3.79Å; F746-L771 HydrophobicContact CE2-CD2 4.03Å; F746-L771 HydrophobicContact CE2-CG 3.82Å; F746-V772 VanDerWaalsContact CD2-O 3.22Å; F746-V772 WeakPolarHBondContact CD2-O 3.23Å
747S91.9Very high87.7Confident47 Ų4754.5 Ų54.533%0.32929%0.29SS..EExtended strand (participates in β ladder)trans-84.6-10.8-173.970.50000114K745 I749 V772K745-S747 PolarHBondContact O-N 3.13Å; S747-I749 PolarHBondContact OG-N 3.18Å; S747-V772 PolarHBondContact N-O 2.88Å; S747-V772 VanDerWaalsContact OG-CB 3.29Å; S747-V772 WeakPolarHBondContact OG-CB 3.14Å; S747-V772 WeakPolarHBondContact OG-CG1 3.29Å; S747-V772 PolarHBondContact OG-O 3.28Å
748G92Very high86.6Confident10 Ų1059.3 Ų59.310%0.10331%0.309CS..EExtended strand (participates in β ladder)trans90.11.7-170.400000113.9K673 M675 F746K673-G748 CarbonylContact C-O 3.52Å; M675-G748 WeakPolarHBondContact CB-O 3.33Å; M675-G748 PolarHBondContact N-O 2.78Å; M675-G748 WeakPolarHBondContact O-CA 3.27Å; F746-G748 VanDerWaalsContact CE1-CA 3.44Å
749I94Very high85.3Confident52 Ų5265.5 Ų65.527%0.26734%0.338SS..EExtended strand (participates in β ladder)trans-112.1127.3-178.9-55.1174.6000110.3Y672 F746 S747 Y751 V772Y672-I749 WeakPolarHBondContact O-CA 3.44Å; F746-I749 VanDerWaalsContact CE2-O 3.27Å; F746-I749 WeakPolarHBondContact CE2-O 3.48Å; S747-I749 PolarHBondContact OG-N 3.18Å; I749-Y751 HydrophobicContact CG2-CD2 4.37Å; I749-Y751 HydrophobicContact CG2-CE2 3.78Å; I749-V772 HydrophobicContact CB-CB 4.28Å; I749-V772 HydrophobicContact CB-CG2 4.22Å; I749-V772 HydrophobicContact CG2-CG2 4.16Å; I749-V772 PolarHBondContact O-N 3.05Å
750S94.3Very high84.1Confident0 Ų068.4 Ų68.40%035%0.353CS..EExtended strand (participates in β ladder)trans-119.7155.6166.469.40000112S671 Y672 M675 Y732 E770S671-S750 CarbonylContact C-O 3.56Å; S671-S750 WeakPolarHBondContact CA-O 3.47Å; S671-S750 WeakPolarHBondContact CB-O 3.28Å; S671-S750 PolarHBondContact OG-O 2.9Å; Y672-S750 PolarHBondContact N-O 3.47Å; Y672-S750 PolarHBondContact O-N 2.87Å; M675-S750 PolarHBondContact SD-OG 2.9Å; Y732-S750 PolarHBondContact OH-OG 2.94Å; S750-E770 CarbonylContact C-O 3.54Å; S750-E770 VanDerWaalsContact CA-O 3.24Å; S750-E770 WeakPolarHBondContact CA-O 3.3Å
751Y94.1Very high83.4Confident11 Ų1165.7 Ų65.74%0.04335%0.348CS..EExtended strand (participates in β ladder)trans-123.1135.7168.6-63.2-91.7000109.5F669 V670 Y714 I749 M769 E770 V772F669-Y751 HydrophobicContact CB-CD1 4.48Å; F669-Y751 AromaticContact CD2-CD1 3.61Å; F669-Y751 HydrophobicContact CD2-CD1 3.61Å; F669-Y751 AromaticContact CD2-CE1 3.95Å; F669-Y751 HydrophobicContact CD2-CE1 3.95Å; F669-Y751 HydrophobicContact CE2-CD1 4.05Å; F669-Y751 AromaticContact CE2-CE1 3.88Å; F669-Y751 HydrophobicContact CE2-CE1 3.88Å; F669-Y751 HydrophobicContact CG-CD1 4.11Å; V670-Y751 CarbonylContact O-C 3.22Å; V670-Y751 WeakPolarHBondContact O-CA 3.15Å; Y714-Y751 HydrophobicContact CE1-CE2 4.07Å; Y714-Y751 HydrophobicContact CE2-CD2 4.26Å; Y714-Y751 HydrophobicContact CE2-CE2 4.1Å; Y714-Y751 AromaticContact CZ-CD2 3.96Å; Y714-Y751 AromaticContact CZ-CE2 3.63Å; Y714-Y751 WeakPolarHBondContact OH-CD2 3.29Å; Y714-Y751 WeakPolarHBondContact OH-CE2 3.45Å; I749-Y751 HydrophobicContact CG2-CD2 4.37Å; I749-Y751 HydrophobicContact CG2-CE2 3.78Å; Y751-M769 CarbonylContact O-C 3.58Å; Y751-E770 PolarHBondContact N-O 3Å; Y751-E770 PolarHBondContact O-N 3.1Å; Y751-V772 HydrophobicContact CD2-CG2 3.96Å; Y751-V772 HydrophobicContact CE2-CG2 3.7Å
752E93.3Very high82.7Confident2 Ų263.4 Ų63.41%0.00934%0.339CS..EExtended strand (participates in β ladder)trans-118.8134.9173.8-65.8-176.4-176.600109.8F669 V670 Y672 Y725 M728 Y732 Y754 T767 I768F669-E752 VanDerWaalsContact CA-O 3.3Å; F669-E752 WeakPolarHBondContact CA-O 3.26Å; V670-E752 PolarHBondContact N-O 3.4Å; V670-E752 PolarHBondContact O-N 3.42Å; Y672-E752 HydrophobicContact CE2-CG 4.33Å; Y725-E752 WeakPolarHBondContact CE2-OE2 3.49Å; M728-E752 WeakPolarHBondContact CE-OE1 3.36Å; Y732-E752 PolarHBondContact OH-OE1 3.09Å; E752-Y754 PolarHBondContact OE2-OH 3.24Å; E752-T767 HydrophobicContact CB-CG2 4.2Å; E752-I768 CarbonylContact C-O 3.5Å; E752-I768 WeakPolarHBondContact CA-O 3.46Å
753Y90Very high82Confident8 Ų865.9 Ų65.93%0.03135%0.35CS..EExtended strand (participates in β ladder)trans-124110.5176.1-53.4-96.4000109K625 T667 P668 F669 L755 T767 I768 E770K625-Y753 WeakPolarHBondContact CE-OH 3.5Å; K625-Y753 VanDerWaalsContact NZ-CZ 3.34Å; K625-Y753 PolarHBondContact NZ-OH 2.9Å; T667-Y753 HydrophobicContact CG2-CD1 4.36Å; T667-Y753 WeakPolarHBondContact O-CD1 3.29Å; P668-Y753 WeakPolarHBondContact O-CD1 3.3Å; F669-Y753 HydrophobicContact CB-CD1 3.82Å; F669-Y753 HydrophobicContact CB-CE1 3.51Å; F669-Y753 HydrophobicContact CG-CE1 4.44Å; Y753-L755 PolarHBondContact O-N 2.64Å; Y753-T767 CarbonylContact O-C 3.55Å; Y753-T767 WeakPolarHBondContact O-CA 3.42Å; Y753-I768 HydrophobicContact CD2-CB 4.12Å; Y753-I768 HydrophobicContact CD2-CG2 4.08Å; Y753-I768 PolarHBondContact N-O 3.36Å; Y753-I768 PolarHBondContact O-N 2.71Å; Y753-E770 VanDerWaalsContact CE2-CD 3.5Å; Y753-E770 HydrophobicContact CE2-CG 4.04Å; Y753-E770 WeakPolarHBondContact CE2-OE2 3.36Å; Y753-E770 PolarHBondContact OH-OE2 3.04Å
754Y82Confident81.1Confident63 Ų6368.2 Ų68.225%0.24734%0.342CS..EExtended strand (participates in β ladder)trans-80118.5177.5-51.2-71.6000109.5V670 Y725 E752 T767V670-Y754 HydrophobicContact CB-CE2 4.3Å; V670-Y754 HydrophobicContact CG2-CE2 3.74Å; Y725-Y754 HydrophobicContact CD2-CE1 4.14Å; Y725-Y754 HydrophobicContact CE2-CE1 4.05Å; E752-Y754 PolarHBondContact OE2-OH 3.24Å; Y754-T767 HydrophobicContact CD1-CG2 4.06Å; Y754-T767 HydrophobicContact CE1-CG2 4.13Å
755L76.4Confident80.3Confident74 Ų7469.7 Ų69.739%0.38735%0.345SS..  trans-98.9-8.2-179.2-57.7-177.4000112.7T667 L720 Y753 E766 I768T667-L755 HydrophobicContact CG2-CD2 4.09Å; L720-L755 HydrophobicContact CD1-CD1 3.91Å; Y753-L755 PolarHBondContact O-N 2.64Å; L755-E766 HydrophobicContact CB-CB 4.01Å; L755-E766 HydrophobicContact CD1-CB 4.48Å; L755-E766 PolarHBondContact N-O 3.31Å; L755-I768 HydrophobicContact CD1-CD1 3.85Å; L755-I768 HydrophobicContact CD1-CG1 3.82Å; L755-I768 HydrophobicContact CD2-CD1 4.33Å; L755-I768 HydrophobicContact CG-CD1 4.43Å; L755-I768 HydrophobicContact CG-CG1 4.36Å
756S68Low79.8Confident28 Ų2866.2 Ų66.220%0.19633%0.331CS..SBendtrans-112.7138.9-176.9-67.20000111.9E766S756-E766 PolarHBondContact OG-N 3.21Å
757D67.3Low79.3Confident125 Ų12565.2 Ų65.267%0.66833%0.327SS*.  trans-72.9159.2171.1-66.6-33.8000111.3E759 I760D757-E759 PolarHBondContact O-N 2.83Å; D757-I760 WeakPolarHBondContact O-CB 3.47Å; D757-I760 WeakPolarHBondContact O-CG1 3.44Å; D757-I760 PolarHBondContact O-N 2.69Å
758E63.6Low79.1Confident188 Ų18865.1 Ų65.188%0.87932%0.323SS*.THydrogen-bonded Turntrans-59.6-17.1178.4-65-177.3173.700113.8I760E758-I760 VanDerWaalsContact C-N 3.29Å
759E63.7Low79.1Confident183 Ų18364.7 Ų64.786%0.85532%0.318SS*.THydrogen-bonded Turntrans-74.6-18.2175.9-60.8-170.2168.600113.3D757D757-E759 PolarHBondContact O-N 2.83Å
760I64.7Low79.1Confident63 Ų6362.7 Ų62.732%0.32331%0.307SS..SBendtrans-73.9128.3177.5-58.1-59.9000108.7D757 E758 E762 Q764 Q765D757-I760 WeakPolarHBondContact O-CB 3.47Å; D757-I760 WeakPolarHBondContact O-CG1 3.44Å; D757-I760 PolarHBondContact O-N 2.69Å; E758-I760 VanDerWaalsContact C-N 3.29Å; I760-E762 PolarHBondContact O-N 3.46Å; I760-Q764 HydrophobicContact CG2-CB 3.67Å; I760-Q765 HydrophobicContact CB-CG 4.2Å; I760-Q765 HydrophobicContact CG2-CG 4.12Å; I760-Q765 PolarHBondContact O-NE2 3.02Å
761P73.7Confident79.1Confident62 Ų6262.7 Ų62.740%0.40331%0.307SS..  trans-50.2137.4174.7-26.133.8000110.8E763 Q764 Q765P761-E763 PolarHBondContact O-N 3.45Å; P761-Q764 WeakPolarHBondContact O-CA 3.39Å; P761-Q764 PolarHBondContact O-N 3.17Å; P761-Q765 PolarHBondContact O-N 3.39Å
762E74.9Confident79.1Confident96 Ų9663 Ų6345%0.44931%0.31SS..G310 helixtrans-53-30.5-173.6-65.4175.2167.600112.4G723 R724 I760 Q764G723-E762 CarbonylContact C-O 3.46Å; R724-E762 VanDerWaalsContact CA-O 3.32Å; R724-E762 WeakPolarHBondContact CA-O 3.24Å; R724-E762 HydrophobicContact CG-CB 4.01Å; R724-E762 IonicContact CZ-OE2 2.55Å; R724-E762 PolarHBondContact N-O 3.43Å; R724-E762 VanDerWaalsContact N-O 3.14Å; R724-E762 IonicContact NH1-OE2 3.76Å; R724-E762 PolarHBondContact NH1-OE2 3.49Å; R724-E762 IonicContact NH2-OE2 3.64Å; R724-E762 PolarHBondContact NH2-OE2 3.17Å; I760-E762 PolarHBondContact O-N 3.46Å; E762-Q764 PolarHBondContact O-N 3.27Å
763E74.3Confident79.1Confident110 Ų11063.7 Ų63.751%0.51431%0.313SS..G310 helixtrans-74.6-7.2178.3-51.877.2-156.400114.6R724 P761R724-E763 HydrophobicContact CG-CG 4.13Å; R724-E763 IonicContact NH1-OE1 3.61Å; R724-E763 PolarHBondContact NH1-OE1 3.23Å; R724-E763 VanDerWaalsContact NH1-OE1 3.14Å; P761-E763 PolarHBondContact O-N 3.45Å
764Q71.2Confident79.2Confident118 Ų11871.8 Ų71.855%0.55135%0.351SS*.G310 helixtrans-120.41.1-177.5-61.1179.924.200112.2I760 P761 E762 E766I760-Q764 HydrophobicContact CG2-CB 3.67Å; P761-Q764 WeakPolarHBondContact O-CA 3.39Å; P761-Q764 PolarHBondContact O-N 3.17Å; E762-Q764 PolarHBondContact O-N 3.27Å; Q764-E766 PolarHBondContact O-N 2.91Å
765Q72.3Confident79Confident45 Ų4572.2 Ų72.221%0.2136%0.356CS..  trans-67.9132.1178.3-72.5179-6.300110.2V722 G723 I760 P761V722-Q765 VanDerWaalsContact CA-O 3.3Å; V722-Q765 WeakPolarHBondContact CA-O 3.45Å; G723-Q765 PolarHBondContact N-O 3.06Å; I760-Q765 HydrophobicContact CB-CG 4.2Å; I760-Q765 HydrophobicContact CG2-CG 4.12Å; I760-Q765 PolarHBondContact O-NE2 3.02Å; P761-Q765 PolarHBondContact O-N 3.39Å
766E80.6Confident79.1Confident79 Ų7972.1 Ų72.137%0.36935%0.354SS..EExtended strand (participates in β ladder)trans-102.3126.6-177.6-56.6-170.7157.800110.1L720 Y721 V722 L755 S756 Q764L720-E766 HydrophobicContact CD1-CB 4.25Å; Y721-E766 CarbonylContact O-C 3.58Å; Y721-E766 WeakPolarHBondContact O-CA 3.38Å; V722-E766 HydrophobicContact CG1-CG 4.39Å; V722-E766 HydrophobicContact CG2-CB 4.4Å; V722-E766 HydrophobicContact CG2-CG 3.88Å; L755-E766 HydrophobicContact CB-CB 4.01Å; L755-E766 HydrophobicContact CD1-CB 4.48Å; L755-E766 PolarHBondContact N-O 3.31Å; S756-E766 PolarHBondContact OG-N 3.21Å; Q764-E766 PolarHBondContact O-N 2.91Å
767T83.1Confident79.8Confident6 Ų674.6 Ų74.64%0.03736%0.363CS..EExtended strand (participates in β ladder)trans-132126.8178.5-56.50000109.4Y721 M728 E752 Y753 Y754 M769Y721-T767 PolarHBondContact N-O 2.91Å; Y721-T767 PolarHBondContact O-N 3.45Å; M728-T767 HydrophobicContact SD-CG2 4.13Å; E752-T767 HydrophobicContact CB-CG2 4.2Å; Y753-T767 CarbonylContact O-C 3.55Å; Y753-T767 WeakPolarHBondContact O-CA 3.42Å; Y754-T767 HydrophobicContact CD1-CG2 4.06Å; Y754-T767 HydrophobicContact CE1-CG2 4.13Å; T767-M769 HydrophobicContact CG2-CG 4.36Å
768I87.9Confident80.5Confident45 Ų4571.6 Ų71.623%0.23135%0.345CS..EExtended strand (participates in β ladder)trans-85128.4165.7-63.6171.2000108.3A719 L720 E752 Y753 L755 E770A719-I768 CarbonylContact O-C 3.53Å; A719-I768 WeakPolarHBondContact O-CA 3.06Å; L720-I768 HydrophobicContact CD1-CG1 3.97Å; E752-I768 CarbonylContact C-O 3.5Å; E752-I768 WeakPolarHBondContact CA-O 3.46Å; Y753-I768 HydrophobicContact CD2-CB 4.12Å; Y753-I768 HydrophobicContact CD2-CG2 4.08Å; Y753-I768 PolarHBondContact N-O 3.36Å; Y753-I768 PolarHBondContact O-N 2.71Å; L755-I768 HydrophobicContact CD1-CD1 3.85Å; L755-I768 HydrophobicContact CD1-CG1 3.82Å; L755-I768 HydrophobicContact CD2-CD1 4.33Å; L755-I768 HydrophobicContact CG-CD1 4.43Å; L755-I768 HydrophobicContact CG-CG1 4.36Å; I768-E770 HydrophobicContact CG2-CG 4.16Å
769M91.3Very high81.6Confident0 Ų064.3 Ų64.30%031%0.312CS..EExtended strand (participates in β ladder)trans-109.3131.1175.9-54.2170.271.300108.4S718 A719 Y721 M728 P731 Y732 M735 Y751 T767S718-M769 CarbonylContact C-O 3.59Å; S718-M769 VanDerWaalsContact CA-O 3.28Å; S718-M769 WeakPolarHBondContact CA-O 3.43Å; A719-M769 PolarHBondContact N-O 2.87Å; A719-M769 PolarHBondContact O-N 2.92Å; Y721-M769 HydrophobicContact CG-SD 4.38Å; M728-M769 HydrophobicContact CB-CE 4.48Å; M728-M769 HydrophobicContact SD-CE 4.37Å; M728-M769 HydrophobicContact SD-CG 4.4Å; M728-M769 HydrophobicContact SD-SD 4.06Å; P731-M769 HydrophobicContact CB-CE 4.06Å; P731-M769 HydrophobicContact CB-SD 3.75Å; Y732-M769 HydrophobicContact CD1-CE 3.92Å; Y732-M769 HydrophobicContact CD2-CE 3.19Å; Y732-M769 HydrophobicContact CE1-CE 3.87Å; Y732-M769 HydrophobicContact CE2-CE 3.14Å; Y732-M769 HydrophobicContact CG-CE 3.58Å; Y732-M769 VanDerWaalsContact CZ-CE 3.49Å; M735-M769 HydrophobicContact CE-CB 4.36Å; M735-M769 WeakPolarHBondContact CE-O 3.42Å; M735-M769 HydrophobicContact SD-CB 3.93Å; M735-M769 HydrophobicContact SD-SD 4.5Å; Y751-M769 CarbonylContact O-C 3.58Å; T767-M769 HydrophobicContact CG2-CG 4.36Å
770E94.2Very high82.7Confident11 Ų1156.4 Ų56.45%0.05128%0.276CS..EExtended strand (participates in β ladder)trans-125.5118.6174.3-64.8179.2173.900109.5I623 K625 Y714 A716 L717 S750 Y751 Y753 I768I623-E770 HydrophobicContact CD1-CG 4.06Å; I623-E770 VanDerWaalsContact CD1-OE1 3.28Å; I623-E770 WeakPolarHBondContact CD1-OE1 3.46Å; K625-E770 IonicContact NZ-OE1 3.85Å; K625-E770 PolarHBondContact NZ-OE1 3.07Å; K625-E770 IonicContact NZ-OE2 2.79Å; K625-E770 PolarHBondContact NZ-OE2 3Å; Y714-E770 PolarHBondContact OH-OE2 3.26Å; A716-E770 HydrophobicContact CB-CB 4.06Å; L717-E770 CarbonylContact O-C 3.39Å; L717-E770 WeakPolarHBondContact O-CA 3.18Å; S750-E770 CarbonylContact C-O 3.54Å; S750-E770 VanDerWaalsContact CA-O 3.24Å; S750-E770 WeakPolarHBondContact CA-O 3.3Å; Y751-E770 PolarHBondContact N-O 3Å; Y751-E770 PolarHBondContact O-N 3.1Å; Y753-E770 VanDerWaalsContact CE2-CD 3.5Å; Y753-E770 HydrophobicContact CE2-CG 4.04Å; Y753-E770 WeakPolarHBondContact CE2-OE2 3.36Å; Y753-E770 PolarHBondContact OH-OE2 3.04Å; I768-E770 HydrophobicContact CG2-CG 4.16Å
771L94.3Very high84Confident0 Ų055.9 Ų55.90%027%0.272CS..EExtended strand (participates in β ladder)trans-102.8116.1175.1-80.573.4000109.3A716 L717 Y732 M735 M736 I739 F746A716-L771 CarbonylContact C-O 3.54Å; A716-L771 VanDerWaalsContact CA-O 3.23Å; A716-L771 WeakPolarHBondContact CA-O 3.48Å; L717-L771 PolarHBondContact N-O 3.49Å; L717-L771 PolarHBondContact O-N 3.05Å; Y732-L771 HydrophobicContact CD1-CD1 3.83Å; Y732-L771 HydrophobicContact CD1-CD2 4.13Å; Y732-L771 HydrophobicContact CD1-CG 4.22Å; Y732-L771 HydrophobicContact CE1-CD1 3.77Å; Y732-L771 HydrophobicContact CE1-CG 4.23Å; M735-L771 HydrophobicContact CB-CD1 4.03Å; M735-L771 HydrophobicContact CB-CD2 3.89Å; M735-L771 HydrophobicContact CE-CD1 3.53Å; M735-L771 HydrophobicContact CG-CD1 4.41Å; M735-L771 HydrophobicContact SD-CD1 3.5Å; M735-L771 VanDerWaalsContact SD-CD1 3.5Å; M736-L771 HydrophobicContact CE-CD2 3.88Å; M736-L771 HydrophobicContact CG-CD2 3.64Å; I739-L771 HydrophobicContact CD1-CB 3.65Å; I739-L771 HydrophobicContact CD1-CD2 4.09Å; F746-L771 HydrophobicContact CD2-CB 3.98Å; F746-L771 HydrophobicContact CD2-CD2 4.18Å; F746-L771 HydrophobicContact CD2-CG 4.29Å; F746-L771 HydrophobicContact CE2-CB 3.79Å; F746-L771 HydrophobicContact CE2-CD2 4.03Å; F746-L771 HydrophobicContact CE2-CG 3.82Å
772V94.7Very high84.8Confident16 Ų1655.5 Ų55.510%0.09726%0.262CS..EExtended strand (participates in β ladder)trans-73.2133.9-179.2-179.40000110Y714 K715 F746 S747 I749 Y751Y714-V772 HydrophobicContact CD2-CG1 4.29Å; Y714-V772 HydrophobicContact CD2-CG2 3.76Å; Y714-V772 HydrophobicContact CE2-CG2 3.89Å; Y714-V772 HydrophobicContact CG-CG2 4.42Å; K715-V772 WeakPolarHBondContact O-CA 3.37Å; F746-V772 VanDerWaalsContact CD2-O 3.22Å; F746-V772 WeakPolarHBondContact CD2-O 3.23Å; S747-V772 PolarHBondContact N-O 2.88Å; S747-V772 VanDerWaalsContact OG-CB 3.29Å; S747-V772 WeakPolarHBondContact OG-CB 3.14Å; S747-V772 WeakPolarHBondContact OG-CG1 3.29Å; S747-V772 PolarHBondContact OG-O 3.28Å; I749-V772 HydrophobicContact CB-CB 4.28Å; I749-V772 HydrophobicContact CB-CG2 4.22Å; I749-V772 HydrophobicContact CG2-CG2 4.16Å; I749-V772 PolarHBondContact O-N 3.05Å; Y751-V772 HydrophobicContact CD2-CG2 3.96Å; Y751-V772 HydrophobicContact CE2-CG2 3.7Å
773Y93.7Very high85.7Confident18 Ų1852.1 Ų52.17%0.07125%0.247CC..EExtended strand (participates in β ladder)trans-138.8153.7178.970.6-90.4000112.7Q622 K715 L717 I739 I742 K745Q622-Y773 WeakPolarHBondContact CG-OH 3.35Å; Q622-Y773 PolarHBondContact OE1-OH 3.23Å; Q622-Y773 VanDerWaalsContact OE1-OH 3.1Å; K715-Y773 HydrophobicContact CB-CE1 4.21Å; K715-Y773 HydrophobicContact CB-CE2 4.22Å; K715-Y773 HydrophobicContact CD-CE2 4.2Å; K715-Y773 PolarHBondContact O-N 3.49Å; K715-Y773 VanDerWaalsContact O-N 3.12Å; L717-Y773 HydrophobicContact CB-CD1 4.35Å; L717-Y773 HydrophobicContact CB-CE1 4.25Å; I739-Y773 HydrophobicContact CD1-CD1 4.34Å; I739-Y773 HydrophobicContact CG1-CD1 4.13Å; I739-Y773 HydrophobicContact CG1-CG 4.34Å; I739-Y773 HydrophobicContact CG2-CG 4.22Å; I742-Y773 HydrophobicContact CD1-CE1 4.21Å; I742-Y773 HydrophobicContact CD1-CE2 3.85Å; K745-Y773 CarbonylContact O-C 3.57Å; K745-Y773 VanDerWaalsContact O-CA 3.24Å; K745-Y773 WeakPolarHBondContact O-CA 3.32Å; K745-Y773 WeakPolarHBondContact O-CB 3.31Å
774E90.3Very high86.7Confident177 Ų17746.8 Ų46.883%0.82722%0.222SC*.  trans-101.10176-64.8-177.1168.200112.5G744 K745G744-E774 VanDerWaalsContact CA-O 3.31Å; G744-E774 WeakPolarHBondContact CA-O 3.38Å; K745-E774 PolarHBondContact N-O 3.4Å; K745-E774 PolarHBondContact O-N 2.9Å

Retrieved 774 of 774 residues in 1459.8 ms (Link to these results)

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