A0A087XLW1_POEFO Loading...

Dual specificity protein phosphatase 12

Dual specificity phosphatase; can dephosphorylate both phosphotyrosine and phosphoserine or phosphothreonine residues. Can dephosphorylate glucokinase (in vitro). Has phosphatase activity with the synthetic substrate 6,8-difluoro-4-methylumbelliferyl phosphate and other in vitro substrates.

AlphaFold DB , UniProt , Accession A0A087XLW1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 303 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
1M91.9Very high96.9Very high60 Ų6035.3 Ų35.330%0.29621%0.209SC..  0154.6065.1-176.7-177.300110.2Y9 I10 D15 A21 L22 A25 V27 L85M1-Y9 HydrophobicContact CE-CD1 4.37Å; M1-Y9 HydrophobicContact CE-CE1 4.39Å; M1-Y9 HydrophobicContact CG-CD1 4.17Å; M1-Y9 HydrophobicContact SD-CD1 4.21Å; M1-Y9 HydrophobicContact SD-CG 4.37Å; M1-I10 CarbonylContact C-O 3.32Å; M1-I10 WeakPolarHBondContact CA-O 3.28Å; M1-D15 WeakPolarHBondContact CA-OD2 3.13Å; M1-D15 HydrophobicContact CB-CB 4.27Å; M1-D15 PolarHBondContact N-OD1 3.23Å; M1-D15 PolarHBondContact N-OD2 3.01Å; M1-A21 VanDerWaalsContact CE-C 3.41Å; M1-A21 HydrophobicContact CE-CB 3.94Å; M1-A21 WeakPolarHBondContact CE-O 3.43Å; M1-L22 HydrophobicContact SD-CD2 4.08Å; M1-A25 HydrophobicContact CE-CB 3.27Å; M1-V27 HydrophobicContact SD-CG2 4.43Å; M1-L85 HydrophobicContact CB-CD1 3.9Å; M1-L85 HydrophobicContact SD-CD1 4.33Å
2L96.4Very high96.8Very high64 Ų6436 Ų3634%0.33521%0.214SC..EExtended strand (participates in β ladder)trans-128.2132.9-175-18075.7000110.5Y9 I10 L121 K122L2-Y9 CarbonylContact O-C 3.56Å; L2-Y9 VanDerWaalsContact O-CA 3.22Å; L2-Y9 WeakPolarHBondContact O-CA 3.31Å; L2-I10 HydrophobicContact CB-CG2 4Å; L2-I10 HydrophobicContact CD2-CG2 4.35Å; L2-I10 PolarHBondContact N-O 3.07Å; L2-I10 PolarHBondContact O-N 2.88Å; L2-L121 HydrophobicContact CD2-CB 4.07Å; L2-L121 WeakPolarHBondContact CD2-O 3.33Å; L2-K122 HydrophobicContact CD2-CB 3.64Å; L2-K122 HydrophobicContact CD2-CD 4.28Å; L2-K122 HydrophobicContact CD2-CG 4.21Å
3L97.6Very high96.5Very high86 Ų8633.8 Ų33.845%0.4520%0.203SC..EExtended strand (participates in β ladder)trans-72.1124.9174.7-175.173.6000109.9D5 Y9L3-D5 WeakPolarHBondContact CD1-O 3.27Å; L3-Y9 HydrophobicContact CB-CD1 4.01Å; L3-Y9 HydrophobicContact CB-CE1 3.71Å; L3-Y9 HydrophobicContact CD1-CD1 4.15Å; L3-Y9 HydrophobicContact CD1-CD2 4.2Å; L3-Y9 HydrophobicContact CD1-CE1 3.66Å; L3-Y9 HydrophobicContact CD1-CE2 3.7Å; L3-Y9 HydrophobicContact CD1-CG 4.4Å; L3-Y9 VanDerWaalsContact CD1-CZ 3.41Å; L3-Y9 HydrophobicContact CG-CE1 4.29Å
4V97.1Very high96.1Very high9 Ų934.6 Ų34.66%0.05522%0.221CC..EExtended strand (participates in β ladder)trans-111.8-29.2-178.7-65.80000113.1V8 I10 V99 L118 L121V4-V8 HydrophobicContact CG2-CB 3.98Å; V4-V8 HydrophobicContact CG2-CG1 3.68Å; V4-V8 VanDerWaalsContact CG2-O 3.22Å; V4-V8 WeakPolarHBondContact CG2-O 3.23Å; V4-V8 PolarHBondContact N-O 2.79Å; V4-I10 HydrophobicContact CG1-CB 4Å; V4-I10 HydrophobicContact CG1-CG2 3.48Å; V4-I10 VanDerWaalsContact CG1-CG2 3.48Å; V4-V99 HydrophobicContact CB-CG1 4.2Å; V4-V99 HydrophobicContact CG1-CG1 4.33Å; V4-V99 HydrophobicContact CG2-CG1 3.78Å; V4-L118 HydrophobicContact CB-CD1 4.31Å; V4-L118 HydrophobicContact CG1-CD1 3.55Å; V4-L121 HydrophobicContact CB-CD1 4.5Å
5D97.3Very high95.9Very high31 Ų3134.3 Ų34.317%0.16622%0.217CC..EExtended strand (participates in β ladder)trans-154.4169.4175.3-16210.7000108.7L3 G7 V8 Y102 L103 H107L3-D5 WeakPolarHBondContact CD1-O 3.27Å; D5-G7 PolarHBondContact O-N 3.28Å; D5-V8 HydrophobicContact CB-CB 4.15Å; D5-V8 HydrophobicContact CB-CG2 4.36Å; D5-V8 PolarHBondContact N-O 3.43Å; D5-V8 PolarHBondContact O-N 3.45Å; D5-Y102 HydrophobicContact CB-CE1 4.3Å; D5-L103 HydrophobicContact CB-CD2 4.19Å; D5-H107 IonicContact OD1-NE2 2.75Å; D5-H107 IonicContact OD2-CD2 3.57Å; D5-H107 IonicContact OD2-CE1 3.75Å; D5-H107 IonicContact OD2-NE2 2.74Å; D5-H107 PolarHBondContact OD2-NE2 3.24Å
6A96.8Very high95.5Very high72 Ų7232.3 Ų32.360%0.59520%0.204SC*.THydrogen-bonded Turntrans-55.4113.6179.400000111.4V8A6-V8 VanDerWaalsContact C-N 3.3Å; A6-V8 PolarHBondContact O-N 3.35Å
7G97.4Very high95Very high20 Ų2036.8 Ų36.821%0.20623%0.226CC..THydrogen-bonded Turntrans74.511.5-178.300000115.1D5 A83 A84D5-G7 PolarHBondContact O-N 3.28Å; G7-A83 CarbonylContact O-C 3.44Å; G7-A83 WeakPolarHBondContact O-CA 3.4Å; G7-A83 WeakPolarHBondContact O-CB 3.38Å; G7-A84 PolarHBondContact O-N 3.23Å
8V98.5Very high94.8Very high0 Ų039 Ų390%024%0.237CC..EExtended strand (participates in β ladder)trans-124.2126.4-179.8-172.20000110.4V4 D5 A6 I74 V78 Y102V4-V8 HydrophobicContact CG2-CB 3.98Å; V4-V8 HydrophobicContact CG2-CG1 3.68Å; V4-V8 VanDerWaalsContact CG2-O 3.22Å; V4-V8 WeakPolarHBondContact CG2-O 3.23Å; V4-V8 PolarHBondContact N-O 2.79Å; D5-V8 HydrophobicContact CB-CB 4.15Å; D5-V8 HydrophobicContact CB-CG2 4.36Å; D5-V8 PolarHBondContact N-O 3.43Å; D5-V8 PolarHBondContact O-N 3.45Å; A6-V8 VanDerWaalsContact C-N 3.3Å; A6-V8 PolarHBondContact O-N 3.35Å; V8-I74 HydrophobicContact CG1-CG2 4.11Å; V8-I74 HydrophobicContact CG2-CG2 3.7Å; V8-V78 HydrophobicContact CG2-CG2 3.77Å; V8-Y102 HydrophobicContact CB-CE1 4.45Å; V8-Y102 HydrophobicContact CG1-CE1 4.43Å; V8-Y102 HydrophobicContact CG2-CE1 3.8Å; V8-Y102 HydrophobicContact CG2-CE2 4.49Å
9Y98.5Very high94.3Very high42 Ų4243.9 Ų43.917%0.16525%0.25CS..EExtended strand (participates in β ladder)trans-121.4143.4-179.4-65.1-98.2000111.2M1 L2 L3 A25 A83 A84 V86M1-Y9 HydrophobicContact CE-CD1 4.37Å; M1-Y9 HydrophobicContact CE-CE1 4.39Å; M1-Y9 HydrophobicContact CG-CD1 4.17Å; M1-Y9 HydrophobicContact SD-CD1 4.21Å; M1-Y9 HydrophobicContact SD-CG 4.37Å; L2-Y9 CarbonylContact O-C 3.56Å; L2-Y9 VanDerWaalsContact O-CA 3.22Å; L2-Y9 WeakPolarHBondContact O-CA 3.31Å; L3-Y9 HydrophobicContact CB-CD1 4.01Å; L3-Y9 HydrophobicContact CB-CE1 3.71Å; L3-Y9 HydrophobicContact CD1-CD1 4.15Å; L3-Y9 HydrophobicContact CD1-CD2 4.2Å; L3-Y9 HydrophobicContact CD1-CE1 3.66Å; L3-Y9 HydrophobicContact CD1-CE2 3.7Å; L3-Y9 HydrophobicContact CD1-CG 4.4Å; L3-Y9 VanDerWaalsContact CD1-CZ 3.41Å; L3-Y9 HydrophobicContact CG-CE1 4.29Å; Y9-A25 HydrophobicContact CE1-CB 4.03Å; Y9-A25 HydrophobicContact CE2-CB 3.85Å; Y9-A25 WeakPolarHBondContact OH-CB 3.36Å; Y9-A83 HydrophobicContact CD2-CB 3.93Å; Y9-A83 HydrophobicContact CE2-CB 3.64Å; Y9-A84 PolarHBondContact N-O 3.17Å; Y9-V86 PolarHBondContact O-N 3.34Å
10I98.2Very high94.1Very high1 Ų149.7 Ų49.71%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-105.4140.5166.9-167.4172.5000110.2M1 L2 V4 V86 A96 V99 L118 K122M1-I10 CarbonylContact C-O 3.32Å; M1-I10 WeakPolarHBondContact CA-O 3.28Å; L2-I10 HydrophobicContact CB-CG2 4Å; L2-I10 HydrophobicContact CD2-CG2 4.35Å; L2-I10 PolarHBondContact N-O 3.07Å; L2-I10 PolarHBondContact O-N 2.88Å; V4-I10 HydrophobicContact CG1-CB 4Å; V4-I10 HydrophobicContact CG1-CG2 3.48Å; V4-I10 VanDerWaalsContact CG1-CG2 3.48Å; I10-V86 CarbonylContact C-O 3.49Å; I10-V86 WeakPolarHBondContact CA-O 3.48Å; I10-A96 HydrophobicContact CD1-CB 3.98Å; I10-V99 HydrophobicContact CB-CG2 4.21Å; I10-V99 HydrophobicContact CD1-CG2 4.24Å; I10-V99 HydrophobicContact CG1-CG2 4.24Å; I10-L118 HydrophobicContact CD1-CD1 4.42Å; I10-L118 HydrophobicContact CD1-CD2 4.45Å; I10-K122 HydrophobicContact CG2-CD 3.98Å
11G96.3Very high94.1Very high3 Ų348.7 Ų48.73%0.03127%0.273CS..EExtended strand (participates in β ladder)trans-150.8-179.1-178.900000115.9D15 V86 H87 G91G11-D15 WeakPolarHBondContact CA-OD2 3.42Å; G11-V86 PolarHBondContact N-O 2.87Å; G11-H87 WeakPolarHBondContact O-CA 3.5Å; G11-H87 WeakPolarHBondContact O-CB 3.5Å; G11-G91 WeakPolarHBondContact O-CA 3.4Å
12T95.4Very high94.1Very high44 Ų4446.1 Ų46.127%0.2726%0.261SS..  trans-103.4169.3175.171.80000110.4G14 D15 C88 A90T12-G14 PolarHBondContact O-N 3.06Å; T12-G14 PolarHBondContact OG1-N 3.01Å; T12-D15 PolarHBondContact N-OD2 3.16Å; T12-D15 WeakPolarHBondContact O-CB 3.3Å; T12-D15 PolarHBondContact O-N 3.03Å; T12-D15 PolarHBondContact OG1-N 3.27Å; T12-D15 PolarHBondContact OG1-OD2 2.93Å; T12-C88 CarbonylContact C-O 3.6Å; T12-C88 VanDerWaalsContact C-O 3.23Å; T12-C88 WeakPolarHBondContact CA-O 3.28Å; T12-A90 WeakPolarHBondContact CG2-O 3.25Å
13A92.7Very high93.9Very high8 Ų847.4 Ų47.47%0.06627%0.268CS..G310 helixtrans-61.7-29.817300000112.2D15 L16 L41 C88 Q89A13-D15 VanDerWaalsContact C-N 3.28Å; A13-D15 PolarHBondContact O-N 2.93Å; A13-L16 WeakPolarHBondContact O-CB 3.15Å; A13-L16 PolarHBondContact O-N 3.32Å; A13-L41 HydrophobicContact CB-CD1 4.4Å; A13-C88 PolarHBondContact N-O 2.74Å; A13-Q89 PolarHBondContact N-O 3.45Å; A13-Q89 VanDerWaalsContact N-O 3.15Å
14G91.1Very high93.8Very high44 Ų4447.4 Ų47.445%0.45428%0.281SS..G310 helixtrans-66.5-28.3177.200000113.6T12 L16 N17T12-G14 PolarHBondContact O-N 3.06Å; T12-G14 PolarHBondContact OG1-N 3.01Å; G14-L16 PolarHBondContact O-N 3.44Å; G14-N17 PolarHBondContact O-N 3.06Å; G14-N17 VanDerWaalsContact O-N 3.12Å
15D92.7Very high93.7Very high31 Ų3147.6 Ų47.617%0.16628%0.283CS..G310 helixtrans-65.3-20.5180-69.1-47.4000112.7M1 G11 T12 A13 N17 D18M1-D15 WeakPolarHBondContact CA-OD2 3.13Å; M1-D15 HydrophobicContact CB-CB 4.27Å; M1-D15 PolarHBondContact N-OD1 3.23Å; M1-D15 PolarHBondContact N-OD2 3.01Å; G11-D15 WeakPolarHBondContact CA-OD2 3.42Å; T12-D15 PolarHBondContact N-OD2 3.16Å; T12-D15 WeakPolarHBondContact O-CB 3.3Å; T12-D15 PolarHBondContact O-N 3.03Å; T12-D15 PolarHBondContact OG1-N 3.27Å; T12-D15 PolarHBondContact OG1-OD2 2.93Å; A13-D15 VanDerWaalsContact C-N 3.28Å; A13-D15 PolarHBondContact O-N 2.93Å; D15-N17 PolarHBondContact O-N 2.75Å; D15-D18 PolarHBondContact O-N 3.39Å
16L89.8Confident93.6Very high1 Ų149.6 Ų49.61%0.00530%0.299CS..G310 helixtrans-65-23.6175.6-61.5-170.5000113.1A13 G14 I30 L41 L42 L85A13-L16 WeakPolarHBondContact O-CB 3.15Å; A13-L16 PolarHBondContact O-N 3.32Å; G14-L16 PolarHBondContact O-N 3.44Å; L16-I30 HydrophobicContact CD2-CD1 4.12Å; L16-I30 HydrophobicContact CD2-CG2 4Å; L16-L41 HydrophobicContact CD1-CB 3.94Å; L16-L41 HydrophobicContact CD1-CD1 4.29Å; L16-L42 HydrophobicContact CB-CD2 4.01Å; L16-L42 HydrophobicContact CD1-CD2 3.99Å; L16-L42 HydrophobicContact CD1-CG 4.14Å; L16-L42 HydrophobicContact CD2-CD2 4.01Å; L16-L42 HydrophobicContact CG-CD2 4.23Å; L16-L85 HydrophobicContact CD2-CD2 3.97Å
17N88.1Confident93.5Very high109 Ų10946.2 Ų46.258%0.58327%0.271SS*.G310 helixtrans-86.7-15.3-178.9-65.5-49.7000113G14 D15 R19G14-N17 PolarHBondContact O-N 3.06Å; G14-N17 VanDerWaalsContact O-N 3.12Å; D15-N17 PolarHBondContact O-N 2.75Å; N17-R19 PolarHBondContact O-N 3.38Å; N17-R19 VanDerWaalsContact O-N 3.14Å
18D90.3Very high93.4Very high77 Ų7747.7 Ų47.741%0.41228%0.276SS..  trans-87.681-179.2-168.3-19000111.1D15 Q20 A21 L22D15-D18 PolarHBondContact O-N 3.39Å; D18-Q20 VanDerWaalsContact C-N 3.27Å; D18-Q20 PolarHBondContact O-N 2.68Å; D18-Q20 PolarHBondContact OD1-N 3.24Å; D18-A21 HydrophobicContact CB-CB 4.02Å; D18-A21 PolarHBondContact O-N 3.45Å; D18-A21 WeakPolarHBondContact OD1-CB 3.31Å; D18-A21 PolarHBondContact OD1-N 3.2Å; D18-A21 WeakPolarHBondContact OD2-CB 3.46Å; D18-L22 WeakPolarHBondContact O-CG 3.37Å; D18-L22 PolarHBondContact O-N 3.41Å; D18-L22 VanDerWaalsContact O-N 3.11Å
19R86.4Confident93.3Very high132 Ų13248.6 Ų48.650%0.49828%0.28SS..Hα-helixtrans-57.9-40-179.3-62.9-176.8-177.1-154.8-0112.5N17 L22 D23 P43 D45N17-R19 PolarHBondContact O-N 3.38Å; N17-R19 VanDerWaalsContact O-N 3.14Å; R19-L22 PolarHBondContact O-N 2.92Å; R19-D23 WeakPolarHBondContact O-CB 3.46Å; R19-D23 PolarHBondContact O-N 3.26Å; R19-P43 VanDerWaalsContact NH2-CG 3.27Å; R19-D45 IonicContact CZ-OD2 3.48Å; R19-D45 IonicContact NH1-OD2 3.15Å; R19-D45 PolarHBondContact NH1-OD2 3.34Å; R19-D45 IonicContact NH2-OD2 2.62Å
20Q90.6Very high93.2Very high160 Ų16046.6 Ų46.675%0.74827%0.273SS*.Hα-helixtrans-65.7-42.2-177.2-174.8178.1-200110.8D18 D23 A24D18-Q20 VanDerWaalsContact C-N 3.27Å; D18-Q20 PolarHBondContact O-N 2.68Å; D18-Q20 PolarHBondContact OD1-N 3.24Å; Q20-D23 PolarHBondContact O-N 2.92Å; Q20-A24 VanDerWaalsContact O-CB 3.3Å; Q20-A24 WeakPolarHBondContact O-CB 3.31Å; Q20-A24 PolarHBondContact O-N 2.88Å
21A93Very high93.2Very high28 Ų2846.5 Ų46.523%0.23127%0.272CS..Hα-helixtrans-64-45.3175.600000111.5M1 D18 D23 A24 A25M1-A21 VanDerWaalsContact CE-C 3.41Å; M1-A21 HydrophobicContact CE-CB 3.94Å; M1-A21 WeakPolarHBondContact CE-O 3.43Å; D18-A21 HydrophobicContact CB-CB 4.02Å; D18-A21 PolarHBondContact O-N 3.45Å; D18-A21 WeakPolarHBondContact OD1-CB 3.31Å; D18-A21 PolarHBondContact OD1-N 3.2Å; D18-A21 WeakPolarHBondContact OD2-CB 3.46Å; A21-D23 VanDerWaalsContact C-N 3.32Å; A21-D23 PolarHBondContact O-N 3.4Å; A21-A24 PolarHBondContact O-N 2.94Å; A21-A25 WeakPolarHBondContact O-CB 3.49Å; A21-A25 PolarHBondContact O-N 3.32Å
22L92.9Very high93.2Very high6 Ų646.5 Ų46.53%0.03127%0.271CS..Hα-helixtrans-60.3-39.3177.5-66.2174.3000112.7M1 D18 R19 S26 V27 L85M1-L22 HydrophobicContact SD-CD2 4.08Å; D18-L22 WeakPolarHBondContact O-CG 3.37Å; D18-L22 PolarHBondContact O-N 3.41Å; D18-L22 VanDerWaalsContact O-N 3.11Å; R19-L22 PolarHBondContact O-N 2.92Å; L22-S26 PolarHBondContact O-N 3.27Å; L22-V27 HydrophobicContact CB-CB 4.38Å; L22-V27 HydrophobicContact CD2-CB 4.05Å; L22-V27 HydrophobicContact CD2-CG1 4.13Å; L22-V27 HydrophobicContact CD2-CG2 3.93Å; L22-V27 PolarHBondContact O-N 3.16Å; L22-L85 HydrophobicContact CD2-CD2 3.68Å
23D91.6Very high93.3Very high91 Ų9144.4 Ų44.449%0.48726%0.259SS..Hα-helixtrans-68.8-47.7175.6-73.9-25.7000111.9R19 Q20 A21 A25 S26 R46R19-D23 WeakPolarHBondContact O-CB 3.46Å; R19-D23 PolarHBondContact O-N 3.26Å; Q20-D23 PolarHBondContact O-N 2.92Å; A21-D23 VanDerWaalsContact C-N 3.32Å; A21-D23 PolarHBondContact O-N 3.4Å; D23-A25 PolarHBondContact O-N 2.8Å; D23-S26 PolarHBondContact O-N 2.94Å; D23-R46 IonicContact OD1-CZ 2.69Å; D23-R46 IonicContact OD1-NH1 3.2Å; D23-R46 PolarHBondContact OD1-NH1 3.21Å; D23-R46 IonicContact OD1-NH2 3.83Å; D23-R46 PolarHBondContact OD1-NH2 2.99Å; D23-R46 VanDerWaalsContact OD1-NH2 3.16Å
24A94.3Very high93.4Very high87 Ų8744.3 Ų44.372%0.71926%0.257SS*.Hα-helixtrans-59.5-33.317900000112.3Q20 A21Q20-A24 VanDerWaalsContact O-CB 3.3Å; Q20-A24 WeakPolarHBondContact O-CB 3.31Å; Q20-A24 PolarHBondContact O-N 2.88Å; A21-A24 PolarHBondContact O-N 2.94Å
25A95.3Very high93.4Very high13 Ų1344.5 Ų44.511%0.10725%0.251CS..THydrogen-bonded Turntrans-87.30.917600000114.4M1 Y9 A21 D23 V27 A83M1-A25 HydrophobicContact CE-CB 3.27Å; Y9-A25 HydrophobicContact CE1-CB 4.03Å; Y9-A25 HydrophobicContact CE2-CB 3.85Å; Y9-A25 WeakPolarHBondContact OH-CB 3.36Å; A21-A25 WeakPolarHBondContact O-CB 3.49Å; A21-A25 PolarHBondContact O-N 3.32Å; D23-A25 PolarHBondContact O-N 2.8Å; A25-V27 HydrophobicContact CB-CG2 3.97Å; A25-V27 PolarHBondContact O-N 2.6Å; A25-A83 VanDerWaalsContact O-CB 3.31Å; A25-A83 WeakPolarHBondContact O-CB 3.5Å
26S95.4Very high93.1Very high72 Ų7246.3 Ų46.350%0.50326%0.264SS..THydrogen-bonded Turntrans53.340.4-176.9-58.80000113.2L22 D23 T28 A83L22-S26 PolarHBondContact O-N 3.27Å; D23-S26 PolarHBondContact O-N 2.94Å; S26-T28 PolarHBondContact O-N 2.87Å; S26-A83 PolarHBondContact O-N 2.91Å
27V95.8Very high92.9Very high1 Ų149.2 Ų49.21%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-66.7125.2178.1177.30000109.7M1 L22 A25 H29 I30 R46 L48 A83 L85M1-V27 HydrophobicContact SD-CG2 4.43Å; L22-V27 HydrophobicContact CB-CB 4.38Å; L22-V27 HydrophobicContact CD2-CB 4.05Å; L22-V27 HydrophobicContact CD2-CG1 4.13Å; L22-V27 HydrophobicContact CD2-CG2 3.93Å; L22-V27 PolarHBondContact O-N 3.16Å; A25-V27 HydrophobicContact CB-CG2 3.97Å; A25-V27 PolarHBondContact O-N 2.6Å; V27-H29 WeakPolarHBondContact CG1-O 3.35Å; V27-I30 HydrophobicContact CG1-CG1 4.19Å; V27-R46 PolarHBondContact O-NH2 3.11Å; V27-L48 WeakPolarHBondContact O-CD2 3.34Å; V27-A83 WeakPolarHBondContact CA-O 3.43Å; V27-A83 HydrophobicContact CG2-CB 4.3Å; V27-L85 HydrophobicContact CG1-CB 4Å; V27-L85 HydrophobicContact CG2-CB 4.5Å
28T95.4Very high92.6Very high51 Ų5144.5 Ų44.531%0.31326%0.255SS..EExtended strand (participates in β ladder)trans-118.4-24.3178.356.80000112.1S26 L48 S49 A83S26-T28 PolarHBondContact O-N 2.87Å; T28-L48 WeakPolarHBondContact O-CA 3.44Å; T28-S49 PolarHBondContact O-N 2.9Å; T28-A83 PolarHBondContact N-O 3.36Å; T28-A83 PolarHBondContact OG1-O 3.27Å
29H96.4Very high91.9Very high19 Ų1944 Ų449%0.08826%0.257CS..EExtended strand (participates in β ladder)trans-123.8133.6-177.4-69.864.4000110.5V27 S49 F73 A77 A83 A84 L85V27-H29 WeakPolarHBondContact CG1-O 3.35Å; H29-S49 CarbonylContact C-O 3.5Å; H29-S49 VanDerWaalsContact CA-O 3.31Å; H29-S49 WeakPolarHBondContact CA-O 3.43Å; H29-S49 WeakPolarHBondContact CD2-CB 3.42Å; H29-S49 VanDerWaalsContact NE2-CB 3.32Å; H29-S49 WeakPolarHBondContact NE2-CB 2.93Å; H29-S49 PolarHBondContact NE2-OG 2.94Å; H29-F73 HydrophobicContact CB-CE1 3.78Å; H29-F73 HydrophobicContact CB-CZ 3.8Å; H29-F73 AromaticContact CD2-CE2 3.65Å; H29-F73 AromaticContact CD2-CZ 3.76Å; H29-A77 HydrophobicContact CB-CB 3.62Å; H29-A77 VanDerWaalsContact CG-CB 3.43Å; H29-A77 VanDerWaalsContact ND1-CB 3.31Å; H29-A77 WeakPolarHBondContact ND1-CB 3.34Å; H29-A83 PolarHBondContact N-O 3.04Å; H29-A84 HydrophobicContact CB-CB 4.27Å; H29-A84 WeakPolarHBondContact O-CA 3.47Å; H29-L85 PolarHBondContact O-N 2.85Å
30I95.9Very high91Very high0 Ų044.3 Ų44.30%027%0.268CS..EExtended strand (participates in β ladder)trans-119.8119.3174.3-62.2-177.7000108.8L16 V27 L42 L48 S49 R50 K51 F73L16-I30 HydrophobicContact CD2-CD1 4.12Å; L16-I30 HydrophobicContact CD2-CG2 4Å; V27-I30 HydrophobicContact CG1-CG1 4.19Å; I30-L42 HydrophobicContact CD1-CD1 4.29Å; I30-L42 HydrophobicContact CD1-CD2 3.64Å; I30-L48 HydrophobicContact CD1-CD1 3.63Å; I30-L48 HydrophobicContact CG1-CD1 4.34Å; I30-S49 PolarHBondContact N-O 3.48Å; I30-R50 WeakPolarHBondContact O-CA 3.4Å; I30-K51 PolarHBondContact O-N 2.9Å; I30-F73 WeakPolarHBondContact O-CZ 3.49Å
31L97.6Very high90Very high0 Ų039.6 Ų39.60%025%0.247CC..EExtended strand (participates in β ladder)trans-104.6105.9172.1-179.957.9000109.1V33 K51 I53 C70 F73 I74 L85 V86 H87 I98L31-V33 HydrophobicContact CG-CG2 4.05Å; L31-K51 WeakPolarHBondContact CA-O 3.22Å; L31-K51 HydrophobicContact CD1-CB 3.84Å; L31-K51 HydrophobicContact CD1-CD 3.9Å; L31-K51 HydrophobicContact CD1-CG 3.89Å; L31-I53 HydrophobicContact CD1-CG1 4.31Å; L31-C70 HydrophobicContact CD2-CB 3.75Å; L31-F73 HydrophobicContact CB-CD1 3.97Å; L31-F73 HydrophobicContact CB-CE1 3.82Å; L31-F73 HydrophobicContact CD1-CD1 4.37Å; L31-I74 HydrophobicContact CD2-CD1 4.03Å; L31-I74 HydrophobicContact CD2-CG1 4.16Å; L31-L85 PolarHBondContact N-O 2.81Å; L31-V86 HydrophobicContact CB-CG1 4.42Å; L31-V86 HydrophobicContact CB-CG2 4.28Å; L31-V86 HydrophobicContact CD2-CG1 4.05Å; L31-V86 HydrophobicContact CD2-CG2 4.18Å; L31-V86 HydrophobicContact CG-CG1 4.27Å; L31-V86 WeakPolarHBondContact O-CA 3.39Å; L31-H87 PolarHBondContact O-N 2.92Å; L31-I98 HydrophobicContact CD2-CG2 3.79Å
32S96.9Very high88.8Confident2 Ų239 Ų391%0.01424%0.24CC..EExtended strand (participates in β ladder)trans-93.8120.9177.7-550000109.6P38 K51 W52 I53 H87S32-P38 WeakPolarHBondContact OG-CB 3.48Å; S32-P38 WeakPolarHBondContact OG-CG 3.42Å; S32-K51 PolarHBondContact N-O 3.42Å; S32-W52 CarbonylContact O-C 3.41Å; S32-W52 WeakPolarHBondContact O-CA 3.5Å; S32-I53 PolarHBondContact O-N 3.28Å; S32-H87 WeakPolarHBondContact CA-NE2 3.16Å; S32-H87 VanDerWaalsContact CB-NE2 3.3Å; S32-H87 WeakPolarHBondContact CB-NE2 3.24Å; S32-H87 PolarHBondContact OG-NE2 3.36Å
33V97.6Very high87.3Confident0 Ų040.4 Ų40.40%025%0.25CC..EExtended strand (participates in β ladder)trans-119.579.3179.1-167.40000107.6L31 I53 V55 L63 V86 H87 C88 R94 I98L31-V33 HydrophobicContact CG-CG2 4.05Å; V33-I53 HydrophobicContact CG1-CB 4.42Å; V33-V55 HydrophobicContact CG1-CG1 3.6Å; V33-L63 HydrophobicContact CG1-CD1 4.46Å; V33-L63 HydrophobicContact CG1-CD2 3.56Å; V33-V86 HydrophobicContact CG2-CG1 4.35Å; V33-H87 PolarHBondContact N-O 3.33Å; V33-C88 WeakPolarHBondContact O-CB 3.49Å; V33-R94 HydrophobicContact CB-CB 4.34Å; V33-R94 HydrophobicContact CG1-CB 3.87Å; V33-I98 HydrophobicContact CG1-CG1 4.34Å; V33-I98 HydrophobicContact CG2-CG1 4.01Å
34D94.3Very high85.9Confident6 Ų641 Ų413%0.03227%0.267CS..EExtended strand (participates in β ladder)trans-152.7162.6-170.4-140.2-39.6000111.9V36 W52 I53 D54 V55 C88 Q89 R94D34-V36 VanDerWaalsContact C-N 3.34Å; D34-W52 PolarHBondContact O-NE1 2.83Å; D34-I53 PolarHBondContact N-O 3.33Å; D34-I53 VanDerWaalsContact N-O 3.15Å; D34-I53 VanDerWaalsContact O-O 3.04Å; D34-D54 WeakPolarHBondContact O-CA 3.37Å; D34-V55 CarbonylContact C-O 3.57Å; D34-V55 PolarHBondContact O-N 3.02Å; D34-C88 VanDerWaalsContact OD2-C 3.24Å; D34-Q89 VanDerWaalsContact OD2-CA 3.27Å; D34-Q89 WeakPolarHBondContact OD2-CA 3.4Å; D34-Q89 WeakPolarHBondContact OD2-CB 3.05Å; D34-Q89 PolarHBondContact OD2-N 2.92Å; D34-R94 IonicContact OD1-CZ 3.9Å; D34-R94 IonicContact OD1-NH1 3.2Å; D34-R94 PolarHBondContact OD1-NH1 3.39Å; D34-R94 IonicContact OD1-NH2 3.23Å; D34-R94 PolarHBondContact OD1-NH2 2.93Å; D34-R94 IonicContact OD2-NH2 3.95Å
35S91.4Very high84.3Confident48 Ų4842.4 Ų42.434%0.33626%0.263SS..SBendtrans-88-7.8174.256.60000112.9D54 V55S35-D54 WeakPolarHBondContact CA-OD1 3.32Å; S35-V55 PolarHBondContact N-O 3.36Å
36V87.2Confident83Confident70 Ų7045.2 Ų45.242%0.42427%0.27SS..SBendtrans-99.7128.1176.2-177.90000108.6D34 P38D34-V36 VanDerWaalsContact C-N 3.34Å; V36-P38 WeakPolarHBondContact O-CD 3.19Å
37D84.9Confident82.2Confident62 Ų6252 Ų5233%0.33229%0.291SS..  trans-59.2119176.6-179.8-1.5000110.5S39 W52D37-S39 PolarHBondContact O-N 3.11Å; D37-S39 WeakPolarHBondContact OD1-CB 3.22Å; D37-S39 PolarHBondContact OD1-N 3.33Å; D37-S39 PolarHBondContact OD1-OG 3.3Å; D37-S39 VanDerWaalsContact OD1-OG 3.08Å; D37-S39 PolarHBondContact OD2-OG 2.82Å; D37-W52 HydrophobicContact CB-CH2 3.99Å; D37-W52 HydrophobicContact CB-CZ2 4.31Å; D37-W52 HydrophobicContact CB-CZ3 4.16Å
38P80.8Confident81.8Confident10 Ų1053.1 Ų53.17%0.06530%0.297CS..G310 helixtrans-69.7-12.5-179.731.8-39.5000113.4S32 V36 L40 L41 L42 W52S32-P38 WeakPolarHBondContact OG-CB 3.48Å; S32-P38 WeakPolarHBondContact OG-CG 3.42Å; V36-P38 WeakPolarHBondContact O-CD 3.19Å; P38-L40 PolarHBondContact O-N 3.4Å; P38-L40 VanDerWaalsContact O-N 3.17Å; P38-L41 PolarHBondContact O-N 3.45Å; P38-L42 HydrophobicContact CB-CD1 4.28Å; P38-L42 PolarHBondContact O-N 2.94Å; P38-W52 HydrophobicContact CG-CB 4.08Å; P38-W52 HydrophobicContact CG-CG 4.03Å
39S76.5Confident81.7Confident66 Ų6653.4 Ų53.446%0.46230%0.301SS..G310 helixtrans-57.3-29.2177.975.30000112.6D37 L41D37-S39 PolarHBondContact O-N 3.11Å; D37-S39 WeakPolarHBondContact OD1-CB 3.22Å; D37-S39 PolarHBondContact OD1-N 3.33Å; D37-S39 PolarHBondContact OD1-OG 3.3Å; D37-S39 VanDerWaalsContact OD1-OG 3.08Å; D37-S39 PolarHBondContact OD2-OG 2.82Å; S39-L41 VanDerWaalsContact C-N 3.28Å; S39-L41 PolarHBondContact O-N 2.96Å
40L67.3Low81.5Confident139 Ų13957.3 Ų57.373%0.72832%0.315SS*.G310 helixtrans-73.1-19.5176.7-58.5177.7000113.3P38P38-L40 PolarHBondContact O-N 3.4Å; P38-L40 VanDerWaalsContact O-N 3.17Å
41L69.4Low81.5Confident61 Ų6160.5 Ų60.532%0.31933%0.328SS..THydrogen-bonded Turntrans-108.4-10.4-171.6-59.1176.3000112.9A13 L16 P38 S39A13-L41 HydrophobicContact CB-CD1 4.4Å; L16-L41 HydrophobicContact CD1-CB 3.94Å; L16-L41 HydrophobicContact CD1-CD1 4.29Å; P38-L41 PolarHBondContact O-N 3.45Å; S39-L41 VanDerWaalsContact C-N 3.28Å; S39-L41 PolarHBondContact O-N 2.96Å
42L67.4Low81.4Confident16 Ų1665.1 Ų65.18%0.08435%0.346CS..SBendtrans-110131.1-172.8-71.6173.5000112.5L16 I30 P38 R50L16-L42 HydrophobicContact CB-CD2 4.01Å; L16-L42 HydrophobicContact CD1-CD2 3.99Å; L16-L42 HydrophobicContact CD1-CG 4.14Å; L16-L42 HydrophobicContact CD2-CD2 4.01Å; L16-L42 HydrophobicContact CG-CD2 4.23Å; I30-L42 HydrophobicContact CD1-CD1 4.29Å; I30-L42 HydrophobicContact CD1-CD2 3.64Å; P38-L42 HydrophobicContact CB-CD1 4.28Å; P38-L42 PolarHBondContact O-N 2.94Å; L42-R50 HydrophobicContact CD1-CG 4.33Å
43P61.8Low81.4Confident35 Ų3565.5 Ų65.523%0.22735%0.348CS..  trans-57.9140173-24.934.9000113R19 D45 R50R19-P43 VanDerWaalsContact NH2-CG 3.27Å; P43-D45 VanDerWaalsContact C-N 3.26Å; P43-D45 WeakPolarHBondContact CB-OD1 3.22Å; P43-D45 PolarHBondContact O-N 3.04Å; P43-R50 PolarHBondContact O-NH2 3.14Å
44A61.8Low81.3Confident103 Ų10370.6 Ų70.685%0.85138%0.375SS*.THydrogen-bonded Turntrans-76.3-9.5179.900000114.2
45D62Low81.3Confident117 Ų11770.9 Ų70.963%0.62638%0.377SS*.THydrogen-bonded Turntrans-89.1-13.4-16655.90.5000114.7R19 P43R19-D45 IonicContact CZ-OD2 3.48Å; R19-D45 IonicContact NH1-OD2 3.15Å; R19-D45 PolarHBondContact NH1-OD2 3.34Å; R19-D45 IonicContact NH2-OD2 2.62Å; P43-D45 VanDerWaalsContact C-N 3.26Å; P43-D45 WeakPolarHBondContact CB-OD1 3.22Å; P43-D45 PolarHBondContact O-N 3.04Å
46R66.3Low81.5Confident71 Ų7172.4 Ų72.427%0.26838%0.381SS..SBendtrans-109.1131.1-175.9-162.5175.6162.7164.40.5112.8D23 V27 L48D23-R46 IonicContact OD1-CZ 2.69Å; D23-R46 IonicContact OD1-NH1 3.2Å; D23-R46 PolarHBondContact OD1-NH1 3.21Å; D23-R46 IonicContact OD1-NH2 3.83Å; D23-R46 PolarHBondContact OD1-NH2 2.99Å; D23-R46 VanDerWaalsContact OD1-NH2 3.16Å; V27-R46 PolarHBondContact O-NH2 3.11Å; R46-L48 HydrophobicContact CB-CD1 4.43Å; R46-L48 HydrophobicContact CB-CG 4.2Å; R46-L48 HydrophobicContact CG-CD1 4.34Å; R46-L48 HydrophobicContact CG-CD2 4.28Å; R46-L48 HydrophobicContact CG-CG 3.84Å; R46-L48 PolarHBondContact O-N 3.45Å
47K78.8Confident81.9Confident215 Ų21572.6 Ų72.694%0.93538%0.379SS*.  trans-69.378168.4-68.6-175.7-178.9-179.60110.1
48L88.4Confident82.4Confident25 Ų2574.6 Ų74.613%0.13139%0.387CS..  trans-104134.5170.3-68.8173.7000109V27 T28 I30 R46 R50V27-L48 WeakPolarHBondContact O-CD2 3.34Å; T28-L48 WeakPolarHBondContact O-CA 3.44Å; I30-L48 HydrophobicContact CD1-CD1 3.63Å; I30-L48 HydrophobicContact CG1-CD1 4.34Å; R46-L48 HydrophobicContact CB-CD1 4.43Å; R46-L48 HydrophobicContact CB-CG 4.2Å; R46-L48 HydrophobicContact CG-CD1 4.34Å; R46-L48 HydrophobicContact CG-CD2 4.28Å; R46-L48 HydrophobicContact CG-CG 3.84Å; R46-L48 PolarHBondContact O-N 3.45Å; L48-R50 HydrophobicContact CB-CG 4.39Å
49S92.9Very high82.9Confident56 Ų5676.2 Ų76.239%0.39240%0.401SS..EExtended strand (participates in β ladder)trans-71.9130.3165.3-67.90000108.5T28 H29 I30T28-S49 PolarHBondContact O-N 2.9Å; H29-S49 CarbonylContact C-O 3.5Å; H29-S49 VanDerWaalsContact CA-O 3.31Å; H29-S49 WeakPolarHBondContact CA-O 3.43Å; H29-S49 WeakPolarHBondContact CD2-CB 3.42Å; H29-S49 VanDerWaalsContact NE2-CB 3.32Å; H29-S49 WeakPolarHBondContact NE2-CB 2.93Å; H29-S49 PolarHBondContact NE2-OG 2.94Å; I30-S49 PolarHBondContact N-O 3.48Å
50R92.3Very high83.5Confident102 Ų10275.2 Ų75.239%0.38540%0.397SS..EExtended strand (participates in β ladder)trans-128.1136.5-174.5-59.3171-163.1-167.6-0.8109.3I30 L42 P43 L48I30-R50 WeakPolarHBondContact O-CA 3.4Å; L42-R50 HydrophobicContact CD1-CG 4.33Å; P43-R50 PolarHBondContact O-NH2 3.14Å; L48-R50 HydrophobicContact CB-CG 4.39Å
51K95.5Very high84.8Confident66 Ų6669.1 Ų69.129%0.28737%0.366SS..EExtended strand (participates in β ladder)trans-133.1130.1170.4-174.7-179.8-177.188.30108I30 L31 S32 F73I30-K51 PolarHBondContact O-N 2.9Å; L31-K51 WeakPolarHBondContact CA-O 3.22Å; L31-K51 HydrophobicContact CD1-CB 3.84Å; L31-K51 HydrophobicContact CD1-CD 3.9Å; L31-K51 HydrophobicContact CD1-CG 3.89Å; S32-K51 PolarHBondContact N-O 3.42Å; K51-F73 HydrophobicContact CB-CD1 4.15Å; K51-F73 HydrophobicContact CB-CD2 3.84Å; K51-F73 HydrophobicContact CB-CE1 4Å; K51-F73 HydrophobicContact CB-CE2 3.66Å; K51-F73 HydrophobicContact CB-CG 4.06Å; K51-F73 HydrophobicContact CB-CZ 3.74Å; K51-F73 HydrophobicContact CD-CB 3.91Å; K51-F73 HydrophobicContact CD-CD1 4.41Å; K51-F73 HydrophobicContact CD-CD2 4.09Å; K51-F73 HydrophobicContact CD-CG 3.88Å
52W96.2Very high86Confident97 Ų9767.8 Ų67.837%0.36736%0.359SS..EExtended strand (participates in β ladder)trans-117.5131.4178.1175.937.8000109.7S32 D34 D37 P38 D54S32-W52 CarbonylContact O-C 3.41Å; S32-W52 WeakPolarHBondContact O-CA 3.5Å; D34-W52 PolarHBondContact O-NE1 2.83Å; D37-W52 HydrophobicContact CB-CH2 3.99Å; D37-W52 HydrophobicContact CB-CZ2 4.31Å; D37-W52 HydrophobicContact CB-CZ3 4.16Å; P38-W52 HydrophobicContact CG-CB 4.08Å; P38-W52 HydrophobicContact CG-CG 4.03Å; W52-D54 HydrophobicContact CH2-CB 4.03Å; W52-D54 HydrophobicContact CZ2-CB 3.55Å
53I96.8Very high87.4Confident11 Ų1167 Ų676%0.05636%0.355CS..EExtended strand (participates in β ladder)trans-112.3109169.5-52.1-58.6000106.7L31 S32 V33 D34 V55 L63 H66L31-I53 HydrophobicContact CD1-CG1 4.31Å; S32-I53 PolarHBondContact O-N 3.28Å; V33-I53 HydrophobicContact CG1-CB 4.42Å; D34-I53 PolarHBondContact N-O 3.33Å; D34-I53 VanDerWaalsContact N-O 3.15Å; D34-I53 VanDerWaalsContact O-O 3.04Å; I53-V55 HydrophobicContact CG2-CB 4.39Å; I53-V55 HydrophobicContact CG2-CG1 4.27Å; I53-V55 PolarHBondContact O-N 2.94Å; I53-L63 HydrophobicContact CG2-CD2 4.24Å; I53-H66 HydrophobicContact CD1-CB 4.16Å; I53-H66 HydrophobicContact CG1-CB 4.5Å; I53-H66 HydrophobicContact CG2-CB 4.38Å
54D95.2Very high89.1Confident107 Ų10765.3 Ų65.357%0.57234%0.344SS*.EExtended strand (participates in β ladder)trans-74.8104.8178.4-175.910.1000110.3D34 S35 W52D34-D54 WeakPolarHBondContact O-CA 3.37Å; S35-D54 WeakPolarHBondContact CA-OD1 3.32Å; W52-D54 HydrophobicContact CH2-CB 4.03Å; W52-D54 HydrophobicContact CZ2-CB 3.55Å
55V94.8Very high90.7Very high11 Ų1162.1 Ų62.17%0.06732%0.315CS..  trans-157135.9-172.172.60000113.4V33 D34 S35 I53 S61 L63 R94V33-V55 HydrophobicContact CG1-CG1 3.6Å; D34-V55 CarbonylContact C-O 3.57Å; D34-V55 PolarHBondContact O-N 3.02Å; S35-V55 PolarHBondContact N-O 3.36Å; I53-V55 HydrophobicContact CG2-CB 4.39Å; I53-V55 HydrophobicContact CG2-CG1 4.27Å; I53-V55 PolarHBondContact O-N 2.94Å; V55-S61 VanDerWaalsContact CG2-CB 3.5Å; V55-L63 HydrophobicContact CB-CD2 4.41Å; V55-L63 HydrophobicContact CG1-CD2 3.8Å; V55-L63 HydrophobicContact CG2-CD2 4.2Å; V55-L63 HydrophobicContact CG2-CG 4.4Å; V55-R94 HydrophobicContact CG1-CG 4.37Å; V55-R94 WeakPolarHBondContact O-CD 3.42Å; V55-R94 PolarHBondContact O-NH1 3.04Å
56L94.8Very high92.4Very high81 Ų8159.8 Ų59.842%0.42430%0.3SS..  trans-79.8158.1173.6-66.2167.8000111.2E58 S61L56-E58 HydrophobicContact CB-CG 4.08Å; L56-E58 PolarHBondContact O-N 3.47Å; L56-E58 VanDerWaalsContact O-N 3.1Å; L56-S61 WeakPolarHBondContact O-CB 3.32Å; L56-S61 PolarHBondContact O-OG 3.28Å
57D96.3Very high93.9Very high73 Ų7356.6 Ų56.639%0.3929%0.289SS..SBendtrans-86.961.4175.2-162.44.1000111.5S93 R94 N128D57-S93 WeakPolarHBondContact OD1-CB 3.4Å; D57-S93 PolarHBondContact OD1-OG 3.49Å; D57-S93 WeakPolarHBondContact OD2-CB 3.44Å; D57-R94 HydrophobicContact CB-CG 4.19Å; D57-N128 PolarHBondContact OD1-ND2 3.46Å
58E94.8Very high94.8Very high105 Ų10548 Ų4849%0.49125%0.253SS..SBendtrans-129.5147.2-174-65.7178.2-173.800110.7L56 A60 S61L56-E58 HydrophobicContact CB-CG 4.08Å; L56-E58 PolarHBondContact O-N 3.47Å; L56-E58 VanDerWaalsContact O-N 3.1Å; E58-A60 PolarHBondContact O-N 2.93Å; E58-A60 VanDerWaalsContact O-N 3.15Å; E58-S61 VanDerWaalsContact O-CB 3.26Å; E58-S61 WeakPolarHBondContact O-CB 3.27Å; E58-S61 PolarHBondContact O-N 3.46Å
59A91.8Very high95.3Very high44 Ų4449 Ų4936%0.36427%0.265SS..THydrogen-bonded Turntrans-59.8-28.4-179.700000113.3S61 K159A59-S61 VanDerWaalsContact C-N 3.3Å; A59-S61 PolarHBondContact O-N 3.39Å; A59-K159 PolarHBondContact O-NZ 2.66Å; A59-K159 VanDerWaalsContact O-NZ 3.07Å
60A89.6Confident95.6Very high44 Ų4446.4 Ų46.436%0.36425%0.247SC..THydrogen-bonded Turntrans-73.4-19.1176.400000113.2E58 K159E58-A60 PolarHBondContact O-N 2.93Å; E58-A60 VanDerWaalsContact O-N 3.15Å; A60-K159 VanDerWaalsContact C-NZ 3.27Å; A60-K159 WeakPolarHBondContact O-CD 3.24Å; A60-K159 PolarHBondContact O-NZ 2.69Å
61S93.1Very high95.9Very high12 Ų1243.1 Ų43.18%0.08424%0.235CC..SBendtrans-68.3152.5-178.5-71.70000113V55 L56 E58 A59 Q134V55-S61 VanDerWaalsContact CG2-CB 3.5Å; L56-S61 WeakPolarHBondContact O-CB 3.32Å; L56-S61 PolarHBondContact O-OG 3.28Å; E58-S61 VanDerWaalsContact O-CB 3.26Å; E58-S61 WeakPolarHBondContact O-CB 3.27Å; E58-S61 PolarHBondContact O-N 3.46Å; A59-S61 VanDerWaalsContact C-N 3.3Å; A59-S61 PolarHBondContact O-N 3.39Å; S61-Q134 PolarHBondContact O-NE2 2.85Å
62D95.1Very high96Very high32 Ų3243.7 Ų43.717%0.17124%0.244CC..  trans-106.2113.9179.9-178.6-0.5000110.4L64 S65 H66 Y155D62-L64 PolarHBondContact OD1-N 3.49Å; D62-L64 VanDerWaalsContact OD1-N 3.12Å; D62-S65 VanDerWaalsContact CG-OG 3.26Å; D62-S65 WeakPolarHBondContact OD1-CB 3.48Å; D62-S65 PolarHBondContact OD1-N 3.05Å; D62-S65 PolarHBondContact OD1-OG 3.36Å; D62-S65 VanDerWaalsContact OD2-CB 3.24Å; D62-S65 WeakPolarHBondContact OD2-CB 3.43Å; D62-S65 PolarHBondContact OD2-OG 3.39Å; D62-H66 PolarHBondContact O-CD2 3.34Å; D62-Y155 PolarHBondContact OD1-OH 3.25Å
63L97.5Very high96.1Very high0 Ų039.9 Ų39.90%023%0.23CC..  trans-111-25.2167.4-77.2-179.2000112.2V33 I53 V55 S65 H66 M67 R94 T97 I98 F131V33-L63 HydrophobicContact CG1-CD1 4.46Å; V33-L63 HydrophobicContact CG1-CD2 3.56Å; I53-L63 HydrophobicContact CG2-CD2 4.24Å; V55-L63 HydrophobicContact CB-CD2 4.41Å; V55-L63 HydrophobicContact CG1-CD2 3.8Å; V55-L63 HydrophobicContact CG2-CD2 4.2Å; V55-L63 HydrophobicContact CG2-CG 4.4Å; L63-S65 VanDerWaalsContact C-N 3.3Å; L63-S65 PolarHBondContact O-N 3.38Å; L63-H66 PolarHBondContact O-N 2.87Å; L63-M67 WeakPolarHBondContact O-CG 3.48Å; L63-M67 PolarHBondContact O-N 2.88Å; L63-R94 HydrophobicContact CD1-CB 4.48Å; L63-R94 HydrophobicContact CD1-CG 4.48Å; L63-T97 HydrophobicContact CB-CG2 4.5Å; L63-T97 HydrophobicContact CD1-CG2 3.9Å; L63-I98 HydrophobicContact CD2-CD1 4.31Å; L63-F131 HydrophobicContact CB-CD1 4.35Å; L63-F131 HydrophobicContact CB-CE1 4.28Å; L63-F131 HydrophobicContact CD1-CD1 3.88Å; L63-F131 HydrophobicContact CD1-CD2 3.91Å; L63-F131 HydrophobicContact CD1-CE1 3.65Å; L63-F131 HydrophobicContact CD1-CE2 3.69Å; L63-F131 HydrophobicContact CD1-CG 4.03Å; L63-F131 HydrophobicContact CD1-CZ 3.57Å; L63-F131 HydrophobicContact CG-CD1 4.19Å; L63-F131 HydrophobicContact CG-CE1 3.74Å; L63-F131 HydrophobicContact CG-CZ 3.96Å
64L97.7Very high96.2Very high0 Ų039.4 Ų39.40%023%0.228CC..G310 helixtrans-53.9-47.3-179.418056.6000111.4D62 H66 M67 Q134 L137 Y138 M141 V145 Y152 Y155D62-L64 PolarHBondContact OD1-N 3.49Å; D62-L64 VanDerWaalsContact OD1-N 3.12Å; L64-H66 PolarHBondContact O-N 2.86Å; L64-M67 HydrophobicContact CD1-CE 4.28Å; L64-M67 HydrophobicContact CD1-SD 3.67Å; L64-M67 PolarHBondContact O-N 3.1Å; L64-M67 VanDerWaalsContact O-N 3.13Å; L64-Q134 HydrophobicContact CB-CB 4.06Å; L64-Q134 HydrophobicContact CB-CG 3.97Å; L64-L137 HydrophobicContact CD2-CB 4.18Å; L64-L137 HydrophobicContact CD2-CD2 3.47Å; L64-L137 VanDerWaalsContact CD2-CD2 3.47Å; L64-L137 HydrophobicContact CD2-CG 3.8Å; L64-Y138 HydrophobicContact CD1-CD2 3.82Å; L64-Y138 HydrophobicContact CD1-CG 4.13Å; L64-M141 HydrophobicContact CD1-CE 4.11Å; L64-M141 HydrophobicContact CD2-CE 4.14Å; L64-M141 HydrophobicContact CG-CE 4.49Å; L64-V145 HydrophobicContact CD1-CG2 4.26Å; L64-V145 WeakPolarHBondContact O-CG2 3.44Å; L64-Y152 HydrophobicContact CD2-CD2 4.03Å; L64-Y152 HydrophobicContact CD2-CE2 4.14Å; L64-Y152 HydrophobicContact CG-CD2 4.4Å; L64-Y152 HydrophobicContact CG-CE2 4.1Å; L64-Y155 HydrophobicContact CB-CE1 3.91Å; L64-Y155 HydrophobicContact CD2-CD1 3.85Å; L64-Y155 HydrophobicContact CD2-CD2 4.29Å; L64-Y155 HydrophobicContact CD2-CE1 3.83Å; L64-Y155 HydrophobicContact CD2-CE2 4.26Å; L64-Y155 HydrophobicContact CD2-CG 4.1Å; L64-Y155 HydrophobicContact CG-CE1 4.29Å
65S95.6Very high96.4Very high36 Ų3634.9 Ų34.925%0.25220%0.203SC..G310 helixtrans-62.9-12.4-179.5-58.30000113.9D62 L63 Y152D62-S65 VanDerWaalsContact CG-OG 3.26Å; D62-S65 WeakPolarHBondContact OD1-CB 3.48Å; D62-S65 PolarHBondContact OD1-N 3.05Å; D62-S65 PolarHBondContact OD1-OG 3.36Å; D62-S65 VanDerWaalsContact OD2-CB 3.24Å; D62-S65 WeakPolarHBondContact OD2-CB 3.43Å; D62-S65 PolarHBondContact OD2-OG 3.39Å; L63-S65 VanDerWaalsContact C-N 3.3Å; L63-S65 PolarHBondContact O-N 3.38Å; S65-Y152 WeakPolarHBondContact CA-OH 3.42Å; S65-Y152 VanDerWaalsContact CB-OH 3.28Å; S65-Y152 WeakPolarHBondContact CB-OH 3Å; S65-Y152 PolarHBondContact OG-OH 3.36Å
66H97.3Very high96.5Very high67 Ų6739.2 Ų39.231%0.3122%0.223SC..G310 helixtrans-106.5-11.7179.9-58.4-68.4000113.9I53 D62 L63 L64 D68 A69 C70I53-H66 HydrophobicContact CD1-CB 4.16Å; I53-H66 HydrophobicContact CG1-CB 4.5Å; I53-H66 HydrophobicContact CG2-CB 4.38Å; D62-H66 PolarHBondContact O-CD2 3.34Å; L63-H66 PolarHBondContact O-N 2.87Å; L64-H66 PolarHBondContact O-N 2.86Å; H66-D68 PolarHBondContact O-N 3.45Å; H66-A69 PolarHBondContact O-N 3.29Å; H66-C70 WeakPolarHBondContact O-CB 3.37Å; H66-C70 PolarHBondContact O-N 2.97Å; H66-C70 PolarHBondContact O-SG 2.84Å
67M98.2Very high96.6Very high4 Ų435.4 Ų35.42%0.0220%0.203CC..Hα-helixtrans-56.7-45.1-169.9-70.9-177.517900113.2L63 L64 C70 F71 T97 I98 A101 Q134 L135 Y138L63-M67 WeakPolarHBondContact O-CG 3.48Å; L63-M67 PolarHBondContact O-N 2.88Å; L64-M67 HydrophobicContact CD1-CE 4.28Å; L64-M67 HydrophobicContact CD1-SD 3.67Å; L64-M67 PolarHBondContact O-N 3.1Å; L64-M67 VanDerWaalsContact O-N 3.13Å; M67-C70 WeakPolarHBondContact O-CB 3.47Å; M67-C70 PolarHBondContact O-N 3.43Å; M67-F71 WeakPolarHBondContact O-CB 3.47Å; M67-F71 PolarHBondContact O-N 3.43Å; M67-T97 HydrophobicContact CE-CG2 4.05Å; M67-I98 HydrophobicContact CG-CD1 4.34Å; M67-A101 HydrophobicContact CB-CB 4.33Å; M67-A101 HydrophobicContact CE-CB 4.24Å; M67-A101 HydrophobicContact CG-CB 3.94Å; M67-A101 HydrophobicContact SD-CB 3.67Å; M67-Q134 HydrophobicContact CE-CB 4.25Å; M67-L135 HydrophobicContact CE-CD2 3.68Å; M67-L135 HydrophobicContact CE-CG 4.14Å; M67-L135 HydrophobicContact SD-CD2 4.36Å; M67-Y138 HydrophobicContact CB-CD2 4.45Å; M67-Y138 HydrophobicContact CB-CE2 3.99Å; M67-Y138 HydrophobicContact SD-CD1 3.79Å; M67-Y138 HydrophobicContact SD-CD2 3.89Å; M67-Y138 HydrophobicContact SD-CE1 4.2Å; M67-Y138 HydrophobicContact SD-CE2 4.3Å; M67-Y138 HydrophobicContact SD-CG 3.58Å; M67-Y138 VanDerWaalsContact SD-CG 3.58Å
68D98Very high96.7Very high35 Ų3533.6 Ų33.619%0.18719%0.194CC..Hα-helixtrans-67.8-43179.9-78.8-25.7000112.9H66 C70 F71 V72 K105 Y138 V145H66-D68 PolarHBondContact O-N 3.45Å; D68-C70 VanDerWaalsContact C-N 3.27Å; D68-C70 PolarHBondContact O-N 3.34Å; D68-F71 WeakPolarHBondContact O-CB 3.43Å; D68-F71 PolarHBondContact O-N 3.24Å; D68-V72 WeakPolarHBondContact O-CG2 3.49Å; D68-V72 PolarHBondContact O-N 3.32Å; D68-K105 IonicContact OD1-NZ 3.16Å; D68-K105 PolarHBondContact OD1-NZ 3.08Å; D68-Y138 PolarHBondContact OD1-OH 3.45Å; D68-V145 WeakPolarHBondContact OD2-CB 3.31Å; D68-V145 PolarHBondContact OD2-N 3.38Å
69A98.1Very high96.8Very high46 Ų4636.3 Ų36.338%0.3820%0.204SC..Hα-helixtrans-65.7-33.6176.900000111.8H66 F73H66-A69 PolarHBondContact O-N 3.29Å; A69-F73 WeakPolarHBondContact O-CB 3.26Å; A69-F73 PolarHBondContact O-N 3.5Å
70C98.5Very high97Very high1 Ų138 Ų381%0.00722%0.218CC..Hα-helixtrans-68.8-42.6172.5-71.10000111.6L31 H66 M67 D68 V72 F73 I74 I98L31-C70 HydrophobicContact CD2-CB 3.75Å; H66-C70 WeakPolarHBondContact O-CB 3.37Å; H66-C70 PolarHBondContact O-N 2.97Å; H66-C70 PolarHBondContact O-SG 2.84Å; M67-C70 WeakPolarHBondContact O-CB 3.47Å; M67-C70 PolarHBondContact O-N 3.43Å; D68-C70 VanDerWaalsContact C-N 3.27Å; D68-C70 PolarHBondContact O-N 3.34Å; C70-V72 PolarHBondContact O-N 3.41Å; C70-F73 PolarHBondContact O-N 3.27Å; C70-I74 WeakPolarHBondContact O-CD1 3.34Å; C70-I74 VanDerWaalsContact O-CG1 3.26Å; C70-I74 WeakPolarHBondContact O-CG1 3.48Å; C70-I74 PolarHBondContact O-N 3.22Å; C70-I98 HydrophobicContact CB-CD1 4.37Å; C70-I98 HydrophobicContact CB-CG2 3.84Å
71F98.6Very high97.3Very high33 Ų3339.3 Ų39.315%0.14524%0.236CC..Hα-helixtrans-58.4-48.7176177.1-92.9000111.7M67 D68 F73 I74 E75 Y102 K105 K106M67-F71 WeakPolarHBondContact O-CB 3.47Å; M67-F71 PolarHBondContact O-N 3.43Å; D68-F71 WeakPolarHBondContact O-CB 3.43Å; D68-F71 PolarHBondContact O-N 3.24Å; F71-F73 VanDerWaalsContact C-N 3.34Å; F71-F73 PolarHBondContact O-N 3.4Å; F71-I74 PolarHBondContact O-N 3.25Å; F71-E75 HydrophobicContact CD1-CG 4.1Å; F71-E75 HydrophobicContact CD2-CG 4.49Å; F71-E75 HydrophobicContact CE1-CG 3.65Å; F71-E75 HydrophobicContact CE2-CG 4.08Å; F71-E75 HydrophobicContact CZ-CG 3.63Å; F71-E75 WeakPolarHBondContact O-CB 3.48Å; F71-E75 WeakPolarHBondContact O-CG 3.34Å; F71-E75 PolarHBondContact O-N 2.98Å; F71-Y102 AromaticContact CD2-CD2 3.56Å; F71-Y102 HydrophobicContact CD2-CD2 3.56Å; F71-Y102 HydrophobicContact CD2-CE2 4.12Å; F71-Y102 HydrophobicContact CD2-CG 4.39Å; F71-Y102 AromaticContact CE2-CD2 3.88Å; F71-Y102 HydrophobicContact CE2-CD2 3.88Å; F71-Y102 HydrophobicContact CE2-CE2 4.02Å; F71-K105 HydrophobicContact CB-CD 4.31Å; F71-K105 HydrophobicContact CD1-CD 3.84Å; F71-K105 HydrophobicContact CD2-CB 3.9Å; F71-K105 HydrophobicContact CD2-CD 3.8Å; F71-K105 HydrophobicContact CD2-CG 3.97Å; F71-K105 HydrophobicContact CE1-CD 4.06Å; F71-K105 HydrophobicContact CE1-CG 4.33Å; F71-K105 HydrophobicContact CE2-CB 3.83Å; F71-K105 HydrophobicContact CE2-CD 4.02Å; F71-K105 HydrophobicContact CE2-CG 3.75Å; F71-K105 HydrophobicContact CG-CD 3.71Å; F71-K105 HydrophobicContact CG-CG 4.36Å; F71-K105 HydrophobicContact CZ-CD 4.15Å; F71-K105 HydrophobicContact CZ-CG 3.94Å; F71-K106 HydrophobicContact CE2-CB 4.08Å
72V98.5Very high97.5Very high78 Ų7839.3 Ų39.347%0.47324%0.238SC..Hα-helixtrans-57.6-47.7177.4172.20000110.9D68 C70 I74 E75 E76D68-V72 WeakPolarHBondContact O-CG2 3.49Å; D68-V72 PolarHBondContact O-N 3.32Å; C70-V72 PolarHBondContact O-N 3.41Å; V72-I74 PolarHBondContact O-N 2.99Å; V72-E75 PolarHBondContact O-N 2.89Å; V72-E76 HydrophobicContact CG1-CG 4.44Å; V72-E76 VanDerWaalsContact O-CG 3.31Å; V72-E76 WeakPolarHBondContact O-CG 3.43Å; V72-E76 PolarHBondContact O-N 3.18Å
73F98.6Very high97.6Very high18 Ų1838 Ų388%0.07923%0.231CC..Hα-helixtrans-61.5-39.6179.5-179.9-96.1000113.3H29 I30 L31 K51 A69 C70 F71H29-F73 HydrophobicContact CB-CE1 3.78Å; H29-F73 HydrophobicContact CB-CZ 3.8Å; H29-F73 AromaticContact CD2-CE2 3.65Å; H29-F73 AromaticContact CD2-CZ 3.76Å; I30-F73 WeakPolarHBondContact O-CZ 3.49Å; L31-F73 HydrophobicContact CB-CD1 3.97Å; L31-F73 HydrophobicContact CB-CE1 3.82Å; L31-F73 HydrophobicContact CD1-CD1 4.37Å; K51-F73 HydrophobicContact CB-CD1 4.15Å; K51-F73 HydrophobicContact CB-CD2 3.84Å; K51-F73 HydrophobicContact CB-CE1 4Å; K51-F73 HydrophobicContact CB-CE2 3.66Å; K51-F73 HydrophobicContact CB-CG 4.06Å; K51-F73 HydrophobicContact CB-CZ 3.74Å; K51-F73 HydrophobicContact CD-CB 3.91Å; K51-F73 HydrophobicContact CD-CD1 4.41Å; K51-F73 HydrophobicContact CD-CD2 4.09Å; K51-F73 HydrophobicContact CD-CG 3.88Å; A69-F73 WeakPolarHBondContact O-CB 3.26Å; A69-F73 PolarHBondContact O-N 3.5Å; C70-F73 PolarHBondContact O-N 3.27Å; F71-F73 VanDerWaalsContact C-N 3.34Å; F71-F73 PolarHBondContact O-N 3.4Å
74I98.6Very high97.6Very high0 Ų038 Ų380%023%0.231CC..Hα-helixtrans-67.7-45.7176.1-66163.1000110.2V8 L31 C70 F71 V72 E76 A77 V78 A84 V86 I98 Y102V8-I74 HydrophobicContact CG1-CG2 4.11Å; V8-I74 HydrophobicContact CG2-CG2 3.7Å; L31-I74 HydrophobicContact CD2-CD1 4.03Å; L31-I74 HydrophobicContact CD2-CG1 4.16Å; C70-I74 WeakPolarHBondContact O-CD1 3.34Å; C70-I74 VanDerWaalsContact O-CG1 3.26Å; C70-I74 WeakPolarHBondContact O-CG1 3.48Å; C70-I74 PolarHBondContact O-N 3.22Å; F71-I74 PolarHBondContact O-N 3.25Å; V72-I74 PolarHBondContact O-N 2.99Å; I74-E76 VanDerWaalsContact C-N 3.32Å; I74-E76 PolarHBondContact O-N 3.17Å; I74-A77 WeakPolarHBondContact O-CB 3.36Å; I74-A77 PolarHBondContact O-N 2.85Å; I74-V78 PolarHBondContact O-N 3.02Å; I74-A84 HydrophobicContact CB-CB 4.37Å; I74-A84 HydrophobicContact CG1-CB 4.36Å; I74-A84 HydrophobicContact CG2-CB 4.02Å; I74-V86 HydrophobicContact CD1-CG2 3.68Å; I74-V86 HydrophobicContact CG1-CG2 3.97Å; I74-I98 HydrophobicContact CD1-CG2 4.16Å; I74-Y102 HydrophobicContact CB-CD2 4.04Å; I74-Y102 HydrophobicContact CB-CE2 4.16Å; I74-Y102 HydrophobicContact CD1-CD2 4.12Å; I74-Y102 HydrophobicContact CD1-CG 4.31Å; I74-Y102 HydrophobicContact CG2-CD2 3.66Å; I74-Y102 HydrophobicContact CG2-CE2 3.46Å; I74-Y102 VanDerWaalsContact CG2-CE2 3.46Å; I74-Y102 HydrophobicContact CG2-CG 4.36Å
75E98.3Very high97.6Very high12 Ų1238 Ų386%0.05623%0.231CC..Hα-helixtrans-64.5-33.7-179.9-80.2-70.4106.700113.2F71 V72 A77 V78 K79 Y102 K106F71-E75 HydrophobicContact CD1-CG 4.1Å; F71-E75 HydrophobicContact CD2-CG 4.49Å; F71-E75 HydrophobicContact CE1-CG 3.65Å; F71-E75 HydrophobicContact CE2-CG 4.08Å; F71-E75 HydrophobicContact CZ-CG 3.63Å; F71-E75 WeakPolarHBondContact O-CB 3.48Å; F71-E75 WeakPolarHBondContact O-CG 3.34Å; F71-E75 PolarHBondContact O-N 2.98Å; V72-E75 PolarHBondContact O-N 2.89Å; E75-A77 VanDerWaalsContact C-N 3.29Å; E75-A77 PolarHBondContact O-N 2.78Å; E75-V78 PolarHBondContact O-N 2.66Å; E75-K79 VanDerWaalsContact O-CB 3.27Å; E75-K79 WeakPolarHBondContact O-CB 3.31Å; E75-K79 VanDerWaalsContact O-CG 3.23Å; E75-K79 WeakPolarHBondContact O-CG 3.48Å; E75-K79 PolarHBondContact O-N 3.35Å; E75-K79 WeakPolarHBondContact OE2-CE 3.33Å; E75-K79 IonicContact OE2-NZ 3.84Å; E75-Y102 HydrophobicContact CG-CE2 4.2Å; E75-Y102 WeakPolarHBondContact OE1-CE2 3.46Å; E75-Y102 PolarHBondContact OE1-OH 2.9Å; E75-Y102 VanDerWaalsContact OE1-OH 3.11Å; E75-K106 IonicContact OE1-NZ 2.79Å; E75-K106 PolarHBondContact OE1-NZ 3.29Å; E75-K106 IonicContact OE2-NZ 3.68Å; E75-K106 PolarHBondContact OE2-NZ 3.43Å
76E98.1Very high97.8Very high103 Ų10336.2 Ų36.248%0.48122%0.219SC..Hα-helixtrans-57.3-44.1173.5-78.1170.7174.900111.3V72 I74 A80V72-E76 HydrophobicContact CG1-CG 4.44Å; V72-E76 VanDerWaalsContact O-CG 3.31Å; V72-E76 WeakPolarHBondContact O-CG 3.43Å; V72-E76 PolarHBondContact O-N 3.18Å; I74-E76 VanDerWaalsContact C-N 3.32Å; I74-E76 PolarHBondContact O-N 3.17Å; E76-A80 VanDerWaalsContact O-CB 3.28Å; E76-A80 WeakPolarHBondContact O-CB 3.06Å; E76-A80 PolarHBondContact O-N 2.84Å; E76-A80 VanDerWaalsContact O-N 3.07Å
77A97.4Very high97.8Very high0 Ų033.2 Ų33.20%021%0.205CC..Hα-helixtrans-62.8-49.2177.700000112H29 I74 E75 A80 G82 A84H29-A77 HydrophobicContact CB-CB 3.62Å; H29-A77 VanDerWaalsContact CG-CB 3.43Å; H29-A77 VanDerWaalsContact ND1-CB 3.31Å; H29-A77 WeakPolarHBondContact ND1-CB 3.34Å; I74-A77 WeakPolarHBondContact O-CB 3.36Å; I74-A77 PolarHBondContact O-N 2.85Å; E75-A77 VanDerWaalsContact C-N 3.29Å; E75-A77 PolarHBondContact O-N 2.78Å; A77-A80 PolarHBondContact O-N 3.32Å; A77-G82 CarbonylContact O-C 3.59Å; A77-G82 PolarHBondContact O-N 3.31Å; A77-A84 HydrophobicContact CB-CB 3.8Å
78V97.5Very high97.7Very high35 Ų3533.1 Ų33.121%0.21221%0.205CC..Hα-helixtrans-65.2-44-177.2177.20000110.7V8 I74 E75 A80 G81V8-V78 HydrophobicContact CG2-CG2 3.77Å; I74-V78 PolarHBondContact O-N 3.02Å; E75-V78 PolarHBondContact O-N 2.66Å; V78-A80 VanDerWaalsContact C-N 3.31Å; V78-A80 PolarHBondContact O-N 3.35Å; V78-G81 PolarHBondContact O-N 2.86Å
79K97.2Very high97.5Very high162 Ų16236.4 Ų36.470%0.70422%0.219SC*.Hα-helixtrans-67.6-30.3178.8-72.4172.6-175.6171.60113E75 G81E75-K79 VanDerWaalsContact O-CB 3.27Å; E75-K79 WeakPolarHBondContact O-CB 3.31Å; E75-K79 VanDerWaalsContact O-CG 3.23Å; E75-K79 WeakPolarHBondContact O-CG 3.48Å; E75-K79 PolarHBondContact O-N 3.35Å; E75-K79 WeakPolarHBondContact OE2-CE 3.33Å; E75-K79 IonicContact OE2-NZ 3.84Å; K79-G81 PolarHBondContact O-N 2.84Å
80A96.2Very high97.3Very high80 Ų8036.6 Ų36.666%0.66122%0.221SC*.THydrogen-bonded Turntrans-74.10.2173.100000113.3E76 A77 V78 G82E76-A80 VanDerWaalsContact O-CB 3.28Å; E76-A80 WeakPolarHBondContact O-CB 3.06Å; E76-A80 PolarHBondContact O-N 2.84Å; E76-A80 VanDerWaalsContact O-N 3.07Å; A77-A80 PolarHBondContact O-N 3.32Å; V78-A80 VanDerWaalsContact C-N 3.31Å; V78-A80 PolarHBondContact O-N 3.35Å; A80-G82 VanDerWaalsContact C-N 3.25Å; A80-G82 PolarHBondContact O-N 3.14Å
81G95.3Very high97.2Very high71 Ų7136.5 Ų36.573%0.73222%0.22SC*.THydrogen-bonded Turntrans76.510.4-177.700000113.9V78 K79V78-G81 PolarHBondContact O-N 2.86Å; K79-G81 PolarHBondContact O-N 2.84Å
82G96.4Very high97.1Very high13 Ų1339.5 Ų39.513%0.13423%0.231CC..SBendtrans-100-164.6171.800000111.7A77 A80A77-G82 CarbonylContact O-C 3.59Å; A77-G82 PolarHBondContact O-N 3.31Å; A80-G82 VanDerWaalsContact C-N 3.25Å; A80-G82 PolarHBondContact O-N 3.14Å
83A97.8Very high97Very high3 Ų336 Ų363%0.02521%0.209CC..EExtended strand (participates in β ladder)trans-125.8152.8175.400000113.6G7 Y9 A25 S26 V27 T28 H29G7-A83 CarbonylContact O-C 3.44Å; G7-A83 WeakPolarHBondContact O-CA 3.4Å; G7-A83 WeakPolarHBondContact O-CB 3.38Å; Y9-A83 HydrophobicContact CD2-CB 3.93Å; Y9-A83 HydrophobicContact CE2-CB 3.64Å; A25-A83 VanDerWaalsContact O-CB 3.31Å; A25-A83 WeakPolarHBondContact O-CB 3.5Å; S26-A83 PolarHBondContact O-N 2.91Å; V27-A83 WeakPolarHBondContact CA-O 3.43Å; V27-A83 HydrophobicContact CG2-CB 4.3Å; T28-A83 PolarHBondContact N-O 3.36Å; T28-A83 PolarHBondContact OG1-O 3.27Å; H29-A83 PolarHBondContact N-O 3.04Å
84A98.3Very high97Very high0 Ų035.9 Ų35.90%021%0.208CC..EExtended strand (participates in β ladder)trans-105.1132.6170.500000110.8G7 Y9 H29 I74 A77G7-A84 PolarHBondContact O-N 3.23Å; Y9-A84 PolarHBondContact N-O 3.17Å; H29-A84 HydrophobicContact CB-CB 4.27Å; H29-A84 WeakPolarHBondContact O-CA 3.47Å; I74-A84 HydrophobicContact CB-CB 4.37Å; I74-A84 HydrophobicContact CG1-CB 4.36Å; I74-A84 HydrophobicContact CG2-CB 4.02Å; A77-A84 HydrophobicContact CB-CB 3.8Å
85L97.9Very high97Very high0 Ų035.9 Ų35.90%021%0.208CC..EExtended strand (participates in β ladder)trans-101.8118.916617562.4000109.5M1 L16 L22 V27 H29 L31M1-L85 HydrophobicContact CB-CD1 3.9Å; M1-L85 HydrophobicContact SD-CD1 4.33Å; L16-L85 HydrophobicContact CD2-CD2 3.97Å; L22-L85 HydrophobicContact CD2-CD2 3.68Å; V27-L85 HydrophobicContact CG1-CB 4Å; V27-L85 HydrophobicContact CG2-CB 4.5Å; H29-L85 PolarHBondContact O-N 2.85Å; L31-L85 PolarHBondContact N-O 2.81Å
86V98.4Very high97Very high0 Ų035.3 Ų35.30%021%0.206CC..EExtended strand (participates in β ladder)trans-102.2118.1171.8-170.90000108.7Y9 I10 G11 L31 V33 I74 I98 V99Y9-V86 PolarHBondContact O-N 3.34Å; I10-V86 CarbonylContact C-O 3.49Å; I10-V86 WeakPolarHBondContact CA-O 3.48Å; G11-V86 PolarHBondContact N-O 2.87Å; L31-V86 HydrophobicContact CB-CG1 4.42Å; L31-V86 HydrophobicContact CB-CG2 4.28Å; L31-V86 HydrophobicContact CD2-CG1 4.05Å; L31-V86 HydrophobicContact CD2-CG2 4.18Å; L31-V86 HydrophobicContact CG-CG1 4.27Å; L31-V86 WeakPolarHBondContact O-CA 3.39Å; V33-V86 HydrophobicContact CG2-CG1 4.35Å; I74-V86 HydrophobicContact CD1-CG2 3.68Å; I74-V86 HydrophobicContact CG1-CG2 3.97Å; V86-I98 HydrophobicContact CG1-CB 4.2Å; V86-I98 HydrophobicContact CG1-CG2 4Å; V86-V99 HydrophobicContact CB-CG2 3.87Å; V86-V99 HydrophobicContact CG1-CG2 4.09Å; V86-V99 HydrophobicContact CG2-CG2 4.18Å
87H97.2Very high97Very high3 Ų330.4 Ų30.41%0.01418%0.183CC..EExtended strand (participates in β ladder)trans-135.6159.8-177.284.692.4000113G11 L31 S32 V33G11-H87 WeakPolarHBondContact O-CA 3.5Å; G11-H87 WeakPolarHBondContact O-CB 3.5Å; L31-H87 PolarHBondContact O-N 2.92Å; S32-H87 WeakPolarHBondContact CA-NE2 3.16Å; S32-H87 VanDerWaalsContact CB-NE2 3.3Å; S32-H87 WeakPolarHBondContact CB-NE2 3.24Å; S32-H87 PolarHBondContact OG-NE2 3.36Å; V33-H87 PolarHBondContact N-O 3.33Å
88C96.3Very high97.1Very high2 Ų230.5 Ų30.51%0.01418%0.184CC..  trans-139.4-166.516468.40000107.5T12 A13 V33 D34 A90 G91 R94 S95T12-C88 CarbonylContact C-O 3.6Å; T12-C88 VanDerWaalsContact C-O 3.23Å; T12-C88 WeakPolarHBondContact CA-O 3.28Å; A13-C88 PolarHBondContact N-O 2.74Å; V33-C88 WeakPolarHBondContact O-CB 3.49Å; D34-C88 VanDerWaalsContact OD2-C 3.24Å; C88-A90 PolarHBondContact O-N 3.36Å; C88-G91 PolarHBondContact SG-N 3.49Å; C88-R94 HydrophobicContact CB-CB 3.78Å; C88-S95 PolarHBondContact SG-OG 2.72Å
89Q94.4Very high97.2Very high105 Ų10528.9 Ų28.949%0.49117%0.173SC..SBendtrans-55.3-55.4-177.4-173.762.334.200112.3A13 D34A13-Q89 PolarHBondContact N-O 3.45Å; A13-Q89 VanDerWaalsContact N-O 3.15Å; D34-Q89 VanDerWaalsContact OD2-CA 3.27Å; D34-Q89 WeakPolarHBondContact OD2-CA 3.4Å; D34-Q89 WeakPolarHBondContact OD2-CB 3.05Å; D34-Q89 PolarHBondContact OD2-N 2.92Å
90A94.9Very high97.2Very high49 Ų4921.1 Ų21.141%0.40514%0.14SC..SBendtrans-107.6-7.9-174.100000114.2T12 C88 R92T12-A90 WeakPolarHBondContact CG2-O 3.25Å; C88-A90 PolarHBondContact O-N 3.36Å; A90-R92 VanDerWaalsContact C-N 3.31Å; A90-R92 HydrophobicContact CB-CB 4.45Å; A90-R92 HydrophobicContact CB-CG 4.15Å; A90-R92 PolarHBondContact O-N 2.9Å
91G94.9Very high97.4Very high0 Ų017.5 Ų17.50%011%0.11CC..SBendtrans68.624.2-175.800000114.9G11 C88 S95 K122G11-G91 WeakPolarHBondContact O-CA 3.4Å; C88-G91 PolarHBondContact SG-N 3.49Å; G91-S95 WeakPolarHBondContact CA-OG 3.43Å; G91-K122 WeakPolarHBondContact O-CE 3.19Å
92R96.6Very high97.5Very high96 Ų9614.2 Ų14.236%0.3628%0.075SC..SBendtrans-113.8-39.6-168.7-69.1179.167.3-152.5-5.1115.8A90 A96 D124 Q126A90-R92 VanDerWaalsContact C-N 3.31Å; A90-R92 HydrophobicContact CB-CB 4.45Å; A90-R92 HydrophobicContact CB-CG 4.15Å; A90-R92 PolarHBondContact O-N 2.9Å; R92-A96 WeakPolarHBondContact O-CB 3.03Å; R92-D124 PolarHBondContact NE-O 3.2Å; R92-Q126 CarbonylContact O-C 3.57Å; R92-Q126 PolarHBondContact O-N 3.26Å
93S97.7Very high97.6Very high4 Ų413.7 Ų13.73%0.0287%0.069CC..SBendtrans-120.1-74.1-172.7175.70000111.9D57 S95 A96 T97 Q126 N128D57-S93 WeakPolarHBondContact OD1-CB 3.4Å; D57-S93 PolarHBondContact OD1-OG 3.49Å; D57-S93 WeakPolarHBondContact OD2-CB 3.44Å; S93-S95 PolarHBondContact O-N 2.76Å; S93-A96 CarbonylContact O-C 3.43Å; S93-A96 WeakPolarHBondContact O-CB 3.06Å; S93-A96 PolarHBondContact O-N 2.92Å; S93-T97 WeakPolarHBondContact O-CB 3.28Å; S93-T97 PolarHBondContact O-N 3.39Å; S93-T97 PolarHBondContact O-OG1 2.88Å; S93-Q126 WeakPolarHBondContact CB-O 3.32Å; S93-N128 PolarHBondContact OG-N 3.49Å
94R98.3Very high97.7Very high15 Ų1513.5 Ų13.56%0.0577%0.068CC..Hα-helixtrans-53-57.1-179-73.1171.1-73.81789.1114.7V33 D34 V55 D57 L63 C88 A96 T97 I98 F131V33-R94 HydrophobicContact CB-CB 4.34Å; V33-R94 HydrophobicContact CG1-CB 3.87Å; D34-R94 IonicContact OD1-CZ 3.9Å; D34-R94 IonicContact OD1-NH1 3.2Å; D34-R94 PolarHBondContact OD1-NH1 3.39Å; D34-R94 IonicContact OD1-NH2 3.23Å; D34-R94 PolarHBondContact OD1-NH2 2.93Å; D34-R94 IonicContact OD2-NH2 3.95Å; V55-R94 HydrophobicContact CG1-CG 4.37Å; V55-R94 WeakPolarHBondContact O-CD 3.42Å; V55-R94 PolarHBondContact O-NH1 3.04Å; D57-R94 HydrophobicContact CB-CG 4.19Å; L63-R94 HydrophobicContact CD1-CB 4.48Å; L63-R94 HydrophobicContact CD1-CG 4.48Å; C88-R94 HydrophobicContact CB-CB 3.78Å; R94-A96 VanDerWaalsContact C-N 3.34Å; R94-A96 PolarHBondContact O-N 2.97Å; R94-T97 WeakPolarHBondContact O-CB 3.38Å; R94-T97 PolarHBondContact O-N 2.86Å; R94-I98 PolarHBondContact O-N 2.69Å; R94-F131 HydrophobicContact CB-CE2 4.48Å; R94-F131 HydrophobicContact CG-CE2 3.62Å; R94-F131 HydrophobicContact CG-CZ 4.07Å
95S98.1Very high97.7Very high0 Ų015.9 Ų15.90%08%0.078CC..Hα-helixtrans-66.2-36.5177.5580000112.5C88 G91 S93 T97 I98 V99C88-S95 PolarHBondContact SG-OG 2.72Å; G91-S95 WeakPolarHBondContact CA-OG 3.43Å; S93-S95 PolarHBondContact O-N 2.76Å; S95-T97 VanDerWaalsContact C-N 3.27Å; S95-T97 PolarHBondContact O-N 3.2Å; S95-I98 PolarHBondContact O-N 3.27Å; S95-V99 WeakPolarHBondContact O-CB 3.44Å; S95-V99 VanDerWaalsContact O-CG2 3.31Å; S95-V99 WeakPolarHBondContact O-CG2 3.24Å; S95-V99 PolarHBondContact O-N 3.34Å
96A98.4Very high97.7Very high0 Ų019.2 Ų19.20%09%0.093CC..Hα-helixtrans-63.3-34.9175.800000112.1I10 R92 S93 R94 V99 T100 L118 V125 V127I10-A96 HydrophobicContact CD1-CB 3.98Å; R92-A96 WeakPolarHBondContact O-CB 3.03Å; S93-A96 CarbonylContact O-C 3.43Å; S93-A96 WeakPolarHBondContact O-CB 3.06Å; S93-A96 PolarHBondContact O-N 2.92Å; R94-A96 VanDerWaalsContact C-N 3.34Å; R94-A96 PolarHBondContact O-N 2.97Å; A96-V99 PolarHBondContact O-N 2.88Å; A96-T100 VanDerWaalsContact O-CB 3.28Å; A96-T100 WeakPolarHBondContact O-CB 3.33Å; A96-T100 PolarHBondContact O-N 3.48Å; A96-T100 PolarHBondContact O-OG1 3.24Å; A96-L118 HydrophobicContact CB-CD2 3.91Å; A96-V125 HydrophobicContact CB-CG1 3.78Å; A96-V125 HydrophobicContact CB-CG2 4.1Å; A96-V127 HydrophobicContact CB-CG2 4.03Å
97T98.8Very high97.7Very high0 Ų022.6 Ų22.60%011%0.108CC..Hα-helixtrans-62-50.7174.5-55.20000110.3L63 M67 S93 R94 S95 V99 T100 A101 V127 F131 L135L63-T97 HydrophobicContact CB-CG2 4.5Å; L63-T97 HydrophobicContact CD1-CG2 3.9Å; M67-T97 HydrophobicContact CE-CG2 4.05Å; S93-T97 WeakPolarHBondContact O-CB 3.28Å; S93-T97 PolarHBondContact O-N 3.39Å; S93-T97 PolarHBondContact O-OG1 2.88Å; R94-T97 WeakPolarHBondContact O-CB 3.38Å; R94-T97 PolarHBondContact O-N 2.86Å; S95-T97 VanDerWaalsContact C-N 3.27Å; S95-T97 PolarHBondContact O-N 3.2Å; T97-V99 PolarHBondContact O-N 3.19Å; T97-T100 PolarHBondContact O-N 2.72Å; T97-A101 PolarHBondContact O-N 2.82Å; T97-V127 WeakPolarHBondContact OG1-CG1 3.29Å; T97-F131 HydrophobicContact CG2-CB 3.84Å; T97-F131 HydrophobicContact CG2-CG 4.19Å; T97-F131 WeakPolarHBondContact OG1-CD2 3.45Å; T97-L135 HydrophobicContact CG2-CD1 4.02Å; T97-L135 HydrophobicContact CG2-CD2 4.22Å; T97-L135 HydrophobicContact CG2-CG 4.04Å
98I98.8Very high97.7Very high3 Ų330.2 Ų30.22%0.01514%0.144CC..Hα-helixtrans-64.3-41.8178.4-65.5-57.4000112L31 V33 L63 M67 C70 I74 V86 R94 S95 T100 A101 Y102L31-I98 HydrophobicContact CD2-CG2 3.79Å; V33-I98 HydrophobicContact CG1-CG1 4.34Å; V33-I98 HydrophobicContact CG2-CG1 4.01Å; L63-I98 HydrophobicContact CD2-CD1 4.31Å; M67-I98 HydrophobicContact CG-CD1 4.34Å; C70-I98 HydrophobicContact CB-CD1 4.37Å; C70-I98 HydrophobicContact CB-CG2 3.84Å; I74-I98 HydrophobicContact CD1-CG2 4.16Å; V86-I98 HydrophobicContact CG1-CB 4.2Å; V86-I98 HydrophobicContact CG1-CG2 4Å; R94-I98 PolarHBondContact O-N 2.69Å; S95-I98 PolarHBondContact O-N 3.27Å; I98-T100 VanDerWaalsContact C-N 3.33Å; I98-T100 PolarHBondContact O-N 2.84Å; I98-A101 PolarHBondContact O-N 3.17Å; I98-Y102 WeakPolarHBondContact O-CB 3.41Å; I98-Y102 PolarHBondContact O-N 3.29Å
99V98.7Very high97.8Very high0 Ų032.1 Ų32.10%015%0.154CC..Hα-helixtrans-64.1-40176.31700000111.1V4 I10 V86 S95 A96 T97 Y102 L103 L118V4-V99 HydrophobicContact CB-CG1 4.2Å; V4-V99 HydrophobicContact CG1-CG1 4.33Å; V4-V99 HydrophobicContact CG2-CG1 3.78Å; I10-V99 HydrophobicContact CB-CG2 4.21Å; I10-V99 HydrophobicContact CD1-CG2 4.24Å; I10-V99 HydrophobicContact CG1-CG2 4.24Å; V86-V99 HydrophobicContact CB-CG2 3.87Å; V86-V99 HydrophobicContact CG1-CG2 4.09Å; V86-V99 HydrophobicContact CG2-CG2 4.18Å; S95-V99 WeakPolarHBondContact O-CB 3.44Å; S95-V99 VanDerWaalsContact O-CG2 3.31Å; S95-V99 WeakPolarHBondContact O-CG2 3.24Å; S95-V99 PolarHBondContact O-N 3.34Å; A96-V99 PolarHBondContact O-N 2.88Å; T97-V99 PolarHBondContact O-N 3.19Å; V99-Y102 PolarHBondContact O-N 2.85Å; V99-L103 HydrophobicContact CG1-CD1 4.28Å; V99-L103 WeakPolarHBondContact O-CG 3.41Å; V99-L103 PolarHBondContact O-N 3.2Å; V99-L118 HydrophobicContact CB-CD2 4.25Å; V99-L118 HydrophobicContact CG1-CD1 3.86Å; V99-L118 HydrophobicContact CG1-CD2 3.99Å; V99-L118 HydrophobicContact CG1-CG 4.49Å
100T98.8Very high97.9Very high0 Ų028 Ų280%014%0.139CC..Hα-helixtrans-62.5-48.5175.3-57.30000110.4A96 T97 I98 Y102 L103 M104 F111 A114 Y115 L118 L135A96-T100 VanDerWaalsContact O-CB 3.28Å; A96-T100 WeakPolarHBondContact O-CB 3.33Å; A96-T100 PolarHBondContact O-N 3.48Å; A96-T100 PolarHBondContact O-OG1 3.24Å; T97-T100 PolarHBondContact O-N 2.72Å; I98-T100 VanDerWaalsContact C-N 3.33Å; I98-T100 PolarHBondContact O-N 2.84Å; T100-Y102 VanDerWaalsContact C-N 3.3Å; T100-Y102 PolarHBondContact O-N 3.41Å; T100-L103 PolarHBondContact O-N 2.89Å; T100-L103 VanDerWaalsContact O-N 3.14Å; T100-M104 HydrophobicContact CG2-CG 4.46Å; T100-M104 HydrophobicContact CG2-SD 4.08Å; T100-M104 VanDerWaalsContact O-CG 3.24Å; T100-M104 WeakPolarHBondContact O-CG 3.3Å; T100-M104 PolarHBondContact O-N 2.76Å; T100-F111 HydrophobicContact CG2-CD2 4.13Å; T100-F111 HydrophobicContact CG2-CE2 4.35Å; T100-A114 HydrophobicContact CG2-CB 3.98Å; T100-Y115 HydrophobicContact CG2-CD2 4.33Å; T100-L118 WeakPolarHBondContact OG1-CD2 3.2Å; T100-L135 HydrophobicContact CG2-CD1 3.97Å; T100-L135 HydrophobicContact CG2-CD2 4.32Å
101A98.8Very high98.1Very high3 Ų326.4 Ų26.43%0.02512%0.123CC..Hα-helixtrans-58.7-40.1175.700000112.7M67 T97 I98 M104 K105 L135 Y138M67-A101 HydrophobicContact CB-CB 4.33Å; M67-A101 HydrophobicContact CE-CB 4.24Å; M67-A101 HydrophobicContact CG-CB 3.94Å; M67-A101 HydrophobicContact SD-CB 3.67Å; T97-A101 PolarHBondContact O-N 2.82Å; I98-A101 PolarHBondContact O-N 3.17Å; A101-M104 PolarHBondContact O-N 2.81Å; A101-K105 PolarHBondContact O-N 2.97Å; A101-L135 HydrophobicContact CB-CD2 3.74Å; A101-Y138 HydrophobicContact CB-CD1 4.19Å; A101-Y138 HydrophobicContact CB-CE1 3.97Å
102Y98.8Very high98.2Very high3 Ų329.1 Ų29.11%0.01215%0.146CC..Hα-helixtrans-61-47.8174.3167.9-90.2000111.3D5 V8 F71 I74 E75 I98 V99 T100 M104 K105 K106D5-Y102 HydrophobicContact CB-CE1 4.3Å; V8-Y102 HydrophobicContact CB-CE1 4.45Å; V8-Y102 HydrophobicContact CG1-CE1 4.43Å; V8-Y102 HydrophobicContact CG2-CE1 3.8Å; V8-Y102 HydrophobicContact CG2-CE2 4.49Å; F71-Y102 AromaticContact CD2-CD2 3.56Å; F71-Y102 HydrophobicContact CD2-CD2 3.56Å; F71-Y102 HydrophobicContact CD2-CE2 4.12Å; F71-Y102 HydrophobicContact CD2-CG 4.39Å; F71-Y102 AromaticContact CE2-CD2 3.88Å; F71-Y102 HydrophobicContact CE2-CD2 3.88Å; F71-Y102 HydrophobicContact CE2-CE2 4.02Å; I74-Y102 HydrophobicContact CB-CD2 4.04Å; I74-Y102 HydrophobicContact CB-CE2 4.16Å; I74-Y102 HydrophobicContact CD1-CD2 4.12Å; I74-Y102 HydrophobicContact CD1-CG 4.31Å; I74-Y102 HydrophobicContact CG2-CD2 3.66Å; I74-Y102 HydrophobicContact CG2-CE2 3.46Å; I74-Y102 VanDerWaalsContact CG2-CE2 3.46Å; I74-Y102 HydrophobicContact CG2-CG 4.36Å; E75-Y102 HydrophobicContact CG-CE2 4.2Å; E75-Y102 WeakPolarHBondContact OE1-CE2 3.46Å; E75-Y102 PolarHBondContact OE1-OH 2.9Å; E75-Y102 VanDerWaalsContact OE1-OH 3.11Å; I98-Y102 WeakPolarHBondContact O-CB 3.41Å; I98-Y102 PolarHBondContact O-N 3.29Å; V99-Y102 PolarHBondContact O-N 2.85Å; T100-Y102 VanDerWaalsContact C-N 3.3Å; T100-Y102 PolarHBondContact O-N 3.41Å; Y102-M104 PolarHBondContact O-N 3.22Å; Y102-K105 PolarHBondContact O-N 3.46Å; Y102-K106 HydrophobicContact CE1-CB 4.21Å; Y102-K106 HydrophobicContact CE1-CG 4.38Å; Y102-K106 HydrophobicContact CE2-CB 4.43Å; Y102-K106 WeakPolarHBondContact O-CB 3.44Å; Y102-K106 PolarHBondContact O-N 3.22Å
103L98.6Very high98.3Very high1 Ų130.1 Ų30.11%0.00516%0.155CC..Hα-helixtrans-62.8-41.7178.7-71.2173.8000111.9D5 V99 T100 H107 A114 L118D5-L103 HydrophobicContact CB-CD2 4.19Å; V99-L103 HydrophobicContact CG1-CD1 4.28Å; V99-L103 WeakPolarHBondContact O-CG 3.41Å; V99-L103 PolarHBondContact O-N 3.2Å; T100-L103 PolarHBondContact O-N 2.89Å; T100-L103 VanDerWaalsContact O-N 3.14Å; L103-H107 WeakPolarHBondContact O-CB 3.36Å; L103-H107 PolarHBondContact O-N 3.13Å; L103-A114 HydrophobicContact CB-CB 4.02Å; L103-L118 HydrophobicContact CD1-CB 4.31Å
104M98.6Very high98.3Very high0 Ų030 Ų300%015%0.153CC..Hα-helixtrans-56.2-52.7174.9-67.6166.263.400110.8T100 A101 Y102 Q108 L109 F111 A114 L135 Y138 E139T100-M104 HydrophobicContact CG2-CG 4.46Å; T100-M104 HydrophobicContact CG2-SD 4.08Å; T100-M104 VanDerWaalsContact O-CG 3.24Å; T100-M104 WeakPolarHBondContact O-CG 3.3Å; T100-M104 PolarHBondContact O-N 2.76Å; A101-M104 PolarHBondContact O-N 2.81Å; Y102-M104 PolarHBondContact O-N 3.22Å; M104-Q108 CarbonylContact O-C 3.42Å; M104-Q108 WeakPolarHBondContact O-CA 3.38Å; M104-Q108 PolarHBondContact O-N 2.91Å; M104-L109 WeakPolarHBondContact CA-O 3.46Å; M104-L109 WeakPolarHBondContact CB-O 3.42Å; M104-L109 PolarHBondContact O-N 2.87Å; M104-F111 HydrophobicContact CE-CB 4.15Å; M104-F111 HydrophobicContact SD-CB 4.29Å; M104-F111 HydrophobicContact SD-CD2 4.48Å; M104-A114 HydrophobicContact CB-CB 4.43Å; M104-A114 HydrophobicContact CG-CB 3.41Å; M104-A114 VanDerWaalsContact CG-CB 3.41Å; M104-L135 WeakPolarHBondContact CE-O 3.44Å; M104-L135 HydrophobicContact SD-CB 4.42Å; M104-L135 HydrophobicContact SD-CD2 3.88Å; M104-Y138 HydrophobicContact CE-CD1 4.15Å; M104-E139 HydrophobicContact CE-CB 3.65Å; M104-E139 HydrophobicContact CE-CG 4.45Å
105K98.4Very high98.3Very high49 Ų4930.2 Ų30.221%0.21315%0.154CC..Hα-helixtrans-68.7-47.1-178.7-172.2165.6-171.1128.50112.9D68 F71 A101 Y102 H107 Y138 C143D68-K105 IonicContact OD1-NZ 3.16Å; D68-K105 PolarHBondContact OD1-NZ 3.08Å; F71-K105 HydrophobicContact CB-CD 4.31Å; F71-K105 HydrophobicContact CD1-CD 3.84Å; F71-K105 HydrophobicContact CD2-CB 3.9Å; F71-K105 HydrophobicContact CD2-CD 3.8Å; F71-K105 HydrophobicContact CD2-CG 3.97Å; F71-K105 HydrophobicContact CE1-CD 4.06Å; F71-K105 HydrophobicContact CE1-CG 4.33Å; F71-K105 HydrophobicContact CE2-CB 3.83Å; F71-K105 HydrophobicContact CE2-CD 4.02Å; F71-K105 HydrophobicContact CE2-CG 3.75Å; F71-K105 HydrophobicContact CG-CD 3.71Å; F71-K105 HydrophobicContact CG-CG 4.36Å; F71-K105 HydrophobicContact CZ-CD 4.15Å; F71-K105 HydrophobicContact CZ-CG 3.94Å; A101-K105 PolarHBondContact O-N 2.97Å; Y102-K105 PolarHBondContact O-N 3.46Å; K105-H107 PolarHBondContact O-N 3.29Å; K105-Y138 WeakPolarHBondContact CD-OH 3.31Å; K105-C143 HydrophobicContact CB-CB 4.03Å; K105-C143 WeakPolarHBondContact CD-O 3.42Å; K105-C143 WeakPolarHBondContact CE-O 3.41Å; K105-C143 HydrophobicContact CG-CB 4.34Å; K105-C143 PolarHBondContact NZ-O 3.35Å
106K98.2Very high98.3Very high70 Ų7034.9 Ų34.930%0.30418%0.18SC..Hα-helixtrans-62-43.9-175.9-177.964.9175-153.80112.1F71 E75 Y102 Q108F71-K106 HydrophobicContact CE2-CB 4.08Å; E75-K106 IonicContact OE1-NZ 2.79Å; E75-K106 PolarHBondContact OE1-NZ 3.29Å; E75-K106 IonicContact OE2-NZ 3.68Å; E75-K106 PolarHBondContact OE2-NZ 3.43Å; Y102-K106 HydrophobicContact CE1-CB 4.21Å; Y102-K106 HydrophobicContact CE1-CG 4.38Å; Y102-K106 HydrophobicContact CE2-CB 4.43Å; Y102-K106 WeakPolarHBondContact O-CB 3.44Å; Y102-K106 PolarHBondContact O-N 3.22Å; K106-Q108 PolarHBondContact O-NE2 2.96Å; K106-Q108 VanDerWaalsContact O-NE2 3.16Å
107H97.9Very high98.3Very high71 Ų7138.6 Ų38.633%0.32920%0.196SC..Hα-helixtrans-106.86-172-61.5-75.5000113.2D5 L103 K105 L109D5-H107 IonicContact OD1-NE2 2.75Å; D5-H107 IonicContact OD2-CD2 3.57Å; D5-H107 IonicContact OD2-CE1 3.75Å; D5-H107 IonicContact OD2-NE2 2.74Å; D5-H107 PolarHBondContact OD2-NE2 3.24Å; L103-H107 WeakPolarHBondContact O-CB 3.36Å; L103-H107 PolarHBondContact O-N 3.13Å; K105-H107 PolarHBondContact O-N 3.29Å; H107-L109 HydrophobicContact CB-CD1 3.81Å; H107-L109 HydrophobicContact CB-CG 3.71Å; H107-L109 PolarHBondContact O-N 3Å
108Q97.6Very high98.2Very high164 Ų16438.6 Ų38.677%0.76620%0.196SC*.THydrogen-bonded Turntrans50.942.8-174.2-61.4102.177.300112.7M104 K106M104-Q108 CarbonylContact O-C 3.42Å; M104-Q108 WeakPolarHBondContact O-CA 3.38Å; M104-Q108 PolarHBondContact O-N 2.91Å; K106-Q108 PolarHBondContact O-NE2 2.96Å; K106-Q108 VanDerWaalsContact O-NE2 3.16Å
109L97.9Very high98.1Very high41 Ų4142.6 Ų42.622%0.21521%0.213CC..  trans-92.4146.9-179.7-64.7174.1000110.9M104 H107 E113 A114 K117M104-L109 WeakPolarHBondContact CA-O 3.46Å; M104-L109 WeakPolarHBondContact CB-O 3.42Å; M104-L109 PolarHBondContact O-N 2.87Å; H107-L109 HydrophobicContact CB-CD1 3.81Å; H107-L109 HydrophobicContact CB-CG 3.71Å; H107-L109 PolarHBondContact O-N 3Å; L109-E113 HydrophobicContact CB-CB 4.27Å; L109-E113 HydrophobicContact CD2-CB 4.3Å; L109-A114 HydrophobicContact CB-CB 4.13Å; L109-A114 HydrophobicContact CD1-CB 4.41Å; L109-K117 HydrophobicContact CD1-CD 4.41Å
110G97.9Very high98.1Very high18 Ų1846.9 Ų46.919%0.18624%0.243CC..  trans-67.9164.4166.200000112A112 E113 A114 E139G110-A112 VanDerWaalsContact C-N 3.35Å; G110-A112 PolarHBondContact O-N 3.12Å; G110-E113 PolarHBondContact N-OE2 2.72Å; G110-E113 PolarHBondContact O-N 3.3Å; G110-A114 PolarHBondContact O-N 3.29Å; G110-E139 WeakPolarHBondContact CA-OE1 3.41Å
111F98.1Very high97.9Very high16 Ų1650.9 Ų50.97%0.0726%0.264CS..Hα-helixtrans-55.9-49.3-178.7162.4-109.1000111.6T100 M104 E113 A114 Y115 E132 L135 H136 E139T100-F111 HydrophobicContact CG2-CD2 4.13Å; T100-F111 HydrophobicContact CG2-CE2 4.35Å; M104-F111 HydrophobicContact CE-CB 4.15Å; M104-F111 HydrophobicContact SD-CB 4.29Å; M104-F111 HydrophobicContact SD-CD2 4.48Å; F111-E113 VanDerWaalsContact C-N 3.31Å; F111-E113 PolarHBondContact O-N 3.28Å; F111-A114 PolarHBondContact O-N 3.41Å; F111-Y115 HydrophobicContact CE2-CD2 4.21Å; F111-Y115 HydrophobicContact CE2-CG 4.04Å; F111-Y115 HydrophobicContact CZ-CD1 4.33Å; F111-Y115 HydrophobicContact CZ-CG 4.15Å; F111-Y115 WeakPolarHBondContact O-CB 3.49Å; F111-Y115 PolarHBondContact O-N 3.48Å; F111-E132 HydrophobicContact CZ-CB 4.3Å; F111-E132 HydrophobicContact CZ-CG 4.09Å; F111-L135 HydrophobicContact CD2-CB 3.54Å; F111-L135 HydrophobicContact CD2-CD1 3.77Å; F111-L135 HydrophobicContact CD2-CG 4.24Å; F111-L135 HydrophobicContact CE2-CB 3.92Å; F111-L135 HydrophobicContact CE2-CD1 3.47Å; F111-L135 VanDerWaalsContact CE2-CD1 3.47Å; F111-L135 HydrophobicContact CE2-CG 4.33Å; F111-L135 HydrophobicContact CG-CB 4.31Å; F111-H136 AromaticContact CD1-CE1 3.25Å; F111-H136 WeakPolarHBondContact CD1-CE1 3.46Å; F111-H136 AromaticContact CD1-ND1 3.84Å; F111-H136 AromaticContact CD1-NE2 3.4Å; F111-H136 WeakPolarHBondContact CD1-NE2 3.39Å; F111-H136 AromaticContact CE1-CE1 3.92Å; F111-H136 AromaticContact CE1-NE2 3.58Å; F111-E139 PolarHBondContact N-OE1 3.01Å
112A97.8Very high97.8Very high57 Ų5752.3 Ų52.347%0.47127%0.269SS..Hα-helixtrans-60.8-39.9-176.800000112.3G110 N116G110-A112 VanDerWaalsContact C-N 3.35Å; G110-A112 PolarHBondContact O-N 3.12Å; A112-N116 WeakPolarHBondContact O-CB 3.46Å; A112-N116 PolarHBondContact O-N 3.48Å; A112-N116 PolarHBondContact O-ND2 3.3Å
113E98.2Very high97.5Very high118 Ų11860.2 Ų60.255%0.55131%0.306SS*.Hα-helixtrans-69.8-48.5179.7-64.3179.3147.600111.4L109 G110 F111 Y115 N116 K117L109-E113 HydrophobicContact CB-CB 4.27Å; L109-E113 HydrophobicContact CD2-CB 4.3Å; G110-E113 PolarHBondContact N-OE2 2.72Å; G110-E113 PolarHBondContact O-N 3.3Å; F111-E113 VanDerWaalsContact C-N 3.31Å; F111-E113 PolarHBondContact O-N 3.28Å; E113-Y115 PolarHBondContact O-N 2.89Å; E113-N116 PolarHBondContact O-N 3.19Å; E113-K117 WeakPolarHBondContact O-CB 3.48Å; E113-K117 PolarHBondContact O-N 3.37Å
114A98.4Very high97.4Very high0 Ų063.6 Ų63.60%032%0.324CS..Hα-helixtrans-62.6-43.5178.700000111.9T100 L103 M104 L109 G110 F111 K117 L118T100-A114 HydrophobicContact CG2-CB 3.98Å; L103-A114 HydrophobicContact CB-CB 4.02Å; M104-A114 HydrophobicContact CB-CB 4.43Å; M104-A114 HydrophobicContact CG-CB 3.41Å; M104-A114 VanDerWaalsContact CG-CB 3.41Å; L109-A114 HydrophobicContact CB-CB 4.13Å; L109-A114 HydrophobicContact CD1-CB 4.41Å; G110-A114 PolarHBondContact O-N 3.29Å; F111-A114 PolarHBondContact O-N 3.41Å; A114-K117 WeakPolarHBondContact O-CB 3.5Å; A114-K117 PolarHBondContact O-N 3.4Å; A114-L118 PolarHBondContact O-N 3.27Å
115Y98.1Very high97.3Very high20 Ų2063.7 Ų63.78%0.07833%0.325CS..Hα-helixtrans-66.4-44.1179.4-171.1-115.9000111.9T100 F111 E113 K117 L118 K119 V125 V127T100-Y115 HydrophobicContact CG2-CD2 4.33Å; F111-Y115 HydrophobicContact CE2-CD2 4.21Å; F111-Y115 HydrophobicContact CE2-CG 4.04Å; F111-Y115 HydrophobicContact CZ-CD1 4.33Å; F111-Y115 HydrophobicContact CZ-CG 4.15Å; F111-Y115 WeakPolarHBondContact O-CB 3.49Å; F111-Y115 PolarHBondContact O-N 3.48Å; E113-Y115 PolarHBondContact O-N 2.89Å; Y115-K117 VanDerWaalsContact C-N 3.34Å; Y115-K117 PolarHBondContact O-N 3.43Å; Y115-L118 PolarHBondContact O-N 3.15Å; Y115-K119 HydrophobicContact CE1-CD 4.39Å; Y115-K119 VanDerWaalsContact O-CB 3.32Å; Y115-K119 WeakPolarHBondContact O-CB 3.45Å; Y115-K119 PolarHBondContact O-N 3.18Å; Y115-V125 HydrophobicContact CD2-CG1 4.44Å; Y115-V125 HydrophobicContact CE2-CG1 3.58Å; Y115-V127 HydrophobicContact CD2-CG2 4.45Å; Y115-V127 HydrophobicContact CE2-CB 4.04Å; Y115-V127 HydrophobicContact CE2-CG2 3.6Å; Y115-V127 PolarHBondContact OH-N 3.29Å
116N97.8Very high97.1Very high99 Ų9967.4 Ų67.453%0.52934%0.343SS..Hα-helixtrans-65.3-37.3176.2-75-32.7000112.2A112 E113 K119 S120A112-N116 WeakPolarHBondContact O-CB 3.46Å; A112-N116 PolarHBondContact O-N 3.48Å; A112-N116 PolarHBondContact O-ND2 3.3Å; E113-N116 PolarHBondContact O-N 3.19Å; N116-K119 PolarHBondContact O-N 2.87Å; N116-S120 WeakPolarHBondContact O-CB 3.34Å; N116-S120 PolarHBondContact O-N 3.34Å
117K97.7Very high97.1Very high78 Ų7864.4 Ų64.434%0.33933%0.331SS..Hα-helixtrans-58.3-49.5172.9-173.1179.4-177.9-176.70110.6L109 E113 A114 Y115 S120L109-K117 HydrophobicContact CD1-CD 4.41Å; E113-K117 WeakPolarHBondContact O-CB 3.48Å; E113-K117 PolarHBondContact O-N 3.37Å; A114-K117 WeakPolarHBondContact O-CB 3.5Å; A114-K117 PolarHBondContact O-N 3.4Å; Y115-K117 VanDerWaalsContact C-N 3.34Å; Y115-K117 PolarHBondContact O-N 3.43Å; K117-S120 PolarHBondContact O-N 3.4Å; K117-S120 PolarHBondContact O-OG 2.99Å
118L97.8Very high97Very high0 Ų062.5 Ų62.50%032%0.323CS..Hα-helixtrans-62.2-45.1176.8179.959.4000111.9V4 I10 A96 V99 T100 L103 A114 Y115 S120 L121 K122 V125V4-L118 HydrophobicContact CB-CD1 4.31Å; V4-L118 HydrophobicContact CG1-CD1 3.55Å; I10-L118 HydrophobicContact CD1-CD1 4.42Å; I10-L118 HydrophobicContact CD1-CD2 4.45Å; A96-L118 HydrophobicContact CB-CD2 3.91Å; V99-L118 HydrophobicContact CB-CD2 4.25Å; V99-L118 HydrophobicContact CG1-CD1 3.86Å; V99-L118 HydrophobicContact CG1-CD2 3.99Å; V99-L118 HydrophobicContact CG1-CG 4.49Å; T100-L118 WeakPolarHBondContact OG1-CD2 3.2Å; L103-L118 HydrophobicContact CD1-CB 4.31Å; A114-L118 PolarHBondContact O-N 3.27Å; Y115-L118 PolarHBondContact O-N 3.15Å; L118-S120 VanDerWaalsContact C-N 3.29Å; L118-S120 PolarHBondContact O-N 3Å; L118-L121 PolarHBondContact O-N 3.28Å; L118-L121 VanDerWaalsContact O-N 3.1Å; L118-K122 PolarHBondContact O-N 3.26Å; L118-V125 HydrophobicContact CD2-CG1 4.34Å; L118-V125 HydrophobicContact CD2-CG2 4.28Å; L118-V125 HydrophobicContact CG-CG2 4.16Å
119K97.1Very high97Very high87 Ų8758.1 Ų58.138%0.37831%0.311SS..Hα-helixtrans-65.4-30.1-179.2-163.3170.2-172.2171.80113.2Y115 N116 L121 K122 Q123Y115-K119 HydrophobicContact CE1-CD 4.39Å; Y115-K119 VanDerWaalsContact O-CB 3.32Å; Y115-K119 WeakPolarHBondContact O-CB 3.45Å; Y115-K119 PolarHBondContact O-N 3.18Å; N116-K119 PolarHBondContact O-N 2.87Å; K119-L121 VanDerWaalsContact C-N 3.27Å; K119-L121 PolarHBondContact O-N 3.17Å; K119-K122 CarbonylContact O-C 3.57Å; K119-K122 VanDerWaalsContact O-C 3.25Å; K119-K122 PolarHBondContact O-N 3.3Å; K119-Q123 WeakPolarHBondContact O-CA 3.22Å; K119-Q123 PolarHBondContact O-N 2.93Å
120S97.1Very high96.9Very high89 Ų8956.3 Ų56.362%0.62230%0.302SS*.Hα-helixtrans-64.9-31.6173.778.40000112.7N116 K117 L118N116-S120 WeakPolarHBondContact O-CB 3.34Å; N116-S120 PolarHBondContact O-N 3.34Å; K117-S120 PolarHBondContact O-N 3.4Å; K117-S120 PolarHBondContact O-OG 2.99Å; L118-S120 VanDerWaalsContact C-N 3.29Å; L118-S120 PolarHBondContact O-N 3Å
121L96.4Very high96.9Very high84 Ų8455.5 Ų55.544%0.4429%0.293SS..Hα-helixtrans-86.4-35.6176.3-61.6174.3000111.4L2 V4 L118 K119L2-L121 HydrophobicContact CD2-CB 4.07Å; L2-L121 WeakPolarHBondContact CD2-O 3.33Å; V4-L121 HydrophobicContact CB-CD1 4.5Å; L118-L121 PolarHBondContact O-N 3.28Å; L118-L121 VanDerWaalsContact O-N 3.1Å; K119-L121 VanDerWaalsContact C-N 3.27Å; K119-L121 PolarHBondContact O-N 3.17Å
122K94.8Very high96.9Very high33 Ų3357.9 Ų57.914%0.14331%0.305CS..  trans-133.291.8-176.3-167.6169.2166.749.80111.4L2 I10 G91 L118 K119 D124 V125L2-K122 HydrophobicContact CD2-CB 3.64Å; L2-K122 HydrophobicContact CD2-CD 4.28Å; L2-K122 HydrophobicContact CD2-CG 4.21Å; I10-K122 HydrophobicContact CG2-CD 3.98Å; G91-K122 WeakPolarHBondContact O-CE 3.19Å; L118-K122 PolarHBondContact O-N 3.26Å; K119-K122 CarbonylContact O-C 3.57Å; K119-K122 VanDerWaalsContact O-C 3.25Å; K119-K122 PolarHBondContact O-N 3.3Å; K122-D124 VanDerWaalsContact C-N 3.27Å; K122-D124 WeakPolarHBondContact CE-OD1 2.93Å; K122-D124 WeakPolarHBondContact CG-OD1 3.38Å; K122-D124 IonicContact NZ-OD1 3.1Å; K122-D124 PolarHBondContact NZ-OD1 3.48Å; K122-D124 IonicContact NZ-OD2 3.06Å; K122-D124 PolarHBondContact NZ-OD2 2.79Å; K122-D124 PolarHBondContact O-N 2.76Å; K122-V125 HydrophobicContact CB-CG2 3.84Å; K122-V125 HydrophobicContact CD-CG2 3.96Å; K122-V125 HydrophobicContact CG-CG2 3.82Å; K122-V125 WeakPolarHBondContact O-CB 3.06Å; K122-V125 WeakPolarHBondContact O-CG2 3.44Å; K122-V125 PolarHBondContact O-N 3.27Å
123Q94.2Very high96.8Very high169 Ų16961.4 Ų61.479%0.7931%0.311SS*.THydrogen-bonded Turntrans-64.9-25.1-171.8-66.1-176.6-10.400114.8K119 V125K119-Q123 WeakPolarHBondContact O-CA 3.22Å; K119-Q123 PolarHBondContact O-N 2.93Å; Q123-V125 VanDerWaalsContact C-N 3.28Å; Q123-V125 PolarHBondContact O-N 3.44Å
124D95.1Very high96.8Very high72 Ų7255.9 Ų55.939%0.38529%0.285SS..THydrogen-bonded Turntrans-842179.965.5-45.7000113.8R92 K122 Q126R92-D124 PolarHBondContact NE-O 3.2Å; K122-D124 VanDerWaalsContact C-N 3.27Å; K122-D124 WeakPolarHBondContact CE-OD1 2.93Å; K122-D124 WeakPolarHBondContact CG-OD1 3.38Å; K122-D124 IonicContact NZ-OD1 3.1Å; K122-D124 PolarHBondContact NZ-OD1 3.48Å; K122-D124 IonicContact NZ-OD2 3.06Å; K122-D124 PolarHBondContact NZ-OD2 2.79Å; K122-D124 PolarHBondContact O-N 2.76Å; D124-Q126 PolarHBondContact O-N 3.44Å
125V96.1Very high96.8Very high3 Ų355.9 Ų55.92%0.01829%0.285CS..  trans-59.8129171.2166.40000110.1A96 Y115 L118 K122 Q123 V127A96-V125 HydrophobicContact CB-CG1 3.78Å; A96-V125 HydrophobicContact CB-CG2 4.1Å; Y115-V125 HydrophobicContact CD2-CG1 4.44Å; Y115-V125 HydrophobicContact CE2-CG1 3.58Å; L118-V125 HydrophobicContact CD2-CG1 4.34Å; L118-V125 HydrophobicContact CD2-CG2 4.28Å; L118-V125 HydrophobicContact CG-CG2 4.16Å; K122-V125 HydrophobicContact CB-CG2 3.84Å; K122-V125 HydrophobicContact CD-CG2 3.96Å; K122-V125 HydrophobicContact CG-CG2 3.82Å; K122-V125 WeakPolarHBondContact O-CB 3.06Å; K122-V125 WeakPolarHBondContact O-CG2 3.44Å; K122-V125 PolarHBondContact O-N 3.27Å; Q123-V125 VanDerWaalsContact C-N 3.28Å; Q123-V125 PolarHBondContact O-N 3.44Å; V125-V127 HydrophobicContact CG1-CG2 4.47Å
126Q96.1Very high96.8Very high126 Ų12659.3 Ų59.359%0.58930%0.302SS*.  trans-153.492.2-179.7-173175.47.200107.7R92 S93 D124R92-Q126 CarbonylContact O-C 3.57Å; R92-Q126 PolarHBondContact O-N 3.26Å; S93-Q126 WeakPolarHBondContact CB-O 3.32Å; D124-Q126 PolarHBondContact O-N 3.44Å
127V96.7Very high96.7Very high7 Ų756.1 Ų56.14%0.04229%0.285CS..  trans-72.8142.9174.6175.10000108.9A96 T97 Y115 V125 F131 E132A96-V127 HydrophobicContact CB-CG2 4.03Å; T97-V127 WeakPolarHBondContact OG1-CG1 3.29Å; Y115-V127 HydrophobicContact CD2-CG2 4.45Å; Y115-V127 HydrophobicContact CE2-CB 4.04Å; Y115-V127 HydrophobicContact CE2-CG2 3.6Å; Y115-V127 PolarHBondContact OH-N 3.29Å; V125-V127 HydrophobicContact CG1-CG2 4.47Å; V127-F131 HydrophobicContact CG1-CB 3.34Å; V127-F131 HydrophobicContact CG1-CD2 4.42Å; V127-F131 HydrophobicContact CG1-CG 4.42Å; V127-E132 HydrophobicContact CB-CG 4.15Å; V127-E132 HydrophobicContact CG1-CG 3.86Å
128N97Very high96.7Very high31 Ų3152.4 Ų52.417%0.16627%0.269CS..  trans-74.7159.5176.37752.1000111.3D57 S93 G130 F131 E132D57-N128 PolarHBondContact OD1-ND2 3.46Å; S93-N128 PolarHBondContact OG-N 3.49Å; N128-G130 VanDerWaalsContact C-N 3.32Å; N128-G130 PolarHBondContact O-N 3.19Å; N128-G130 PolarHBondContact OD1-N 3.02Å; N128-G130 VanDerWaalsContact OD1-N 3.08Å; N128-F131 WeakPolarHBondContact ND2-CD2 3.25Å; N128-F131 WeakPolarHBondContact ND2-CE2 3.42Å; N128-F131 PolarHBondContact O-N 3.38Å; N128-F131 VanDerWaalsContact O-N 3.1Å; N128-F131 PolarHBondContact OD1-N 2.85Å; N128-E132 PolarHBondContact O-N 3.28Å
129S96.5Very high96.7Very high73 Ų7355.8 Ų55.851%0.5128%0.284SS..Hα-helixtrans-58.8-38.2-173.858.20000114F131 E132 E133S129-F131 VanDerWaalsContact C-N 3.32Å; S129-F131 PolarHBondContact O-N 3.43Å; S129-E132 PolarHBondContact O-N 3.06Å; S129-E133 WeakPolarHBondContact O-CG 3.02Å; S129-E133 PolarHBondContact O-N 3.32Å
130G95.9Very high96.6Very high3 Ų355.1 Ų55.13%0.03130%0.295CS..Hα-helixtrans-69.9-29.6179.600000113N128 Q134N128-G130 VanDerWaalsContact C-N 3.32Å; N128-G130 PolarHBondContact O-N 3.19Å; N128-G130 PolarHBondContact OD1-N 3.02Å; N128-G130 VanDerWaalsContact OD1-N 3.08Å; G130-Q134 WeakPolarHBondContact O-CG 3.41Å; G130-Q134 PolarHBondContact O-N 3.38Å; G130-Q134 PolarHBondContact O-NE2 2.69Å
131F97.9Very high96.5Very high0 Ų051.8 Ų51.80%027%0.27CS..Hα-helixtrans-78-33172.3-67.9-17.7000112.5L63 R94 T97 V127 N128 S129 Q134 L135L63-F131 HydrophobicContact CB-CD1 4.35Å; L63-F131 HydrophobicContact CB-CE1 4.28Å; L63-F131 HydrophobicContact CD1-CD1 3.88Å; L63-F131 HydrophobicContact CD1-CD2 3.91Å; L63-F131 HydrophobicContact CD1-CE1 3.65Å; L63-F131 HydrophobicContact CD1-CE2 3.69Å; L63-F131 HydrophobicContact CD1-CG 4.03Å; L63-F131 HydrophobicContact CD1-CZ 3.57Å; L63-F131 HydrophobicContact CG-CD1 4.19Å; L63-F131 HydrophobicContact CG-CE1 3.74Å; L63-F131 HydrophobicContact CG-CZ 3.96Å; R94-F131 HydrophobicContact CB-CE2 4.48Å; R94-F131 HydrophobicContact CG-CE2 3.62Å; R94-F131 HydrophobicContact CG-CZ 4.07Å; T97-F131 HydrophobicContact CG2-CB 3.84Å; T97-F131 HydrophobicContact CG2-CG 4.19Å; T97-F131 WeakPolarHBondContact OG1-CD2 3.45Å; V127-F131 HydrophobicContact CG1-CB 3.34Å; V127-F131 HydrophobicContact CG1-CD2 4.42Å; V127-F131 HydrophobicContact CG1-CG 4.42Å; N128-F131 WeakPolarHBondContact ND2-CD2 3.25Å; N128-F131 WeakPolarHBondContact ND2-CE2 3.42Å; N128-F131 PolarHBondContact O-N 3.38Å; N128-F131 VanDerWaalsContact O-N 3.1Å; N128-F131 PolarHBondContact OD1-N 2.85Å; S129-F131 VanDerWaalsContact C-N 3.32Å; S129-F131 PolarHBondContact O-N 3.43Å; F131-Q134 WeakPolarHBondContact O-CB 3.21Å; F131-Q134 PolarHBondContact O-N 3.26Å; F131-L135 WeakPolarHBondContact O-CG 3.38Å; F131-L135 PolarHBondContact O-N 3.31Å
132E98Very high96.5Very high67 Ų6755.9 Ų55.931%0.31329%0.286SS..Hα-helixtrans-61.9-45.5170.2-67.3-174.1167.600111.1F111 V127 N128 S129 Q134 L135 H136F111-E132 HydrophobicContact CZ-CB 4.3Å; F111-E132 HydrophobicContact CZ-CG 4.09Å; V127-E132 HydrophobicContact CB-CG 4.15Å; V127-E132 HydrophobicContact CG1-CG 3.86Å; N128-E132 PolarHBondContact O-N 3.28Å; S129-E132 PolarHBondContact O-N 3.06Å; E132-Q134 VanDerWaalsContact C-N 3.28Å; E132-Q134 PolarHBondContact O-N 2.69Å; E132-L135 PolarHBondContact O-N 3.42Å; E132-H136 PolarHBondContact O-CD2 3.13Å; E132-H136 PolarHBondContact O-N 2.74Å
133E96.6Very high96.6Very high131 Ų13155 Ų5561%0.61229%0.285SS*.Hα-helixtrans-58.3-40173.9-73.3172.6-167.600112.2S129 H136 L137S129-E133 WeakPolarHBondContact O-CG 3.02Å; S129-E133 PolarHBondContact O-N 3.32Å; E133-H136 PolarHBondContact O-N 2.72Å; E133-L137 WeakPolarHBondContact O-CB 3.48Å; E133-L137 PolarHBondContact O-N 2.83Å
134Q98.1Very high96.7Very high1 Ų152.6 Ų52.61%0.00527%0.273CS..Hα-helixtrans-65-39.9176.1-76.917054.500112.8S61 L64 M67 G130 F131 E132 L137 Y138 Y155S61-Q134 PolarHBondContact O-NE2 2.85Å; L64-Q134 HydrophobicContact CB-CB 4.06Å; L64-Q134 HydrophobicContact CB-CG 3.97Å; M67-Q134 HydrophobicContact CE-CB 4.25Å; G130-Q134 WeakPolarHBondContact O-CG 3.41Å; G130-Q134 PolarHBondContact O-N 3.38Å; G130-Q134 PolarHBondContact O-NE2 2.69Å; F131-Q134 WeakPolarHBondContact O-CB 3.21Å; F131-Q134 PolarHBondContact O-N 3.26Å; E132-Q134 VanDerWaalsContact C-N 3.28Å; E132-Q134 PolarHBondContact O-N 2.69Å; Q134-L137 PolarHBondContact O-N 3.24Å; Q134-Y138 WeakPolarHBondContact O-CB 3.36Å; Q134-Y138 PolarHBondContact O-N 2.93Å; Q134-Y155 HydrophobicContact CG-CE2 3.64Å; Q134-Y155 WeakPolarHBondContact CG-OH 3.17Å; Q134-Y155 PolarHBondContact NE2-OH 2.87Å; Q134-Y155 PolarHBondContact OE1-OH 2.99Å
135L98.4Very high96.7Very high0 Ų050.1 Ų50.10%026%0.261CS..Hα-helixtrans-67.1-39.4176-71.2166.8000111.6M67 T97 T100 A101 M104 F111 F131 E132 Y138 E139M67-L135 HydrophobicContact CE-CD2 3.68Å; M67-L135 HydrophobicContact CE-CG 4.14Å; M67-L135 HydrophobicContact SD-CD2 4.36Å; T97-L135 HydrophobicContact CG2-CD1 4.02Å; T97-L135 HydrophobicContact CG2-CD2 4.22Å; T97-L135 HydrophobicContact CG2-CG 4.04Å; T100-L135 HydrophobicContact CG2-CD1 3.97Å; T100-L135 HydrophobicContact CG2-CD2 4.32Å; A101-L135 HydrophobicContact CB-CD2 3.74Å; M104-L135 WeakPolarHBondContact CE-O 3.44Å; M104-L135 HydrophobicContact SD-CB 4.42Å; M104-L135 HydrophobicContact SD-CD2 3.88Å; F111-L135 HydrophobicContact CD2-CB 3.54Å; F111-L135 HydrophobicContact CD2-CD1 3.77Å; F111-L135 HydrophobicContact CD2-CG 4.24Å; F111-L135 HydrophobicContact CE2-CB 3.92Å; F111-L135 HydrophobicContact CE2-CD1 3.47Å; F111-L135 VanDerWaalsContact CE2-CD1 3.47Å; F111-L135 HydrophobicContact CE2-CG 4.33Å; F111-L135 HydrophobicContact CG-CB 4.31Å; F131-L135 WeakPolarHBondContact O-CG 3.38Å; F131-L135 PolarHBondContact O-N 3.31Å; E132-L135 PolarHBondContact O-N 3.42Å; L135-Y138 WeakPolarHBondContact O-CB 3.39Å; L135-Y138 PolarHBondContact O-N 3.22Å; L135-E139 WeakPolarHBondContact O-CB 3.28Å; L135-E139 PolarHBondContact O-N 2.86Å
136H97.7Very high96.4Very high92 Ų9253.2 Ų53.243%0.42628%0.277SS..Hα-helixtrans-63.8-39.7172.3-81.8-56.3000112.8F111 E132 E133 Y138 E139 A140F111-H136 AromaticContact CD1-CE1 3.25Å; F111-H136 WeakPolarHBondContact CD1-CE1 3.46Å; F111-H136 AromaticContact CD1-ND1 3.84Å; F111-H136 AromaticContact CD1-NE2 3.4Å; F111-H136 WeakPolarHBondContact CD1-NE2 3.39Å; F111-H136 AromaticContact CE1-CE1 3.92Å; F111-H136 AromaticContact CE1-NE2 3.58Å; E132-H136 PolarHBondContact O-CD2 3.13Å; E132-H136 PolarHBondContact O-N 2.74Å; E133-H136 PolarHBondContact O-N 2.72Å; H136-Y138 VanDerWaalsContact C-N 3.33Å; H136-E139 IonicContact ND1-OE2 3.02Å; H136-E139 PolarHBondContact ND1-OE2 2.99Å; H136-E139 WeakPolarHBondContact O-CB 3.36Å; H136-E139 PolarHBondContact O-N 2.92Å; H136-A140 WeakPolarHBondContact O-CB 3.4Å; H136-A140 PolarHBondContact O-N 3.47Å
137L96.2Very high96.1Very high32 Ų3251.2 Ų51.217%0.16828%0.275CS..Hα-helixtrans-65.1-39.9174.1-18054.7000111.1L64 E133 Q134 A140 M141 Y155L64-L137 HydrophobicContact CD2-CB 4.18Å; L64-L137 HydrophobicContact CD2-CD2 3.47Å; L64-L137 VanDerWaalsContact CD2-CD2 3.47Å; L64-L137 HydrophobicContact CD2-CG 3.8Å; E133-L137 WeakPolarHBondContact O-CB 3.48Å; E133-L137 PolarHBondContact O-N 2.83Å; Q134-L137 PolarHBondContact O-N 3.24Å; L137-A140 PolarHBondContact O-N 3.17Å; L137-M141 HydrophobicContact CD1-CE 4.49Å; L137-M141 HydrophobicContact CD1-CG 4.29Å; L137-M141 HydrophobicContact CD1-SD 4.21Å; L137-M141 HydrophobicContact CG-CE 4.03Å; L137-M141 HydrophobicContact CG-SD 4.36Å; L137-M141 VanDerWaalsContact O-CG 3.31Å; L137-M141 WeakPolarHBondContact O-CG 3.47Å; L137-M141 PolarHBondContact O-N 3.17Å; L137-Y155 HydrophobicContact CD2-CD2 3.82Å; L137-Y155 HydrophobicContact CD2-CG 3.72Å
138Y98Very high95.6Very high1 Ų154.5 Ų54.50%0.00430%0.299CS..Hα-helixtrans-61.1-44.6174.2-168.7-124.4000112.2L64 M67 D68 A101 M104 K105 Q134 L135 H136 M141 H142 C143 V145L64-Y138 HydrophobicContact CD1-CD2 3.82Å; L64-Y138 HydrophobicContact CD1-CG 4.13Å; M67-Y138 HydrophobicContact CB-CD2 4.45Å; M67-Y138 HydrophobicContact CB-CE2 3.99Å; M67-Y138 HydrophobicContact SD-CD1 3.79Å; M67-Y138 HydrophobicContact SD-CD2 3.89Å; M67-Y138 HydrophobicContact SD-CE1 4.2Å; M67-Y138 HydrophobicContact SD-CE2 4.3Å; M67-Y138 HydrophobicContact SD-CG 3.58Å; M67-Y138 VanDerWaalsContact SD-CG 3.58Å; D68-Y138 PolarHBondContact OD1-OH 3.45Å; A101-Y138 HydrophobicContact CB-CD1 4.19Å; A101-Y138 HydrophobicContact CB-CE1 3.97Å; M104-Y138 HydrophobicContact CE-CD1 4.15Å; K105-Y138 WeakPolarHBondContact CD-OH 3.31Å; Q134-Y138 WeakPolarHBondContact O-CB 3.36Å; Q134-Y138 PolarHBondContact O-N 2.93Å; L135-Y138 WeakPolarHBondContact O-CB 3.39Å; L135-Y138 PolarHBondContact O-N 3.22Å; H136-Y138 VanDerWaalsContact C-N 3.33Å; Y138-M141 CarbonylContact O-C 3.54Å; Y138-M141 PolarHBondContact O-N 3.26Å; Y138-M141 VanDerWaalsContact O-N 3.17Å; Y138-H142 PolarHBondContact O-N 2.61Å; Y138-C143 HydrophobicContact CD1-CB 4.09Å; Y138-C143 HydrophobicContact CE1-CB 3.7Å; Y138-C143 VanDerWaalsContact CZ-C 3.4Å; Y138-C143 VanDerWaalsContact CZ-O 3.27Å; Y138-C143 WeakPolarHBondContact O-CA 3.49Å; Y138-C143 PolarHBondContact O-N 2.92Å; Y138-C143 PolarHBondContact OH-O 3.43Å; Y138-V145 HydrophobicContact CD2-CG2 4.05Å; Y138-V145 HydrophobicContact CE2-CG2 3.82Å
139E97.4Very high95.2Very high70 Ų7053.9 Ų53.933%0.32730%0.296SS..Hα-helixtrans-58-46.9172.7-179.7176.4-137.300111.9M104 G110 F111 L135 H136 M141 H142M104-E139 HydrophobicContact CE-CB 3.65Å; M104-E139 HydrophobicContact CE-CG 4.45Å; G110-E139 WeakPolarHBondContact CA-OE1 3.41Å; F111-E139 PolarHBondContact N-OE1 3.01Å; L135-E139 WeakPolarHBondContact O-CB 3.28Å; L135-E139 PolarHBondContact O-N 2.86Å; H136-E139 IonicContact ND1-OE2 3.02Å; H136-E139 PolarHBondContact ND1-OE2 2.99Å; H136-E139 WeakPolarHBondContact O-CB 3.36Å; H136-E139 PolarHBondContact O-N 2.92Å; E139-M141 PolarHBondContact O-N 2.75Å; E139-H142 WeakPolarHBondContact O-CA 3.28Å; E139-H142 PolarHBondContact O-N 3.16Å
140A94.9Very high94.8Very high74 Ų7453.7 Ų53.761%0.61229%0.293SS*.Hα-helixtrans-63.8-23.3178.100000113.1H136 L137 H142H136-A140 WeakPolarHBondContact O-CB 3.4Å; H136-A140 PolarHBondContact O-N 3.47Å; L137-A140 PolarHBondContact O-N 3.17Å; A140-H142 VanDerWaalsContact C-N 3.32Å
141M95.4Very high94.4Very high18 Ų1856.7 Ų56.79%0.08931%0.314CS..THydrogen-bonded Turntrans-96.122.8172.1-59.8-176.8-53.800112.4L64 L137 Y138 E139 C143 E144 Y152L64-M141 HydrophobicContact CD1-CE 4.11Å; L64-M141 HydrophobicContact CD2-CE 4.14Å; L64-M141 HydrophobicContact CG-CE 4.49Å; L137-M141 HydrophobicContact CD1-CE 4.49Å; L137-M141 HydrophobicContact CD1-CG 4.29Å; L137-M141 HydrophobicContact CD1-SD 4.21Å; L137-M141 HydrophobicContact CG-CE 4.03Å; L137-M141 HydrophobicContact CG-SD 4.36Å; L137-M141 VanDerWaalsContact O-CG 3.31Å; L137-M141 WeakPolarHBondContact O-CG 3.47Å; L137-M141 PolarHBondContact O-N 3.17Å; Y138-M141 CarbonylContact O-C 3.54Å; Y138-M141 PolarHBondContact O-N 3.26Å; Y138-M141 VanDerWaalsContact O-N 3.17Å; E139-M141 PolarHBondContact O-N 2.75Å; M141-C143 VanDerWaalsContact C-N 3.26Å; M141-C143 PolarHBondContact O-N 2.99Å; M141-E144 WeakPolarHBondContact CB-O 3.24Å; M141-E144 PolarHBondContact O-N 3.27Å; M141-Y152 HydrophobicContact CE-CD2 4.15Å; M141-Y152 HydrophobicContact SD-CD2 4.42Å; M141-Y152 HydrophobicContact SD-CG 4.39Å
142H96.1Very high94.1Very high170 Ų17057.3 Ų57.379%0.78732%0.317SS*.THydrogen-bonded Turntrans58.434.8177.6-54.3-62.7000114.1Y138 E139 A140 E144Y138-H142 PolarHBondContact O-N 2.61Å; E139-H142 WeakPolarHBondContact O-CA 3.28Å; E139-H142 PolarHBondContact O-N 3.16Å; A140-H142 VanDerWaalsContact C-N 3.32Å; H142-E144 VanDerWaalsContact C-N 3.28Å; H142-E144 PolarHBondContact O-N 3.15Å
143C97.1Very high93.8Very high16 Ų1654.8 Ų54.811%0.10831%0.305CS..THydrogen-bonded Turntrans58.338.6-177.5-56.10000113.1K105 Y138 M141K105-C143 HydrophobicContact CB-CB 4.03Å; K105-C143 WeakPolarHBondContact CD-O 3.42Å; K105-C143 WeakPolarHBondContact CE-O 3.41Å; K105-C143 HydrophobicContact CG-CB 4.34Å; K105-C143 PolarHBondContact NZ-O 3.35Å; Y138-C143 HydrophobicContact CD1-CB 4.09Å; Y138-C143 HydrophobicContact CE1-CB 3.7Å; Y138-C143 VanDerWaalsContact CZ-C 3.4Å; Y138-C143 VanDerWaalsContact CZ-O 3.27Å; Y138-C143 WeakPolarHBondContact O-CA 3.49Å; Y138-C143 PolarHBondContact O-N 2.92Å; Y138-C143 PolarHBondContact OH-O 3.43Å; M141-C143 VanDerWaalsContact C-N 3.26Å; M141-C143 PolarHBondContact O-N 2.99Å
144E96.3Very high93.4Very high118 Ų11850.8 Ų50.855%0.55129%0.286SS*.  trans-139.9134.2173.7-168169-177.600109.8M141 H142 D146M141-E144 WeakPolarHBondContact CB-O 3.24Å; M141-E144 PolarHBondContact O-N 3.27Å; H142-E144 VanDerWaalsContact C-N 3.28Å; H142-E144 PolarHBondContact O-N 3.15Å; E144-D146 PolarHBondContact O-N 2.85Å
145V94.6Very high93.1Very high20 Ų2051.8 Ų51.812%0.12129%0.29CS..  trans-85.692.5176.4-175.30000108L64 D68 Y138 P147 Y152L64-V145 HydrophobicContact CD1-CG2 4.26Å; L64-V145 WeakPolarHBondContact O-CG2 3.44Å; D68-V145 WeakPolarHBondContact OD2-CB 3.31Å; D68-V145 PolarHBondContact OD2-N 3.38Å; Y138-V145 HydrophobicContact CD2-CG2 4.05Å; Y138-V145 HydrophobicContact CE2-CG2 3.82Å; V145-P147 VanDerWaalsContact O-CD 3.29Å; V145-P147 WeakPolarHBondContact O-CD 3.4Å; V145-Y152 HydrophobicContact CG1-CD1 4.34Å; V145-Y152 HydrophobicContact CG1-CD2 3.96Å; V145-Y152 HydrophobicContact CG1-CE1 3.82Å; V145-Y152 HydrophobicContact CG1-CE2 3.44Å; V145-Y152 VanDerWaalsContact CG1-CE2 3.44Å; V145-Y152 HydrophobicContact CG1-CG 4.37Å
146D90.3Very high92.8Very high67 Ų6754 Ų5436%0.35830%0.298SS..  trans-88.7111174.7175.911.4000111.2E144 S148 S149E144-D146 PolarHBondContact O-N 2.85Å; D146-S148 PolarHBondContact O-N 3Å; D146-S148 VanDerWaalsContact O-N 3.13Å; D146-S148 WeakPolarHBondContact OD1-CA 3.33Å; D146-S148 VanDerWaalsContact OD1-CB 3.28Å; D146-S148 WeakPolarHBondContact OD1-CB 3.46Å; D146-S148 PolarHBondContact OD1-N 2.88Å; D146-S148 PolarHBondContact OD1-OG 3.24Å; D146-S148 PolarHBondContact OD2-OG 3.45Å; D146-S149 VanDerWaalsContact O-CB 3.24Å; D146-S149 WeakPolarHBondContact O-CB 3.44Å; D146-S149 PolarHBondContact O-N 2.91Å; D146-S149 VanDerWaalsContact O-N 3.08Å; D146-S149 PolarHBondContact OD2-N 2.96Å
147P88.1Confident92.4Very high85 Ų8549.8 Ų49.855%0.55228%0.279SS*.THydrogen-bonded Turntrans-62.8-19.7177.6-21.835.8000114.1V145 K153V145-P147 VanDerWaalsContact O-CD 3.29Å; V145-P147 WeakPolarHBondContact O-CD 3.4Å; P147-K153 VanDerWaalsContact O-CE 3.28Å; P147-K153 WeakPolarHBondContact O-CE 3.2Å
148S87Confident92Very high76 Ų7652 Ų5253%0.53129%0.288SS..THydrogen-bonded Turntrans-84.5-17.6178.884.40000113D146 K153D146-S148 PolarHBondContact O-N 3Å; D146-S148 VanDerWaalsContact O-N 3.13Å; D146-S148 WeakPolarHBondContact OD1-CA 3.33Å; D146-S148 VanDerWaalsContact OD1-CB 3.28Å; D146-S148 WeakPolarHBondContact OD1-CB 3.46Å; D146-S148 PolarHBondContact OD1-N 2.88Å; D146-S148 PolarHBondContact OD1-OG 3.24Å; D146-S148 PolarHBondContact OD2-OG 3.45Å; S148-K153 WeakPolarHBondContact O-CE 3Å
149S89.2Confident91.5Very high17 Ų1753 Ų5312%0.11929%0.292CS..  trans-60.3127.5179.5174.20000111.5D146 S151 Y152 K153D146-S149 VanDerWaalsContact O-CB 3.24Å; D146-S149 WeakPolarHBondContact O-CB 3.44Å; D146-S149 PolarHBondContact O-N 2.91Å; D146-S149 VanDerWaalsContact O-N 3.08Å; D146-S149 PolarHBondContact OD2-N 2.96Å; S149-S151 PolarHBondContact O-N 3.47Å; S149-S151 PolarHBondContact OG-N 2.98Å; S149-Y152 PolarHBondContact O-N 3.2Å; S149-Y152 VanDerWaalsContact O-N 3.17Å; S149-K153 WeakPolarHBondContact O-CG 3.27Å; S149-K153 PolarHBondContact O-N 2.97Å
150P86.8Confident90.9Very high69 Ų6950.5 Ų50.545%0.44828%0.282SS..Hα-helixtrans-56-38.2176.2-26.634.9000113.2K153 Q154P150-K153 PolarHBondContact O-N 3.1Å; P150-Q154 WeakPolarHBondContact O-CB 3.43Å; P150-Q154 PolarHBondContact O-N 3.38Å
151S88.4Confident90.3Very high67 Ų6747.9 Ų47.947%0.46926%0.259SS..Hα-helixtrans-66.6-39.9179.7-55.10000111.7S149 Q154 Y155S149-S151 PolarHBondContact O-N 3.47Å; S149-S151 PolarHBondContact OG-N 2.98Å; S151-Q154 PolarHBondContact O-N 3.12Å; S151-Y155 WeakPolarHBondContact O-CB 3.41Å; S151-Y155 PolarHBondContact O-N 2.66Å
152Y91.9Very high89.6Confident12 Ų1250.7 Ų50.75%0.04727%0.272CS..Hα-helixtrans-71.4-39.3177.4-173.5-111.1000112.5L64 S65 M141 V145 S149 Q154 Y155 R156L64-Y152 HydrophobicContact CD2-CD2 4.03Å; L64-Y152 HydrophobicContact CD2-CE2 4.14Å; L64-Y152 HydrophobicContact CG-CD2 4.4Å; L64-Y152 HydrophobicContact CG-CE2 4.1Å; S65-Y152 WeakPolarHBondContact CA-OH 3.42Å; S65-Y152 VanDerWaalsContact CB-OH 3.28Å; S65-Y152 WeakPolarHBondContact CB-OH 3Å; S65-Y152 PolarHBondContact OG-OH 3.36Å; M141-Y152 HydrophobicContact CE-CD2 4.15Å; M141-Y152 HydrophobicContact SD-CD2 4.42Å; M141-Y152 HydrophobicContact SD-CG 4.39Å; V145-Y152 HydrophobicContact CG1-CD1 4.34Å; V145-Y152 HydrophobicContact CG1-CD2 3.96Å; V145-Y152 HydrophobicContact CG1-CE1 3.82Å; V145-Y152 HydrophobicContact CG1-CE2 3.44Å; V145-Y152 VanDerWaalsContact CG1-CE2 3.44Å; V145-Y152 HydrophobicContact CG1-CG 4.37Å; S149-Y152 PolarHBondContact O-N 3.2Å; S149-Y152 VanDerWaalsContact O-N 3.17Å; Y152-Q154 VanDerWaalsContact C-N 3.32Å; Y152-Q154 PolarHBondContact O-N 3.42Å; Y152-Y155 HydrophobicContact CD2-CD1 4.06Å; Y152-Y155 AromaticContact CE2-CD1 3.97Å; Y152-Y155 HydrophobicContact CE2-CD1 3.97Å; Y152-Y155 HydrophobicContact CE2-CE1 4.34Å; Y152-Y155 WeakPolarHBondContact O-CB 3.49Å; Y152-Y155 PolarHBondContact O-N 3.06Å; Y152-R156 HydrophobicContact CD1-CG 4.23Å; Y152-R156 HydrophobicContact CE1-CG 3.81Å; Y152-R156 HydrophobicContact CE2-CG 4.04Å; Y152-R156 PolarHBondContact O-N 3.2Å; Y152-R156 WeakPolarHBondContact OH-CD 3.46Å
153K91.4Very high88.7Confident15 Ų1547.7 Ų47.77%0.06526%0.256CS..Hα-helixtrans-57.9-46.6172.6-69.5176.3178.3-1590111.2P147 S148 S149 P150 R156 L157 S206 L209 E240P147-K153 VanDerWaalsContact O-CE 3.28Å; P147-K153 WeakPolarHBondContact O-CE 3.2Å; S148-K153 WeakPolarHBondContact O-CE 3Å; S149-K153 WeakPolarHBondContact O-CG 3.27Å; S149-K153 PolarHBondContact O-N 2.97Å; P150-K153 PolarHBondContact O-N 3.1Å; K153-R156 PolarHBondContact O-N 3.45Å; K153-L157 VanDerWaalsContact O-CG 3.28Å; K153-L157 WeakPolarHBondContact O-CG 3.43Å; K153-L157 PolarHBondContact O-N 3.06Å; K153-S206 PolarHBondContact NZ-O 2.61Å; K153-L209 HydrophobicContact CB-CD2 3.67Å; K153-L209 HydrophobicContact CD-CD2 4.19Å; K153-E240 WeakPolarHBondContact CD-OE2 3.33Å; K153-E240 IonicContact NZ-OE1 2.66Å; K153-E240 PolarHBondContact NZ-OE1 3.33Å; K153-E240 IonicContact NZ-OE2 3.34Å
154Q89.2Confident87.4Confident47 Ų4747.1 Ų47.122%0.2225%0.252CS..Hα-helixtrans-60.1-46.8175.9-170.967.141.300111.5P150 S151 Y152 R156 L157 Q158 M283P150-Q154 WeakPolarHBondContact O-CB 3.43Å; P150-Q154 PolarHBondContact O-N 3.38Å; S151-Q154 PolarHBondContact O-N 3.12Å; Y152-Q154 VanDerWaalsContact C-N 3.32Å; Y152-Q154 PolarHBondContact O-N 3.42Å; Q154-R156 PolarHBondContact O-N 2.93Å; Q154-L157 PolarHBondContact O-N 2.88Å; Q154-Q158 PolarHBondContact O-N 2.99Å; Q154-M283 PolarHBondContact NE2-O 3.3Å
155Y91.3Very high86Confident21 Ų2144.7 Ų44.78%0.08225%0.246CC..Hα-helixtrans-55.6-51.5176.8167.3-95.5000112.2D62 L64 Q134 L137 S151 Y152 L157 Q158 K159D62-Y155 PolarHBondContact OD1-OH 3.25Å; L64-Y155 HydrophobicContact CB-CE1 3.91Å; L64-Y155 HydrophobicContact CD2-CD1 3.85Å; L64-Y155 HydrophobicContact CD2-CD2 4.29Å; L64-Y155 HydrophobicContact CD2-CE1 3.83Å; L64-Y155 HydrophobicContact CD2-CE2 4.26Å; L64-Y155 HydrophobicContact CD2-CG 4.1Å; L64-Y155 HydrophobicContact CG-CE1 4.29Å; Q134-Y155 HydrophobicContact CG-CE2 3.64Å; Q134-Y155 WeakPolarHBondContact CG-OH 3.17Å; Q134-Y155 PolarHBondContact NE2-OH 2.87Å; Q134-Y155 PolarHBondContact OE1-OH 2.99Å; L137-Y155 HydrophobicContact CD2-CD2 3.82Å; L137-Y155 HydrophobicContact CD2-CG 3.72Å; S151-Y155 WeakPolarHBondContact O-CB 3.41Å; S151-Y155 PolarHBondContact O-N 2.66Å; Y152-Y155 HydrophobicContact CD2-CD1 4.06Å; Y152-Y155 AromaticContact CE2-CD1 3.97Å; Y152-Y155 HydrophobicContact CE2-CD1 3.97Å; Y152-Y155 HydrophobicContact CE2-CE1 4.34Å; Y152-Y155 WeakPolarHBondContact O-CB 3.49Å; Y152-Y155 PolarHBondContact O-N 3.06Å; Y155-L157 VanDerWaalsContact C-N 3.33Å; Y155-L157 PolarHBondContact O-N 3.14Å; Y155-Q158 WeakPolarHBondContact O-CB 3.02Å; Y155-Q158 PolarHBondContact O-N 3Å; Y155-Q158 VanDerWaalsContact O-N 3.17Å; Y155-K159 HydrophobicContact CD1-CG 4.46Å; Y155-K159 HydrophobicContact CD2-CG 4.44Å; Y155-K159 HydrophobicContact CE1-CG 3.95Å; Y155-K159 HydrophobicContact CE2-CD 4.3Å; Y155-K159 VanDerWaalsContact CE2-CE 3.48Å; Y155-K159 HydrophobicContact CE2-CG 3.96Å; Y155-K159 WeakPolarHBondContact O-CG 3.18Å; Y155-K159 PolarHBondContact O-N 3.08Å; Y155-K159 WeakPolarHBondContact OH-CE 3.41Å
156R91.2Very high84.6Confident46 Ų4650.6 Ų50.617%0.17427%0.273CS..Hα-helixtrans-63.3-39.2-179.5-70.3-151.1-53.9161.28.3112.6Y152 K153 Q154 Q158 K159 V160 E177Y152-R156 HydrophobicContact CD1-CG 4.23Å; Y152-R156 HydrophobicContact CE1-CG 3.81Å; Y152-R156 HydrophobicContact CE2-CG 4.04Å; Y152-R156 PolarHBondContact O-N 3.2Å; Y152-R156 WeakPolarHBondContact OH-CD 3.46Å; K153-R156 PolarHBondContact O-N 3.45Å; Q154-R156 PolarHBondContact O-N 2.93Å; R156-Q158 VanDerWaalsContact C-N 3.31Å; R156-Q158 PolarHBondContact O-N 2.99Å; R156-K159 PolarHBondContact O-N 3.16Å; R156-V160 PolarHBondContact O-N 3.24Å; R156-E177 IonicContact NH1-OE2 3.97Å; R156-E177 PolarHBondContact NH2-O 3.25Å
157L89.5Confident83.2Confident5 Ų549.4 Ų49.43%0.02627%0.266CS..Hα-helixtrans-63.7-38.7176.1-72.2171.8000112.1K153 Q154 Y155 V160 T161 I178 L209 E240 P241 P284 F286K153-L157 VanDerWaalsContact O-CG 3.28Å; K153-L157 WeakPolarHBondContact O-CG 3.43Å; K153-L157 PolarHBondContact O-N 3.06Å; Q154-L157 PolarHBondContact O-N 2.88Å; Y155-L157 VanDerWaalsContact C-N 3.33Å; Y155-L157 PolarHBondContact O-N 3.14Å; L157-V160 PolarHBondContact O-N 3.47Å; L157-T161 WeakPolarHBondContact O-CB 3.33Å; L157-T161 PolarHBondContact O-N 3.17Å; L157-T161 PolarHBondContact O-OG1 2.84Å; L157-I178 HydrophobicContact CD2-CB 4.08Å; L157-L209 HydrophobicContact CD1-CD1 3.54Å; L157-E240 HydrophobicContact CD1-CB 4.06Å; L157-P241 HydrophobicContact CD2-CG 3.71Å; L157-P284 HydrophobicContact CB-CG 3.72Å; L157-F286 HydrophobicContact CD2-CE2 4.43Å
158Q88.4Confident81.9Confident78 Ų7849.7 Ų49.736%0.36426%0.26SS..Hα-helixtrans-63.9-44.6173.5-174.7-179-1800111.2Q154 Y155 R156 V160 T161 E162Q154-Q158 PolarHBondContact O-N 2.99Å; Y155-Q158 WeakPolarHBondContact O-CB 3.02Å; Y155-Q158 PolarHBondContact O-N 3Å; Y155-Q158 VanDerWaalsContact O-N 3.17Å; R156-Q158 VanDerWaalsContact C-N 3.31Å; R156-Q158 PolarHBondContact O-N 2.99Å; Q158-V160 VanDerWaalsContact C-N 3.31Å; Q158-V160 PolarHBondContact O-N 2.86Å; Q158-T161 WeakPolarHBondContact O-CA 3.37Å; Q158-T161 VanDerWaalsContact O-CB 3.29Å; Q158-T161 WeakPolarHBondContact O-CB 3.38Å; Q158-T161 PolarHBondContact O-N 2.86Å; Q158-E162 WeakPolarHBondContact CG-OE1 3.08Å; Q158-E162 PolarHBondContact NE2-OE1 3.02Å; Q158-E162 WeakPolarHBondContact O-CG 3.19Å; Q158-E162 PolarHBondContact O-N 2.94Å
159K87.5Confident80.5Confident21 Ų2154.4 Ų54.49%0.09127%0.273CS..Hα-helixtrans-60.1-38.2177.3-69.7-62.3174.6-165.30113.6A59 A60 Y155 R156 E162 K163A59-K159 PolarHBondContact O-NZ 2.66Å; A59-K159 VanDerWaalsContact O-NZ 3.07Å; A60-K159 VanDerWaalsContact C-NZ 3.27Å; A60-K159 WeakPolarHBondContact O-CD 3.24Å; A60-K159 PolarHBondContact O-NZ 2.69Å; Y155-K159 HydrophobicContact CD1-CG 4.46Å; Y155-K159 HydrophobicContact CD2-CG 4.44Å; Y155-K159 HydrophobicContact CE1-CG 3.95Å; Y155-K159 HydrophobicContact CE2-CD 4.3Å; Y155-K159 VanDerWaalsContact CE2-CE 3.48Å; Y155-K159 HydrophobicContact CE2-CG 3.96Å; Y155-K159 WeakPolarHBondContact O-CG 3.18Å; Y155-K159 PolarHBondContact O-N 3.08Å; Y155-K159 WeakPolarHBondContact OH-CE 3.41Å; R156-K159 PolarHBondContact O-N 3.16Å; K159-E162 IonicContact NZ-OE2 3.77Å; K159-E162 PolarHBondContact NZ-OE2 3.08Å; K159-E162 VanDerWaalsContact NZ-OE2 3.1Å; K159-K163 PolarHBondContact O-N 3.43Å
160V83.9Confident78.6Confident19 Ų1955.5 Ų55.512%0.11529%0.288CS..Hα-helixtrans-69.1-37.3172.9174.70000111.8R156 L157 Q158 E162 K163 Y164 L167 L174 P175 I178 W271R156-V160 PolarHBondContact O-N 3.24Å; L157-V160 PolarHBondContact O-N 3.47Å; Q158-V160 VanDerWaalsContact C-N 3.31Å; Q158-V160 PolarHBondContact O-N 2.86Å; V160-E162 PolarHBondContact O-N 3.5Å; V160-K163 CarbonylContact O-C 3.49Å; V160-K163 PolarHBondContact O-N 3.21Å; V160-Y164 WeakPolarHBondContact O-CB 3.35Å; V160-Y164 PolarHBondContact O-N 2.81Å; V160-L167 HydrophobicContact CG1-CD1 4.41Å; V160-L174 HydrophobicContact CG1-CD2 4.15Å; V160-P175 HydrophobicContact CG2-CG 4.4Å; V160-I178 HydrophobicContact CB-CG2 4.31Å; V160-I178 HydrophobicContact CG1-CD1 4.22Å; V160-I178 HydrophobicContact CG2-CG2 3.52Å; V160-W271 HydrophobicContact CG1-CH2 4.48Å; V160-W271 HydrophobicContact CG1-CZ3 4.28Å
161T83.1Confident76.8Confident19 Ų1957.6 Ų57.612%0.11731%0.311CS..Hα-helixtrans-61.6-43.2176.5-56.80000111.7L157 Q158 K163 Y164 W271 P284L157-T161 WeakPolarHBondContact O-CB 3.33Å; L157-T161 PolarHBondContact O-N 3.17Å; L157-T161 PolarHBondContact O-OG1 2.84Å; Q158-T161 WeakPolarHBondContact O-CA 3.37Å; Q158-T161 VanDerWaalsContact O-CB 3.29Å; Q158-T161 WeakPolarHBondContact O-CB 3.38Å; Q158-T161 PolarHBondContact O-N 2.86Å; T161-K163 VanDerWaalsContact C-N 3.27Å; T161-K163 PolarHBondContact O-N 2.99Å; T161-Y164 VanDerWaalsContact O-CB 3.26Å; T161-Y164 WeakPolarHBondContact O-CB 3.44Å; T161-Y164 PolarHBondContact O-N 3.33Å; T161-Y164 VanDerWaalsContact O-N 3.15Å; T161-W271 HydrophobicContact CG2-CB 4.42Å; T161-W271 WeakPolarHBondContact CG2-O 3.26Å; T161-P284 WeakPolarHBondContact OG1-CG 3.48Å
162E81.3Confident75.4Confident76 Ų7656.7 Ų56.736%0.35531%0.307SS..Hα-helixtrans-60.2-37.1177.8-72.8168.4-169.300111.8Q158 K159 V160Q158-E162 WeakPolarHBondContact CG-OE1 3.08Å; Q158-E162 PolarHBondContact NE2-OE1 3.02Å; Q158-E162 WeakPolarHBondContact O-CG 3.19Å; Q158-E162 PolarHBondContact O-N 2.94Å; K159-E162 IonicContact NZ-OE2 3.77Å; K159-E162 PolarHBondContact NZ-OE2 3.08Å; K159-E162 VanDerWaalsContact NZ-OE2 3.1Å; V160-E162 PolarHBondContact O-N 3.5Å
163K75.8Confident74.4Confident107 Ų10762.3 Ų62.347%0.46533%0.334SS..Hα-helixtrans-87.4-7.6177.6-63.3-174.6178.4-174.30114.2K159 V160 T161 P165 E166 L167K159-K163 PolarHBondContact O-N 3.43Å; V160-K163 CarbonylContact O-C 3.49Å; V160-K163 PolarHBondContact O-N 3.21Å; T161-K163 VanDerWaalsContact C-N 3.27Å; T161-K163 PolarHBondContact O-N 2.99Å; K163-P165 VanDerWaalsContact C-CD 3.42Å; K163-E166 WeakPolarHBondContact O-CB 3.41Å; K163-E166 PolarHBondContact O-N 3.07Å; K163-E166 VanDerWaalsContact O-N 3.11Å; K163-L167 PolarHBondContact O-N 3.14Å
164Y71.3Confident73.7Confident5 Ų561.7 Ų61.72%0.0233%0.331CS..Hα-helixtrans-60.3-34.9-173.6-161.9-103.9000115.1V160 T161 E166 L167 Q168 L174 L249 G251 V252 M253 W271V160-Y164 WeakPolarHBondContact O-CB 3.35Å; V160-Y164 PolarHBondContact O-N 2.81Å; T161-Y164 VanDerWaalsContact O-CB 3.26Å; T161-Y164 WeakPolarHBondContact O-CB 3.44Å; T161-Y164 PolarHBondContact O-N 3.33Å; T161-Y164 VanDerWaalsContact O-N 3.15Å; Y164-E166 PolarHBondContact O-N 2.96Å; Y164-L167 HydrophobicContact CD2-CB 4.45Å; Y164-L167 HydrophobicContact CD2-CD1 3.99Å; Y164-L167 WeakPolarHBondContact O-CB 3.49Å; Y164-L167 PolarHBondContact O-N 2.79Å; Y164-L167 VanDerWaalsContact O-N 3.08Å; Y164-Q168 HydrophobicContact CD1-CG 4.36Å; Y164-Q168 HydrophobicContact CE1-CG 4.22Å; Y164-Q168 PolarHBondContact O-N 2.88Å; Y164-L174 HydrophobicContact CD2-CD2 3.98Å; Y164-L174 HydrophobicContact CE2-CD2 3.61Å; Y164-L174 HydrophobicContact CE2-CG 4.37Å; Y164-L249 PolarHBondContact OH-O 3.09Å; Y164-G251 PolarHBondContact OH-N 3.43Å; Y164-V252 PolarHBondContact OH-O 3.39Å; Y164-M253 HydrophobicContact CD1-CE 4.4Å; Y164-M253 HydrophobicContact CD1-SD 3.45Å; Y164-M253 WeakPolarHBondContact CD1-SD 3.39Å; Y164-M253 HydrophobicContact CE1-SD 3.58Å; Y164-M253 VanDerWaalsContact CE1-SD 3.58Å; Y164-W271 HydrophobicContact CD1-CG 4.46Å; Y164-W271 HydrophobicContact CD2-CD2 4.43Å; Y164-W271 HydrophobicContact CD2-CZ2 4.42Å; Y164-W271 AromaticContact CE1-CD1 3.93Å; Y164-W271 HydrophobicContact CE1-CG 4.29Å; Y164-W271 AromaticContact CE1-NE1 3.99Å; Y164-W271 HydrophobicContact CE2-CD2 4.41Å; Y164-W271 AromaticContact CE2-CE2 3.89Å; Y164-W271 AromaticContact CE2-CZ2 3.96Å; Y164-W271 HydrophobicContact CE2-CZ2 3.96Å; Y164-W271 AromaticContact CZ-CE2 3.92Å; Y164-W271 AromaticContact CZ-NE1 3.6Å; Y164-W271 PolarHBondContact OH-NE1 2.86Å
165P66.6Low73.4Confident66 Ų6661.4 Ų61.443%0.42933%0.334SS..Hα-helixtrans-59.4-30174.6-25.836.1000114.2K163K163-P165 VanDerWaalsContact C-CD 3.42Å
166E64.4Low72.9Confident145 Ų14569.4 Ų69.468%0.67836%0.364SS*.Hα-helixtrans-75.8-35.7175.5-58.6173.6174.900110.8K163 Y164 Q168 Q169K163-E166 WeakPolarHBondContact O-CB 3.41Å; K163-E166 PolarHBondContact O-N 3.07Å; K163-E166 VanDerWaalsContact O-N 3.11Å; Y164-E166 PolarHBondContact O-N 2.96Å; E166-Q168 PolarHBondContact O-N 3.17Å; E166-Q169 PolarHBondContact O-N 3.17Å
167L60.8Low72.4Confident41 Ų4173.4 Ų73.422%0.21538%0.384CS..Hα-helixtrans-66.7-16.1175.4-63.8173.5000113.7V160 K163 Y164 A172 L174V160-L167 HydrophobicContact CG1-CD1 4.41Å; K163-L167 PolarHBondContact O-N 3.14Å; Y164-L167 HydrophobicContact CD2-CB 4.45Å; Y164-L167 HydrophobicContact CD2-CD1 3.99Å; Y164-L167 WeakPolarHBondContact O-CB 3.49Å; Y164-L167 PolarHBondContact O-N 2.79Å; Y164-L167 VanDerWaalsContact O-N 3.08Å; L167-A172 HydrophobicContact CB-CB 4.36Å; L167-A172 HydrophobicContact CD2-CB 3.47Å; L167-A172 VanDerWaalsContact CD2-CB 3.47Å; L167-L174 HydrophobicContact CD1-CD2 4.45Å
168Q60.6Low72.2Confident92 Ų9273.3 Ų73.343%0.4338%0.384SS..THydrogen-bonded Turntrans-81.9-20.6175.7-71.6179.8-800113.4Y164 E166 M253Y164-Q168 HydrophobicContact CD1-CG 4.36Å; Y164-Q168 HydrophobicContact CE1-CG 4.22Å; Y164-Q168 PolarHBondContact O-N 2.88Å; E166-Q168 PolarHBondContact O-N 3.17Å; Q168-M253 PolarHBondContact NE2-SD 3.19Å
169Q57.4Low72.3Confident174 Ų17470.4 Ų70.481%0.81337%0.37SS*.THydrogen-bonded Turntrans-88.6-7.7-172.1-65.9179.33100113.8E166E166-Q169 PolarHBondContact O-N 3.17Å
170G50.2Low72.6Confident41 Ų4170.1 Ų70.142%0.42337%0.372SS..THydrogen-bonded Turntrans-140.4158.2162.600000107.5A172G170-A172 PolarHBondContact O-N 2.69Å
171A49.2Very low72.9Confident113 Ų11373.5 Ų73.593%0.93440%0.395SS*.THydrogen-bonded Turntrans-68.756.9177.600000112.2E173A171-E173 PolarHBondContact O-N 3.02Å
172A58.9Low73.4Confident47 Ų4773.3 Ų73.339%0.38839%0.393SS..  trans-77.6115.1-179.400000108L167 G170L167-A172 HydrophobicContact CB-CB 4.36Å; L167-A172 HydrophobicContact CD2-CB 3.47Å; L167-A172 VanDerWaalsContact CD2-CB 3.47Å; G170-A172 PolarHBondContact O-N 2.69Å
173E70.9Confident73.9Confident130 Ų13070 Ų7061%0.60738%0.379SS*.PPolyproline II helixtrans-52.5142.8171.4-62.6-178.3173.600109.8A171A171-E173 PolarHBondContact O-N 3.02Å
174L77.3Confident74.4Confident2 Ų267 Ų671%0.0137%0.374CS..PPolyproline II helixtrans-61.3135.8170.1-82.2168.7000109V160 Y164 L167 R176 I178 F179 L249 L250 W271V160-L174 HydrophobicContact CG1-CD2 4.15Å; Y164-L174 HydrophobicContact CD2-CD2 3.98Å; Y164-L174 HydrophobicContact CE2-CD2 3.61Å; Y164-L174 HydrophobicContact CE2-CG 4.37Å; L167-L174 HydrophobicContact CD1-CD2 4.45Å; L174-R176 PolarHBondContact O-N 3.25Å; L174-I178 HydrophobicContact CB-CD1 4.08Å; L174-I178 HydrophobicContact CD2-CD1 3.92Å; L174-I178 HydrophobicContact CG-CD1 4.41Å; L174-F179 HydrophobicContact CB-CE2 3.59Å; L174-F179 HydrophobicContact CB-CZ 3.81Å; L174-F179 HydrophobicContact CD1-CE2 4.37Å; L174-F179 HydrophobicContact CD1-CZ 3.7Å; L174-F179 HydrophobicContact CG-CZ 4.4Å; L174-L249 HydrophobicContact CD1-CB 3.81Å; L174-L249 HydrophobicContact CD1-CD1 4.3Å; L174-L250 HydrophobicContact CD1-CD2 4.32Å; L174-L250 HydrophobicContact CG-CD2 4.29Å; L174-W271 HydrophobicContact CD1-CH2 4.26Å; L174-W271 HydrophobicContact CD1-CZ2 3.8Å; L174-W271 HydrophobicContact CD2-CH2 3.78Å; L174-W271 HydrophobicContact CD2-CZ2 3.89Å
175P81.9Confident74.8Confident42 Ų4274 Ų7427%0.27341%0.406SS..PPolyproline II helixtrans-56.1119.2-179.6-24.833000110.6V160 E177 I178V160-P175 HydrophobicContact CG2-CG 4.4Å; P175-E177 HydrophobicContact CB-CG 3.95Å; P175-E177 PolarHBondContact O-N 3.27Å; P175-I178 HydrophobicContact CB-CG2 4.36Å; P175-I178 VanDerWaalsContact O-CG1 3.29Å; P175-I178 WeakPolarHBondContact O-CG1 3.26Å; P175-I178 PolarHBondContact O-N 3.05Å
176R81.9Confident75.2Confident188 Ų18872.9 Ų72.971%0.70940%0.4SS*.G310 helixtrans-53.4-30-174-69.6-174.4-178.8-174.81.6113.6L174 I178 F179L174-R176 PolarHBondContact O-N 3.25Å; R176-I178 PolarHBondContact O-N 3.49Å; R176-F179 PolarHBondContact O-N 2.9Å; R176-F179 VanDerWaalsContact O-N 3.15Å
177E79.9Confident75.6Confident130 Ų13074.1 Ų74.161%0.60741%0.412SS*.G310 helixtrans-62.8-21.6179.763-170.6170.800114.2R156 P175 F179R156-E177 IonicContact NH1-OE2 3.97Å; R156-E177 PolarHBondContact NH2-O 3.25Å; P175-E177 HydrophobicContact CB-CG 3.95Å; P175-E177 PolarHBondContact O-N 3.27Å; E177-F179 PolarHBondContact O-N 2.77Å
178I86.1Confident76.3Confident4 Ų474.6 Ų74.62%0.02142%0.418CS..G310 helixtrans-74.7-16.8176.176.4-175.4000113L157 V160 L174 P175 R176 P241 W271L157-I178 HydrophobicContact CD2-CB 4.08Å; V160-I178 HydrophobicContact CB-CG2 4.31Å; V160-I178 HydrophobicContact CG1-CD1 4.22Å; V160-I178 HydrophobicContact CG2-CG2 3.52Å; L174-I178 HydrophobicContact CB-CD1 4.08Å; L174-I178 HydrophobicContact CD2-CD1 3.92Å; L174-I178 HydrophobicContact CG-CD1 4.41Å; P175-I178 HydrophobicContact CB-CG2 4.36Å; P175-I178 VanDerWaalsContact O-CG1 3.29Å; P175-I178 WeakPolarHBondContact O-CG1 3.26Å; P175-I178 PolarHBondContact O-N 3.05Å; R176-I178 PolarHBondContact O-N 3.49Å; I178-P241 HydrophobicContact CD1-CG 4.49Å; I178-P241 HydrophobicContact CG1-CG 4.18Å; I178-P241 WeakPolarHBondContact O-CG 3.35Å; I178-W271 HydrophobicContact CD1-CH2 4.07Å
179F90.5Very high77Confident16 Ų1674.4 Ų74.47%0.0743%0.427CS..SBendtrans-93.5129.1-174-64.9-84.2000111.7L174 R176 E177 P241 Q243 E246 L249L174-F179 HydrophobicContact CB-CE2 3.59Å; L174-F179 HydrophobicContact CB-CZ 3.81Å; L174-F179 HydrophobicContact CD1-CE2 4.37Å; L174-F179 HydrophobicContact CD1-CZ 3.7Å; L174-F179 HydrophobicContact CG-CZ 4.4Å; R176-F179 PolarHBondContact O-N 2.9Å; R176-F179 VanDerWaalsContact O-N 3.15Å; E177-F179 PolarHBondContact O-N 2.77Å; F179-P241 CarbonylContact C-O 3.59Å; F179-P241 VanDerWaalsContact CA-O 3.28Å; F179-P241 WeakPolarHBondContact CA-O 3.5Å; F179-P241 HydrophobicContact CD1-CB 3.86Å; F179-P241 HydrophobicContact CD1-CG 4.24Å; F179-P241 HydrophobicContact CE1-CB 3.97Å; F179-P241 HydrophobicContact CE1-CG 4.48Å; F179-Q243 HydrophobicContact CB-CG 3.87Å; F179-E246 HydrophobicContact CE1-CB 3.8Å; F179-E246 HydrophobicContact CE1-CG 4.44Å; F179-E246 HydrophobicContact CE2-CB 4.5Å; F179-E246 HydrophobicContact CE2-CG 4.36Å; F179-E246 HydrophobicContact CZ-CB 3.76Å; F179-E246 HydrophobicContact CZ-CG 3.88Å; F179-L249 HydrophobicContact CE1-CD1 3.87Å; F179-L249 HydrophobicContact CZ-CD1 4.35Å
180A91.9Very high78.3Confident15 Ų1568.8 Ų68.812%0.12440%0.401CS..BIsolated β-bridgetrans-64.9146.2159.700000110.5E240 P241 V242 Q243A180-E240 HydrophobicContact CB-CG 3.89Å; A180-P241 PolarHBondContact N-O 2.7Å; A180-V242 HydrophobicContact CB-CG2 4.23Å; A180-V242 WeakPolarHBondContact O-CA 3.44Å; A180-Q243 WeakPolarHBondContact O-CG 3.5Å; A180-Q243 PolarHBondContact O-N 3.23Å
181C90.9Very high80.2Confident90 Ų9069.9 Ų69.961%0.60840%0.396SS*.PPolyproline II helixtrans-59.1144.1176.2-70.10000111.8P183C181-P183 WeakPolarHBondContact O-CD 3.32Å; C181-P183 VanDerWaalsContact O-N 3.15Å
182D93.3Very high82.3Confident15 Ų1565.1 Ų65.18%0.0836%0.357CS..  trans-64.5113.7173.8-174.6-5.3000110.6A184 H185 R200 Q243D182-A184 PolarHBondContact O-N 3.49Å; D182-A184 VanDerWaalsContact O-N 3.11Å; D182-A184 VanDerWaalsContact OD1-CB 3.31Å; D182-A184 WeakPolarHBondContact OD1-CB 3.31Å; D182-A184 PolarHBondContact OD1-N 2.94Å; D182-H185 PolarHBondContact O-N 3.15Å; D182-H185 IonicContact OD2-CE1 2.86Å; D182-H185 PolarHBondContact OD2-CE1 3.34Å; D182-H185 VanDerWaalsContact OD2-CE1 3.23Å; D182-H185 IonicContact OD2-ND1 2.74Å; D182-H185 PolarHBondContact OD2-ND1 3.3Å; D182-R200 VanDerWaalsContact CG-NH2 3.3Å; D182-R200 IonicContact OD1-NH2 2.64Å; D182-R200 PolarHBondContact OD1-NH2 3.07Å; D182-R200 VanDerWaalsContact OD1-NH2 3.15Å; D182-R200 IonicContact OD2-CZ 3.34Å; D182-R200 IonicContact OD2-NH2 3.82Å; D182-R200 PolarHBondContact OD2-NH2 3.1Å; D182-Q243 HydrophobicContact CB-CB 4.27Å
183P91.9Very high84Confident7 Ų763.5 Ų63.55%0.04534%0.34CS..G310 helixtrans-71.9-6.1-175.932.7-38.5000113.1C181 H185 T201 L202 R204C181-P183 WeakPolarHBondContact O-CD 3.32Å; C181-P183 VanDerWaalsContact O-N 3.15Å; P183-H185 PolarHBondContact O-N 3.1Å; P183-T201 HydrophobicContact CB-CG2 3.71Å; P183-T201 HydrophobicContact CG-CG2 3.72Å; P183-L202 WeakPolarHBondContact CG-O 3.42Å; P183-R204 HydrophobicContact CB-CG 4.03Å
184A85.9Confident85.2Confident44 Ų4461.3 Ų61.336%0.36433%0.327SS..G310 helixtrans-66.3-20171.900000113.3D182 R200D182-A184 PolarHBondContact O-N 3.49Å; D182-A184 VanDerWaalsContact O-N 3.11Å; D182-A184 VanDerWaalsContact OD1-CB 3.31Å; D182-A184 WeakPolarHBondContact OD1-CB 3.31Å; D182-A184 PolarHBondContact OD1-N 2.94Å; A184-R200 VanDerWaalsContact CB-CZ 3.42Å
185H79.5Confident86.2Confident151 Ų15161.3 Ų61.370%0.69933%0.326SS*.G310 helixtrans-110.55.9-176.7-50.2106000113.3D182 P183D182-H185 PolarHBondContact O-N 3.15Å; D182-H185 IonicContact OD2-CE1 2.86Å; D182-H185 PolarHBondContact OD2-CE1 3.34Å; D182-H185 VanDerWaalsContact OD2-CE1 3.23Å; D182-H185 IonicContact OD2-ND1 2.74Å; D182-H185 PolarHBondContact OD2-ND1 3.3Å; P183-H185 PolarHBondContact O-N 3.1Å
186S75.1Confident86.9Confident43 Ų4366 Ų6630%0.30134%0.339SS..  trans-135.2128-176.156.80000111.8R204S186-R204 VanDerWaalsContact CB-NH2 3.32Å; S186-R204 PolarHBondContact O-NH2 2.72Å; S186-R204 PolarHBondContact OG-NH2 3.49Å
187N72.8Confident87.6Confident172 Ų17264.4 Ų64.492%0.9234%0.337SS*.  trans-82.8139.7172-69.4-26.4000109.8R204N187-R204 PolarHBondContact O-NH2 3.44Å
188S75.9Confident88.4Confident51 Ų5159.3 Ų59.336%0.35732%0.315SS..  trans-156.7150.9173.3175.20000110.7E190 R204 L298S188-E190 WeakPolarHBondContact OG-CB 3.43Å; S188-E190 PolarHBondContact OG-N 3.04Å; S188-R204 PolarHBondContact OG-NH1 3.47Å; S188-L298 WeakPolarHBondContact O-CD1 3.36Å
189S76.6Confident88.8Confident87 Ų8766.1 Ų66.161%0.60834%0.341SS*.SBendtrans-76.6-8.4172.250.20000113.5L298S189-L298 VanDerWaalsContact CA-CD1 3.48Å
190E83.8Confident89Confident56 Ų5668.1 Ų68.126%0.26235%0.348SS..SBendtrans-67.4155.4-178.8-166.1-173.2169.400113S188 S192 R204 G205 S206S188-E190 WeakPolarHBondContact OG-CB 3.43Å; S188-E190 PolarHBondContact OG-N 3.04Å; E190-S192 PolarHBondContact O-N 3.15Å; E190-R204 VanDerWaalsContact OE2-CD 3.25Å; E190-R204 WeakPolarHBondContact OE2-CD 3.22Å; E190-R204 IonicContact OE2-NH1 2.6Å; E190-G205 PolarHBondContact OE1-N 2.98Å; E190-S206 WeakPolarHBondContact OE1-CA 3.47Å; E190-S206 WeakPolarHBondContact OE1-CB 3.45Å; E190-S206 PolarHBondContact OE1-N 3.27Å; E190-S206 PolarHBondContact OE1-OG 2.96Å; E190-S206 PolarHBondContact OE2-OG 3.48Å
191L89.6Confident89.2Confident64 Ų6468.6 Ų68.634%0.33535%0.349SS..  trans-50.6130.4169-8596.3000110.9Y193 R204 G205 E295 R297L191-Y193 HydrophobicContact CB-CE2 4.43Å; L191-R204 WeakPolarHBondContact O-CA 3.47Å; L191-G205 PolarHBondContact O-N 2.87Å; L191-E295 HydrophobicContact CD2-CG 3.94Å; L191-E295 WeakPolarHBondContact CD2-OE1 3.44Å; L191-R297 HydrophobicContact CD2-CG 3.87Å; L191-R297 HydrophobicContact CG-CG 4.11Å
192S92.9Very high89.5Confident14 Ų1464.3 Ų64.310%0.09832%0.32CS..EExtended strand (participates in β ladder)trans-122.8144.7-179.6710000111.2E190 I296E190-S192 PolarHBondContact O-N 3.15Å; S192-I296 PolarHBondContact N-O 3.22Å; S192-I296 VanDerWaalsContact N-O 3.14Å; S192-I296 PolarHBondContact O-N 3.37Å
193Y95.6Very high89.6Confident13 Ų1363.7 Ų63.75%0.05132%0.317CS..EExtended strand (participates in β ladder)trans-115.7119-177.2-69.4-88.6000109.2L191 L202 F203 I208 Y237 V293 D294 E295L191-Y193 HydrophobicContact CB-CE2 4.43Å; Y193-L202 PolarHBondContact O-N 2.9Å; Y193-F203 VanDerWaalsContact CB-CE1 3.45Å; Y193-F203 AromaticContact CD1-CE2 3.89Å; Y193-F203 HydrophobicContact CD1-CE2 3.89Å; Y193-F203 AromaticContact CD1-CZ 3.73Å; Y193-F203 HydrophobicContact CD1-CZ 3.73Å; Y193-F203 AromaticContact CD2-CD2 3.62Å; Y193-F203 HydrophobicContact CD2-CD2 3.62Å; Y193-F203 AromaticContact CD2-CE2 3.3Å; Y193-F203 HydrophobicContact CD2-CE2 3.3Å; Y193-F203 HydrophobicContact CD2-CG 4.48Å; Y193-F203 AromaticContact CD2-CZ 3.94Å; Y193-F203 HydrophobicContact CD2-CZ 3.94Å; Y193-F203 HydrophobicContact CE1-CE2 4.45Å; Y193-F203 HydrophobicContact CE2-CD2 4.43Å; Y193-F203 AromaticContact CE2-CE2 3.94Å; Y193-F203 HydrophobicContact CE2-CE2 3.94Å; Y193-F203 AromaticContact CG-CD2 3.87Å; Y193-F203 HydrophobicContact CG-CD2 3.87Å; Y193-F203 HydrophobicContact CG-CE1 4.05Å; Y193-F203 AromaticContact CG-CE2 3.27Å; Y193-F203 HydrophobicContact CG-CE2 3.27Å; Y193-F203 HydrophobicContact CG-CG 4.49Å; Y193-F203 AromaticContact CG-CZ 3.37Å; Y193-F203 HydrophobicContact CG-CZ 3.37Å; Y193-F203 PolarHBondContact N-O 3.26Å; Y193-F203 PolarHBondContact O-N 2.83Å; Y193-I208 HydrophobicContact CE1-CD1 4.47Å; Y193-I208 HydrophobicContact CE2-CD1 3.69Å; Y193-Y237 HydrophobicContact CD1-CE2 4.11Å; Y193-Y237 AromaticContact CE1-CE1 3.9Å; Y193-Y237 HydrophobicContact CE1-CE1 3.9Å; Y193-Y237 HydrophobicContact CE1-CE2 4.06Å; Y193-Y237 AromaticContact CE1-CZ 3.61Å; Y193-V293 HydrophobicContact CD1-CG1 4.02Å; Y193-V293 HydrophobicContact CG-CG1 4.31Å; Y193-D294 WeakPolarHBondContact CA-O 3.34Å; Y193-E295 HydrophobicContact CD1-CB 4.18Å; Y193-E295 HydrophobicContact CD1-CG 4.44Å; Y193-E295 HydrophobicContact CE1-CB 3.8Å; Y193-E295 HydrophobicContact CE1-CG 3.72Å
194R95.9Very high89.6Confident84 Ų8465.7 Ų65.732%0.31732%0.324SS..EExtended strand (participates in β ladder)trans-115.2147.5-170.4-55.1-168.8-174.3-176.9-0.9111.7R196 R199 R200 V293 D294 I296R194-R196 PolarHBondContact O-N 3.35Å; R194-R199 WeakPolarHBondContact CD-O 3.44Å; R194-R200 CarbonylContact C-O 3.23Å; R194-R200 WeakPolarHBondContact CA-O 3.32Å; R194-V293 CarbonylContact O-C 3.39Å; R194-V293 VanDerWaalsContact O-CA 3.32Å; R194-V293 WeakPolarHBondContact O-CA 3.43Å; R194-D294 PolarHBondContact N-O 3.08Å; R194-D294 PolarHBondContact O-N 3.26Å; R194-I296 HydrophobicContact CB-CG1 4.46Å; R194-I296 HydrophobicContact CG-CG1 3.86Å
195C97.7Very high89.9Confident1 Ų164.8 Ų64.81%0.00732%0.318CS..EExtended strand (participates in β ladder)trans-60.3124.4173174.70000110.4K197 C198 R199 R200 L202 L266C195-K197 PolarHBondContact O-N 3.21Å; C195-C198 PolarHBondContact O-N 3.11Å; C195-C198 VanDerWaalsContact SG-SG 3.67Å; C195-R199 WeakPolarHBondContact O-CA 3.43Å; C195-R199 PolarHBondContact O-N 3.05Å; C195-R200 PolarHBondContact N-O 3.15Å; C195-L202 HydrophobicContact CB-CD1 3.93Å; C195-L202 HydrophobicContact CB-CD2 4.29Å; C195-L202 HydrophobicContact CB-CG 4.2Å; C195-L266 HydrophobicContact CB-CD2 4.44Å
196R96.9Very high90.5Very high142 Ų14260.4 Ų60.454%0.53631%0.305SS..THydrogen-bonded Turntrans-62.1-27.3-178.6-170.4169.2-177.9178.95.8114.1R194 N291 R292 D294R194-R196 PolarHBondContact O-N 3.35Å; R196-N291 VanDerWaalsContact CD-O 3.31Å; R196-N291 WeakPolarHBondContact CD-O 3.16Å; R196-N291 PolarHBondContact NH1-O 3.5Å; R196-N291 VanDerWaalsContact NH1-O 3.09Å; R196-R292 WeakPolarHBondContact CB-O 3.34Å; R196-R292 PolarHBondContact N-O 3.25Å; R196-D294 WeakPolarHBondContact CA-OD2 3.45Å; R196-D294 WeakPolarHBondContact CG-OD1 3.22Å; R196-D294 IonicContact NE-OD1 3.36Å
197K97.3Very high91.4Very high154 Ų15458.6 Ų58.667%0.6729%0.292SS*.THydrogen-bonded Turntrans-80.5-42.9-179.3-173.5178.2-179.3-174.30113.6C195 C262C195-K197 PolarHBondContact O-N 3.21Å; K197-C262 HydrophobicContact CD-CB 4.37Å
198C96.8Very high92.3Very high22 Ų2252 Ų5215%0.14926%0.256CS..THydrogen-bonded Turntrans-126.31.1-169.472.70000115C195 R200 K261 C262C195-C198 PolarHBondContact O-N 3.11Å; C195-C198 VanDerWaalsContact SG-SG 3.67Å; C198-R200 PolarHBondContact O-N 2.8Å; C198-K261 HydrophobicContact CB-CD 4.06Å; C198-K261 HydrophobicContact CB-CG 4.35Å; C198-K261 PolarHBondContact O-NZ 3.42Å; C198-C262 HydrophobicContact CB-CB 3.7Å
199R94.8Very high93Very high148 Ų14850 Ų5056%0.55824%0.242SC*.  trans58.812.5178.8-49.1-56.8-176.7139.510.1115.7R194 C195 T201 D294R194-R199 WeakPolarHBondContact CD-O 3.44Å; C195-R199 WeakPolarHBondContact O-CA 3.43Å; C195-R199 PolarHBondContact O-N 3.05Å; R199-T201 PolarHBondContact O-N 2.62Å; R199-D294 IonicContact CZ-OD2 2.92Å; R199-D294 IonicContact NE-OD2 3.62Å; R199-D294 IonicContact NH1-OD2 3.6Å; R199-D294 PolarHBondContact NH1-OD2 3.46Å
200R94.9Very high93.5Very high57 Ų5750.7 Ų50.722%0.21525%0.247CC..  trans-62.8132.2169.1170.8169175.6124.2-4.3109.8D182 A184 R194 C195 C198 K261D182-R200 VanDerWaalsContact CG-NH2 3.3Å; D182-R200 IonicContact OD1-NH2 2.64Å; D182-R200 PolarHBondContact OD1-NH2 3.07Å; D182-R200 VanDerWaalsContact OD1-NH2 3.15Å; D182-R200 IonicContact OD2-CZ 3.34Å; D182-R200 IonicContact OD2-NH2 3.82Å; D182-R200 PolarHBondContact OD2-NH2 3.1Å; A184-R200 VanDerWaalsContact CB-CZ 3.42Å; R194-R200 CarbonylContact C-O 3.23Å; R194-R200 WeakPolarHBondContact CA-O 3.32Å; C195-R200 PolarHBondContact N-O 3.15Å; C198-R200 PolarHBondContact O-N 2.8Å; R200-K261 HydrophobicContact CB-CB 4.08Å; R200-K261 HydrophobicContact CB-CD 3.95Å; R200-K261 HydrophobicContact CG-CB 4.48Å
201T95.4Very high93.5Very high26 Ų2650.5 Ų50.516%0.1625%0.245CC..EExtended strand (participates in β ladder)trans-64.6131.3171.3-45.50000110.7P183 R199P183-T201 HydrophobicContact CB-CG2 3.71Å; P183-T201 HydrophobicContact CG-CG2 3.72Å; R199-T201 PolarHBondContact O-N 2.62Å
202L96.6Very high93.1Very high0 Ų051 Ų510%025%0.254CS..EExtended strand (participates in β ladder)trans-108.9-46.7-174.6-62.1171.3000111.5P183 Y193 C195 W244 L266 L288 V293P183-L202 WeakPolarHBondContact CG-O 3.42Å; Y193-L202 PolarHBondContact O-N 2.9Å; C195-L202 HydrophobicContact CB-CD1 3.93Å; C195-L202 HydrophobicContact CB-CD2 4.29Å; C195-L202 HydrophobicContact CB-CG 4.2Å; L202-W244 HydrophobicContact CB-CZ2 4.24Å; L202-W244 HydrophobicContact CD2-CZ2 4.15Å; L202-W244 PolarHBondContact O-NE1 2.89Å; L202-L266 HydrophobicContact CD1-CD1 3.59Å; L202-L266 HydrophobicContact CD1-CD2 3.85Å; L202-L266 HydrophobicContact CD1-CG 4.33Å; L202-L266 HydrophobicContact CD2-CD1 3.64Å; L202-L266 HydrophobicContact CG-CD1 4.24Å; L202-L288 HydrophobicContact CD1-CD2 4.04Å; L202-V293 HydrophobicContact CD1-CG2 4.07Å
203F95.5Very high92.5Very high1 Ų154 Ų540%0.00427%0.272CS..EExtended strand (participates in β ladder)trans-155.1172.5179.762.6-84.5000110.3Y193 I208 Y237 I239 V242 L288 V293Y193-F203 VanDerWaalsContact CB-CE1 3.45Å; Y193-F203 AromaticContact CD1-CE2 3.89Å; Y193-F203 HydrophobicContact CD1-CE2 3.89Å; Y193-F203 AromaticContact CD1-CZ 3.73Å; Y193-F203 HydrophobicContact CD1-CZ 3.73Å; Y193-F203 AromaticContact CD2-CD2 3.62Å; Y193-F203 HydrophobicContact CD2-CD2 3.62Å; Y193-F203 AromaticContact CD2-CE2 3.3Å; Y193-F203 HydrophobicContact CD2-CE2 3.3Å; Y193-F203 HydrophobicContact CD2-CG 4.48Å; Y193-F203 AromaticContact CD2-CZ 3.94Å; Y193-F203 HydrophobicContact CD2-CZ 3.94Å; Y193-F203 HydrophobicContact CE1-CE2 4.45Å; Y193-F203 HydrophobicContact CE2-CD2 4.43Å; Y193-F203 AromaticContact CE2-CE2 3.94Å; Y193-F203 HydrophobicContact CE2-CE2 3.94Å; Y193-F203 AromaticContact CG-CD2 3.87Å; Y193-F203 HydrophobicContact CG-CD2 3.87Å; Y193-F203 HydrophobicContact CG-CE1 4.05Å; Y193-F203 AromaticContact CG-CE2 3.27Å; Y193-F203 HydrophobicContact CG-CE2 3.27Å; Y193-F203 HydrophobicContact CG-CG 4.49Å; Y193-F203 AromaticContact CG-CZ 3.37Å; Y193-F203 HydrophobicContact CG-CZ 3.37Å; Y193-F203 PolarHBondContact N-O 3.26Å; Y193-F203 PolarHBondContact O-N 2.83Å; F203-I208 HydrophobicContact CD2-CG1 4.37Å; F203-I208 HydrophobicContact CE2-CD1 4.21Å; F203-I208 HydrophobicContact CE2-CG1 3.94Å; F203-Y237 AromaticContact CZ-CD2 3.98Å; F203-Y237 HydrophobicContact CZ-CD2 3.98Å; F203-Y237 HydrophobicContact CZ-CG 4.07Å; F203-I239 HydrophobicContact CB-CD1 3.89Å; F203-I239 HydrophobicContact CD1-CD1 4.1Å; F203-I239 HydrophobicContact CD2-CD1 4.48Å; F203-I239 HydrophobicContact CD2-CG2 3.73Å; F203-I239 HydrophobicContact CE2-CG2 3.74Å; F203-I239 HydrophobicContact CG-CD1 3.93Å; F203-I239 HydrophobicContact CG-CG2 4.21Å; F203-I239 HydrophobicContact CZ-CG2 4.24Å; F203-V242 HydrophobicContact CB-CG2 3.95Å; F203-L288 HydrophobicContact CD1-CD2 4.08Å; F203-L288 HydrophobicContact CE1-CB 4.38Å; F203-L288 HydrophobicContact CE1-CD2 3.86Å; F203-L288 HydrophobicContact CE1-CG 4.49Å; F203-V293 HydrophobicContact CE1-CG1 3.97Å; F203-V293 HydrophobicContact CE1-CG2 4.47Å; F203-V293 HydrophobicContact CZ-CG1 4.22Å
204R93.1Very high91.5Very high50 Ų5053.7 Ų53.719%0.18927%0.273CS..EExtended strand (participates in β ladder)trans-113.6166.8178.3-61.9-173.7177.2-170.4-4.3111.2P183 S186 N187 S188 E190 L191 S206 S207P183-R204 HydrophobicContact CB-CG 4.03Å; S186-R204 VanDerWaalsContact CB-NH2 3.32Å; S186-R204 PolarHBondContact O-NH2 2.72Å; S186-R204 PolarHBondContact OG-NH2 3.49Å; N187-R204 PolarHBondContact O-NH2 3.44Å; S188-R204 PolarHBondContact OG-NH1 3.47Å; E190-R204 VanDerWaalsContact OE2-CD 3.25Å; E190-R204 WeakPolarHBondContact OE2-CD 3.22Å; E190-R204 IonicContact OE2-NH1 2.6Å; L191-R204 WeakPolarHBondContact O-CA 3.47Å; R204-S206 PolarHBondContact O-N 2.97Å; R204-S207 WeakPolarHBondContact O-CB 3.28Å; R204-S207 PolarHBondContact O-N 3.06Å
205G91.5Very high90Very high24 Ų2458.7 Ų58.725%0.24730%0.3CS..G310 helixtrans-54.5-40.7177.800000113.4E190 L191 S207 I208E190-G205 PolarHBondContact OE1-N 2.98Å; L191-G205 PolarHBondContact O-N 2.87Å; G205-S207 PolarHBondContact O-N 3.29Å; G205-S207 VanDerWaalsContact O-N 3.16Å; G205-I208 WeakPolarHBondContact O-CB 3.28Å; G205-I208 WeakPolarHBondContact O-CG1 3.29Å; G205-I208 PolarHBondContact O-N 3.15Å
206S91.2Very high88Confident59 Ų5959.7 Ų59.741%0.41331%0.31SS..G310 helixtrans-59.8-22.5176.347.40000113.8K153 E190 R204 I208K153-S206 PolarHBondContact NZ-O 2.61Å; E190-S206 WeakPolarHBondContact OE1-CA 3.47Å; E190-S206 WeakPolarHBondContact OE1-CB 3.45Å; E190-S206 PolarHBondContact OE1-N 3.27Å; E190-S206 PolarHBondContact OE1-OG 2.96Å; E190-S206 PolarHBondContact OE2-OG 3.48Å; R204-S206 PolarHBondContact O-N 2.97Å; S206-I208 VanDerWaalsContact C-N 3.29Å
207S93.6Very high85.9Confident5 Ų553.9 Ų53.94%0.03529%0.293CS..G310 helixtrans-78.2-12176-53.80000113.3R204 G205 L209 I239 E240R204-S207 WeakPolarHBondContact O-CB 3.28Å; R204-S207 PolarHBondContact O-N 3.06Å; G205-S207 PolarHBondContact O-N 3.29Å; G205-S207 VanDerWaalsContact O-N 3.16Å; S207-L209 PolarHBondContact O-N 3.2Å; S207-I239 CarbonylContact O-C 3.55Å; S207-I239 WeakPolarHBondContact O-CA 2.97Å; S207-I239 VanDerWaalsContact O-CB 3.24Å; S207-I239 WeakPolarHBondContact O-CB 3.28Å; S207-E240 WeakPolarHBondContact CA-OE1 3.48Å; S207-E240 PolarHBondContact O-N 2.98Å
208I92.6Very high83.8Confident33 Ų3350.8 Ų50.817%0.16929%0.291CS..BIsolated β-bridgetrans-75.8125.3-175.4-62.6174.3000111Y193 F203 G205 S206 Y237 I239Y193-I208 HydrophobicContact CE1-CD1 4.47Å; Y193-I208 HydrophobicContact CE2-CD1 3.69Å; F203-I208 HydrophobicContact CD2-CG1 4.37Å; F203-I208 HydrophobicContact CE2-CD1 4.21Å; F203-I208 HydrophobicContact CE2-CG1 3.94Å; G205-I208 WeakPolarHBondContact O-CB 3.28Å; G205-I208 WeakPolarHBondContact O-CG1 3.29Å; G205-I208 PolarHBondContact O-N 3.15Å; S206-I208 VanDerWaalsContact C-N 3.29Å; I208-Y237 HydrophobicContact CD1-CD1 4.02Å; I208-Y237 HydrophobicContact CD1-CE1 4.36Å; I208-I239 HydrophobicContact CG1-CG2 4.19Å
209L90.9Very high81.4Confident10 Ų1053.5 Ų53.55%0.05232%0.315CS..  trans-99.499.6173.6-57177.3000108.7K153 L157 S207 F238 E240K153-L209 HydrophobicContact CB-CD2 3.67Å; K153-L209 HydrophobicContact CD-CD2 4.19Å; L157-L209 HydrophobicContact CD1-CD1 3.54Å; S207-L209 PolarHBondContact O-N 3.2Å; L209-F238 PolarHBondContact N-O 3.24Å; L209-E240 HydrophobicContact CD1-CB 4.25Å
210S86.1Confident79.2Confident102 Ų10251.6 Ų51.671%0.71331%0.311SS*.  trans-73.8147.6-179.8-62.90000111.1
211H83.8Confident77.1Confident51 Ų5152.6 Ų52.624%0.23633%0.327CS..  trans-133.7150.6174.459.2-97.2000110.6C234 F238 C276 C278 R280H211-C234 PolarHBondContact NE2-SG 3.26Å; H211-F238 AromaticContact CE1-CD2 3.54Å; H211-F238 AromaticContact CE1-CE2 3.72Å; H211-F238 AromaticContact ND1-CD2 3.9Å; H211-C276 VanDerWaalsContact CE1-SG 3.53Å; H211-C276 PolarHBondContact NE2-SG 2.84Å; H211-C278 PolarHBondContact NE2-SG 3.46Å; H211-R280 HydrophobicContact CB-CG 4.16Å
212S82.4Confident75Confident75 Ų7560.5 Ų60.552%0.52436%0.361SS..PPolyproline II helixtrans-66.6144.5170.5530000110.8G214 R280S212-G214 PolarHBondContact O-N 3.05Å; S212-R280 WeakPolarHBondContact O-CG 3.17Å
213V80.8Confident72.8Confident76 Ų7669.3 Ų69.346%0.46140%0.4SS..PPolyproline II helixtrans-57.5129.5176.2175.10000109A217 V232 C278V213-A217 HydrophobicContact CG1-CB 3.48Å; V213-A217 VanDerWaalsContact CG1-CB 3.48Å; V213-V232 HydrophobicContact CG1-CB 4.38Å; V213-V232 HydrophobicContact CG2-CB 4.28Å; V213-C278 HydrophobicContact CG1-CB 4.21Å
214G72.8Confident70.8Confident8 Ų872.1 Ų72.18%0.08241%0.412CS..PPolyproline II helixtrans-76.7160.8-179.200000112.9S212 G216 A217 C278S212-G214 PolarHBondContact O-N 3.05Å; G214-G216 PolarHBondContact O-N 3.02Å; G214-G216 VanDerWaalsContact O-N 3.15Å; G214-A217 WeakPolarHBondContact O-CB 3.34Å; G214-A217 PolarHBondContact O-N 3.01Å; G214-C278 PolarHBondContact N-O 2.9Å
215E64.9Low68.5Low188 Ų18875.2 Ų75.288%0.87944%0.438SS*.G310 helixtrans-60.2-25.6178.4-63.9-179.217500113A217 S218E215-A217 PolarHBondContact O-N 3.02Å; E215-A217 VanDerWaalsContact O-N 3.16Å; E215-S218 PolarHBondContact O-OG 3.25Å
216G55.2Low66.4Low22 Ų2278.5 Ų78.523%0.22746%0.458CS..G310 helixtrans-66.4-8.5174.800000114.8G214 S218 A219 F220G214-G216 PolarHBondContact O-N 3.02Å; G214-G216 VanDerWaalsContact O-N 3.15Å; G216-S218 PolarHBondContact O-N 3.35Å; G216-A219 PolarHBondContact O-N 3.48Å; G216-A219 VanDerWaalsContact O-N 3.11Å; G216-F220 VanDerWaalsContact O-CD2 3.27Å; G216-F220 WeakPolarHBondContact O-CD2 3.47Å
217A53.5Low64.4Low20 Ų2079.6 Ų79.617%0.16546%0.459CS..G310 helixtrans-57.5-32.1175.600000112.8V213 G214 E215 C278V213-A217 HydrophobicContact CG1-CB 3.48Å; V213-A217 VanDerWaalsContact CG1-CB 3.48Å; G214-A217 WeakPolarHBondContact O-CB 3.34Å; G214-A217 PolarHBondContact O-N 3.01Å; E215-A217 PolarHBondContact O-N 3.02Å; E215-A217 VanDerWaalsContact O-N 3.16Å; A217-C278 PolarHBondContact N-O 2.93Å; A217-C278 VanDerWaalsContact N-O 3.14Å
218S53Low62.1Low90 Ų9088.7 Ų88.763%0.62951%0.506SS*.THydrogen-bonded Turntrans-70.1-34.2176.860.30000113.2E215 G216 F220 S221E215-S218 PolarHBondContact O-OG 3.25Å; G216-S218 PolarHBondContact O-N 3.35Å; S218-F220 VanDerWaalsContact C-N 3.33Å; S218-F220 PolarHBondContact O-N 2.92Å; S218-S221 PolarHBondContact O-OG 3.47Å
219A46.7Very low60Low79 Ų7992.1 Ų92.165%0.65353%0.529SS*.THydrogen-bonded Turntrans-75.1-18.1-178.900000113.9G216G216-A219 PolarHBondContact O-N 3.48Å; G216-A219 VanDerWaalsContact O-N 3.11Å
220F48.6Very low58.1Low107 Ų10794.5 Ų94.547%0.46956%0.555SS.*THydrogen-bonded Turntrans-112.419-179.8-63-75000113.7G216 S218 H222 K223G216-F220 VanDerWaalsContact O-CD2 3.27Å; G216-F220 WeakPolarHBondContact O-CD2 3.47Å; S218-F220 VanDerWaalsContact C-N 3.33Å; S218-F220 PolarHBondContact O-N 2.92Å; F220-H222 PolarHBondContact O-N 2.75Å; F220-K223 PolarHBondContact O-N 3.38Å
221S51.2Low56.8Low79 Ų7996.3 Ų96.355%0.55255%0.553SS**G310 helixtrans-53.3-28.6-176.1-59.20000114.1S218 K223S218-S221 PolarHBondContact O-OG 3.47Å; S221-K223 VanDerWaalsContact C-N 3.29Å; S221-K223 PolarHBondContact O-N 3.06Å
222H51.9Low55.9Low191 Ų19196.5 Ų96.588%0.88456%0.557SS**G310 helixtrans-77.10.3-177.3-70.4-69000115.8F220F220-H222 PolarHBondContact O-N 2.75Å
223K49.7Very low55.6Low185 Ų18597.2 Ų97.280%0.80455%0.553SS**G310 helixtrans-126.310.9-172.7-72.2-170.8178.7179.10116.6F220 S221F220-K223 PolarHBondContact O-N 3.38Å; S221-K223 VanDerWaalsContact C-N 3.29Å; S221-K223 PolarHBondContact O-N 3.06Å
224K53.3Low56Low61 Ų6194.6 Ų94.627%0.26554%0.537SS..  trans-115.2134.3-173-66.4-173.2-177.91710114.2S226 V232 S277K224-S226 PolarHBondContact O-N 2.94Å; K224-V232 HydrophobicContact CD-CG1 3.82Å; K224-V232 VanDerWaalsContact NZ-CG1 3.3Å; K224-S277 WeakPolarHBondContact CE-O 3.44Å; K224-S277 PolarHBondContact NZ-O 3.26Å
225P45.7Very low56.9Low114 Ų11498.2 Ų98.274%0.7456%0.558SS**  trans-70.7113.9161.428.9-27.3000107.7
226S47.2Very low58.2Low94 Ų9489.7 Ų89.766%0.65752%0.519SS*.  trans-73.3136.6167.248.90000109K224K224-S226 PolarHBondContact O-N 2.94Å
227N48.3Very low60.1Low82 Ų8289.8 Ų89.844%0.43951%0.512SS..  trans-68162.9159.9-83.4-20.4000109.2T229 G230N227-T229 PolarHBondContact O-N 2.82Å; N227-G230 PolarHBondContact O-N 2.94Å
228L45.2Very low62.1Low195 Ų19589.1 Ų89.1100%1.02151%0.506SS*.THydrogen-bonded Turntrans-53.6-14.1175.6-73.2146000113.7
229T49.1Very low64.1Low105 Ų10584.9 Ų84.964%0.64448%0.476SS*.THydrogen-bonded Turntrans-98.5-5.3179.157.10000114.8N227 E231N227-T229 PolarHBondContact O-N 2.82Å; T229-E231 VanDerWaalsContact C-N 3.31Å; T229-E231 PolarHBondContact O-N 2.78Å
230G51.1Low66.4Low60 Ų6082 Ų8262%0.61945%0.449SS*.  trans78.84-179.400000115.8N227N227-G230 PolarHBondContact O-N 2.94Å
231E57.8Low68.5Low140 Ų14076.9 Ų76.965%0.65443%0.427SS*.  trans-77.4134.1179.4-70.9-176161.500112.9T229 Q233T229-E231 VanDerWaalsContact C-N 3.31Å; T229-E231 PolarHBondContact O-N 2.78Å; E231-Q233 PolarHBondContact O-N 2.83Å
232V66.1Low70.7Confident55 Ų5573.1 Ų73.133%0.33340%0.4SS..  trans-74.5108.3176.6175.70000109.9V213 K224 C278V213-V232 HydrophobicContact CG1-CB 4.38Å; V213-V232 HydrophobicContact CG2-CB 4.28Å; K224-V232 HydrophobicContact CD-CG1 3.82Å; K224-V232 VanDerWaalsContact NZ-CG1 3.3Å; V232-C278 HydrophobicContact CG1-CB 4.3Å
233Q76.6Confident72.7Confident91 Ų9168 Ų6843%0.42538%0.377SS..  trans-87.2116.3175.3-165.6175.222.400111.1E231E231-Q233 PolarHBondContact O-N 2.83Å
234C87.5Confident74.9Confident20 Ų2060.6 Ų60.614%0.13534%0.344CS..  trans-62.9147.8174.6-59.90000111.4H211 S236 R290H211-C234 PolarHBondContact NE2-SG 3.26Å; C234-S236 VanDerWaalsContact C-N 3.3Å; C234-S236 PolarHBondContact O-N 3.43Å; C234-R290 WeakPolarHBondContact O-CD 3.42Å; C234-R290 PolarHBondContact O-NH1 2.87Å
235T91.4Very high76.9Confident85 Ų8557.7 Ų57.752%0.52133%0.332SS..SBendtrans-78.3-11.4-179.657.40000114.6S277 R290T235-S277 PolarHBondContact N-OG 3.18Å; T235-S277 WeakPolarHBondContact OG1-CB 3.33Å; T235-S277 PolarHBondContact OG1-OG 3.19Å; T235-R290 WeakPolarHBondContact O-CB 3.38Å; T235-R290 VanDerWaalsContact O-CG 3.28Å; T235-R290 WeakPolarHBondContact O-CG 3.39Å; T235-R290 PolarHBondContact O-N 3.03Å
236S94.1Very high79.1Confident8 Ų855 Ų556%0.05631%0.309CS..EExtended strand (participates in β ladder)trans-131.5147.7-175.1-56.80000110.5C234 Q287 L288 H289C234-S236 VanDerWaalsContact C-N 3.3Å; C234-S236 PolarHBondContact O-N 3.43Å; S236-Q287 PolarHBondContact OG-OE1 3.14Å; S236-L288 CarbonylContact C-O 3.59Å; S236-L288 WeakPolarHBondContact CA-O 3.45Å; S236-H289 PolarHBondContact OG-CD2 3.35Å
237Y94.9Very high81.1Confident24 Ų2455.4 Ų55.49%0.09431%0.31CS..EExtended strand (participates in β ladder)trans-86.6130.6161.6-61.7-74.3000108.2Y193 F203 I208 Q287 L288 R290Y193-Y237 HydrophobicContact CD1-CE2 4.11Å; Y193-Y237 AromaticContact CE1-CE1 3.9Å; Y193-Y237 HydrophobicContact CE1-CE1 3.9Å; Y193-Y237 HydrophobicContact CE1-CE2 4.06Å; Y193-Y237 AromaticContact CE1-CZ 3.61Å; F203-Y237 AromaticContact CZ-CD2 3.98Å; F203-Y237 HydrophobicContact CZ-CD2 3.98Å; F203-Y237 HydrophobicContact CZ-CG 4.07Å; I208-Y237 HydrophobicContact CD1-CD1 4.02Å; I208-Y237 HydrophobicContact CD1-CE1 4.36Å; Y237-Q287 CarbonylContact O-C 3.52Å; Y237-Q287 WeakPolarHBondContact O-CA 3.29Å; Y237-L288 PolarHBondContact N-O 3.16Å; Y237-L288 PolarHBondContact O-N 3.11Å; Y237-R290 HydrophobicContact CD2-CG 3.82Å; Y237-R290 HydrophobicContact CE2-CB 4.16Å; Y237-R290 HydrophobicContact CE2-CG 3.54Å; Y237-R290 HydrophobicContact CG-CG 4.46Å; Y237-R290 PolarHBondContact OH-NH2 3.22Å
238F94.9Very high83.2Confident7 Ų753.5 Ų53.53%0.03131%0.305CS..EExtended strand (participates in β ladder)trans-97.8130.8166.2-70.6-97.9000107.3L209 H211 C276 V282 A285 F286 Q287L209-F238 PolarHBondContact N-O 3.24Å; H211-F238 AromaticContact CE1-CD2 3.54Å; H211-F238 AromaticContact CE1-CE2 3.72Å; H211-F238 AromaticContact ND1-CD2 3.9Å; F238-C276 HydrophobicContact CE2-CB 3.73Å; F238-C276 HydrophobicContact CZ-CB 3.79Å; F238-V282 HydrophobicContact CB-CG1 4.49Å; F238-V282 HydrophobicContact CD1-CB 3.81Å; F238-V282 HydrophobicContact CD1-CG1 3.53Å; F238-V282 HydrophobicContact CD1-CG2 4Å; F238-V282 HydrophobicContact CD2-CG2 4.46Å; F238-V282 HydrophobicContact CE1-CB 3.69Å; F238-V282 HydrophobicContact CE1-CG1 3.97Å; F238-V282 HydrophobicContact CE1-CG2 3.84Å; F238-V282 HydrophobicContact CE2-CG2 4.34Å; F238-V282 HydrophobicContact CG-CG1 4.13Å; F238-V282 HydrophobicContact CG-CG2 4.3Å; F238-V282 HydrophobicContact CZ-CB 4.35Å; F238-V282 HydrophobicContact CZ-CG2 4.02Å; F238-A285 HydrophobicContact CD1-CB 4.22Å; F238-A285 HydrophobicContact CE1-CB 3.88Å; F238-F286 WeakPolarHBondContact CA-O 3.12Å; F238-Q287 HydrophobicContact CD1-CB 4.29Å; F238-Q287 HydrophobicContact CE1-CB 4.05Å; F238-Q287 HydrophobicContact CZ-CB 4.29Å
239I95.2Very high85.3Confident1 Ų144.2 Ų44.21%0.00526%0.257CS..BIsolated β-bridgetrans-132.3160.8-175.566.3160.2000111.4F203 S207 I208 V242 M245 F286 L288F203-I239 HydrophobicContact CB-CD1 3.89Å; F203-I239 HydrophobicContact CD1-CD1 4.1Å; F203-I239 HydrophobicContact CD2-CD1 4.48Å; F203-I239 HydrophobicContact CD2-CG2 3.73Å; F203-I239 HydrophobicContact CE2-CG2 3.74Å; F203-I239 HydrophobicContact CG-CD1 3.93Å; F203-I239 HydrophobicContact CG-CG2 4.21Å; F203-I239 HydrophobicContact CZ-CG2 4.24Å; S207-I239 CarbonylContact O-C 3.55Å; S207-I239 WeakPolarHBondContact O-CA 2.97Å; S207-I239 VanDerWaalsContact O-CB 3.24Å; S207-I239 WeakPolarHBondContact O-CB 3.28Å; I208-I239 HydrophobicContact CG1-CG2 4.19Å; I239-V242 HydrophobicContact CD1-CG2 3.9Å; I239-M245 HydrophobicContact CD1-CE 3.38Å; I239-M245 HydrophobicContact CG1-CE 4.16Å; I239-F286 HydrophobicContact CG1-CB 4.46Å; I239-F286 PolarHBondContact N-O 3.36Å; I239-F286 WeakPolarHBondContact O-CB 3.45Å; I239-L288 HydrophobicContact CD1-CD1 3.7Å; I239-L288 HydrophobicContact CG1-CD1 3.85Å
240E93.9Very high87Confident17 Ų1743 Ų438%0.07925%0.246CC..  trans-65.1148.6159.172.8-171.4145.800109.5K153 L157 A180 S207 L209 V242K153-E240 WeakPolarHBondContact CD-OE2 3.33Å; K153-E240 IonicContact NZ-OE1 2.66Å; K153-E240 PolarHBondContact NZ-OE1 3.33Å; K153-E240 IonicContact NZ-OE2 3.34Å; L157-E240 HydrophobicContact CD1-CB 4.06Å; A180-E240 HydrophobicContact CB-CG 3.89Å; S207-E240 WeakPolarHBondContact CA-OE1 3.48Å; S207-E240 PolarHBondContact O-N 2.98Å; L209-E240 HydrophobicContact CD1-CB 4.25Å; E240-V242 PolarHBondContact O-N 3.35Å
241P94.4Very high88.4Confident0 Ų043.1 Ų43.10%025%0.246CC..  trans-61.9140.9178.527.4-32.7000110L157 I178 F179 A180 M245 L249 F286L157-P241 HydrophobicContact CD2-CG 3.71Å; I178-P241 HydrophobicContact CD1-CG 4.49Å; I178-P241 HydrophobicContact CG1-CG 4.18Å; I178-P241 WeakPolarHBondContact O-CG 3.35Å; F179-P241 CarbonylContact C-O 3.59Å; F179-P241 VanDerWaalsContact CA-O 3.28Å; F179-P241 WeakPolarHBondContact CA-O 3.5Å; F179-P241 HydrophobicContact CD1-CB 3.86Å; F179-P241 HydrophobicContact CD1-CG 4.24Å; F179-P241 HydrophobicContact CE1-CB 3.97Å; F179-P241 HydrophobicContact CE1-CG 4.48Å; A180-P241 PolarHBondContact N-O 2.7Å; P241-M245 HydrophobicContact CB-SD 4.46Å; P241-L249 HydrophobicContact CB-CD1 3.9Å; P241-F286 HydrophobicContact CB-CD1 4.31Å; P241-F286 HydrophobicContact CB-CE1 4.21Å; P241-F286 HydrophobicContact CB-CE2 4.48Å; P241-F286 HydrophobicContact CB-CZ 4.3Å; P241-F286 HydrophobicContact CG-CE2 4.24Å; P241-F286 HydrophobicContact CG-CZ 4.28Å
242V95.4Very high89.9Confident0 Ų039.4 Ų39.40%023%0.233CC..BIsolated β-bridgetrans-106147.1177.1-176.40000108.2A180 F203 I239 E240 W244 M245A180-V242 HydrophobicContact CB-CG2 4.23Å; A180-V242 WeakPolarHBondContact O-CA 3.44Å; F203-V242 HydrophobicContact CB-CG2 3.95Å; I239-V242 HydrophobicContact CD1-CG2 3.9Å; E240-V242 PolarHBondContact O-N 3.35Å; V242-W244 HydrophobicContact CG1-CG 4.36Å; V242-W244 PolarHBondContact O-N 2.8Å; V242-M245 HydrophobicContact CB-CG 4.49Å; V242-M245 HydrophobicContact CG2-CE 4.48Å; V242-M245 WeakPolarHBondContact O-CA 3.49Å; V242-M245 WeakPolarHBondContact O-CB 3.34Å; V242-M245 WeakPolarHBondContact O-CG 3.47Å; V242-M245 PolarHBondContact O-N 3.41Å
243Q94.6Very high90.8Very high85 Ų8539.4 Ų39.440%0.39723%0.23SC..G310 helixtrans-45.1-40.2-177.7-77.6170.1-12.900114.6F179 A180 D182 M245 E246F179-Q243 HydrophobicContact CB-CG 3.87Å; A180-Q243 WeakPolarHBondContact O-CG 3.5Å; A180-Q243 PolarHBondContact O-N 3.23Å; D182-Q243 HydrophobicContact CB-CB 4.27Å; Q243-M245 PolarHBondContact O-N 2.64Å; Q243-M245 VanDerWaalsContact O-N 3.09Å; Q243-E246 VanDerWaalsContact O-CB 3.27Å; Q243-E246 WeakPolarHBondContact O-CB 3.39Å; Q243-E246 PolarHBondContact O-N 3.05Å; Q243-E246 VanDerWaalsContact O-N 3.09Å
244W95.3Very high91.6Very high28 Ų2840.3 Ų40.311%0.10624%0.238CC..G310 helixtrans-64.6-16.5179.166.6-101.2000114.1L202 V242 L258 P260 L266L202-W244 HydrophobicContact CB-CZ2 4.24Å; L202-W244 HydrophobicContact CD2-CZ2 4.15Å; L202-W244 PolarHBondContact O-NE1 2.89Å; V242-W244 HydrophobicContact CG1-CG 4.36Å; V242-W244 PolarHBondContact O-N 2.8Å; W244-L258 WeakPolarHBondContact CZ3-O 2.91Å; W244-P260 HydrophobicContact CB-CB 4.5Å; W244-P260 HydrophobicContact CB-CG 4.15Å; W244-P260 HydrophobicContact CD2-CG 4.08Å; W244-P260 HydrophobicContact CE3-CG 4.02Å; W244-P260 HydrophobicContact CG-CG 4.13Å; W244-L266 HydrophobicContact CH2-CD1 3.96Å
245M95.6Very high92Very high1 Ų140.4 Ų40.41%0.00524%0.243CC..G310 helixtrans-80.5-23176.5-59-176.8174.400112.7I239 P241 V242 Q243 P247 A248 L249 L257 L288I239-M245 HydrophobicContact CD1-CE 3.38Å; I239-M245 HydrophobicContact CG1-CE 4.16Å; P241-M245 HydrophobicContact CB-SD 4.46Å; V242-M245 HydrophobicContact CB-CG 4.49Å; V242-M245 HydrophobicContact CG2-CE 4.48Å; V242-M245 WeakPolarHBondContact O-CA 3.49Å; V242-M245 WeakPolarHBondContact O-CB 3.34Å; V242-M245 WeakPolarHBondContact O-CG 3.47Å; V242-M245 PolarHBondContact O-N 3.41Å; Q243-M245 PolarHBondContact O-N 2.64Å; Q243-M245 VanDerWaalsContact O-N 3.09Å; M245-P247 VanDerWaalsContact C-CD 3.45Å; M245-P247 VanDerWaalsContact C-N 3.34Å; M245-P247 VanDerWaalsContact O-N 3.16Å; M245-A248 WeakPolarHBondContact O-CA 3.27Å; M245-A248 WeakPolarHBondContact O-CB 3.18Å; M245-A248 PolarHBondContact O-N 3.01Å; M245-L249 HydrophobicContact CB-CD1 4.35Å; M245-L249 HydrophobicContact CB-CG 4.37Å; M245-L249 PolarHBondContact O-N 3.18Å; M245-L257 HydrophobicContact CB-CD2 4.32Å; M245-L257 HydrophobicContact CE-CD1 3.98Å; M245-L257 HydrophobicContact CG-CD2 4.15Å; M245-L257 HydrophobicContact SD-CD1 4.17Å; M245-L257 HydrophobicContact SD-CD2 4.12Å; M245-L288 HydrophobicContact CE-CD1 3.73Å
246E91.6Very high92.3Very high56 Ų5641.5 Ų41.526%0.26224%0.242SC..Hα-helixtrans-46.1-48.5-172.4176.7179.8-155.400113.3F179 Q243 A248 L249 L250F179-E246 HydrophobicContact CE1-CB 3.8Å; F179-E246 HydrophobicContact CE1-CG 4.44Å; F179-E246 HydrophobicContact CE2-CB 4.5Å; F179-E246 HydrophobicContact CE2-CG 4.36Å; F179-E246 HydrophobicContact CZ-CB 3.76Å; F179-E246 HydrophobicContact CZ-CG 3.88Å; Q243-E246 VanDerWaalsContact O-CB 3.27Å; Q243-E246 WeakPolarHBondContact O-CB 3.39Å; Q243-E246 PolarHBondContact O-N 3.05Å; Q243-E246 VanDerWaalsContact O-N 3.09Å; E246-A248 PolarHBondContact O-N 3.09Å; E246-L249 PolarHBondContact O-N 2.83Å; E246-L250 HydrophobicContact CG-CD1 4.3Å; E246-L250 HydrophobicContact CG-CG 4.4Å; E246-L250 WeakPolarHBondContact O-CG 3.34Å; E246-L250 PolarHBondContact O-N 3.09Å
247P91.1Very high92.5Very high104 Ų10441.1 Ų41.168%0.67524%0.239SC*.Hα-helixtrans-61.8-22.9180-22.934.8000114.7M245M245-P247 VanDerWaalsContact C-CD 3.45Å; M245-P247 VanDerWaalsContact C-N 3.34Å; M245-P247 VanDerWaalsContact O-N 3.16Å
248A91.6Very high92.6Very high42 Ų4242.5 Ų42.535%0.34725%0.248SC..Hα-helixtrans-86.2-19.7177.600000112.9M245 E246 V252 F269M245-A248 WeakPolarHBondContact O-CA 3.27Å; M245-A248 WeakPolarHBondContact O-CB 3.18Å; M245-A248 PolarHBondContact O-N 3.01Å; E246-A248 PolarHBondContact O-N 3.09Å; A248-V252 WeakPolarHBondContact O-CG2 3.36Å; A248-F269 VanDerWaalsContact O-CE1 3.32Å; A248-F269 WeakPolarHBondContact O-CE1 3.3Å; A248-F269 WeakPolarHBondContact O-CZ 3.1Å
249L89.9Confident92.8Very high0 Ų042.2 Ų42.20%025%0.247CC..Hα-helixtrans-90.6-31.2-176-57.4-173.4000112.7Y164 L174 F179 P241 M245 E246 G251 V252 F269 W271 F286Y164-L249 PolarHBondContact OH-O 3.09Å; L174-L249 HydrophobicContact CD1-CB 3.81Å; L174-L249 HydrophobicContact CD1-CD1 4.3Å; F179-L249 HydrophobicContact CE1-CD1 3.87Å; F179-L249 HydrophobicContact CZ-CD1 4.35Å; P241-L249 HydrophobicContact CB-CD1 3.9Å; M245-L249 HydrophobicContact CB-CD1 4.35Å; M245-L249 HydrophobicContact CB-CG 4.37Å; M245-L249 PolarHBondContact O-N 3.18Å; E246-L249 PolarHBondContact O-N 2.83Å; L249-G251 PolarHBondContact O-N 3Å; L249-V252 WeakPolarHBondContact O-CG2 3.27Å; L249-V252 PolarHBondContact O-N 2.79Å; L249-F269 HydrophobicContact CD2-CB 4.19Å; L249-F269 HydrophobicContact CD2-CD1 3.54Å; L249-F269 HydrophobicContact CD2-CD2 3.45Å; L249-F269 VanDerWaalsContact CD2-CD2 3.45Å; L249-F269 HydrophobicContact CD2-CE1 3.67Å; L249-F269 HydrophobicContact CD2-CE2 3.6Å; L249-F269 HydrophobicContact CD2-CG 3.43Å; L249-F269 VanDerWaalsContact CD2-CG 3.43Å; L249-F269 HydrophobicContact CD2-CZ 3.7Å; L249-W271 HydrophobicContact CB-CZ2 4.27Å; L249-W271 HydrophobicContact CD1-CZ2 4.16Å; L249-F286 HydrophobicContact CD1-CD1 4.36Å; L249-F286 HydrophobicContact CD1-CE1 3.67Å; L249-F286 HydrophobicContact CD1-CZ 4.41Å; L249-F286 HydrophobicContact CD2-CD1 4.09Å; L249-F286 HydrophobicContact CD2-CE1 3.7Å; L249-F286 HydrophobicContact CG-CE1 4.34Å
250L84.6Confident92.8Very high80 Ų8044.5 Ų44.542%0.41926%0.262SS..THydrogen-bonded Turntrans-58.9127.9-172.1-70.1170.3000112.7L174 E246 V252L174-L250 HydrophobicContact CD1-CD2 4.32Å; L174-L250 HydrophobicContact CG-CD2 4.29Å; E246-L250 HydrophobicContact CG-CD1 4.3Å; E246-L250 HydrophobicContact CG-CG 4.4Å; E246-L250 WeakPolarHBondContact O-CG 3.34Å; E246-L250 PolarHBondContact O-N 3.09Å; L250-V252 PolarHBondContact O-N 2.96Å
251G80.9Confident93Very high61 Ų6150.3 Ų50.363%0.62929%0.287SS*.THydrogen-bonded Turntrans71.68.5171.600000115.4Y164 L249Y164-G251 PolarHBondContact OH-N 3.43Å; L249-G251 PolarHBondContact O-N 3Å
252V87.3Confident93.1Very high62 Ų6251.8 Ų51.838%0.37630%0.297SS..  trans-132.4150.3-178.1-67.20000112Y164 A248 L249 L250 F269 W271Y164-V252 PolarHBondContact OH-O 3.39Å; A248-V252 WeakPolarHBondContact O-CG2 3.36Å; L249-V252 WeakPolarHBondContact O-CG2 3.27Å; L249-V252 PolarHBondContact O-N 2.79Å; L250-V252 PolarHBondContact O-N 2.96Å; V252-F269 HydrophobicContact CG2-CE2 4.18Å; V252-F269 HydrophobicContact CG2-CZ 3.64Å; V252-W271 PolarHBondContact O-NE1 2.99Å
253M86.2Confident93.3Very high56 Ų5660 Ų6028%0.27633%0.328SS..SBendtrans-88.2-25.1-179.6-68.5-58.2-69.600113.7Y164 Q168 W271 C272Y164-M253 HydrophobicContact CD1-CE 4.4Å; Y164-M253 HydrophobicContact CD1-SD 3.45Å; Y164-M253 WeakPolarHBondContact CD1-SD 3.39Å; Y164-M253 HydrophobicContact CE1-SD 3.58Å; Y164-M253 VanDerWaalsContact CE1-SD 3.58Å; Q168-M253 PolarHBondContact NE2-SD 3.19Å; M253-W271 HydrophobicContact CE-CB 3.89Å; M253-W271 PolarHBondContact O-N 3.11Å; M253-W271 HydrophobicContact SD-CB 4.43Å; M253-C272 WeakPolarHBondContact CE-SG 3.36Å
254N93.3Very high93.4Very high109 Ų10957.3 Ų57.358%0.58332%0.318SS*.EExtended strand (participates in β ladder)trans-156.3160.3179.858.481000109.7F269N254-F269 VanDerWaalsContact CA-O 3.22Å; N254-F269 WeakPolarHBondContact CA-O 3.31Å; N254-F269 WeakPolarHBondContact CB-O 3.42Å
255G95.2Very high93.6Very high23 Ų2360.7 Ų60.724%0.23733%0.334CS..EExtended strand (participates in β ladder)trans176.3-175.1-178.100000114.3S268 F269G255-S268 CarbonylContact O-C 3.54Å; G255-S268 WeakPolarHBondContact O-CA 3.19Å; G255-S268 WeakPolarHBondContact O-CB 3.47Å; G255-F269 PolarHBondContact N-O 3.37Å; G255-F269 WeakPolarHBondContact O-CD1 3.27Å; G255-F269 PolarHBondContact O-N 2.91Å
256Q97.4Very high93.7Very high107 Ų10760.7 Ų60.750%0.533%0.334SS..EExtended strand (participates in β ladder)trans-95.7139.4179.7-60.5-172-3.800111.2L258Q256-L258 HydrophobicContact CB-CD2 4.36Å
257L98.2Very high94Very high1 Ų158 Ų581%0.00532%0.321CS..EExtended strand (participates in β ladder)trans-95.3116170.6-64.1176000109.2M245 L266 G267 F269 L288M245-L257 HydrophobicContact CB-CD2 4.32Å; M245-L257 HydrophobicContact CE-CD1 3.98Å; M245-L257 HydrophobicContact CG-CD2 4.15Å; M245-L257 HydrophobicContact SD-CD1 4.17Å; M245-L257 HydrophobicContact SD-CD2 4.12Å; L257-L266 PolarHBondContact O-N 3.09Å; L257-G267 PolarHBondContact N-O 3.49Å; L257-G267 PolarHBondContact O-N 2.85Å; L257-F269 HydrophobicContact CD1-CB 4.47Å; L257-F269 HydrophobicContact CD2-CD1 3.78Å; L257-F269 HydrophobicContact CG-CB 4.49Å; L257-F269 HydrophobicContact CG-CD1 4.14Å; L257-L288 HydrophobicContact CD1-CD1 4.16Å
258L98.4Very high94.3Very high53 Ų5354.4 Ų54.428%0.27730%0.298SS..EExtended strand (participates in β ladder)trans-107144.3178.8-55.4-174.8000110.3W244 Q256 K265W244-L258 WeakPolarHBondContact CZ3-O 2.91Å; Q256-L258 HydrophobicContact CB-CD2 4.36Å; L258-K265 HydrophobicContact CD2-CB 4.07Å; L258-K265 HydrophobicContact CD2-CG 4.42Å
259C97.9Very high94.5Very high0 Ų052.6 Ų52.60%028%0.283CS..  trans-61127.8173.6179.10000110.3K261 C262 R263 S264 L266C259-K261 PolarHBondContact O-N 3.43Å; C259-C262 VanDerWaalsContact SG-SG 3.7Å; C259-R263 WeakPolarHBondContact O-CA 3.43Å; C259-R263 PolarHBondContact O-N 3.5Å; C259-S264 PolarHBondContact N-O 2.81Å; C259-L266 HydrophobicContact CB-CD1 3.85Å; C259-L266 HydrophobicContact CB-CD2 4.25Å; C259-L266 HydrophobicContact CB-CG 4.09Å
260P96.9Very high94.7Very high49 Ų4953.4 Ų53.432%0.31829%0.289SS..THydrogen-bonded Turntrans-66.8-21.8-177.525.7-35.2000113W244W244-P260 HydrophobicContact CB-CB 4.5Å; W244-P260 HydrophobicContact CB-CG 4.15Å; W244-P260 HydrophobicContact CD2-CG 4.08Å; W244-P260 HydrophobicContact CE3-CG 4.02Å; W244-P260 HydrophobicContact CG-CG 4.13Å
261K97.1Very high94.9Very high139 Ų13949.6 Ų49.660%0.60427%0.269SS*.THydrogen-bonded Turntrans-87.6-50.1177.9179.6176.5178.3-173.40113.8C198 R200 C259C198-K261 HydrophobicContact CB-CD 4.06Å; C198-K261 HydrophobicContact CB-CG 4.35Å; C198-K261 PolarHBondContact O-NZ 3.42Å; R200-K261 HydrophobicContact CB-CB 4.08Å; R200-K261 HydrophobicContact CB-CD 3.95Å; R200-K261 HydrophobicContact CG-CB 4.48Å; C259-K261 PolarHBondContact O-N 3.43Å
262C97.7Very high95.3Very high32 Ų3250 Ų5022%0.21626%0.261CS..THydrogen-bonded Turntrans-1174.4-171.170.60000114.7K197 C198 C259 S264K197-C262 HydrophobicContact CD-CB 4.37Å; C198-C262 HydrophobicContact CB-CB 3.7Å; C259-C262 VanDerWaalsContact SG-SG 3.7Å; C262-S264 PolarHBondContact O-N 3.08Å; C262-S264 PolarHBondContact SG-OG 2.87Å
263R97.8Very high95.5Very high172 Ų17247.2 Ų47.265%0.64925%0.245SC*.  trans58.78.8177.3-50.4-65.7-70.8-173.9-3.1115.4C259C259-R263 WeakPolarHBondContact O-CA 3.43Å; C259-R263 PolarHBondContact O-N 3.5Å
264S97.9Very high95.8Very high28 Ų2847.2 Ų47.220%0.19625%0.246CC..  trans-64.4138.4174.662.40000110.8C259 C262 L266C259-S264 PolarHBondContact N-O 2.81Å; C262-S264 PolarHBondContact O-N 3.08Å; C262-S264 PolarHBondContact SG-OG 2.87Å; S264-L266 PolarHBondContact O-N 2.85Å
265K98.2Very high95.7Very high100 Ų10047 Ų4744%0.43524%0.241SC..EExtended strand (participates in β ladder)trans-61.8123.1174.3-172.6174-179.8171.60111.1L258L258-K265 HydrophobicContact CD2-CB 4.07Å; L258-K265 HydrophobicContact CD2-CG 4.42Å
266L98.4Very high95.5Very high0 Ų046 Ų460%023%0.231CC..EExtended strand (participates in β ladder)trans-102-33.5179.9-62.8173.5000112C195 L202 W244 L257 C259 S264 L288 H289 R292C195-L266 HydrophobicContact CB-CD2 4.44Å; L202-L266 HydrophobicContact CD1-CD1 3.59Å; L202-L266 HydrophobicContact CD1-CD2 3.85Å; L202-L266 HydrophobicContact CD1-CG 4.33Å; L202-L266 HydrophobicContact CD2-CD1 3.64Å; L202-L266 HydrophobicContact CG-CD1 4.24Å; W244-L266 HydrophobicContact CH2-CD1 3.96Å; L257-L266 PolarHBondContact O-N 3.09Å; C259-L266 HydrophobicContact CB-CD1 3.85Å; C259-L266 HydrophobicContact CB-CD2 4.25Å; C259-L266 HydrophobicContact CB-CG 4.09Å; S264-L266 PolarHBondContact O-N 2.85Å; L266-L288 HydrophobicContact CB-CD2 4Å; L266-L288 HydrophobicContact CB-CG 4.35Å; L266-L288 HydrophobicContact CD1-CD2 4.11Å; L266-H289 PolarHBondContact O-N 3.49Å; L266-R292 HydrophobicContact CD2-CB 4.27Å
267G97.6Very high95.1Very high0 Ų042.8 Ų42.80%022%0.22CC..EExtended strand (participates in β ladder)trans173.2-143.1-179.100000111.4L257 Q287L257-G267 PolarHBondContact N-O 3.49Å; L257-G267 PolarHBondContact O-N 2.85Å; G267-Q287 VanDerWaalsContact CA-O 3.3Å; G267-Q287 WeakPolarHBondContact CA-O 3.32Å
268S97.4Very high94.5Very high28 Ų2842.7 Ų42.720%0.19622%0.22CC..EExtended strand (participates in β ladder)trans-149.8169.3-179.561.60000111.5G255 Q287G255-S268 CarbonylContact O-C 3.54Å; G255-S268 WeakPolarHBondContact O-CA 3.19Å; G255-S268 WeakPolarHBondContact O-CB 3.47Å; S268-Q287 PolarHBondContact N-O 3.39Å; S268-Q287 VanDerWaalsContact N-O 3.08Å; S268-Q287 VanDerWaalsContact O-CG 3.27Å; S268-Q287 WeakPolarHBondContact O-CG 3.5Å; S268-Q287 PolarHBondContact O-N 2.66Å; S268-Q287 VanDerWaalsContact O-O 3.14Å; S268-Q287 PolarHBondContact OG-NE2 3.15Å
269F95.9Very high93.9Very high4 Ų440.7 Ų40.72%0.01821%0.212CC..EExtended strand (participates in β ladder)trans-132157.216971.9-84.2000111.3A248 L249 V252 N254 G255 L257 W271 A285 F286A248-F269 VanDerWaalsContact O-CE1 3.32Å; A248-F269 WeakPolarHBondContact O-CE1 3.3Å; A248-F269 WeakPolarHBondContact O-CZ 3.1Å; L249-F269 HydrophobicContact CD2-CB 4.19Å; L249-F269 HydrophobicContact CD2-CD1 3.54Å; L249-F269 HydrophobicContact CD2-CD2 3.45Å; L249-F269 VanDerWaalsContact CD2-CD2 3.45Å; L249-F269 HydrophobicContact CD2-CE1 3.67Å; L249-F269 HydrophobicContact CD2-CE2 3.6Å; L249-F269 HydrophobicContact CD2-CG 3.43Å; L249-F269 VanDerWaalsContact CD2-CG 3.43Å; L249-F269 HydrophobicContact CD2-CZ 3.7Å; V252-F269 HydrophobicContact CG2-CE2 4.18Å; V252-F269 HydrophobicContact CG2-CZ 3.64Å; N254-F269 VanDerWaalsContact CA-O 3.22Å; N254-F269 WeakPolarHBondContact CA-O 3.31Å; N254-F269 WeakPolarHBondContact CB-O 3.42Å; G255-F269 PolarHBondContact N-O 3.37Å; G255-F269 WeakPolarHBondContact O-CD1 3.27Å; G255-F269 PolarHBondContact O-N 2.91Å; L257-F269 HydrophobicContact CD1-CB 4.47Å; L257-F269 HydrophobicContact CD2-CD1 3.78Å; L257-F269 HydrophobicContact CG-CB 4.49Å; L257-F269 HydrophobicContact CG-CD1 4.14Å; F269-W271 AromaticContact CE2-CD1 3.94Å; F269-W271 AromaticContact CE2-NE1 3.88Å; F269-A285 CarbonylContact C-O 3.57Å; F269-A285 WeakPolarHBondContact CA-O 3.44Å; F269-F286 HydrophobicContact CB-CD1 3.5Å; F269-F286 HydrophobicContact CB-CE1 3.99Å; F269-F286 HydrophobicContact CB-CG 4.32Å; F269-F286 HydrophobicContact CD2-CE1 4.33Å; F269-F286 HydrophobicContact CG-CD1 4.29Å; F269-F286 HydrophobicContact CG-CE1 4.4Å
270S94Very high93.5Very high18 Ų1846.3 Ų46.313%0.12623%0.233CC..EExtended strand (participates in β ladder)trans-149.4118.5172.7177.30000109.3C272 G273 A285S270-C272 VanDerWaalsContact C-N 3.27Å; S270-C272 PolarHBondContact O-N 2.95Å; S270-C272 PolarHBondContact OG-N 2.71Å; S270-G273 WeakPolarHBondContact CB-O 3.19Å; S270-G273 PolarHBondContact O-N 3.28Å; S270-G273 VanDerWaalsContact O-N 3.09Å; S270-G273 PolarHBondContact OG-N 3.18Å; S270-G273 PolarHBondContact OG-O 3.48Å; S270-A285 PolarHBondContact N-O 2.97Å; S270-A285 PolarHBondContact O-N 3.29Å
271W89.5Confident93.1Very high0 Ų050.9 Ų50.90%024%0.244CC..THydrogen-bonded Turntrans-64.7-34.7173.4-72104.2000111.2V160 T161 Y164 L174 I178 L249 V252 M253 F269 G273 P284 F286V160-W271 HydrophobicContact CG1-CH2 4.48Å; V160-W271 HydrophobicContact CG1-CZ3 4.28Å; T161-W271 HydrophobicContact CG2-CB 4.42Å; T161-W271 WeakPolarHBondContact CG2-O 3.26Å; Y164-W271 HydrophobicContact CD1-CG 4.46Å; Y164-W271 HydrophobicContact CD2-CD2 4.43Å; Y164-W271 HydrophobicContact CD2-CZ2 4.42Å; Y164-W271 AromaticContact CE1-CD1 3.93Å; Y164-W271 HydrophobicContact CE1-CG 4.29Å; Y164-W271 AromaticContact CE1-NE1 3.99Å; Y164-W271 HydrophobicContact CE2-CD2 4.41Å; Y164-W271 AromaticContact CE2-CE2 3.89Å; Y164-W271 AromaticContact CE2-CZ2 3.96Å; Y164-W271 HydrophobicContact CE2-CZ2 3.96Å; Y164-W271 AromaticContact CZ-CE2 3.92Å; Y164-W271 AromaticContact CZ-NE1 3.6Å; Y164-W271 PolarHBondContact OH-NE1 2.86Å; L174-W271 HydrophobicContact CD1-CH2 4.26Å; L174-W271 HydrophobicContact CD1-CZ2 3.8Å; L174-W271 HydrophobicContact CD2-CH2 3.78Å; L174-W271 HydrophobicContact CD2-CZ2 3.89Å; I178-W271 HydrophobicContact CD1-CH2 4.07Å; L249-W271 HydrophobicContact CB-CZ2 4.27Å; L249-W271 HydrophobicContact CD1-CZ2 4.16Å; V252-W271 PolarHBondContact O-NE1 2.99Å; M253-W271 HydrophobicContact CE-CB 3.89Å; M253-W271 PolarHBondContact O-N 3.11Å; M253-W271 HydrophobicContact SD-CB 4.43Å; F269-W271 AromaticContact CE2-CD1 3.94Å; F269-W271 AromaticContact CE2-NE1 3.88Å; W271-G273 PolarHBondContact O-N 3.31Å; W271-P284 HydrophobicContact CE3-CB 4.23Å; W271-F286 HydrophobicContact CD2-CZ 4.33Å; W271-F286 HydrophobicContact CE3-CZ 4.15Å; W271-F286 AromaticContact CH2-CZ 3.87Å; W271-F286 HydrophobicContact CH2-CZ 3.87Å; W271-F286 HydrophobicContact CZ2-CE1 4.36Å; W271-F286 HydrophobicContact CZ2-CZ 4.05Å; W271-F286 AromaticContact CZ3-CZ 3.93Å; W271-F286 HydrophobicContact CZ3-CZ 3.93Å
272C89.8Confident92.8Very high68 Ų6844.8 Ų44.846%0.45922%0.219SC..THydrogen-bonded Turntrans-76.23.6173.5-56.40000113.7M253 S270 W281 M283M253-C272 WeakPolarHBondContact CE-SG 3.36Å; S270-C272 VanDerWaalsContact C-N 3.27Å; S270-C272 PolarHBondContact O-N 2.95Å; S270-C272 PolarHBondContact OG-N 2.71Å; C272-W281 WeakPolarHBondContact O-CZ2 3.49Å; C272-M283 WeakPolarHBondContact O-CE 3.43Å
273G91.8Very high92.4Very high5 Ų547 Ų475%0.05223%0.227CC..  trans83.1172-176.600000114.7S270 W271 V282S270-G273 WeakPolarHBondContact CB-O 3.19Å; S270-G273 PolarHBondContact O-N 3.28Å; S270-G273 VanDerWaalsContact O-N 3.09Å; S270-G273 PolarHBondContact OG-N 3.18Å; S270-G273 PolarHBondContact OG-O 3.48Å; W271-G273 PolarHBondContact O-N 3.31Å; G273-V282 CarbonylContact C-O 3.25Å; G273-V282 WeakPolarHBondContact CA-O 3.38Å
274D92.3Very high92.1Very high55 Ų5539 Ų3929%0.29420%0.197SC..EExtended strand (participates in β ladder)trans-150.7156179.9-161.41.8000110.1V282 A285 Q287D274-V282 PolarHBondContact N-O 3.37Å; D274-V282 PolarHBondContact O-N 3.26Å; D274-A285 HydrophobicContact CB-CB 3.68Å; D274-Q287 PolarHBondContact OD2-NE2 2.85Å
275Q91.3Very high92Very high104 Ų10437.7 Ų37.749%0.48619%0.188SC..EExtended strand (participates in β ladder)trans-85122178.1-167.9178.141.500110.6G279 W281Q275-G279 PolarHBondContact NE2-O 2.85Å; Q275-W281 HydrophobicContact CB-CE3 4.09Å; Q275-W281 HydrophobicContact CB-CZ3 4.31Å
276C90.8Very high91.9Very high4 Ų433 Ų333%0.02717%0.168CC..  trans-68.2152.9171.8-1790000111.2H211 F238 C278 G279 R280 V282H211-C276 VanDerWaalsContact CE1-SG 3.53Å; H211-C276 PolarHBondContact NE2-SG 2.84Å; F238-C276 HydrophobicContact CE2-CB 3.73Å; F238-C276 HydrophobicContact CZ-CB 3.79Å; C276-C278 PolarHBondContact O-N 2.85Å; C276-G279 WeakPolarHBondContact O-CA 3.38Å; C276-G279 PolarHBondContact O-N 3.32Å; C276-R280 WeakPolarHBondContact CB-O 3Å; C276-R280 PolarHBondContact N-O 3.06Å; C276-V282 HydrophobicContact CB-CG2 4.42Å
277S88.7Confident91.8Very high38 Ų3833.8 Ų33.827%0.26617%0.171SC..THydrogen-bonded Turntrans-52.7-16.4169.5630000115.6K224 T235 G279K224-S277 WeakPolarHBondContact CE-O 3.44Å; K224-S277 PolarHBondContact NZ-O 3.26Å; T235-S277 PolarHBondContact N-OG 3.18Å; T235-S277 WeakPolarHBondContact OG1-CB 3.33Å; T235-S277 PolarHBondContact OG1-OG 3.19Å; S277-G279 VanDerWaalsContact C-N 3.35Å
278C84.8Confident91.8Very high0 Ų033.8 Ų33.80%017%0.171CC..THydrogen-bonded Turntrans-85.9-3.8172.372.90000113.8H211 V213 G214 A217 V232 C276 R280H211-C278 PolarHBondContact NE2-SG 3.46Å; V213-C278 HydrophobicContact CG1-CB 4.21Å; G214-C278 PolarHBondContact N-O 2.9Å; A217-C278 PolarHBondContact N-O 2.93Å; A217-C278 VanDerWaalsContact N-O 3.14Å; V232-C278 HydrophobicContact CG1-CB 4.3Å; C276-C278 PolarHBondContact O-N 2.85Å; C278-R280 WeakPolarHBondContact SG-CB 3.12Å
279G85.4Confident91.7Very high11 Ų1135.4 Ų35.411%0.11318%0.176CC..SBendtrans91.4-10.4-176.400000114.4Q275 C276 S277Q275-G279 PolarHBondContact NE2-O 2.85Å; C276-G279 WeakPolarHBondContact O-CA 3.38Å; C276-G279 PolarHBondContact O-N 3.32Å; S277-G279 VanDerWaalsContact C-N 3.35Å
280R89.3Confident91.7Very high118 Ų11838.6 Ų38.645%0.44519%0.188SC..  trans-72.3131.7178.8-172.768.2-179.7-177.6-0.8110.6H211 S212 C276 C278H211-R280 HydrophobicContact CB-CG 4.16Å; S212-R280 WeakPolarHBondContact O-CG 3.17Å; C276-R280 WeakPolarHBondContact CB-O 3Å; C276-R280 PolarHBondContact N-O 3.06Å; C278-R280 WeakPolarHBondContact SG-CB 3.12Å
281W90.1Very high91.8Very high144 Ų14442.3 Ų42.355%0.54521%0.206SC..EExtended strand (participates in β ladder)trans-77126.3167.5-168.4-96.2000109.8C272 Q275C272-W281 WeakPolarHBondContact O-CZ2 3.49Å; Q275-W281 HydrophobicContact CB-CE3 4.09Å; Q275-W281 HydrophobicContact CB-CZ3 4.31Å
282V90.4Very high92.1Very high11 Ų1148.6 Ų48.67%0.06723%0.23CC..EExtended strand (participates in β ladder)trans-115.5126.1178-176.60000108.2F238 G273 D274 C276F238-V282 HydrophobicContact CB-CG1 4.49Å; F238-V282 HydrophobicContact CD1-CB 3.81Å; F238-V282 HydrophobicContact CD1-CG1 3.53Å; F238-V282 HydrophobicContact CD1-CG2 4Å; F238-V282 HydrophobicContact CD2-CG2 4.46Å; F238-V282 HydrophobicContact CE1-CB 3.69Å; F238-V282 HydrophobicContact CE1-CG1 3.97Å; F238-V282 HydrophobicContact CE1-CG2 3.84Å; F238-V282 HydrophobicContact CE2-CG2 4.34Å; F238-V282 HydrophobicContact CG-CG1 4.13Å; F238-V282 HydrophobicContact CG-CG2 4.3Å; F238-V282 HydrophobicContact CZ-CB 4.35Å; F238-V282 HydrophobicContact CZ-CG2 4.02Å; G273-V282 CarbonylContact C-O 3.25Å; G273-V282 WeakPolarHBondContact CA-O 3.38Å; D274-V282 PolarHBondContact N-O 3.37Å; D274-V282 PolarHBondContact O-N 3.26Å; C276-V282 HydrophobicContact CB-CG2 4.42Å
283M89.4Confident92.5Very high80 Ų8045.7 Ų45.739%0.39421%0.21SC..SBendtrans-141.8124.6-177-177.2-171.4-74.200111.7Q154 C272Q154-M283 PolarHBondContact NE2-O 3.3Å; C272-M283 WeakPolarHBondContact O-CE 3.43Å
284P91.9Very high92.6Very high3 Ų347 Ų472%0.01922%0.215CC..SBendcis-67.1160.2-12.930.4-35.8000111.2L157 T161 W271 F286L157-P284 HydrophobicContact CB-CG 3.72Å; T161-P284 WeakPolarHBondContact OG1-CG 3.48Å; W271-P284 HydrophobicContact CE3-CB 4.23Å; P284-F286 HydrophobicContact CB-CE2 3.9Å; P284-F286 HydrophobicContact CB-CZ 4.38Å; P284-F286 HydrophobicContact CG-CE2 3.84Å
285A94.3Very high92.7Very high1 Ų147.5 Ų47.51%0.00822%0.216CC..EExtended strand (participates in β ladder)trans-113.2114.1-177.800000111.2F238 F269 S270 D274F238-A285 HydrophobicContact CD1-CB 4.22Å; F238-A285 HydrophobicContact CE1-CB 3.88Å; F269-A285 CarbonylContact C-O 3.57Å; F269-A285 WeakPolarHBondContact CA-O 3.44Å; S270-A285 PolarHBondContact N-O 2.97Å; S270-A285 PolarHBondContact O-N 3.29Å; D274-A285 HydrophobicContact CB-CB 3.68Å
286F96Very high92.6Very high1 Ų144.9 Ų44.90%0.00421%0.205CC..EExtended strand (participates in β ladder)trans-115.498.1166.5-53.4-89.3000108.5L157 F238 I239 P241 L249 F269 W271 P284L157-F286 HydrophobicContact CD2-CE2 4.43Å; F238-F286 WeakPolarHBondContact CA-O 3.12Å; I239-F286 HydrophobicContact CG1-CB 4.46Å; I239-F286 PolarHBondContact N-O 3.36Å; I239-F286 WeakPolarHBondContact O-CB 3.45Å; P241-F286 HydrophobicContact CB-CD1 4.31Å; P241-F286 HydrophobicContact CB-CE1 4.21Å; P241-F286 HydrophobicContact CB-CE2 4.48Å; P241-F286 HydrophobicContact CB-CZ 4.3Å; P241-F286 HydrophobicContact CG-CE2 4.24Å; P241-F286 HydrophobicContact CG-CZ 4.28Å; L249-F286 HydrophobicContact CD1-CD1 4.36Å; L249-F286 HydrophobicContact CD1-CE1 3.67Å; L249-F286 HydrophobicContact CD1-CZ 4.41Å; L249-F286 HydrophobicContact CD2-CD1 4.09Å; L249-F286 HydrophobicContact CD2-CE1 3.7Å; L249-F286 HydrophobicContact CG-CE1 4.34Å; F269-F286 HydrophobicContact CB-CD1 3.5Å; F269-F286 HydrophobicContact CB-CE1 3.99Å; F269-F286 HydrophobicContact CB-CG 4.32Å; F269-F286 HydrophobicContact CD2-CE1 4.33Å; F269-F286 HydrophobicContact CG-CD1 4.29Å; F269-F286 HydrophobicContact CG-CE1 4.4Å; W271-F286 HydrophobicContact CD2-CZ 4.33Å; W271-F286 HydrophobicContact CE3-CZ 4.15Å; W271-F286 AromaticContact CH2-CZ 3.87Å; W271-F286 HydrophobicContact CH2-CZ 3.87Å; W271-F286 HydrophobicContact CZ2-CE1 4.36Å; W271-F286 HydrophobicContact CZ2-CZ 4.05Å; W271-F286 AromaticContact CZ3-CZ 3.93Å; W271-F286 HydrophobicContact CZ3-CZ 3.93Å; P284-F286 HydrophobicContact CB-CE2 3.9Å; P284-F286 HydrophobicContact CB-CZ 4.38Å; P284-F286 HydrophobicContact CG-CE2 3.84Å
287Q96.4Very high92.1Very high17 Ų1752.7 Ų52.78%0.07923%0.234CC..EExtended strand (participates in β ladder)trans-107.4133-170.465.1173.6-2000112.9S236 Y237 F238 G267 S268 D274S236-Q287 PolarHBondContact OG-OE1 3.14Å; Y237-Q287 CarbonylContact O-C 3.52Å; Y237-Q287 WeakPolarHBondContact O-CA 3.29Å; F238-Q287 HydrophobicContact CD1-CB 4.29Å; F238-Q287 HydrophobicContact CE1-CB 4.05Å; F238-Q287 HydrophobicContact CZ-CB 4.29Å; G267-Q287 VanDerWaalsContact CA-O 3.3Å; G267-Q287 WeakPolarHBondContact CA-O 3.32Å; S268-Q287 PolarHBondContact N-O 3.39Å; S268-Q287 VanDerWaalsContact N-O 3.08Å; S268-Q287 VanDerWaalsContact O-CG 3.27Å; S268-Q287 WeakPolarHBondContact O-CG 3.5Å; S268-Q287 PolarHBondContact O-N 2.66Å; S268-Q287 VanDerWaalsContact O-O 3.14Å; S268-Q287 PolarHBondContact OG-NE2 3.15Å; D274-Q287 PolarHBondContact OD2-NE2 2.85Å
288L97.6Very high91Very high0 Ų055.2 Ų55.20%024%0.244CC..EExtended strand (participates in β ladder)trans-116.9128.3167.5-73.188.7000110.2L202 F203 S236 Y237 I239 M245 L257 L266 R290 V293L202-L288 HydrophobicContact CD1-CD2 4.04Å; F203-L288 HydrophobicContact CD1-CD2 4.08Å; F203-L288 HydrophobicContact CE1-CB 4.38Å; F203-L288 HydrophobicContact CE1-CD2 3.86Å; F203-L288 HydrophobicContact CE1-CG 4.49Å; S236-L288 CarbonylContact C-O 3.59Å; S236-L288 WeakPolarHBondContact CA-O 3.45Å; Y237-L288 PolarHBondContact N-O 3.16Å; Y237-L288 PolarHBondContact O-N 3.11Å; I239-L288 HydrophobicContact CD1-CD1 3.7Å; I239-L288 HydrophobicContact CG1-CD1 3.85Å; M245-L288 HydrophobicContact CE-CD1 3.73Å; L257-L288 HydrophobicContact CD1-CD1 4.16Å; L266-L288 HydrophobicContact CB-CD2 4Å; L266-L288 HydrophobicContact CB-CG 4.35Å; L266-L288 HydrophobicContact CD1-CD2 4.11Å; L288-R290 PolarHBondContact O-N 3.5Å; L288-V293 HydrophobicContact CB-CG2 4.18Å; L288-V293 HydrophobicContact CD2-CG2 4.15Å
289H96.8Very high89.8Confident62 Ų6262.4 Ų62.429%0.28728%0.282SS..EExtended strand (participates in β ladder)trans-71.9132.2-177.9-62.5172.9000110.8S236 L266 N291 R292S236-H289 PolarHBondContact OG-CD2 3.35Å; L266-H289 PolarHBondContact O-N 3.49Å; H289-N291 WeakPolarHBondContact CB-OD1 3.18Å; H289-N291 PolarHBondContact O-N 3.04Å; H289-R292 HydrophobicContact CB-CG 4.09Å; H289-R292 PolarHBondContact O-N 3.02Å
290R95.3Very high88.5Confident71 Ų7169.5 Ų69.527%0.26831%0.311SS..G310 helixtrans-58.6-34.6-178.6-64-179.885.8133.612.1112.6C234 T235 Y237 L288 R292 V293C234-R290 WeakPolarHBondContact O-CD 3.42Å; C234-R290 PolarHBondContact O-NH1 2.87Å; T235-R290 WeakPolarHBondContact O-CB 3.38Å; T235-R290 VanDerWaalsContact O-CG 3.28Å; T235-R290 WeakPolarHBondContact O-CG 3.39Å; T235-R290 PolarHBondContact O-N 3.03Å; Y237-R290 HydrophobicContact CD2-CG 3.82Å; Y237-R290 HydrophobicContact CE2-CB 4.16Å; Y237-R290 HydrophobicContact CE2-CG 3.54Å; Y237-R290 HydrophobicContact CG-CG 4.46Å; Y237-R290 PolarHBondContact OH-NH2 3.22Å; L288-R290 PolarHBondContact O-N 3.5Å; R290-R292 PolarHBondContact O-N 3.43Å; R290-V293 PolarHBondContact O-N 3.37Å
291N95.6Very high86.7Confident95 Ų9570.7 Ų70.751%0.50833%0.325SS..G310 helixtrans-70.1-11.4178.668.5-0.6000114.4R196 H289R196-N291 VanDerWaalsContact CD-O 3.31Å; R196-N291 WeakPolarHBondContact CD-O 3.16Å; R196-N291 PolarHBondContact NH1-O 3.5Å; R196-N291 VanDerWaalsContact NH1-O 3.09Å; H289-N291 WeakPolarHBondContact CB-OD1 3.18Å; H289-N291 PolarHBondContact O-N 3.04Å
292R97.1Very high84.7Confident133 Ų13372.8 Ų72.850%0.50234%0.341SS..G310 helixtrans-101.2-5.4177.7-58.1-54.8-177.3176.6-0.3113.6R196 L266 H289 R290R196-R292 WeakPolarHBondContact CB-O 3.34Å; R196-R292 PolarHBondContact N-O 3.25Å; L266-R292 HydrophobicContact CD2-CB 4.27Å; H289-R292 HydrophobicContact CB-CG 4.09Å; H289-R292 PolarHBondContact O-N 3.02Å; R290-R292 PolarHBondContact O-N 3.43Å
293V96.2Very high82.5Confident7 Ų785.1 Ų85.14%0.04239%0.394CS..EExtended strand (participates in β ladder)trans-132132.1-170.9-178.40000109.9Y193 R194 L202 F203 L288 R290Y193-V293 HydrophobicContact CD1-CG1 4.02Å; Y193-V293 HydrophobicContact CG-CG1 4.31Å; R194-V293 CarbonylContact O-C 3.39Å; R194-V293 VanDerWaalsContact O-CA 3.32Å; R194-V293 WeakPolarHBondContact O-CA 3.43Å; L202-V293 HydrophobicContact CD1-CG2 4.07Å; F203-V293 HydrophobicContact CE1-CG1 3.97Å; F203-V293 HydrophobicContact CE1-CG2 4.47Å; F203-V293 HydrophobicContact CZ-CG1 4.22Å; L288-V293 HydrophobicContact CB-CG2 4.18Å; L288-V293 HydrophobicContact CD2-CG2 4.15Å; R290-V293 PolarHBondContact O-N 3.37Å
294D94.8Very high82.1Confident31 Ų3185.4 Ų85.417%0.16639%0.394CS..EExtended strand (participates in β ladder)trans-97.9130.5173.6-56.9-44.3000110Y193 R194 R196 R199 I296Y193-D294 WeakPolarHBondContact CA-O 3.34Å; R194-D294 PolarHBondContact N-O 3.08Å; R194-D294 PolarHBondContact O-N 3.26Å; R196-D294 WeakPolarHBondContact CA-OD2 3.45Å; R196-D294 WeakPolarHBondContact CG-OD1 3.22Å; R196-D294 IonicContact NE-OD1 3.36Å; R199-D294 IonicContact CZ-OD2 2.92Å; R199-D294 IonicContact NE-OD2 3.62Å; R199-D294 IonicContact NH1-OD2 3.6Å; R199-D294 PolarHBondContact NH1-OD2 3.46Å; D294-I296 HydrophobicContact CB-CD1 4.24Å
295E93.6Very high81.6Confident66 Ų6689.7 Ų89.731%0.30841%0.414SS..EExtended strand (participates in β ladder)trans-81.2121.3170.8-177.1177.2135.700109.3L191 Y193 R297L191-E295 HydrophobicContact CD2-CG 3.94Å; L191-E295 WeakPolarHBondContact CD2-OE1 3.44Å; Y193-E295 HydrophobicContact CD1-CB 4.18Å; Y193-E295 HydrophobicContact CD1-CG 4.44Å; Y193-E295 HydrophobicContact CE1-CB 3.8Å; Y193-E295 HydrophobicContact CE1-CG 3.72Å; E295-R297 IonicContact OE1-CZ 2.72Å; E295-R297 IonicContact OE1-NE 3.97Å; E295-R297 PolarHBondContact OE1-NE 2.86Å; E295-R297 IonicContact OE1-NH2 2.82Å; E295-R297 PolarHBondContact OE1-NH2 2.93Å
296I89.2Confident80.9Confident49 Ų4994.7 Ų94.725%0.25144%0.436SS..EExtended strand (participates in β ladder)trans-114.3114.6179.6-52.9-59.8000108.8S192 R194 D294S192-I296 PolarHBondContact N-O 3.22Å; S192-I296 VanDerWaalsContact N-O 3.14Å; S192-I296 PolarHBondContact O-N 3.37Å; R194-I296 HydrophobicContact CB-CG1 4.46Å; R194-I296 HydrophobicContact CG-CG1 3.86Å; D294-I296 HydrophobicContact CB-CD1 4.24Å
297R80.6Confident80Confident168 Ų168100.2 Ų100.263%0.63446%0.461SS*.  trans-95.6130.3171.6-61.3-177.6-176.7-169.1-1.2109L191 E295 L299L191-R297 HydrophobicContact CD2-CG 3.87Å; L191-R297 HydrophobicContact CG-CG 4.11Å; E295-R297 IonicContact OE1-CZ 2.72Å; E295-R297 IonicContact OE1-NE 3.97Å; E295-R297 PolarHBondContact OE1-NE 2.86Å; E295-R297 IonicContact OE1-NH2 2.82Å; E295-R297 PolarHBondContact OE1-NH2 2.93Å; R297-L299 PolarHBondContact O-N 3.05Å
298L67Low79Confident91 Ų91105.4 Ų105.448%0.47649%0.485SS..  trans-77.8105.8169-74.2165.7000107.7S188 S189 H300S188-L298 WeakPolarHBondContact O-CD1 3.36Å; S189-L298 VanDerWaalsContact CA-CD1 3.48Å; L298-H300 PolarHBondContact O-N 3.16Å
299L59.2Low77.8Confident152 Ų152112.4 Ų112.480%0.79652%0.518SS*.  trans-72.4112.2170.5-64.9173000107.5R297 I301R297-L299 PolarHBondContact O-N 3.05Å; L299-I301 PolarHBondContact O-N 3.26Å; L299-I301 VanDerWaalsContact O-N 3.17Å
300H56.7Low76.4Confident159 Ų159116 Ų11674%0.73653%0.534SS*.  trans-70.7106.2164.3-75.984.8000106.9L298 E302L298-H300 PolarHBondContact O-N 3.16Å; H300-E302 PolarHBondContact O-N 2.95Å
301I52.7Low75Confident143 Ų143119.5 Ų119.573%0.73356%0.555SS**  trans-84.798165.5-61.1166.4000104.9L299 K303L299-I301 PolarHBondContact O-N 3.26Å; L299-I301 VanDerWaalsContact O-N 3.17Å; I301-K303 PolarHBondContact O-N 3.23Å
302E47Very low73.2Confident189 Ų189121.5 Ų121.588%0.88356%0.559SS**  trans-60.5119.2162.8-70-177168.700106.9H300H300-E302 PolarHBondContact O-N 2.95Å
303K44.8Very low71.1Confident270 Ų270120.5 Ų120.5100%1.17456%0.564SS**  trans-88.70173.6-90.9-172.6175.5-177.80109.9I301I301-K303 PolarHBondContact O-N 3.23Å

Retrieved 303 of 303 residues in 311.9 ms (Link to these results)

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