A0A096NDS3_PAPAN Loading...

Amidophosphoribosyltransferase

Catalyzes the formation of phosphoribosylamine from phosphoribosylpyrophosphate (PRPP) and glutamine.

AlphaFold DB , UniProt , Accession A0A096NDS3, Species PAPAN (Papio anubis, Olive baboon), Gene PPAT, Length 517 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
1M23.4Very low42.1Very low229 Ų22976.4 Ų76.4100%1.12839%0.388SS*.  090.10-98.2172.260.900108.2L3M1-L3 PolarHBondContact O-N 3.3Å
2E24.9Very low45.9Very low167 Ų16770.8 Ų70.878%0.7836%0.361SS*.  trans-78.699.3-179.9-75.4164.3145.500109.2E4E2-E4 PolarHBondContact O-N 2.9Å
3L28.5Very low49.6Very low122 Ų12265.3 Ų65.364%0.63933%0.333SS*.  trans-74.387.9162.6-90149.3000107.8M1 R365M1-L3 PolarHBondContact O-N 3.3Å; L3-R365 PolarHBondContact O-NH1 3.39Å
4E33.7Very low53Low104 Ų10460.6 Ų60.649%0.48631%0.309SS..  trans-89.4152.1-174.7-150-173-13200108.7E2 R9E2-E4 PolarHBondContact O-N 2.9Å; E4-R9 VanDerWaalsContact CD-NH1 3.34Å; E4-R9 VanDerWaalsContact CG-NH2 3.3Å; E4-R9 PolarHBondContact O-NH2 2.94Å; E4-R9 IonicContact OE2-CZ 3.44Å; E4-R9 IonicContact OE2-NH1 2.71Å; E4-R9 PolarHBondContact OE2-NH1 3.49Å; E4-R9 IonicContact OE2-NH2 3.34Å; E4-R9 PolarHBondContact OE2-NH2 2.94Å; E4-R9 VanDerWaalsContact OE2-NH2 3.16Å
5E40Very low56Low55 Ų5556.6 Ų56.626%0.25729%0.288SS..  trans-33.1158.2-166.2-69.5-177.6137.800121.6G7 R9 R355E5-G7 PolarHBondContact O-N 3.44Å; E5-R9 PolarHBondContact O-NE 3Å; E5-R9 PolarHBondContact O-NH2 3.32Å; E5-R355 IonicContact OE2-NE 3.94Å
6L44.2Very low58.6Low73 Ų7353.1 Ų53.138%0.38227%0.271SS..SBendtrans-96.730.4-143.3-84.5150000117.9V369 N396 T397L6-V369 HydrophobicContact CD1-CG2 3.99Å; L6-N396 HydrophobicContact CD2-CB 3.27Å; L6-T397 PolarHBondContact O-OG1 3.39Å
7G45.8Very low60.9Low32 Ų3250 Ų5033%0.3326%0.255SS..SBendtrans-161.5-176.8179.500000112.6E5 R9E5-G7 PolarHBondContact O-N 3.44Å; G7-R9 PolarHBondContact O-N 3.38Å
8V46.6Very low63Low7 Ų747.3 Ų47.34%0.04224%0.241CC..PPolyproline II helixtrans-66.4127.1165.5-158.30000107.6F287 V393 I422 I430 I432V8-F287 HydrophobicContact CB-CZ 4Å; V8-F287 HydrophobicContact CG1-CE1 4.34Å; V8-F287 HydrophobicContact CG1-CE2 4.39Å; V8-F287 HydrophobicContact CG1-CZ 3.52Å; V8-V393 HydrophobicContact CB-CG2 4.42Å; V8-V393 HydrophobicContact CG2-CG2 3.28Å; V8-I422 HydrophobicContact CG2-CD1 3.93Å; V8-I430 HydrophobicContact CG1-CG2 3.12Å; V8-I432 HydrophobicContact CG1-CG1 3.64Å
9R54.7Low64.7Low19 Ų1944.8 Ų44.87%0.07223%0.229CC..BIsolated β-bridgetrans-96.9149.5-175.2-49.9-177-179.8166.618.3112.2E4 E5 G7 Y94 F287 N431E4-R9 VanDerWaalsContact CD-NH1 3.34Å; E4-R9 VanDerWaalsContact CG-NH2 3.3Å; E4-R9 PolarHBondContact O-NH2 2.94Å; E4-R9 IonicContact OE2-CZ 3.44Å; E4-R9 IonicContact OE2-NH1 2.71Å; E4-R9 PolarHBondContact OE2-NH1 3.49Å; E4-R9 IonicContact OE2-NH2 3.34Å; E4-R9 PolarHBondContact OE2-NH2 2.94Å; E4-R9 VanDerWaalsContact OE2-NH2 3.16Å; E5-R9 PolarHBondContact O-NE 3Å; E5-R9 PolarHBondContact O-NH2 3.32Å; G7-R9 PolarHBondContact O-N 3.38Å; R9-Y94 HydrophobicContact CB-CD1 4.08Å; R9-Y94 HydrophobicContact CB-CE1 3.58Å; R9-Y94 HydrophobicContact CB-CE2 4.44Å; R9-Y94 VanDerWaalsContact CD-CE1 3.43Å; R9-Y94 WeakPolarHBondContact CD-OH 3.29Å; R9-Y94 HydrophobicContact CG-CE1 4.1Å; R9-F287 VanDerWaalsContact O-CE1 3.29Å; R9-F287 WeakPolarHBondContact O-CE1 3.47Å; R9-N431 HydrophobicContact CB-CB 4.01Å; R9-N431 PolarHBondContact N-O 3.16Å
10E54.2Low66.1Low30 Ų3043.4 Ų43.414%0.1422%0.223CC..PPolyproline II helixtrans-68.3151.6-168.8-63.2161.1177.100111.9H42 R43 Y94 F287E10-H42 VanDerWaalsContact CD-C 3.46Å; E10-H42 VanDerWaalsContact CG-O 3.24Å; E10-H42 WeakPolarHBondContact CG-O 3.48Å; E10-R43 WeakPolarHBondContact CB-O 3.41Å; E10-Y94 HydrophobicContact CB-CD2 4.02Å; E10-Y94 WeakPolarHBondContact O-CB 3.43Å; E10-Y94 VanDerWaalsContact O-CG 3.28Å; E10-F287 HydrophobicContact CB-CD1 4.39Å; E10-F287 HydrophobicContact CG-CD1 4.15Å; E10-F287 HydrophobicContact CG-CE1 4.47Å
11E67.5Low67.1Low2 Ų243.3 Ų43.31%0.00923%0.233CC..PPolyproline II helixtrans-95.1153.9172.2-76.9-54.2128.200112.3R43 T96 N122 G429 I430E11-R43 CarbonylContact C-O 3.56Å; E11-R43 CarbonylContact O-C 3.52Å; E11-R43 VanDerWaalsContact O-C 3.27Å; E11-R43 VanDerWaalsContact O-CA 3.26Å; E11-R43 WeakPolarHBondContact O-CA 3.42Å; E11-R43 WeakPolarHBondContact O-CB 3.23Å; E11-R43 WeakPolarHBondContact O-CG 3.49Å; E11-T96 VanDerWaalsContact CD-CG2 3.45Å; E11-T96 WeakPolarHBondContact OE1-CG2 3.26Å; E11-T96 WeakPolarHBondContact OE2-CG2 3.42Å; E11-N122 WeakPolarHBondContact CB-OD1 3.42Å; E11-G429 WeakPolarHBondContact CG-O 3Å; E11-G429 VanDerWaalsContact OE1-CA 3.24Å; E11-G429 WeakPolarHBondContact OE1-CA 3.32Å; E11-G429 WeakPolarHBondContact OE2-CA 3.2Å; E11-I430 VanDerWaalsContact OE1-CA 3.23Å; E11-I430 WeakPolarHBondContact OE1-CA 3.44Å; E11-I430 PolarHBondContact OE1-N 3.4Å
12C87.6Confident70.1Confident9 Ų940.6 Ų40.66%0.06122%0.217CC..PPolyproline II helixtrans-51.2149.5-178.2-58.70000115H91 T92 N122C12-H91 WeakPolarHBondContact CB-NE2 3.16Å; C12-H91 VanDerWaalsContact SG-CE1 3.54Å; C12-T92 CarbonylContact C-O 3.53Å; C12-T92 WeakPolarHBondContact CA-O 3.31Å; C12-T92 VanDerWaalsContact CB-O 3.25Å; C12-T92 WeakPolarHBondContact CB-O 3.4Å; C12-N122 PolarHBondContact O-ND2 3.46Å; C12-N122 PolarHBondContact O-OD1 2.88Å; C12-N122 VanDerWaalsContact O-OD1 3.07Å
13G93.4Very high73.3Confident0 Ų035 Ų350%019%0.189CC..EExtended strand (participates in β ladder)trans-102.5133.5171.200000110.5H91 T92G13-H91 CarbonylContact O-C 3.49Å; G13-H91 VanDerWaalsContact O-CA 3.25Å; G13-H91 WeakPolarHBondContact O-CA 3.46Å; G13-T92 WeakPolarHBondContact CA-OG1 3.42Å; G13-T92 PolarHBondContact N-O 2.93Å; G13-T92 PolarHBondContact N-OG1 3.38Å; G13-T92 PolarHBondContact O-N 2.82Å
14V97.3Very high76.2Confident0 Ų034.4 Ų34.40%019%0.192CC..EExtended strand (participates in β ladder)trans-109.3141.9168.4-64.60000109.9L40 A120 N122 L187 L206 S233 S234V14-L40 WeakPolarHBondContact O-CD1 3.31Å; V14-A120 HydrophobicContact CB-CB 4.48Å; V14-A120 HydrophobicContact CG1-CB 3.91Å; V14-N122 HydrophobicContact CG1-CB 4.07Å; V14-L187 HydrophobicContact CB-CD1 3.94Å; V14-L187 HydrophobicContact CB-CG 4.15Å; V14-L187 HydrophobicContact CG2-CD1 4.22Å; V14-L187 HydrophobicContact CG2-CG 4.14Å; V14-L206 HydrophobicContact CG2-CD1 3.85Å; V14-S233 WeakPolarHBondContact O-CA 3.24Å; V14-S234 WeakPolarHBondContact CG2-OG 3.44Å; V14-S234 PolarHBondContact N-OG 3.33Å; V14-S234 PolarHBondContact O-N 2.74Å
15F98.4Very high78.8Confident0 Ų030.9 Ų30.90%018%0.178CC..EExtended strand (participates in β ladder)trans-142.2135.8175.9-167.2-83.4000110.3C17 V32 I33 L37 L40 I89 G90 V231 V232 I242F15-C17 HydrophobicContact CE1-CB 4.28Å; F15-V32 HydrophobicContact CE1-CG1 4.46Å; F15-I33 HydrophobicContact CD1-CB 4.2Å; F15-I33 HydrophobicContact CD1-CG1 4.1Å; F15-I33 HydrophobicContact CD1-CG2 4.11Å; F15-I33 HydrophobicContact CE1-CG1 4.3Å; F15-L37 HydrophobicContact CB-CD2 3.62Å; F15-L37 HydrophobicContact CB-CG 4.21Å; F15-L40 HydrophobicContact CB-CD1 4.3Å; F15-L40 HydrophobicContact CD2-CD1 4.45Å; F15-I89 CarbonylContact O-C 3.35Å; F15-I89 WeakPolarHBondContact O-CA 3.17Å; F15-G90 PolarHBondContact N-O 3.45Å; F15-G90 PolarHBondContact O-N 3.29Å; F15-V231 HydrophobicContact CE1-CB 4.38Å; F15-V231 HydrophobicContact CE1-CG1 4.16Å; F15-V231 HydrophobicContact CZ-CB 3.82Å; F15-V231 HydrophobicContact CZ-CG1 3.83Å; F15-V232 CarbonylContact C-O 3.54Å; F15-V232 VanDerWaalsContact CA-O 3.27Å; F15-V232 WeakPolarHBondContact CA-O 3.34Å; F15-I242 HydrophobicContact CE1-CD1 4.4Å; F15-I242 HydrophobicContact CE2-CD1 4.01Å; F15-I242 HydrophobicContact CZ-CD1 3.4Å
16G98.1Very high81.1Confident1 Ų137.1 Ų37.11%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-132148.7177.500000110.8G88 V231 V232G16-G88 WeakPolarHBondContact CA-O 3.46Å; G16-V231 CarbonylContact O-C 3.54Å; G16-V231 WeakPolarHBondContact O-CA 3.41Å; G16-V232 PolarHBondContact N-O 2.91Å; G16-V232 PolarHBondContact O-N 3.08Å
17C97.7Very high83.3Confident0 Ų035.3 Ų35.30%020%0.198CC..EExtended strand (participates in β ladder)trans-141.7135.4176.4-178.30000109.7F15 V29 V32 I33 L87 G88 W230 V231F15-C17 HydrophobicContact CE1-CB 4.28Å; C17-V29 HydrophobicContact CB-CG1 4.13Å; C17-V32 HydrophobicContact CB-CG1 4.29Å; C17-I33 HydrophobicContact CB-CD1 4.15Å; C17-I33 HydrophobicContact CB-CG1 3.65Å; C17-L87 CarbonylContact O-C 3.55Å; C17-L87 VanDerWaalsContact O-CA 3.25Å; C17-L87 WeakPolarHBondContact O-CA 3.49Å; C17-G88 PolarHBondContact N-O 2.73Å; C17-G88 PolarHBondContact O-N 2.88Å; C17-W230 WeakPolarHBondContact CA-O 3.12Å; C17-V231 HydrophobicContact CB-CG1 4.15Å
18I97.3Very high85.5Confident1 Ų135.8 Ų35.81%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-136.2124.7172.7179.3164.2000109.3W23 L87 D192 I194 G229 W230 I258I18-W23 HydrophobicContact CD1-CH2 4.12Å; I18-W23 HydrophobicContact CD1-CZ2 4Å; I18-W23 HydrophobicContact CG1-CH2 4.37Å; I18-W23 HydrophobicContact CG1-CZ2 3.81Å; I18-L87 HydrophobicContact CB-CB 3.93Å; I18-L87 HydrophobicContact CD1-CB 4.24Å; I18-L87 HydrophobicContact CD1-CD1 4.17Å; I18-L87 HydrophobicContact CG1-CB 3.88Å; I18-D192 VanDerWaalsContact CD1-O 3.29Å; I18-D192 WeakPolarHBondContact CD1-O 3.34Å; I18-I194 HydrophobicContact CB-CD1 4.19Å; I18-G229 CarbonylContact O-C 3.6Å; I18-G229 WeakPolarHBondContact O-CA 3.42Å; I18-W230 HydrophobicContact CG2-CB 3.89Å; I18-W230 PolarHBondContact N-O 3.15Å; I18-W230 PolarHBondContact O-N 3.39Å; I18-I258 HydrophobicContact CG2-CB 4.39Å; I18-I258 HydrophobicContact CG2-CG2 3.43Å; I18-I258 VanDerWaalsContact CG2-CG2 3.43Å
19A95.4Very high87.8Confident0 Ų035.5 Ų35.50%019%0.191CC..EExtended strand (participates in β ladder)trans-72.9138.6178.300000111W23 T25 L27 V29 N86 R260A19-W23 PolarHBondContact O-NE1 2.74Å; A19-T25 HydrophobicContact CB-CG2 3.6Å; A19-T25 WeakPolarHBondContact CB-OG1 3.5Å; A19-L27 HydrophobicContact CB-CB 4.26Å; A19-L27 HydrophobicContact CB-CD2 3.98Å; A19-V29 HydrophobicContact CB-CG2 4.33Å; A19-N86 WeakPolarHBondContact CB-O 3.41Å; A19-N86 PolarHBondContact N-O 3.47Å; A19-R260 WeakPolarHBondContact O-CB 3.42Å
20S92.8Very high89.7Confident17 Ų1734.6 Ų34.612%0.11919%0.188CC..  trans-89.8161.9173.5-78.20000111.4T227 E228 R260S20-T227 VanDerWaalsContact CB-O 3.23Å; S20-T227 WeakPolarHBondContact CB-O 3.23Å; S20-E228 PolarHBondContact N-O 2.89Å; S20-R260 VanDerWaalsContact CA-O 3.3Å; S20-R260 WeakPolarHBondContact CA-O 3.27Å; S20-R260 WeakPolarHBondContact CB-O 3.28Å; S20-R260 PolarHBondContact OG-O 3.09Å; S20-R260 VanDerWaalsContact OG-O 3.08Å
21G86.9Confident91.6Very high41 Ų4137.2 Ų37.242%0.42320%0.2SC..SBendtrans86.1-148.217700000114.2R260G21-R260 PolarHBondContact O-NH1 2.92Å
22E87.6Confident93Very high173 Ų17338 Ų3881%0.80821%0.205SC*.SBendtrans-79.7141.5-177.9-66.4-168.7167.100111.8
23W91.5Very high93.4Very high49 Ų4937.6 Ų37.619%0.18620%0.202CC..SBendtrans-112.7140.8178-69.9-2.6000109.3I18 A19 N86 L87 D192 R260I18-W23 HydrophobicContact CD1-CH2 4.12Å; I18-W23 HydrophobicContact CD1-CZ2 4Å; I18-W23 HydrophobicContact CG1-CH2 4.37Å; I18-W23 HydrophobicContact CG1-CZ2 3.81Å; A19-W23 PolarHBondContact O-NE1 2.74Å; W23-N86 HydrophobicContact CD2-CB 3.39Å; W23-N86 VanDerWaalsContact CD2-CG 3.49Å; W23-N86 VanDerWaalsContact CE2-CB 3.43Å; W23-N86 HydrophobicContact CE3-CB 3.76Å; W23-N86 HydrophobicContact CG-CB 3.78Å; W23-N86 HydrophobicContact CH2-CB 4.16Å; W23-N86 HydrophobicContact CZ2-CB 3.8Å; W23-N86 HydrophobicContact CZ3-CB 4.14Å; W23-L87 HydrophobicContact CH2-CD2 3.91Å; W23-L87 HydrophobicContact CZ3-CD2 4.24Å; W23-D192 HydrophobicContact CH2-CB 3.92Å; W23-D192 HydrophobicContact CZ3-CB 3.66Å; W23-R260 HydrophobicContact CH2-CB 4.36Å; W23-R260 HydrophobicContact CZ2-CB 3.57Å; W23-R260 HydrophobicContact CZ2-CG 4.43Å
24P89.1Confident93.6Very high109 Ų10938 Ų3871%0.70820%0.204SC*.SBendcis-70.9135.95.629.4-35.1000113.3N86P24-N86 WeakPolarHBondContact CA-OD1 3.31Å
25T88.9Confident93.5Very high31 Ų3141 Ų4119%0.1922%0.22CC..  trans-73.4158-179.6-170.70000112A19 L27 V29 N86A19-T25 HydrophobicContact CB-CG2 3.6Å; A19-T25 WeakPolarHBondContact CB-OG1 3.5Å; T25-L27 HydrophobicContact CG2-CB 4.04Å; T25-L27 WeakPolarHBondContact CG2-O 3.12Å; T25-L27 WeakPolarHBondContact OG1-CB 3.36Å; T25-L27 PolarHBondContact OG1-N 2.93Å; T25-L27 VanDerWaalsContact OG1-N 3.07Å; T25-V29 HydrophobicContact CG2-CG2 4.34Å; T25-N86 WeakPolarHBondContact CG2-OD1 3.21Å; T25-N86 PolarHBondContact N-OD1 3.5Å
26Q87.8Confident93.4Very high186 Ų18641 Ų4187%0.86922%0.22SC*.SBendtrans-88.9-9166.1-60.1-58.5-48.300112.4D28Q26-D28 PolarHBondContact O-N 3.5Å
27L89.8Confident93.3Very high35 Ų3541 Ų4118%0.18322%0.22CC..SBendtrans-69.3125.4178-175.466.4000110.4A19 T25 V29 V32 L211A19-L27 HydrophobicContact CB-CB 4.26Å; A19-L27 HydrophobicContact CB-CD2 3.98Å; T25-L27 HydrophobicContact CG2-CB 4.04Å; T25-L27 WeakPolarHBondContact CG2-O 3.12Å; T25-L27 WeakPolarHBondContact OG1-CB 3.36Å; T25-L27 PolarHBondContact OG1-N 2.93Å; T25-L27 VanDerWaalsContact OG1-N 3.07Å; L27-V29 HydrophobicContact CB-CG2 4.47Å; L27-V29 HydrophobicContact CD2-CG2 4.14Å; L27-V29 HydrophobicContact CG-CG2 4.25Å; L27-V29 PolarHBondContact O-N 2.94Å; L27-V32 HydrophobicContact CD1-CG2 4.03Å; L27-V32 HydrophobicContact CG-CG2 4.38Å; L27-L211 HydrophobicContact CD2-CD1 3.91Å
28D92.3Very high93.2Very high42 Ų4243.6 Ų43.623%0.22524%0.235CC..  trans-75.476173.2-169.8-18.2000110.5Q26 P30 H31 V32 Y83Q26-D28 PolarHBondContact O-N 3.5Å; D28-P30 WeakPolarHBondContact OD1-CD 3.36Å; D28-H31 HydrophobicContact CB-CB 4.04Å; D28-H31 PolarHBondContact O-N 3.06Å; D28-H31 VanDerWaalsContact O-N 3.13Å; D28-H31 VanDerWaalsContact OD1-CB 3.32Å; D28-H31 WeakPolarHBondContact OD1-CB 3.32Å; D28-H31 PolarHBondContact OD1-N 3.38Å; D28-H31 VanDerWaalsContact OD1-N 3.1Å; D28-H31 WeakPolarHBondContact OD2-CB 3.35Å; D28-V32 WeakPolarHBondContact O-CG2 3.26Å; D28-V32 PolarHBondContact O-N 3.17Å; D28-Y83 WeakPolarHBondContact OD2-CE2 3.4Å; D28-Y83 PolarHBondContact OD2-OH 2.92Å
29V95.1Very high93.1Very high0 Ų043.7 Ų43.70%024%0.237CC..Hα-helixtrans-53.9-46.2-178.4172.50000112.6C17 A19 T25 L27 H31 V32 I33C17-V29 HydrophobicContact CB-CG1 4.13Å; A19-V29 HydrophobicContact CB-CG2 4.33Å; T25-V29 HydrophobicContact CG2-CG2 4.34Å; L27-V29 HydrophobicContact CB-CG2 4.47Å; L27-V29 HydrophobicContact CD2-CG2 4.14Å; L27-V29 HydrophobicContact CG-CG2 4.25Å; L27-V29 PolarHBondContact O-N 2.94Å; V29-H31 VanDerWaalsContact C-N 3.31Å; V29-H31 PolarHBondContact O-N 3.28Å; V29-V32 PolarHBondContact O-N 3.11Å; V29-I33 HydrophobicContact CG1-CD1 3.76Å; V29-I33 HydrophobicContact CG1-CG1 4.4Å; V29-I33 VanDerWaalsContact O-CG1 3.3Å; V29-I33 WeakPolarHBondContact O-CG1 3.33Å; V29-I33 PolarHBondContact O-N 3.38Å
30P95.3Very high93Very high1 Ų143.7 Ų43.71%0.00624%0.237CC..Hα-helixtrans-58.3-41176.2-21.930.9000113.2D28 T34 T52 L79 L82 S85D28-P30 WeakPolarHBondContact OD1-CD 3.36Å; P30-T34 WeakPolarHBondContact O-CB 3.17Å; P30-T34 PolarHBondContact O-N 3.42Å; P30-T34 PolarHBondContact O-OG1 2.89Å; P30-T52 HydrophobicContact CG-CG2 4.13Å; P30-L79 HydrophobicContact CB-CD2 4.2Å; P30-L82 HydrophobicContact CB-CB 3.83Å; P30-L82 HydrophobicContact CB-CD1 4.37Å; P30-L82 HydrophobicContact CG-CB 3.76Å; P30-L82 WeakPolarHBondContact CG-O 3.26Å; P30-S85 WeakPolarHBondContact CD-OG 3.48Å
31H94.3Very high93Very high84 Ų8444.4 Ų44.439%0.38924%0.239SC..Hα-helixtrans-71-40.9179.6-160.590.1000111.9D28 V29 I33 T34 L35D28-H31 HydrophobicContact CB-CB 4.04Å; D28-H31 PolarHBondContact O-N 3.06Å; D28-H31 VanDerWaalsContact O-N 3.13Å; D28-H31 VanDerWaalsContact OD1-CB 3.32Å; D28-H31 WeakPolarHBondContact OD1-CB 3.32Å; D28-H31 PolarHBondContact OD1-N 3.38Å; D28-H31 VanDerWaalsContact OD1-N 3.1Å; D28-H31 WeakPolarHBondContact OD2-CB 3.35Å; V29-H31 VanDerWaalsContact C-N 3.31Å; V29-H31 PolarHBondContact O-N 3.28Å; H31-I33 VanDerWaalsContact C-N 3.34Å; H31-I33 PolarHBondContact O-N 3.47Å; H31-T34 WeakPolarHBondContact O-CB 3.39Å; H31-T34 PolarHBondContact O-N 3.1Å; H31-T34 VanDerWaalsContact O-N 3.15Å; H31-L35 WeakPolarHBondContact O-CG 3.45Å; H31-L35 PolarHBondContact O-N 2.87Å
32V95.6Very high93.2Very high19 Ų1944.2 Ų44.212%0.11523%0.227CC..Hα-helixtrans-57.4-47.3173.3171.80000111F15 C17 L27 D28 V29 T34 L35 G36 L211 V231 I242F15-V32 HydrophobicContact CE1-CG1 4.46Å; C17-V32 HydrophobicContact CB-CG1 4.29Å; L27-V32 HydrophobicContact CD1-CG2 4.03Å; L27-V32 HydrophobicContact CG-CG2 4.38Å; D28-V32 WeakPolarHBondContact O-CG2 3.26Å; D28-V32 PolarHBondContact O-N 3.17Å; V29-V32 PolarHBondContact O-N 3.11Å; V32-T34 VanDerWaalsContact C-N 3.3Å; V32-T34 PolarHBondContact O-N 2.91Å; V32-L35 PolarHBondContact O-N 3.49Å; V32-G36 PolarHBondContact O-N 2.93Å; V32-L211 HydrophobicContact CG1-CD1 4.15Å; V32-L211 HydrophobicContact CG1-CD2 4.49Å; V32-V231 HydrophobicContact CG1-CG1 4.42Å; V32-I242 HydrophobicContact CG1-CB 4.36Å; V32-I242 HydrophobicContact CG1-CD1 4.06Å; V32-I242 HydrophobicContact CG1-CG2 4.35Å
33I96.9Very high93.3Very high0 Ų036.1 Ų36.10%019%0.188CC..Hα-helixtrans-61.9-41.8177.1-65.1166.2000110.4F15 C17 V29 H31 G36 L37 I50 G88F15-I33 HydrophobicContact CD1-CB 4.2Å; F15-I33 HydrophobicContact CD1-CG1 4.1Å; F15-I33 HydrophobicContact CD1-CG2 4.11Å; F15-I33 HydrophobicContact CE1-CG1 4.3Å; C17-I33 HydrophobicContact CB-CD1 4.15Å; C17-I33 HydrophobicContact CB-CG1 3.65Å; V29-I33 HydrophobicContact CG1-CD1 3.76Å; V29-I33 HydrophobicContact CG1-CG1 4.4Å; V29-I33 VanDerWaalsContact O-CG1 3.3Å; V29-I33 WeakPolarHBondContact O-CG1 3.33Å; V29-I33 PolarHBondContact O-N 3.38Å; H31-I33 VanDerWaalsContact C-N 3.34Å; H31-I33 PolarHBondContact O-N 3.47Å; I33-G36 PolarHBondContact O-N 3.34Å; I33-L37 HydrophobicContact CG2-CD1 4.1Å; I33-L37 HydrophobicContact CG2-CG 4.22Å; I33-L37 WeakPolarHBondContact O-CB 3.5Å; I33-L37 VanDerWaalsContact O-CG 3.31Å; I33-L37 WeakPolarHBondContact O-CG 3.5Å; I33-L37 PolarHBondContact O-N 3.34Å; I33-I50 HydrophobicContact CB-CD1 4.2Å; I33-I50 HydrophobicContact CD1-CG2 4.29Å; I33-I50 HydrophobicContact CG2-CD1 3.74Å; I33-I50 HydrophobicContact CG2-CG1 3.72Å; I33-I50 HydrophobicContact CG2-CG2 4.24Å; I33-G88 WeakPolarHBondContact CD1-O 3.39Å
34T96.6Very high93.1Very high8 Ų833.8 Ų33.85%0.04918%0.18CC..Hα-helixtrans-60.8-48.8179.1-58.70000111.4P30 H31 V32 G36 L37 V38 I50 V70 F74 L79P30-T34 WeakPolarHBondContact O-CB 3.17Å; P30-T34 PolarHBondContact O-N 3.42Å; P30-T34 PolarHBondContact O-OG1 2.89Å; H31-T34 WeakPolarHBondContact O-CB 3.39Å; H31-T34 PolarHBondContact O-N 3.1Å; H31-T34 VanDerWaalsContact O-N 3.15Å; V32-T34 VanDerWaalsContact C-N 3.3Å; V32-T34 PolarHBondContact O-N 2.91Å; T34-G36 VanDerWaalsContact C-N 3.33Å; T34-G36 PolarHBondContact O-N 3.24Å; T34-L37 PolarHBondContact O-N 2.85Å; T34-V38 WeakPolarHBondContact O-CG2 3.3Å; T34-V38 PolarHBondContact O-N 3.43Å; T34-I50 VanDerWaalsContact OG1-CD1 3.28Å; T34-I50 WeakPolarHBondContact OG1-CD1 3.43Å; T34-V70 HydrophobicContact CG2-CG1 3.87Å; T34-F74 HydrophobicContact CG2-CB 3.91Å; T34-F74 HydrophobicContact CG2-CD2 4.44Å; T34-F74 HydrophobicContact CG2-CG 4.39Å; T34-L79 WeakPolarHBondContact OG1-CD2 3.41Å
35L95.8Very high93Very high65 Ų6531.7 Ų31.734%0.3416%0.161SC..Hα-helixtrans-63-38.7176.1-68.1178.1000112.3H31 V32 V38 G39 I242H31-L35 WeakPolarHBondContact O-CG 3.45Å; H31-L35 PolarHBondContact O-N 2.87Å; V32-L35 PolarHBondContact O-N 3.49Å; L35-V38 PolarHBondContact O-N 2.95Å; L35-G39 PolarHBondContact O-N 2.91Å; L35-I242 HydrophobicContact CB-CG2 3.54Å; L35-I242 HydrophobicContact CD1-CG2 4.34Å
36G96.6Very high92.9Very high0 Ų031 Ų310%016%0.155CC..Hα-helixtrans-58.8-47.7172.900000112.2V32 I33 T34 G39 L40V32-G36 PolarHBondContact O-N 2.93Å; I33-G36 PolarHBondContact O-N 3.34Å; T34-G36 VanDerWaalsContact C-N 3.33Å; T34-G36 PolarHBondContact O-N 3.24Å; G36-G39 WeakPolarHBondContact O-CA 3.45Å; G36-G39 PolarHBondContact O-N 2.88Å; G36-G39 VanDerWaalsContact O-N 3.09Å; G36-L40 PolarHBondContact O-N 3.14Å
37L96.6Very high93.1Very high0 Ų022.2 Ų22.20%011%0.114CC..Hα-helixtrans-66-35.1176.8-68.8179.9000113F15 I33 T34 G39 L40 Q41 I50 V70 T92F15-L37 HydrophobicContact CB-CD2 3.62Å; F15-L37 HydrophobicContact CB-CG 4.21Å; I33-L37 HydrophobicContact CG2-CD1 4.1Å; I33-L37 HydrophobicContact CG2-CG 4.22Å; I33-L37 WeakPolarHBondContact O-CB 3.5Å; I33-L37 VanDerWaalsContact O-CG 3.31Å; I33-L37 WeakPolarHBondContact O-CG 3.5Å; I33-L37 PolarHBondContact O-N 3.34Å; T34-L37 PolarHBondContact O-N 2.85Å; L37-G39 PolarHBondContact O-N 2.92Å; L37-L40 CarbonylContact O-C 3.45Å; L37-L40 VanDerWaalsContact O-C 3.25Å; L37-L40 WeakPolarHBondContact O-CA 3.27Å; L37-L40 PolarHBondContact O-N 3.08Å; L37-Q41 PolarHBondContact O-N 2.98Å; L37-I50 HydrophobicContact CD1-CD1 4.2Å; L37-I50 HydrophobicContact CD1-CG1 3.87Å; L37-V70 HydrophobicContact CB-CG1 4.06Å; L37-V70 HydrophobicContact CB-CG2 3.9Å; L37-T92 HydrophobicContact CB-CG2 4.08Å; L37-T92 HydrophobicContact CD2-CG2 4.18Å
38V95.4Very high93.4Very high54 Ų5420.5 Ų20.533%0.32711%0.105SC..Hα-helixtrans-59.7-40.1170.3171.50000110.4T34 L35 L40 Q41 V70 N71T34-V38 WeakPolarHBondContact O-CG2 3.3Å; T34-V38 PolarHBondContact O-N 3.43Å; L35-V38 PolarHBondContact O-N 2.95Å; V38-L40 PolarHBondContact O-N 3.12Å; V38-Q41 VanDerWaalsContact O-CB 3.27Å; V38-Q41 WeakPolarHBondContact O-CB 3.43Å; V38-Q41 PolarHBondContact O-N 2.77Å; V38-Q41 VanDerWaalsContact O-N 3.13Å; V38-V70 HydrophobicContact CG2-CB 4.09Å; V38-V70 HydrophobicContact CG2-CG1 3.74Å; V38-N71 WeakPolarHBondContact CG2-OD1 3.35Å
39G94.2Very high93.6Very high4 Ų418.5 Ų18.54%0.04110%0.095CC..Hα-helixtrans-62.3-22.1173.400000114.4L35 G36 L37 H42 R289L35-G39 PolarHBondContact O-N 2.91Å; G36-G39 WeakPolarHBondContact O-CA 3.45Å; G36-G39 PolarHBondContact O-N 2.88Å; G36-G39 VanDerWaalsContact O-N 3.09Å; L37-G39 PolarHBondContact O-N 2.92Å; G39-H42 PolarHBondContact O-CE1 3.11Å; G39-H42 PolarHBondContact O-ND1 2.78Å; G39-R289 PolarHBondContact O-NH1 2.65Å
40L95.1Very high93.7Very high0 Ų018.5 Ų18.50%010%0.095CC..THydrogen-bonded Turntrans-106.517.2176.2-56.8179.9000112.7V14 F15 G36 L37 V38 H42 R43 T92 E235V14-L40 WeakPolarHBondContact O-CD1 3.31Å; F15-L40 HydrophobicContact CB-CD1 4.3Å; F15-L40 HydrophobicContact CD2-CD1 4.45Å; G36-L40 PolarHBondContact O-N 3.14Å; L37-L40 CarbonylContact O-C 3.45Å; L37-L40 VanDerWaalsContact O-C 3.25Å; L37-L40 WeakPolarHBondContact O-CA 3.27Å; L37-L40 PolarHBondContact O-N 3.08Å; V38-L40 PolarHBondContact O-N 3.12Å; L40-H42 PolarHBondContact O-N 2.78Å; L40-R43 VanDerWaalsContact O-CB 3.3Å; L40-R43 WeakPolarHBondContact O-CB 2.92Å; L40-R43 PolarHBondContact O-N 3.22Å; L40-T92 PolarHBondContact O-OG1 2.82Å; L40-E235 HydrophobicContact CD2-CB 3.73Å; L40-E235 HydrophobicContact CD2-CG 4.47Å
41Q92.6Very high93.7Very high32 Ų3218.5 Ų18.515%0.159%0.094CC..G310 helixtrans-64.5-24.6-175.7-172.871.485.300112.5L37 V38 R43 G44 Q45 L69 V70L37-Q41 PolarHBondContact O-N 2.98Å; V38-Q41 VanDerWaalsContact O-CB 3.27Å; V38-Q41 WeakPolarHBondContact O-CB 3.43Å; V38-Q41 PolarHBondContact O-N 2.77Å; V38-Q41 VanDerWaalsContact O-N 3.13Å; Q41-R43 PolarHBondContact O-N 3Å; Q41-G44 PolarHBondContact NE2-O 3.06Å; Q41-G44 CarbonylContact O-C 3.51Å; Q41-G44 PolarHBondContact O-N 3.2Å; Q41-G44 VanDerWaalsContact O-O 3.11Å; Q41-Q45 HydrophobicContact CG-CG 4.45Å; Q41-Q45 VanDerWaalsContact O-CG 3.32Å; Q41-Q45 WeakPolarHBondContact O-CG 3.45Å; Q41-L69 HydrophobicContact CG-CD2 4.17Å; Q41-V70 VanDerWaalsContact OE1-CG2 3.24Å
42H89.4Confident93.8Very high37 Ų3714.5 Ų14.517%0.1718%0.076CC..G310 helixtrans-74.67.3171.370.7-76.5000113.7E10 G39 L40 E235 F287E10-H42 VanDerWaalsContact CD-C 3.46Å; E10-H42 VanDerWaalsContact CG-O 3.24Å; E10-H42 WeakPolarHBondContact CG-O 3.48Å; G39-H42 PolarHBondContact O-CE1 3.11Å; G39-H42 PolarHBondContact O-ND1 2.78Å; L40-H42 PolarHBondContact O-N 2.78Å; H42-E235 IonicContact CD2-OE1 3.24Å; H42-E235 IonicContact CE1-OE1 2.73Å; H42-E235 PolarHBondContact CE1-OE1 3.38Å; H42-E235 IonicContact NE2-OE1 3.15Å; H42-E235 PolarHBondContact NE2-OE1 2.74Å; H42-E235 IonicContact NE2-OE2 3.51Å; H42-F287 PolarHBondContact CD2-O 3.04Å
43R90.4Very high93.8Very high2 Ų213.6 Ų13.61%0.0087%0.07CC..G310 helixtrans-101.7-25169.6-80.6-161.8-179.9-88.4-14.9112.1E10 E11 L40 Q41 E235 E283E10-R43 WeakPolarHBondContact CB-O 3.41Å; E11-R43 CarbonylContact C-O 3.56Å; E11-R43 CarbonylContact O-C 3.52Å; E11-R43 VanDerWaalsContact O-C 3.27Å; E11-R43 VanDerWaalsContact O-CA 3.26Å; E11-R43 WeakPolarHBondContact O-CA 3.42Å; E11-R43 WeakPolarHBondContact O-CB 3.23Å; E11-R43 WeakPolarHBondContact O-CG 3.49Å; L40-R43 VanDerWaalsContact O-CB 3.3Å; L40-R43 WeakPolarHBondContact O-CB 2.92Å; L40-R43 PolarHBondContact O-N 3.22Å; Q41-R43 PolarHBondContact O-N 3Å; R43-E235 IonicContact CZ-OE1 2.94Å; R43-E235 IonicContact NE-OE1 2.65Å; R43-E235 PolarHBondContact NE-OE1 2.64Å; R43-E235 VanDerWaalsContact NH2-CG 3.29Å; R43-E235 IonicContact NH2-OE1 3.82Å; R43-E235 PolarHBondContact NH2-OE1 2.7Å; R43-E235 IonicContact NH2-OE2 3.64Å; R43-E283 IonicContact CZ-OE1 3.11Å; R43-E283 IonicContact CZ-OE2 2.73Å; R43-E283 IonicContact NH1-OE1 3.84Å; R43-E283 PolarHBondContact NH1-OE1 3.15Å; R43-E283 IonicContact NH1-OE2 3.4Å; R43-E283 PolarHBondContact NH1-OE2 3.16Å; R43-E283 IonicContact NH2-OE1 3.94Å; R43-E283 IonicContact NH2-OE2 3.16Å; R43-E283 PolarHBondContact NH2-OE2 3.38Å
44G88Confident93.5Very high0 Ų015.4 Ų15.40%08%0.08CC..  trans-167.1129-177.300000111.3Q41 R93Q41-G44 PolarHBondContact NE2-O 3.06Å; Q41-G44 CarbonylContact O-C 3.51Å; Q41-G44 PolarHBondContact O-N 3.2Å; Q41-G44 VanDerWaalsContact O-O 3.11Å; G44-R93 CarbonylContact C-O 3.57Å; G44-R93 WeakPolarHBondContact CA-O 3.26Å
45Q87.4Confident93Very high66 Ų6615.6 Ų15.631%0.3088%0.084SC..SBendtrans-123.87.1-178.7-56.7170.91400112.6Q41 G68 L69 R93Q41-Q45 HydrophobicContact CG-CG 4.45Å; Q41-Q45 VanDerWaalsContact O-CG 3.32Å; Q41-Q45 WeakPolarHBondContact O-CG 3.45Å; Q45-G68 CarbonylContact O-C 3.56Å; Q45-L69 HydrophobicContact CB-CD2 3.64Å; Q45-L69 HydrophobicContact CG-CD2 3.89Å; Q45-R93 PolarHBondContact N-O 3.18Å
46E86.3Confident92.3Very high16 Ų1614.7 Ų14.78%0.0758%0.083CC..SBendtrans-93.8-36.7-173.7-60.9-166165.300113.1M67 G68 R93 Y94 A95 R355E46-M67 WeakPolarHBondContact O-CE 3.42Å; E46-G68 PolarHBondContact O-N 3.12Å; E46-R93 WeakPolarHBondContact CB-O 3.39Å; E46-R93 PolarHBondContact N-O 3.32Å; E46-R93 VanDerWaalsContact N-O 3.07Å; E46-R93 IonicContact OE2-NH1 3.58Å; E46-Y94 WeakPolarHBondContact OE1-CE1 3.22Å; E46-A95 WeakPolarHBondContact OE2-CA 3.22Å; E46-A95 WeakPolarHBondContact OE2-CB 3.31Å; E46-A95 PolarHBondContact OE2-N 3.03Å; E46-R355 VanDerWaalsContact CG-NH2 3.33Å; E46-R355 IonicContact OE1-CZ 3.56Å; E46-R355 IonicContact OE1-NH1 2.72Å; E46-R355 PolarHBondContact OE1-NH1 3.02Å; E46-R355 VanDerWaalsContact OE1-NH1 3.11Å; E46-R355 IonicContact OE1-NH2 3.57Å
47S91.2Very high91.1Very high1 Ų120.1 Ų20.11%0.00712%0.121CC..EExtended strand (participates in β ladder)trans-155.8162172.267.70000111.5G66 R93 C105S47-G66 VanDerWaalsContact CA-O 3.31Å; S47-G66 WeakPolarHBondContact CA-O 3.4Å; S47-G66 VanDerWaalsContact CB-O 3.23Å; S47-G66 WeakPolarHBondContact CB-O 3.49Å; S47-R93 PolarHBondContact O-N 3.02Å; S47-R93 WeakPolarHBondContact OG-CB 3.24Å; S47-C105 WeakPolarHBondContact CB-SG 3.49Å; S47-C105 PolarHBondContact OG-SG 2.71Å
48A95.4Very high89.9Confident0 Ų026 Ų260%016%0.157CC..EExtended strand (participates in β ladder)trans-139.8153174.100000110.4K65 G66 V70 V73 F74 H91A48-K65 WeakPolarHBondContact O-CA 3.29Å; A48-G66 PolarHBondContact N-O 3.18Å; A48-G66 PolarHBondContact O-N 3.09Å; A48-V70 HydrophobicContact CB-CG2 3.89Å; A48-V73 HydrophobicContact CB-CB 4.45Å; A48-V73 HydrophobicContact CB-CG2 4.32Å; A48-F74 HydrophobicContact CB-CE2 3.76Å; A48-H91 VanDerWaalsContact CA-O 3.26Å; A48-H91 WeakPolarHBondContact CA-O 3.39Å
49G96.5Very high88.7Confident0 Ų024.3 Ų24.30%015%0.147CC..EExtended strand (participates in β ladder)trans-155147.9179.600000112.2H64 G90 H91 Q106G49-H64 WeakPolarHBondContact CA-O 3.25Å; G49-G90 CarbonylContact O-C 3.57Å; G49-G90 WeakPolarHBondContact O-CA 3.24Å; G49-H91 PolarHBondContact N-O 2.84Å; G49-H91 PolarHBondContact O-N 2.99Å; G49-Q106 VanDerWaalsContact CA-O 3.28Å; G49-Q106 WeakPolarHBondContact CA-O 3.37Å
50I97.6Very high88.2Confident0 Ų027.8 Ų27.80%017%0.167CC..EExtended strand (participates in β ladder)trans-133.9136.9175.8-65.1173000108.1I33 T34 L37 T52 S63 H64 F74 L82 I89I33-I50 HydrophobicContact CB-CD1 4.2Å; I33-I50 HydrophobicContact CD1-CG2 4.29Å; I33-I50 HydrophobicContact CG2-CD1 3.74Å; I33-I50 HydrophobicContact CG2-CG1 3.72Å; I33-I50 HydrophobicContact CG2-CG2 4.24Å; T34-I50 VanDerWaalsContact OG1-CD1 3.28Å; T34-I50 WeakPolarHBondContact OG1-CD1 3.43Å; L37-I50 HydrophobicContact CD1-CD1 4.2Å; L37-I50 HydrophobicContact CD1-CG1 3.87Å; I50-T52 HydrophobicContact CG2-CG2 3.67Å; I50-S63 WeakPolarHBondContact O-CA 3.48Å; I50-H64 PolarHBondContact N-O 2.89Å; I50-H64 PolarHBondContact O-N 3.36Å; I50-F74 HydrophobicContact CB-CE1 3.8Å; I50-F74 HydrophobicContact CB-CZ 3.88Å; I50-F74 HydrophobicContact CD1-CD1 3.92Å; I50-F74 HydrophobicContact CD1-CD2 4.21Å; I50-F74 HydrophobicContact CD1-CE1 3.62Å; I50-F74 HydrophobicContact CD1-CE2 3.92Å; I50-F74 HydrophobicContact CD1-CG 4.21Å; I50-F74 HydrophobicContact CD1-CZ 3.64Å; I50-F74 HydrophobicContact CG1-CD1 4.48Å; I50-F74 HydrophobicContact CG1-CE1 3.69Å; I50-F74 HydrophobicContact CG1-CE2 3.98Å; I50-F74 HydrophobicContact CG1-CZ 3.41Å; I50-F74 VanDerWaalsContact CG1-CZ 3.41Å; I50-L82 HydrophobicContact CB-CD1 3.98Å; I50-L82 HydrophobicContact CG2-CD1 3.87Å; I50-I89 WeakPolarHBondContact CA-O 3.36Å
51V96.8Very high88Confident0 Ų029 Ų290%017%0.172CC..EExtended strand (participates in β ladder)trans-123128168-176.10000108.2F61 K62 G88 I89 P107 V109 A118 M189V51-F61 HydrophobicContact CG1-CB 4.28Å; V51-F61 HydrophobicContact CG1-CD2 3.8Å; V51-F61 HydrophobicContact CG1-CG 4.31Å; V51-K62 CarbonylContact C-O 3.59Å; V51-K62 VanDerWaalsContact CA-O 3.28Å; V51-K62 WeakPolarHBondContact CA-O 3.42Å; V51-G88 CarbonylContact O-C 3.58Å; V51-G88 WeakPolarHBondContact O-CA 3.39Å; V51-I89 PolarHBondContact N-O 3.26Å; V51-I89 PolarHBondContact O-N 3.47Å; V51-P107 HydrophobicContact CB-CB 4.45Å; V51-P107 HydrophobicContact CB-CG 4.37Å; V51-P107 HydrophobicContact CG2-CB 3.8Å; V51-P107 HydrophobicContact CG2-CG 3.9Å; V51-V109 HydrophobicContact CB-CG2 4.41Å; V51-V109 HydrophobicContact CG1-CG2 3.86Å; V51-V109 HydrophobicContact CG2-CG2 3.7Å; V51-A118 HydrophobicContact CB-CB 4.25Å; V51-A118 HydrophobicContact CG1-CB 3.97Å; V51-M189 HydrophobicContact CB-CE 4.4Å; V51-M189 HydrophobicContact CG1-CE 3.79Å
52T96.3Very high88.1Confident0 Ų030.8 Ų30.80%018%0.18CC..EExtended strand (participates in β ladder)trans-121.4157.2178.167.20000111.7P30 I50 F61 K62 L82 L87P30-T52 HydrophobicContact CG-CG2 4.13Å; I50-T52 HydrophobicContact CG2-CG2 3.67Å; T52-F61 WeakPolarHBondContact O-CA 3.39Å; T52-K62 PolarHBondContact N-O 2.89Å; T52-K62 PolarHBondContact O-N 3.22Å; T52-L82 HydrophobicContact CG2-CB 4.25Å; T52-L82 PolarHBondContact OG1-O 2.93Å; T52-L87 WeakPolarHBondContact CA-O 3.19Å
53S94.4Very high88.3Confident0 Ų032.6 Ų32.60%020%0.196CC..EExtended strand (participates in β ladder)trans-139.2151.7177.4-175.60000111.6G55 P59 T60 S85 N86 L87S53-G55 VanDerWaalsContact C-N 3.29Å; S53-G55 PolarHBondContact OG-N 3.02Å; S53-G55 VanDerWaalsContact OG-N 3.11Å; S53-P59 WeakPolarHBondContact OG-CB 3.2Å; S53-T60 WeakPolarHBondContact CA-O 3.48Å; S53-S85 CarbonylContact O-C 3.55Å; S53-S85 WeakPolarHBondContact O-CA 3.35Å; S53-S85 VanDerWaalsContact O-CB 3.31Å; S53-S85 WeakPolarHBondContact O-CB 3.48Å; S53-N86 PolarHBondContact O-N 2.98Å; S53-L87 PolarHBondContact N-O 2.83Å; S53-L87 WeakPolarHBondContact O-CD2 3.37Å; S53-L87 PolarHBondContact O-N 3.18Å
54D90.4Very high88.5Confident38 Ų3834.1 Ų34.120%0.20320%0.204CC..  trans-77.8-11.6168.463.6-22.8000113S56 P59 T60 N86D54-S56 VanDerWaalsContact CG-OG 3.25Å; D54-S56 PolarHBondContact O-N 3.3Å; D54-S56 PolarHBondContact OD1-OG 3.37Å; D54-S56 WeakPolarHBondContact OD2-CB 3.43Å; D54-S56 PolarHBondContact OD2-OG 3.06Å; D54-P59 WeakPolarHBondContact OD1-CA 3.29Å; D54-T60 PolarHBondContact OD1-N 2.74Å; D54-N86 PolarHBondContact O-ND2 2.9Å
55G86.3Confident88.8Confident13 Ų1337 Ų3713%0.13422%0.216CC..  trans65.621.5179.800000114.1S53 R191S53-G55 VanDerWaalsContact C-N 3.29Å; S53-G55 PolarHBondContact OG-N 3.02Å; S53-G55 VanDerWaalsContact OG-N 3.11Å; G55-R191 WeakPolarHBondContact CA-O 3.39Å
56S81.4Confident89Confident45 Ų4534.5 Ų34.532%0.31521%0.208SC..  trans-76.5165.1175.464.80000111.6D54 V58 P59D54-S56 VanDerWaalsContact CG-OG 3.25Å; D54-S56 PolarHBondContact O-N 3.3Å; D54-S56 PolarHBondContact OD1-OG 3.37Å; D54-S56 WeakPolarHBondContact OD2-CB 3.43Å; D54-S56 PolarHBondContact OD2-OG 3.06Å; S56-V58 PolarHBondContact O-N 2.85Å; S56-V58 VanDerWaalsContact O-N 3.13Å; S56-V58 PolarHBondContact OG-O 2.71Å; S56-V58 VanDerWaalsContact OG-O 3.05Å; S56-P59 WeakPolarHBondContact O-CD 3.27Å
57S70.5Confident89.3Confident114 Ų11437.4 Ų37.480%0.79722%0.222SC*.SBendtrans-57.6-29.4-179.3-50.30000113.4
58V72.9Confident89.2Confident125 Ų12538.4 Ų38.476%0.75823%0.233SC*.SBendtrans-11683.7167.7-176.50000107S56 T60S56-V58 PolarHBondContact O-N 2.85Å; S56-V58 VanDerWaalsContact O-N 3.13Å; S56-V58 PolarHBondContact OG-O 2.71Å; S56-V58 VanDerWaalsContact OG-O 3.05Å; V58-T60 PolarHBondContact O-N 2.79Å
59P70Confident89Confident18 Ų1841.3 Ų41.312%0.11725%0.248CC..  trans-69.8133.7-164.527.7-35.3000111.1S53 D54 S56 F61S53-P59 WeakPolarHBondContact OG-CB 3.2Å; D54-P59 WeakPolarHBondContact OD1-CA 3.29Å; S56-P59 WeakPolarHBondContact O-CD 3.27Å; P59-F61 HydrophobicContact CB-CD1 4.05Å; P59-F61 HydrophobicContact CB-CE1 3.74Å; P59-F61 HydrophobicContact CG-CD1 4.39Å; P59-F61 HydrophobicContact CG-CE1 3.88Å
60T83.5Confident88.8Confident77 Ų7741.3 Ų41.347%0.47225%0.248SC..  trans-89.1111.6173.2-61.30000108.9S53 D54 V58 K62S53-T60 WeakPolarHBondContact CA-O 3.48Å; D54-T60 PolarHBondContact OD1-N 2.74Å; V58-T60 PolarHBondContact O-N 2.79Å; T60-K62 HydrophobicContact CG2-CG 4.4Å
61F91.1Very high88.5Confident24 Ų2446.3 Ų46.311%0.10528%0.275CS..EExtended strand (participates in β ladder)trans-90.2125.7176.1-80.133.7000109.6V51 T52 P59 V109 K116 A118 M189V51-F61 HydrophobicContact CG1-CB 4.28Å; V51-F61 HydrophobicContact CG1-CD2 3.8Å; V51-F61 HydrophobicContact CG1-CG 4.31Å; T52-F61 WeakPolarHBondContact O-CA 3.39Å; P59-F61 HydrophobicContact CB-CD1 4.05Å; P59-F61 HydrophobicContact CB-CE1 3.74Å; P59-F61 HydrophobicContact CG-CD1 4.39Å; P59-F61 HydrophobicContact CG-CE1 3.88Å; F61-V109 HydrophobicContact CD2-CG1 3.81Å; F61-V109 HydrophobicContact CD2-CG2 4.4Å; F61-K116 HydrophobicContact CB-CD 4.25Å; F61-K116 HydrophobicContact CD1-CB 4.34Å; F61-K116 HydrophobicContact CD2-CB 4.12Å; F61-K116 HydrophobicContact CE1-CB 4.33Å; F61-K116 HydrophobicContact CE2-CB 4.08Å; F61-K116 HydrophobicContact CG-CB 4.25Å; F61-K116 HydrophobicContact CG-CD 4.33Å; F61-K116 HydrophobicContact CZ-CB 4.19Å; F61-A118 HydrophobicContact CD2-CB 4.02Å; F61-A118 HydrophobicContact CE2-CB 3.59Å; F61-M189 HydrophobicContact CD1-CE 4.48Å; F61-M189 HydrophobicContact CD2-CE 3.99Å; F61-M189 HydrophobicContact CE1-CE 4.16Å; F61-M189 HydrophobicContact CE2-CE 3.65Å; F61-M189 HydrophobicContact CG-CE 4.41Å; F61-M189 HydrophobicContact CZ-CE 3.75Å; F61-M189 HydrophobicContact CZ-CG 4.42Å
62K93.4Very high88.2Confident71 Ų7153 Ų5331%0.30931%0.306SS..EExtended strand (participates in β ladder)trans-112.9127.4171.9-58.8-163.5-173.5177.20109V51 T52 T60 K81 L82V51-K62 CarbonylContact C-O 3.59Å; V51-K62 VanDerWaalsContact CA-O 3.28Å; V51-K62 WeakPolarHBondContact CA-O 3.42Å; T52-K62 PolarHBondContact N-O 2.89Å; T52-K62 PolarHBondContact O-N 3.22Å; T60-K62 HydrophobicContact CG2-CG 4.4Å; K62-K81 WeakPolarHBondContact CD-O 3.36Å; K62-L82 HydrophobicContact CB-CD2 4.01Å; K62-L82 WeakPolarHBondContact O-CD2 3.38Å
63S93.9Very high88Confident74 Ų7453.3 Ų53.352%0.51731%0.308SS..EExtended strand (participates in β ladder)trans-123.4136.5-177.163.90000111.1I50I50-S63 WeakPolarHBondContact O-CA 3.48Å
64H95.3Very high88Confident35 Ų3553.8 Ų53.816%0.16231%0.31CS..EExtended strand (participates in β ladder)trans-134.6130.9166.7-175.574.9000109.4G49 I50 V73 F74 N78 L82G49-H64 WeakPolarHBondContact CA-O 3.25Å; I50-H64 PolarHBondContact N-O 2.89Å; I50-H64 PolarHBondContact O-N 3.36Å; H64-V73 PolarHBondContact NE2-O 3.44Å; H64-F74 HydrophobicContact CB-CE1 4.26Å; H64-F74 AromaticContact CD2-CD1 3.81Å; H64-F74 AromaticContact CD2-CE1 3.63Å; H64-N78 PolarHBondContact CE1-ND2 3.21Å; H64-N78 PolarHBondContact NE2-ND2 3.21Å; H64-N78 VanDerWaalsContact NE2-ND2 3.17Å; H64-L82 HydrophobicContact CB-CD1 4.25Å; H64-L82 HydrophobicContact CB-CD2 4.18Å; H64-L82 HydrophobicContact CB-CG 4.4Å
65K94.5Very high88.1Confident60 Ų6055.1 Ų55.126%0.26132%0.319SS..EExtended strand (participates in β ladder)trans-140.3148.5-176.4-55.3177.8-178.3-177.60109.5A48 C105 P107A48-K65 WeakPolarHBondContact O-CA 3.29Å; K65-C105 HydrophobicContact CB-CB 4.04Å; K65-C105 HydrophobicContact CD-CB 3.94Å; K65-C105 WeakPolarHBondContact CD-O 3.47Å; K65-C105 WeakPolarHBondContact CE-O 3.3Å; K65-C105 HydrophobicContact CG-CB 4.46Å; K65-C105 PolarHBondContact NZ-O 3.46Å; K65-P107 WeakPolarHBondContact CE-O 3.35Å; K65-P107 PolarHBondContact NZ-O 2.9Å
66G92.2Very high88.2Confident13 Ų1361.7 Ų61.713%0.13435%0.347CS..EExtended strand (participates in β ladder)trans-162161.317800000112.8S47 A48 V73S47-G66 VanDerWaalsContact CA-O 3.31Å; S47-G66 WeakPolarHBondContact CA-O 3.4Å; S47-G66 VanDerWaalsContact CB-O 3.23Å; S47-G66 WeakPolarHBondContact CB-O 3.49Å; A48-G66 PolarHBondContact N-O 3.18Å; A48-G66 PolarHBondContact O-N 3.09Å; G66-V73 WeakPolarHBondContact O-CG2 3.32Å
67M91.4Very high88.6Confident77 Ų7764.5 Ų64.538%0.37936%0.358SS..EExtended strand (participates in β ladder)trans-79.6146.4174.1-60.3-56.9-68.500110.9E46 C100 L102E46-M67 WeakPolarHBondContact O-CE 3.42Å; M67-C100 WeakPolarHBondContact CE-SG 3.31Å; M67-L102 HydrophobicContact CG-CD1 4.36Å
68G88.8Confident89.5Confident22 Ų2260.5 Ų60.523%0.22733%0.328CS..SBendtrans99-161.2177.800000114.3Q45 E46Q45-G68 CarbonylContact O-C 3.56Å; E46-G68 PolarHBondContact O-N 3.12Å
69L90.9Very high90.3Very high61 Ų6155.2 Ų55.232%0.31930%0.295SS..  trans-70.1153.3-177.9-57.7176.5000111.7Q41 Q45 N71 H72 V73Q41-L69 HydrophobicContact CG-CD2 4.17Å; Q45-L69 HydrophobicContact CB-CD2 3.64Å; Q45-L69 HydrophobicContact CG-CD2 3.89Å; L69-N71 VanDerWaalsContact C-N 3.3Å; L69-N71 PolarHBondContact O-N 3.03Å; L69-H72 WeakPolarHBondContact O-CB 3.19Å; L69-H72 PolarHBondContact O-N 3.31Å; L69-V73 WeakPolarHBondContact O-CG2 3.5Å; L69-V73 PolarHBondContact O-N 2.96Å; L69-V73 VanDerWaalsContact O-N 3.1Å
70V93.1Very high91.2Very high0 Ų060.2 Ų60.20%032%0.315CS..Hα-helixtrans-53-48-179.2176.60000111T34 L37 V38 Q41 A48 H72 V73 F74 T92T34-V70 HydrophobicContact CG2-CG1 3.87Å; L37-V70 HydrophobicContact CB-CG1 4.06Å; L37-V70 HydrophobicContact CB-CG2 3.9Å; V38-V70 HydrophobicContact CG2-CB 4.09Å; V38-V70 HydrophobicContact CG2-CG1 3.74Å; Q41-V70 VanDerWaalsContact OE1-CG2 3.24Å; A48-V70 HydrophobicContact CB-CG2 3.89Å; V70-H72 PolarHBondContact O-N 3.32Å; V70-V73 PolarHBondContact O-N 3.34Å; V70-V73 VanDerWaalsContact O-N 3.12Å; V70-F74 HydrophobicContact CG1-CD2 3.84Å; V70-F74 HydrophobicContact CG1-CE2 4.4Å; V70-F74 WeakPolarHBondContact O-CD2 3.09Å; V70-F74 PolarHBondContact O-N 3.02Å; V70-T92 HydrophobicContact CG2-CG2 3.42Å; V70-T92 VanDerWaalsContact CG2-CG2 3.42Å
71N91.4Very high91.4Very high105 Ų10562.3 Ų62.356%0.56132%0.318SS*.Hα-helixtrans-65.5-20.9-179.6-68.7-14.2000114.2V38 L69V38-N71 WeakPolarHBondContact CG2-OD1 3.35Å; L69-N71 VanDerWaalsContact C-N 3.3Å; L69-N71 PolarHBondContact O-N 3.03Å
72H91.1Very high91.3Very high140 Ų14061.2 Ų61.265%0.64831%0.313SS*.Hα-helixtrans-85.6-33.4174.6-64.4170.4000111.7L69 V70L69-H72 WeakPolarHBondContact O-CB 3.19Å; L69-H72 PolarHBondContact O-N 3.31Å; V70-H72 PolarHBondContact O-N 3.32Å
73V92.1Very high90.4Very high7 Ų764 Ų644%0.04232%0.322CS..Hα-helixtrans-76.2-42.7-179.3176.10000111.3A48 H64 G66 L69 V70 N78A48-V73 HydrophobicContact CB-CB 4.45Å; A48-V73 HydrophobicContact CB-CG2 4.32Å; H64-V73 PolarHBondContact NE2-O 3.44Å; G66-V73 WeakPolarHBondContact O-CG2 3.32Å; L69-V73 WeakPolarHBondContact O-CG2 3.5Å; L69-V73 PolarHBondContact O-N 2.96Å; L69-V73 VanDerWaalsContact O-N 3.1Å; V70-V73 PolarHBondContact O-N 3.34Å; V70-V73 VanDerWaalsContact O-N 3.12Å; V73-N78 PolarHBondContact O-ND2 2.89Å
74F94.1Very high89.4Confident11 Ų1165.1 Ų65.15%0.04833%0.326CS..  trans-105.376.2-174.2-59.9-72.7000111.8T34 A48 I50 H64 V70 L79 L82T34-F74 HydrophobicContact CG2-CB 3.91Å; T34-F74 HydrophobicContact CG2-CD2 4.44Å; T34-F74 HydrophobicContact CG2-CG 4.39Å; A48-F74 HydrophobicContact CB-CE2 3.76Å; I50-F74 HydrophobicContact CB-CE1 3.8Å; I50-F74 HydrophobicContact CB-CZ 3.88Å; I50-F74 HydrophobicContact CD1-CD1 3.92Å; I50-F74 HydrophobicContact CD1-CD2 4.21Å; I50-F74 HydrophobicContact CD1-CE1 3.62Å; I50-F74 HydrophobicContact CD1-CE2 3.92Å; I50-F74 HydrophobicContact CD1-CG 4.21Å; I50-F74 HydrophobicContact CD1-CZ 3.64Å; I50-F74 HydrophobicContact CG1-CD1 4.48Å; I50-F74 HydrophobicContact CG1-CE1 3.69Å; I50-F74 HydrophobicContact CG1-CE2 3.98Å; I50-F74 HydrophobicContact CG1-CZ 3.41Å; I50-F74 VanDerWaalsContact CG1-CZ 3.41Å; H64-F74 HydrophobicContact CB-CE1 4.26Å; H64-F74 AromaticContact CD2-CD1 3.81Å; H64-F74 AromaticContact CD2-CE1 3.63Å; V70-F74 HydrophobicContact CG1-CD2 3.84Å; V70-F74 HydrophobicContact CG1-CE2 4.4Å; V70-F74 WeakPolarHBondContact O-CD2 3.09Å; V70-F74 PolarHBondContact O-N 3.02Å; F74-L79 HydrophobicContact CB-CD2 4.05Å; F74-L79 HydrophobicContact CB-CG 4.21Å; F74-L79 HydrophobicContact CD1-CD2 4.18Å; F74-L79 HydrophobicContact CG-CD2 4.44Å; F74-L82 HydrophobicContact CD1-CD1 4.46Å; F74-L82 HydrophobicContact CE1-CD1 4.3Å
75T92.3Very high88.8Confident65 Ų6563.9 Ų63.940%0.39932%0.321SS..  trans-75163.516663.70000110.7D77 N78 L79T75-D77 PolarHBondContact O-N 3.13Å; T75-D77 VanDerWaalsContact O-N 3.17Å; T75-N78 PolarHBondContact O-N 3.08Å; T75-N78 PolarHBondContact OG1-N 3.09Å; T75-N78 PolarHBondContact OG1-ND2 3.49Å; T75-L79 PolarHBondContact O-N 2.88Å
76E89.1Confident88.8Confident152 Ų15261.6 Ų61.671%0.7131%0.312SS*.Hα-helixtrans-50.5-41.9176.3-69.6-176.1-17900112.6N78 L79 K80E76-N78 PolarHBondContact O-N 3.26Å; E76-L79 PolarHBondContact O-N 3.43Å; E76-K80 WeakPolarHBondContact O-CG 3.41Å; E76-K80 PolarHBondContact O-N 3.34Å
77D88.8Confident89Confident103 Ų10361 Ų6155%0.55131%0.305SS*.Hα-helixtrans-69.5-31.8-179.8-68.1-27.4000113.4T75 K80T75-D77 PolarHBondContact O-N 3.13Å; T75-D77 VanDerWaalsContact O-N 3.17Å; D77-K80 IonicContact OD1-NZ 3.71Å; D77-K80 PolarHBondContact OD1-NZ 3.4Å
78N90Very high89.3Confident30 Ų3057.3 Ų57.316%0.1629%0.287CS..Hα-helixtrans-75.9-35.5174.2-71.6-25.1000111.4H64 V73 T75 E76 K81H64-N78 PolarHBondContact CE1-ND2 3.21Å; H64-N78 PolarHBondContact NE2-ND2 3.21Å; H64-N78 VanDerWaalsContact NE2-ND2 3.17Å; V73-N78 PolarHBondContact O-ND2 2.89Å; T75-N78 PolarHBondContact O-N 3.08Å; T75-N78 PolarHBondContact OG1-N 3.09Å; T75-N78 PolarHBondContact OG1-ND2 3.49Å; E76-N78 PolarHBondContact O-N 3.26Å; N78-K81 WeakPolarHBondContact O-CB 3.32Å; N78-K81 PolarHBondContact O-N 2.91Å; N78-K81 PolarHBondContact OD1-NZ 3.09Å
79L89.9Confident89.8Confident14 Ų1456.2 Ų56.27%0.07328%0.276CS..Hα-helixtrans-65.7-38175.6-72.4174.1000112.6P30 T34 F74 T75 E76 K81 L82 Y83P30-L79 HydrophobicContact CB-CD2 4.2Å; T34-L79 WeakPolarHBondContact OG1-CD2 3.41Å; F74-L79 HydrophobicContact CB-CD2 4.05Å; F74-L79 HydrophobicContact CB-CG 4.21Å; F74-L79 HydrophobicContact CD1-CD2 4.18Å; F74-L79 HydrophobicContact CG-CD2 4.44Å; T75-L79 PolarHBondContact O-N 2.88Å; E76-L79 PolarHBondContact O-N 3.43Å; L79-K81 PolarHBondContact O-N 3.42Å; L79-K81 VanDerWaalsContact O-N 3.09Å; L79-L82 HydrophobicContact CD2-CD1 4.47Å; L79-L82 WeakPolarHBondContact O-CB 3.48Å; L79-L82 PolarHBondContact O-N 2.75Å; L79-Y83 PolarHBondContact O-N 2.97Å
80K88.2Confident90.1Very high124 Ų12453.3 Ų53.354%0.53926%0.261SS..Hα-helixtrans-55.3-29.2174-73.5169.4-163.6159.10112.8E76 D77 L82E76-K80 WeakPolarHBondContact O-CG 3.41Å; E76-K80 PolarHBondContact O-N 3.34Å; D77-K80 IonicContact OD1-NZ 3.71Å; D77-K80 PolarHBondContact OD1-NZ 3.4Å; K80-L82 PolarHBondContact O-N 3.37Å
81K87.9Confident90.3Very high120 Ų12053.3 Ų53.352%0.52226%0.261SS..THydrogen-bonded Turntrans-68.6-22.7176.9-59.6170.2-173.2162.90112.2K62 N78 L79K62-K81 WeakPolarHBondContact CD-O 3.36Å; N78-K81 WeakPolarHBondContact O-CB 3.32Å; N78-K81 PolarHBondContact O-N 2.91Å; N78-K81 PolarHBondContact OD1-NZ 3.09Å; L79-K81 PolarHBondContact O-N 3.42Å; L79-K81 VanDerWaalsContact O-N 3.09Å
82L88.1Confident90.4Very high2 Ų248.3 Ų48.31%0.0123%0.234CC..THydrogen-bonded Turntrans-98.4-6-176.1-59.4174.9000114P30 I50 T52 K62 H64 F74 L79 K80 V84 S85P30-L82 HydrophobicContact CB-CB 3.83Å; P30-L82 HydrophobicContact CB-CD1 4.37Å; P30-L82 HydrophobicContact CG-CB 3.76Å; P30-L82 WeakPolarHBondContact CG-O 3.26Å; I50-L82 HydrophobicContact CB-CD1 3.98Å; I50-L82 HydrophobicContact CG2-CD1 3.87Å; T52-L82 HydrophobicContact CG2-CB 4.25Å; T52-L82 PolarHBondContact OG1-O 2.93Å; K62-L82 HydrophobicContact CB-CD2 4.01Å; K62-L82 WeakPolarHBondContact O-CD2 3.38Å; H64-L82 HydrophobicContact CB-CD1 4.25Å; H64-L82 HydrophobicContact CB-CD2 4.18Å; H64-L82 HydrophobicContact CB-CG 4.4Å; F74-L82 HydrophobicContact CD1-CD1 4.46Å; F74-L82 HydrophobicContact CE1-CD1 4.3Å; L79-L82 HydrophobicContact CD2-CD1 4.47Å; L79-L82 WeakPolarHBondContact O-CB 3.48Å; L79-L82 PolarHBondContact O-N 2.75Å; K80-L82 PolarHBondContact O-N 3.37Å; L82-V84 PolarHBondContact O-N 3.29Å; L82-S85 PolarHBondContact O-OG 3.41Å
83Y76Confident90.3Very high129 Ų12942 Ų4251%0.50621%0.205SC..  trans-65.3-25.8-158.5-130.6-98.1000117.4D28 L79 S85D28-Y83 WeakPolarHBondContact OD2-CE2 3.4Å; D28-Y83 PolarHBondContact OD2-OH 2.92Å; L79-Y83 PolarHBondContact O-N 2.97Å; Y83-S85 PolarHBondContact O-N 3.06Å; Y83-S85 VanDerWaalsContact O-N 3.14Å
84V71.6Confident89.5Confident98 Ų9842.3 Ų42.359%0.59421%0.205SC*.SBendtrans-88.884.5177.8-174.90000107.7L82L82-V84 PolarHBondContact O-N 3.29Å
85S84.4Confident88.1Confident8 Ų842.6 Ų42.66%0.05621%0.209CC..  trans-155.4140.1-178.361.70000113.9P30 S53 L82 Y83P30-S85 WeakPolarHBondContact CD-OG 3.48Å; S53-S85 CarbonylContact O-C 3.55Å; S53-S85 WeakPolarHBondContact O-CA 3.35Å; S53-S85 VanDerWaalsContact O-CB 3.31Å; S53-S85 WeakPolarHBondContact O-CB 3.48Å; L82-S85 PolarHBondContact O-OG 3.41Å; Y83-S85 PolarHBondContact O-N 3.06Å; Y83-S85 VanDerWaalsContact O-N 3.14Å
86N94.1Very high86.4Confident12 Ų1240.7 Ų40.76%0.06420%0.198CC..SBendtrans-101.6-19.2174-62.4-52.8000112.8A19 W23 P24 T25 S53 D54A19-N86 WeakPolarHBondContact CB-O 3.41Å; A19-N86 PolarHBondContact N-O 3.47Å; W23-N86 HydrophobicContact CD2-CB 3.39Å; W23-N86 VanDerWaalsContact CD2-CG 3.49Å; W23-N86 VanDerWaalsContact CE2-CB 3.43Å; W23-N86 HydrophobicContact CE3-CB 3.76Å; W23-N86 HydrophobicContact CG-CB 3.78Å; W23-N86 HydrophobicContact CH2-CB 4.16Å; W23-N86 HydrophobicContact CZ2-CB 3.8Å; W23-N86 HydrophobicContact CZ3-CB 4.14Å; P24-N86 WeakPolarHBondContact CA-OD1 3.31Å; T25-N86 WeakPolarHBondContact CG2-OD1 3.21Å; T25-N86 PolarHBondContact N-OD1 3.5Å; S53-N86 PolarHBondContact O-N 2.98Å; D54-N86 PolarHBondContact O-ND2 2.9Å
87L96.5Very high85Confident0 Ų036.8 Ų36.80%018%0.184CC..EExtended strand (participates in β ladder)trans-148.1158.8178.570.1165.5000111C17 I18 W23 T52 S53 M189 I194C17-L87 CarbonylContact O-C 3.55Å; C17-L87 VanDerWaalsContact O-CA 3.25Å; C17-L87 WeakPolarHBondContact O-CA 3.49Å; I18-L87 HydrophobicContact CB-CB 3.93Å; I18-L87 HydrophobicContact CD1-CB 4.24Å; I18-L87 HydrophobicContact CD1-CD1 4.17Å; I18-L87 HydrophobicContact CG1-CB 3.88Å; W23-L87 HydrophobicContact CH2-CD2 3.91Å; W23-L87 HydrophobicContact CZ3-CD2 4.24Å; T52-L87 WeakPolarHBondContact CA-O 3.19Å; S53-L87 PolarHBondContact N-O 2.83Å; S53-L87 WeakPolarHBondContact O-CD2 3.37Å; S53-L87 PolarHBondContact O-N 3.18Å; L87-M189 HydrophobicContact CD1-CG 3.89Å; L87-M189 HydrophobicContact CD1-SD 4.09Å; L87-M189 HydrophobicContact CG-CG 4.37Å; L87-M189 HydrophobicContact CG-SD 3.91Å; L87-I194 HydrophobicContact CB-CD1 4.38Å; L87-I194 HydrophobicContact CD1-CG1 4.04Å
88G97.2Very high83.5Confident0 Ų033.5 Ų33.50%018%0.175CC..EExtended strand (participates in β ladder)trans-169.7162.5177.400000113.2G16 C17 I33 V51G16-G88 WeakPolarHBondContact CA-O 3.46Å; C17-G88 PolarHBondContact N-O 2.73Å; C17-G88 PolarHBondContact O-N 2.88Å; I33-G88 WeakPolarHBondContact CD1-O 3.39Å; V51-G88 CarbonylContact O-C 3.58Å; V51-G88 WeakPolarHBondContact O-CA 3.39Å
89I98.3Very high82.2Confident0 Ų038.5 Ų38.50%020%0.195CC..EExtended strand (participates in β ladder)trans-128.3150173.459.4169.1000110F15 I50 V51 P107 A118 A120 L187 M189 I194F15-I89 CarbonylContact O-C 3.35Å; F15-I89 WeakPolarHBondContact O-CA 3.17Å; I50-I89 WeakPolarHBondContact CA-O 3.36Å; V51-I89 PolarHBondContact N-O 3.26Å; V51-I89 PolarHBondContact O-N 3.47Å; I89-P107 HydrophobicContact CD1-CB 3.81Å; I89-P107 HydrophobicContact CD1-CG 4.12Å; I89-P107 HydrophobicContact CG1-CB 4.06Å; I89-P107 HydrophobicContact CG1-CG 3.88Å; I89-A118 HydrophobicContact CD1-CB 3.76Å; I89-A118 WeakPolarHBondContact CD1-O 3.34Å; I89-A118 HydrophobicContact CG1-CB 4.3Å; I89-A120 HydrophobicContact CD1-CB 4.15Å; I89-L187 HydrophobicContact CG2-CB 3.96Å; I89-L187 HydrophobicContact CG2-CD1 4.31Å; I89-M189 HydrophobicContact CD1-CB 4.13Å; I89-M189 HydrophobicContact CG1-CB 4.29Å; I89-M189 HydrophobicContact CG2-CB 4.2Å; I89-I194 HydrophobicContact CG2-CD1 4.01Å; I89-I194 HydrophobicContact CG2-CG1 4.4Å; I89-I194 HydrophobicContact CG2-CG2 4.17Å
90G97.7Very high81.2Confident0 Ų041.2 Ų41.20%022%0.215CC..EExtended strand (participates in β ladder)trans-141.9162.5-176.600000111.8F15 G49F15-G90 PolarHBondContact N-O 3.45Å; F15-G90 PolarHBondContact O-N 3.29Å; G49-G90 CarbonylContact O-C 3.57Å; G49-G90 WeakPolarHBondContact O-CA 3.24Å
91H97.3Very high80.8Confident0 Ų039 Ų390%021%0.206CC..EExtended strand (participates in β ladder)trans-149.8141.3-174.6-179.7-86000112.2C12 G13 A48 G49 R93 Q106 A120 H121C12-H91 WeakPolarHBondContact CB-NE2 3.16Å; C12-H91 VanDerWaalsContact SG-CE1 3.54Å; G13-H91 CarbonylContact O-C 3.49Å; G13-H91 VanDerWaalsContact O-CA 3.25Å; G13-H91 WeakPolarHBondContact O-CA 3.46Å; A48-H91 VanDerWaalsContact CA-O 3.26Å; A48-H91 WeakPolarHBondContact CA-O 3.39Å; G49-H91 PolarHBondContact N-O 2.84Å; G49-H91 PolarHBondContact O-N 2.99Å; H91-R93 VanDerWaalsContact CE1-CA 3.45Å; H91-R93 WeakPolarHBondContact CE1-CA 3.07Å; H91-R93 PolarHBondContact ND1-N 2.83Å; H91-Q106 HydrophobicContact CB-CB 3.83Å; H91-Q106 PolarHBondContact CE1-NE2 3.35Å; H91-Q106 VanDerWaalsContact NE2-CD 3.26Å; H91-Q106 PolarHBondContact NE2-NE2 2.78Å; H91-A120 HydrophobicContact CB-CB 4.36Å; H91-H121 PolarHBondContact NE2-O 3.17Å; H91-H121 VanDerWaalsContact NE2-O 3.16Å
92T94Very high80.6Confident0 Ų038.1 Ų38.10%021%0.206CC..EExtended strand (participates in β ladder)trans-111.8128.7163.449.10000109.6C12 G13 L37 L40 V70C12-T92 CarbonylContact C-O 3.53Å; C12-T92 WeakPolarHBondContact CA-O 3.31Å; C12-T92 VanDerWaalsContact CB-O 3.25Å; C12-T92 WeakPolarHBondContact CB-O 3.4Å; G13-T92 WeakPolarHBondContact CA-OG1 3.42Å; G13-T92 PolarHBondContact N-O 2.93Å; G13-T92 PolarHBondContact N-OG1 3.38Å; G13-T92 PolarHBondContact O-N 2.82Å; L37-T92 HydrophobicContact CB-CG2 4.08Å; L37-T92 HydrophobicContact CD2-CG2 4.18Å; L40-T92 PolarHBondContact O-OG1 2.82Å; V70-T92 HydrophobicContact CG2-CG2 3.42Å; V70-T92 VanDerWaalsContact CG2-CG2 3.42Å
93R88.3Confident80.4Confident8 Ų844 Ų443%0.0323%0.234CC..EExtended strand (participates in β ladder)trans-104.1142.2-174.7-168.4173175.1-90.9-1112.4G44 Q45 E46 S47 H91 T97 K99 N104G44-R93 CarbonylContact C-O 3.57Å; G44-R93 WeakPolarHBondContact CA-O 3.26Å; Q45-R93 PolarHBondContact N-O 3.18Å; E46-R93 WeakPolarHBondContact CB-O 3.39Å; E46-R93 PolarHBondContact N-O 3.32Å; E46-R93 VanDerWaalsContact N-O 3.07Å; E46-R93 IonicContact OE2-NH1 3.58Å; S47-R93 PolarHBondContact O-N 3.02Å; S47-R93 WeakPolarHBondContact OG-CB 3.24Å; H91-R93 VanDerWaalsContact CE1-CA 3.45Å; H91-R93 WeakPolarHBondContact CE1-CA 3.07Å; H91-R93 PolarHBondContact ND1-N 2.83Å; R93-T97 PolarHBondContact NH2-O 3.47Å; R93-K99 PolarHBondContact NH2-O 2.99Å; R93-N104 VanDerWaalsContact CD-O 3.32Å; R93-N104 WeakPolarHBondContact CD-O 3.32Å; R93-N104 PolarHBondContact NE-O 3.17Å
94Y76.7Confident80.8Confident13 Ų1338 Ų385%0.05121%0.211CC..  trans-122.8134.8155.9-148.6-67000108.4R9 E10 E46 T96R9-Y94 HydrophobicContact CB-CD1 4.08Å; R9-Y94 HydrophobicContact CB-CE1 3.58Å; R9-Y94 HydrophobicContact CB-CE2 4.44Å; R9-Y94 VanDerWaalsContact CD-CE1 3.43Å; R9-Y94 WeakPolarHBondContact CD-OH 3.29Å; R9-Y94 HydrophobicContact CG-CE1 4.1Å; E10-Y94 HydrophobicContact CB-CD2 4.02Å; E10-Y94 WeakPolarHBondContact O-CB 3.43Å; E10-Y94 VanDerWaalsContact O-CG 3.28Å; E46-Y94 WeakPolarHBondContact OE1-CE1 3.22Å; Y94-T96 PolarHBondContact O-N 3.31Å; Y94-T96 VanDerWaalsContact O-N 3.17Å
95A63.1Low81.7Confident16 Ų1633.4 Ų33.413%0.13218%0.183CC..  trans-68.9113.5173.700000110E46E46-A95 WeakPolarHBondContact OE2-CA 3.22Å; E46-A95 WeakPolarHBondContact OE2-CB 3.31Å; E46-A95 PolarHBondContact OE2-N 3.03Å
96T58.2Low82.1Confident25 Ų2533.2 Ų33.215%0.15318%0.181CC..SBendtrans-104.1-56.3-179.4152.60000107.3E11 Y94E11-T96 VanDerWaalsContact CD-CG2 3.45Å; E11-T96 WeakPolarHBondContact OE1-CG2 3.26Å; E11-T96 WeakPolarHBondContact OE2-CG2 3.42Å; Y94-T96 PolarHBondContact O-N 3.31Å; Y94-T96 VanDerWaalsContact O-N 3.17Å
97T58.4Low82.2Confident70 Ų7032.7 Ų32.743%0.42918%0.178SC..SBendtrans-130.8156.9158.243.50000111R93 E124R93-T97 PolarHBondContact NH2-O 3.47Å; T97-E124 WeakPolarHBondContact CG2-OE1 3.45Å; T97-E124 PolarHBondContact OG1-OE1 3.06Å
98G57.7Low82.1Confident34 Ų3433.5 Ų33.535%0.35118%0.182SC..SBendtrans83.5156.5-176.900000114.4S145G98-S145 WeakPolarHBondContact CA-OG 3.28Å
99K62.2Low81.9Confident136 Ų13636 Ų3659%0.59120%0.197SC*.  trans-67.4152.5-172.3-63.9-178.6-178.3175.10112.8R93 E101 N104R93-K99 PolarHBondContact NH2-O 2.99Å; K99-E101 HydrophobicContact CB-CB 4.48Å; K99-E101 HydrophobicContact CB-CG 3.87Å; K99-E101 WeakPolarHBondContact CD-OE1 3.36Å; K99-E101 IonicContact NZ-OE1 3.97Å; K99-E101 PolarHBondContact O-N 3.02Å; K99-N104 PolarHBondContact O-ND2 2.7Å
100C69.1Low81.6Confident71 Ų7137.2 Ų37.248%0.4820%0.204SC..SBendtrans-76.672.2171.9-162.10000109.9M67M67-C100 WeakPolarHBondContact CE-SG 3.31Å
101E81Confident81.2Confident78 Ų7843 Ų4336%0.36423%0.231SC..  trans-127.2150.9-175.2-72.5171.317100110.4K99 E103 N104K99-E101 HydrophobicContact CB-CB 4.48Å; K99-E101 HydrophobicContact CB-CG 3.87Å; K99-E101 WeakPolarHBondContact CD-OE1 3.36Å; K99-E101 IonicContact NZ-OE1 3.97Å; K99-E101 PolarHBondContact O-N 3.02Å; E101-E103 PolarHBondContact O-N 3.29Å; E101-N104 PolarHBondContact O-N 3.27Å
102L81.9Confident80.6Confident100 Ų10044 Ų4452%0.52424%0.237SC..G310 helixtrans-58.4-32.8-178.2-17468.2000112.1M67 N104 C105M67-L102 HydrophobicContact CG-CD1 4.36Å; L102-N104 PolarHBondContact O-N 3.38Å; L102-C105 WeakPolarHBondContact O-CB 3.37Å; L102-C105 PolarHBondContact O-N 3.11Å; L102-C105 PolarHBondContact O-SG 2.74Å
103E84.6Confident80.1Confident127 Ų12750.1 Ų50.159%0.59327%0.269SS*.G310 helixtrans-62-29.6179.5-61.4174.5-165.900112.6E101 C105 T144E101-E103 PolarHBondContact O-N 3.29Å; E103-C105 PolarHBondContact O-N 2.74Å; E103-T144 HydrophobicContact CB-CG2 4.18Å
104N84.3Confident79.9Confident3 Ų350.6 Ų50.62%0.01627%0.272CS..G310 helixtrans-83.42.9177.4-64.3-50.9000112.9R93 K99 E101 L102 Q106 T144R93-N104 VanDerWaalsContact CD-O 3.32Å; R93-N104 WeakPolarHBondContact CD-O 3.32Å; R93-N104 PolarHBondContact NE-O 3.17Å; K99-N104 PolarHBondContact O-ND2 2.7Å; E101-N104 PolarHBondContact O-N 3.27Å; L102-N104 PolarHBondContact O-N 3.38Å; N104-Q106 PolarHBondContact O-N 2.95Å; N104-T144 WeakPolarHBondContact OD1-CB 3.41Å
105C90.1Very high80.3Confident0 Ų051 Ų510%028%0.28CS..PPolyproline II helixtrans-74.4127.6178.5-62.20000111.2S47 K65 L102 E103S47-C105 WeakPolarHBondContact CB-SG 3.49Å; S47-C105 PolarHBondContact OG-SG 2.71Å; K65-C105 HydrophobicContact CB-CB 4.04Å; K65-C105 HydrophobicContact CD-CB 3.94Å; K65-C105 WeakPolarHBondContact CD-O 3.47Å; K65-C105 WeakPolarHBondContact CE-O 3.3Å; K65-C105 HydrophobicContact CG-CB 4.46Å; K65-C105 PolarHBondContact NZ-O 3.46Å; L102-C105 WeakPolarHBondContact O-CB 3.37Å; L102-C105 PolarHBondContact O-N 3.11Å; L102-C105 PolarHBondContact O-SG 2.74Å; E103-C105 PolarHBondContact O-N 2.74Å
106Q93.4Very high81.7Confident5 Ų553.8 Ų53.82%0.02329%0.289CS..SBendtrans-90.8164.1175.1-59.3-168.352.500110.8G49 H91 N104 F108 H121 S148G49-Q106 VanDerWaalsContact CA-O 3.28Å; G49-Q106 WeakPolarHBondContact CA-O 3.37Å; H91-Q106 HydrophobicContact CB-CB 3.83Å; H91-Q106 PolarHBondContact CE1-NE2 3.35Å; H91-Q106 VanDerWaalsContact NE2-CD 3.26Å; H91-Q106 PolarHBondContact NE2-NE2 2.78Å; N104-Q106 PolarHBondContact O-N 2.95Å; Q106-F108 HydrophobicContact CG-CD2 3.9Å; Q106-F108 HydrophobicContact CG-CE2 3.76Å; Q106-H121 PolarHBondContact NE2-O 2.92Å; Q106-H121 VanDerWaalsContact NE2-O 3.07Å; Q106-H121 PolarHBondContact OE1-O 3.2Å; Q106-S148 PolarHBondContact NE2-OG 3.46Å; Q106-S148 PolarHBondContact OE1-OG 3.27Å
107P95.8Very high83.3Confident0 Ų052.6 Ų52.60%028%0.282CS..SBendcis-71.2141.8-2.9-18.230.3000114.3V51 K65 I89 V119 A120V51-P107 HydrophobicContact CB-CB 4.45Å; V51-P107 HydrophobicContact CB-CG 4.37Å; V51-P107 HydrophobicContact CG2-CB 3.8Å; V51-P107 HydrophobicContact CG2-CG 3.9Å; K65-P107 WeakPolarHBondContact CE-O 3.35Å; K65-P107 PolarHBondContact NZ-O 2.9Å; I89-P107 HydrophobicContact CD1-CB 3.81Å; I89-P107 HydrophobicContact CD1-CG 4.12Å; I89-P107 HydrophobicContact CG1-CB 4.06Å; I89-P107 HydrophobicContact CG1-CG 3.88Å; P107-V119 CarbonylContact C-O 3.47Å; P107-V119 WeakPolarHBondContact CA-O 3.37Å; P107-V119 WeakPolarHBondContact CB-O 3.45Å; P107-A120 HydrophobicContact CB-CB 4.2Å; P107-A120 HydrophobicContact CG-CB 4.16Å
108F94.3Very high85.1Confident18 Ų1849.2 Ų49.28%0.07926%0.261CS..EExtended strand (participates in β ladder)trans-77.8139.1174-79.1-89.3000110.6Q106 A118 V119 T144 E149 T152Q106-F108 HydrophobicContact CG-CD2 3.9Å; Q106-F108 HydrophobicContact CG-CE2 3.76Å; F108-A118 CarbonylContact O-C 3.54Å; F108-A118 WeakPolarHBondContact O-CA 3.41Å; F108-V119 PolarHBondContact N-O 3.49Å; F108-V119 PolarHBondContact O-N 2.74Å; F108-T144 HydrophobicContact CE1-CG2 4.03Å; F108-T144 HydrophobicContact CZ-CG2 4.29Å; F108-E149 HydrophobicContact CD1-CB 4.16Å; F108-E149 HydrophobicContact CD1-CG 4.47Å; F108-E149 HydrophobicContact CE1-CB 3.96Å; F108-E149 HydrophobicContact CE1-CG 4.45Å; F108-E149 HydrophobicContact CZ-CB 4.21Å; F108-T152 HydrophobicContact CB-CG2 4.45Å
109V93.8Very high87Confident52 Ų5247.6 Ų47.632%0.31524%0.244SC..EExtended strand (participates in β ladder)trans-121.3126.1178.1-176.90000108.6V51 F61 I117 A118V51-V109 HydrophobicContact CB-CG2 4.41Å; V51-V109 HydrophobicContact CG1-CG2 3.86Å; V51-V109 HydrophobicContact CG2-CG2 3.7Å; F61-V109 HydrophobicContact CD2-CG1 3.81Å; F61-V109 HydrophobicContact CD2-CG2 4.4Å; V109-I117 VanDerWaalsContact CA-O 3.3Å; V109-I117 WeakPolarHBondContact CA-O 3.46Å; V109-A118 HydrophobicContact CG2-CB 4.01Å
110V91.2Very high88.7Confident26 Ų2641.1 Ų41.116%0.15822%0.216CC..EExtended strand (participates in β ladder)trans-133138.4179.8173.20000109.3T112 K116 I117 T152V110-T112 HydrophobicContact CG1-CG2 4.42Å; V110-K116 WeakPolarHBondContact O-CA 3.1Å; V110-I117 HydrophobicContact CB-CG1 4.46Å; V110-I117 PolarHBondContact N-O 2.88Å; V110-I117 PolarHBondContact O-N 2.9Å; V110-T152 HydrophobicContact CB-CG2 3.8Å; V110-T152 HydrophobicContact CG2-CG2 3.49Å; V110-T152 VanDerWaalsContact CG2-CG2 3.49Å
111E88.9Confident89.9Confident122 Ų12237.9 Ų37.957%0.5719%0.194SC*.EExtended strand (participates in β ladder)trans-79.6127.8168.8-167.872.3-127.900108.9K116E111-K116 WeakPolarHBondContact OE2-CE 3.36Å; E111-K116 WeakPolarHBondContact OE2-CG 3.48Å
112T86.6Confident90.5Very high19 Ų1934.2 Ų34.212%0.11718%0.177CC..EExtended strand (participates in β ladder)trans-119.117217878.30000110.2V110 H114 G115 I117 A156 W169V110-T112 HydrophobicContact CG1-CG2 4.42Å; T112-H114 PolarHBondContact O-N 3.46Å; T112-H114 PolarHBondContact OG1-N 2.94Å; T112-H114 VanDerWaalsContact OG1-N 3.13Å; T112-G115 WeakPolarHBondContact CB-O 3.46Å; T112-G115 PolarHBondContact N-O 3.31Å; T112-G115 VanDerWaalsContact N-O 3.09Å; T112-G115 PolarHBondContact O-N 3.36Å; T112-G115 VanDerWaalsContact O-N 3.1Å; T112-G115 PolarHBondContact OG1-N 2.88Å; T112-G115 PolarHBondContact OG1-O 3.48Å; T112-I117 HydrophobicContact CG2-CD1 3.94Å; T112-I117 HydrophobicContact CG2-CG1 3.89Å; T112-I117 HydrophobicContact CG2-CG2 4.46Å; T112-A156 HydrophobicContact CG2-CB 3.61Å; T112-W169 HydrophobicContact CG2-CH2 4.38Å
113L82.4Confident90.9Very high130 Ų13029.9 Ų29.968%0.68116%0.157SC*.THydrogen-bonded Turntrans-53.2-27.4171.4-176.564.5000112.4
114H83.3Confident91.2Very high17 Ų1725 Ų258%0.07913%0.134CC..THydrogen-bonded Turntrans-106.917.4-174.7-49.4-64.3000113.5T112 D165 P167 W169 R172 H190T112-H114 PolarHBondContact O-N 3.46Å; T112-H114 PolarHBondContact OG1-N 2.94Å; T112-H114 VanDerWaalsContact OG1-N 3.13Å; H114-D165 PolarHBondContact CE1-O 2.91Å; H114-D165 VanDerWaalsContact CE1-O 3.3Å; H114-D165 PolarHBondContact ND1-O 2.81Å; H114-P167 HydrophobicContact CB-CB 3.64Å; H114-P167 HydrophobicContact CB-CG 3.88Å; H114-P167 VanDerWaalsContact CG-CB 3.48Å; H114-W169 HydrophobicContact CB-CZ2 4.33Å; H114-R172 PolarHBondContact NE2-NH2 3.03Å; H114-R172 VanDerWaalsContact NE2-NH2 3.12Å; H114-H190 PolarHBondContact O-NE2 3.15Å
115G86.8Confident91.5Very high21 Ų2125.1 Ų25.122%0.21613%0.134CC..EExtended strand (participates in β ladder)trans98.4-177.1-178.200000113.6T112T112-G115 WeakPolarHBondContact CB-O 3.46Å; T112-G115 PolarHBondContact N-O 3.31Å; T112-G115 VanDerWaalsContact N-O 3.09Å; T112-G115 PolarHBondContact O-N 3.36Å; T112-G115 VanDerWaalsContact O-N 3.1Å; T112-G115 PolarHBondContact OG1-N 2.88Å; T112-G115 PolarHBondContact OG1-O 3.48Å
116K90.9Very high91.5Very high75 Ų7526 Ų2633%0.32614%0.14SC..EExtended strand (participates in β ladder)trans-68.6138.3-178.8-66.4-178.7-178.3175.20112.3F61 V110 E111F61-K116 HydrophobicContact CB-CD 4.25Å; F61-K116 HydrophobicContact CD1-CB 4.34Å; F61-K116 HydrophobicContact CD2-CB 4.12Å; F61-K116 HydrophobicContact CE1-CB 4.33Å; F61-K116 HydrophobicContact CE2-CB 4.08Å; F61-K116 HydrophobicContact CG-CB 4.25Å; F61-K116 HydrophobicContact CG-CD 4.33Å; F61-K116 HydrophobicContact CZ-CB 4.19Å; V110-K116 WeakPolarHBondContact O-CA 3.1Å; E111-K116 WeakPolarHBondContact OE2-CE 3.36Å; E111-K116 WeakPolarHBondContact OE2-CG 3.48Å
117I93.4Very high91.3Very high0 Ų026 Ų260%014%0.14CC..EExtended strand (participates in β ladder)trans-118.7149.5165.359.6174.4000110.5V109 V110 T112 V119 T152 L155 W169 M189 H190V109-I117 VanDerWaalsContact CA-O 3.3Å; V109-I117 WeakPolarHBondContact CA-O 3.46Å; V110-I117 HydrophobicContact CB-CG1 4.46Å; V110-I117 PolarHBondContact N-O 2.88Å; V110-I117 PolarHBondContact O-N 2.9Å; T112-I117 HydrophobicContact CG2-CD1 3.94Å; T112-I117 HydrophobicContact CG2-CG1 3.89Å; T112-I117 HydrophobicContact CG2-CG2 4.46Å; I117-V119 HydrophobicContact CD1-CG2 4.4Å; I117-T152 HydrophobicContact CD1-CG2 3.88Å; I117-T152 HydrophobicContact CG1-CG2 4.15Å; I117-L155 HydrophobicContact CD1-CB 4.2Å; I117-W169 HydrophobicContact CB-CH2 4.45Å; I117-W169 HydrophobicContact CD1-CH2 4.1Å; I117-W169 HydrophobicContact CD1-CZ3 4.28Å; I117-W169 HydrophobicContact CG2-CH2 3.22Å; I117-W169 HydrophobicContact CG2-CZ2 3.4Å; I117-W169 HydrophobicContact CG2-CZ3 3.94Å; I117-M189 WeakPolarHBondContact CA-O 3.31Å; I117-H190 HydrophobicContact CG2-CB 4.24Å
118A96Very high91Very high0 Ų027.1 Ų27.10%015%0.149CC..EExtended strand (participates in β ladder)trans-123.2135.8167.600000109.7V51 F61 I89 F108 V109 I188 M189V51-A118 HydrophobicContact CB-CB 4.25Å; V51-A118 HydrophobicContact CG1-CB 3.97Å; F61-A118 HydrophobicContact CD2-CB 4.02Å; F61-A118 HydrophobicContact CE2-CB 3.59Å; I89-A118 HydrophobicContact CD1-CB 3.76Å; I89-A118 WeakPolarHBondContact CD1-O 3.34Å; I89-A118 HydrophobicContact CG1-CB 4.3Å; F108-A118 CarbonylContact O-C 3.54Å; F108-A118 WeakPolarHBondContact O-CA 3.41Å; V109-A118 HydrophobicContact CG2-CB 4.01Å; A118-I188 CarbonylContact O-C 3.45Å; A118-I188 WeakPolarHBondContact O-CA 3.42Å; A118-M189 HydrophobicContact CB-CB 4.31Å; A118-M189 HydrophobicContact CB-CE 4.1Å; A118-M189 PolarHBondContact N-O 2.86Å; A118-M189 PolarHBondContact O-N 3.3Å
119V97.2Very high90.8Very high0 Ų030.1 Ų30.10%018%0.177CC..EExtended strand (participates in β ladder)trans-128.7128-177-1760000110.2P107 F108 I117 I151 T152 L155 L186 L187 I188P107-V119 CarbonylContact C-O 3.47Å; P107-V119 WeakPolarHBondContact CA-O 3.37Å; P107-V119 WeakPolarHBondContact CB-O 3.45Å; F108-V119 PolarHBondContact N-O 3.49Å; F108-V119 PolarHBondContact O-N 2.74Å; I117-V119 HydrophobicContact CD1-CG2 4.4Å; V119-I151 HydrophobicContact CG1-CG2 4.2Å; V119-T152 WeakPolarHBondContact CB-OG1 3.38Å; V119-T152 HydrophobicContact CG2-CG2 3.98Å; V119-L155 HydrophobicContact CG2-CD1 3.99Å; V119-L186 HydrophobicContact CG1-CD2 4.38Å; V119-L187 WeakPolarHBondContact CA-O 3.32Å; V119-I188 HydrophobicContact CG1-CG1 4.39Å; V119-I188 HydrophobicContact CG2-CG1 4.3Å; V119-I188 HydrophobicContact CG2-CG2 4.33Å
120A97.1Very high90.7Very high0 Ų033.5 Ų33.50%018%0.184CC..EExtended strand (participates in β ladder)trans-116.1136.8167.600000109.2V14 I89 H91 P107 L186 L187V14-A120 HydrophobicContact CB-CB 4.48Å; V14-A120 HydrophobicContact CG1-CB 3.91Å; I89-A120 HydrophobicContact CD1-CB 4.15Å; H91-A120 HydrophobicContact CB-CB 4.36Å; P107-A120 HydrophobicContact CB-CB 4.2Å; P107-A120 HydrophobicContact CG-CB 4.16Å; A120-L186 WeakPolarHBondContact O-CA 3.35Å; A120-L187 HydrophobicContact CB-CB 4.42Å; A120-L187 PolarHBondContact N-O 3.43Å; A120-L187 PolarHBondContact O-N 2.94Å
121H94.8Very high90.7Very high3 Ų332.4 Ų32.41%0.01418%0.177CC..EExtended strand (participates in β ladder)trans-137.3129.9-167.8163.8-120.9000111H91 Q106 G123 S148 I151 Y184 L186H91-H121 PolarHBondContact NE2-O 3.17Å; H91-H121 VanDerWaalsContact NE2-O 3.16Å; Q106-H121 PolarHBondContact NE2-O 2.92Å; Q106-H121 VanDerWaalsContact NE2-O 3.07Å; Q106-H121 PolarHBondContact OE1-O 3.2Å; H121-G123 PolarHBondContact CE1-O 3.11Å; H121-S148 PolarHBondContact ND1-OG 2.85Å; H121-I151 HydrophobicContact CB-CD1 4.39Å; H121-Y184 WeakPolarHBondContact NE2-CB 3.22Å; H121-L186 HydrophobicContact CB-CD2 3.53Å; H121-L186 VanDerWaalsContact CD2-CD2 3.43Å; H121-L186 WeakPolarHBondContact CD2-CD2 3.37Å
122N93.9Very high90.9Very high0 Ų030.9 Ų30.90%017%0.166CC..EExtended strand (participates in β ladder)trans-116.2115.1168.8170.922.6000108.8E11 C12 V14 Y184 S185E11-N122 WeakPolarHBondContact CB-OD1 3.42Å; C12-N122 PolarHBondContact O-ND2 3.46Å; C12-N122 PolarHBondContact O-OD1 2.88Å; C12-N122 VanDerWaalsContact O-OD1 3.07Å; V14-N122 HydrophobicContact CG1-CB 4.07Å; N122-Y184 CarbonylContact O-C 3.53Å; N122-Y184 VanDerWaalsContact O-CA 3.3Å; N122-Y184 WeakPolarHBondContact O-CA 3.49Å; N122-S185 PolarHBondContact N-O 3.31Å; N122-S185 PolarHBondContact O-N 3.06Å
123G91.2Very high91.1Very high10 Ų1035.7 Ų35.710%0.10319%0.186CC..EExtended strand (participates in β ladder)trans142.4-169.6-178.500000113.7H121 A183H121-G123 PolarHBondContact CE1-O 3.11Å; G123-A183 CarbonylContact C-O 3.47Å; G123-A183 WeakPolarHBondContact CA-O 3.37Å
124E90.6Very high91.5Very high25 Ų2532.3 Ų32.312%0.11717%0.166CC..  trans-147.2137.6177.1-167.6172.9-159.600109.6T97 A183 G429T97-E124 WeakPolarHBondContact CG2-OE1 3.45Å; T97-E124 PolarHBondContact OG1-OE1 3.06Å; E124-A183 PolarHBondContact N-O 2.91Å; E124-A183 PolarHBondContact O-N 3.35Å; E124-A183 VanDerWaalsContact O-N 3.11Å; E124-G429 PolarHBondContact OE2-N 2.96Å
125L90.3Very high91.8Very high5 Ų531.7 Ų31.73%0.02616%0.163CC..  trans-86.6112.9-178.5-61.5-172.1000110.4N127 A128 L131 D147 I151 A180 Y184L125-N127 PolarHBondContact O-N 2.95Å; L125-A128 HydrophobicContact CB-CB 4.2Å; L125-A128 VanDerWaalsContact O-CB 3.28Å; L125-A128 WeakPolarHBondContact O-CB 3.35Å; L125-A128 PolarHBondContact O-N 2.94Å; L125-L131 HydrophobicContact CD1-CD1 3.85Å; L125-D147 HydrophobicContact CD1-CB 4.4Å; L125-D147 HydrophobicContact CG-CB 4.15Å; L125-D147 PolarHBondContact N-OD2 2.94Å; L125-I151 HydrophobicContact CD1-CD1 4.1Å; L125-I151 HydrophobicContact CD1-CG1 3.73Å; L125-I151 HydrophobicContact CD2-CD1 4.09Å; L125-I151 HydrophobicContact CD2-CG1 4.46Å; L125-I151 HydrophobicContact CG-CD1 4.2Å; L125-I151 HydrophobicContact CG-CG1 4.38Å; L125-A180 HydrophobicContact CD2-CB 4Å; L125-Y184 HydrophobicContact CD2-CD1 3.7Å; L125-Y184 HydrophobicContact CD2-CE1 4.24Å
126V89.6Confident92Very high19 Ų1934.9 Ų34.912%0.11517%0.174CC..THydrogen-bonded Turntrans-58.1-21.1178.9-61.30000114.1P181 T182 F427 M428 V513 L515V126-P181 HydrophobicContact CG2-CG 4.12Å; V126-T182 HydrophobicContact CG1-CG2 4.21Å; V126-F427 WeakPolarHBondContact CG1-O 3.31Å; V126-M428 HydrophobicContact CG1-CG 3.91Å; V126-V513 HydrophobicContact CB-CG2 4.43Å; V126-V513 HydrophobicContact CG1-CG2 4.09Å; V126-V513 HydrophobicContact CG2-CG2 3.97Å; V126-L515 HydrophobicContact CB-CD2 4.28Å; V126-L515 HydrophobicContact CG1-CD2 4.15Å
127N90.4Very high92Very high4 Ų440.3 Ų40.32%0.02119%0.193CC..THydrogen-bonded Turntrans-119.726.9-178.264.2-12.1000112.6L125 A129 R130 L131 E179 E516L125-N127 PolarHBondContact O-N 2.95Å; N127-A129 VanDerWaalsContact C-N 3.26Å; N127-A129 PolarHBondContact O-N 3.29Å; N127-R130 PolarHBondContact ND2-NH2 3.11Å; N127-R130 PolarHBondContact O-N 3.04Å; N127-L131 PolarHBondContact O-N 3.35Å; N127-L131 VanDerWaalsContact O-N 3.14Å; N127-L131 WeakPolarHBondContact OD1-CD1 3.24Å; N127-E179 PolarHBondContact ND2-O 3.35Å; N127-E516 HydrophobicContact CB-CG 4.31Å; N127-E516 WeakPolarHBondContact CB-OE2 3.25Å
128A89.6Confident91.7Very high24 Ų2445 Ų4520%0.19822%0.215CC..Hα-helixtrans-46.2-46.1177.900000113.1L125 R130 L131 R132 M150L125-A128 HydrophobicContact CB-CB 4.2Å; L125-A128 VanDerWaalsContact O-CB 3.28Å; L125-A128 WeakPolarHBondContact O-CB 3.35Å; L125-A128 PolarHBondContact O-N 2.94Å; A128-R130 PolarHBondContact O-N 2.91Å; A128-L131 PolarHBondContact O-N 2.96Å; A128-R132 VanDerWaalsContact O-CB 3.31Å; A128-R132 WeakPolarHBondContact O-CB 3.33Å; A128-R132 PolarHBondContact O-N 3Å; A128-M150 HydrophobicContact CB-CE 3.71Å
129A89.8Confident91.4Very high80 Ų8048.3 Ų48.366%0.66125%0.248SC*.Hα-helixtrans-62.1-42.9-177.300000113N127 K133N127-A129 VanDerWaalsContact C-N 3.26Å; N127-A129 PolarHBondContact O-N 3.29Å; A129-K133 PolarHBondContact O-N 2.92Å; A129-K133 VanDerWaalsContact O-N 3.1Å
130R91.8Very high91Very high124 Ų12449.9 Ų49.947%0.46826%0.256SS..Hα-helixtrans-66.2-45.7176.9179.3-17777.2-179.712.2111.5N127 A128 K133 K134 E179 E516N127-R130 PolarHBondContact ND2-NH2 3.11Å; N127-R130 PolarHBondContact O-N 3.04Å; A128-R130 PolarHBondContact O-N 2.91Å; R130-K133 PolarHBondContact O-N 3.07Å; R130-K134 PolarHBondContact O-N 3.24Å; R130-E179 PolarHBondContact NH2-O 3.48Å; R130-E516 WeakPolarHBondContact CB-OE2 3.34Å; R130-E516 WeakPolarHBondContact CD-OE1 3.22Å; R130-E516 IonicContact CZ-OE1 2.74Å; R130-E516 IonicContact NE-OE1 3.7Å; R130-E516 PolarHBondContact NE-OE1 2.86Å; R130-E516 IonicContact NH1-OE1 3.69Å; R130-E516 PolarHBondContact NH1-OE1 2.95Å
131L91.1Very high90.5Very high2 Ų252.5 Ų52.51%0.0128%0.283CS..Hα-helixtrans-63.3-42.6178.9-66176.4000111.4L125 N127 A128 K133 K134 L135 L154 E179 A180L125-L131 HydrophobicContact CD1-CD1 3.85Å; N127-L131 PolarHBondContact O-N 3.35Å; N127-L131 VanDerWaalsContact O-N 3.14Å; N127-L131 WeakPolarHBondContact OD1-CD1 3.24Å; A128-L131 PolarHBondContact O-N 2.96Å; L131-K133 PolarHBondContact O-N 3.01Å; L131-K134 WeakPolarHBondContact O-CB 3.37Å; L131-K134 PolarHBondContact O-N 2.71Å; L131-K134 VanDerWaalsContact O-N 3.16Å; L131-L135 PolarHBondContact O-N 2.81Å; L131-L154 HydrophobicContact CB-CD1 4.32Å; L131-L154 HydrophobicContact CD1-CD1 3.98Å; L131-L154 HydrophobicContact CD2-CD1 4.22Å; L131-L154 HydrophobicContact CG-CD1 4.4Å; L131-E179 HydrophobicContact CD2-CB 4.16Å; L131-A180 HydrophobicContact CD1-CB 4.24Å
132R91.4Very high90.2Very high90 Ų9053.7 Ų53.734%0.3429%0.29SS..Hα-helixtrans-55.4-49.7173.1-166.2-176-179.2101.15.7111.6A128 K134 L135 L136 L142 T144 M150A128-R132 VanDerWaalsContact O-CB 3.31Å; A128-R132 WeakPolarHBondContact O-CB 3.33Å; A128-R132 PolarHBondContact O-N 3Å; R132-K134 VanDerWaalsContact C-N 3.3Å; R132-K134 PolarHBondContact O-N 3.34Å; R132-L135 PolarHBondContact O-N 3.29Å; R132-L136 HydrophobicContact CG-CD1 4.12Å; R132-L136 WeakPolarHBondContact O-CG 3.3Å; R132-L136 PolarHBondContact O-N 3.49Å; R132-L142 HydrophobicContact CG-CD1 3.67Å; R132-T144 PolarHBondContact NH1-O 3.28Å; R132-M150 HydrophobicContact CB-SD 3.61Å; R132-M150 HydrophobicContact CG-SD 4.04Å
133K91.8Very high89.9Confident121 Ų12158.5 Ų58.553%0.52632%0.323SS..Hα-helixtrans-63.5-36.7179.4-169.1176.6-172.3177.10111.9A129 R130 L131 R137A129-K133 PolarHBondContact O-N 2.92Å; A129-K133 VanDerWaalsContact O-N 3.1Å; R130-K133 PolarHBondContact O-N 3.07Å; L131-K133 PolarHBondContact O-N 3.01Å; K133-R137 WeakPolarHBondContact O-CB 3.24Å; K133-R137 VanDerWaalsContact O-CG 3.25Å; K133-R137 WeakPolarHBondContact O-CG 3.23Å; K133-R137 PolarHBondContact O-N 2.78Å; K133-R137 VanDerWaalsContact O-N 3.07Å
134K90.2Very high89.7Confident59 Ų5958.7 Ų58.726%0.25732%0.322SS..Hα-helixtrans-62.2-50.8174.6-179.3-179.5172.1-179.30111R130 L131 R132 R137 H138 E179R130-K134 PolarHBondContact O-N 3.24Å; L131-K134 WeakPolarHBondContact O-CB 3.37Å; L131-K134 PolarHBondContact O-N 2.71Å; L131-K134 VanDerWaalsContact O-N 3.16Å; R132-K134 VanDerWaalsContact C-N 3.3Å; R132-K134 PolarHBondContact O-N 3.34Å; K134-R137 PolarHBondContact O-N 2.72Å; K134-H138 PolarHBondContact O-N 3.37Å; K134-H138 PolarHBondContact O-ND1 3.15Å; K134-E179 IonicContact NZ-OE1 3.14Å; K134-E179 PolarHBondContact NZ-OE1 3.37Å; K134-E179 IonicContact NZ-OE2 3.83Å; K134-E179 PolarHBondContact NZ-OE2 2.72Å
135L90.5Very high89.1Confident3 Ų360 Ų602%0.01633%0.334CS..Hα-helixtrans-59.3-49179.2-70.4173.5000111.8L131 R132 R137 H138 G139 I140 L142 M150 Q153 L154L131-L135 PolarHBondContact O-N 2.81Å; R132-L135 PolarHBondContact O-N 3.29Å; L135-R137 VanDerWaalsContact C-N 3.31Å; L135-R137 PolarHBondContact O-N 3.36Å; L135-H138 CarbonylContact O-C 3.55Å; L135-H138 PolarHBondContact O-N 2.96Å; L135-G139 PolarHBondContact O-N 3.26Å; L135-I140 HydrophobicContact CB-CB 4.32Å; L135-I140 HydrophobicContact CD2-CD1 3.65Å; L135-I140 PolarHBondContact O-N 3.3Å; L135-I140 VanDerWaalsContact O-N 3.17Å; L135-L142 HydrophobicContact CD1-CD2 4.24Å; L135-M150 HydrophobicContact CD1-CB 4.05Å; L135-M150 HydrophobicContact CD1-CG 4.26Å; L135-Q153 HydrophobicContact CD1-CB 4.08Å; L135-Q153 HydrophobicContact CD2-CB 4.24Å; L135-L154 HydrophobicContact CD1-CG 4.25Å; L135-L154 HydrophobicContact CD2-CD2 3.8Å; L135-L154 HydrophobicContact CD2-CG 4.12Å; L135-L154 HydrophobicContact CG-CD2 4.19Å; L135-L154 HydrophobicContact CG-CG 4.42Å
136L91.3Very high88.9Confident89 Ų8960.3 Ų60.347%0.46634%0.337SS..Hα-helixtrans-62.5-36.2-179.9-67.6172.9000112.6R132 H138 G139R132-L136 HydrophobicContact CG-CD1 4.12Å; R132-L136 WeakPolarHBondContact O-CG 3.3Å; R132-L136 PolarHBondContact O-N 3.49Å; L136-H138 PolarHBondContact O-N 2.7Å; L136-G139 PolarHBondContact O-N 2.91Å; L136-G139 VanDerWaalsContact O-N 3.08Å
137R90.1Very high88.8Confident188 Ų18860.1 Ų60.171%0.70934%0.335SS*.Hα-helixtrans-65.3-26.2174.7-81174170.3177.2-7.5113.3K133 K134 L135 G139K133-R137 WeakPolarHBondContact O-CB 3.24Å; K133-R137 VanDerWaalsContact O-CG 3.25Å; K133-R137 WeakPolarHBondContact O-CG 3.23Å; K133-R137 PolarHBondContact O-N 2.78Å; K133-R137 VanDerWaalsContact O-N 3.07Å; K134-R137 PolarHBondContact O-N 2.72Å; L135-R137 VanDerWaalsContact C-N 3.31Å; L135-R137 PolarHBondContact O-N 3.36Å; R137-G139 VanDerWaalsContact C-N 3.27Å
138H87.4Confident88.8Confident100 Ų10060 Ų6046%0.46333%0.334SS..THydrogen-bonded Turntrans-88.88.2174.8-68.984.1000112.7K134 L135 L136 I140 Y157K134-H138 PolarHBondContact O-N 3.37Å; K134-H138 PolarHBondContact O-ND1 3.15Å; L135-H138 CarbonylContact O-C 3.55Å; L135-H138 PolarHBondContact O-N 2.96Å; L136-H138 PolarHBondContact O-N 2.7Å; H138-I140 VanDerWaalsContact C-N 3.32Å; H138-I140 PolarHBondContact O-N 3.45Å; H138-Y157 HydrophobicContact CB-CE2 4.5Å; H138-Y157 AromaticContact CD2-CE2 3.98Å; H138-Y157 PolarHBondContact NE2-OH 3.47Å
139G88.5Confident88.9Confident68 Ų6859.4 Ų59.470%0.70133%0.328SS*.THydrogen-bonded Turntrans79.110.4178.200000114.6L135 L136 R137 G141L135-G139 PolarHBondContact O-N 3.26Å; L136-G139 PolarHBondContact O-N 2.91Å; L136-G139 VanDerWaalsContact O-N 3.08Å; R137-G139 VanDerWaalsContact C-N 3.27Å; G139-G141 PolarHBondContact O-N 3.14Å
140I89.1Confident89Confident34 Ų3455.8 Ų55.817%0.17430%0.297CS..  trans-81.7111.2177.4-59169.3000108.7L135 H138 Q153 Y157L135-I140 HydrophobicContact CB-CB 4.32Å; L135-I140 HydrophobicContact CD2-CD1 3.65Å; L135-I140 PolarHBondContact O-N 3.3Å; L135-I140 VanDerWaalsContact O-N 3.17Å; H138-I140 VanDerWaalsContact C-N 3.32Å; H138-I140 PolarHBondContact O-N 3.45Å; I140-Q153 HydrophobicContact CG2-CB 4.12Å; I140-Q153 HydrophobicContact CG2-CG 4.06Å; I140-Y157 HydrophobicContact CD1-CD2 4Å
141G87.4Confident89.1Confident54 Ų5450 Ų5056%0.55728%0.275SS*.  trans-72.6138174.700000111.8G139G139-G141 PolarHBondContact O-N 3.14Å
142L89.1Confident89.2Confident29 Ų2949.9 Ų49.915%0.15228%0.275CS..  trans-110.9131.5173.2-63.2171000108.6R132 L135 E149 M150 Q153R132-L142 HydrophobicContact CG-CD1 3.67Å; L135-L142 HydrophobicContact CD1-CD2 4.24Å; L142-E149 HydrophobicContact CD2-CG 4.05Å; L142-M150 HydrophobicContact CD1-CG 4.02Å; L142-M150 HydrophobicContact CD1-SD 4.41Å; L142-M150 HydrophobicContact CD2-CG 4.31Å; L142-Q153 HydrophobicContact CD2-CG 3.95Å
143S87.4Confident89.2Confident100 Ų10047.1 Ų47.170%0.69927%0.266SS*.SBendtrans-89.9-20.5-179.8-59.80000111.7E149S143-E149 PolarHBondContact N-OE1 3.25Å; S143-E149 PolarHBondContact N-OE2 3.46Å
144T85.6Confident89.1Confident15 Ų1541.8 Ų41.89%0.09224%0.243CC..SBendtrans-127.4177.1-174.180.10000112.3E103 N104 F108 R132 S146 E149E103-T144 HydrophobicContact CB-CG2 4.18Å; N104-T144 WeakPolarHBondContact OD1-CB 3.41Å; F108-T144 HydrophobicContact CE1-CG2 4.03Å; F108-T144 HydrophobicContact CZ-CG2 4.29Å; R132-T144 PolarHBondContact NH1-O 3.28Å; T144-S146 WeakPolarHBondContact OG1-CB 3.47Å; T144-S146 PolarHBondContact OG1-N 3.43Å; T144-S146 VanDerWaalsContact OG1-N 3.08Å; T144-E149 VanDerWaalsContact CA-OE2 3.31Å; T144-E149 WeakPolarHBondContact CA-OE2 3.32Å; T144-E149 VanDerWaalsContact CB-OE2 3.26Å; T144-E149 WeakPolarHBondContact CB-OE2 3.32Å; T144-E149 PolarHBondContact N-OE2 2.75Å; T144-E149 WeakPolarHBondContact OG1-CB 3.2Å; T144-E149 PolarHBondContact OG1-OE2 2.88Å
145S79.4Confident89.2Confident51 Ų5139 Ų3936%0.35723%0.231SC..SBendtrans-102.714.1168.772.10000112.4G98G98-S145 WeakPolarHBondContact CA-OG 3.28Å
146S85.6Confident89Confident12 Ų1239.9 Ų39.98%0.08424%0.238CC..  trans-85.8132.7-174.5-177.50000111.1T144 S148 E149 M150T144-S146 WeakPolarHBondContact OG1-CB 3.47Å; T144-S146 PolarHBondContact OG1-N 3.43Å; T144-S146 VanDerWaalsContact OG1-N 3.08Å; S146-S148 PolarHBondContact O-N 3.01Å; S146-S148 PolarHBondContact OG-N 3.3Å; S146-S148 PolarHBondContact OG-OG 2.95Å; S146-E149 PolarHBondContact O-N 2.79Å; S146-E149 VanDerWaalsContact O-N 3.13Å; S146-M150 PolarHBondContact O-N 3.02Å
147D87.8Confident88.4Confident15 Ų1538.6 Ų38.68%0.0823%0.228CC..Hα-helixtrans-54.4-34.3170.1-72.4-0.8000112.3L125 E149 M150 I151L125-D147 HydrophobicContact CD1-CB 4.4Å; L125-D147 HydrophobicContact CG-CB 4.15Å; L125-D147 PolarHBondContact N-OD2 2.94Å; D147-E149 VanDerWaalsContact C-N 3.32Å; D147-E149 PolarHBondContact O-N 2.8Å; D147-M150 HydrophobicContact CB-CE 4.26Å; D147-M150 CarbonylContact O-C 3.59Å; D147-M150 WeakPolarHBondContact O-CA 3.33Å; D147-M150 WeakPolarHBondContact O-CB 3.14Å; D147-M150 PolarHBondContact O-N 3.44Å; D147-M150 WeakPolarHBondContact OD1-CE 3.36Å; D147-I151 VanDerWaalsContact O-CG1 3.31Å; D147-I151 WeakPolarHBondContact O-CG1 3.45Å; D147-I151 PolarHBondContact O-N 2.84Å
148S89.9Confident87.6Confident2 Ų232.8 Ų32.81%0.01421%0.213CC..Hα-helixtrans-65.4-34-179.2-46.10000112.6Q106 H121 S146 T152Q106-S148 PolarHBondContact NE2-OG 3.46Å; Q106-S148 PolarHBondContact OE1-OG 3.27Å; H121-S148 PolarHBondContact ND1-OG 2.85Å; S146-S148 PolarHBondContact O-N 3.01Å; S146-S148 PolarHBondContact OG-N 3.3Å; S146-S148 PolarHBondContact OG-OG 2.95Å; S148-T152 WeakPolarHBondContact O-CB 3.49Å; S148-T152 PolarHBondContact O-N 2.8Å; S148-T152 PolarHBondContact O-OG1 2.91Å
149E91.5Very high86.7Confident12 Ų1228.1 Ų28.16%0.05619%0.192CC..Hα-helixtrans-66.6-44.8170.5-174.6-175.8-161.100110.3F108 L142 S143 T144 S146 D147 I151 T152 Q153F108-E149 HydrophobicContact CD1-CB 4.16Å; F108-E149 HydrophobicContact CD1-CG 4.47Å; F108-E149 HydrophobicContact CE1-CB 3.96Å; F108-E149 HydrophobicContact CE1-CG 4.45Å; F108-E149 HydrophobicContact CZ-CB 4.21Å; L142-E149 HydrophobicContact CD2-CG 4.05Å; S143-E149 PolarHBondContact N-OE1 3.25Å; S143-E149 PolarHBondContact N-OE2 3.46Å; T144-E149 VanDerWaalsContact CA-OE2 3.31Å; T144-E149 WeakPolarHBondContact CA-OE2 3.32Å; T144-E149 VanDerWaalsContact CB-OE2 3.26Å; T144-E149 WeakPolarHBondContact CB-OE2 3.32Å; T144-E149 PolarHBondContact N-OE2 2.75Å; T144-E149 WeakPolarHBondContact OG1-CB 3.2Å; T144-E149 PolarHBondContact OG1-OE2 2.88Å; S146-E149 PolarHBondContact O-N 2.79Å; S146-E149 VanDerWaalsContact O-N 3.13Å; D147-E149 VanDerWaalsContact C-N 3.32Å; D147-E149 PolarHBondContact O-N 2.8Å; E149-I151 VanDerWaalsContact C-N 3.35Å; E149-I151 PolarHBondContact O-N 3.2Å; E149-T152 WeakPolarHBondContact O-CB 3.44Å; E149-T152 PolarHBondContact O-N 3.32Å; E149-T152 VanDerWaalsContact O-N 3.16Å; E149-Q153 HydrophobicContact CG-CG 4.34Å; E149-Q153 VanDerWaalsContact O-CG 3.31Å; E149-Q153 WeakPolarHBondContact O-CG 3.27Å; E149-Q153 PolarHBondContact O-N 3.03Å
150M91.3Very high85.7Confident4 Ų430 Ų302%0.0219%0.192CC..Hα-helixtrans-61-43.2178.3-62.4-167.2-65.700112A128 R132 L135 L142 S146 D147 T152 Q153 L154A128-M150 HydrophobicContact CB-CE 3.71Å; R132-M150 HydrophobicContact CB-SD 3.61Å; R132-M150 HydrophobicContact CG-SD 4.04Å; L135-M150 HydrophobicContact CD1-CB 4.05Å; L135-M150 HydrophobicContact CD1-CG 4.26Å; L142-M150 HydrophobicContact CD1-CG 4.02Å; L142-M150 HydrophobicContact CD1-SD 4.41Å; L142-M150 HydrophobicContact CD2-CG 4.31Å; S146-M150 PolarHBondContact O-N 3.02Å; D147-M150 HydrophobicContact CB-CE 4.26Å; D147-M150 CarbonylContact O-C 3.59Å; D147-M150 WeakPolarHBondContact O-CA 3.33Å; D147-M150 WeakPolarHBondContact O-CB 3.14Å; D147-M150 PolarHBondContact O-N 3.44Å; D147-M150 WeakPolarHBondContact OD1-CE 3.36Å; M150-T152 VanDerWaalsContact C-N 3.32Å; M150-T152 PolarHBondContact O-N 3.23Å; M150-Q153 PolarHBondContact O-N 3.4Å; M150-L154 WeakPolarHBondContact O-CB 3.46Å; M150-L154 VanDerWaalsContact O-CG 3.26Å; M150-L154 WeakPolarHBondContact O-CG 3.23Å; M150-L154 PolarHBondContact O-N 2.74Å
151I93.6Very high84.3Confident1 Ų134.4 Ų34.41%0.00521%0.212CC..Hα-helixtrans-58.8-46.7174.7-68.2170.4000110.1V119 H121 L125 D147 E149 Q153 L154 L155 L176 L186V119-I151 HydrophobicContact CG1-CG2 4.2Å; H121-I151 HydrophobicContact CB-CD1 4.39Å; L125-I151 HydrophobicContact CD1-CD1 4.1Å; L125-I151 HydrophobicContact CD1-CG1 3.73Å; L125-I151 HydrophobicContact CD2-CD1 4.09Å; L125-I151 HydrophobicContact CD2-CG1 4.46Å; L125-I151 HydrophobicContact CG-CD1 4.2Å; L125-I151 HydrophobicContact CG-CG1 4.38Å; D147-I151 VanDerWaalsContact O-CG1 3.31Å; D147-I151 WeakPolarHBondContact O-CG1 3.45Å; D147-I151 PolarHBondContact O-N 2.84Å; E149-I151 VanDerWaalsContact C-N 3.35Å; E149-I151 PolarHBondContact O-N 3.2Å; I151-Q153 VanDerWaalsContact C-N 3.33Å; I151-Q153 PolarHBondContact O-N 2.97Å; I151-L154 PolarHBondContact O-N 3.22Å; I151-L155 HydrophobicContact CG2-CD1 4.02Å; I151-L155 WeakPolarHBondContact O-CG 3.46Å; I151-L155 PolarHBondContact O-N 3.2Å; I151-L176 HydrophobicContact CG2-CD1 4.43Å; I151-L176 HydrophobicContact CG2-CD2 3.78Å; I151-L186 HydrophobicContact CD1-CD2 4.02Å; I151-L186 HydrophobicContact CG2-CD1 4.01Å; I151-L186 HydrophobicContact CG2-CD2 4.09Å
152T93.3Very high83.2Confident0 Ų033.4 Ų33.40%019%0.192CC..Hα-helixtrans-61-43.1178.9-51.90000111.4F108 V110 I117 V119 S148 E149 M150 L155 A156F108-T152 HydrophobicContact CB-CG2 4.45Å; V110-T152 HydrophobicContact CB-CG2 3.8Å; V110-T152 HydrophobicContact CG2-CG2 3.49Å; V110-T152 VanDerWaalsContact CG2-CG2 3.49Å; I117-T152 HydrophobicContact CD1-CG2 3.88Å; I117-T152 HydrophobicContact CG1-CG2 4.15Å; V119-T152 WeakPolarHBondContact CB-OG1 3.38Å; V119-T152 HydrophobicContact CG2-CG2 3.98Å; S148-T152 WeakPolarHBondContact O-CB 3.49Å; S148-T152 PolarHBondContact O-N 2.8Å; S148-T152 PolarHBondContact O-OG1 2.91Å; E149-T152 WeakPolarHBondContact O-CB 3.44Å; E149-T152 PolarHBondContact O-N 3.32Å; E149-T152 VanDerWaalsContact O-N 3.16Å; M150-T152 VanDerWaalsContact C-N 3.32Å; M150-T152 PolarHBondContact O-N 3.23Å; T152-L155 PolarHBondContact O-N 3.37Å; T152-A156 PolarHBondContact O-N 3.15Å
153Q92Very high81.6Confident33 Ų3340.7 Ų40.715%0.15423%0.226CC..Hα-helixtrans-69.7-36177.8-66.2-62.2-13.400112.8L135 I140 L142 E149 M150 I151 L155 A156 Y157L135-Q153 HydrophobicContact CD1-CB 4.08Å; L135-Q153 HydrophobicContact CD2-CB 4.24Å; I140-Q153 HydrophobicContact CG2-CB 4.12Å; I140-Q153 HydrophobicContact CG2-CG 4.06Å; L142-Q153 HydrophobicContact CD2-CG 3.95Å; E149-Q153 HydrophobicContact CG-CG 4.34Å; E149-Q153 VanDerWaalsContact O-CG 3.31Å; E149-Q153 WeakPolarHBondContact O-CG 3.27Å; E149-Q153 PolarHBondContact O-N 3.03Å; M150-Q153 PolarHBondContact O-N 3.4Å; I151-Q153 VanDerWaalsContact C-N 3.33Å; I151-Q153 PolarHBondContact O-N 2.97Å; Q153-L155 VanDerWaalsContact C-N 3.33Å; Q153-A156 PolarHBondContact O-N 3.46Å; Q153-Y157 WeakPolarHBondContact O-CB 3.46Å; Q153-Y157 PolarHBondContact O-N 3.19Å
154L90.8Very high80.3Confident8 Ų841.6 Ų41.64%0.04222%0.223CC..Hα-helixtrans-65.7-35.5174.3-75.2166.9000112.1L131 L135 M150 I151 Y157 L176L131-L154 HydrophobicContact CB-CD1 4.32Å; L131-L154 HydrophobicContact CD1-CD1 3.98Å; L131-L154 HydrophobicContact CD2-CD1 4.22Å; L131-L154 HydrophobicContact CG-CD1 4.4Å; L135-L154 HydrophobicContact CD1-CG 4.25Å; L135-L154 HydrophobicContact CD2-CD2 3.8Å; L135-L154 HydrophobicContact CD2-CG 4.12Å; L135-L154 HydrophobicContact CG-CD2 4.19Å; L135-L154 HydrophobicContact CG-CG 4.42Å; M150-L154 WeakPolarHBondContact O-CB 3.46Å; M150-L154 VanDerWaalsContact O-CG 3.26Å; M150-L154 WeakPolarHBondContact O-CG 3.23Å; M150-L154 PolarHBondContact O-N 2.74Å; I151-L154 PolarHBondContact O-N 3.22Å; L154-Y157 PolarHBondContact O-N 3.34Å; L154-L176 HydrophobicContact CB-CD1 4.09Å; L154-L176 HydrophobicContact CD1-CD1 3.93Å
155L90.6Very high79.3Confident0 Ų047.8 Ų47.80%026%0.255CS..Hα-helixtrans-70.5-35.7173.9-72.2167.7000111.9I117 V119 I151 T152 Q153 Y157 W169 R172 I173 L176 I188I117-L155 HydrophobicContact CD1-CB 4.2Å; V119-L155 HydrophobicContact CG2-CD1 3.99Å; I151-L155 HydrophobicContact CG2-CD1 4.02Å; I151-L155 WeakPolarHBondContact O-CG 3.46Å; I151-L155 PolarHBondContact O-N 3.2Å; T152-L155 PolarHBondContact O-N 3.37Å; Q153-L155 VanDerWaalsContact C-N 3.33Å; L155-Y157 VanDerWaalsContact C-N 3.32Å; L155-W169 HydrophobicContact CB-CZ3 4.29Å; L155-R172 PolarHBondContact O-NH1 2.82Å; L155-I173 HydrophobicContact CD2-CG1 3.92Å; L155-L176 HydrophobicContact CD1-CD2 4.3Å; L155-L176 HydrophobicContact CD2-CB 4.23Å; L155-L176 HydrophobicContact CD2-CD2 3.89Å; L155-L176 HydrophobicContact CG-CD2 4.04Å; L155-I188 HydrophobicContact CD1-CD1 3.61Å; L155-I188 HydrophobicContact CD1-CG1 4.02Å; L155-I188 HydrophobicContact CD2-CD1 4.26Å
156A86.5Confident78.7Confident22 Ų2249.9 Ų49.918%0.18227%0.266CS..Hα-helixtrans-70.3-29.1174.600000112.6T112 T152 Q153 T158 R172T112-A156 HydrophobicContact CG2-CB 3.61Å; T152-A156 PolarHBondContact O-N 3.15Å; Q153-A156 PolarHBondContact O-N 3.46Å; A156-T158 PolarHBondContact O-N 3.08Å; A156-R172 VanDerWaalsContact C-NH1 3.28Å; A156-R172 PolarHBondContact O-NH1 3.37Å
157Y78.9Confident77.9Confident63 Ų6351.1 Ų51.125%0.24727%0.274CS..SBendtrans-67.4126.3177.3-179.2-101.2000111.9H138 I140 Q153 L154 L155 P159 R172H138-Y157 HydrophobicContact CB-CE2 4.5Å; H138-Y157 AromaticContact CD2-CE2 3.98Å; H138-Y157 PolarHBondContact NE2-OH 3.47Å; I140-Y157 HydrophobicContact CD1-CD2 4Å; Q153-Y157 WeakPolarHBondContact O-CB 3.46Å; Q153-Y157 PolarHBondContact O-N 3.19Å; L154-Y157 PolarHBondContact O-N 3.34Å; L155-Y157 VanDerWaalsContact C-N 3.32Å; Y157-P159 WeakPolarHBondContact O-CD 3.35Å; Y157-R172 PolarHBondContact O-NH1 3.37Å
158T72.8Confident77.8Confident65 Ų6554 Ų5440%0.39929%0.289SS..PPolyproline II helixtrans-66.5117177.8-56.80000110.4A156 E162 R172A156-T158 PolarHBondContact O-N 3.08Å; T158-E162 HydrophobicContact CG2-CB 4Å; T158-E162 HydrophobicContact CG2-CG 4.46Å; T158-R172 PolarHBondContact OG1-NH2 3.49Å; T158-R172 VanDerWaalsContact OG1-NH2 3.14Å
159P70.4Confident77.7Confident2 Ų254.3 Ų54.31%0.01329%0.29CS..PPolyproline II helixtrans-65.8152.3177.926.3-33.2000110.6Y157 Q161 E162 R172 N175Y157-P159 WeakPolarHBondContact O-CD 3.35Å; P159-Q161 PolarHBondContact O-N 3.22Å; P159-E162 WeakPolarHBondContact CD-OE2 3.47Å; P159-E162 HydrophobicContact CG-CB 4.07Å; P159-E162 PolarHBondContact O-N 3.05Å; P159-E162 VanDerWaalsContact O-N 3.14Å; P159-R172 HydrophobicContact CG-CG 4Å; P159-N175 HydrophobicContact CB-CB 4.06Å
160P66.9Low77.6Confident108 Ų10855 Ų5570%0.70130%0.295SS*.THydrogen-bonded Turntrans-59.1-12.9-178.7-2433.3000115.5
161Q59.3Low77.4Confident127 Ų12755.7 Ų55.759%0.59330%0.302SS*.THydrogen-bonded Turntrans-97.3-12-173.5-65.5154.9-9.300112.7P159 Q163P159-Q161 PolarHBondContact O-N 3.22Å; Q161-Q163 PolarHBondContact O-N 3.18Å
162E64.2Low77.3Confident32 Ų3255.9 Ų55.915%0.1530%0.302CS..  trans-82.9112.5178.1-165.3169.3-153.300108.4T158 P159 D168 R172T158-E162 HydrophobicContact CG2-CB 4Å; T158-E162 HydrophobicContact CG2-CG 4.46Å; P159-E162 WeakPolarHBondContact CD-OE2 3.47Å; P159-E162 HydrophobicContact CG-CB 4.07Å; P159-E162 PolarHBondContact O-N 3.05Å; P159-E162 VanDerWaalsContact O-N 3.14Å; E162-D168 PolarHBondContact OE1-N 2.83Å; E162-R172 IonicContact OE1-NE 3.59Å; E162-R172 PolarHBondContact OE1-NE 2.9Å; E162-R172 IonicContact OE1-NH2 3.81Å; E162-R172 IonicContact OE2-CZ 2.68Å; E162-R172 IonicContact OE2-NE 3.94Å; E162-R172 PolarHBondContact OE2-NE 3.31Å; E162-R172 IonicContact OE2-NH2 3.75Å; E162-R172 PolarHBondContact OE2-NH2 3.23Å
163Q56.5Low77.3Confident183 Ų18355.9 Ų55.986%0.85530%0.302SS*.  trans-100.2-16.4-176-66.7-177.9-3.700113Q161Q161-Q163 PolarHBondContact O-N 3.18Å
164D60Low77.3Confident119 Ų11957.6 Ų57.664%0.63631%0.309SS*.SBendtrans-116.1154.6-175.3-69.7-28000111.8T166D164-T166 PolarHBondContact O-N 2.84Å; D164-T166 VanDerWaalsContact O-N 3.1Å
165D63.8Low77.3Confident144 Ų14458 Ų5877%0.7731%0.312SS*.SBendtrans-71.23.8176-77.1-31.4000113.9H114H114-D165 PolarHBondContact CE1-O 2.91Å; H114-D165 VanDerWaalsContact CE1-O 3.3Å; H114-D165 PolarHBondContact ND1-O 2.81Å
166T66.1Low77.4Confident96 Ų9658.2 Ų58.259%0.58931%0.313SS*.SBendtrans-86.8127.5175.745.20000111.1D164 D168D164-T166 PolarHBondContact O-N 2.84Å; D164-T166 VanDerWaalsContact O-N 3.1Å; T166-D168 PolarHBondContact O-N 2.85Å; T166-D168 VanDerWaalsContact O-N 3.15Å
167P69.9Low77.7Confident37 Ų3757.4 Ų57.424%0.2431%0.305CS..  trans-63.5116.9-18022.2-29.9000111.7H114H114-P167 HydrophobicContact CB-CB 3.64Å; H114-P167 HydrophobicContact CB-CG 3.88Å; H114-P167 VanDerWaalsContact CG-CB 3.48Å
168D85.3Confident78.2Confident76 Ų7662 Ų6241%0.40633%0.326SS..  trans-98.784.9161.8-170.4-14.6000109.9E162 T166 V170 A171 R172E162-D168 PolarHBondContact OE1-N 2.83Å; T166-D168 PolarHBondContact O-N 2.85Å; T166-D168 VanDerWaalsContact O-N 3.15Å; D168-V170 PolarHBondContact O-N 2.52Å; D168-V170 PolarHBondContact OD1-N 3.08Å; D168-V170 VanDerWaalsContact OD1-N 3.14Å; D168-A171 HydrophobicContact CB-CB 3.86Å; D168-A171 PolarHBondContact O-N 2.83Å; D168-A171 PolarHBondContact OD1-N 2.82Å; D168-A171 WeakPolarHBondContact OD2-CB 3.21Å; D168-R172 WeakPolarHBondContact O-CG 3.45Å; D168-R172 PolarHBondContact O-N 2.83Å
169W87.6Confident79Confident9 Ų960.2 Ų60.23%0.03431%0.313CS..Hα-helixtrans-62.8-31.5178.1-75.8112.6000112.7T112 H114 I117 L155 R172 I173 H190 Y195T112-W169 HydrophobicContact CG2-CH2 4.38Å; H114-W169 HydrophobicContact CB-CZ2 4.33Å; I117-W169 HydrophobicContact CB-CH2 4.45Å; I117-W169 HydrophobicContact CD1-CH2 4.1Å; I117-W169 HydrophobicContact CD1-CZ3 4.28Å; I117-W169 HydrophobicContact CG2-CH2 3.22Å; I117-W169 HydrophobicContact CG2-CZ2 3.4Å; I117-W169 HydrophobicContact CG2-CZ3 3.94Å; L155-W169 HydrophobicContact CB-CZ3 4.29Å; W169-R172 HydrophobicContact CE3-CB 4.33Å; W169-R172 PolarHBondContact O-N 3.14Å; W169-I173 WeakPolarHBondContact O-CB 3.5Å; W169-I173 WeakPolarHBondContact O-CD1 3.37Å; W169-I173 WeakPolarHBondContact O-CG1 2.81Å; W169-I173 PolarHBondContact O-N 3.04Å; W169-H190 AromaticContact CD1-CE1 3.84Å; W169-H190 AromaticContact CD1-ND1 3.59Å; W169-H190 AromaticContact CE2-CD2 3.73Å; W169-H190 AromaticContact CE2-CE1 4Å; W169-H190 AromaticContact CE2-CG 3.81Å; W169-H190 AromaticContact CE2-NE2 3.84Å; W169-H190 AromaticContact CZ2-CD2 3.63Å; W169-H190 AromaticContact CZ2-NE2 3.84Å; W169-H190 AromaticContact NE1-CD2 3.5Å; W169-H190 PolarHBondContact NE1-CD2 2.89Å; W169-H190 AromaticContact NE1-CE1 3.04Å; W169-H190 PolarHBondContact NE1-CE1 3.18Å; W169-H190 AromaticContact NE1-CG 3.35Å; W169-H190 AromaticContact NE1-ND1 3.08Å; W169-H190 PolarHBondContact NE1-ND1 3.01Å; W169-H190 AromaticContact NE1-NE2 3.29Å; W169-H190 PolarHBondContact NE1-NE2 3.44Å; W169-Y195 HydrophobicContact CB-CE2 4.16Å; W169-Y195 HydrophobicContact CG-CE2 4.41Å
170V89.1Confident80Confident26 Ų2660.1 Ų60.116%0.15831%0.313CS..Hα-helixtrans-66.6-48.5176.7-173.70000108.9D168 R172 I173 K174 I255 L266D168-V170 PolarHBondContact O-N 2.52Å; D168-V170 PolarHBondContact OD1-N 3.08Å; D168-V170 VanDerWaalsContact OD1-N 3.14Å; V170-R172 VanDerWaalsContact C-N 3.31Å; V170-R172 PolarHBondContact O-N 2.82Å; V170-I173 PolarHBondContact O-N 3.02Å; V170-K174 HydrophobicContact CG1-CD 4.23Å; V170-K174 HydrophobicContact CG1-CG 4.39Å; V170-K174 WeakPolarHBondContact O-CB 3.36Å; V170-K174 WeakPolarHBondContact O-CG 3.36Å; V170-K174 PolarHBondContact O-N 2.81Å; V170-I255 HydrophobicContact CG1-CD1 4.24Å; V170-L266 HydrophobicContact CG2-CB 4.31Å; V170-L266 HydrophobicContact CG2-CD1 3.49Å; V170-L266 VanDerWaalsContact CG2-CD1 3.49Å
171A88.4Confident80.9Confident19 Ų1956.7 Ų56.716%0.15729%0.291CS..Hα-helixtrans-59.5-39.6175.200000112.8D168 K174 N175D168-A171 HydrophobicContact CB-CB 3.86Å; D168-A171 PolarHBondContact O-N 2.83Å; D168-A171 PolarHBondContact OD1-N 2.82Å; D168-A171 WeakPolarHBondContact OD2-CB 3.21Å; A171-K174 PolarHBondContact O-N 3.14Å; A171-N175 WeakPolarHBondContact O-CB 3.39Å; A171-N175 PolarHBondContact O-N 2.9Å
172R91.2Very high82.4Confident4 Ų450.7 Ų50.72%0.01526%0.262CS..Hα-helixtrans-62.4-45.9175-73.3166.4175-93.7-1.5112.1H114 L155 A156 Y157 T158 P159 E162 D168 W169 V170 N175 L176H114-R172 PolarHBondContact NE2-NH2 3.03Å; H114-R172 VanDerWaalsContact NE2-NH2 3.12Å; L155-R172 PolarHBondContact O-NH1 2.82Å; A156-R172 VanDerWaalsContact C-NH1 3.28Å; A156-R172 PolarHBondContact O-NH1 3.37Å; Y157-R172 PolarHBondContact O-NH1 3.37Å; T158-R172 PolarHBondContact OG1-NH2 3.49Å; T158-R172 VanDerWaalsContact OG1-NH2 3.14Å; P159-R172 HydrophobicContact CG-CG 4Å; E162-R172 IonicContact OE1-NE 3.59Å; E162-R172 PolarHBondContact OE1-NE 2.9Å; E162-R172 IonicContact OE1-NH2 3.81Å; E162-R172 IonicContact OE2-CZ 2.68Å; E162-R172 IonicContact OE2-NE 3.94Å; E162-R172 PolarHBondContact OE2-NE 3.31Å; E162-R172 IonicContact OE2-NH2 3.75Å; E162-R172 PolarHBondContact OE2-NH2 3.23Å; D168-R172 WeakPolarHBondContact O-CG 3.45Å; D168-R172 PolarHBondContact O-N 2.83Å; W169-R172 HydrophobicContact CE3-CB 4.33Å; W169-R172 PolarHBondContact O-N 3.14Å; V170-R172 VanDerWaalsContact C-N 3.31Å; V170-R172 PolarHBondContact O-N 2.82Å; R172-N175 PolarHBondContact O-N 3.4Å; R172-L176 PolarHBondContact O-N 3.22Å
173I93.7Very high83.7Confident0 Ų049.1 Ų49.10%026%0.255CS..Hα-helixtrans-63.5-44.5175.8-67.4164.2000110.2L155 W169 V170 N175 L176 M177 I188 Y195 V197 I255L155-I173 HydrophobicContact CD2-CG1 3.92Å; W169-I173 WeakPolarHBondContact O-CB 3.5Å; W169-I173 WeakPolarHBondContact O-CD1 3.37Å; W169-I173 WeakPolarHBondContact O-CG1 2.81Å; W169-I173 PolarHBondContact O-N 3.04Å; V170-I173 PolarHBondContact O-N 3.02Å; I173-N175 VanDerWaalsContact C-N 3.32Å; I173-N175 PolarHBondContact O-N 3.2Å; I173-L176 WeakPolarHBondContact O-CB 3.48Å; I173-L176 PolarHBondContact O-N 3.34Å; I173-M177 HydrophobicContact CG2-CG 4.35Å; I173-M177 HydrophobicContact CG2-SD 3.94Å; I173-M177 VanDerWaalsContact O-CG 3.27Å; I173-M177 WeakPolarHBondContact O-CG 3.42Å; I173-M177 PolarHBondContact O-N 2.78Å; I173-I188 HydrophobicContact CD1-CD1 3.91Å; I173-I188 HydrophobicContact CG1-CD1 3.81Å; I173-Y195 HydrophobicContact CD1-CD1 4.25Å; I173-Y195 HydrophobicContact CD1-CD2 4.38Å; I173-Y195 HydrophobicContact CD1-CG 3.97Å; I173-V197 HydrophobicContact CD1-CG2 4.25Å; I173-V197 HydrophobicContact CG2-CB 4.48Å; I173-V197 HydrophobicContact CG2-CG1 3.87Å; I173-V197 HydrophobicContact CG2-CG2 3.82Å; I173-I255 HydrophobicContact CB-CD1 4.09Å; I173-I255 HydrophobicContact CD1-CG2 4.15Å; I173-I255 HydrophobicContact CG2-CD1 3.53Å; I173-I255 HydrophobicContact CG2-CG1 3.78Å; I173-I255 HydrophobicContact CG2-CG2 4.33Å
174K91.7Very high85.5Confident69 Ų6940.4 Ų40.430%0.321%0.214SC..Hα-helixtrans-59.1-42.6175.6-69.6177170.4169.10112.4V170 A171 M177 K178 I255 D267 I269V170-K174 HydrophobicContact CG1-CD 4.23Å; V170-K174 HydrophobicContact CG1-CG 4.39Å; V170-K174 WeakPolarHBondContact O-CB 3.36Å; V170-K174 WeakPolarHBondContact O-CG 3.36Å; V170-K174 PolarHBondContact O-N 2.81Å; A171-K174 PolarHBondContact O-N 3.14Å; K174-M177 PolarHBondContact O-N 2.92Å; K174-K178 PolarHBondContact O-N 3.09Å; K174-I255 HydrophobicContact CG-CD1 3.83Å; K174-D267 WeakPolarHBondContact CE-OD2 3.45Å; K174-D267 IonicContact NZ-OD2 2.98Å; K174-D267 PolarHBondContact NZ-OD2 2.81Å; K174-I269 HydrophobicContact CD-CD1 4.27Å; K174-I269 HydrophobicContact CG-CD1 3.89Å; K174-I269 HydrophobicContact CG-CG1 4.3Å
175N90.7Very high87.3Confident18 Ų1834.8 Ų34.810%0.09618%0.184CC..Hα-helixtrans-63.9-43.8176.7-174.271.5000111.1P159 A171 R172 I173 M177 K178 E179P159-N175 HydrophobicContact CB-CB 4.06Å; A171-N175 WeakPolarHBondContact O-CB 3.39Å; A171-N175 PolarHBondContact O-N 2.9Å; R172-N175 PolarHBondContact O-N 3.4Å; I173-N175 VanDerWaalsContact C-N 3.32Å; I173-N175 PolarHBondContact O-N 3.2Å; N175-M177 VanDerWaalsContact C-N 3.31Å; N175-M177 PolarHBondContact O-N 2.96Å; N175-K178 PolarHBondContact O-N 2.63Å; N175-E179 PolarHBondContact ND2-OE1 3.19Å; N175-E179 WeakPolarHBondContact O-CG 3.26Å; N175-E179 PolarHBondContact O-N 3.15Å
176L92.9Very high88.9Confident4 Ų427.9 Ų27.92%0.02115%0.147CC..Hα-helixtrans-55.2-47.8171.6172.869.9000110.8I151 L154 L155 R172 I173 K178 E179 A180 L186I151-L176 HydrophobicContact CG2-CD1 4.43Å; I151-L176 HydrophobicContact CG2-CD2 3.78Å; L154-L176 HydrophobicContact CB-CD1 4.09Å; L154-L176 HydrophobicContact CD1-CD1 3.93Å; L155-L176 HydrophobicContact CD1-CD2 4.3Å; L155-L176 HydrophobicContact CD2-CB 4.23Å; L155-L176 HydrophobicContact CD2-CD2 3.89Å; L155-L176 HydrophobicContact CG-CD2 4.04Å; R172-L176 PolarHBondContact O-N 3.22Å; I173-L176 WeakPolarHBondContact O-CB 3.48Å; I173-L176 PolarHBondContact O-N 3.34Å; L176-K178 VanDerWaalsContact C-N 3.27Å; L176-K178 PolarHBondContact O-N 3.45Å; L176-E179 PolarHBondContact O-N 3Å; L176-E179 VanDerWaalsContact O-N 3.11Å; L176-A180 HydrophobicContact CD1-CB 4.29Å; L176-A180 WeakPolarHBondContact O-CB 3.47Å; L176-A180 PolarHBondContact O-N 3.15Å; L176-L186 HydrophobicContact CD2-CD1 3.7Å
177M92.6Very high90.4Very high4 Ų423.3 Ų23.32%0.0212%0.119CC..Hα-helixtrans-65.4-30-178.5-64.2173.681.200113.8I173 K174 N175 A180 Y184 V197 R198 P200 G253 I255 I269I173-M177 HydrophobicContact CG2-CG 4.35Å; I173-M177 HydrophobicContact CG2-SD 3.94Å; I173-M177 VanDerWaalsContact O-CG 3.27Å; I173-M177 WeakPolarHBondContact O-CG 3.42Å; I173-M177 PolarHBondContact O-N 2.78Å; K174-M177 PolarHBondContact O-N 2.92Å; N175-M177 VanDerWaalsContact C-N 3.31Å; N175-M177 PolarHBondContact O-N 2.96Å; M177-A180 VanDerWaalsContact O-O 3.1Å; M177-Y184 VanDerWaalsContact CA-OH 3.25Å; M177-Y184 WeakPolarHBondContact CA-OH 3.37Å; M177-Y184 HydrophobicContact CG-CE2 4.44Å; M177-Y184 WeakPolarHBondContact CG-OH 3.32Å; M177-V197 HydrophobicContact CE-CG1 4.11Å; M177-V197 HydrophobicContact CG-CG1 4.39Å; M177-V197 HydrophobicContact SD-CG1 3.76Å; M177-R198 VanDerWaalsContact CE-O 3.24Å; M177-R198 WeakPolarHBondContact CE-O 3.36Å; M177-P200 HydrophobicContact CE-CG 4.13Å; M177-G253 WeakPolarHBondContact CE-O 3.21Å; M177-I255 HydrophobicContact SD-CD1 3.96Å; M177-I255 HydrophobicContact SD-CG1 3.86Å; M177-I269 HydrophobicContact CE-CB 4.03Å; M177-I269 HydrophobicContact CE-CG1 4.2Å; M177-I269 HydrophobicContact SD-CB 4.42Å; M177-I269 HydrophobicContact SD-CG1 3.95Å
178K89.7Confident91.8Very high161 Ų16121.6 Ų21.670%0.711%0.108SC*.Hα-helixtrans-72.1-37.8172.7-174177.9-179.8178.70112.1K174 N175 L176K174-K178 PolarHBondContact O-N 3.09Å; N175-K178 PolarHBondContact O-N 2.63Å; L176-K178 VanDerWaalsContact C-N 3.27Å; L176-K178 PolarHBondContact O-N 3.45Å
179E89.9Confident92.3Very high27 Ų2718 Ų1813%0.1269%0.089CC..Hα-helixtrans-81.1-32.9-178.4-71.3-167.8-152.900113.3N127 R130 L131 K134 N175 L176N127-E179 PolarHBondContact ND2-O 3.35Å; R130-E179 PolarHBondContact NH2-O 3.48Å; L131-E179 HydrophobicContact CD2-CB 4.16Å; K134-E179 IonicContact NZ-OE1 3.14Å; K134-E179 PolarHBondContact NZ-OE1 3.37Å; K134-E179 IonicContact NZ-OE2 3.83Å; K134-E179 PolarHBondContact NZ-OE2 2.72Å; N175-E179 PolarHBondContact ND2-OE1 3.19Å; N175-E179 WeakPolarHBondContact O-CG 3.26Å; N175-E179 PolarHBondContact O-N 3.15Å; L176-E179 PolarHBondContact O-N 3Å; L176-E179 VanDerWaalsContact O-N 3.11Å
180A91.3Very high92.5Very high0 Ų017.8 Ų17.80%09%0.088CC..  trans-116.999.7-179.900000109.4L125 L131 L176 M177 Y184L125-A180 HydrophobicContact CD2-CB 4Å; L131-A180 HydrophobicContact CD1-CB 4.24Å; L176-A180 HydrophobicContact CD1-CB 4.29Å; L176-A180 WeakPolarHBondContact O-CB 3.47Å; L176-A180 PolarHBondContact O-N 3.15Å; M177-A180 VanDerWaalsContact O-O 3.1Å; A180-Y184 HydrophobicContact CB-CE1 3.89Å; A180-Y184 WeakPolarHBondContact O-CE1 3.19Å; A180-Y184 PolarHBondContact O-OH 3.48Å
181P85.8Confident92.5Very high36 Ų3621.5 Ų21.523%0.23410%0.099CC..  trans-76.5-32.7-169.328.5-35000114V126 P200 V513V126-P181 HydrophobicContact CG2-CG 4.12Å; P181-P200 WeakPolarHBondContact O-CD 3.21Å; P181-V513 HydrophobicContact CB-CG1 4.08Å; P181-V513 HydrophobicContact CG-CG1 4.25Å
182T89.6Confident92.7Very high0 Ų024 Ų240%011%0.11CC..SBendtrans-170.9162.3179.1-156.90000107.8V126 D199 M428 V513V126-T182 HydrophobicContact CG1-CG2 4.21Å; T182-D199 PolarHBondContact OG1-OD1 2.78Å; T182-M428 HydrophobicContact CG2-CG 4.34Å; T182-M428 HydrophobicContact CG2-SD 4.38Å; T182-V513 HydrophobicContact CG2-CB 4.39Å; T182-V513 HydrophobicContact CG2-CG1 3.81Å; T182-V513 HydrophobicContact CG2-CG2 3.62Å
183A92.4Very high92.9Very high0 Ų024.4 Ų24.40%011%0.113CC..  cis-121.4124.8-1.600000109.4G123 E124 N203 R204 M428G123-A183 CarbonylContact C-O 3.47Å; G123-A183 WeakPolarHBondContact CA-O 3.37Å; E124-A183 PolarHBondContact N-O 2.91Å; E124-A183 PolarHBondContact O-N 3.35Å; E124-A183 VanDerWaalsContact O-N 3.11Å; A183-N203 HydrophobicContact CB-CB 3.61Å; A183-N203 WeakPolarHBondContact CB-OD1 3.44Å; A183-R204 HydrophobicContact CB-CG 4.42Å; A183-M428 HydrophobicContact CB-CB 3.58Å; A183-M428 HydrophobicContact CB-CG 3.99Å; A183-M428 WeakPolarHBondContact CB-O 3.39Å
184Y94.4Very high93.1Very high0 Ų024.5 Ų24.50%011%0.113CC..EExtended strand (participates in β ladder)trans-157.2147.2-179.253-96.3000113.5H121 N122 L125 M177 A180 L186 D199H121-Y184 WeakPolarHBondContact NE2-CB 3.22Å; N122-Y184 CarbonylContact O-C 3.53Å; N122-Y184 VanDerWaalsContact O-CA 3.3Å; N122-Y184 WeakPolarHBondContact O-CA 3.49Å; L125-Y184 HydrophobicContact CD2-CD1 3.7Å; L125-Y184 HydrophobicContact CD2-CE1 4.24Å; M177-Y184 VanDerWaalsContact CA-OH 3.25Å; M177-Y184 WeakPolarHBondContact CA-OH 3.37Å; M177-Y184 HydrophobicContact CG-CE2 4.44Å; M177-Y184 WeakPolarHBondContact CG-OH 3.32Å; A180-Y184 HydrophobicContact CB-CE1 3.89Å; A180-Y184 WeakPolarHBondContact O-CE1 3.19Å; A180-Y184 PolarHBondContact O-OH 3.48Å; Y184-L186 HydrophobicContact CD2-CD1 3.7Å; Y184-L186 HydrophobicContact CD2-CG 3.74Å; Y184-L186 HydrophobicContact CE2-CD1 4.02Å; Y184-L186 HydrophobicContact CE2-CG 4.5Å; Y184-L186 HydrophobicContact CG-CD1 4.44Å; Y184-L186 HydrophobicContact CG-CG 4.36Å; Y184-D199 HydrophobicContact CD1-CB 4.16Å; Y184-D199 HydrophobicContact CD2-CB 4.03Å; Y184-D199 HydrophobicContact CE1-CB 3.95Å; Y184-D199 HydrophobicContact CE2-CB 3.83Å; Y184-D199 HydrophobicContact CG-CB 4.18Å; Y184-D199 PolarHBondContact N-OD2 3.49Å; Y184-D199 PolarHBondContact O-N 2.75Å
185S96.9Very high93.4Very high0 Ų022 Ų220%010%0.102CC..EExtended strand (participates in β ladder)trans-115.2132.5155.8-65.70000108.2N122 V197 R204 P205N122-S185 PolarHBondContact N-O 3.31Å; N122-S185 PolarHBondContact O-N 3.06Å; S185-V197 CarbonylContact C-O 3.31Å; S185-V197 WeakPolarHBondContact CA-O 3.27Å; S185-R204 VanDerWaalsContact OG-CB 3.28Å; S185-R204 WeakPolarHBondContact OG-CB 3.38Å; S185-R204 PolarHBondContact OG-O 3.31Å; S185-P205 PolarHBondContact OG-O 2.99Å
186L97.7Very high93.8Very high0 Ų021.2 Ų21.20%010%0.098CC..EExtended strand (participates in β ladder)trans-123.8141.8-176-58.3172.3000111.3V119 A120 H121 I151 L176 Y184 I188 V197V119-L186 HydrophobicContact CG1-CD2 4.38Å; A120-L186 WeakPolarHBondContact O-CA 3.35Å; H121-L186 HydrophobicContact CB-CD2 3.53Å; H121-L186 VanDerWaalsContact CD2-CD2 3.43Å; H121-L186 WeakPolarHBondContact CD2-CD2 3.37Å; I151-L186 HydrophobicContact CD1-CD2 4.02Å; I151-L186 HydrophobicContact CG2-CD1 4.01Å; I151-L186 HydrophobicContact CG2-CD2 4.09Å; L176-L186 HydrophobicContact CD2-CD1 3.7Å; Y184-L186 HydrophobicContact CD2-CD1 3.7Å; Y184-L186 HydrophobicContact CD2-CG 3.74Å; Y184-L186 HydrophobicContact CE2-CD1 4.02Å; Y184-L186 HydrophobicContact CE2-CG 4.5Å; Y184-L186 HydrophobicContact CG-CD1 4.44Å; Y184-L186 HydrophobicContact CG-CG 4.36Å; L186-I188 HydrophobicContact CB-CG1 4.43Å; L186-V197 HydrophobicContact CB-CB 4.25Å; L186-V197 PolarHBondContact N-O 3.13Å; L186-V197 PolarHBondContact O-N 2.99Å
187L98.4Very high94Very high0 Ų021 Ų210%010%0.097CC..EExtended strand (participates in β ladder)trans-114.4122.9159.1-58.7-178.3000108.3V14 I89 V119 A120 I194 Y195 A196 L206 V232V14-L187 HydrophobicContact CB-CD1 3.94Å; V14-L187 HydrophobicContact CB-CG 4.15Å; V14-L187 HydrophobicContact CG2-CD1 4.22Å; V14-L187 HydrophobicContact CG2-CG 4.14Å; I89-L187 HydrophobicContact CG2-CB 3.96Å; I89-L187 HydrophobicContact CG2-CD1 4.31Å; V119-L187 WeakPolarHBondContact CA-O 3.32Å; A120-L187 HydrophobicContact CB-CB 4.42Å; A120-L187 PolarHBondContact N-O 3.43Å; A120-L187 PolarHBondContact O-N 2.94Å; L187-I194 HydrophobicContact CD2-CG2 4.44Å; L187-Y195 WeakPolarHBondContact CA-O 3.45Å; L187-A196 HydrophobicContact CD2-CB 4.02Å; L187-L206 HydrophobicContact CD2-CD1 4.31Å; L187-V232 HydrophobicContact CD2-CB 3.77Å; L187-V232 HydrophobicContact CD2-CG1 3.61Å; L187-V232 HydrophobicContact CD2-CG2 4.34Å
188I97.8Very high94.2Very high0 Ų021.4 Ų21.40%010%0.098CC..EExtended strand (participates in β ladder)trans-119.1118.5179-55.1161.8000107.5A118 V119 L155 I173 L186 I194 Y195 V197A118-I188 CarbonylContact O-C 3.45Å; A118-I188 WeakPolarHBondContact O-CA 3.42Å; V119-I188 HydrophobicContact CG1-CG1 4.39Å; V119-I188 HydrophobicContact CG2-CG1 4.3Å; V119-I188 HydrophobicContact CG2-CG2 4.33Å; L155-I188 HydrophobicContact CD1-CD1 3.61Å; L155-I188 HydrophobicContact CD1-CG1 4.02Å; L155-I188 HydrophobicContact CD2-CD1 4.26Å; I173-I188 HydrophobicContact CD1-CD1 3.91Å; I173-I188 HydrophobicContact CG1-CD1 3.81Å; L186-I188 HydrophobicContact CB-CG1 4.43Å; I188-I194 CarbonylContact O-C 3.52Å; I188-I194 WeakPolarHBondContact O-CA 3.26Å; I188-Y195 HydrophobicContact CB-CD2 4.38Å; I188-Y195 HydrophobicContact CG2-CD2 4.42Å; I188-Y195 PolarHBondContact N-O 3.41Å; I188-Y195 PolarHBondContact O-N 3.13Å; I188-V197 HydrophobicContact CD1-CG2 4.38Å
189M96Very high94.5Very high0 Ų013.7 Ų13.70%07%0.065CC..EExtended strand (participates in β ladder)trans-102.9123.3176.5-173.9175.472.700109.6V51 F61 L87 I89 I117 A118 I194V51-M189 HydrophobicContact CB-CE 4.4Å; V51-M189 HydrophobicContact CG1-CE 3.79Å; F61-M189 HydrophobicContact CD1-CE 4.48Å; F61-M189 HydrophobicContact CD2-CE 3.99Å; F61-M189 HydrophobicContact CE1-CE 4.16Å; F61-M189 HydrophobicContact CE2-CE 3.65Å; F61-M189 HydrophobicContact CG-CE 4.41Å; F61-M189 HydrophobicContact CZ-CE 3.75Å; F61-M189 HydrophobicContact CZ-CG 4.42Å; L87-M189 HydrophobicContact CD1-CG 3.89Å; L87-M189 HydrophobicContact CD1-SD 4.09Å; L87-M189 HydrophobicContact CG-CG 4.37Å; L87-M189 HydrophobicContact CG-SD 3.91Å; I89-M189 HydrophobicContact CD1-CB 4.13Å; I89-M189 HydrophobicContact CG1-CB 4.29Å; I89-M189 HydrophobicContact CG2-CB 4.2Å; I117-M189 WeakPolarHBondContact CA-O 3.31Å; A118-M189 HydrophobicContact CB-CB 4.31Å; A118-M189 HydrophobicContact CB-CE 4.1Å; A118-M189 PolarHBondContact N-O 2.86Å; A118-M189 PolarHBondContact O-N 3.3Å; M189-I194 HydrophobicContact CG-CG1 4.36Å
190H92.6Very high94.6Very high6 Ų612.8 Ų12.83%0.0286%0.061CC..EExtended strand (participates in β ladder)trans-141.1128.8174.7177.7-102000108.8H114 I117 W169 D192 V193 Y195H114-H190 PolarHBondContact O-NE2 3.15Å; I117-H190 HydrophobicContact CG2-CB 4.24Å; W169-H190 AromaticContact CD1-CE1 3.84Å; W169-H190 AromaticContact CD1-ND1 3.59Å; W169-H190 AromaticContact CE2-CD2 3.73Å; W169-H190 AromaticContact CE2-CE1 4Å; W169-H190 AromaticContact CE2-CG 3.81Å; W169-H190 AromaticContact CE2-NE2 3.84Å; W169-H190 AromaticContact CZ2-CD2 3.63Å; W169-H190 AromaticContact CZ2-NE2 3.84Å; W169-H190 AromaticContact NE1-CD2 3.5Å; W169-H190 PolarHBondContact NE1-CD2 2.89Å; W169-H190 AromaticContact NE1-CE1 3.04Å; W169-H190 PolarHBondContact NE1-CE1 3.18Å; W169-H190 AromaticContact NE1-CG 3.35Å; W169-H190 AromaticContact NE1-ND1 3.08Å; W169-H190 PolarHBondContact NE1-ND1 3.01Å; W169-H190 AromaticContact NE1-NE2 3.29Å; W169-H190 PolarHBondContact NE1-NE2 3.44Å; H190-D192 PolarHBondContact O-N 3.09Å; H190-D192 VanDerWaalsContact O-N 3.11Å; H190-V193 PolarHBondContact N-O 3.27Å; H190-V193 WeakPolarHBondContact O-CG2 3.43Å; H190-V193 PolarHBondContact O-N 2.98Å; H190-V193 VanDerWaalsContact O-N 3.11Å; H190-Y195 HydrophobicContact CB-CE2 4.48Å
191R89.8Confident94.7Very high103 Ų10313.5 Ų13.539%0.3896%0.064SC..THydrogen-bonded Turntrans50.3-114.7-177.2-64.3174.9-179.7171.21.5112G55G55-R191 WeakPolarHBondContact CA-O 3.39Å
192D91.8Very high95.1Very high73 Ų7311.8 Ų11.839%0.395%0.053SC..THydrogen-bonded Turntrans-104.49.3-173.462.2-36.5000113.7I18 W23 H190I18-D192 VanDerWaalsContact CD1-O 3.29Å; I18-D192 WeakPolarHBondContact CD1-O 3.34Å; W23-D192 HydrophobicContact CH2-CB 3.92Å; W23-D192 HydrophobicContact CZ3-CB 3.66Å; H190-D192 PolarHBondContact O-N 3.09Å; H190-D192 VanDerWaalsContact O-N 3.11Å
193V95.3Very high95.3Very high11 Ų1111.9 Ų11.97%0.0675%0.053CC..EExtended strand (participates in β ladder)trans-127.5154.7-178.8-59.40000113H190 Y195 E257 I258H190-V193 PolarHBondContact N-O 3.27Å; H190-V193 WeakPolarHBondContact O-CG2 3.43Å; H190-V193 PolarHBondContact O-N 2.98Å; H190-V193 VanDerWaalsContact O-N 3.11Å; V193-Y195 HydrophobicContact CG2-CD2 4.36Å; V193-Y195 HydrophobicContact CG2-CE1 4.47Å; V193-Y195 HydrophobicContact CG2-CE2 3.64Å; V193-E257 HydrophobicContact CB-CG 4.07Å; V193-E257 HydrophobicContact CG1-CG 4.08Å; V193-I258 WeakPolarHBondContact CA-O 3.37Å
194I97.9Very high95.5Very high2 Ų211.9 Ų11.91%0.015%0.054CC..EExtended strand (participates in β ladder)trans-116.8122.4167.7-59.9177.5000108.1I18 L87 I89 L187 I188 M189 I258I18-I194 HydrophobicContact CB-CD1 4.19Å; L87-I194 HydrophobicContact CB-CD1 4.38Å; L87-I194 HydrophobicContact CD1-CG1 4.04Å; I89-I194 HydrophobicContact CG2-CD1 4.01Å; I89-I194 HydrophobicContact CG2-CG1 4.4Å; I89-I194 HydrophobicContact CG2-CG2 4.17Å; L187-I194 HydrophobicContact CD2-CG2 4.44Å; I188-I194 CarbonylContact O-C 3.52Å; I188-I194 WeakPolarHBondContact O-CA 3.26Å; M189-I194 HydrophobicContact CG-CG1 4.36Å; I194-I258 PolarHBondContact N-O 3.3Å; I194-I258 WeakPolarHBondContact O-CB 3.3Å; I194-I258 PolarHBondContact O-N 3.38Å
195Y98.3Very high95.5Very high18 Ų1811.9 Ų11.97%0.0715%0.054CC..EExtended strand (participates in β ladder)trans-88.5127167.7-55-83.7000109.9W169 I173 L187 I188 H190 V193 V256 E257 L266W169-Y195 HydrophobicContact CB-CE2 4.16Å; W169-Y195 HydrophobicContact CG-CE2 4.41Å; I173-Y195 HydrophobicContact CD1-CD1 4.25Å; I173-Y195 HydrophobicContact CD1-CD2 4.38Å; I173-Y195 HydrophobicContact CD1-CG 3.97Å; L187-Y195 WeakPolarHBondContact CA-O 3.45Å; I188-Y195 HydrophobicContact CB-CD2 4.38Å; I188-Y195 HydrophobicContact CG2-CD2 4.42Å; I188-Y195 PolarHBondContact N-O 3.41Å; I188-Y195 PolarHBondContact O-N 3.13Å; H190-Y195 HydrophobicContact CB-CE2 4.48Å; V193-Y195 HydrophobicContact CG2-CD2 4.36Å; V193-Y195 HydrophobicContact CG2-CE1 4.47Å; V193-Y195 HydrophobicContact CG2-CE2 3.64Å; Y195-V256 CarbonylContact C-O 3.19Å; Y195-V256 VanDerWaalsContact CA-O 3.23Å; Y195-V256 WeakPolarHBondContact CA-O 3.17Å; Y195-E257 HydrophobicContact CD1-CB 4.08Å; Y195-E257 HydrophobicContact CD1-CG 4.35Å; Y195-E257 HydrophobicContact CE1-CB 4.04Å; Y195-E257 HydrophobicContact CE1-CG 4Å; Y195-L266 HydrophobicContact CD1-CD1 4.32Å; Y195-L266 HydrophobicContact CE1-CD1 3.84Å
196A98.4Very high95.6Very high0 Ų012 Ų120%05%0.054CC..EExtended strand (participates in β ladder)trans-106.2119.7170.700000108.7L187 L206 V232 V250 V256 I258L187-A196 HydrophobicContact CD2-CB 4.02Å; A196-L206 HydrophobicContact CB-CD2 3.97Å; A196-V232 HydrophobicContact CB-CG1 3.87Å; A196-V232 HydrophobicContact CB-CG2 4.22Å; A196-V250 HydrophobicContact CB-CG2 4.31Å; A196-V256 HydrophobicContact CB-CB 4.34Å; A196-V256 PolarHBondContact N-O 2.84Å; A196-V256 PolarHBondContact O-N 3.39Å; A196-I258 HydrophobicContact CB-CD1 4.34Å
197V98.1Very high95.6Very high0 Ų012 Ų120%06%0.055CC..EExtended strand (participates in β ladder)trans-129.1136.6-171.8-173.10000110I173 M177 S185 L186 I188 E254 I255I173-V197 HydrophobicContact CD1-CG2 4.25Å; I173-V197 HydrophobicContact CG2-CB 4.48Å; I173-V197 HydrophobicContact CG2-CG1 3.87Å; I173-V197 HydrophobicContact CG2-CG2 3.82Å; M177-V197 HydrophobicContact CE-CG1 4.11Å; M177-V197 HydrophobicContact CG-CG1 4.39Å; M177-V197 HydrophobicContact SD-CG1 3.76Å; S185-V197 CarbonylContact C-O 3.31Å; S185-V197 WeakPolarHBondContact CA-O 3.27Å; L186-V197 HydrophobicContact CB-CB 4.25Å; L186-V197 PolarHBondContact N-O 3.13Å; L186-V197 PolarHBondContact O-N 2.99Å; I188-V197 HydrophobicContact CD1-CG2 4.38Å; V197-E254 WeakPolarHBondContact CA-O 3.46Å; V197-I255 HydrophobicContact CG1-CG1 4.32Å; V197-I255 HydrophobicContact CG2-CG2 4.26Å
198R96.4Very high95.6Very high12 Ų1212 Ų125%0.0456%0.055CC..EExtended strand (participates in β ladder)trans-121.8138.7174-161.4-177.9177.3-176.4-2.8109.7M177 G202 R204 V250 G253 E254M177-R198 VanDerWaalsContact CE-O 3.24Å; M177-R198 WeakPolarHBondContact CE-O 3.36Å; R198-G202 VanDerWaalsContact NE-CA 3.35Å; R198-G202 PolarHBondContact NE-O 3.23Å; R198-G202 PolarHBondContact NH2-O 2.82Å; R198-R204 PolarHBondContact NE-O 2.58Å; R198-V250 HydrophobicContact CB-CG1 3.95Å; R198-V250 WeakPolarHBondContact CD-O 3.36Å; R198-V250 PolarHBondContact NH1-O 3.25Å; R198-G253 WeakPolarHBondContact O-CA 3.46Å; R198-G253 PolarHBondContact O-N 3.2Å; R198-E254 PolarHBondContact N-O 3.46Å
199D95.2Very high95.5Very high0 Ų012 Ų120%06%0.055CC..  trans-55.8154.5179.373.391.8000112.3T182 Y184 Y201 G202 N203 G253T182-D199 PolarHBondContact OG1-OD1 2.78Å; Y184-D199 HydrophobicContact CD1-CB 4.16Å; Y184-D199 HydrophobicContact CD2-CB 4.03Å; Y184-D199 HydrophobicContact CE1-CB 3.95Å; Y184-D199 HydrophobicContact CE2-CB 3.83Å; Y184-D199 HydrophobicContact CG-CB 4.18Å; Y184-D199 PolarHBondContact N-OD2 3.49Å; Y184-D199 PolarHBondContact O-N 2.75Å; D199-Y201 PolarHBondContact O-N 2.84Å; D199-Y201 VanDerWaalsContact O-N 3.1Å; D199-Y201 WeakPolarHBondContact OD1-CA 3.23Å; D199-Y201 WeakPolarHBondContact OD1-CB 3.38Å; D199-Y201 PolarHBondContact OD1-N 2.96Å; D199-Y201 VanDerWaalsContact OD1-N 3.08Å; D199-G202 WeakPolarHBondContact O-CA 3.42Å; D199-G202 PolarHBondContact O-N 2.78Å; D199-G202 PolarHBondContact OD1-N 3.16Å; D199-G202 VanDerWaalsContact OD1-N 3.15Å; D199-N203 PolarHBondContact OD1-N 3.18Å; D199-N203 PolarHBondContact OD2-N 3.43Å; D199-G253 PolarHBondContact O-N 3.21Å
200P93.3Very high95.4Very high8 Ų814.8 Ų14.85%0.0527%0.065CC..THydrogen-bonded Turntrans-53.2-32-177.9-29.835.6000115.3M177 P181 G202 P252 I269 R271M177-P200 HydrophobicContact CE-CG 4.13Å; P181-P200 WeakPolarHBondContact O-CD 3.21Å; P200-G202 VanDerWaalsContact C-N 3.32Å; P200-P252 WeakPolarHBondContact O-CB 3.11Å; P200-I269 HydrophobicContact CG-CG2 4.21Å; P200-R271 HydrophobicContact CB-CG 4Å; P200-R271 VanDerWaalsContact O-CD 3.23Å; P200-R271 WeakPolarHBondContact O-CD 3.46Å; P200-R271 WeakPolarHBondContact O-CG 3.42Å; P200-R271 PolarHBondContact O-NH1 2.78Å; P200-R271 VanDerWaalsContact O-NH1 3.13Å
201Y93.1Very high95.4Very high14 Ų1414.7 Ų14.76%0.0556%0.064CC..THydrogen-bonded Turntrans-82.2-13.3177.5-70.3-92.3000113.2D199 N203 N275 A278 P512 V513D199-Y201 PolarHBondContact O-N 2.84Å; D199-Y201 VanDerWaalsContact O-N 3.1Å; D199-Y201 WeakPolarHBondContact OD1-CA 3.23Å; D199-Y201 WeakPolarHBondContact OD1-CB 3.38Å; D199-Y201 PolarHBondContact OD1-N 2.96Å; D199-Y201 VanDerWaalsContact OD1-N 3.08Å; Y201-N203 VanDerWaalsContact C-N 3.34Å; Y201-N275 HydrophobicContact CE1-CB 3.98Å; Y201-N275 PolarHBondContact OH-ND2 2.82Å; Y201-N275 VanDerWaalsContact OH-ND2 3.08Å; Y201-A278 HydrophobicContact CD1-CB 4.09Å; Y201-A278 PolarHBondContact O-N 2.91Å; Y201-P512 HydrophobicContact CD1-CB 3.86Å; Y201-P512 HydrophobicContact CE1-CB 3.97Å; Y201-P512 HydrophobicContact CG-CB 4.48Å; Y201-P512 PolarHBondContact OH-O 3.38Å; Y201-V513 HydrophobicContact CD2-CG1 4.15Å; Y201-V513 HydrophobicContact CE2-CG1 3.52Å
202G93.8Very high95.4Very high1 Ų110 Ų101%0.015%0.047CC..  trans64.438.7-178.400000111.9R198 D199 P200 F279R198-G202 VanDerWaalsContact NE-CA 3.35Å; R198-G202 PolarHBondContact NE-O 3.23Å; R198-G202 PolarHBondContact NH2-O 2.82Å; D199-G202 WeakPolarHBondContact O-CA 3.42Å; D199-G202 PolarHBondContact O-N 2.78Å; D199-G202 PolarHBondContact OD1-N 3.16Å; D199-G202 VanDerWaalsContact OD1-N 3.15Å; P200-G202 VanDerWaalsContact C-N 3.32Å; G202-F279 WeakPolarHBondContact O-CA 3.29Å; G202-F279 WeakPolarHBondContact O-CD2 3.05Å
203N94.9Very high94.9Very high1 Ų17.3 Ų7.31%0.0053%0.033CC..  trans-68.2-45.2-170.3-175.4-93.6000112.5A183 D199 Y201 A278 F279 C280A183-N203 HydrophobicContact CB-CB 3.61Å; A183-N203 WeakPolarHBondContact CB-OD1 3.44Å; D199-N203 PolarHBondContact OD1-N 3.18Å; D199-N203 PolarHBondContact OD2-N 3.43Å; Y201-N203 VanDerWaalsContact C-N 3.34Å; N203-A278 WeakPolarHBondContact CA-O 3.03Å; N203-A278 PolarHBondContact ND2-O 3.29Å; N203-F279 WeakPolarHBondContact O-CD2 3.38Å; N203-C280 WeakPolarHBondContact O-CB 3.39Å; N203-C280 PolarHBondContact O-N 2.99Å
204R94.9Very high94Very high1 Ų112.2 Ų12.20%0.0046%0.063CC..SBendtrans-93.5147.3-179.3-63.6-69.6145.2-166.9-0.1111.3A183 S185 R198 E283 M428 G429A183-R204 HydrophobicContact CB-CG 4.42Å; S185-R204 VanDerWaalsContact OG-CB 3.28Å; S185-R204 WeakPolarHBondContact OG-CB 3.38Å; S185-R204 PolarHBondContact OG-O 3.31Å; R198-R204 PolarHBondContact NE-O 2.58Å; R204-E283 IonicContact NH1-OE1 3.98Å; R204-M428 PolarHBondContact NE-O 2.8Å; R204-M428 PolarHBondContact NH2-O 3.28Å; R204-G429 PolarHBondContact NH1-O 3.4Å; R204-G429 VanDerWaalsContact NH2-C 3.27Å; R204-G429 PolarHBondContact NH2-O 3.17Å
205P95.9Very high92.9Very high0 Ų016.5 Ų16.50%09%0.094CC..  trans-76.7149.9-18032.2-35.4000111.4S185 S234 F279 E283 F294S185-P205 PolarHBondContact OG-O 2.99Å; P205-S234 VanDerWaalsContact CB-O 3.31Å; P205-S234 WeakPolarHBondContact CB-O 3.18Å; P205-S234 WeakPolarHBondContact CG-O 3.27Å; P205-F279 HydrophobicContact CB-CE2 3.93Å; P205-F279 HydrophobicContact CB-CZ 4.23Å; P205-E283 WeakPolarHBondContact CD-OE1 3.31Å; P205-E283 HydrophobicContact CG-CG 4.48Å; P205-F294 HydrophobicContact CB-CD1 3.92Å; P205-F294 HydrophobicContact CB-CE1 3.35Å; P205-F294 HydrophobicContact CB-CZ 3.83Å; P205-F294 HydrophobicContact CG-CE1 4.04Å; P205-F294 HydrophobicContact CG-CZ 4.03Å
206L97.8Very high91.7Very high1 Ų116.7 Ų16.71%0.00510%0.096CC..  trans-159.9130.1171-165.364000108.9V14 L187 A196 V232 V250V14-L206 HydrophobicContact CG2-CD1 3.85Å; L187-L206 HydrophobicContact CD2-CD1 4.31Å; A196-L206 HydrophobicContact CB-CD2 3.97Å; L206-V232 HydrophobicContact CD1-CG1 3.65Å; L206-V232 HydrophobicContact CD2-CG1 4.31Å; L206-V232 HydrophobicContact CG-CG1 3.8Å; L206-V250 HydrophobicContact CB-CB 4.14Å; L206-V250 HydrophobicContact CB-CG2 4.24Å; L206-V250 HydrophobicContact CD2-CB 4.21Å; L206-V250 HydrophobicContact CD2-CG1 4.36Å; L206-V250 HydrophobicContact CD2-CG2 3.95Å; L206-V250 HydrophobicContact CG-CB 4.3Å; L206-V250 HydrophobicContact CG-CG2 3.92Å; L206-V250 PolarHBondContact O-N 3.39Å
207C97.7Very high90.4Very high2 Ų219.9 Ų19.91%0.01411%0.112CC..EExtended strand (participates in β ladder)trans-139.4156.4-178.264.80000111.9V232 S233 E235 S236 F239 Y246 E249C207-V232 CarbonylContact O-C 3.55Å; C207-V232 WeakPolarHBondContact O-CA 3.39Å; C207-V232 WeakPolarHBondContact O-CG1 3.42Å; C207-S233 PolarHBondContact N-O 2.9Å; C207-S233 PolarHBondContact O-N 3.34Å; C207-S233 PolarHBondContact SG-O 2.88Å; C207-E235 VanDerWaalsContact SG-C 3.58Å; C207-S236 PolarHBondContact SG-N 2.93Å; C207-S236 VanDerWaalsContact SG-N 3.39Å; C207-F239 VanDerWaalsContact SG-CZ 3.53Å; C207-Y246 HydrophobicContact CB-CE2 4.01Å; C207-E249 HydrophobicContact CB-CG 4.26Å
208I98.3Very high88.8Confident0 Ų027.1 Ų27.10%015%0.151CC..EExtended strand (participates in β ladder)trans-112.1136.6-177.6-54.8176.1000108.6W230 V231 V232 Y247 R248 V250 V256 I258 V263I208-W230 HydrophobicContact CG2-CE3 4.17Å; I208-V231 CarbonylContact C-O 3.52Å; I208-V231 WeakPolarHBondContact CA-O 3.25Å; I208-V232 HydrophobicContact CG1-CG1 4.43Å; I208-V232 HydrophobicContact CG1-CG2 4.44Å; I208-Y247 HydrophobicContact CB-CD1 4.37Å; I208-Y247 HydrophobicContact CG2-CD1 4.07Å; I208-Y247 WeakPolarHBondContact O-CB 3.32Å; I208-Y247 PolarHBondContact O-N 3.07Å; I208-R248 PolarHBondContact N-O 3.43Å; I208-R248 PolarHBondContact O-N 3.07Å; I208-V250 HydrophobicContact CD1-CG2 3.98Å; I208-V250 HydrophobicContact CG1-CG2 3.89Å; I208-V256 HydrophobicContact CD1-CB 4.5Å; I208-V256 HydrophobicContact CD1-CG1 3.87Å; I208-V256 HydrophobicContact CD1-CG2 4.49Å; I208-I258 HydrophobicContact CD1-CD1 4.28Å; I208-V263 HydrophobicContact CD1-CG1 3.79Å; I208-V263 HydrophobicContact CG2-CG2 4.36Å
209G96.1Very high87.4Confident0 Ų029 Ų290%016%0.162CC..EExtended strand (participates in β ladder)trans-124157.9173.300000111V231 R245G209-V231 PolarHBondContact N-O 3.12Å; G209-V231 WeakPolarHBondContact O-CG2 3.41Å; G209-V231 PolarHBondContact O-N 3Å; G209-R245 CarbonylContact C-O 3.51Å; G209-R245 VanDerWaalsContact CA-O 3.24Å; G209-R245 WeakPolarHBondContact CA-O 3.38Å
210R94.6Very high85.6Confident57 Ų5738.4 Ų38.422%0.21520%0.203CC..EExtended strand (participates in β ladder)trans-111.6117.9176.8-176.9179.5164.8158.82.8108.9I212 T224 S225 E226 T227 W230 A244 R245R210-I212 HydrophobicContact CG-CG2 4.4Å; R210-T224 PolarHBondContact NH2-O 3Å; R210-S225 PolarHBondContact NH2-O 3.14Å; R210-E226 PolarHBondContact NH2-O 3.15Å; R210-T227 HydrophobicContact CG-CG2 3.71Å; R210-T227 PolarHBondContact NE-OG1 3.15Å; R210-T227 PolarHBondContact NH2-OG1 3.4Å; R210-W230 HydrophobicContact CB-CE3 4Å; R210-W230 HydrophobicContact CB-CH2 4.36Å; R210-W230 HydrophobicContact CB-CZ3 3.71Å; R210-W230 HydrophobicContact CG-CE3 4.29Å; R210-W230 HydrophobicContact CG-CH2 4.18Å; R210-W230 HydrophobicContact CG-CZ3 3.97Å; R210-A244 CarbonylContact O-C 3.56Å; R210-A244 VanDerWaalsContact O-CA 3.3Å; R210-A244 WeakPolarHBondContact O-CA 3.43Å; R210-R245 PolarHBondContact N-O 2.73Å; R210-R245 PolarHBondContact O-N 2.78Å
211L92.8Very high83.8Confident4 Ų446.8 Ų46.82%0.02124%0.241CC..EExtended strand (participates in β ladder)trans-70.3129.7170-70.3165.7000108.8L27 V32 E228 G229 V231 I242 A244L27-L211 HydrophobicContact CD2-CD1 3.91Å; V32-L211 HydrophobicContact CG1-CD1 4.15Å; V32-L211 HydrophobicContact CG1-CD2 4.49Å; L211-E228 HydrophobicContact CB-CB 4.33Å; L211-E228 PolarHBondContact O-N 3Å; L211-E228 VanDerWaalsContact O-N 3.09Å; L211-G229 WeakPolarHBondContact CB-O 3.48Å; L211-G229 PolarHBondContact N-O 3.36Å; L211-V231 HydrophobicContact CD1-CG1 3.64Å; L211-V231 HydrophobicContact CD2-CG1 4.25Å; L211-V231 HydrophobicContact CG-CG1 3.77Å; L211-I242 HydrophobicContact CD2-CB 4.28Å; L211-I242 HydrophobicContact CD2-CD1 4.05Å; L211-I242 HydrophobicContact CD2-CG1 4Å; L211-I242 VanDerWaalsContact CD2-O 3.25Å; L211-I242 WeakPolarHBondContact CD2-O 3.24Å; L211-A244 HydrophobicContact CD2-CB 3.9Å; L211-A244 HydrophobicContact CG-CB 4.4Å
212I88.7Confident82.1Confident6 Ų651.3 Ų51.33%0.03126%0.261CS..  trans-120.1150.4179.153.7152.2000109.8R210 I217 G243 R245R210-I212 HydrophobicContact CG-CG2 4.4Å; I212-I217 HydrophobicContact CD1-CB 4.48Å; I212-I217 HydrophobicContact CD1-CG1 3.91Å; I212-I217 HydrophobicContact CG1-CG1 4.17Å; I212-G243 WeakPolarHBondContact CG1-O 3.49Å; I212-R245 HydrophobicContact CD1-CG 3.91Å; I212-R245 HydrophobicContact CG1-CG 4.2Å
213P82.6Confident80.2Confident15 Ų1561.1 Ų61.110%0.09730%0.304CS..  trans-53.8142.2175.7-25.634.1000112.6S215 D216 I217 E228P213-S215 PolarHBondContact O-N 3.13Å; P213-S215 VanDerWaalsContact O-N 3.14Å; P213-D216 PolarHBondContact O-N 3.18Å; P213-I217 PolarHBondContact O-N 3.41Å; P213-E228 WeakPolarHBondContact CA-OE2 3.37Å; P213-E228 HydrophobicContact CG-CG 3.92Å
214V76.3Confident78.3Confident114 Ų11462.3 Ų62.369%0.69131%0.311SS*.Hα-helixtrans-55.9-34.6-178.9179.30000112.2D216 I217V214-D216 PolarHBondContact O-N 3.41Å; V214-D216 VanDerWaalsContact O-N 3.15Å; V214-I217 HydrophobicContact CB-CD1 4.36Å; V214-I217 HydrophobicContact CG1-CD1 4.41Å; V214-I217 HydrophobicContact CG2-CD1 4.33Å; V214-I217 PolarHBondContact O-N 3.09Å
215S72.9Confident76.7Confident93 Ų9367.9 Ų67.965%0.6535%0.35SS*.Hα-helixtrans-56.9-27.2176.249.30000113.5P213P213-S215 PolarHBondContact O-N 3.13Å; P213-S215 VanDerWaalsContact O-N 3.14Å
216D74.3Confident75.9Confident21 Ų2174.4 Ų74.411%0.11238%0.38CS..Hα-helixtrans-106.1-4-173.7-58.9-39.2000113.7P213 V214 N218 D219 T224 R245P213-D216 PolarHBondContact O-N 3.18Å; V214-D216 PolarHBondContact O-N 3.41Å; V214-D216 VanDerWaalsContact O-N 3.15Å; D216-N218 PolarHBondContact O-N 2.92Å; D216-D219 PolarHBondContact O-N 3.3Å; D216-T224 HydrophobicContact CB-CG2 3.39Å; D216-T224 WeakPolarHBondContact OD2-CG2 3.45Å; D216-R245 PolarHBondContact O-NH2 3.35Å
217I70.6Confident75.3Confident67 Ų6775.8 Ų75.834%0.34439%0.389SS..Hα-helixtrans-58.6-38.4177.2-67.4176000110.7I212 P213 V214I212-I217 HydrophobicContact CD1-CB 4.48Å; I212-I217 HydrophobicContact CD1-CG1 3.91Å; I212-I217 HydrophobicContact CG1-CG1 4.17Å; P213-I217 PolarHBondContact O-N 3.41Å; V214-I217 HydrophobicContact CB-CD1 4.36Å; V214-I217 HydrophobicContact CG1-CD1 4.41Å; V214-I217 HydrophobicContact CG2-CD1 4.33Å; V214-I217 PolarHBondContact O-N 3.09Å
218N65.3Low75.1Confident153 Ų15379.5 Ų79.582%0.81841%0.406SS*.SBendtrans-89.8-11.3-177.2-67.4-34000114.1D216 K220D216-N218 PolarHBondContact O-N 2.92Å; N218-K220 PolarHBondContact O-N 2.84Å
219D65.7Low74.9Confident50 Ų5079.5 Ų79.527%0.26741%0.406SS..  trans-100.487.2-176.6-156.3-21.8000109.4D216 E221 K222 R245D216-D219 PolarHBondContact O-N 3.3Å; D219-E221 PolarHBondContact O-N 3.4Å; D219-K222 HydrophobicContact CB-CB 4.36Å; D219-K222 HydrophobicContact CB-CD 4.36Å; D219-K222 HydrophobicContact CB-CG 4.49Å; D219-K222 WeakPolarHBondContact OD2-CD 3.14Å; D219-K222 WeakPolarHBondContact OD2-CE 3.29Å; D219-K222 WeakPolarHBondContact OD2-CG 3.27Å; D219-K222 IonicContact OD2-NZ 2.78Å; D219-K222 PolarHBondContact OD2-NZ 2.87Å; D219-R245 PolarHBondContact O-NH2 3.39Å
220K57.6Low74.9Confident198 Ų19880.5 Ų80.586%0.86141%0.41SS*.SBendtrans-69.4-19.7-178.3-70.8-174.4179.2179.40113.1N218N218-K220 PolarHBondContact O-N 2.84Å
221E56.7Low75.1Confident184 Ų18477.8 Ų77.886%0.8640%0.4SS*.SBendtrans-89.3-23.9-177.5-68.4-171.7163.600112.7D219 K223D219-E221 PolarHBondContact O-N 3.4Å; E221-K223 PolarHBondContact O-N 2.73Å; E221-K223 VanDerWaalsContact O-N 3.11Å
222K57Low75.4Confident109 Ų10977.7 Ų77.747%0.47440%0.399SS..  trans-71.1106.9168.2-78.3-177.4-171.4142.20110.7D219 T224D219-K222 HydrophobicContact CB-CB 4.36Å; D219-K222 HydrophobicContact CB-CD 4.36Å; D219-K222 HydrophobicContact CB-CG 4.49Å; D219-K222 WeakPolarHBondContact OD2-CD 3.14Å; D219-K222 WeakPolarHBondContact OD2-CE 3.29Å; D219-K222 WeakPolarHBondContact OD2-CG 3.27Å; D219-K222 IonicContact OD2-NZ 2.78Å; D219-K222 PolarHBondContact OD2-NZ 2.87Å; K222-T224 HydrophobicContact CB-CG2 4.19Å; K222-T224 PolarHBondContact O-N 2.84Å
223K52.8Low75.8Confident208 Ų20877.4 Ų77.490%0.90440%0.398SS*.  trans-65.185.6154-77-177.7177.3178.40107.8E221 S225E221-K223 PolarHBondContact O-N 2.73Å; E221-K223 VanDerWaalsContact O-N 3.11Å; K223-S225 PolarHBondContact O-N 3.11Å
224T56.2Low76.5Confident25 Ų2576.7 Ų76.715%0.15339%0.393CS..  trans-65.5128.3175.446.30000110.2R210 D216 K222R210-T224 PolarHBondContact NH2-O 3Å; D216-T224 HydrophobicContact CB-CG2 3.39Å; D216-T224 WeakPolarHBondContact OD2-CG2 3.45Å; K222-T224 HydrophobicContact CB-CG2 4.19Å; K222-T224 PolarHBondContact O-N 2.84Å
225S60.8Low77.5Confident119 Ų11971.3 Ų71.383%0.83236%0.36SS*.  trans-83.1-18172.152.50000112.4R210 K223R210-S225 PolarHBondContact NH2-O 3.14Å; K223-S225 PolarHBondContact O-N 3.11Å
226E78.4Confident78.6Confident136 Ų13667.4 Ų67.464%0.63633%0.333SS*.  trans-90.5137-171.9-158.5161.8-155.300112.6R210R210-E226 PolarHBondContact NH2-O 3.15Å
227T87.1Confident79.7Confident30 Ų3066.4 Ų66.418%0.18433%0.328CS..  trans-121.7120.3-179.5-56.80000107.2S20 R210 G229 W230S20-T227 VanDerWaalsContact CB-O 3.23Å; S20-T227 WeakPolarHBondContact CB-O 3.23Å; R210-T227 HydrophobicContact CG-CG2 3.71Å; R210-T227 PolarHBondContact NE-OG1 3.15Å; R210-T227 PolarHBondContact NH2-OG1 3.4Å; T227-G229 WeakPolarHBondContact CG2-O 3.03Å; T227-W230 HydrophobicContact CG2-CD2 4.28Å; T227-W230 HydrophobicContact CG2-CZ2 4.26Å
228E91.6Very high80.8Confident81 Ų8163.2 Ų63.238%0.37931%0.312SS..SBendtrans-78.6-26.8173.1-69.7-172.6132.900111.5S20 L211 P213S20-E228 PolarHBondContact N-O 2.89Å; L211-E228 HydrophobicContact CB-CB 4.33Å; L211-E228 PolarHBondContact O-N 3Å; L211-E228 VanDerWaalsContact O-N 3.09Å; P213-E228 WeakPolarHBondContact CA-OE2 3.37Å; P213-E228 HydrophobicContact CG-CG 3.92Å
229G94.6Very high82.2Confident0 Ų056.1 Ų56.10%027%0.273CS..EExtended strand (participates in β ladder)trans178.6176.7175.300000113I18 L211 T227I18-G229 CarbonylContact O-C 3.6Å; I18-G229 WeakPolarHBondContact O-CA 3.42Å; L211-G229 WeakPolarHBondContact CB-O 3.48Å; L211-G229 PolarHBondContact N-O 3.36Å; T227-G229 WeakPolarHBondContact CG2-O 3.03Å
230W97.3Very high83.3Confident21 Ų2160.3 Ų60.38%0.0830%0.295CS..EExtended strand (participates in β ladder)trans-113.7142.6175.4-63.5101.5000109.8C17 I18 I208 R210 T227 Y247 I258 V263C17-W230 WeakPolarHBondContact CA-O 3.12Å; I18-W230 HydrophobicContact CG2-CB 3.89Å; I18-W230 PolarHBondContact N-O 3.15Å; I18-W230 PolarHBondContact O-N 3.39Å; I208-W230 HydrophobicContact CG2-CE3 4.17Å; R210-W230 HydrophobicContact CB-CE3 4Å; R210-W230 HydrophobicContact CB-CH2 4.36Å; R210-W230 HydrophobicContact CB-CZ3 3.71Å; R210-W230 HydrophobicContact CG-CE3 4.29Å; R210-W230 HydrophobicContact CG-CH2 4.18Å; R210-W230 HydrophobicContact CG-CZ3 3.97Å; T227-W230 HydrophobicContact CG2-CD2 4.28Å; T227-W230 HydrophobicContact CG2-CZ2 4.26Å; W230-Y247 AromaticContact CZ3-CD1 3.9Å; W230-Y247 HydrophobicContact CZ3-CD1 3.9Å; W230-Y247 HydrophobicContact CZ3-CD2 4.27Å; W230-Y247 HydrophobicContact CZ3-CE1 4.27Å; W230-Y247 AromaticContact CZ3-CG 3.91Å; W230-Y247 HydrophobicContact CZ3-CG 3.91Å; W230-I258 HydrophobicContact CB-CG2 3.53Å; W230-I258 HydrophobicContact CG-CG2 4.01Å; W230-V263 HydrophobicContact CB-CG2 4.42Å; W230-V263 HydrophobicContact CD2-CG2 3.41Å; W230-V263 VanDerWaalsContact CD2-CG2 3.41Å; W230-V263 HydrophobicContact CE3-CG2 3.55Å; W230-V263 HydrophobicContact CG-CG2 3.81Å; W230-V263 HydrophobicContact CH2-CG2 4.19Å; W230-V263 HydrophobicContact CZ2-CG2 4.1Å; W230-V263 HydrophobicContact CZ3-CG2 3.94Å
231V97.9Very high84.7Confident0 Ų054.3 Ų54.30%028%0.278CS..EExtended strand (participates in β ladder)trans-125.7147.6176.4-66.70000110.4F15 G16 C17 V32 I208 G209 L211 F239 I242 A244F15-V231 HydrophobicContact CE1-CB 4.38Å; F15-V231 HydrophobicContact CE1-CG1 4.16Å; F15-V231 HydrophobicContact CZ-CB 3.82Å; F15-V231 HydrophobicContact CZ-CG1 3.83Å; G16-V231 CarbonylContact O-C 3.54Å; G16-V231 WeakPolarHBondContact O-CA 3.41Å; C17-V231 HydrophobicContact CB-CG1 4.15Å; V32-V231 HydrophobicContact CG1-CG1 4.42Å; I208-V231 CarbonylContact C-O 3.52Å; I208-V231 WeakPolarHBondContact CA-O 3.25Å; G209-V231 PolarHBondContact N-O 3.12Å; G209-V231 WeakPolarHBondContact O-CG2 3.41Å; G209-V231 PolarHBondContact O-N 3Å; L211-V231 HydrophobicContact CD1-CG1 3.64Å; L211-V231 HydrophobicContact CD2-CG1 4.25Å; L211-V231 HydrophobicContact CG-CG1 3.77Å; V231-F239 HydrophobicContact CB-CE1 4.45Å; V231-F239 HydrophobicContact CG2-CD1 3.79Å; V231-F239 HydrophobicContact CG2-CE1 3.63Å; V231-F239 HydrophobicContact CG2-CZ 4.4Å; V231-I242 HydrophobicContact CG1-CD1 4.02Å; V231-I242 HydrophobicContact CG2-CD1 4.32Å; V231-A244 HydrophobicContact CG2-CB 3.72Å
232V98.4Very high86.3Confident2 Ų246.7 Ų46.71%0.01224%0.243CC..EExtended strand (participates in β ladder)trans-125.9139.9172.5-164.90000108.3F15 G16 L187 A196 L206 C207 I208 I258F15-V232 CarbonylContact C-O 3.54Å; F15-V232 VanDerWaalsContact CA-O 3.27Å; F15-V232 WeakPolarHBondContact CA-O 3.34Å; G16-V232 PolarHBondContact N-O 2.91Å; G16-V232 PolarHBondContact O-N 3.08Å; L187-V232 HydrophobicContact CD2-CB 3.77Å; L187-V232 HydrophobicContact CD2-CG1 3.61Å; L187-V232 HydrophobicContact CD2-CG2 4.34Å; A196-V232 HydrophobicContact CB-CG1 3.87Å; A196-V232 HydrophobicContact CB-CG2 4.22Å; L206-V232 HydrophobicContact CD1-CG1 3.65Å; L206-V232 HydrophobicContact CD2-CG1 4.31Å; L206-V232 HydrophobicContact CG-CG1 3.8Å; C207-V232 CarbonylContact O-C 3.55Å; C207-V232 WeakPolarHBondContact O-CA 3.39Å; C207-V232 WeakPolarHBondContact O-CG1 3.42Å; I208-V232 HydrophobicContact CG1-CG1 4.43Å; I208-V232 HydrophobicContact CG1-CG2 4.44Å; V232-I258 HydrophobicContact CG2-CD1 3.03Å
233S98.1Very high87.9Confident0 Ų042.1 Ų42.10%023%0.227CC..EExtended strand (participates in β ladder)trans-149.4149.6-176.1-176.60000111.9V14 C207 E235 S238V14-S233 WeakPolarHBondContact O-CA 3.24Å; C207-S233 PolarHBondContact N-O 2.9Å; C207-S233 PolarHBondContact O-N 3.34Å; C207-S233 PolarHBondContact SG-O 2.88Å; S233-E235 PolarHBondContact O-N 2.85Å; S233-E235 PolarHBondContact OG-N 2.81Å; S233-E235 PolarHBondContact OG-O 2.73Å; S233-S238 VanDerWaalsContact CB-OG 3.27Å; S233-S238 WeakPolarHBondContact CB-OG 3.44Å; S233-S238 PolarHBondContact OG-OG 2.96Å
234S97.3Very high89.8Confident0 Ų032.6 Ų32.60%019%0.187CC..SBendtrans-55.9-31.3166.4-64.50000112V14 P205V14-S234 WeakPolarHBondContact CG2-OG 3.44Å; V14-S234 PolarHBondContact N-OG 3.33Å; V14-S234 PolarHBondContact O-N 2.74Å; P205-S234 VanDerWaalsContact CB-O 3.31Å; P205-S234 WeakPolarHBondContact CB-O 3.18Å; P205-S234 WeakPolarHBondContact CG-O 3.27Å
235E97.1Very high91.5Very high0 Ų035.2 Ų35.20%019%0.194CC..  trans-142.7141.1-177.9-76.7-178.5-105.900113.9L40 H42 R43 C207 S233 C237 S238 A288 R289 S292 F294L40-E235 HydrophobicContact CD2-CB 3.73Å; L40-E235 HydrophobicContact CD2-CG 4.47Å; H42-E235 IonicContact CD2-OE1 3.24Å; H42-E235 IonicContact CE1-OE1 2.73Å; H42-E235 PolarHBondContact CE1-OE1 3.38Å; H42-E235 IonicContact NE2-OE1 3.15Å; H42-E235 PolarHBondContact NE2-OE1 2.74Å; H42-E235 IonicContact NE2-OE2 3.51Å; R43-E235 IonicContact CZ-OE1 2.94Å; R43-E235 IonicContact NE-OE1 2.65Å; R43-E235 PolarHBondContact NE-OE1 2.64Å; R43-E235 VanDerWaalsContact NH2-CG 3.29Å; R43-E235 IonicContact NH2-OE1 3.82Å; R43-E235 PolarHBondContact NH2-OE1 2.7Å; R43-E235 IonicContact NH2-OE2 3.64Å; C207-E235 VanDerWaalsContact SG-C 3.58Å; S233-E235 PolarHBondContact O-N 2.85Å; S233-E235 PolarHBondContact OG-N 2.81Å; S233-E235 PolarHBondContact OG-O 2.73Å; E235-C237 PolarHBondContact O-N 3.02Å; E235-C237 VanDerWaalsContact O-N 3.14Å; E235-S238 PolarHBondContact O-N 3.2Å; E235-S238 PolarHBondContact O-OG 3.27Å; E235-A288 WeakPolarHBondContact OE2-CA 3.28Å; E235-A288 VanDerWaalsContact OE2-CB 3.32Å; E235-A288 WeakPolarHBondContact OE2-CB 3.37Å; E235-R289 PolarHBondContact OE2-N 3.07Å; E235-S292 WeakPolarHBondContact CB-OG 3.38Å; E235-S292 VanDerWaalsContact OE2-CB 3.32Å; E235-S292 WeakPolarHBondContact OE2-CB 3.46Å; E235-S292 PolarHBondContact OE2-OG 2.92Å; E235-F294 HydrophobicContact CG-CE1 4.04Å; E235-F294 HydrophobicContact CG-CZ 3.74Å
236S96.9Very high93.1Very high11 Ų1133.3 Ų33.38%0.07717%0.169CC..G310 helixtrans-64.3-20.5178.266.70000113.6C207 S238 F239 M293C207-S236 PolarHBondContact SG-N 2.93Å; C207-S236 VanDerWaalsContact SG-N 3.39Å; S236-S238 PolarHBondContact O-N 3.37Å; S236-F239 VanDerWaalsContact O-CB 3.28Å; S236-F239 WeakPolarHBondContact O-CB 3.36Å; S236-F239 WeakPolarHBondContact O-CG 3.44Å; S236-F239 PolarHBondContact O-N 3.09Å; S236-M293 PolarHBondContact OG-N 3.24Å
237C95.6Very high93.8Very high1 Ų131.7 Ų31.71%0.00716%0.158CC..G310 helixtrans-63.1-22.4-178.578.10000112.9E235 F239 R289 S292E235-C237 PolarHBondContact O-N 3.02Å; E235-C237 VanDerWaalsContact O-N 3.14Å; C237-F239 VanDerWaalsContact C-N 3.3Å; C237-R289 HydrophobicContact CB-CB 4.24Å; C237-R289 PolarHBondContact O-NH2 3.24Å; C237-S292 WeakPolarHBondContact CB-OG 3.32Å
238S95Very high94.2Very high0 Ų033 Ų330%016%0.159CC..G310 helixtrans-71.6-20.3173.9620000113.8S233 E235 S236S233-S238 VanDerWaalsContact CB-OG 3.27Å; S233-S238 WeakPolarHBondContact CB-OG 3.44Å; S233-S238 PolarHBondContact OG-OG 2.96Å; E235-S238 PolarHBondContact O-N 3.2Å; E235-S238 PolarHBondContact O-OG 3.27Å; S236-S238 PolarHBondContact O-N 3.37Å
239F95.1Very high94.4Very high4 Ų430.3 Ų30.32%0.01815%0.147CC..THydrogen-bonded Turntrans-73-35.8-172.6-63.5-20000113.3C207 V231 S236 C237 S241 I242 G243 A244 Y246C207-F239 VanDerWaalsContact SG-CZ 3.53Å; V231-F239 HydrophobicContact CB-CE1 4.45Å; V231-F239 HydrophobicContact CG2-CD1 3.79Å; V231-F239 HydrophobicContact CG2-CE1 3.63Å; V231-F239 HydrophobicContact CG2-CZ 4.4Å; S236-F239 VanDerWaalsContact O-CB 3.28Å; S236-F239 WeakPolarHBondContact O-CB 3.36Å; S236-F239 WeakPolarHBondContact O-CG 3.44Å; S236-F239 PolarHBondContact O-N 3.09Å; C237-F239 VanDerWaalsContact C-N 3.3Å; F239-S241 VanDerWaalsContact C-N 3.3Å; F239-S241 PolarHBondContact O-N 3.49Å; F239-I242 VanDerWaalsContact O-CG1 3.23Å; F239-I242 WeakPolarHBondContact O-CG1 3.46Å; F239-I242 PolarHBondContact O-N 3.49Å; F239-G243 PolarHBondContact O-N 3.31Å; F239-A244 HydrophobicContact CB-CB 3.74Å; F239-A244 WeakPolarHBondContact CB-O 3.46Å; F239-A244 HydrophobicContact CD1-CB 4.21Å; F239-A244 HydrophobicContact CG-CB 4.07Å; F239-A244 PolarHBondContact O-N 3.26Å; F239-Y246 HydrophobicContact CD2-CD2 4.41Å; F239-Y246 HydrophobicContact CE2-CD2 4.01Å
240L88.1Confident94.5Very high137 Ų13730.3 Ų30.372%0.71715%0.147SC*.G310 helixtrans-61.1-39.1-178.3-70.4173000112.2I242 G243L240-I242 PolarHBondContact O-N 3.19Å; L240-G243 PolarHBondContact O-N 3.46Å
241S86.5Confident94.3Very high72 Ų7233 Ų3350%0.50316%0.162SC..G310 helixtrans-66.5-17.7-177.9-55.30000114.1F239F239-S241 VanDerWaalsContact C-N 3.3Å; F239-S241 PolarHBondContact O-N 3.49Å
242I91.3Very high94.1Very high25 Ų2533.9 Ų33.913%0.12817%0.168CC..G310 helixtrans-1208.1-175.763.3178.3000112.5F15 V32 L35 L211 V231 F239 L240 A244F15-I242 HydrophobicContact CE1-CD1 4.4Å; F15-I242 HydrophobicContact CE2-CD1 4.01Å; F15-I242 HydrophobicContact CZ-CD1 3.4Å; V32-I242 HydrophobicContact CG1-CB 4.36Å; V32-I242 HydrophobicContact CG1-CD1 4.06Å; V32-I242 HydrophobicContact CG1-CG2 4.35Å; L35-I242 HydrophobicContact CB-CG2 3.54Å; L35-I242 HydrophobicContact CD1-CG2 4.34Å; L211-I242 HydrophobicContact CD2-CB 4.28Å; L211-I242 HydrophobicContact CD2-CD1 4.05Å; L211-I242 HydrophobicContact CD2-CG1 4Å; L211-I242 VanDerWaalsContact CD2-O 3.25Å; L211-I242 WeakPolarHBondContact CD2-O 3.24Å; V231-I242 HydrophobicContact CG1-CD1 4.02Å; V231-I242 HydrophobicContact CG2-CD1 4.32Å; F239-I242 VanDerWaalsContact O-CG1 3.23Å; F239-I242 WeakPolarHBondContact O-CG1 3.46Å; F239-I242 PolarHBondContact O-N 3.49Å; L240-I242 PolarHBondContact O-N 3.19Å; I242-A244 VanDerWaalsContact C-N 3.29Å; I242-A244 HydrophobicContact CD1-CB 4.11Å; I242-A244 HydrophobicContact CG1-CB 3.92Å; I242-A244 PolarHBondContact O-N 2.92Å
243G89.7Confident94Very high13 Ų1333.8 Ų33.813%0.13417%0.168CC..THydrogen-bonded Turntrans70.819.6-178.600000114.7I212 F239 L240I212-G243 WeakPolarHBondContact CG1-O 3.49Å; F239-G243 PolarHBondContact O-N 3.31Å; L240-G243 PolarHBondContact O-N 3.46Å
244A92.9Very high93.8Very high8 Ų833.9 Ų33.97%0.06617%0.168CC..EExtended strand (participates in β ladder)trans-82.4140.1175.300000111.5R210 L211 V231 F239 I242R210-A244 CarbonylContact O-C 3.56Å; R210-A244 VanDerWaalsContact O-CA 3.3Å; R210-A244 WeakPolarHBondContact O-CA 3.43Å; L211-A244 HydrophobicContact CD2-CB 3.9Å; L211-A244 HydrophobicContact CG-CB 4.4Å; V231-A244 HydrophobicContact CG2-CB 3.72Å; F239-A244 HydrophobicContact CB-CB 3.74Å; F239-A244 WeakPolarHBondContact CB-O 3.46Å; F239-A244 HydrophobicContact CD1-CB 4.21Å; F239-A244 HydrophobicContact CG-CB 4.07Å; F239-A244 PolarHBondContact O-N 3.26Å; I242-A244 VanDerWaalsContact C-N 3.29Å; I242-A244 HydrophobicContact CD1-CB 4.11Å; I242-A244 HydrophobicContact CG1-CB 3.92Å; I242-A244 PolarHBondContact O-N 2.92Å
245R92.2Very high93.9Very high80 Ų8033.9 Ų33.930%0.30217%0.168SC..EExtended strand (participates in β ladder)trans-93.5136.2168.9-69.5-177176.9172.53109.3G209 R210 I212 D216 D219 Y247G209-R245 CarbonylContact C-O 3.51Å; G209-R245 VanDerWaalsContact CA-O 3.24Å; G209-R245 WeakPolarHBondContact CA-O 3.38Å; R210-R245 PolarHBondContact N-O 2.73Å; R210-R245 PolarHBondContact O-N 2.78Å; I212-R245 HydrophobicContact CD1-CG 3.91Å; I212-R245 HydrophobicContact CG1-CG 4.2Å; D216-R245 PolarHBondContact O-NH2 3.35Å; D219-R245 PolarHBondContact O-NH2 3.39Å; R245-Y247 PolarHBondContact O-N 3.13Å
246Y93.7Very high93.9Very high79 Ų7933.9 Ų33.931%0.3117%0.168SC..EExtended strand (participates in β ladder)trans-58.6128.7173.7178.1-93.9000110.3C207 F239 E249C207-Y246 HydrophobicContact CB-CE2 4.01Å; F239-Y246 HydrophobicContact CD2-CD2 4.41Å; F239-Y246 HydrophobicContact CE2-CD2 4.01Å; Y246-E249 WeakPolarHBondContact OH-CG 3.42Å; Y246-E249 PolarHBondContact OH-N 3.11Å
247Y94.1Very high94Very high102 Ų10235.4 Ų35.440%0.417%0.174SC..EExtended strand (participates in β ladder)trans-100.7-65.4178-179.1-124000110.6I208 W230 R245 V263I208-Y247 HydrophobicContact CB-CD1 4.37Å; I208-Y247 HydrophobicContact CG2-CD1 4.07Å; I208-Y247 WeakPolarHBondContact O-CB 3.32Å; I208-Y247 PolarHBondContact O-N 3.07Å; W230-Y247 AromaticContact CZ3-CD1 3.9Å; W230-Y247 HydrophobicContact CZ3-CD1 3.9Å; W230-Y247 HydrophobicContact CZ3-CD2 4.27Å; W230-Y247 HydrophobicContact CZ3-CE1 4.27Å; W230-Y247 AromaticContact CZ3-CG 3.91Å; W230-Y247 HydrophobicContact CZ3-CG 3.91Å; R245-Y247 PolarHBondContact O-N 3.13Å; Y247-V263 HydrophobicContact CE1-CB 4.48Å; Y247-V263 HydrophobicContact CE1-CG1 4.35Å
248R94.5Very high94Very high56 Ų5635.4 Ų35.421%0.21117%0.174CC..EExtended strand (participates in β ladder)trans-165.1167.2176.265.8177.4-17587.8-14.1112I208 E254 T265I208-R248 PolarHBondContact N-O 3.43Å; I208-R248 PolarHBondContact O-N 3.07Å; R248-E254 IonicContact CZ-OE1 2.64Å; R248-E254 IonicContact CZ-OE2 3.37Å; R248-E254 IonicContact NH1-OE1 3.08Å; R248-E254 PolarHBondContact NH1-OE1 3.08Å; R248-E254 IonicContact NH1-OE2 2.57Å; R248-E254 PolarHBondContact NH1-OE2 3.36Å; R248-E254 IonicContact NH2-OE1 3.19Å; R248-E254 PolarHBondContact NH2-OE1 3.24Å; R248-E254 IonicContact NH2-OE2 3.84Å; R248-T265 PolarHBondContact NH2-OG1 2.97Å
249E95.4Very high94.1Very high26 Ų2636 Ų3612%0.12118%0.178CC..EExtended strand (participates in β ladder)trans-76153.8165-86.8167.711600111.8C207 Y246 F294 E295C207-E249 HydrophobicContact CB-CG 4.26Å; Y246-E249 WeakPolarHBondContact OH-CG 3.42Å; Y246-E249 PolarHBondContact OH-N 3.11Å; E249-F294 WeakPolarHBondContact OE1-CA 3.23Å; E249-E295 VanDerWaalsContact CD-N 3.26Å; E249-E295 PolarHBondContact OE1-N 2.93Å; E249-E295 WeakPolarHBondContact OE2-CA 3.35Å; E249-E295 PolarHBondContact OE2-N 3.34Å
250V96.5Very high94Very high0 Ų039.3 Ų39.30%019%0.19CC..PPolyproline II helixtrans-81.4124.7164.2-178.50000107.8A196 R198 L206 I208 E254 V256A196-V250 HydrophobicContact CB-CG2 4.31Å; R198-V250 HydrophobicContact CB-CG1 3.95Å; R198-V250 WeakPolarHBondContact CD-O 3.36Å; R198-V250 PolarHBondContact NH1-O 3.25Å; L206-V250 HydrophobicContact CB-CB 4.14Å; L206-V250 HydrophobicContact CB-CG2 4.24Å; L206-V250 HydrophobicContact CD2-CB 4.21Å; L206-V250 HydrophobicContact CD2-CG1 4.36Å; L206-V250 HydrophobicContact CD2-CG2 3.95Å; L206-V250 HydrophobicContact CG-CB 4.3Å; L206-V250 HydrophobicContact CG-CG2 3.92Å; L206-V250 PolarHBondContact O-N 3.39Å; I208-V250 HydrophobicContact CD1-CG2 3.98Å; I208-V250 HydrophobicContact CG1-CG2 3.89Å; V250-E254 WeakPolarHBondContact CA-OE2 2.74Å; V250-E254 HydrophobicContact CG1-CB 3.94Å; V250-E254 HydrophobicContact CG1-CG 4.45Å; V250-V256 HydrophobicContact CG1-CG2 4.08Å; V250-V256 HydrophobicContact CG2-CG2 4.44Å
251L94.9Very high94Very high76 Ų7639.1 Ų39.140%0.39819%0.186SC..PPolyproline II helixtrans-71.2154.4-175.4-58.7176000110.9G253 E254 I268L251-G253 PolarHBondContact O-N 3.49Å; L251-E254 HydrophobicContact CB-CB 3.95Å; L251-E254 PolarHBondContact N-OE2 3.38Å; L251-E254 WeakPolarHBondContact O-CB 3.36Å; L251-E254 PolarHBondContact O-N 3.06Å; L251-I268 HydrophobicContact CD1-CD1 4.38Å
252P93.7Very high94.2Very high20 Ų2038.8 Ų38.813%0.1318%0.178CC..THydrogen-bonded Turntrans-55.8128.9172.6-25.635.8000111.7P200 E254 M277P200-P252 WeakPolarHBondContact O-CB 3.11Å; P252-E254 PolarHBondContact O-N 3.1Å; P252-M277 HydrophobicContact CG-CG 4.26Å; P252-M277 HydrophobicContact CG-SD 3.74Å
253G94.4Very high94.4Very high0 Ų038.7 Ų38.70%018%0.179CC..THydrogen-bonded Turntrans76.6-0.2-177.500000115.2M177 R198 D199 L251 I268 I269M177-G253 WeakPolarHBondContact CE-O 3.21Å; R198-G253 WeakPolarHBondContact O-CA 3.46Å; R198-G253 PolarHBondContact O-N 3.2Å; D199-G253 PolarHBondContact O-N 3.21Å; L251-G253 PolarHBondContact O-N 3.49Å; G253-I268 WeakPolarHBondContact O-CA 3.38Å; G253-I269 PolarHBondContact O-N 3.4Å
254E95.9Very high94.7Very high2 Ų241 Ų411%0.00919%0.186CC..EExtended strand (participates in β ladder)trans-77.1136.5-176-165.9-176.2-164.900112V197 R198 R248 V250 L251 P252 V256 T265 I268V197-E254 WeakPolarHBondContact CA-O 3.46Å; R198-E254 PolarHBondContact N-O 3.46Å; R248-E254 IonicContact CZ-OE1 2.64Å; R248-E254 IonicContact CZ-OE2 3.37Å; R248-E254 IonicContact NH1-OE1 3.08Å; R248-E254 PolarHBondContact NH1-OE1 3.08Å; R248-E254 IonicContact NH1-OE2 2.57Å; R248-E254 PolarHBondContact NH1-OE2 3.36Å; R248-E254 IonicContact NH2-OE1 3.19Å; R248-E254 PolarHBondContact NH2-OE1 3.24Å; R248-E254 IonicContact NH2-OE2 3.84Å; V250-E254 WeakPolarHBondContact CA-OE2 2.74Å; V250-E254 HydrophobicContact CG1-CB 3.94Å; V250-E254 HydrophobicContact CG1-CG 4.45Å; L251-E254 HydrophobicContact CB-CB 3.95Å; L251-E254 PolarHBondContact N-OE2 3.38Å; L251-E254 WeakPolarHBondContact O-CB 3.36Å; L251-E254 PolarHBondContact O-N 3.06Å; P252-E254 PolarHBondContact O-N 3.1Å; E254-V256 HydrophobicContact CG-CG2 3.59Å; E254-V256 WeakPolarHBondContact OE1-CG2 3.28Å; E254-V256 WeakPolarHBondContact OE2-CG2 3.39Å; E254-T265 HydrophobicContact CG-CG2 3.66Å; E254-T265 WeakPolarHBondContact OE1-CB 3.49Å; E254-T265 WeakPolarHBondContact OE1-CG2 3.23Å; E254-T265 PolarHBondContact OE1-OG1 2.83Å; E254-I268 HydrophobicContact CB-CG1 4.41Å; E254-I268 HydrophobicContact CG-CG1 4.17Å
255I97.6Very high94.8Very high0 Ų042.2 Ų42.20%019%0.192CC..EExtended strand (participates in β ladder)trans-108.5109.3167.5-54.9172.9000107V170 I173 K174 M177 V197 L266 D267V170-I255 HydrophobicContact CG1-CD1 4.24Å; I173-I255 HydrophobicContact CB-CD1 4.09Å; I173-I255 HydrophobicContact CD1-CG2 4.15Å; I173-I255 HydrophobicContact CG2-CD1 3.53Å; I173-I255 HydrophobicContact CG2-CG1 3.78Å; I173-I255 HydrophobicContact CG2-CG2 4.33Å; K174-I255 HydrophobicContact CG-CD1 3.83Å; M177-I255 HydrophobicContact SD-CD1 3.96Å; M177-I255 HydrophobicContact SD-CG1 3.86Å; V197-I255 HydrophobicContact CG1-CG1 4.32Å; V197-I255 HydrophobicContact CG2-CG2 4.26Å; I255-L266 PolarHBondContact O-N 3.15Å; I255-D267 HydrophobicContact CD1-CB 4.32Å; I255-D267 PolarHBondContact N-O 3.08Å
256V98.1Very high94.9Very high0 Ų040.8 Ų40.80%019%0.191CC..EExtended strand (participates in β ladder)trans-105.9126.7178-175.50000109.3Y195 A196 I208 V250 E254 I258 V263 Q264Y195-V256 CarbonylContact C-O 3.19Å; Y195-V256 VanDerWaalsContact CA-O 3.23Å; Y195-V256 WeakPolarHBondContact CA-O 3.17Å; A196-V256 HydrophobicContact CB-CB 4.34Å; A196-V256 PolarHBondContact N-O 2.84Å; A196-V256 PolarHBondContact O-N 3.39Å; I208-V256 HydrophobicContact CD1-CB 4.5Å; I208-V256 HydrophobicContact CD1-CG1 3.87Å; I208-V256 HydrophobicContact CD1-CG2 4.49Å; V250-V256 HydrophobicContact CG1-CG2 4.08Å; V250-V256 HydrophobicContact CG2-CG2 4.44Å; E254-V256 HydrophobicContact CG-CG2 3.59Å; E254-V256 WeakPolarHBondContact OE1-CG2 3.28Å; E254-V256 WeakPolarHBondContact OE2-CG2 3.39Å; V256-I258 HydrophobicContact CG1-CG1 4.01Å; V256-V263 HydrophobicContact CG1-CG1 3.54Å; V256-Q264 CarbonylContact C-O 2.96Å; V256-Q264 WeakPolarHBondContact CA-O 3.4Å
257E97.9Very high94.8Very high43 Ų4339.6 Ų39.620%0.20119%0.19CC..EExtended strand (participates in β ladder)trans-92.7134.3166.3-177.9-177.491.700109.8V193 Y195 Q264 L266V193-E257 HydrophobicContact CB-CG 4.07Å; V193-E257 HydrophobicContact CG1-CG 4.08Å; Y195-E257 HydrophobicContact CD1-CB 4.08Å; Y195-E257 HydrophobicContact CD1-CG 4.35Å; Y195-E257 HydrophobicContact CE1-CB 4.04Å; Y195-E257 HydrophobicContact CE1-CG 4Å; E257-Q264 PolarHBondContact N-O 3.22Å; E257-Q264 PolarHBondContact O-N 3.32Å; E257-L266 HydrophobicContact CB-CD1 3.64Å; E257-L266 HydrophobicContact CB-CD2 4.18Å; E257-L266 HydrophobicContact CB-CG 3.79Å; E257-L266 HydrophobicContact CG-CD1 4.45Å
258I97.5Very high94.7Very high0 Ų037.2 Ų37.20%018%0.183CC..EExtended strand (participates in β ladder)trans-123.5116.9176.7-50.8178.3000107.6I18 V193 I194 A196 I208 W230 V232 V256 V263I18-I258 HydrophobicContact CG2-CB 4.39Å; I18-I258 HydrophobicContact CG2-CG2 3.43Å; I18-I258 VanDerWaalsContact CG2-CG2 3.43Å; V193-I258 WeakPolarHBondContact CA-O 3.37Å; I194-I258 PolarHBondContact N-O 3.3Å; I194-I258 WeakPolarHBondContact O-CB 3.3Å; I194-I258 PolarHBondContact O-N 3.38Å; A196-I258 HydrophobicContact CB-CD1 4.34Å; I208-I258 HydrophobicContact CD1-CD1 4.28Å; W230-I258 HydrophobicContact CB-CG2 3.53Å; W230-I258 HydrophobicContact CG-CG2 4.01Å; V232-I258 HydrophobicContact CG2-CD1 3.03Å; V256-I258 HydrophobicContact CG1-CG1 4.01Å; I258-V263 HydrophobicContact CG1-CG1 4.4Å; I258-V263 HydrophobicContact CG1-CG2 4.34Å; I258-V263 HydrophobicContact CG2-CG2 4.03Å
259S95.2Very high94.5Very high12 Ų1236.5 Ų36.58%0.08418%0.183CC..  trans-114.4176.1177.574.50000110.2H261 N262S259-H261 PolarHBondContact O-N 3.48Å; S259-H261 VanDerWaalsContact O-N 3.16Å; S259-H261 PolarHBondContact OG-N 2.86Å; S259-H261 VanDerWaalsContact OG-N 3.15Å; S259-N262 PolarHBondContact N-O 3.31Å; S259-N262 PolarHBondContact OG-N 2.88Å; S259-N262 VanDerWaalsContact OG-N 3.14Å; S259-N262 PolarHBondContact OG-O 3.36Å; S259-N262 PolarHBondContact OG-OD1 3.04Å
260R92.9Very high94Very high74 Ų7438.7 Ų38.728%0.27920%0.202SC..SBendtrans-62.3-18.5171.475.2-177.1-154159.210.2113.5A19 S20 G21 W23A19-R260 WeakPolarHBondContact O-CB 3.42Å; S20-R260 VanDerWaalsContact CA-O 3.3Å; S20-R260 WeakPolarHBondContact CA-O 3.27Å; S20-R260 WeakPolarHBondContact CB-O 3.28Å; S20-R260 PolarHBondContact OG-O 3.09Å; S20-R260 VanDerWaalsContact OG-O 3.08Å; G21-R260 PolarHBondContact O-NH1 2.92Å; W23-R260 HydrophobicContact CH2-CB 4.36Å; W23-R260 HydrophobicContact CZ2-CB 3.57Å; W23-R260 HydrophobicContact CZ2-CG 4.43Å
261H89.8Confident93.5Very high134 Ų13440.3 Ų40.362%0.6221%0.208SC*.SBendtrans-99-42-173.9-65.3-59.6000112.8S259S259-H261 PolarHBondContact O-N 3.48Å; S259-H261 VanDerWaalsContact O-N 3.16Å; S259-H261 PolarHBondContact OG-N 2.86Å; S259-H261 VanDerWaalsContact OG-N 3.15Å
262N89.6Confident92.6Very high65 Ų6540.3 Ų40.335%0.34821%0.214SC..  trans-155.6170.6-171.163.88.9000112.9S259S259-N262 PolarHBondContact N-O 3.31Å; S259-N262 PolarHBondContact OG-N 2.88Å; S259-N262 VanDerWaalsContact OG-N 3.14Å; S259-N262 PolarHBondContact OG-O 3.36Å; S259-N262 PolarHBondContact OG-OD1 3.04Å
263V95.3Very high91.6Very high23 Ų2348.6 Ų48.614%0.13925%0.251CS..EExtended strand (participates in β ladder)trans-113.6119.9167174.10000106.1I208 W230 Y247 V256 I258I208-V263 HydrophobicContact CD1-CG1 3.79Å; I208-V263 HydrophobicContact CG2-CG2 4.36Å; W230-V263 HydrophobicContact CB-CG2 4.42Å; W230-V263 HydrophobicContact CD2-CG2 3.41Å; W230-V263 VanDerWaalsContact CD2-CG2 3.41Å; W230-V263 HydrophobicContact CE3-CG2 3.55Å; W230-V263 HydrophobicContact CG-CG2 3.81Å; W230-V263 HydrophobicContact CH2-CG2 4.19Å; W230-V263 HydrophobicContact CZ2-CG2 4.1Å; W230-V263 HydrophobicContact CZ3-CG2 3.94Å; Y247-V263 HydrophobicContact CE1-CB 4.48Å; Y247-V263 HydrophobicContact CE1-CG1 4.35Å; V256-V263 HydrophobicContact CG1-CG1 3.54Å; I258-V263 HydrophobicContact CG1-CG1 4.4Å; I258-V263 HydrophobicContact CG1-CG2 4.34Å; I258-V263 HydrophobicContact CG2-CG2 4.03Å
264Q95.6Very high90.5Very high60 Ų6051.7 Ų51.728%0.2828%0.283SS..EExtended strand (participates in β ladder)trans-131.5133.3-176.1-176.7176.6-26.200111.3V256 E257 L266V256-Q264 CarbonylContact C-O 2.96Å; V256-Q264 WeakPolarHBondContact CA-O 3.4Å; E257-Q264 PolarHBondContact N-O 3.22Å; E257-Q264 PolarHBondContact O-N 3.32Å; Q264-L266 HydrophobicContact CG-CD2 4.2Å; Q264-L266 PolarHBondContact O-N 3.1Å
265T95.8Very high89.8Confident34 Ų3454.4 Ų54.421%0.20930%0.298CS..EExtended strand (participates in β ladder)trans-76119.9167.5-52.80000108.9R248 E254 I268R248-T265 PolarHBondContact NH2-OG1 2.97Å; E254-T265 HydrophobicContact CG-CG2 3.66Å; E254-T265 WeakPolarHBondContact OE1-CB 3.49Å; E254-T265 WeakPolarHBondContact OE1-CG2 3.23Å; E254-T265 PolarHBondContact OE1-OG1 2.83Å; T265-I268 HydrophobicContact CG2-CD1 4.24Å; T265-I268 HydrophobicContact CG2-CG1 3.9Å
266L93.8Very high89.3Confident51 Ų5157.1 Ų57.127%0.26732%0.315SS..EExtended strand (participates in β ladder)trans-90.8-37.9178.2-62-171.5000111.9V170 Y195 I255 E257 Q264V170-L266 HydrophobicContact CG2-CB 4.31Å; V170-L266 HydrophobicContact CG2-CD1 3.49Å; V170-L266 VanDerWaalsContact CG2-CD1 3.49Å; Y195-L266 HydrophobicContact CD1-CD1 4.32Å; Y195-L266 HydrophobicContact CE1-CD1 3.84Å; I255-L266 PolarHBondContact O-N 3.15Å; E257-L266 HydrophobicContact CB-CD1 3.64Å; E257-L266 HydrophobicContact CB-CD2 4.18Å; E257-L266 HydrophobicContact CB-CG 3.79Å; E257-L266 HydrophobicContact CG-CD1 4.45Å; Q264-L266 HydrophobicContact CG-CD2 4.2Å; Q264-L266 PolarHBondContact O-N 3.1Å
267D92.3Very high88.9Confident54 Ų5459 Ų5929%0.28933%0.325SS..EExtended strand (participates in β ladder)trans-159.2164.9175.4-145-54.4000112K174 I255K174-D267 WeakPolarHBondContact CE-OD2 3.45Å; K174-D267 IonicContact NZ-OD2 2.98Å; K174-D267 PolarHBondContact NZ-OD2 2.81Å; I255-D267 HydrophobicContact CD1-CB 4.32Å; I255-D267 PolarHBondContact N-O 3.08Å
268I91.8Very high88.7Confident52 Ų5257.3 Ų57.327%0.26732%0.318SS..EExtended strand (participates in β ladder)trans-133.5107.4172.3-57.5178.1000108.5L251 G253 E254 T265 S270 L494L251-I268 HydrophobicContact CD1-CD1 4.38Å; G253-I268 WeakPolarHBondContact O-CA 3.38Å; E254-I268 HydrophobicContact CB-CG1 4.41Å; E254-I268 HydrophobicContact CG-CG1 4.17Å; T265-I268 HydrophobicContact CG2-CD1 4.24Å; T265-I268 HydrophobicContact CG2-CG1 3.9Å; I268-S270 PolarHBondContact O-N 3.49Å; I268-L494 HydrophobicContact CD1-CD2 4.41Å; I268-L494 HydrophobicContact CG2-CD2 4.32Å
269I90.1Very high88.6Confident41 Ų4157.5 Ų57.521%0.2132%0.319CS..PPolyproline II helixtrans-77.8119.4177.8-60.2-49.2000110.4K174 M177 P200 G253K174-I269 HydrophobicContact CD-CD1 4.27Å; K174-I269 HydrophobicContact CG-CD1 3.89Å; K174-I269 HydrophobicContact CG-CG1 4.3Å; M177-I269 HydrophobicContact CE-CB 4.03Å; M177-I269 HydrophobicContact CE-CG1 4.2Å; M177-I269 HydrophobicContact SD-CB 4.42Å; M177-I269 HydrophobicContact SD-CG1 3.95Å; P200-I269 HydrophobicContact CG-CG2 4.21Å; G253-I269 PolarHBondContact O-N 3.4Å
270S85.3Confident88.6Confident72 Ų7257.1 Ų57.150%0.50332%0.316SS..PPolyproline II helixtrans-69.4149.2177.9-62.90000111.6I268I268-S270 PolarHBondContact O-N 3.49Å
271R85.6Confident88.7Confident33 Ų3353.6 Ų53.613%0.12530%0.303CS..PPolyproline II helixtrans-74.9167.8169.9-66.4171.4-67.2-81.5-5.5110.3P200 E273 N275 E498P200-R271 HydrophobicContact CB-CG 4Å; P200-R271 VanDerWaalsContact O-CD 3.23Å; P200-R271 WeakPolarHBondContact O-CD 3.46Å; P200-R271 WeakPolarHBondContact O-CG 3.42Å; P200-R271 PolarHBondContact O-NH1 2.78Å; P200-R271 VanDerWaalsContact O-NH1 3.13Å; R271-E273 PolarHBondContact O-N 3.33Å; R271-N275 PolarHBondContact NE-O 2.87Å; R271-E498 IonicContact CZ-OE2 2.74Å; R271-E498 IonicContact NE-OE2 2.7Å; R271-E498 IonicContact NH2-OE2 2.64Å; R271-E498 PolarHBondContact NH2-OE2 3.1Å; R271-E498 VanDerWaalsContact NH2-OE2 3.13Å
272S76.9Confident89Confident77 Ų7747.3 Ų47.354%0.53827%0.273SS..SBendtrans-56.9135.2165.9-46.90000110.2G274 N275S272-G274 PolarHBondContact O-N 2.97Å; S272-N275 PolarHBondContact O-N 2.82Å
273E71.9Confident89.2Confident193 Ų19344.2 Ų44.290%0.90226%0.257SS*.THydrogen-bonded Turntrans-50.2131.3-176.1-73.5-177.2168.600112.4R271 N275R271-E273 PolarHBondContact O-N 3.33Å; E273-N275 PolarHBondContact O-N 3.1Å
274G70.8Confident89.2Confident66 Ų6643.2 Ų43.268%0.6825%0.251SS*.THydrogen-bonded Turntrans86.8-6.6175.200000115.8S272S272-G274 PolarHBondContact O-N 2.97Å
275N81.4Confident89.1Confident59 Ų5940.9 Ų40.932%0.31624%0.24SC..PPolyproline II helixtrans-86.5126.6176.9-74.9-21000111.9Y201 R271 S272 E273Y201-N275 HydrophobicContact CE1-CB 3.98Å; Y201-N275 PolarHBondContact OH-ND2 2.82Å; Y201-N275 VanDerWaalsContact OH-ND2 3.08Å; R271-N275 PolarHBondContact NE-O 2.87Å; S272-N275 PolarHBondContact O-N 2.82Å; E273-N275 PolarHBondContact O-N 3.1Å
276P87.1Confident88.8Confident56 Ų5642.6 Ų42.636%0.36424%0.243SC..PPolyproline II helixtrans-70.4167.717732.6-35.9000111.3K499P276-K499 HydrophobicContact CB-CB 4.34Å; P276-K499 WeakPolarHBondContact CB-O 3.33Å
277M90.6Very high88.5Confident41 Ų4140.5 Ų40.520%0.20223%0.232CC..PPolyproline II helixtrans-55.6153.2164.4-64-175.8-66.400110.2P252 G501P252-M277 HydrophobicContact CG-CG 4.26Å; P252-M277 HydrophobicContact CG-SD 3.74Å; M277-G501 CarbonylContact C-O 3.54Å; M277-G501 VanDerWaalsContact C-O 3.31Å; M277-G501 CarbonylContact O-C 3.27Å; M277-G501 WeakPolarHBondContact O-CA 3.33Å
278A93.6Very high88.5Confident6 Ų638 Ų385%0.0522%0.219CC..  trans-134.951.5-179.500000110.9Y201 N203 C280 C503 P512Y201-A278 HydrophobicContact CD1-CB 4.09Å; Y201-A278 PolarHBondContact O-N 2.91Å; N203-A278 WeakPolarHBondContact CA-O 3.03Å; N203-A278 PolarHBondContact ND2-O 3.29Å; A278-C280 PolarHBondContact O-N 3.23Å; A278-C503 HydrophobicContact CB-CB 4.07Å; A278-C503 WeakPolarHBondContact O-CB 3.26Å; A278-P512 HydrophobicContact CB-CB 3.63Å; A278-P512 HydrophobicContact CB-CG 3.99Å
279F95.2Very high88.6Confident4 Ų438.7 Ų38.72%0.01822%0.219CC..EExtended strand (participates in β ladder)trans-59134.4174.6-176.9-120.2000110.4G202 N203 P205 I281 E283 Y284 F294 G501 H502 C503G202-F279 WeakPolarHBondContact O-CA 3.29Å; G202-F279 WeakPolarHBondContact O-CD2 3.05Å; N203-F279 WeakPolarHBondContact O-CD2 3.38Å; P205-F279 HydrophobicContact CB-CE2 3.93Å; P205-F279 HydrophobicContact CB-CZ 4.23Å; F279-I281 PolarHBondContact O-N 3.46Å; F279-I281 VanDerWaalsContact O-N 3.09Å; F279-E283 HydrophobicContact CE1-CB 4.12Å; F279-E283 HydrophobicContact CE2-CG 4.44Å; F279-E283 HydrophobicContact CZ-CB 3.88Å; F279-E283 HydrophobicContact CZ-CG 4.08Å; F279-Y284 HydrophobicContact CD1-CD2 4.39Å; F279-Y284 AromaticContact CD1-CE2 3.86Å; F279-Y284 HydrophobicContact CD1-CE2 3.86Å; F279-Y284 HydrophobicContact CE1-CD2 4.1Å; F279-Y284 AromaticContact CE1-CE2 3.64Å; F279-Y284 HydrophobicContact CE1-CE2 3.64Å; F279-F294 HydrophobicContact CE1-CB 4.04Å; F279-F294 AromaticContact CE1-CD2 4Å; F279-F294 HydrophobicContact CE1-CD2 4Å; F279-F294 HydrophobicContact CE1-CG 4.14Å; F279-F294 HydrophobicContact CZ-CB 4.04Å; F279-F294 HydrophobicContact CZ-CD1 4.21Å; F279-F294 AromaticContact CZ-CD2 3.75Å; F279-F294 HydrophobicContact CZ-CD2 3.75Å; F279-F294 HydrophobicContact CZ-CE2 4.16Å; F279-F294 AromaticContact CZ-CG 3.76Å; F279-F294 HydrophobicContact CZ-CG 3.76Å; F279-G501 PolarHBondContact N-O 2.6Å; F279-H502 CarbonylContact O-C 3.25Å; F279-H502 VanDerWaalsContact O-CA 3.26Å; F279-H502 WeakPolarHBondContact O-CA 3.41Å; F279-C503 PolarHBondContact O-N 3.4Å
280C95.5Very high88.9Confident4 Ų438.7 Ų38.73%0.02722%0.221CC..EExtended strand (participates in β ladder)trans-62.5114.1-174-1780000111.8N203 A278 F282 E283 I430N203-C280 WeakPolarHBondContact O-CB 3.39Å; N203-C280 PolarHBondContact O-N 2.99Å; A278-C280 PolarHBondContact O-N 3.23Å; C280-F282 PolarHBondContact O-N 3.01Å; C280-E283 HydrophobicContact CB-CG 3.95Å; C280-E283 WeakPolarHBondContact O-CB 3.43Å; C280-E283 PolarHBondContact O-N 3.45Å; C280-E283 VanDerWaalsContact O-N 3.13Å; C280-I430 WeakPolarHBondContact SG-CD1 3.47Å
281I95.8Very high89.3Confident0 Ų038.1 Ų38.10%021%0.212CC..Hα-helixtrans-65.4-25.1-177.1-155163.7000112.7F279 E283 Y284 V285 L465 V466 V469 H502 C503 T504 L507F279-I281 PolarHBondContact O-N 3.46Å; F279-I281 VanDerWaalsContact O-N 3.09Å; I281-E283 PolarHBondContact O-N 2.98Å; I281-Y284 PolarHBondContact O-N 2.97Å; I281-Y284 VanDerWaalsContact O-N 3.15Å; I281-V285 PolarHBondContact O-N 2.86Å; I281-L465 HydrophobicContact CD1-CD2 3.7Å; I281-L465 HydrophobicContact CD1-CG 3.73Å; I281-L465 HydrophobicContact CG1-CD2 4.08Å; I281-L465 HydrophobicContact CG1-CG 4.27Å; I281-V466 HydrophobicContact CD1-CG2 4Å; I281-V469 HydrophobicContact CD1-CG2 4.43Å; I281-V469 HydrophobicContact CG1-CG2 4.2Å; I281-H502 HydrophobicContact CB-CB 4.23Å; I281-H502 HydrophobicContact CD1-CB 4.17Å; I281-H502 HydrophobicContact CG1-CB 4.3Å; I281-C503 WeakPolarHBondContact CB-O 3.45Å; I281-C503 VanDerWaalsContact CG2-O 3.22Å; I281-C503 WeakPolarHBondContact CG2-O 3.43Å; I281-C503 PolarHBondContact N-O 2.78Å; I281-T504 HydrophobicContact CD1-CG2 3.8Å; I281-T504 HydrophobicContact CG2-CG2 4.48Å; I281-L507 HydrophobicContact CG2-CD1 4.31Å
282F94.3Very high89.8Confident2 Ų236.5 Ų36.51%0.00921%0.206CC..Hα-helixtrans-73.4-15.4179.2-78.3-89.4000113.8C280 Y284 V285 Y286 F287 I422 I430 C506 L507C280-F282 PolarHBondContact O-N 3.01Å; F282-Y284 PolarHBondContact O-N 3.14Å; F282-V285 HydrophobicContact CD1-CB 4.17Å; F282-V285 HydrophobicContact CD1-CG1 4.32Å; F282-V285 PolarHBondContact O-N 3.29Å; F282-Y286 PolarHBondContact O-N 3.39Å; F282-F287 HydrophobicContact CB-CD2 3.71Å; F282-F287 HydrophobicContact CB-CE2 3.56Å; F282-F287 HydrophobicContact CG-CE2 4.38Å; F282-F287 WeakPolarHBondContact O-CD2 3.25Å; F282-F287 PolarHBondContact O-N 2.79Å; F282-F287 VanDerWaalsContact O-N 3.11Å; F282-I422 HydrophobicContact CE1-CD1 3.68Å; F282-I422 HydrophobicContact CE1-CG1 4.19Å; F282-I422 HydrophobicContact CZ-CD1 3.85Å; F282-I422 HydrophobicContact CZ-CG1 3.93Å; F282-I430 HydrophobicContact CB-CD1 3.77Å; F282-I430 HydrophobicContact CD2-CD1 4.16Å; F282-I430 HydrophobicContact CG-CD1 4.15Å; F282-C506 HydrophobicContact CE2-CB 3.69Å; F282-C506 HydrophobicContact CZ-CB 4.21Å; F282-L507 HydrophobicContact CE2-CD2 4.1Å; F282-L507 HydrophobicContact CE2-CG 4.26Å; F282-L507 HydrophobicContact CZ-CD2 3.73Å; F282-L507 HydrophobicContact CZ-CG 4.38Å
283E95.1Very high90.7Very high0 Ų035.3 Ų35.30%019%0.193CC..Iπ-helixtrans-59.4-40.7167.5-69.5-71.5-177.300109.9R43 R204 P205 F279 C280 I281 A288 F294R43-E283 IonicContact CZ-OE1 3.11Å; R43-E283 IonicContact CZ-OE2 2.73Å; R43-E283 IonicContact NH1-OE1 3.84Å; R43-E283 PolarHBondContact NH1-OE1 3.15Å; R43-E283 IonicContact NH1-OE2 3.4Å; R43-E283 PolarHBondContact NH1-OE2 3.16Å; R43-E283 IonicContact NH2-OE1 3.94Å; R43-E283 IonicContact NH2-OE2 3.16Å; R43-E283 PolarHBondContact NH2-OE2 3.38Å; R204-E283 IonicContact NH1-OE1 3.98Å; P205-E283 WeakPolarHBondContact CD-OE1 3.31Å; P205-E283 HydrophobicContact CG-CG 4.48Å; F279-E283 HydrophobicContact CE1-CB 4.12Å; F279-E283 HydrophobicContact CE2-CG 4.44Å; F279-E283 HydrophobicContact CZ-CB 3.88Å; F279-E283 HydrophobicContact CZ-CG 4.08Å; C280-E283 HydrophobicContact CB-CG 3.95Å; C280-E283 WeakPolarHBondContact O-CB 3.43Å; C280-E283 PolarHBondContact O-N 3.45Å; C280-E283 VanDerWaalsContact O-N 3.13Å; I281-E283 PolarHBondContact O-N 2.98Å; E283-A288 VanDerWaalsContact O-CB 3.24Å; E283-A288 WeakPolarHBondContact O-CB 3.3Å; E283-A288 PolarHBondContact O-N 2.88Å; E283-F294 HydrophobicContact CB-CD2 4.42Å; E283-F294 HydrophobicContact CB-CE2 3.89Å
284Y95.8Very high91.8Very high3 Ų326.2 Ų26.21%0.01215%0.15CC..Iπ-helixtrans-74.7-40.8173.3-72.5-63.1000113.6F279 I281 F282 F294 E295 Q297 V299 V302 R303 V469F279-Y284 HydrophobicContact CD1-CD2 4.39Å; F279-Y284 AromaticContact CD1-CE2 3.86Å; F279-Y284 HydrophobicContact CD1-CE2 3.86Å; F279-Y284 HydrophobicContact CE1-CD2 4.1Å; F279-Y284 AromaticContact CE1-CE2 3.64Å; F279-Y284 HydrophobicContact CE1-CE2 3.64Å; I281-Y284 PolarHBondContact O-N 2.97Å; I281-Y284 VanDerWaalsContact O-N 3.15Å; F282-Y284 PolarHBondContact O-N 3.14Å; Y284-F294 HydrophobicContact CE1-CB 4.14Å; Y284-F294 HydrophobicContact CE1-CD2 4.15Å; Y284-F294 WeakPolarHBondContact OH-CB 3.19Å; Y284-F294 PolarHBondContact OH-O 2.86Å; Y284-E295 WeakPolarHBondContact CE2-OE2 3.42Å; Y284-E295 PolarHBondContact OH-OE2 2.79Å; Y284-Q297 HydrophobicContact CE1-CG 4.18Å; Y284-Q297 WeakPolarHBondContact OH-CG 3.35Å; Y284-Q297 PolarHBondContact OH-NE2 2.99Å; Y284-Q297 VanDerWaalsContact OH-NE2 3.11Å; Y284-V299 HydrophobicContact CD1-CG2 4.1Å; Y284-V299 HydrophobicContact CE1-CG2 4.28Å; Y284-V302 HydrophobicContact CD1-CB 3.8Å; Y284-V302 HydrophobicContact CD1-CG1 3.83Å; Y284-V302 HydrophobicContact CD1-CG2 3.74Å; Y284-V302 HydrophobicContact CE1-CB 4.27Å; Y284-V302 HydrophobicContact CE1-CG2 3.68Å; Y284-V302 HydrophobicContact CG-CB 4.4Å; Y284-V302 HydrophobicContact CG-CG1 3.92Å; Y284-R303 VanDerWaalsContact O-CG 3.31Å; Y284-R303 WeakPolarHBondContact O-CG 3.3Å; Y284-R303 PolarHBondContact O-NE 2.86Å; Y284-V469 HydrophobicContact CD2-CG1 3.56Å; Y284-V469 HydrophobicContact CD2-CG2 4.25Å; Y284-V469 HydrophobicContact CE2-CG1 3.58Å; Y284-V469 HydrophobicContact CG-CG1 4.39Å; Y284-V469 HydrophobicContact CG-CG2 4.47Å
285V93.4Very high92.8Very high10 Ų1024.5 Ų24.56%0.06113%0.125CC..Iπ-helixtrans-65-48.6-175.9176.20000111.9I281 F282 R303 L465I281-V285 PolarHBondContact O-N 2.86Å; F282-V285 HydrophobicContact CD1-CB 4.17Å; F282-V285 HydrophobicContact CD1-CG1 4.32Å; F282-V285 PolarHBondContact O-N 3.29Å; V285-R303 PolarHBondContact O-NE 3.44Å; V285-L465 HydrophobicContact CG2-CD1 4Å; V285-L465 HydrophobicContact CG2-CD2 3.95Å
286Y88.9Confident93.3Very high70 Ų7024.6 Ų24.628%0.27513%0.125SC..Iπ-helixtrans-142.4-47.8-166.7176.9-105.2000114.8F282 R303 D390F282-Y286 PolarHBondContact O-N 3.39Å; Y286-R303 PolarHBondContact O-NH2 2.97Å; Y286-D390 WeakPolarHBondContact CD2-OD2 3.42Å
287F87.4Confident93.6Very high8 Ų822.3 Ų22.34%0.03511%0.109CC..Iπ-helixtrans-68.7-49.5-162.6-69.7-61.3000115.1V8 R9 E10 H42 F282 I430V8-F287 HydrophobicContact CB-CZ 4Å; V8-F287 HydrophobicContact CG1-CE1 4.34Å; V8-F287 HydrophobicContact CG1-CE2 4.39Å; V8-F287 HydrophobicContact CG1-CZ 3.52Å; R9-F287 VanDerWaalsContact O-CE1 3.29Å; R9-F287 WeakPolarHBondContact O-CE1 3.47Å; E10-F287 HydrophobicContact CB-CD1 4.39Å; E10-F287 HydrophobicContact CG-CD1 4.15Å; E10-F287 HydrophobicContact CG-CE1 4.47Å; H42-F287 PolarHBondContact CD2-O 3.04Å; F282-F287 HydrophobicContact CB-CD2 3.71Å; F282-F287 HydrophobicContact CB-CE2 3.56Å; F282-F287 HydrophobicContact CG-CE2 4.38Å; F282-F287 WeakPolarHBondContact O-CD2 3.25Å; F282-F287 PolarHBondContact O-N 2.79Å; F282-F287 VanDerWaalsContact O-N 3.11Å; F287-I430 HydrophobicContact CD2-CD1 4.39Å; F287-I430 HydrophobicContact CE1-CG2 4.4Å; F287-I430 HydrophobicContact CE2-CB 4.44Å; F287-I430 HydrophobicContact CE2-CD1 3.61Å; F287-I430 HydrophobicContact CE2-CG1 3.87Å; F287-I430 HydrophobicContact CE2-CG2 3.64Å; F287-I430 HydrophobicContact CZ-CB 4.46Å; F287-I430 HydrophobicContact CZ-CD1 4.42Å; F287-I430 HydrophobicContact CZ-CG1 4.34Å; F287-I430 HydrophobicContact CZ-CG2 3.32Å
288A92.9Very high93.8Very high2 Ų223.8 Ų23.82%0.01712%0.117CC..SBendtrans-71.6151.6-173.300000111.2E235 E283 F294 V299 R303E235-A288 WeakPolarHBondContact OE2-CA 3.28Å; E235-A288 VanDerWaalsContact OE2-CB 3.32Å; E235-A288 WeakPolarHBondContact OE2-CB 3.37Å; E283-A288 VanDerWaalsContact O-CB 3.24Å; E283-A288 WeakPolarHBondContact O-CB 3.3Å; E283-A288 PolarHBondContact O-N 2.88Å; A288-F294 HydrophobicContact CB-CD2 4.46Å; A288-F294 HydrophobicContact CB-CE2 3.3Å; A288-F294 HydrophobicContact CB-CZ 3.66Å; A288-V299 HydrophobicContact CB-CG1 4.41Å; A288-V299 HydrophobicContact CB-CG2 3.88Å; A288-R303 PolarHBondContact O-NH2 3.04Å
289R93.8Very high94Very high66 Ų6623.5 Ų23.525%0.24912%0.115CC..  trans-66.2139174-147169.174.2-1668.8108.5G39 E235 C237 D291 S292G39-R289 PolarHBondContact O-NH1 2.65Å; E235-R289 PolarHBondContact OE2-N 3.07Å; C237-R289 HydrophobicContact CB-CB 4.24Å; C237-R289 PolarHBondContact O-NH2 3.24Å; R289-D291 WeakPolarHBondContact CB-OD1 3.47Å; R289-D291 VanDerWaalsContact CG-OD1 3.24Å; R289-D291 WeakPolarHBondContact CG-OD1 3.44Å; R289-D291 IonicContact CZ-OD1 2.73Å; R289-D291 IonicContact CZ-OD2 3.18Å; R289-D291 IonicContact NE-OD1 2.84Å; R289-D291 PolarHBondContact NE-OD1 3.46Å; R289-D291 IonicContact NE-OD2 3.52Å; R289-D291 PolarHBondContact NE-OD2 2.91Å; R289-D291 IonicContact NH2-OD1 3.87Å; R289-D291 IonicContact NH2-OD2 3.4Å; R289-D291 PolarHBondContact NH2-OD2 3.43Å; R289-D291 PolarHBondContact O-N 2.63Å; R289-D291 VanDerWaalsContact O-N 3.08Å; R289-S292 VanDerWaalsContact O-CB 3.27Å; R289-S292 WeakPolarHBondContact O-CB 3.5Å; R289-S292 PolarHBondContact O-N 3.07Å; R289-S292 PolarHBondContact O-OG 3.42Å
290P94.5Very high94.1Very high41 Ų4127.7 Ų27.727%0.26613%0.131SC..THydrogen-bonded Turntrans-58.6-26-174.8-28.135.3000115.1S292 M298 Y300P290-S292 VanDerWaalsContact C-N 3.32Å; P290-M298 WeakPolarHBondContact O-CG 3.37Å; P290-Y300 HydrophobicContact CB-CD2 4.09Å; P290-Y300 VanDerWaalsContact O-CB 3.26Å; P290-Y300 WeakPolarHBondContact O-CB 3.27Å; P290-Y300 PolarHBondContact O-N 3.42Å
291D94.9Very high94.2Very high59 Ų5930.2 Ų30.232%0.31615%0.146SC..THydrogen-bonded Turntrans-86.94.8177.864-33.2000114R289R289-D291 WeakPolarHBondContact CB-OD1 3.47Å; R289-D291 VanDerWaalsContact CG-OD1 3.24Å; R289-D291 WeakPolarHBondContact CG-OD1 3.44Å; R289-D291 IonicContact CZ-OD1 2.73Å; R289-D291 IonicContact CZ-OD2 3.18Å; R289-D291 IonicContact NE-OD1 2.84Å; R289-D291 PolarHBondContact NE-OD1 3.46Å; R289-D291 IonicContact NE-OD2 3.52Å; R289-D291 PolarHBondContact NE-OD2 2.91Å; R289-D291 IonicContact NH2-OD1 3.87Å; R289-D291 IonicContact NH2-OD2 3.4Å; R289-D291 PolarHBondContact NH2-OD2 3.43Å; R289-D291 PolarHBondContact O-N 2.63Å; R289-D291 VanDerWaalsContact O-N 3.08Å
292S96.3Very high94.3Very high0 Ų030.2 Ų30.20%015%0.146CC..  trans-75.1149.9170.1-70.10000112.5E235 C237 R289 P290 M298 V299E235-S292 WeakPolarHBondContact CB-OG 3.38Å; E235-S292 VanDerWaalsContact OE2-CB 3.32Å; E235-S292 WeakPolarHBondContact OE2-CB 3.46Å; E235-S292 PolarHBondContact OE2-OG 2.92Å; C237-S292 WeakPolarHBondContact CB-OG 3.32Å; R289-S292 VanDerWaalsContact O-CB 3.27Å; R289-S292 WeakPolarHBondContact O-CB 3.5Å; R289-S292 PolarHBondContact O-N 3.07Å; R289-S292 PolarHBondContact O-OG 3.42Å; P290-S292 VanDerWaalsContact C-N 3.32Å; S292-M298 WeakPolarHBondContact O-CA 2.78Å; S292-V299 PolarHBondContact O-N 3.43Å
293M94.9Very high94.4Very high52 Ų5230.7 Ų30.726%0.25615%0.148SC..EExtended strand (participates in β ladder)trans-109.8126.8175.3-65.6-66.3-62.400109.7S236 D296 Q297 M298S236-M293 PolarHBondContact OG-N 3.24Å; M293-D296 WeakPolarHBondContact CE-O 3.32Å; M293-Q297 WeakPolarHBondContact CA-O 3.18Å; M293-M298 VanDerWaalsContact SD-CA 3.56Å; M293-M298 HydrophobicContact SD-CB 3.66Å; M293-M298 HydrophobicContact SD-CE 4.26Å; M293-M298 HydrophobicContact SD-CG 4.34Å
294F94.9Very high94.6Very high2 Ų234.4 Ų34.41%0.00916%0.162CC..EExtended strand (participates in β ladder)trans-136143.4168.9-57.1-46.2000109.2P205 E235 E249 F279 E283 Y284 A288 D296 Q297 V299P205-F294 HydrophobicContact CB-CD1 3.92Å; P205-F294 HydrophobicContact CB-CE1 3.35Å; P205-F294 HydrophobicContact CB-CZ 3.83Å; P205-F294 HydrophobicContact CG-CE1 4.04Å; P205-F294 HydrophobicContact CG-CZ 4.03Å; E235-F294 HydrophobicContact CG-CE1 4.04Å; E235-F294 HydrophobicContact CG-CZ 3.74Å; E249-F294 WeakPolarHBondContact OE1-CA 3.23Å; F279-F294 HydrophobicContact CE1-CB 4.04Å; F279-F294 AromaticContact CE1-CD2 4Å; F279-F294 HydrophobicContact CE1-CD2 4Å; F279-F294 HydrophobicContact CE1-CG 4.14Å; F279-F294 HydrophobicContact CZ-CB 4.04Å; F279-F294 HydrophobicContact CZ-CD1 4.21Å; F279-F294 AromaticContact CZ-CD2 3.75Å; F279-F294 HydrophobicContact CZ-CD2 3.75Å; F279-F294 HydrophobicContact CZ-CE2 4.16Å; F279-F294 AromaticContact CZ-CG 3.76Å; F279-F294 HydrophobicContact CZ-CG 3.76Å; E283-F294 HydrophobicContact CB-CD2 4.42Å; E283-F294 HydrophobicContact CB-CE2 3.89Å; Y284-F294 HydrophobicContact CE1-CB 4.14Å; Y284-F294 HydrophobicContact CE1-CD2 4.15Å; Y284-F294 WeakPolarHBondContact OH-CB 3.19Å; Y284-F294 PolarHBondContact OH-O 2.86Å; A288-F294 HydrophobicContact CB-CD2 4.46Å; A288-F294 HydrophobicContact CB-CE2 3.3Å; A288-F294 HydrophobicContact CB-CZ 3.66Å; F294-D296 PolarHBondContact O-N 2.94Å; F294-Q297 PolarHBondContact N-O 3Å; F294-Q297 WeakPolarHBondContact O-CG 3.35Å; F294-Q297 PolarHBondContact O-N 2.91Å; F294-V299 HydrophobicContact CD2-CG2 3.7Å; F294-V299 HydrophobicContact CE2-CG2 3.79Å
295E92.7Very high94.7Very high30 Ų3036.3 Ų36.314%0.1417%0.169CC..THydrogen-bonded Turntrans49.442.7-179.5-54.1-179104.100112E249 Y284 Q297 I473 H502E249-E295 VanDerWaalsContact CD-N 3.26Å; E249-E295 PolarHBondContact OE1-N 2.93Å; E249-E295 WeakPolarHBondContact OE2-CA 3.35Å; E249-E295 PolarHBondContact OE2-N 3.34Å; Y284-E295 WeakPolarHBondContact CE2-OE2 3.42Å; Y284-E295 PolarHBondContact OH-OE2 2.79Å; E295-Q297 PolarHBondContact O-N 3.03Å; E295-Q297 VanDerWaalsContact O-N 3.17Å; E295-I473 HydrophobicContact CB-CD1 4.43Å; E295-I473 HydrophobicContact CB-CG1 4.33Å; E295-H502 IonicContact OE1-NE2 2.89Å; E295-H502 IonicContact OE2-CD2 2.74Å; E295-H502 IonicContact OE2-CE1 3.5Å; E295-H502 IonicContact OE2-NE2 3.24Å; E295-H502 PolarHBondContact OE2-NE2 2.81Å
296D90.7Very high94.9Very high60 Ų6036.1 Ų36.132%0.32117%0.169SC..THydrogen-bonded Turntrans58.819-176.1-83.1-30.8000115.7M293 F294 K476M293-D296 WeakPolarHBondContact CE-O 3.32Å; F294-D296 PolarHBondContact O-N 2.94Å; D296-K476 IonicContact OD1-NZ 2.89Å; D296-K476 PolarHBondContact OD1-NZ 3.21Å; D296-K476 WeakPolarHBondContact OD2-CE 3.34Å; D296-K476 IonicContact OD2-NZ 3.43Å; D296-K476 PolarHBondContact OD2-NZ 3.35Å
297Q93.7Very high95.4Very high8 Ų832.8 Ų32.84%0.03716%0.156CC..EExtended strand (participates in β ladder)trans-130.8148.3176.957.7179-1700113.2Y284 M293 F294 E295 V302 V469 I473Y284-Q297 HydrophobicContact CE1-CG 4.18Å; Y284-Q297 WeakPolarHBondContact OH-CG 3.35Å; Y284-Q297 PolarHBondContact OH-NE2 2.99Å; Y284-Q297 VanDerWaalsContact OH-NE2 3.11Å; M293-Q297 WeakPolarHBondContact CA-O 3.18Å; F294-Q297 PolarHBondContact N-O 3Å; F294-Q297 WeakPolarHBondContact O-CG 3.35Å; F294-Q297 PolarHBondContact O-N 2.91Å; E295-Q297 PolarHBondContact O-N 3.03Å; E295-Q297 VanDerWaalsContact O-N 3.17Å; Q297-V302 HydrophobicContact CG-CG2 3.98Å; Q297-V469 PolarHBondContact NE2-O 2.89Å; Q297-V469 PolarHBondContact OE1-O 2.7Å; Q297-I473 VanDerWaalsContact NE2-CG1 3.26Å
298M95.9Very high95.9Very high73 Ų7335.6 Ų35.636%0.3617%0.169SC..EExtended strand (participates in β ladder)trans-79.1136178.3-173.1174.7-76.700110.6P290 S292 M293 Y300 T301 V302P290-M298 WeakPolarHBondContact O-CG 3.37Å; S292-M298 WeakPolarHBondContact O-CA 2.78Å; M293-M298 VanDerWaalsContact SD-CA 3.56Å; M293-M298 HydrophobicContact SD-CB 3.66Å; M293-M298 HydrophobicContact SD-CE 4.26Å; M293-M298 HydrophobicContact SD-CG 4.34Å; M298-Y300 VanDerWaalsContact C-N 3.26Å; M298-Y300 PolarHBondContact O-N 2.93Å; M298-T301 WeakPolarHBondContact O-CB 3.37Å; M298-T301 PolarHBondContact O-N 3.29Å; M298-V302 PolarHBondContact O-N 2.89Å
299V97.1Very high96.2Very high0 Ų038 Ų380%018%0.18CC..Hα-helixtrans-56.6-40.8178.3173.60000111.5Y284 A288 S292 F294 T301 V302 R303Y284-V299 HydrophobicContact CD1-CG2 4.1Å; Y284-V299 HydrophobicContact CE1-CG2 4.28Å; A288-V299 HydrophobicContact CB-CG1 4.41Å; A288-V299 HydrophobicContact CB-CG2 3.88Å; S292-V299 PolarHBondContact O-N 3.43Å; F294-V299 HydrophobicContact CD2-CG2 3.7Å; F294-V299 HydrophobicContact CE2-CG2 3.79Å; V299-T301 VanDerWaalsContact C-N 3.32Å; V299-T301 PolarHBondContact O-N 3.21Å; V299-V302 PolarHBondContact O-N 2.86Å; V299-R303 HydrophobicContact CG1-CG 4.5Å; V299-R303 PolarHBondContact O-N 3.25Å
300Y97.4Very high96.4Very high92 Ų9234.8 Ų34.836%0.36117%0.168SC..Hα-helixtrans-54.1-47.3174.8-176.6-82.7000112.1P290 M298 V302 R303 Y304 P330P290-Y300 HydrophobicContact CB-CD2 4.09Å; P290-Y300 VanDerWaalsContact O-CB 3.26Å; P290-Y300 WeakPolarHBondContact O-CB 3.27Å; P290-Y300 PolarHBondContact O-N 3.42Å; M298-Y300 VanDerWaalsContact C-N 3.26Å; M298-Y300 PolarHBondContact O-N 2.93Å; Y300-V302 VanDerWaalsContact C-N 3.33Å; Y300-V302 PolarHBondContact O-N 3.39Å; Y300-R303 PolarHBondContact O-N 3.48Å; Y300-Y304 HydrophobicContact CE1-CD2 4.41Å; Y300-Y304 WeakPolarHBondContact O-CB 3.42Å; Y300-Y304 PolarHBondContact O-N 3.34Å; Y300-P330 HydrophobicContact CD2-CB 3.93Å; Y300-P330 HydrophobicContact CD2-CG 3.55Å; Y300-P330 HydrophobicContact CE1-CB 4.39Å; Y300-P330 HydrophobicContact CE2-CB 3.77Å; Y300-P330 HydrophobicContact CE2-CG 3.57Å; Y300-P330 HydrophobicContact CG-CB 4.32Å; Y300-P330 HydrophobicContact CG-CG 4.28Å
301T97.2Very high96.6Very high56 Ų5633.1 Ų33.134%0.34416%0.157SC..Hα-helixtrans-64.3-39.8-178.8-54.60000111.3M298 V299 Y304 R305M298-T301 WeakPolarHBondContact O-CB 3.37Å; M298-T301 PolarHBondContact O-N 3.29Å; V299-T301 VanDerWaalsContact C-N 3.32Å; V299-T301 PolarHBondContact O-N 3.21Å; T301-Y304 WeakPolarHBondContact O-CB 3.47Å; T301-Y304 PolarHBondContact O-N 3.07Å; T301-R305 WeakPolarHBondContact O-CG 3.39Å; T301-R305 PolarHBondContact O-N 3.37Å
302V97.6Very high96.8Very high0 Ų034.7 Ų34.70%017%0.165CC..Hα-helixtrans-63.9-47.7176.4176.50000111Y284 Q297 M298 V299 Y300 Y304 R305 C306 V469Y284-V302 HydrophobicContact CD1-CB 3.8Å; Y284-V302 HydrophobicContact CD1-CG1 3.83Å; Y284-V302 HydrophobicContact CD1-CG2 3.74Å; Y284-V302 HydrophobicContact CE1-CB 4.27Å; Y284-V302 HydrophobicContact CE1-CG2 3.68Å; Y284-V302 HydrophobicContact CG-CB 4.4Å; Y284-V302 HydrophobicContact CG-CG1 3.92Å; Q297-V302 HydrophobicContact CG-CG2 3.98Å; M298-V302 PolarHBondContact O-N 2.89Å; V299-V302 PolarHBondContact O-N 2.86Å; Y300-V302 VanDerWaalsContact C-N 3.33Å; Y300-V302 PolarHBondContact O-N 3.39Å; V302-Y304 VanDerWaalsContact C-N 3.25Å; V302-Y304 PolarHBondContact O-N 3.19Å; V302-R305 WeakPolarHBondContact O-CB 3.21Å; V302-R305 PolarHBondContact O-N 2.94Å; V302-R305 VanDerWaalsContact O-N 3.09Å; V302-C306 PolarHBondContact O-N 2.93Å; V302-C306 PolarHBondContact O-SG 3.33Å; V302-C306 VanDerWaalsContact O-SG 3.32Å; V302-V469 HydrophobicContact CG1-CB 4.31Å; V302-V469 HydrophobicContact CG1-CG2 3.72Å
303R98.1Very high96.9Very high12 Ų1238.1 Ų38.15%0.04518%0.181CC..Hα-helixtrans-60.5-36.2176.3-68.9-176.7-173.1173.79.6112.5Y284 V285 Y286 A288 V299 Y300 C306 G307 S327 P330 A331Y284-R303 VanDerWaalsContact O-CG 3.31Å; Y284-R303 WeakPolarHBondContact O-CG 3.3Å; Y284-R303 PolarHBondContact O-NE 2.86Å; V285-R303 PolarHBondContact O-NE 3.44Å; Y286-R303 PolarHBondContact O-NH2 2.97Å; A288-R303 PolarHBondContact O-NH2 3.04Å; V299-R303 HydrophobicContact CG1-CG 4.5Å; V299-R303 PolarHBondContact O-N 3.25Å; Y300-R303 PolarHBondContact O-N 3.48Å; R303-C306 PolarHBondContact O-N 3.13Å; R303-G307 PolarHBondContact O-N 3.15Å; R303-G307 VanDerWaalsContact O-N 3.09Å; R303-S327 PolarHBondContact NH1-O 2.86Å; R303-P330 HydrophobicContact CB-CB 3.89Å; R303-P330 HydrophobicContact CB-CG 4.21Å; R303-A331 WeakPolarHBondContact O-CA 3.25Å; R303-A331 WeakPolarHBondContact O-CB 3.48Å
304Y98.1Very high97Very high79 Ų7936 Ų3631%0.3117%0.171SC..Hα-helixtrans-61.3-47.8173.2-167.5-86.2000111.1Y300 T301 V302 C306 G307 Q308 P330 L333 A334Y300-Y304 HydrophobicContact CE1-CD2 4.41Å; Y300-Y304 WeakPolarHBondContact O-CB 3.42Å; Y300-Y304 PolarHBondContact O-N 3.34Å; T301-Y304 WeakPolarHBondContact O-CB 3.47Å; T301-Y304 PolarHBondContact O-N 3.07Å; V302-Y304 VanDerWaalsContact C-N 3.25Å; V302-Y304 PolarHBondContact O-N 3.19Å; Y304-C306 PolarHBondContact O-N 2.76Å; Y304-G307 PolarHBondContact O-N 2.99Å; Y304-G307 VanDerWaalsContact O-N 3.13Å; Y304-Q308 HydrophobicContact CD1-CG 4.2Å; Y304-Q308 HydrophobicContact CE1-CG 4.04Å; Y304-Q308 PolarHBondContact O-N 3.1Å; Y304-Q308 VanDerWaalsContact O-N 3.08Å; Y304-P330 WeakPolarHBondContact CD2-O 3.3Å; Y304-L333 HydrophobicContact CE2-CB 4.36Å; Y304-A334 HydrophobicContact CD1-CB 3.86Å; Y304-A334 HydrophobicContact CD2-CB 3.68Å; Y304-A334 HydrophobicContact CE1-CB 3.93Å; Y304-A334 HydrophobicContact CE2-CB 3.74Å; Y304-A334 HydrophobicContact CG-CB 3.74Å; Y304-A334 WeakPolarHBondContact O-CB 3.42Å
305R98.2Very high97.1Very high42 Ų4239.8 Ų39.816%0.15820%0.196CC..Hα-helixtrans-59.8-43.3175.1-66.7-175.6-162.6118.61.5112.5T301 V302 G307 Q308 Q309 G472T301-R305 WeakPolarHBondContact O-CG 3.39Å; T301-R305 PolarHBondContact O-N 3.37Å; V302-R305 WeakPolarHBondContact O-CB 3.21Å; V302-R305 PolarHBondContact O-N 2.94Å; V302-R305 VanDerWaalsContact O-N 3.09Å; R305-G307 PolarHBondContact O-N 3.45Å; R305-Q308 WeakPolarHBondContact O-CB 3.41Å; R305-Q308 PolarHBondContact O-N 2.92Å; R305-Q309 PolarHBondContact O-N 2.86Å; R305-G472 VanDerWaalsContact CZ-CA 3.49Å; R305-G472 VanDerWaalsContact NH1-CA 3.3Å; R305-G472 VanDerWaalsContact NH2-CA 3.33Å
306C98.3Very high97.4Very high7 Ų740 Ų405%0.04720%0.2CC..Hα-helixtrans-56.4-39.9175.2-63.60000111.9V302 R303 Y304 Q309 L310 L460V302-C306 PolarHBondContact O-N 2.93Å; V302-C306 PolarHBondContact O-SG 3.33Å; V302-C306 VanDerWaalsContact O-SG 3.32Å; R303-C306 PolarHBondContact O-N 3.13Å; Y304-C306 PolarHBondContact O-N 2.76Å; C306-Q309 PolarHBondContact O-N 2.68Å; C306-L310 VanDerWaalsContact O-CB 3.27Å; C306-L310 WeakPolarHBondContact O-CB 3.29Å; C306-L310 PolarHBondContact O-N 3.43Å; C306-L460 HydrophobicContact CB-CD2 4.01Å
307G98.3Very high97.7Very high0 Ų042.5 Ų42.50%021%0.213CC..Hα-helixtrans-66-38.1174.500000113.9R303 Y304 R305 L310 A311 A331R303-G307 PolarHBondContact O-N 3.15Å; R303-G307 VanDerWaalsContact O-N 3.09Å; Y304-G307 PolarHBondContact O-N 2.99Å; Y304-G307 VanDerWaalsContact O-N 3.13Å; R305-G307 PolarHBondContact O-N 3.45Å; G307-L310 PolarHBondContact O-N 3.4Å; G307-A311 PolarHBondContact O-N 2.92Å; G307-A311 VanDerWaalsContact O-N 3.09Å; G307-A331 WeakPolarHBondContact CA-O 3.41Å
308Q98.5Very high97.9Very high67 Ų6742.3 Ų42.331%0.31321%0.213SC..Hα-helixtrans-65.1-44.1174.1-62.6-175.4-51.400111.2Y304 R305 A311 I312 A334Y304-Q308 HydrophobicContact CD1-CG 4.2Å; Y304-Q308 HydrophobicContact CE1-CG 4.04Å; Y304-Q308 PolarHBondContact O-N 3.1Å; Y304-Q308 VanDerWaalsContact O-N 3.08Å; R305-Q308 WeakPolarHBondContact O-CB 3.41Å; R305-Q308 PolarHBondContact O-N 2.92Å; Q308-A311 PolarHBondContact O-N 3.26Å; Q308-I312 WeakPolarHBondContact O-CG1 3.46Å; Q308-I312 PolarHBondContact O-N 3.27Å; Q308-I312 VanDerWaalsContact O-N 3.17Å; Q308-A334 HydrophobicContact CG-CB 3.79Å
309Q98.7Very high98Very high51 Ų5141.7 Ų41.724%0.23821%0.211CC..Hα-helixtrans-65-40.8178.1-174.459.822.300111.3R305 C306 A311 I312 E313 L460 S468R305-Q309 PolarHBondContact O-N 2.86Å; C306-Q309 PolarHBondContact O-N 2.68Å; Q309-A311 VanDerWaalsContact C-N 3.29Å; Q309-A311 PolarHBondContact O-N 2.61Å; Q309-I312 WeakPolarHBondContact O-CB 3.24Å; Q309-I312 PolarHBondContact O-N 3.05Å; Q309-E313 WeakPolarHBondContact CG-OE1 3.39Å; Q309-E313 PolarHBondContact NE2-OE1 3.35Å; Q309-E313 PolarHBondContact O-N 3.38Å; Q309-L460 HydrophobicContact CB-CD1 4.05Å; Q309-L460 HydrophobicContact CG-CD1 3.74Å; Q309-S468 WeakPolarHBondContact CB-OG 3.3Å
310L98.6Very high98Very high0 Ų041.8 Ų41.80%021%0.211CC..Hα-helixtrans-60.8-37174.8-17760.5000112.5C306 G307 I312 E313 A314 Y335 V388 R416 A418 L460C306-L310 VanDerWaalsContact O-CB 3.27Å; C306-L310 WeakPolarHBondContact O-CB 3.29Å; C306-L310 PolarHBondContact O-N 3.43Å; G307-L310 PolarHBondContact O-N 3.4Å; L310-I312 VanDerWaalsContact C-N 3.32Å; L310-E313 PolarHBondContact O-N 3Å; L310-A314 HydrophobicContact CD1-CB 4.31Å; L310-A314 WeakPolarHBondContact O-CB 3.37Å; L310-A314 PolarHBondContact O-N 2.94Å; L310-Y335 HydrophobicContact CB-CD2 4.19Å; L310-Y335 HydrophobicContact CD2-CD2 4.23Å; L310-Y335 HydrophobicContact CG-CD2 3.93Å; L310-Y335 HydrophobicContact CG-CE2 4.1Å; L310-V388 HydrophobicContact CD2-CG1 4.34Å; L310-R416 HydrophobicContact CD2-CB 3.71Å; L310-R416 HydrophobicContact CG-CB 4.2Å; L310-A418 HydrophobicContact CD2-CB 4.27Å; L310-L460 HydrophobicContact CB-CD1 4.19Å; L310-L460 HydrophobicContact CD1-CB 4.11Å
311A98.4Very high98.1Very high6 Ų637.4 Ų37.45%0.0519%0.194CC..Hα-helixtrans-69.7-27.7174.500000113.5G307 Q308 Q309 P315 Y335 K338G307-A311 PolarHBondContact O-N 2.92Å; G307-A311 VanDerWaalsContact O-N 3.09Å; Q308-A311 PolarHBondContact O-N 3.26Å; Q309-A311 VanDerWaalsContact C-N 3.29Å; Q309-A311 PolarHBondContact O-N 2.61Å; A311-P315 WeakPolarHBondContact O-CD 3.4Å; A311-Y335 VanDerWaalsContact CA-CE2 3.47Å; A311-Y335 HydrophobicContact CB-CD2 3.58Å; A311-Y335 HydrophobicContact CB-CE2 3.91Å; A311-Y335 HydrophobicContact CB-CG 3.95Å; A311-K338 HydrophobicContact CB-CB 3.63Å; A311-K338 HydrophobicContact CB-CG 3.64Å
312I98.4Very high98.1Very high92 Ų9234.8 Ų34.847%0.47218%0.178SC..Hα-helixtrans-73.7-45.9173.6-66165.4000110Q308 Q309 L310 K338Q308-I312 WeakPolarHBondContact O-CG1 3.46Å; Q308-I312 PolarHBondContact O-N 3.27Å; Q308-I312 VanDerWaalsContact O-N 3.17Å; Q309-I312 WeakPolarHBondContact O-CB 3.24Å; Q309-I312 PolarHBondContact O-N 3.05Å; L310-I312 VanDerWaalsContact C-N 3.32Å; I312-K338 HydrophobicContact CG1-CG 4.5Å
313E98.4Very high98.1Very high71 Ų7134.8 Ų34.833%0.33218%0.178SC..Hα-helixtrans-75.6-33.6-175.4-70.1-179.6-160.800113.1Q309 L310 S461 G464Q309-E313 WeakPolarHBondContact CG-OE1 3.39Å; Q309-E313 PolarHBondContact NE2-OE1 3.35Å; Q309-E313 PolarHBondContact O-N 3.38Å; L310-E313 PolarHBondContact O-N 3Å; E313-S461 PolarHBondContact OE1-OG 3.2Å; E313-S461 WeakPolarHBondContact OE2-CB 3.41Å; E313-S461 PolarHBondContact OE2-N 3.09Å; E313-S461 PolarHBondContact OE2-OG 3.13Å; E313-G464 VanDerWaalsContact OE1-CA 3.32Å; E313-G464 WeakPolarHBondContact OE1-CA 3.31Å
314A97.7Very high97.7Very high7 Ų734.7 Ų34.76%0.05818%0.179CC..SBendtrans-138.750.4-16800000114.4L310 Y335 R416 V458L310-A314 HydrophobicContact CD1-CB 4.31Å; L310-A314 WeakPolarHBondContact O-CB 3.37Å; L310-A314 PolarHBondContact O-N 2.94Å; A314-Y335 PolarHBondContact O-OH 3.38Å; A314-R416 PolarHBondContact O-NE 3.04Å; A314-R416 PolarHBondContact O-NH2 3.04Å; A314-V458 HydrophobicContact CB-CB 3.83Å; A314-V458 HydrophobicContact CB-CG1 3.41Å; A314-V458 VanDerWaalsContact CB-CG1 3.41Å; A314-V458 HydrophobicContact CB-CG2 4.46Å
315P97.6Very high97.2Very high82 Ų8232.1 Ų32.153%0.53217%0.172SC..  trans-62.1156.9176.429.6-35.5000111.8A311A311-P315 WeakPolarHBondContact O-CD 3.4Å
316V97.8Very high96.5Very high36 Ų3634.5 Ų34.522%0.21819%0.185CC..  trans-152.6144.8171.760.80000110.5A318 V386 H414 R416V316-A318 PolarHBondContact O-N 2.96Å; V316-V386 HydrophobicContact CG1-CG2 3.53Å; V316-H414 HydrophobicContact CG1-CB 4.16Å; V316-R416 VanDerWaalsContact CB-NH2 3.34Å
317D96.9Very high96Very high111 Ų11135.3 Ų35.359%0.59419%0.191SC*.  trans-72.8116.3173.2179.522.7000110.1R384D317-R384 IonicContact OD1-CZ 3.73Å; D317-R384 IonicContact OD1-NH1 3.39Å; D317-R384 PolarHBondContact OD1-NH1 3.02Å; D317-R384 IonicContact OD1-NH2 2.82Å; D317-R384 PolarHBondContact OD1-NH2 2.57Å; D317-R384 IonicContact OD2-CZ 3.13Å; D317-R384 IonicContact OD2-NH1 3.75Å; D317-R384 PolarHBondContact OD2-NH1 2.84Å; D317-R384 IonicContact OD2-NH2 3.94Å; D317-R384 PolarHBondContact OD2-NH2 2.85Å
318A97.9Very high95.7Very high5 Ų535.4 Ų35.44%0.04119%0.191CC..  trans-153.1173.7-177.100000109.4V316 L341 R384 V386V316-A318 PolarHBondContact O-N 2.96Å; A318-L341 HydrophobicContact CB-CD1 4.38Å; A318-L341 VanDerWaalsContact O-CD2 3.23Å; A318-L341 WeakPolarHBondContact O-CD2 3.25Å; A318-R384 HydrophobicContact CB-CB 4.2Å; A318-V386 HydrophobicContact CB-CG2 3.5Å
319D98.4Very high95.6Very high60 Ų6034 Ų3432%0.32119%0.187SC..SBendtrans-102.1-23.7-174.4-49-36.5000112.3P342 K383 R384D319-P342 WeakPolarHBondContact O-CG 3.11Å; D319-K383 HydrophobicContact CB-CB 4.06Å; D319-K383 HydrophobicContact CB-CD 4.43Å; D319-K383 HydrophobicContact CB-CG 4.43Å; D319-K383 VanDerWaalsContact OD2-CA 3.31Å; D319-K383 WeakPolarHBondContact OD2-CA 3.47Å; D319-R384 PolarHBondContact N-O 3Å; D319-R384 IonicContact OD1-CZ 3.53Å; D319-R384 IonicContact OD1-NE 2.73Å; D319-R384 PolarHBondContact OD1-NE 3.14Å; D319-R384 VanDerWaalsContact OD1-NE 3.09Å; D319-R384 IonicContact OD1-NH2 3.45Å; D319-R384 PolarHBondContact OD1-NH2 3.35Å; D319-R384 PolarHBondContact OD2-N 3.11Å; D319-R384 IonicContact OD2-NE 3.54Å
320L98.4Very high95.6Very high1 Ų131.7 Ų31.71%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-155.9162.9176.864.687.5000112.5P342 V344 V346 F380 K383 R384 I385 V386L320-P342 HydrophobicContact CB-CG 4.25Å; L320-V344 HydrophobicContact CB-CB 4.38Å; L320-V344 HydrophobicContact CB-CG2 4.07Å; L320-V344 HydrophobicContact CD1-CB 4.39Å; L320-V344 HydrophobicContact CD2-CB 4.25Å; L320-V344 HydrophobicContact CD2-CG2 4.38Å; L320-V346 HydrophobicContact CD1-CG1 3.91Å; L320-F380 HydrophobicContact CD2-CB 3.9Å; L320-K383 HydrophobicContact CD2-CB 4.37Å; L320-K383 HydrophobicContact CD2-CD 3.72Å; L320-R384 PolarHBondContact N-O 2.82Å; L320-I385 HydrophobicContact CD1-CB 4.23Å; L320-I385 HydrophobicContact CD1-CG1 4.01Å; L320-I385 HydrophobicContact CD1-CG2 3.8Å; L320-I385 HydrophobicContact CG-CG1 4.38Å; L320-V386 PolarHBondContact O-N 3.11Å
321V98.6Very high95.5Very high0 Ų031.8 Ų31.80%018%0.178CC..EExtended strand (participates in β ladder)trans-116.4140.8172.7-178.70000109.3A332 Y335 A336 L341 P342 Y343 V344 V386 V388V321-A332 HydrophobicContact CG1-CB 4.39Å; V321-Y335 HydrophobicContact CG1-CD1 4.11Å; V321-Y335 HydrophobicContact CG2-CD1 3.89Å; V321-Y335 HydrophobicContact CG2-CE1 4.2Å; V321-A336 HydrophobicContact CB-CB 3.75Å; V321-A336 HydrophobicContact CG1-CB 4.08Å; V321-A336 HydrophobicContact CG2-CB 3.93Å; V321-L341 HydrophobicContact CG2-CB 3.75Å; V321-L341 HydrophobicContact CG2-CD1 3.73Å; V321-L341 HydrophobicContact CG2-CG 4.4Å; V321-P342 PolarHBondContact N-O 3.27Å; V321-Y343 CarbonylContact O-C 3.5Å; V321-Y343 VanDerWaalsContact O-CA 3.32Å; V321-Y343 WeakPolarHBondContact O-CA 3.49Å; V321-V344 PolarHBondContact O-N 2.94Å; V321-V386 CarbonylContact C-O 3.5Å; V321-V386 WeakPolarHBondContact CA-O 3.17Å; V321-V386 HydrophobicContact CG2-CB 4.13Å; V321-V386 HydrophobicContact CG2-CG2 4.46Å; V321-V388 HydrophobicContact CG1-CG2 3.95Å
322S97.9Very high95.5Very high1 Ų131.5 Ų31.51%0.00718%0.176CC..EExtended strand (participates in β ladder)trans-140.3173.3171.6-172.40000109.8V344 V346 V386 L387 V388S322-V344 WeakPolarHBondContact CB-O 3.35Å; S322-V344 PolarHBondContact OG-O 2.82Å; S322-V344 VanDerWaalsContact OG-O 3.14Å; S322-V346 WeakPolarHBondContact OG-CG2 3.15Å; S322-V346 PolarHBondContact OG-N 2.9Å; S322-V386 PolarHBondContact N-O 3.18Å; S322-L387 WeakPolarHBondContact O-CA 3.25Å; S322-V388 PolarHBondContact O-N 2.83Å
323T95.8Very high95.5Very high1 Ų129.9 Ų29.91%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-117.5160.2175.7-166.20000111.6P325 A328 T329 Y343 V388T323-P325 HydrophobicContact CG2-CG 4.24Å; T323-P325 WeakPolarHBondContact O-CD 3.43Å; T323-A328 VanDerWaalsContact OG1-CB 3.22Å; T323-A328 WeakPolarHBondContact OG1-CB 2.9Å; T323-A328 PolarHBondContact OG1-O 3.01Å; T323-T329 HydrophobicContact CG2-CG2 4.47Å; T323-T329 PolarHBondContact OG1-N 3.23Å; T323-Y343 HydrophobicContact CG2-CE2 4.36Å; T323-Y343 VanDerWaalsContact CG2-OH 3.29Å; T323-Y343 WeakPolarHBondContact CG2-OH 3.47Å; T323-V388 CarbonylContact C-O 3.52Å; T323-V388 VanDerWaalsContact CA-O 3.29Å; T323-V388 WeakPolarHBondContact CA-O 3.46Å; T323-V388 PolarHBondContact OG1-O 2.79Å
324V90.2Very high95.5Very high10 Ų1026.6 Ų26.66%0.06115%0.152CC..SBendtrans-77.1117.3150.1-176.80000107.4F373 L387 V388 D389 I398 I401V324-F373 HydrophobicContact CG1-CZ 4.16Å; V324-L387 HydrophobicContact CG2-CD1 4.39Å; V324-L387 HydrophobicContact CG2-CD2 3.93Å; V324-L387 HydrophobicContact CG2-CG 4.08Å; V324-V388 PolarHBondContact N-O 3.37Å; V324-D389 HydrophobicContact CG2-CB 4.25Å; V324-I398 HydrophobicContact CG2-CD1 3.76Å; V324-I401 HydrophobicContact CG1-CD1 4.06Å; V324-I401 HydrophobicContact CG2-CD1 4.28Å
325P87.6Confident95.6Very high25 Ų2526.2 Ų26.216%0.16215%0.149CC..THydrogen-bonded Turntrans-72.9142.4-176.1-21.134000112.7T323 L347 K349T323-P325 HydrophobicContact CG2-CG 4.24Å; T323-P325 WeakPolarHBondContact O-CD 3.43Å; P325-L347 HydrophobicContact CG-CB 4.39Å; P325-K349 HydrophobicContact CB-CB 4.32Å
326E83.9Confident95.6Very high92 Ų9222.5 Ų22.543%0.4313%0.125SC..THydrogen-bonded Turncis-122.2-20.512.2-66.9175.9175.700113.4A328 T329 K349 R351E326-A328 PolarHBondContact O-N 2.89Å; E326-T329 WeakPolarHBondContact O-CB 3.07Å; E326-T329 PolarHBondContact O-N 2.96Å; E326-T329 PolarHBondContact O-OG1 2.85Å; E326-K349 HydrophobicContact CG-CD 4.15Å; E326-R351 IonicContact OE1-NE 3.63Å; E326-R351 IonicContact OE1-NH2 3.09Å
327S87.3Confident95.6Very high23 Ų2323.4 Ų23.416%0.16114%0.142CC..THydrogen-bonded Turntrans-58.7-40.8-17437.10000114.1R303 P330 D390R303-S327 PolarHBondContact NH1-O 2.86Å; S327-P330 WeakPolarHBondContact O-CD 3.33Å; S327-D390 PolarHBondContact OG-OD1 3.23Å
328A93.5Very high95.7Very high2 Ų223.7 Ų23.72%0.01714%0.138CC..THydrogen-bonded Turntrans-84.8-4.3-175.100000114.4T323 E326 P330 A331 A332 D390T323-A328 VanDerWaalsContact OG1-CB 3.22Å; T323-A328 WeakPolarHBondContact OG1-CB 2.9Å; T323-A328 PolarHBondContact OG1-O 3.01Å; E326-A328 PolarHBondContact O-N 2.89Å; A328-P330 VanDerWaalsContact C-CD 3.45Å; A328-A331 WeakPolarHBondContact O-CB 3.16Å; A328-A331 PolarHBondContact O-N 3.21Å; A328-A332 PolarHBondContact O-N 3.01Å; A328-D390 HydrophobicContact CB-CB 4.18Å
329T95.8Very high95.7Very high38 Ų3825.5 Ų25.523%0.23315%0.15CC..Hα-helixtrans-52.4-45.9-179.2-47.80000113.7T323 E326 A331 A332 L333T323-T329 HydrophobicContact CG2-CG2 4.47Å; T323-T329 PolarHBondContact OG1-N 3.23Å; E326-T329 WeakPolarHBondContact O-CB 3.07Å; E326-T329 PolarHBondContact O-N 2.96Å; E326-T329 PolarHBondContact O-OG1 2.85Å; T329-A331 VanDerWaalsContact C-N 3.32Å; T329-A331 PolarHBondContact O-N 2.75Å; T329-A332 PolarHBondContact O-N 3.11Å; T329-L333 HydrophobicContact CG2-CD1 4.12Å; T329-L333 HydrophobicContact CG2-CG 4.45Å; T329-L333 WeakPolarHBondContact O-CG 3.44Å; T329-L333 PolarHBondContact O-N 3.35Å
330P97.4Very high95.6Very high3 Ų325.9 Ų25.92%0.01917%0.168CC..Hα-helixtrans-62.8-39.8178.8-18.231.6000112.2Y300 R303 Y304 S327 A328 A334Y300-P330 HydrophobicContact CD2-CB 3.93Å; Y300-P330 HydrophobicContact CD2-CG 3.55Å; Y300-P330 HydrophobicContact CE1-CB 4.39Å; Y300-P330 HydrophobicContact CE2-CB 3.77Å; Y300-P330 HydrophobicContact CE2-CG 3.57Å; Y300-P330 HydrophobicContact CG-CB 4.32Å; Y300-P330 HydrophobicContact CG-CG 4.28Å; R303-P330 HydrophobicContact CB-CB 3.89Å; R303-P330 HydrophobicContact CB-CG 4.21Å; Y304-P330 WeakPolarHBondContact CD2-O 3.3Å; S327-P330 WeakPolarHBondContact O-CD 3.33Å; A328-P330 VanDerWaalsContact C-CD 3.45Å; P330-A334 WeakPolarHBondContact O-CB 3.42Å; P330-A334 PolarHBondContact O-N 3.07Å; P330-A334 VanDerWaalsContact O-N 3.1Å
331A98.1Very high95.6Very high2 Ų227.5 Ų27.52%0.01718%0.176CC..Hα-helixtrans-67.6-39.3177.800000111.5R303 G307 A328 T329 A334 Y335 V388 A418R303-A331 WeakPolarHBondContact O-CA 3.25Å; R303-A331 WeakPolarHBondContact O-CB 3.48Å; G307-A331 WeakPolarHBondContact CA-O 3.41Å; A328-A331 WeakPolarHBondContact O-CB 3.16Å; A328-A331 PolarHBondContact O-N 3.21Å; T329-A331 VanDerWaalsContact C-N 3.32Å; T329-A331 PolarHBondContact O-N 2.75Å; A331-A334 PolarHBondContact O-N 2.97Å; A331-Y335 VanDerWaalsContact O-CB 3.31Å; A331-Y335 WeakPolarHBondContact O-CB 3.43Å; A331-Y335 PolarHBondContact O-N 2.74Å; A331-V388 HydrophobicContact CB-CG1 4.19Å; A331-A418 HydrophobicContact CB-CB 3.72Å
332A98.3Very high95.6Very high0 Ų030.9 Ų30.90%020%0.198CC..Hα-helixtrans-64.5-44.6176.400000112.7V321 A328 T329 A334 Y335 A336 Y343 V388V321-A332 HydrophobicContact CG1-CB 4.39Å; A328-A332 PolarHBondContact O-N 3.01Å; T329-A332 PolarHBondContact O-N 3.11Å; A332-A334 VanDerWaalsContact C-N 3.32Å; A332-A334 PolarHBondContact O-N 2.64Å; A332-Y335 PolarHBondContact O-N 3.29Å; A332-A336 VanDerWaalsContact O-CB 3.28Å; A332-A336 WeakPolarHBondContact O-CB 3.41Å; A332-A336 PolarHBondContact O-N 3.16Å; A332-Y343 HydrophobicContact CB-CD2 4.13Å; A332-Y343 HydrophobicContact CB-CE2 3.78Å; A332-V388 HydrophobicContact CB-CB 3.84Å; A332-V388 HydrophobicContact CB-CG1 4.4Å; A332-V388 HydrophobicContact CB-CG2 4.06Å
333L98.3Very high95.6Very high58 Ų5833.8 Ų33.830%0.30421%0.21SC..Hα-helixtrans-60.3-43.5176-72.9168.8000111.5Y304 T329 G337 Y343Y304-L333 HydrophobicContact CE2-CB 4.36Å; T329-L333 HydrophobicContact CG2-CD1 4.12Å; T329-L333 HydrophobicContact CG2-CG 4.45Å; T329-L333 WeakPolarHBondContact O-CG 3.44Å; T329-L333 PolarHBondContact O-N 3.35Å; L333-G337 PolarHBondContact O-N 2.84Å; L333-Y343 HydrophobicContact CD2-CD1 3.74Å; L333-Y343 HydrophobicContact CD2-CD2 4.02Å; L333-Y343 HydrophobicContact CD2-CE1 4.24Å; L333-Y343 HydrophobicContact CD2-CE2 4.48Å; L333-Y343 HydrophobicContact CD2-CG 3.62Å; L333-Y343 HydrophobicContact CG-CD2 4.42Å; L333-Y343 HydrophobicContact CG-CG 4.49Å
334A98.3Very high95.7Very high1 Ų135.4 Ų35.41%0.00822%0.219CC..Hα-helixtrans-65.2-45.8176.600000113.1Y304 Q308 P330 A331 A332 A336 G337 K338Y304-A334 HydrophobicContact CD1-CB 3.86Å; Y304-A334 HydrophobicContact CD2-CB 3.68Å; Y304-A334 HydrophobicContact CE1-CB 3.93Å; Y304-A334 HydrophobicContact CE2-CB 3.74Å; Y304-A334 HydrophobicContact CG-CB 3.74Å; Y304-A334 WeakPolarHBondContact O-CB 3.42Å; Q308-A334 HydrophobicContact CG-CB 3.79Å; P330-A334 WeakPolarHBondContact O-CB 3.42Å; P330-A334 PolarHBondContact O-N 3.07Å; P330-A334 VanDerWaalsContact O-N 3.1Å; A331-A334 PolarHBondContact O-N 2.97Å; A332-A334 VanDerWaalsContact C-N 3.32Å; A332-A334 PolarHBondContact O-N 2.64Å; A334-A336 VanDerWaalsContact C-N 3.33Å; A334-A336 PolarHBondContact O-N 3.19Å; A334-G337 PolarHBondContact O-N 2.84Å; A334-K338 VanDerWaalsContact O-CB 3.31Å; A334-K338 WeakPolarHBondContact O-CB 3.18Å; A334-K338 PolarHBondContact O-N 2.85Å
335Y98.8Very high96Very high0 Ų040.7 Ų40.70%024%0.243CC..Hα-helixtrans-59.6-46.7177.2-175.9-76.6000110.5L310 A311 A314 V321 A331 A332 K338 C339 V386 V388 R416L310-Y335 HydrophobicContact CB-CD2 4.19Å; L310-Y335 HydrophobicContact CD2-CD2 4.23Å; L310-Y335 HydrophobicContact CG-CD2 3.93Å; L310-Y335 HydrophobicContact CG-CE2 4.1Å; A311-Y335 VanDerWaalsContact CA-CE2 3.47Å; A311-Y335 HydrophobicContact CB-CD2 3.58Å; A311-Y335 HydrophobicContact CB-CE2 3.91Å; A311-Y335 HydrophobicContact CB-CG 3.95Å; A314-Y335 PolarHBondContact O-OH 3.38Å; V321-Y335 HydrophobicContact CG1-CD1 4.11Å; V321-Y335 HydrophobicContact CG2-CD1 3.89Å; V321-Y335 HydrophobicContact CG2-CE1 4.2Å; A331-Y335 VanDerWaalsContact O-CB 3.31Å; A331-Y335 WeakPolarHBondContact O-CB 3.43Å; A331-Y335 PolarHBondContact O-N 2.74Å; A332-Y335 PolarHBondContact O-N 3.29Å; Y335-K338 PolarHBondContact O-N 2.88Å; Y335-C339 HydrophobicContact CE1-CB 4.46Å; Y335-C339 VanDerWaalsContact CE1-SG 3.59Å; Y335-C339 WeakPolarHBondContact O-CB 3.45Å; Y335-C339 PolarHBondContact O-N 2.71Å; Y335-V386 HydrophobicContact CD1-CG1 4.41Å; Y335-V386 HydrophobicContact CE1-CB 4.36Å; Y335-V386 HydrophobicContact CE1-CG1 3.81Å; Y335-V386 HydrophobicContact CE1-CG2 4.36Å; Y335-V388 HydrophobicContact CG-CG2 4.37Å; Y335-R416 HydrophobicContact CE2-CB 4.36Å; Y335-R416 HydrophobicContact CE2-CG 3.87Å
336A98.5Very high96.4Very high3 Ų339.5 Ų39.53%0.02524%0.236CC..Hα-helixtrans-57.4-51.7176.600000112V321 A332 A334 K338 C339 G340 L341V321-A336 HydrophobicContact CB-CB 3.75Å; V321-A336 HydrophobicContact CG1-CB 4.08Å; V321-A336 HydrophobicContact CG2-CB 3.93Å; A332-A336 VanDerWaalsContact O-CB 3.28Å; A332-A336 WeakPolarHBondContact O-CB 3.41Å; A332-A336 PolarHBondContact O-N 3.16Å; A334-A336 VanDerWaalsContact C-N 3.33Å; A334-A336 PolarHBondContact O-N 3.19Å; A336-K338 VanDerWaalsContact C-N 3.32Å; A336-K338 PolarHBondContact O-N 2.88Å; A336-C339 PolarHBondContact O-N 2.9Å; A336-G340 PolarHBondContact O-N 3.5Å; A336-L341 CarbonylContact C-O 3.57Å; A336-L341 WeakPolarHBondContact CB-O 3.26Å; A336-L341 PolarHBondContact O-N 3.03Å
337G98.3Very high96.8Very high56 Ų5635.4 Ų35.458%0.57722%0.217SC*.Hα-helixtrans-61.4-38.8178.400000113L333 A334 G340L333-G337 PolarHBondContact O-N 2.84Å; A334-G337 PolarHBondContact O-N 2.84Å; G337-G340 PolarHBondContact O-N 2.86Å
338K98.3Very high97Very high116 Ų11637.8 Ų37.850%0.50423%0.232SC..Hα-helixtrans-71.7-35.5179.5-17264.6173.6-172.60112.7A311 I312 A334 Y335 A336A311-K338 HydrophobicContact CB-CB 3.63Å; A311-K338 HydrophobicContact CB-CG 3.64Å; I312-K338 HydrophobicContact CG1-CG 4.5Å; A334-K338 VanDerWaalsContact O-CB 3.31Å; A334-K338 WeakPolarHBondContact O-CB 3.18Å; A334-K338 PolarHBondContact O-N 2.85Å; Y335-K338 PolarHBondContact O-N 2.88Å; A336-K338 VanDerWaalsContact C-N 3.32Å; A336-K338 PolarHBondContact O-N 2.88Å
339C97.8Very high96.6Very high44 Ų4441.8 Ų41.830%0.29725%0.25SC..Hα-helixtrans-84-8.3175.8-68.40000113.8Y335 A336 L341Y335-C339 HydrophobicContact CE1-CB 4.46Å; Y335-C339 VanDerWaalsContact CE1-SG 3.59Å; Y335-C339 WeakPolarHBondContact O-CB 3.45Å; Y335-C339 PolarHBondContact O-N 2.71Å; A336-C339 PolarHBondContact O-N 2.9Å; C339-L341 VanDerWaalsContact C-N 3.28Å; C339-L341 HydrophobicContact CB-CD1 4.04Å; C339-L341 HydrophobicContact CB-CG 4.01Å; C339-L341 PolarHBondContact O-N 3.07Å
340G97.6Very high96Very high67 Ų6743.3 Ų43.369%0.69126%0.256SS*.THydrogen-bonded Turntrans69.724.7-174.300000113.7A336 G337A336-G340 PolarHBondContact O-N 3.5Å; G337-G340 PolarHBondContact O-N 2.86Å
341L98.1Very high95.1Very high35 Ų3552.7 Ų52.718%0.18329%0.291CS..PPolyproline II helixtrans-100.2148.3179.4-65.6176.1000110.7A318 V321 A336 C339A318-L341 HydrophobicContact CB-CD1 4.38Å; A318-L341 VanDerWaalsContact O-CD2 3.23Å; A318-L341 WeakPolarHBondContact O-CD2 3.25Å; V321-L341 HydrophobicContact CG2-CB 3.75Å; V321-L341 HydrophobicContact CG2-CD1 3.73Å; V321-L341 HydrophobicContact CG2-CG 4.4Å; A336-L341 CarbonylContact C-O 3.57Å; A336-L341 WeakPolarHBondContact CB-O 3.26Å; A336-L341 PolarHBondContact O-N 3.03Å; C339-L341 VanDerWaalsContact C-N 3.28Å; C339-L341 HydrophobicContact CB-CD1 4.04Å; C339-L341 HydrophobicContact CB-CG 4.01Å; C339-L341 PolarHBondContact O-N 3.07Å
342P98.1Very high93.7Very high71 Ų7162.9 Ų62.946%0.46133%0.331SS..PPolyproline II helixtrans-70.8135.5174.329.5-33.6000110.8D319 L320 V321 V344D319-P342 WeakPolarHBondContact O-CG 3.11Å; L320-P342 HydrophobicContact CB-CG 4.25Å; V321-P342 PolarHBondContact N-O 3.27Å; P342-V344 HydrophobicContact CB-CG2 4.22Å
343Y98.3Very high92.2Very high63 Ų6365.3 Ų65.325%0.24735%0.345CS..BIsolated β-bridgetrans-80.5125.5164.8177.6-92.1000109.4V321 T323 A332 L333 E345V321-Y343 CarbonylContact O-C 3.5Å; V321-Y343 VanDerWaalsContact O-CA 3.32Å; V321-Y343 WeakPolarHBondContact O-CA 3.49Å; T323-Y343 HydrophobicContact CG2-CE2 4.36Å; T323-Y343 VanDerWaalsContact CG2-OH 3.29Å; T323-Y343 WeakPolarHBondContact CG2-OH 3.47Å; A332-Y343 HydrophobicContact CB-CD2 4.13Å; A332-Y343 HydrophobicContact CB-CE2 3.78Å; L333-Y343 HydrophobicContact CD2-CD1 3.74Å; L333-Y343 HydrophobicContact CD2-CD2 4.02Å; L333-Y343 HydrophobicContact CD2-CE1 4.24Å; L333-Y343 HydrophobicContact CD2-CE2 4.48Å; L333-Y343 HydrophobicContact CD2-CG 3.62Å; L333-Y343 HydrophobicContact CG-CD2 4.42Å; L333-Y343 HydrophobicContact CG-CG 4.49Å; Y343-E345 HydrophobicContact CE1-CG 4.08Å
344V97.7Very high90.3Very high35 Ų3565.1 Ų65.121%0.21236%0.357CS..  trans-137.4129.9-178.4-175.50000108.9L320 V321 S322 P342 V346 N379L320-V344 HydrophobicContact CB-CB 4.38Å; L320-V344 HydrophobicContact CB-CG2 4.07Å; L320-V344 HydrophobicContact CD1-CB 4.39Å; L320-V344 HydrophobicContact CD2-CB 4.25Å; L320-V344 HydrophobicContact CD2-CG2 4.38Å; V321-V344 PolarHBondContact O-N 2.94Å; S322-V344 WeakPolarHBondContact CB-O 3.35Å; S322-V344 PolarHBondContact OG-O 2.82Å; S322-V344 VanDerWaalsContact OG-O 3.14Å; P342-V344 HydrophobicContact CB-CG2 4.22Å; V344-V346 PolarHBondContact O-N 2.73Å; V344-N379 HydrophobicContact CG1-CB 3.68Å
345E96.2Very high88.2Confident120 Ų12069 Ų6956%0.56137%0.372SS*.  trans-69.4122.9176.4-62.7-175.8141.900110.7Y343 L376 N379Y343-E345 HydrophobicContact CE1-CG 4.08Å; E345-L376 HydrophobicContact CB-CD1 4.03Å; E345-N379 PolarHBondContact O-ND2 2.86Å
346V96.1Very high85.6Confident0 Ų071.8 Ų71.80%039%0.389CS..  trans-110-14.1175.8-54.40000113.1L320 S322 V344 L376 F380 I385 L387 L405L320-V346 HydrophobicContact CD1-CG1 3.91Å; S322-V346 WeakPolarHBondContact OG-CG2 3.15Å; S322-V346 PolarHBondContact OG-N 2.9Å; V344-V346 PolarHBondContact O-N 2.73Å; V346-L376 PolarHBondContact O-N 3.44Å; V346-F380 HydrophobicContact CB-CD1 3.62Å; V346-F380 HydrophobicContact CB-CE1 3.85Å; V346-F380 HydrophobicContact CB-CG 4.45Å; V346-F380 HydrophobicContact CG1-CB 4.07Å; V346-F380 HydrophobicContact CG1-CD1 3.63Å; V346-F380 HydrophobicContact CG1-CE1 4.37Å; V346-F380 HydrophobicContact CG1-CG 4.11Å; V346-I385 HydrophobicContact CG1-CD1 4.46Å; V346-L387 HydrophobicContact CG2-CD1 4.21Å; V346-L405 HydrophobicContact CB-CD2 4.2Å; V346-L405 HydrophobicContact CG2-CD1 4.32Å; V346-L405 HydrophobicContact CG2-CD2 3.92Å
347L93.1Very high82.6Confident7 Ų780.7 Ų80.74%0.03743%0.428CS..EExtended strand (participates in β ladder)trans-129.9136.5-178.7-61.8169.9000109.9P325 F373 G374 L387 I401 L405P325-L347 HydrophobicContact CG-CB 4.39Å; L347-F373 HydrophobicContact CB-CD1 4.43Å; L347-F373 HydrophobicContact CD2-CB 4.22Å; L347-G374 CarbonylContact C-O 3.6Å; L347-G374 WeakPolarHBondContact CA-O 3.34Å; L347-L387 HydrophobicContact CD1-CD1 4.44Å; L347-I401 HydrophobicContact CD1-CG2 3.72Å; L347-I401 HydrophobicContact CD2-CG2 4.41Å; L347-L405 HydrophobicContact CD2-CD2 4.08Å
348C90.1Very high79.7Confident72 Ų7285.3 Ų85.349%0.48644%0.437SS..EExtended strand (participates in β ladder)trans-110.2117.6169.3-179.80000109F373 G374 L376C348-F373 CarbonylContact O-C 3.57Å; C348-F373 WeakPolarHBondContact O-CA 3.38Å; C348-G374 PolarHBondContact N-O 3.25Å; C348-G374 PolarHBondContact O-N 3.35Å; C348-L376 HydrophobicContact CB-CD2 4.4Å; C348-L376 HydrophobicContact CB-CG 4.49Å
349K86.2Confident77.1Confident87 Ų8782.1 Ų82.138%0.37842%0.424SS..EExtended strand (participates in β ladder)trans-76.6128.4178.9-175.4179.3178.4-1780110.4P325 E326 R351 F373P325-K349 HydrophobicContact CB-CB 4.32Å; E326-K349 HydrophobicContact CG-CD 4.15Å; K349-R351 PolarHBondContact O-N 3.19Å; K349-R351 VanDerWaalsContact O-N 3.15Å; K349-F373 HydrophobicContact CB-CD1 4.17Å; K349-F373 HydrophobicContact CB-CE1 4.11Å; K349-F373 HydrophobicContact CG-CD1 4.45Å; K349-F373 HydrophobicContact CG-CE1 4.07Å
350N82.1Confident74.3Confident69 Ų6985.4 Ų85.437%0.36945%0.445SS..  trans-76.7102.7174.1-170.4-18000110.4Y352 V353 K372N350-Y352 PolarHBondContact O-N 3.14Å; N350-Y352 PolarHBondContact OD1-N 2.99Å; N350-Y352 VanDerWaalsContact OD1-N 3.09Å; N350-V353 HydrophobicContact CB-CG2 3.88Å; N350-V353 VanDerWaalsContact CG-CG2 3.47Å; N350-V353 WeakPolarHBondContact ND2-CG2 3.34Å; N350-V353 PolarHBondContact O-N 3.31Å; N350-K372 PolarHBondContact N-O 3.16Å
351R78Confident72.3Confident200 Ų20085.8 Ų85.876%0.75543%0.431SS*.THydrogen-bonded Turntrans-71.3-13.1-177.2-63.3180178.21612.6114.2E326 K349E326-R351 IonicContact OE1-NE 3.63Å; E326-R351 IonicContact OE1-NH2 3.09Å; K349-R351 PolarHBondContact O-N 3.19Å; K349-R351 VanDerWaalsContact O-N 3.15Å
352Y69.3Low69.9Low217 Ų21790.4 Ų90.485%0.85145%0.453SS*.THydrogen-bonded Turntrans-95.8-5.4-178.3-55.5-77.2000113.1N350 G354N350-Y352 PolarHBondContact O-N 3.14Å; N350-Y352 PolarHBondContact OD1-N 2.99Å; N350-Y352 VanDerWaalsContact OD1-N 3.09Å; Y352-G354 PolarHBondContact O-N 3.11Å
353V66.8Low67.9Low50 Ų5095.8 Ų95.830%0.30347%0.465SS..  trans-83.695.4174179.50000107.8N350 K372N350-V353 HydrophobicContact CB-CG2 3.88Å; N350-V353 VanDerWaalsContact CG-CG2 3.47Å; N350-V353 WeakPolarHBondContact ND2-CG2 3.34Å; N350-V353 PolarHBondContact O-N 3.31Å; V353-K372 HydrophobicContact CG1-CG 4.31Å
354G58Low66Low54 Ų5495.9 Ų95.956%0.55747%0.469SS*.  trans-66.6-175.5167.400000112.1Y352 T356Y352-G354 PolarHBondContact O-N 3.11Å; G354-T356 PolarHBondContact O-N 3.47Å
355R54.2Low64Low82 Ų8299.3 Ų99.331%0.30948%0.478SS..SBendtrans-50.6122.1169.9-67.5-165.9-161.3-167.4-0.2108.2E5 E46 F357E5-R355 IonicContact OE2-NE 3.94Å; E46-R355 VanDerWaalsContact CG-NH2 3.33Å; E46-R355 IonicContact OE1-CZ 3.56Å; E46-R355 IonicContact OE1-NH1 2.72Å; E46-R355 PolarHBondContact OE1-NH1 3.02Å; E46-R355 VanDerWaalsContact OE1-NH1 3.11Å; E46-R355 IonicContact OE1-NH2 3.57Å; R355-F357 PolarHBondContact O-N 3.35Å
356T45Very low62Low59 Ų59100.4 Ų100.436%0.36248%0.483SS..  trans-60.7102.3176.514.70000108G354 I358 Q359G354-T356 PolarHBondContact O-N 3.47Å; T356-I358 PolarHBondContact O-N 2.86Å; T356-Q359 HydrophobicContact CG2-CG 4.08Å
357F35.6Very low60.1Low191 Ų191104.3 Ų104.384%0.83850%0.504SS*.  trans-45.2132.2168.2-98.6-96.6000109.2R355 Q359R355-F357 PolarHBondContact O-N 3.35Å; F357-Q359 PolarHBondContact O-N 3.09Å
358I37.6Very low58.4Low153 Ų153104.4 Ų104.479%0.78551%0.506SS*.  trans-8.590.4177.1-55.8173.4000111.9T356 P360T356-I358 PolarHBondContact O-N 2.86Å; I358-P360 VanDerWaalsContact O-CD 3.32Å; I358-P360 WeakPolarHBondContact O-CD 3.37Å
359Q43.4Very low56.7Low49 Ų49101.9 Ų101.923%0.22949%0.489CS..  trans-76.4116.6177.6-65.6-98.4-49.700107.2T356 F357 N361 L364 R365T356-Q359 HydrophobicContact CG2-CG 4.08Å; F357-Q359 PolarHBondContact O-N 3.09Å; Q359-N361 PolarHBondContact O-N 3.32Å; Q359-N361 VanDerWaalsContact O-N 3.16Å; Q359-L364 PolarHBondContact OE1-O 3.21Å; Q359-R365 HydrophobicContact CB-CG 3.59Å; Q359-R365 HydrophobicContact CG-CG 4.37Å; Q359-R365 PolarHBondContact O-NE 3.25Å
360P39.8Very low55.2Low113 Ų113100.7 Ų100.773%0.73450%0.495SS*.SBendtrans-72.4-8.2-164.925.9-33.8000114.5I358 L364I358-P360 VanDerWaalsContact O-CD 3.32Å; I358-P360 WeakPolarHBondContact O-CD 3.37Å; P360-L364 HydrophobicContact CG-CD1 4.25Å
361N54.4Low54.1Low74 Ų74104.3 Ų104.340%0.39651%0.507SS..SBendtrans-146.7158.2175.870.937.5000113.4Q359 R363 L364 R365Q359-N361 PolarHBondContact O-N 3.32Å; Q359-N361 VanDerWaalsContact O-N 3.16Å; N361-R363 VanDerWaalsContact C-N 3.27Å; N361-R363 PolarHBondContact O-N 2.91Å; N361-R363 PolarHBondContact OD1-N 2.94Å; N361-L364 PolarHBondContact O-N 3.12Å; N361-L364 WeakPolarHBondContact OD1-CB 3.4Å; N361-L364 VanDerWaalsContact OD1-CG 3.29Å; N361-L364 WeakPolarHBondContact OD1-CG 3.47Å; N361-L364 PolarHBondContact OD1-N 3.1Å; N361-R365 PolarHBondContact O-N 2.96Å
362M47.7Very low53.8Low132 Ų13298 Ų9865%0.6549%0.485SS*.Hα-helixtrans-56.1-35.4178.8-77.6-96.8-67.800113.6R365 Q366M362-R365 PolarHBondContact O-N 3.34Å; M362-Q366 PolarHBondContact O-N 3.47Å
363R56.9Low54.5Low185 Ų18588.6 Ų88.670%0.69845%0.449SS*.Hα-helixtrans-64.4-48-179.4178.9-177.1172.299.9-0.7111.7N361 R365 Q366 L367N361-R363 VanDerWaalsContact C-N 3.27Å; N361-R363 PolarHBondContact O-N 2.91Å; N361-R363 PolarHBondContact OD1-N 2.94Å; R363-R365 VanDerWaalsContact C-N 3.3Å; R363-R365 PolarHBondContact O-N 2.86Å; R363-Q366 PolarHBondContact O-N 3.37Å; R363-L367 HydrophobicContact CG-CD1 4.23Å; R363-L367 WeakPolarHBondContact O-CG 3.48Å; R363-L367 PolarHBondContact O-N 3.47Å
364L57.3Low55.4Low65 Ų6588 Ų8834%0.3445%0.453SS..Hα-helixtrans-66.8-33.7178.8-70.1171000111Q359 P360 N361 L367 G368Q359-L364 PolarHBondContact OE1-O 3.21Å; P360-L364 HydrophobicContact CG-CD1 4.25Å; N361-L364 PolarHBondContact O-N 3.12Å; N361-L364 WeakPolarHBondContact OD1-CB 3.4Å; N361-L364 VanDerWaalsContact OD1-CG 3.29Å; N361-L364 WeakPolarHBondContact OD1-CG 3.47Å; N361-L364 PolarHBondContact OD1-N 3.1Å; L364-L367 HydrophobicContact CD2-CD1 4.46Å; L364-L367 PolarHBondContact O-N 3Å; L364-G368 PolarHBondContact O-N 3.4Å
365R55.7Low57Low106 Ų10687.3 Ų87.340%0.444%0.438SS..Hα-helixtrans-63.6-44.9172.2-71.2-178.4-173.1-164-1.3113.2L3 Q359 N361 M362 R363 L367 G368L3-R365 PolarHBondContact O-NH1 3.39Å; Q359-R365 HydrophobicContact CB-CG 3.59Å; Q359-R365 HydrophobicContact CG-CG 4.37Å; Q359-R365 PolarHBondContact O-NE 3.25Å; N361-R365 PolarHBondContact O-N 2.96Å; M362-R365 PolarHBondContact O-N 3.34Å; R363-R365 VanDerWaalsContact C-N 3.3Å; R363-R365 PolarHBondContact O-N 2.86Å; R365-L367 VanDerWaalsContact C-N 3.34Å; R365-G368 PolarHBondContact O-N 3.21Å; R365-G368 VanDerWaalsContact O-N 3.09Å
366Q54Low58.9Low143 Ų14386.3 Ų86.367%0.66844%0.438SS*.Hα-helixtrans-64.8-38.2175.9-73.8179.4-12.300111.9M362 R363 G368M362-Q366 PolarHBondContact O-N 3.47Å; R363-Q366 PolarHBondContact O-N 3.37Å; Q366-G368 PolarHBondContact O-N 3.17Å
367L56.3Low61.3Low82 Ų8285.6 Ų85.643%0.42944%0.436SS..Hα-helixtrans-66.5-24.2172.1-69.4168.3000112.9R363 L364 R365 A370 K371R363-L367 HydrophobicContact CG-CD1 4.23Å; R363-L367 WeakPolarHBondContact O-CG 3.48Å; R363-L367 PolarHBondContact O-N 3.47Å; L364-L367 HydrophobicContact CD2-CD1 4.46Å; L364-L367 PolarHBondContact O-N 3Å; R365-L367 VanDerWaalsContact C-N 3.34Å; L367-A370 PolarHBondContact O-N 3.36Å; L367-K371 PolarHBondContact O-N 2.83Å
368G57.5Low64.2Low9 Ų983.6 Ų83.69%0.09343%0.434CS..Hα-helixtrans-66-33.4-179.300000114.3L364 R365 Q366 K371L364-G368 PolarHBondContact O-N 3.4Å; R365-G368 PolarHBondContact O-N 3.21Å; R365-G368 VanDerWaalsContact O-N 3.09Å; Q366-G368 PolarHBondContact O-N 3.17Å; G368-K371 PolarHBondContact O-N 3.48Å
369V54.6Low67Low20 Ų2079.3 Ų79.312%0.12141%0.412CS..Hα-helixtrans-69.4-41.9175.6-179.40000110.6L6 K371 K372 P400L6-V369 HydrophobicContact CD1-CG2 3.99Å; V369-K371 PolarHBondContact O-N 2.92Å; V369-K372 PolarHBondContact O-N 3.3Å; V369-K372 VanDerWaalsContact O-N 3.11Å; V369-P400 HydrophobicContact CG1-CB 4.07Å; V369-P400 HydrophobicContact CG1-CG 4.29Å
370A54Low69.5Low61 Ų6177 Ų7750%0.50440%0.401SS..Hα-helixtrans-64.3-22.4175.200000113.3L367L367-A370 PolarHBondContact O-N 3.36Å
371K60.2Low72.2Confident145 Ų14579 Ų7963%0.6340%0.399SS*.THydrogen-bonded Turntrans-80.9-17.1174.7-75.7-175.5176.9-173.30114.3L367 G368 V369L367-K371 PolarHBondContact O-N 2.83Å; G368-K371 PolarHBondContact O-N 3.48Å; V369-K371 PolarHBondContact O-N 2.92Å
372K72.4Confident74.3Confident67 Ų6777.8 Ų77.829%0.29140%0.404SS..THydrogen-bonded Turntrans-77.8-27-177.1-73.9-174.8178.3-171.70112.9N350 V353 V369N350-K372 PolarHBondContact N-O 3.16Å; V353-K372 HydrophobicContact CG1-CG 4.31Å; V369-K372 PolarHBondContact O-N 3.3Å; V369-K372 VanDerWaalsContact O-N 3.11Å
373F82.4Confident76.7Confident21 Ų2175.5 Ų75.59%0.09239%0.391CS..EExtended strand (participates in β ladder)trans-129.9127.4-177.2-57.3-79000111.1V324 L347 C348 K349 I401V324-F373 HydrophobicContact CG1-CZ 4.16Å; L347-F373 HydrophobicContact CB-CD1 4.43Å; L347-F373 HydrophobicContact CD2-CB 4.22Å; C348-F373 CarbonylContact O-C 3.57Å; C348-F373 WeakPolarHBondContact O-CA 3.38Å; K349-F373 HydrophobicContact CB-CD1 4.17Å; K349-F373 HydrophobicContact CB-CE1 4.11Å; K349-F373 HydrophobicContact CG-CD1 4.45Å; K349-F373 HydrophobicContact CG-CE1 4.07Å; F373-I401 HydrophobicContact CD2-CD1 4.16Å; F373-I401 HydrophobicContact CD2-CG1 4.39Å; F373-I401 HydrophobicContact CE2-CD1 3.95Å
374G86.5Confident78.7Confident38 Ų3868.8 Ų68.839%0.39237%0.365SS..EExtended strand (participates in β ladder)trans-87.5142.9164.200000110.3L347 C348L347-G374 CarbonylContact C-O 3.6Å; L347-G374 WeakPolarHBondContact CA-O 3.34Å; C348-G374 PolarHBondContact N-O 3.25Å; C348-G374 PolarHBondContact O-N 3.35Å
375V91.7Very high80.6Confident39 Ų3965.7 Ų65.724%0.23635%0.349CS..EExtended strand (participates in β ladder)trans-93.8136.3179.7-174.10000110.3F380 L404 L405V375-F380 HydrophobicContact CG1-CE1 3.5Å; V375-F380 VanDerWaalsContact CG1-CE1 3.5Å; V375-F380 HydrophobicContact CG1-CZ 3.32Å; V375-L404 HydrophobicContact CG2-CD1 3.66Å; V375-L404 HydrophobicContact CG2-CD2 3.4Å; V375-L404 HydrophobicContact CG2-CG 3.3Å; V375-L405 HydrophobicContact CG1-CD2 4.3Å
376L94.8Very high82.7Confident60 Ų6060.6 Ų60.631%0.31433%0.33SS..  trans-101.965.8175.8-57.6176.2000110.2E345 V346 C348 D378 N379 F380E345-L376 HydrophobicContact CB-CD1 4.03Å; V346-L376 PolarHBondContact O-N 3.44Å; C348-L376 HydrophobicContact CB-CD2 4.4Å; C348-L376 HydrophobicContact CB-CG 4.49Å; L376-D378 VanDerWaalsContact C-N 3.25Å; L376-D378 PolarHBondContact O-N 2.94Å; L376-D378 VanDerWaalsContact O-N 3.17Å; L376-N379 WeakPolarHBondContact O-CB 3.29Å; L376-N379 PolarHBondContact O-N 3.32Å; L376-N379 VanDerWaalsContact O-N 3.08Å; L376-F380 VanDerWaalsContact O-CD1 3.25Å; L376-F380 WeakPolarHBondContact O-CD1 3.37Å; L376-F380 WeakPolarHBondContact O-CE1 3.32Å
377S94.1Very high84.8Confident44 Ų4453.8 Ų53.831%0.30830%0.298SS..G310 helixtrans-57.2-33.8-16953.60000114.5N379 F380 K381S377-N379 PolarHBondContact O-N 3.39Å; S377-N379 VanDerWaalsContact O-N 3.12Å; S377-F380 PolarHBondContact O-N 3.24Å; S377-F380 VanDerWaalsContact O-N 3.11Å; S377-K381 PolarHBondContact O-N 2.95Å
378D96.2Very high86.8Confident150 Ų15049.9 Ų49.980%0.80228%0.278SS*.G310 helixtrans-59.7-25.5-179.7-66.9-14.3000112.4L376L376-D378 VanDerWaalsContact C-N 3.25Å; L376-D378 PolarHBondContact O-N 2.94Å; L376-D378 VanDerWaalsContact O-N 3.17Å
379N96.6Very high88.6Confident62 Ų6250.1 Ų50.133%0.33228%0.277SS..G310 helixtrans-75.3-27.8-179.2-69.5-6.6000113V344 E345 L376 S377 K383V344-N379 HydrophobicContact CG1-CB 3.68Å; E345-N379 PolarHBondContact O-ND2 2.86Å; L376-N379 WeakPolarHBondContact O-CB 3.29Å; L376-N379 PolarHBondContact O-N 3.32Å; L376-N379 VanDerWaalsContact O-N 3.08Å; S377-N379 PolarHBondContact O-N 3.39Å; S377-N379 VanDerWaalsContact O-N 3.12Å; N379-K383 PolarHBondContact O-NZ 3.47Å
380F96.3Very high90.5Very high0 Ų049.7 Ų49.70%027%0.274CS..THydrogen-bonded Turntrans-135.50.4-165.569.8-99.7000116.5L320 V346 V375 L376 S377 G382 K383 I385 L405 A410L320-F380 HydrophobicContact CD2-CB 3.9Å; V346-F380 HydrophobicContact CB-CD1 3.62Å; V346-F380 HydrophobicContact CB-CE1 3.85Å; V346-F380 HydrophobicContact CB-CG 4.45Å; V346-F380 HydrophobicContact CG1-CB 4.07Å; V346-F380 HydrophobicContact CG1-CD1 3.63Å; V346-F380 HydrophobicContact CG1-CE1 4.37Å; V346-F380 HydrophobicContact CG1-CG 4.11Å; V375-F380 HydrophobicContact CG1-CE1 3.5Å; V375-F380 VanDerWaalsContact CG1-CE1 3.5Å; V375-F380 HydrophobicContact CG1-CZ 3.32Å; L376-F380 VanDerWaalsContact O-CD1 3.25Å; L376-F380 WeakPolarHBondContact O-CD1 3.37Å; L376-F380 WeakPolarHBondContact O-CE1 3.32Å; S377-F380 PolarHBondContact O-N 3.24Å; S377-F380 VanDerWaalsContact O-N 3.11Å; F380-G382 PolarHBondContact O-N 3.11Å; F380-K383 VanDerWaalsContact O-CB 3.26Å; F380-K383 WeakPolarHBondContact O-CB 3.18Å; F380-K383 PolarHBondContact O-N 2.99Å; F380-I385 HydrophobicContact CB-CD1 3.74Å; F380-I385 HydrophobicContact CB-CG1 4.21Å; F380-I385 HydrophobicContact CD1-CD1 4.44Å; F380-I385 HydrophobicContact CD2-CD1 3.45Å; F380-I385 VanDerWaalsContact CD2-CD1 3.45Å; F380-I385 HydrophobicContact CE2-CD1 4.1Å; F380-I385 HydrophobicContact CG-CD1 3.63Å; F380-L405 HydrophobicContact CE1-CD2 3.88Å; F380-L405 HydrophobicContact CE2-CD2 4.16Å; F380-L405 HydrophobicContact CZ-CD2 3.54Å; F380-A410 HydrophobicContact CD2-CB 3.97Å; F380-A410 HydrophobicContact CE2-CB 3.97Å
381K97.2Very high92.3Very high155 Ų15547.5 Ų47.567%0.67426%0.255SS*.THydrogen-bonded Turntrans-54.2126.7180-168.7173.6-176.3175.70111.8S377 K383S377-K381 PolarHBondContact O-N 2.95Å; K381-K383 VanDerWaalsContact C-N 3.27Å; K381-K383 PolarHBondContact O-N 3.33Å
382G97.4Very high93.8Very high50 Ų5040.9 Ų40.952%0.51523%0.226SC..THydrogen-bonded Turntrans77.51.4-177.300000115.4F380 G409F380-G382 PolarHBondContact O-N 3.11Å; G382-G409 PolarHBondContact N-O 2.89Å
383K98.3Very high94.5Very high84 Ų8438.2 Ų38.237%0.36522%0.216SC..  trans-100.6157.6-175.7-58.8-173.4-171.5165.20113D319 L320 N379 F380 K381 K411D319-K383 HydrophobicContact CB-CB 4.06Å; D319-K383 HydrophobicContact CB-CD 4.43Å; D319-K383 HydrophobicContact CB-CG 4.43Å; D319-K383 VanDerWaalsContact OD2-CA 3.31Å; D319-K383 WeakPolarHBondContact OD2-CA 3.47Å; L320-K383 HydrophobicContact CD2-CB 4.37Å; L320-K383 HydrophobicContact CD2-CD 3.72Å; N379-K383 PolarHBondContact O-NZ 3.47Å; F380-K383 VanDerWaalsContact O-CB 3.26Å; F380-K383 WeakPolarHBondContact O-CB 3.18Å; F380-K383 PolarHBondContact O-N 2.99Å; K381-K383 VanDerWaalsContact C-N 3.27Å; K381-K383 PolarHBondContact O-N 3.33Å; K383-K411 PolarHBondContact O-N 3.24Å
384R98.6Very high94.5Very high43 Ų4339.8 Ų39.816%0.16222%0.221CC..EExtended strand (participates in β ladder)trans-89.7125.5170.7-56.9175.3-67.7166.510109.2D317 A318 D319 L320 K411 E412D317-R384 IonicContact OD1-CZ 3.73Å; D317-R384 IonicContact OD1-NH1 3.39Å; D317-R384 PolarHBondContact OD1-NH1 3.02Å; D317-R384 IonicContact OD1-NH2 2.82Å; D317-R384 PolarHBondContact OD1-NH2 2.57Å; D317-R384 IonicContact OD2-CZ 3.13Å; D317-R384 IonicContact OD2-NH1 3.75Å; D317-R384 PolarHBondContact OD2-NH1 2.84Å; D317-R384 IonicContact OD2-NH2 3.94Å; D317-R384 PolarHBondContact OD2-NH2 2.85Å; A318-R384 HydrophobicContact CB-CB 4.2Å; D319-R384 PolarHBondContact N-O 3Å; D319-R384 IonicContact OD1-CZ 3.53Å; D319-R384 IonicContact OD1-NE 2.73Å; D319-R384 PolarHBondContact OD1-NE 3.14Å; D319-R384 VanDerWaalsContact OD1-NE 3.09Å; D319-R384 IonicContact OD1-NH2 3.45Å; D319-R384 PolarHBondContact OD1-NH2 3.35Å; D319-R384 PolarHBondContact OD2-N 3.11Å; D319-R384 IonicContact OD2-NE 3.54Å; L320-R384 PolarHBondContact N-O 2.82Å; R384-K411 HydrophobicContact CG-CB 4.42Å; R384-K411 HydrophobicContact CG-CD 4.1Å; R384-E412 HydrophobicContact CB-CB 4.13Å; R384-E412 HydrophobicContact CG-CB 3.96Å; R384-E412 HydrophobicContact CG-CG 3.99Å
385I98.5Very high94.2Very high0 Ų038.3 Ų38.30%021%0.205CC..EExtended strand (participates in β ladder)trans-113.9131.3-171.1-56173.9000109.3L320 V346 F380 A410 E412 H414L320-I385 HydrophobicContact CD1-CB 4.23Å; L320-I385 HydrophobicContact CD1-CG1 4.01Å; L320-I385 HydrophobicContact CD1-CG2 3.8Å; L320-I385 HydrophobicContact CG-CG1 4.38Å; V346-I385 HydrophobicContact CG1-CD1 4.46Å; F380-I385 HydrophobicContact CB-CD1 3.74Å; F380-I385 HydrophobicContact CB-CG1 4.21Å; F380-I385 HydrophobicContact CD1-CD1 4.44Å; F380-I385 HydrophobicContact CD2-CD1 3.45Å; F380-I385 VanDerWaalsContact CD2-CD1 3.45Å; F380-I385 HydrophobicContact CE2-CD1 4.1Å; F380-I385 HydrophobicContact CG-CD1 3.63Å; I385-A410 HydrophobicContact CD1-CB 3.62Å; I385-A410 HydrophobicContact CG1-CB 4.39Å; I385-E412 PolarHBondContact N-O 2.85Å; I385-H414 PolarHBondContact O-N 3.5Å
386V98.7Very high93.6Very high0 Ų040 Ų400%021%0.213CC..EExtended strand (participates in β ladder)trans-94115.9158.2-1710000108.3V316 A318 L320 V321 S322 Y335 V388 H414 R416V316-V386 HydrophobicContact CG1-CG2 3.53Å; A318-V386 HydrophobicContact CB-CG2 3.5Å; L320-V386 PolarHBondContact O-N 3.11Å; V321-V386 CarbonylContact C-O 3.5Å; V321-V386 WeakPolarHBondContact CA-O 3.17Å; V321-V386 HydrophobicContact CG2-CB 4.13Å; V321-V386 HydrophobicContact CG2-CG2 4.46Å; S322-V386 PolarHBondContact N-O 3.18Å; Y335-V386 HydrophobicContact CD1-CG1 4.41Å; Y335-V386 HydrophobicContact CE1-CB 4.36Å; Y335-V386 HydrophobicContact CE1-CG1 3.81Å; Y335-V386 HydrophobicContact CE1-CG2 4.36Å; V386-V388 HydrophobicContact CG1-CG2 4.41Å; V386-H414 CarbonylContact C-O 3.59Å; V386-H414 WeakPolarHBondContact CA-O 3.2Å; V386-R416 HydrophobicContact CG1-CB 4.21Å; V386-R416 HydrophobicContact CG1-CG 3.53Å
387L98Very high93Very high0 Ų039.2 Ų39.20%021%0.211CC..EExtended strand (participates in β ladder)trans-102.5115.2175.3-170.270.2000108.9S322 V324 V346 L347 I398 I401 L405 H414 I415 R416S322-L387 WeakPolarHBondContact O-CA 3.25Å; V324-L387 HydrophobicContact CG2-CD1 4.39Å; V324-L387 HydrophobicContact CG2-CD2 3.93Å; V324-L387 HydrophobicContact CG2-CG 4.08Å; V346-L387 HydrophobicContact CG2-CD1 4.21Å; L347-L387 HydrophobicContact CD1-CD1 4.44Å; L387-I398 HydrophobicContact CD2-CD1 3.83Å; L387-I401 HydrophobicContact CD2-CG2 3.76Å; L387-L405 HydrophobicContact CD2-CD1 3.97Å; L387-H414 PolarHBondContact N-O 3.45Å; L387-I415 HydrophobicContact CB-CD1 3.83Å; L387-I415 HydrophobicContact CD2-CD1 4.04Å; L387-I415 HydrophobicContact CG-CD1 4.41Å; L387-I415 WeakPolarHBondContact O-CA 3.16Å; L387-R416 PolarHBondContact O-N 2.99Å
388V98.3Very high92.7Very high0 Ų037.2 Ų37.20%020%0.197CC..EExtended strand (participates in β ladder)trans-92133.7178-1740000109.8L310 V321 S322 T323 V324 A331 A332 Y335 V386 R416L310-V388 HydrophobicContact CD2-CG1 4.34Å; V321-V388 HydrophobicContact CG1-CG2 3.95Å; S322-V388 PolarHBondContact O-N 2.83Å; T323-V388 CarbonylContact C-O 3.52Å; T323-V388 VanDerWaalsContact CA-O 3.29Å; T323-V388 WeakPolarHBondContact CA-O 3.46Å; T323-V388 PolarHBondContact OG1-O 2.79Å; V324-V388 PolarHBondContact N-O 3.37Å; A331-V388 HydrophobicContact CB-CG1 4.19Å; A332-V388 HydrophobicContact CB-CB 3.84Å; A332-V388 HydrophobicContact CB-CG1 4.4Å; A332-V388 HydrophobicContact CB-CG2 4.06Å; Y335-V388 HydrophobicContact CG-CG2 4.37Å; V386-V388 HydrophobicContact CG1-CG2 4.41Å; V388-R416 CarbonylContact C-O 3.54Å; V388-R416 VanDerWaalsContact CA-O 3.24Å; V388-R416 WeakPolarHBondContact CA-O 3.45Å; V388-R416 HydrophobicContact CG2-CB 4.26Å
389D95.8Very high92.4Very high14 Ų1432 Ų328%0.07517%0.172CC..EExtended strand (participates in β ladder)trans-128.1157.8174.7-154.3-4.4000109.6V324 R416 V417 A418V324-D389 HydrophobicContact CG2-CB 4.25Å; D389-R416 PolarHBondContact N-O 3.22Å; D389-V417 CarbonylContact O-C 3.52Å; D389-V417 WeakPolarHBondContact O-CA 3.38Å; D389-A418 PolarHBondContact O-N 2.95Å
390D93.8Very high92Very high10 Ų1031.6 Ų31.65%0.05317%0.172CC..SBendtrans-78.5-44.9-178.556.6-94.1000111.3Y286 S327 A328 S419Y286-D390 WeakPolarHBondContact CD2-OD2 3.42Å; S327-D390 PolarHBondContact OG-OD1 3.23Å; A328-D390 HydrophobicContact CB-CB 4.18Å; D390-S419 VanDerWaalsContact O-CB 3.22Å; D390-S419 WeakPolarHBondContact O-CB 3.28Å; D390-S419 PolarHBondContact O-N 2.92Å; D390-S419 PolarHBondContact O-OG 3.15Å; D390-S419 VanDerWaalsContact O-OG 3.08Å
391S92.6Very high91.8Very high15 Ų1531.7 Ų31.711%0.10517%0.173CC..  trans-156.2152-176.564.50000111.6
392I91.4Very high91.6Very high7 Ų724.3 Ų24.34%0.03614%0.141CC..  trans-123113.7173-57.5177.3000108.7I398 I415 V417 I439 L452 V457 Y459I392-I398 HydrophobicContact CD1-CG2 4.19Å; I392-I398 HydrophobicContact CG2-CG2 4.39Å; I392-I415 HydrophobicContact CD1-CG2 4.16Å; I392-V417 HydrophobicContact CD1-CG2 3.48Å; I392-V417 VanDerWaalsContact CD1-CG2 3.48Å; I392-V417 HydrophobicContact CG1-CG1 4.36Å; I392-V417 HydrophobicContact CG1-CG2 3.84Å; I392-I439 HydrophobicContact CG2-CG2 4.01Å; I392-L452 HydrophobicContact CD1-CD1 4.3Å; I392-V457 HydrophobicContact CD1-CG1 4.47Å; I392-Y459 HydrophobicContact CB-CE1 4.28Å
393V87.6Confident91.4Very high11 Ų1128.1 Ų28.17%0.06714%0.143CC..SBendtrans-92.6-60.5-179.3-168.50000111.9V8 I422 P433 L438 I439V8-V393 HydrophobicContact CB-CG2 4.42Å; V8-V393 HydrophobicContact CG2-CG2 3.28Å; V393-I422 HydrophobicContact CG2-CD1 4.15Å; V393-P433 HydrophobicContact CG1-CG 3.59Å; V393-L438 HydrophobicContact CG1-CD2 3.65Å; V393-I439 WeakPolarHBondContact O-CG2 3.42Å; V393-I439 PolarHBondContact O-N 3.24Å
394R83.3Confident91.1Very high54 Ų5426.2 Ų26.220%0.20414%0.137CC..SBendtrans-118.9-7.4-175.2-58.4-174.5-176156.1-0.6113.6N396 P433 E437R394-N396 PolarHBondContact O-N 2.89Å; R394-P433 HydrophobicContact CG-CG 4.49Å; R394-E437 IonicContact CZ-OE2 2.7Å; R394-E437 IonicContact NE-OE2 3.41Å; R394-E437 PolarHBondContact NE-OE2 2.94Å; R394-E437 IonicContact NH2-OE2 3.49Å; R394-E437 PolarHBondContact NH2-OE2 3.27Å
395G79.6Confident90.9Very high6 Ų624.2 Ų24.26%0.06213%0.129CC..SBendtrans78.1-12.3-177.700000116.2T397 I398 S399G395-T397 VanDerWaalsContact C-N 3.26Å; G395-T397 PolarHBondContact O-N 3.37Å; G395-I398 PolarHBondContact O-N 2.87Å; G395-S399 WeakPolarHBondContact O-CB 3.42Å; G395-S399 PolarHBondContact O-N 3.19Å; G395-S399 VanDerWaalsContact O-N 3.15Å
396N79.5Confident90.7Very high75 Ų7527.9 Ų27.940%0.40115%0.146SC..THydrogen-bonded Turntrans-65.4-20.9-174.4-67.4-19000115.4L6 R394 P400L6-N396 HydrophobicContact CD2-CB 3.27Å; R394-N396 PolarHBondContact O-N 2.89Å; N396-P400 WeakPolarHBondContact O-CD 3.37Å; N396-P400 VanDerWaalsContact O-CG 3.29Å; N396-P400 WeakPolarHBondContact O-CG 3.16Å
397T81.4Confident90.5Very high43 Ų4334.3 Ų34.326%0.26418%0.176SC..THydrogen-bonded Turntrans-89.3-47.2178.5-55.60000111.2L6 G395 P400 I401L6-T397 PolarHBondContact O-OG1 3.39Å; G395-T397 VanDerWaalsContact C-N 3.26Å; G395-T397 PolarHBondContact O-N 3.37Å; T397-P400 WeakPolarHBondContact O-CD 3.21Å; T397-I401 HydrophobicContact CG2-CD1 4.11Å; T397-I401 WeakPolarHBondContact O-CD1 3.28Å; T397-I401 WeakPolarHBondContact O-CG1 3.31Å
398I88.8Confident90.4Very high3 Ų336 Ų362%0.01519%0.187CC..Hα-helixtrans-73.9-35.6-173.7-164.964.2000112.6V324 L387 I392 G395 I401 I402 I415 L452V324-I398 HydrophobicContact CG2-CD1 3.76Å; L387-I398 HydrophobicContact CD2-CD1 3.83Å; I392-I398 HydrophobicContact CD1-CG2 4.19Å; I392-I398 HydrophobicContact CG2-CG2 4.39Å; G395-I398 PolarHBondContact O-N 2.87Å; I398-I401 WeakPolarHBondContact O-CB 3.35Å; I398-I401 PolarHBondContact O-N 2.8Å; I398-I401 VanDerWaalsContact O-N 3.15Å; I398-I402 HydrophobicContact CG1-CD1 3.96Å; I398-I402 HydrophobicContact CG1-CG1 4.33Å; I398-I402 WeakPolarHBondContact O-CD1 3.44Å; I398-I402 VanDerWaalsContact O-CG1 3.31Å; I398-I402 WeakPolarHBondContact O-CG1 3.39Å; I398-I402 PolarHBondContact O-N 3.41Å; I398-I415 HydrophobicContact CD1-CD1 4.17Å; I398-I415 HydrophobicContact CG1-CD1 4.18Å; I398-I415 HydrophobicContact CG1-CG1 4.47Å; I398-L452 HydrophobicContact CG2-CD1 3.84Å; I398-L452 HydrophobicContact CG2-CD2 3.93Å; I398-L452 HydrophobicContact CG2-CG 4.45Å
399S89.3Confident90.2Very high40 Ų4037.3 Ų37.328%0.2820%0.201SC..Hα-helixtrans-61.4-48.2-179.3173.30000113G395 I401 I402 K403G395-S399 WeakPolarHBondContact O-CB 3.42Å; G395-S399 PolarHBondContact O-N 3.19Å; G395-S399 VanDerWaalsContact O-N 3.15Å; S399-I401 VanDerWaalsContact C-N 3.3Å; S399-I401 PolarHBondContact O-N 2.99Å; S399-I402 PolarHBondContact O-N 3Å; S399-K403 PolarHBondContact O-N 3.02Å
400P88.5Confident90.3Very high53 Ų5337.1 Ų37.134%0.34420%0.201SC..Hα-helixtrans-59.3-36.5171.8-26.835.4000114V369 N396 T397 K403 L404V369-P400 HydrophobicContact CG1-CB 4.07Å; V369-P400 HydrophobicContact CG1-CG 4.29Å; N396-P400 WeakPolarHBondContact O-CD 3.37Å; N396-P400 VanDerWaalsContact O-CG 3.29Å; N396-P400 WeakPolarHBondContact O-CG 3.16Å; T397-P400 WeakPolarHBondContact O-CD 3.21Å; P400-K403 PolarHBondContact O-N 2.75Å; P400-L404 WeakPolarHBondContact O-CB 3.42Å; P400-L404 PolarHBondContact O-N 2.95Å
401I90.9Very high90.5Very high3 Ų343.1 Ų43.12%0.01523%0.227CC..Hα-helixtrans-65.5-45.6178.1-67.7170000110.4V324 L347 F373 L387 T397 I398 S399 K403 L404 L405V324-I401 HydrophobicContact CG1-CD1 4.06Å; V324-I401 HydrophobicContact CG2-CD1 4.28Å; L347-I401 HydrophobicContact CD1-CG2 3.72Å; L347-I401 HydrophobicContact CD2-CG2 4.41Å; F373-I401 HydrophobicContact CD2-CD1 4.16Å; F373-I401 HydrophobicContact CD2-CG1 4.39Å; F373-I401 HydrophobicContact CE2-CD1 3.95Å; L387-I401 HydrophobicContact CD2-CG2 3.76Å; T397-I401 HydrophobicContact CG2-CD1 4.11Å; T397-I401 WeakPolarHBondContact O-CD1 3.28Å; T397-I401 WeakPolarHBondContact O-CG1 3.31Å; I398-I401 WeakPolarHBondContact O-CB 3.35Å; I398-I401 PolarHBondContact O-N 2.8Å; I398-I401 VanDerWaalsContact O-N 3.15Å; S399-I401 VanDerWaalsContact C-N 3.3Å; S399-I401 PolarHBondContact O-N 2.99Å; I401-K403 VanDerWaalsContact C-N 3.34Å; I401-K403 PolarHBondContact O-N 2.83Å; I401-L404 PolarHBondContact O-N 3.04Å; I401-L405 HydrophobicContact CG2-CD1 4.18Å; I401-L405 HydrophobicContact CG2-CG 4.48Å; I401-L405 WeakPolarHBondContact O-CG 3.21Å; I401-L405 PolarHBondContact O-N 3.11Å
402I94Very high90.8Very high0 Ų044.9 Ų44.90%023%0.233CC..Hα-helixtrans-58.7-48.7176.9-67.3156000110.5I398 S399 L404 L405 K406 V413 I415 L452 G453 A454I398-I402 HydrophobicContact CG1-CD1 3.96Å; I398-I402 HydrophobicContact CG1-CG1 4.33Å; I398-I402 WeakPolarHBondContact O-CD1 3.44Å; I398-I402 VanDerWaalsContact O-CG1 3.31Å; I398-I402 WeakPolarHBondContact O-CG1 3.39Å; I398-I402 PolarHBondContact O-N 3.41Å; S399-I402 PolarHBondContact O-N 3Å; I402-L404 VanDerWaalsContact C-N 3.32Å; I402-L404 PolarHBondContact O-N 2.82Å; I402-L405 PolarHBondContact O-N 2.9Å; I402-K406 HydrophobicContact CG2-CD 4.32Å; I402-K406 WeakPolarHBondContact O-CG 3.44Å; I402-K406 PolarHBondContact O-N 3.02Å; I402-V413 HydrophobicContact CG1-CG1 4.18Å; I402-V413 HydrophobicContact CG2-CB 4.28Å; I402-V413 HydrophobicContact CG2-CG1 4.23Å; I402-I415 HydrophobicContact CD1-CD1 4Å; I402-I415 HydrophobicContact CD1-CG1 3.91Å; I402-I415 HydrophobicContact CG1-CD1 3.83Å; I402-I415 HydrophobicContact CG1-CG1 4.27Å; I402-L452 HydrophobicContact CD1-CB 3.85Å; I402-G453 VanDerWaalsContact CG2-O 3.22Å; I402-G453 WeakPolarHBondContact CG2-O 3.38Å; I402-A454 HydrophobicContact CD1-CB 3.98Å
403K92.5Very high91.1Very high129 Ų12944.5 Ų44.556%0.56123%0.232SC*.Hα-helixtrans-57.5-47.1178-179.7173.7174.9175.50111.3S399 P400 I401 L405 K406 E407S399-K403 PolarHBondContact O-N 3.02Å; P400-K403 PolarHBondContact O-N 2.75Å; I401-K403 VanDerWaalsContact C-N 3.34Å; I401-K403 PolarHBondContact O-N 2.83Å; K403-L405 PolarHBondContact O-N 2.88Å; K403-K406 PolarHBondContact O-N 2.83Å; K403-E407 WeakPolarHBondContact CE-OE1 3.48Å; K403-E407 HydrophobicContact CG-CG 4.36Å; K403-E407 IonicContact NZ-OE1 3.07Å; K403-E407 WeakPolarHBondContact O-CB 3.43Å; K403-E407 WeakPolarHBondContact O-CG 2.98Å; K403-E407 PolarHBondContact O-N 3.29Å
404L91.6Very high91.7Very high45 Ų4544.5 Ų44.524%0.23623%0.231CC..Hα-helixtrans-61.5-41.5179.717862.7000112.6V375 P400 I401 I402 S408V375-L404 HydrophobicContact CG2-CD1 3.66Å; V375-L404 HydrophobicContact CG2-CD2 3.4Å; V375-L404 HydrophobicContact CG2-CG 3.3Å; P400-L404 WeakPolarHBondContact O-CB 3.42Å; P400-L404 PolarHBondContact O-N 2.95Å; I401-L404 PolarHBondContact O-N 3.04Å; I402-L404 VanDerWaalsContact C-N 3.32Å; I402-L404 PolarHBondContact O-N 2.82Å; L404-S408 VanDerWaalsContact O-CB 3.29Å; L404-S408 WeakPolarHBondContact O-CB 3.38Å; L404-S408 PolarHBondContact O-N 3.47Å; L404-S408 PolarHBondContact O-OG 2.88Å
405L94.6Very high92.4Very high0 Ų042 Ų420%022%0.221CC..Hα-helixtrans-65.5-42.4175.5-68.7175.5000111.9V346 L347 V375 F380 L387 I401 I402 K403 S408 G409 A410 V413V346-L405 HydrophobicContact CB-CD2 4.2Å; V346-L405 HydrophobicContact CG2-CD1 4.32Å; V346-L405 HydrophobicContact CG2-CD2 3.92Å; L347-L405 HydrophobicContact CD2-CD2 4.08Å; V375-L405 HydrophobicContact CG1-CD2 4.3Å; F380-L405 HydrophobicContact CE1-CD2 3.88Å; F380-L405 HydrophobicContact CE2-CD2 4.16Å; F380-L405 HydrophobicContact CZ-CD2 3.54Å; L387-L405 HydrophobicContact CD2-CD1 3.97Å; I401-L405 HydrophobicContact CG2-CD1 4.18Å; I401-L405 HydrophobicContact CG2-CG 4.48Å; I401-L405 WeakPolarHBondContact O-CG 3.21Å; I401-L405 PolarHBondContact O-N 3.11Å; I402-L405 PolarHBondContact O-N 2.9Å; K403-L405 PolarHBondContact O-N 2.88Å; L405-S408 CarbonylContact O-C 3.46Å; L405-S408 PolarHBondContact O-N 3.26Å; L405-G409 PolarHBondContact O-N 3.33Å; L405-A410 HydrophobicContact CB-CB 4.33Å; L405-A410 VanDerWaalsContact O-CB 3.27Å; L405-A410 WeakPolarHBondContact O-CB 3.17Å; L405-A410 PolarHBondContact O-N 3.25Å; L405-V413 HydrophobicContact CB-CG2 4.18Å; L405-V413 HydrophobicContact CD1-CG1 4.43Å
406K95.1Very high93.3Very high78 Ų7842.1 Ų42.134%0.33922%0.22SC..Hα-helixtrans-63.9-46.7176.3-73.3-173.5170-1710112.1I402 K403 S408 G409 V413 G453 N455I402-K406 HydrophobicContact CG2-CD 4.32Å; I402-K406 WeakPolarHBondContact O-CG 3.44Å; I402-K406 PolarHBondContact O-N 3.02Å; K403-K406 PolarHBondContact O-N 2.83Å; K406-S408 PolarHBondContact O-N 3.48Å; K406-G409 PolarHBondContact O-N 3.17Å; K406-V413 HydrophobicContact CG-CG2 3.88Å; K406-G453 VanDerWaalsContact CE-O 3.26Å; K406-G453 WeakPolarHBondContact CE-O 3.21Å; K406-G453 PolarHBondContact NZ-O 3.43Å; K406-N455 WeakPolarHBondContact CE-OD1 3.36Å; K406-N455 PolarHBondContact NZ-OD1 2.83Å
407E94.3Very high94.1Very high135 Ų13538.5 Ų38.563%0.63120%0.201SC*.Hα-helixtrans-61.8-28.9176.1-73.1176168.400112.4K403 G409K403-E407 WeakPolarHBondContact CE-OE1 3.48Å; K403-E407 HydrophobicContact CG-CG 4.36Å; K403-E407 IonicContact NZ-OE1 3.07Å; K403-E407 WeakPolarHBondContact O-CB 3.43Å; K403-E407 WeakPolarHBondContact O-CG 2.98Å; K403-E407 PolarHBondContact O-N 3.29Å; E407-G409 VanDerWaalsContact C-N 3.28Å; E407-G409 PolarHBondContact O-N 3.11Å
408S94.8Very high94.9Very high35 Ų3536.9 Ų36.925%0.24519%0.192CC..THydrogen-bonded Turntrans-85.64.6176.6-55.60000113.9L404 L405 K406L404-S408 VanDerWaalsContact O-CB 3.29Å; L404-S408 WeakPolarHBondContact O-CB 3.38Å; L404-S408 PolarHBondContact O-N 3.47Å; L404-S408 PolarHBondContact O-OG 2.88Å; L405-S408 CarbonylContact O-C 3.46Å; L405-S408 PolarHBondContact O-N 3.26Å; K406-S408 PolarHBondContact O-N 3.48Å
409G95.9Very high95.3Very high27 Ų2736.8 Ų36.828%0.27819%0.191SC..THydrogen-bonded Turntrans102.916.1170.300000116.1G382 L405 K406 E407G382-G409 PolarHBondContact N-O 2.89Å; L405-G409 PolarHBondContact O-N 3.33Å; K406-G409 PolarHBondContact O-N 3.17Å; E407-G409 VanDerWaalsContact C-N 3.28Å; E407-G409 PolarHBondContact O-N 3.11Å
410A97.8Very high95.7Very high11 Ų1135 Ų359%0.09118%0.178CC..  trans-65.4133.3168.500000110.7F380 I385 L405 V413F380-A410 HydrophobicContact CD2-CB 3.97Å; F380-A410 HydrophobicContact CE2-CB 3.97Å; I385-A410 HydrophobicContact CD1-CB 3.62Å; I385-A410 HydrophobicContact CG1-CB 4.39Å; L405-A410 HydrophobicContact CB-CB 4.33Å; L405-A410 VanDerWaalsContact O-CB 3.27Å; L405-A410 WeakPolarHBondContact O-CB 3.17Å; L405-A410 PolarHBondContact O-N 3.25Å; A410-V413 HydrophobicContact CB-CG2 3.84Å
411K97.9Very high96Very high135 Ų13533.6 Ų33.659%0.58717%0.17SC*.SBendtrans-72.8-46177.7-173.8-172.4172-173.70111.2K383 R384K383-K411 PolarHBondContact O-N 3.24Å; R384-K411 HydrophobicContact CG-CB 4.42Å; R384-K411 HydrophobicContact CG-CD 4.1Å
412E98.3Very high96.2Very high52 Ų5233.6 Ų33.624%0.24317%0.169CC..EExtended strand (participates in β ladder)trans-142.6147178.7-58.5-177.8-142.700109.3R384 I385 H414 N455R384-E412 HydrophobicContact CB-CB 4.13Å; R384-E412 HydrophobicContact CG-CB 3.96Å; R384-E412 HydrophobicContact CG-CG 3.99Å; I385-E412 PolarHBondContact N-O 2.85Å; E412-H414 IonicContact OE2-CE1 3.47Å; E412-H414 PolarHBondContact OE2-CE1 3.44Å; E412-H414 IonicContact OE2-NE2 2.88Å; E412-H414 PolarHBondContact OE2-NE2 2.78Å; E412-N455 WeakPolarHBondContact CA-OD1 3.38Å; E412-N455 HydrophobicContact CB-CB 4.36Å; E412-N455 WeakPolarHBondContact CG-ND2 3.4Å
413V98.3Very high96.2Very high0 Ų037.5 Ų37.50%019%0.186CC..EExtended strand (participates in β ladder)trans-129.6109.2176.3-176.80000108.7I402 L405 K406 A410 I415 N455I402-V413 HydrophobicContact CG1-CG1 4.18Å; I402-V413 HydrophobicContact CG2-CB 4.28Å; I402-V413 HydrophobicContact CG2-CG1 4.23Å; L405-V413 HydrophobicContact CB-CG2 4.18Å; L405-V413 HydrophobicContact CD1-CG1 4.43Å; K406-V413 HydrophobicContact CG-CG2 3.88Å; A410-V413 HydrophobicContact CB-CG2 3.84Å; V413-I415 HydrophobicContact CG1-CD1 4.03Å; V413-N455 PolarHBondContact N-OD1 2.91Å; V413-N455 PolarHBondContact O-N 2.86Å
414H98.6Very high96.3Very high11 Ų1135 Ų355%0.05117%0.174CC..EExtended strand (participates in β ladder)trans-101.9128.5176.3-56.3-87.3000109.4V316 I385 V386 L387 E412 S456V316-H414 HydrophobicContact CG1-CB 4.16Å; I385-H414 PolarHBondContact O-N 3.5Å; V386-H414 CarbonylContact C-O 3.59Å; V386-H414 WeakPolarHBondContact CA-O 3.2Å; L387-H414 PolarHBondContact N-O 3.45Å; E412-H414 IonicContact OE2-CE1 3.47Å; E412-H414 PolarHBondContact OE2-CE1 3.44Å; E412-H414 IonicContact OE2-NE2 2.88Å; E412-H414 PolarHBondContact OE2-NE2 2.78Å; H414-S456 WeakPolarHBondContact CB-OG 3.09Å; H414-S456 PolarHBondContact ND1-OG 3.39Å
415I98.4Very high96.3Very high0 Ų033.9 Ų33.90%017%0.169CC..EExtended strand (participates in β ladder)trans-97136.3177.6-54.4-53.5000110.1L387 I392 I398 I402 V413 V417 A454 S456 V457 V458L387-I415 HydrophobicContact CB-CD1 3.83Å; L387-I415 HydrophobicContact CD2-CD1 4.04Å; L387-I415 HydrophobicContact CG-CD1 4.41Å; L387-I415 WeakPolarHBondContact O-CA 3.16Å; I392-I415 HydrophobicContact CD1-CG2 4.16Å; I398-I415 HydrophobicContact CD1-CD1 4.17Å; I398-I415 HydrophobicContact CG1-CD1 4.18Å; I398-I415 HydrophobicContact CG1-CG1 4.47Å; I402-I415 HydrophobicContact CD1-CD1 4Å; I402-I415 HydrophobicContact CD1-CG1 3.91Å; I402-I415 HydrophobicContact CG1-CD1 3.83Å; I402-I415 HydrophobicContact CG1-CG1 4.27Å; V413-I415 HydrophobicContact CG1-CD1 4.03Å; I415-V417 HydrophobicContact CG2-CG2 4Å; I415-A454 HydrophobicContact CG1-CB 3.88Å; I415-S456 PolarHBondContact N-O 3.07Å; I415-V457 HydrophobicContact CB-CB 4.34Å; I415-V457 HydrophobicContact CB-CG1 4.14Å; I415-V457 HydrophobicContact CB-CG2 3.99Å; I415-V457 HydrophobicContact CG1-CG2 4.18Å; I415-V457 HydrophobicContact CG2-CG1 4.17Å; I415-V457 WeakPolarHBondContact O-CA 3.31Å; I415-V458 PolarHBondContact O-N 3.39Å; I415-V458 VanDerWaalsContact O-N 3.11Å
416R98.3Very high96.1Very high9 Ų934.4 Ų34.43%0.03417%0.173CC..EExtended strand (participates in β ladder)trans-127.6126.6171.1-66-63.4179.7-94.19.6108.9L310 A314 V316 Y335 V386 L387 V388 D389 S456 V458L310-R416 HydrophobicContact CD2-CB 3.71Å; L310-R416 HydrophobicContact CG-CB 4.2Å; A314-R416 PolarHBondContact O-NE 3.04Å; A314-R416 PolarHBondContact O-NH2 3.04Å; V316-R416 VanDerWaalsContact CB-NH2 3.34Å; Y335-R416 HydrophobicContact CE2-CB 4.36Å; Y335-R416 HydrophobicContact CE2-CG 3.87Å; V386-R416 HydrophobicContact CG1-CB 4.21Å; V386-R416 HydrophobicContact CG1-CG 3.53Å; L387-R416 PolarHBondContact O-N 2.99Å; V388-R416 CarbonylContact C-O 3.54Å; V388-R416 VanDerWaalsContact CA-O 3.24Å; V388-R416 WeakPolarHBondContact CA-O 3.45Å; V388-R416 HydrophobicContact CG2-CB 4.26Å; D389-R416 PolarHBondContact N-O 3.22Å; R416-S456 PolarHBondContact NH1-OG 2.87Å; R416-V458 WeakPolarHBondContact CA-O 3.35Å
417V98.1Very high95.8Very high0 Ų035 Ų350%018%0.175CC..EExtended strand (participates in β ladder)trans-109.8121-176.2-169.40000108.9D389 I392 I415 S419 V458 Y459 L460D389-V417 CarbonylContact O-C 3.52Å; D389-V417 WeakPolarHBondContact O-CA 3.38Å; I392-V417 HydrophobicContact CD1-CG2 3.48Å; I392-V417 VanDerWaalsContact CD1-CG2 3.48Å; I392-V417 HydrophobicContact CG1-CG1 4.36Å; I392-V417 HydrophobicContact CG1-CG2 3.84Å; I415-V417 HydrophobicContact CG2-CG2 4Å; V417-S419 PolarHBondContact O-N 3.19Å; V417-S419 VanDerWaalsContact O-N 3.07Å; V417-V458 PolarHBondContact N-O 3.13Å; V417-Y459 HydrophobicContact CB-CD1 3.51Å; V417-Y459 HydrophobicContact CB-CE1 3.88Å; V417-Y459 HydrophobicContact CB-CG 4.06Å; V417-Y459 HydrophobicContact CG1-CD1 3.69Å; V417-Y459 HydrophobicContact CG1-CE1 3.84Å; V417-Y459 HydrophobicContact CG2-CD1 3.83Å; V417-Y459 HydrophobicContact CG2-CE1 3.76Å; V417-Y459 HydrophobicContact CG2-CG 4.28Å; V417-L460 PolarHBondContact O-N 3.3Å
418A97.2Very high95.5Very high9 Ų928.6 Ų28.67%0.07415%0.145CC..SBendtrans-77.817.4-176.800000114L310 A331 D389 L460L310-A418 HydrophobicContact CD2-CB 4.27Å; A331-A418 HydrophobicContact CB-CB 3.72Å; D389-A418 PolarHBondContact O-N 2.95Å; A418-L460 WeakPolarHBondContact O-CD2 3.47Å
419S96.8Very high94.8Very high0 Ų026.9 Ų26.90%013%0.134CC..SBendtrans-139.4161.617081.80000110.1D390 V417 Y459D390-S419 VanDerWaalsContact O-CB 3.22Å; D390-S419 WeakPolarHBondContact O-CB 3.28Å; D390-S419 PolarHBondContact O-N 2.92Å; D390-S419 PolarHBondContact O-OG 3.15Å; D390-S419 VanDerWaalsContact O-OG 3.08Å; V417-S419 PolarHBondContact O-N 3.19Å; V417-S419 VanDerWaalsContact O-N 3.07Å; S419-Y459 WeakPolarHBondContact O-CD1 3.28Å
420P97.6Very high94.2Very high2 Ų225.7 Ų25.71%0.01312%0.121CC..  trans-68.2164.9167.4-1932.9000112.3I422 L460 V462 L465 L507P420-I422 PolarHBondContact O-N 2.96Å; P420-L460 WeakPolarHBondContact CA-O 3.41Å; P420-L460 WeakPolarHBondContact CB-O 3.31Å; P420-L460 WeakPolarHBondContact CG-O 3.46Å; P420-V462 HydrophobicContact CB-CG2 3.75Å; P420-V462 HydrophobicContact CG-CB 4.28Å; P420-V462 HydrophobicContact CG-CG2 3.78Å; P420-L465 HydrophobicContact CG-CB 4.16Å; P420-L465 HydrophobicContact CG-CD2 4.12Å; P420-L507 HydrophobicContact CB-CD1 4.32Å; P420-L507 HydrophobicContact CB-CD2 4.2Å; P420-L507 HydrophobicContact CG-CD1 3.94Å
421P95.8Very high93.4Very high25 Ų2527.1 Ų27.116%0.16213%0.127CC..  trans-61.7133.3174.2-1930.9000111.7K423 A440 F445 Y459P421-K423 PolarHBondContact O-N 2.76Å; P421-A440 HydrophobicContact CB-CB 3.82Å; P421-F445 HydrophobicContact CB-CE2 4.14Å; P421-F445 HydrophobicContact CB-CZ 3.74Å; P421-F445 HydrophobicContact CG-CE2 4.34Å; P421-F445 HydrophobicContact CG-CZ 3.62Å; P421-Y459 HydrophobicContact CB-CD1 4.35Å; P421-Y459 HydrophobicContact CB-CE1 4.32Å; P421-Y459 HydrophobicContact CG-CD1 3.85Å; P421-Y459 HydrophobicContact CG-CD2 3.93Å; P421-Y459 HydrophobicContact CG-CE1 4.21Å; P421-Y459 HydrophobicContact CG-CE2 4.28Å; P421-Y459 HydrophobicContact CG-CG 3.7Å
422I95.1Very high92.6Very high2 Ų221.1 Ų21.11%0.0110%0.101CC..  trans-82112.3176.7-49.7-176.9000108.7V8 F282 V393 P420 I432 L438 A440 C506 L507V8-I422 HydrophobicContact CG2-CD1 3.93Å; F282-I422 HydrophobicContact CE1-CD1 3.68Å; F282-I422 HydrophobicContact CE1-CG1 4.19Å; F282-I422 HydrophobicContact CZ-CD1 3.85Å; F282-I422 HydrophobicContact CZ-CG1 3.93Å; V393-I422 HydrophobicContact CG2-CD1 4.15Å; P420-I422 PolarHBondContact O-N 2.96Å; I422-I432 HydrophobicContact CG2-CD1 4.05Å; I422-I432 HydrophobicContact CG2-CG2 3.9Å; I422-L438 HydrophobicContact CB-CD2 4.39Å; I422-L438 HydrophobicContact CG2-CD1 4.33Å; I422-L438 HydrophobicContact CG2-CD2 4.05Å; I422-A440 VanDerWaalsContact O-CB 3.26Å; I422-A440 WeakPolarHBondContact O-CB 3.36Å; I422-C506 HydrophobicContact CG2-CB 4.12Å; I422-L507 HydrophobicContact CG1-CD2 4.39Å
423K94.3Very high91.4Very high82 Ų8219.1 Ų19.136%0.3579%0.093SC..  trans-110.7-16.6-173.4-68.3179.9179.7-177.20113.7P421 A440 N441 C506P421-K423 PolarHBondContact O-N 2.76Å; K423-A440 HydrophobicContact CG-CB 3.88Å; K423-N441 PolarHBondContact O-ND2 2.73Å; K423-N441 PolarHBondContact O-OD1 3.17Å; K423-C506 PolarHBondContact N-O 3.28Å
424Y94.5Very high90.7Very high78 Ų7822.6 Ų22.631%0.30611%0.114SC..SBendtrans-131.1146.6-175.2-56.7-92.3000110.7C506 T508 G509Y424-C506 PolarHBondContact N-O 3.41Å; Y424-C506 WeakPolarHBondContact O-CA 3.26Å; Y424-T508 VanDerWaalsContact CE2-C 3.43Å; Y424-G509 VanDerWaalsContact CD2-CA 3.5Å
425P91.5Very high90.2Very high21 Ų2126.9 Ų26.914%0.13613%0.132CC..  trans-62.9170.3171.928.6-35.4000111.2F427 Y511P425-F427 HydrophobicContact CB-CE2 4.32Å; P425-F427 HydrophobicContact CB-CZ 4.07Å; P425-F427 HydrophobicContact CG-CE1 4.46Å; P425-F427 HydrophobicContact CG-CE2 3.71Å; P425-F427 HydrophobicContact CG-CZ 3.55Å; P425-Y511 PolarHBondContact O-OH 3.36Å
426C89.9Confident89.6Confident10 Ų1033.3 Ų33.37%0.06816%0.162CC..  trans-116.5141.6170.8-177.80000108.7M428 I430 I432C426-M428 PolarHBondContact SG-N 3.22Å; C426-M428 VanDerWaalsContact SG-N 3.45Å; C426-I430 HydrophobicContact CB-CB 3.75Å; C426-I430 HydrophobicContact CB-CG1 4.49Å; C426-I430 WeakPolarHBondContact CB-O 3.15Å; C426-I430 PolarHBondContact SG-N 2.99Å; C426-I432 HydrophobicContact CB-CB 4.2Å; C426-I432 HydrophobicContact CB-CD1 3.77Å; C426-I432 HydrophobicContact CB-CG1 3.94Å
427F88.5Confident89Confident90 Ų9036.4 Ų36.440%0.39518%0.178SC..SBendtrans-124.715.8178.6-55.8-74.8000112V126 P425 Y511 L515V126-F427 WeakPolarHBondContact CG1-O 3.31Å; P425-F427 HydrophobicContact CB-CE2 4.32Å; P425-F427 HydrophobicContact CB-CZ 4.07Å; P425-F427 HydrophobicContact CG-CE1 4.46Å; P425-F427 HydrophobicContact CG-CE2 3.71Å; P425-F427 HydrophobicContact CG-CZ 3.55Å; F427-Y511 AromaticContact CD2-CE1 3.79Å; F427-Y511 HydrophobicContact CD2-CE1 3.79Å; F427-Y511 AromaticContact CD2-CZ 3.98Å; F427-Y511 HydrophobicContact CE2-CE1 4.32Å; F427-L515 HydrophobicContact CB-CD2 4.26Å; F427-L515 HydrophobicContact CD2-CD1 3.48Å; F427-L515 VanDerWaalsContact CD2-CD1 3.48Å; F427-L515 HydrophobicContact CD2-CD2 4.15Å; F427-L515 HydrophobicContact CD2-CG 4.45Å; F427-L515 HydrophobicContact CE2-CD1 3.68Å; F427-L515 HydrophobicContact CG-CD1 4.49Å
428M88.7Confident88.6Confident1 Ų136.4 Ų36.41%0.00518%0.178CC..SBendtrans-114.818.2-173.2-72.5169.2-69.700110.4V126 T182 A183 R204 C426 C503 A505 Y511 P512V126-M428 HydrophobicContact CG1-CG 3.91Å; T182-M428 HydrophobicContact CG2-CG 4.34Å; T182-M428 HydrophobicContact CG2-SD 4.38Å; A183-M428 HydrophobicContact CB-CB 3.58Å; A183-M428 HydrophobicContact CB-CG 3.99Å; A183-M428 WeakPolarHBondContact CB-O 3.39Å; R204-M428 PolarHBondContact NE-O 2.8Å; R204-M428 PolarHBondContact NH2-O 3.28Å; C426-M428 PolarHBondContact SG-N 3.22Å; C426-M428 VanDerWaalsContact SG-N 3.45Å; M428-C503 WeakPolarHBondContact CE-SG 3.04Å; M428-A505 HydrophobicContact CE-CB 3.88Å; M428-Y511 HydrophobicContact CE-CD1 3.75Å; M428-Y511 HydrophobicContact CE-CE1 4.15Å; M428-P512 HydrophobicContact SD-CG 3.76Å
429G79.1Confident88.3Confident0 Ų036 Ų360%017%0.174CC..SBendtrans84.759.9-170.400000109.4E11 E124 R204E11-G429 WeakPolarHBondContact CG-O 3Å; E11-G429 VanDerWaalsContact OE1-CA 3.24Å; E11-G429 WeakPolarHBondContact OE1-CA 3.32Å; E11-G429 WeakPolarHBondContact OE2-CA 3.2Å; E124-G429 PolarHBondContact OE2-N 2.96Å; R204-G429 PolarHBondContact NH1-O 3.4Å; R204-G429 VanDerWaalsContact NH2-C 3.27Å; R204-G429 PolarHBondContact NH2-O 3.17Å
430I83Confident88Confident2 Ų236.6 Ų36.61%0.0118%0.179CC..  trans-138.6129.4149.4-60.1173.2000104.5V8 E11 C280 F282 F287 C426 I432V8-I430 HydrophobicContact CG1-CG2 3.12Å; E11-I430 VanDerWaalsContact OE1-CA 3.23Å; E11-I430 WeakPolarHBondContact OE1-CA 3.44Å; E11-I430 PolarHBondContact OE1-N 3.4Å; C280-I430 WeakPolarHBondContact SG-CD1 3.47Å; F282-I430 HydrophobicContact CB-CD1 3.77Å; F282-I430 HydrophobicContact CD2-CD1 4.16Å; F282-I430 HydrophobicContact CG-CD1 4.15Å; F287-I430 HydrophobicContact CD2-CD1 4.39Å; F287-I430 HydrophobicContact CE1-CG2 4.4Å; F287-I430 HydrophobicContact CE2-CB 4.44Å; F287-I430 HydrophobicContact CE2-CD1 3.61Å; F287-I430 HydrophobicContact CE2-CG1 3.87Å; F287-I430 HydrophobicContact CE2-CG2 3.64Å; F287-I430 HydrophobicContact CZ-CB 4.46Å; F287-I430 HydrophobicContact CZ-CD1 4.42Å; F287-I430 HydrophobicContact CZ-CG1 4.34Å; F287-I430 HydrophobicContact CZ-CG2 3.32Å; C426-I430 HydrophobicContact CB-CB 3.75Å; C426-I430 HydrophobicContact CB-CG1 4.49Å; C426-I430 WeakPolarHBondContact CB-O 3.15Å; C426-I430 PolarHBondContact SG-N 2.99Å; I430-I432 HydrophobicContact CB-CG1 4.16Å; I430-I432 HydrophobicContact CG2-CD1 4.35Å; I430-I432 HydrophobicContact CG2-CG1 3.71Å; I430-I432 PolarHBondContact O-N 2.92Å
431N81Confident87.8Confident40 Ų4039.3 Ų39.321%0.21419%0.193CC..BIsolated β-bridgetrans-74.474.9173.6-168.7-10.8000110.3R9R9-N431 HydrophobicContact CB-CB 4.01Å; R9-N431 PolarHBondContact N-O 3.16Å
432I81.3Confident87.6Confident10 Ų1041.4 Ų41.45%0.05120%0.2CC..PPolyproline II helixtrans-91.1130.2166.1-60.7-175.7000106.7V8 I422 C426 I430 L438 C506V8-I432 HydrophobicContact CG1-CG1 3.64Å; I422-I432 HydrophobicContact CG2-CD1 4.05Å; I422-I432 HydrophobicContact CG2-CG2 3.9Å; C426-I432 HydrophobicContact CB-CB 4.2Å; C426-I432 HydrophobicContact CB-CD1 3.77Å; C426-I432 HydrophobicContact CB-CG1 3.94Å; I430-I432 HydrophobicContact CB-CG1 4.16Å; I430-I432 HydrophobicContact CG2-CD1 4.35Å; I430-I432 HydrophobicContact CG2-CG1 3.71Å; I430-I432 PolarHBondContact O-N 2.92Å; I432-L438 HydrophobicContact CG2-CD1 4.33Å; I432-L438 HydrophobicContact CG2-CD2 3.87Å; I432-C506 HydrophobicContact CD1-CB 3.44Å; I432-C506 VanDerWaalsContact CD1-CB 3.44Å; I432-C506 WeakPolarHBondContact CD1-SG 3.31Å
433P72.9Confident87.3Confident10 Ų1046.3 Ų46.37%0.06523%0.232CC..PPolyproline II helixtrans-65173.7-17829.6-37.7000113.2V393 R394 E437 L438V393-P433 HydrophobicContact CG1-CG 3.59Å; R394-P433 HydrophobicContact CG-CG 4.49Å; P433-E437 HydrophobicContact CB-CB 3.84Å; P433-E437 HydrophobicContact CB-CG 4.49Å; P433-E437 WeakPolarHBondContact CB-OE2 3.46Å; P433-E437 HydrophobicContact CG-CB 4.29Å; P433-L438 HydrophobicContact CG-CD2 3.74Å; P433-L438 HydrophobicContact CG-CG 4.37Å
434T84.9Confident87Confident72 Ų7246 Ų4644%0.44223%0.232SC..PPolyproline II helixtrans-61160.5179.3780000111.7E436 E437 L438T434-E436 WeakPolarHBondContact CB-OE2 3.39Å; T434-E436 PolarHBondContact O-N 2.65Å; T434-E436 VanDerWaalsContact O-N 3.11Å; T434-E436 PolarHBondContact OG1-OE2 2.92Å; T434-E437 PolarHBondContact O-N 3.28Å; T434-L438 PolarHBondContact O-N 2.73Å
435K87.1Confident86.9Confident101 Ų10144.5 Ų44.544%0.43923%0.227SC..THydrogen-bonded Turntrans-54.8-35.8-176.3-167.2-179.3179.5-176.50112.4E437 N441K435-E437 VanDerWaalsContact C-N 3.35Å; K435-N441 WeakPolarHBondContact CG-ND2 3.36Å; K435-N441 WeakPolarHBondContact O-CB 3.25Å; K435-N441 PolarHBondContact O-ND2 3.14Å
436E86.3Confident86.8Confident135 Ų13550 Ų5063%0.63126%0.255SS*.THydrogen-bonded Turntrans-73.6-25.4-177.6-55.869.5-145.200112.8T434 K442T434-E436 WeakPolarHBondContact CB-OE2 3.39Å; T434-E436 PolarHBondContact O-N 2.65Å; T434-E436 VanDerWaalsContact O-N 3.11Å; T434-E436 PolarHBondContact OG1-OE2 2.92Å; E436-K442 WeakPolarHBondContact O-CE 3.46Å
437E85Confident86.9Confident75 Ų7555.5 Ų55.535%0.3528%0.28SS..THydrogen-bonded Turntrans-83.5-23.9179.8-70.2-171.7-178.100112.8R394 P433 T434 K435 I439R394-E437 IonicContact CZ-OE2 2.7Å; R394-E437 IonicContact NE-OE2 3.41Å; R394-E437 PolarHBondContact NE-OE2 2.94Å; R394-E437 IonicContact NH2-OE2 3.49Å; R394-E437 PolarHBondContact NH2-OE2 3.27Å; P433-E437 HydrophobicContact CB-CB 3.84Å; P433-E437 HydrophobicContact CB-CG 4.49Å; P433-E437 WeakPolarHBondContact CB-OE2 3.46Å; P433-E437 HydrophobicContact CG-CB 4.29Å; T434-E437 PolarHBondContact O-N 3.28Å; K435-E437 VanDerWaalsContact C-N 3.35Å; E437-I439 PolarHBondContact O-N 3.15Å
438L89.8Confident87.2Confident0 Ų051.8 Ų51.80%026%0.263CS..  trans-68.5124.7-179.8-65.7172.8000111V393 I422 I432 P433 T434 A440 N441V393-L438 HydrophobicContact CG1-CD2 3.65Å; I422-L438 HydrophobicContact CB-CD2 4.39Å; I422-L438 HydrophobicContact CG2-CD1 4.33Å; I422-L438 HydrophobicContact CG2-CD2 4.05Å; I432-L438 HydrophobicContact CG2-CD1 4.33Å; I432-L438 HydrophobicContact CG2-CD2 3.87Å; P433-L438 HydrophobicContact CG-CD2 3.74Å; P433-L438 HydrophobicContact CG-CG 4.37Å; T434-L438 PolarHBondContact O-N 2.73Å; L438-A440 PolarHBondContact O-N 2.98Å; L438-A440 VanDerWaalsContact O-N 3.14Å; L438-N441 PolarHBondContact O-N 3.41Å
439I90.4Very high87.5Confident1 Ų153 Ų531%0.00527%0.274CS..G310 helixtrans-58.7-31.6-179.2-16959.4000111.9I392 V393 E437 N441 K442 F445 L448 Y451I392-I439 HydrophobicContact CG2-CG2 4.01Å; V393-I439 WeakPolarHBondContact O-CG2 3.42Å; V393-I439 PolarHBondContact O-N 3.24Å; E437-I439 PolarHBondContact O-N 3.15Å; I439-N441 PolarHBondContact O-N 2.97Å; I439-N441 VanDerWaalsContact O-N 3.15Å; I439-K442 HydrophobicContact CD1-CD 4.2Å; I439-K442 PolarHBondContact O-N 2.96Å; I439-K442 VanDerWaalsContact O-N 3.15Å; I439-F445 WeakPolarHBondContact O-CB 3.36Å; I439-L448 HydrophobicContact CD1-CD1 4.42Å; I439-L448 HydrophobicContact CG1-CD1 3.67Å; I439-Y451 HydrophobicContact CD1-CD1 3.98Å; I439-Y451 HydrophobicContact CD1-CE1 3.6Å
440A92.3Very high88.2Confident12 Ų1260.5 Ų60.510%0.09931%0.309CS..G310 helixtrans-66.3-13.6-179.500000114.8P421 I422 K423 L438 F445P421-A440 HydrophobicContact CB-CB 3.82Å; I422-A440 VanDerWaalsContact O-CB 3.26Å; I422-A440 WeakPolarHBondContact O-CB 3.36Å; K423-A440 HydrophobicContact CG-CB 3.88Å; L438-A440 PolarHBondContact O-N 2.98Å; L438-A440 VanDerWaalsContact O-N 3.14Å; A440-F445 VanDerWaalsContact CA-CD2 3.46Å; A440-F445 HydrophobicContact CB-CD2 4.19Å; A440-F445 HydrophobicContact CB-CE2 4.03Å; A440-F445 HydrophobicContact CB-CZ 4.38Å
441N92.7Very high88.7Confident58 Ų5865.3 Ų65.331%0.3133%0.328SS..G310 helixtrans-108.50.7178.6-63.7-39.3000112.9K423 K435 L438 I439K423-N441 PolarHBondContact O-ND2 2.73Å; K423-N441 PolarHBondContact O-OD1 3.17Å; K435-N441 WeakPolarHBondContact CG-ND2 3.36Å; K435-N441 WeakPolarHBondContact O-CB 3.25Å; K435-N441 PolarHBondContact O-ND2 3.14Å; L438-N441 PolarHBondContact O-N 3.41Å; I439-N441 PolarHBondContact O-N 2.97Å; I439-N441 VanDerWaalsContact O-N 3.15Å
442K91.3Very high89.2Confident69 Ų6963.5 Ų63.530%0.332%0.318SS..SBendtrans-92.4152.9179.9-58.5-171.3176.8-178.40110.8E436 I439 E444 F445E436-K442 WeakPolarHBondContact O-CE 3.46Å; I439-K442 HydrophobicContact CD1-CD 4.2Å; I439-K442 PolarHBondContact O-N 2.96Å; I439-K442 VanDerWaalsContact O-N 3.15Å; K442-E444 WeakPolarHBondContact CB-OE2 3.23Å; K442-E444 PolarHBondContact O-N 3.21Å; K442-E444 VanDerWaalsContact O-N 3.12Å; K442-F445 VanDerWaalsContact O-CB 3.27Å; K442-F445 WeakPolarHBondContact O-CB 3.38Å; K442-F445 PolarHBondContact O-N 3.29Å
443P88.3Confident89.9Confident105 Ų10564.6 Ų64.668%0.68233%0.331SS*.G310 helixtrans-54.2-31.8177.4-25.334.3000113.5F445 D446P443-F445 PolarHBondContact O-N 3.04Å; P443-F445 VanDerWaalsContact O-N 3.15Å; P443-D446 PolarHBondContact O-N 3.08Å
444E88.4Confident91Very high76 Ų7664.6 Ų64.636%0.35533%0.333SS..G310 helixtrans-65.9-14.1179.8-5993.7149.600113.5K442 D446 H447 L448 Y451K442-E444 WeakPolarHBondContact CB-OE2 3.23Å; K442-E444 PolarHBondContact O-N 3.21Å; K442-E444 VanDerWaalsContact O-N 3.12Å; E444-D446 VanDerWaalsContact C-N 3.28Å; E444-D446 PolarHBondContact O-N 3.5Å; E444-H447 CarbonylContact O-C 3.1Å; E444-H447 PolarHBondContact O-N 2.89Å; E444-L448 WeakPolarHBondContact O-CA 3.31Å; E444-L448 PolarHBondContact O-N 3.4Å; E444-Y451 HydrophobicContact CB-CD1 4.35Å; E444-Y451 HydrophobicContact CB-CD2 3.69Å; E444-Y451 HydrophobicContact CB-CE2 4.15Å; E444-Y451 HydrophobicContact CB-CG 3.79Å; E444-Y451 HydrophobicContact CG-CD2 3.62Å; E444-Y451 HydrophobicContact CG-CE2 3.81Å; E444-Y451 HydrophobicContact CG-CG 4.26Å
445F91.6Very high91.6Very high47 Ų4764.5 Ų64.521%0.20633%0.329CS..G310 helixtrans-63.5-33.1177.6-168.1-107.8000113P421 I439 A440 K442 P443 H447 L448 Y459P421-F445 HydrophobicContact CB-CE2 4.14Å; P421-F445 HydrophobicContact CB-CZ 3.74Å; P421-F445 HydrophobicContact CG-CE2 4.34Å; P421-F445 HydrophobicContact CG-CZ 3.62Å; I439-F445 WeakPolarHBondContact O-CB 3.36Å; A440-F445 VanDerWaalsContact CA-CD2 3.46Å; A440-F445 HydrophobicContact CB-CD2 4.19Å; A440-F445 HydrophobicContact CB-CE2 4.03Å; A440-F445 HydrophobicContact CB-CZ 4.38Å; K442-F445 VanDerWaalsContact O-CB 3.27Å; K442-F445 WeakPolarHBondContact O-CB 3.38Å; K442-F445 PolarHBondContact O-N 3.29Å; P443-F445 PolarHBondContact O-N 3.04Å; P443-F445 VanDerWaalsContact O-N 3.15Å; F445-H447 PolarHBondContact O-N 2.98Å; F445-L448 HydrophobicContact CD2-CB 4.48Å; F445-L448 HydrophobicContact CD2-CD1 4.39Å; F445-L448 HydrophobicContact CD2-CD2 4Å; F445-L448 HydrophobicContact CE2-CD2 3.85Å; F445-L448 WeakPolarHBondContact O-CB 3.32Å; F445-L448 PolarHBondContact O-N 3.46Å; F445-Y459 AromaticContact CE2-CE2 3.9Å; F445-Y459 HydrophobicContact CE2-CE2 3.9Å; F445-Y459 HydrophobicContact CZ-CE2 4.14Å
446D89.6Confident92.1Very high135 Ų13561 Ų6172%0.72232%0.317SS*.G310 helixtrans-63.1-27.1177.7-67.5-22.4000111.8P443 E444P443-D446 PolarHBondContact O-N 3.08Å; E444-D446 VanDerWaalsContact C-N 3.28Å; E444-D446 PolarHBondContact O-N 3.5Å
447H92.8Very high92.7Very high127 Ų12755.7 Ų55.759%0.58829%0.294SS*.G310 helixtrans-121.638.1177.3-62.5-72.8000111.7E444 F445 A449 E450 Y451E444-H447 CarbonylContact O-C 3.1Å; E444-H447 PolarHBondContact O-N 2.89Å; F445-H447 PolarHBondContact O-N 2.98Å; H447-A449 VanDerWaalsContact C-N 3.27Å; H447-A449 PolarHBondContact O-N 3.42Å; H447-A449 VanDerWaalsContact O-N 3.14Å; H447-E450 WeakPolarHBondContact O-CB 3.36Å; H447-E450 PolarHBondContact O-N 3.47Å; H447-Y451 PolarHBondContact O-N 2.95Å
448L94.1Very high93.3Very high11 Ų1154.7 Ų54.76%0.05829%0.293CS..Hα-helixtrans-56.4-38-169.7-176.866.3000113.9I439 E444 F445 E450 Y451 L452 V457 Y459I439-L448 HydrophobicContact CD1-CD1 4.42Å; I439-L448 HydrophobicContact CG1-CD1 3.67Å; E444-L448 WeakPolarHBondContact O-CA 3.31Å; E444-L448 PolarHBondContact O-N 3.4Å; F445-L448 HydrophobicContact CD2-CB 4.48Å; F445-L448 HydrophobicContact CD2-CD1 4.39Å; F445-L448 HydrophobicContact CD2-CD2 4Å; F445-L448 HydrophobicContact CE2-CD2 3.85Å; F445-L448 WeakPolarHBondContact O-CB 3.32Å; F445-L448 PolarHBondContact O-N 3.46Å; L448-E450 VanDerWaalsContact C-N 3.35Å; L448-E450 PolarHBondContact O-N 2.85Å; L448-Y451 HydrophobicContact CD1-CD1 4.42Å; L448-Y451 PolarHBondContact O-N 2.69Å; L448-L452 HydrophobicContact CD1-CD1 3.82Å; L448-L452 HydrophobicContact CD1-CD2 4.42Å; L448-L452 HydrophobicContact CD1-CG 3.85Å; L448-L452 HydrophobicContact CD2-CD1 4.33Å; L448-L452 HydrophobicContact CG-CD1 3.83Å; L448-L452 HydrophobicContact CG-CG 4.18Å; L448-L452 WeakPolarHBondContact O-CB 3.42Å; L448-L452 WeakPolarHBondContact O-CG 3.44Å; L448-L452 PolarHBondContact O-N 3.28Å; L448-V457 HydrophobicContact CD2-CB 4.24Å; L448-V457 HydrophobicContact CD2-CG1 3.68Å; L448-V457 HydrophobicContact CG-CG1 4.37Å; L448-Y459 HydrophobicContact CD2-CE2 3.52Å; L448-Y459 VanDerWaalsContact CD2-OH 3.23Å; L448-Y459 WeakPolarHBondContact CD2-OH 3.26Å
449A95.2Very high93.7Very high27 Ų2756 Ų5622%0.22330%0.298CS..Hα-helixtrans-61.5-44.217900000111.8H447 G453 A454 V457H447-A449 VanDerWaalsContact C-N 3.27Å; H447-A449 PolarHBondContact O-N 3.42Å; H447-A449 VanDerWaalsContact O-N 3.14Å; A449-G453 CarbonylContact O-C 3.55Å; A449-G453 PolarHBondContact O-N 2.83Å; A449-A454 PolarHBondContact O-N 3.28Å; A449-V457 HydrophobicContact CB-CB 4.49Å; A449-V457 HydrophobicContact CB-CG2 3.96Å
450E94.5Very high94.1Very high158 Ų15856 Ų5674%0.73830%0.298SS*.Hα-helixtrans-65.8-46.3176.4-175.8175.3-177.800110.9H447 L448 L452 G453H447-E450 WeakPolarHBondContact O-CB 3.36Å; H447-E450 PolarHBondContact O-N 3.47Å; L448-E450 VanDerWaalsContact C-N 3.35Å; L448-E450 PolarHBondContact O-N 2.85Å; E450-L452 VanDerWaalsContact C-N 3.33Å; E450-L452 PolarHBondContact O-N 3.16Å; E450-G453 PolarHBondContact O-N 3.05Å
451Y92.9Very high94.4Very high102 Ų10257.2 Ų57.240%0.431%0.306SS..Hα-helixtrans-57.5-43.6178.5178.6-103.3000112.9I439 E444 H447 L448 G453I439-Y451 HydrophobicContact CD1-CD1 3.98Å; I439-Y451 HydrophobicContact CD1-CE1 3.6Å; E444-Y451 HydrophobicContact CB-CD1 4.35Å; E444-Y451 HydrophobicContact CB-CD2 3.69Å; E444-Y451 HydrophobicContact CB-CE2 4.15Å; E444-Y451 HydrophobicContact CB-CG 3.79Å; E444-Y451 HydrophobicContact CG-CD2 3.62Å; E444-Y451 HydrophobicContact CG-CE2 3.81Å; E444-Y451 HydrophobicContact CG-CG 4.26Å; H447-Y451 PolarHBondContact O-N 2.95Å; L448-Y451 HydrophobicContact CD1-CD1 4.42Å; L448-Y451 PolarHBondContact O-N 2.69Å; Y451-G453 VanDerWaalsContact C-N 3.3Å
452L92.5Very high94.6Very high3 Ų356.2 Ų56.22%0.01630%0.302CS..Hα-helixtrans-79.4-13.5177.8-63.5-179.6000113I392 I398 I402 L448 E450 V457I392-L452 HydrophobicContact CD1-CD1 4.3Å; I398-L452 HydrophobicContact CG2-CD1 3.84Å; I398-L452 HydrophobicContact CG2-CD2 3.93Å; I398-L452 HydrophobicContact CG2-CG 4.45Å; I402-L452 HydrophobicContact CD1-CB 3.85Å; L448-L452 HydrophobicContact CD1-CD1 3.82Å; L448-L452 HydrophobicContact CD1-CD2 4.42Å; L448-L452 HydrophobicContact CD1-CG 3.85Å; L448-L452 HydrophobicContact CD2-CD1 4.33Å; L448-L452 HydrophobicContact CG-CD1 3.83Å; L448-L452 HydrophobicContact CG-CG 4.18Å; L448-L452 WeakPolarHBondContact O-CB 3.42Å; L448-L452 WeakPolarHBondContact O-CG 3.44Å; L448-L452 PolarHBondContact O-N 3.28Å; E450-L452 VanDerWaalsContact C-N 3.33Å; E450-L452 PolarHBondContact O-N 3.16Å; L452-V457 HydrophobicContact CD1-CG2 4.14Å
453G94.4Very high94.9Very high32 Ų3259.5 Ų59.533%0.3332%0.318SS..THydrogen-bonded Turntrans76.820.2-174.200000114.1I402 K406 A449 E450 Y451I402-G453 VanDerWaalsContact CG2-O 3.22Å; I402-G453 WeakPolarHBondContact CG2-O 3.38Å; K406-G453 VanDerWaalsContact CE-O 3.26Å; K406-G453 WeakPolarHBondContact CE-O 3.21Å; K406-G453 PolarHBondContact NZ-O 3.43Å; A449-G453 CarbonylContact O-C 3.55Å; A449-G453 PolarHBondContact O-N 2.83Å; E450-G453 PolarHBondContact O-N 3.05Å; Y451-G453 VanDerWaalsContact C-N 3.3Å
454A97Very high95.4Very high11 Ų1154.6 Ų54.69%0.09129%0.287CS..  trans-87.9161.817600000112.1I402 I415 A449 V457I402-A454 HydrophobicContact CD1-CB 3.98Å; I415-A454 HydrophobicContact CG1-CB 3.88Å; A449-A454 PolarHBondContact O-N 3.28Å; A454-V457 HydrophobicContact CB-CG2 3.83Å
455N98Very high95.8Very high70 Ų7051 Ų5137%0.37427%0.27SS..SBendtrans-77.9-32.3173-70.867.8000111.9K406 E412 V413K406-N455 WeakPolarHBondContact CE-OD1 3.36Å; K406-N455 PolarHBondContact NZ-OD1 2.83Å; E412-N455 WeakPolarHBondContact CA-OD1 3.38Å; E412-N455 HydrophobicContact CB-CB 4.36Å; E412-N455 WeakPolarHBondContact CG-ND2 3.4Å; V413-N455 PolarHBondContact N-OD1 2.91Å; V413-N455 PolarHBondContact O-N 2.86Å
456S97.9Very high96Very high26 Ų2650.4 Ų50.418%0.18227%0.27CS..EExtended strand (participates in β ladder)trans-157.9151.2171.368.70000109.3H414 I415 R416H414-S456 WeakPolarHBondContact CB-OG 3.09Å; H414-S456 PolarHBondContact ND1-OG 3.39Å; I415-S456 PolarHBondContact N-O 3.07Å; R416-S456 PolarHBondContact NH1-OG 2.87Å
457V97.9Very high96.3Very high25 Ų2546.6 Ų46.615%0.15225%0.254CS..EExtended strand (participates in β ladder)trans-133.1123.9172.2-1770000107.3I392 I415 L448 A449 L452 A454 Y459I392-V457 HydrophobicContact CD1-CG1 4.47Å; I415-V457 HydrophobicContact CB-CB 4.34Å; I415-V457 HydrophobicContact CB-CG1 4.14Å; I415-V457 HydrophobicContact CB-CG2 3.99Å; I415-V457 HydrophobicContact CG1-CG2 4.18Å; I415-V457 HydrophobicContact CG2-CG1 4.17Å; I415-V457 WeakPolarHBondContact O-CA 3.31Å; L448-V457 HydrophobicContact CD2-CB 4.24Å; L448-V457 HydrophobicContact CD2-CG1 3.68Å; L448-V457 HydrophobicContact CG-CG1 4.37Å; A449-V457 HydrophobicContact CB-CB 4.49Å; A449-V457 HydrophobicContact CB-CG2 3.96Å; L452-V457 HydrophobicContact CD1-CG2 4.14Å; A454-V457 HydrophobicContact CB-CG2 3.83Å; V457-Y459 HydrophobicContact CG1-CD2 4.5Å; V457-Y459 HydrophobicContact CG1-CE2 3.94Å
458V98Very high96.5Very high53 Ų5340.6 Ų40.632%0.32123%0.226SC..EExtended strand (participates in β ladder)trans-135.6136.2177.6-170.80000109.5A314 I415 R416 V417A314-V458 HydrophobicContact CB-CB 3.83Å; A314-V458 HydrophobicContact CB-CG1 3.41Å; A314-V458 VanDerWaalsContact CB-CG1 3.41Å; A314-V458 HydrophobicContact CB-CG2 4.46Å; I415-V458 PolarHBondContact O-N 3.39Å; I415-V458 VanDerWaalsContact O-N 3.11Å; R416-V458 WeakPolarHBondContact CA-O 3.35Å; V417-V458 PolarHBondContact N-O 3.13Å
459Y98.3Very high96.6Very high29 Ų2940.1 Ų40.111%0.11422%0.224CC..EExtended strand (participates in β ladder)trans-101.3152.3179.2-67.3-102.8000110.3I392 V417 S419 P421 F445 L448 V457I392-Y459 HydrophobicContact CB-CE1 4.28Å; V417-Y459 HydrophobicContact CB-CD1 3.51Å; V417-Y459 HydrophobicContact CB-CE1 3.88Å; V417-Y459 HydrophobicContact CB-CG 4.06Å; V417-Y459 HydrophobicContact CG1-CD1 3.69Å; V417-Y459 HydrophobicContact CG1-CE1 3.84Å; V417-Y459 HydrophobicContact CG2-CD1 3.83Å; V417-Y459 HydrophobicContact CG2-CE1 3.76Å; V417-Y459 HydrophobicContact CG2-CG 4.28Å; S419-Y459 WeakPolarHBondContact O-CD1 3.28Å; P421-Y459 HydrophobicContact CB-CD1 4.35Å; P421-Y459 HydrophobicContact CB-CE1 4.32Å; P421-Y459 HydrophobicContact CG-CD1 3.85Å; P421-Y459 HydrophobicContact CG-CD2 3.93Å; P421-Y459 HydrophobicContact CG-CE1 4.21Å; P421-Y459 HydrophobicContact CG-CE2 4.28Å; P421-Y459 HydrophobicContact CG-CG 3.7Å; F445-Y459 AromaticContact CE2-CE2 3.9Å; F445-Y459 HydrophobicContact CE2-CE2 3.9Å; F445-Y459 HydrophobicContact CZ-CE2 4.14Å; L448-Y459 HydrophobicContact CD2-CE2 3.52Å; L448-Y459 VanDerWaalsContact CD2-OH 3.23Å; L448-Y459 WeakPolarHBondContact CD2-OH 3.26Å; V457-Y459 HydrophobicContact CG1-CD2 4.5Å; V457-Y459 HydrophobicContact CG1-CE2 3.94Å
460L98.4Very high96.5Very high1 Ų141.9 Ų41.91%0.00523%0.227CC..PPolyproline II helixtrans-61.1140.3164.2-174.261.8000109.9C306 Q309 L310 V417 A418 P420 L465C306-L460 HydrophobicContact CB-CD2 4.01Å; Q309-L460 HydrophobicContact CB-CD1 4.05Å; Q309-L460 HydrophobicContact CG-CD1 3.74Å; L310-L460 HydrophobicContact CB-CD1 4.19Å; L310-L460 HydrophobicContact CD1-CB 4.11Å; V417-L460 PolarHBondContact O-N 3.3Å; A418-L460 WeakPolarHBondContact O-CD2 3.47Å; P420-L460 WeakPolarHBondContact CA-O 3.41Å; P420-L460 WeakPolarHBondContact CB-O 3.31Å; P420-L460 WeakPolarHBondContact CG-O 3.46Å; L460-L465 HydrophobicContact CD2-CB 3.89Å; L460-L465 HydrophobicContact CD2-CD1 4.26Å; L460-L465 HydrophobicContact CG-CB 4.39Å
461S98.3Very high96.3Very high36 Ų3641 Ų4125%0.25222%0.223SC..PPolyproline II helixtrans-68.4158.5173.768.40000112.3E313 E463 G464 L465E313-S461 PolarHBondContact OE1-OG 3.2Å; E313-S461 WeakPolarHBondContact OE2-CB 3.41Å; E313-S461 PolarHBondContact OE2-N 3.09Å; E313-S461 PolarHBondContact OE2-OG 3.13Å; S461-E463 VanDerWaalsContact C-N 3.28Å; S461-E463 PolarHBondContact O-N 2.98Å; S461-G464 PolarHBondContact O-N 3.08Å; S461-G464 WeakPolarHBondContact OG-CA 3.08Å; S461-G464 PolarHBondContact OG-N 3.05Å; S461-L465 PolarHBondContact O-N 2.73Å
462V97.9Very high95.8Very high37 Ų3736.7 Ų36.722%0.22421%0.21CC..Hα-helixtrans-63.3-42176.4176.60000110P420 L465 V466 L507 T508P420-V462 HydrophobicContact CB-CG2 3.75Å; P420-V462 HydrophobicContact CG-CB 4.28Å; P420-V462 HydrophobicContact CG-CG2 3.78Å; V462-L465 PolarHBondContact O-N 3.06Å; V462-V466 HydrophobicContact CG1-CG2 4.38Å; V462-V466 WeakPolarHBondContact O-CB 3.33Å; V462-V466 VanDerWaalsContact O-CG2 3.31Å; V462-V466 WeakPolarHBondContact O-CG2 3.49Å; V462-V466 PolarHBondContact O-N 3.43Å; V462-L507 HydrophobicContact CG2-CB 4.36Å; V462-T508 HydrophobicContact CG1-CG2 3.92Å; V462-T508 HydrophobicContact CG2-CG2 4.46Å
463E97.3Very high95.6Very high139 Ų13937.7 Ų37.765%0.6522%0.215SC*.Hα-helixtrans-62.2-42.8176.3-63.171.5-157.600111.2S461 S467S461-E463 VanDerWaalsContact C-N 3.28Å; S461-E463 PolarHBondContact O-N 2.98Å; E463-S467 VanDerWaalsContact O-CB 3.26Å; E463-S467 WeakPolarHBondContact O-CB 3.41Å; E463-S467 PolarHBondContact O-N 2.81Å; E463-S467 PolarHBondContact O-OG 3.07Å
464G97.7Very high94.4Very high2 Ų243.8 Ų43.82%0.02123%0.232CC..Hα-helixtrans-62.7-42.9175.500000113E313 S461 S467 S468E313-G464 VanDerWaalsContact OE1-CA 3.32Å; E313-G464 WeakPolarHBondContact OE1-CA 3.31Å; S461-G464 PolarHBondContact O-N 3.08Å; S461-G464 WeakPolarHBondContact OG-CA 3.08Å; S461-G464 PolarHBondContact OG-N 3.05Å; G464-S467 WeakPolarHBondContact CA-OG 3.48Å; G464-S467 PolarHBondContact O-OG 3.28Å; G464-S468 VanDerWaalsContact O-CB 3.3Å; G464-S468 WeakPolarHBondContact O-CB 3.39Å; G464-S468 PolarHBondContact O-N 2.92Å; G464-S468 PolarHBondContact O-OG 3.45Å
465L97.8Very high92.5Very high1 Ų149.9 Ų49.91%0.00526%0.257CS..Hα-helixtrans-65.3-50.9175.5177.361.1000111.5I281 V285 P420 L460 S461 V462 S467 S468 V469 L507I281-L465 HydrophobicContact CD1-CD2 3.7Å; I281-L465 HydrophobicContact CD1-CG 3.73Å; I281-L465 HydrophobicContact CG1-CD2 4.08Å; I281-L465 HydrophobicContact CG1-CG 4.27Å; V285-L465 HydrophobicContact CG2-CD1 4Å; V285-L465 HydrophobicContact CG2-CD2 3.95Å; P420-L465 HydrophobicContact CG-CB 4.16Å; P420-L465 HydrophobicContact CG-CD2 4.12Å; L460-L465 HydrophobicContact CD2-CB 3.89Å; L460-L465 HydrophobicContact CD2-CD1 4.26Å; L460-L465 HydrophobicContact CG-CB 4.39Å; S461-L465 PolarHBondContact O-N 2.73Å; V462-L465 PolarHBondContact O-N 3.06Å; L465-S467 PolarHBondContact O-N 3.39Å; L465-S468 PolarHBondContact O-N 3.19Å; L465-V469 HydrophobicContact CD1-CG2 4.18Å; L465-V469 VanDerWaalsContact O-CG2 3.32Å; L465-V469 WeakPolarHBondContact O-CG2 3.47Å; L465-V469 PolarHBondContact O-N 3.14Å; L465-L507 HydrophobicContact CD2-CD1 3.85Å
466V96.4Very high89.9Confident34 Ų3452 Ų5221%0.20626%0.263CS..Hα-helixtrans-62-44.7-177.8171.60000110.9I281 V462 V469 Q470 T504I281-V466 HydrophobicContact CD1-CG2 4Å; V462-V466 HydrophobicContact CG1-CG2 4.38Å; V462-V466 WeakPolarHBondContact O-CB 3.33Å; V462-V466 VanDerWaalsContact O-CG2 3.31Å; V462-V466 WeakPolarHBondContact O-CG2 3.49Å; V462-V466 PolarHBondContact O-N 3.43Å; V466-V469 PolarHBondContact O-N 2.67Å; V466-Q470 HydrophobicContact CG1-CG 4.32Å; V466-Q470 WeakPolarHBondContact O-CB 3.4Å; V466-Q470 VanDerWaalsContact O-CG 3.3Å; V466-Q470 WeakPolarHBondContact O-CG 3.34Å; V466-Q470 PolarHBondContact O-N 3.1Å; V466-T504 HydrophobicContact CG2-CG2 3.85Å
467S95.6Very high87Confident54 Ų5460.6 Ų60.638%0.37830%0.297SS..Hα-helixtrans-62.3-43.817756.10000112.3E463 G464 L465 V469 Q470 E471E463-S467 VanDerWaalsContact O-CB 3.26Å; E463-S467 WeakPolarHBondContact O-CB 3.41Å; E463-S467 PolarHBondContact O-N 2.81Å; E463-S467 PolarHBondContact O-OG 3.07Å; G464-S467 WeakPolarHBondContact CA-OG 3.48Å; G464-S467 PolarHBondContact O-OG 3.28Å; L465-S467 PolarHBondContact O-N 3.39Å; S467-V469 VanDerWaalsContact C-N 3.31Å; S467-V469 PolarHBondContact O-N 3.01Å; S467-Q470 PolarHBondContact O-N 2.86Å; S467-E471 WeakPolarHBondContact O-CB 2.88Å; S467-E471 PolarHBondContact O-N 3.46Å
468S96.4Very high84Confident2 Ų263.6 Ų63.61%0.01431%0.309CS..Hα-helixtrans-60.9-38177.8-61.70000113Q309 G464 L465Q309-S468 WeakPolarHBondContact CB-OG 3.3Å; G464-S468 VanDerWaalsContact O-CB 3.3Å; G464-S468 WeakPolarHBondContact O-CB 3.39Å; G464-S468 PolarHBondContact O-N 2.92Å; G464-S468 PolarHBondContact O-OG 3.45Å; L465-S468 PolarHBondContact O-N 3.19Å
469V95.2Very high80.8Confident0 Ų070.9 Ų70.90%034%0.336CS..Hα-helixtrans-69.9-44.91761740000110.7I281 Y284 Q297 V302 L465 V466 S467 H502I281-V469 HydrophobicContact CD1-CG2 4.43Å; I281-V469 HydrophobicContact CG1-CG2 4.2Å; Y284-V469 HydrophobicContact CD2-CG1 3.56Å; Y284-V469 HydrophobicContact CD2-CG2 4.25Å; Y284-V469 HydrophobicContact CE2-CG1 3.58Å; Y284-V469 HydrophobicContact CG-CG1 4.39Å; Y284-V469 HydrophobicContact CG-CG2 4.47Å; Q297-V469 PolarHBondContact NE2-O 2.89Å; Q297-V469 PolarHBondContact OE1-O 2.7Å; V302-V469 HydrophobicContact CG1-CB 4.31Å; V302-V469 HydrophobicContact CG1-CG2 3.72Å; L465-V469 HydrophobicContact CD1-CG2 4.18Å; L465-V469 VanDerWaalsContact O-CG2 3.32Å; L465-V469 WeakPolarHBondContact O-CG2 3.47Å; L465-V469 PolarHBondContact O-N 3.14Å; V466-V469 PolarHBondContact O-N 2.67Å; S467-V469 VanDerWaalsContact C-N 3.31Å; S467-V469 PolarHBondContact O-N 3.01Å; V469-H502 WeakPolarHBondContact CG1-NE2 3.45Å
470Q93.1Very high77.7Confident65 Ų6574.5 Ų74.530%0.30436%0.355SS..Hα-helixtrans-75.7-26-174.9-70.8-179.3-10.900113.7V466 S467 G472 I473 S500V466-Q470 HydrophobicContact CG1-CG 4.32Å; V466-Q470 WeakPolarHBondContact O-CB 3.4Å; V466-Q470 VanDerWaalsContact O-CG 3.3Å; V466-Q470 WeakPolarHBondContact O-CG 3.34Å; V466-Q470 PolarHBondContact O-N 3.1Å; S467-Q470 PolarHBondContact O-N 2.86Å; Q470-G472 PolarHBondContact O-N 3.3Å; Q470-I473 HydrophobicContact CG-CD1 4.41Å; Q470-I473 PolarHBondContact O-N 2.68Å; Q470-I473 VanDerWaalsContact O-N 3.12Å; Q470-S500 PolarHBondContact NE2-O 3.47Å
471E90.9Very high74.2Confident140 Ų14083 Ų8365%0.65439%0.392SS*.THydrogen-bonded Turntrans-54.7-37.9-177.3-172.1-171.8147.500113.3S467S467-E471 WeakPolarHBondContact O-CB 2.88Å; S467-E471 PolarHBondContact O-N 3.46Å
472G83.4Confident71Confident11 Ų1190.3 Ų90.311%0.11342%0.419CS..THydrogen-bonded Turntrans-86.3-8.7-177.100000115.6R305 Q470 K474R305-G472 VanDerWaalsContact CZ-CA 3.49Å; R305-G472 VanDerWaalsContact NH1-CA 3.3Å; R305-G472 VanDerWaalsContact NH2-CA 3.33Å; Q470-G472 PolarHBondContact O-N 3.3Å; G472-K474 PolarHBondContact O-N 3.14Å
473I88.2Confident67.7Low24 Ų2496.8 Ų96.812%0.12345%0.446CS..  trans-74.3105-174.1-59.5178.9000108.2E295 Q297 Q470 F475E295-I473 HydrophobicContact CB-CD1 4.43Å; E295-I473 HydrophobicContact CB-CG1 4.33Å; Q297-I473 VanDerWaalsContact NE2-CG1 3.26Å; Q470-I473 HydrophobicContact CG-CD1 4.41Å; Q470-I473 PolarHBondContact O-N 2.68Å; Q470-I473 VanDerWaalsContact O-N 3.12Å; I473-F475 PolarHBondContact O-N 3.12Å
474K68.3Low64.6Low160 Ų16096.6 Ų96.670%0.69645%0.45SS*.  trans-79.2103.3173-67.5179.2-176.9174.70107.4G472 K476G472-K474 PolarHBondContact O-N 3.14Å; K474-K476 PolarHBondContact O-N 3.46Å
475F56.6Low61.7Low138 Ų138100 Ų10061%0.60547%0.467SS*.  trans-62.988.3161.7-67.3-80.5000108.1I473 K477 S500I473-F475 PolarHBondContact O-N 3.12Å; F475-K477 PolarHBondContact O-N 2.95Å; F475-S500 WeakPolarHBondContact CZ-OG 3.4Å
476K44.4Very low58.5Low115 Ų115107.5 Ų107.550%0.550%0.504SS..  trans-59.9113.8163.7-77.1175.8-176.9148.70104.9D296 K474 Q478D296-K476 IonicContact OD1-NZ 2.89Å; D296-K476 PolarHBondContact OD1-NZ 3.21Å; D296-K476 WeakPolarHBondContact OD2-CE 3.34Å; D296-K476 IonicContact OD2-NZ 3.43Å; D296-K476 PolarHBondContact OD2-NZ 3.35Å; K474-K476 PolarHBondContact O-N 3.46Å; K476-Q478 HydrophobicContact CB-CG 4.07Å; K476-Q478 PolarHBondContact O-N 3.44Å
477K35.9Very low55.5Low206 Ų206112.1 Ų112.190%0.89653%0.526SS*.  trans-5885.3149.6-78.2-178176.3178.90105.3F475 K479F475-K477 PolarHBondContact O-N 2.95Å; K477-K479 PolarHBondContact O-N 3.28Å
478Q35.6Very low52.4Low88 Ų88118.1 Ų118.141%0.41155%0.548SS..  trans-67.782.8171.3-87.6178-25.900106.7K476 E480K476-Q478 HydrophobicContact CB-CG 4.07Å; K476-Q478 PolarHBondContact O-N 3.44Å; Q478-E480 HydrophobicContact CB-CG 3.98Å; Q478-E480 VanDerWaalsContact CD-OE1 3.23Å; Q478-E480 HydrophobicContact CG-CG 3.88Å; Q478-E480 PolarHBondContact NE2-OE1 3.05Å; Q478-E480 PolarHBondContact O-N 3.13Å; Q478-E480 VanDerWaalsContact O-N 3.11Å
479K31Very low49.2Very low206 Ų206125.9 Ų125.990%0.89658%0.584SS**  trans-72.872.4141.8-84.9-172.3173-177.10105.8K477K477-K479 PolarHBondContact O-N 3.28Å
480E32.6Very low45.9Very low106 Ų106133.7 Ų133.750%0.49563%0.626SS.*  trans-68.9133166.8-81.4178.7169.700107.9Q478 K482 I485Q478-E480 HydrophobicContact CB-CG 3.98Å; Q478-E480 VanDerWaalsContact CD-OE1 3.23Å; Q478-E480 HydrophobicContact CG-CG 3.88Å; Q478-E480 PolarHBondContact NE2-OE1 3.05Å; Q478-E480 PolarHBondContact O-N 3.13Å; Q478-E480 VanDerWaalsContact O-N 3.11Å; E480-K482 PolarHBondContact O-N 2.92Å; E480-I485 WeakPolarHBondContact OE2-CD1 2.98Å
481K26.2Very low42.9Very low180 Ų180133.9 Ų133.978%0.78365%0.645SS**  trans-60.2133.3178.3-75.6177.9175.1179.10107.6H483K481-H483 PolarHBondContact O-N 2.9Å
482K30.2Very low39.9Very low188 Ų188134.8 Ų134.882%0.81765%0.654SS**THydrogen-bonded Turntrans-52.915175.7-95.5-169.9172-163.20116.4E480E480-K482 PolarHBondContact O-N 2.92Å
483H29.6Very low37.2Very low174 Ų174138 Ų13881%0.80669%0.688SS**THydrogen-bonded Turntrans-108.4-17.2-178.5-82.4-10.7000115.4K481K481-H483 PolarHBondContact O-N 2.9Å
484D31.5Very low34.7Very low135 Ų135141.5 Ų141.572%0.72271%0.706SS**SBendtrans-108.52.8-177.7-64.5-32000114.2
485I36.9Very low32.8Very low73 Ų73142.9 Ų142.937%0.37472%0.715SS.*  trans-131.994.7173.4-42.2176.2000107.7E480 I487E480-I485 WeakPolarHBondContact OE2-CD1 2.98Å; I485-I487 HydrophobicContact CB-CG1 4.3Å; I485-I487 HydrophobicContact CG2-CD1 3.97Å; I485-I487 HydrophobicContact CG2-CG1 3.36Å; I485-I487 PolarHBondContact O-N 3.3Å
486M29.8Very low31.9Very low159 Ų159138.5 Ų138.578%0.78370%0.701SS**  trans-75.879.3164.2-77.3-163.2-179.400108.4Q488M486-Q488 PolarHBondContact O-N 3.03Å
487I34.9Very low31.9Very low130 Ų130140.9 Ų140.967%0.66771%0.712SS**  trans-71.6115.9161.2-51.9-175.1000105.5I485 E489I485-I487 HydrophobicContact CB-CG1 4.3Å; I485-I487 HydrophobicContact CG2-CD1 3.97Å; I485-I487 HydrophobicContact CG2-CG1 3.36Å; I485-I487 PolarHBondContact O-N 3.3Å; I487-E489 PolarHBondContact O-N 3.41Å; I487-E489 VanDerWaalsContact O-N 3.1Å
488Q29.2Very low32.5Very low180 Ų180134.3 Ų134.384%0.84168%0.684SS**  trans-61.9115.8168.6-78.6-172.8-12.300108M486 N490M486-Q488 PolarHBondContact O-N 3.03Å; Q488-N490 PolarHBondContact O-N 3.1Å
489E29.8Very low33.5Very low166 Ų166138.4 Ų138.478%0.77670%0.701SS**  trans-62.2107-178.5-73.2-175.9156.200110.2I487I487-E489 PolarHBondContact O-N 3.41Å; I487-E489 VanDerWaalsContact O-N 3.1Å
490N26.4Very low35.2Very low164 Ų164129.8 Ų129.888%0.87767%0.666SS**  trans-141.690.8151.3-91.3-25.7000109Q488Q488-N490 PolarHBondContact O-N 3.1Å
491G29.7Very low37.7Very low69 Ų69125.1 Ų125.171%0.71165%0.647SS**SBendtrans39.982.8149.500000119.3
492N27.1Very low41Very low158 Ų158117.4 Ų117.485%0.84561%0.613SS**  173.4114.2124.8-87.3-17.7000107.4L494N492-L494 PolarHBondContact O-N 2.96Å
493G28.3Very low44.1Very low80 Ų80108.9 Ų108.983%0.82558%0.577SS**  trans-58.3124.3-178.700000111E495G493-E495 PolarHBondContact O-N 2.66Å
494L34.2Very low47.2Very low97 Ų97101.8 Ų101.851%0.50855%0.546SS..  trans-72.589.7-177.4-135.188.2000110.1I268 N492 C496I268-L494 HydrophobicContact CD1-CD2 4.41Å; I268-L494 HydrophobicContact CG2-CD2 4.32Å; N492-L494 PolarHBondContact O-N 2.96Å; L494-C496 HydrophobicContact CD2-CB 3.74Å; L494-C496 HydrophobicContact CG-CB 3.97Å; L494-C496 PolarHBondContact O-N 3.09Å
495E30Very low50.2Low189 Ų18995.3 Ų95.388%0.88351%0.512SS*.  trans-72.667.6155.9-78.9-170155.200109.1G493G493-E495 PolarHBondContact O-N 2.66Å
496C37.3Very low52.9Low45 Ų4592 Ų9230%0.30450%0.495SS..  trans-114.449.6174.9-71.80000111.7L494 E498L494-C496 HydrophobicContact CD2-CB 3.74Å; L494-C496 HydrophobicContact CG-CB 3.97Å; L494-C496 PolarHBondContact O-N 3.09Å; C496-E498 VanDerWaalsContact C-N 3.32Å
497F42.9Very low56.1Low165 Ų16584.9 Ų84.972%0.72446%0.46SS*.  trans-101.260.7162.6-68.8-77.6000109
498E49.8Very low59Low69 Ų6980.7 Ų80.732%0.32244%0.44SS..  trans-81.5136.7177.9-67.8178135.500110.2R271 C496 S500R271-E498 IonicContact CZ-OE2 2.74Å; R271-E498 IonicContact NE-OE2 2.7Å; R271-E498 IonicContact NH2-OE2 2.64Å; R271-E498 PolarHBondContact NH2-OE2 3.1Å; R271-E498 VanDerWaalsContact NH2-OE2 3.13Å; C496-E498 VanDerWaalsContact C-N 3.32Å; E498-S500 PolarHBondContact O-N 3.48Å
499K55.4Low62Low173 Ų17373.2 Ų73.275%0.75241%0.412SS*.  trans-10.2116.7174.9-64.3172.4-178172.10114.9P276 G501P276-K499 HydrophobicContact CB-CB 4.34Å; P276-K499 WeakPolarHBondContact CB-O 3.33Å; K499-G501 PolarHBondContact O-N 3.26Å
500S67Low65Low25 Ų2573.2 Ų73.218%0.17541%0.409CS..  trans-53.5126.4166.755.20000109.7Q470 F475 E498Q470-S500 PolarHBondContact NE2-O 3.47Å; F475-S500 WeakPolarHBondContact CZ-OG 3.4Å; E498-S500 PolarHBondContact O-N 3.48Å
501G86.4Confident68.2Low8 Ų867.7 Ų67.78%0.08238%0.377CS..  trans-140.8152.6177.800000110.8M277 F279 K499M277-G501 CarbonylContact C-O 3.54Å; M277-G501 VanDerWaalsContact C-O 3.31Å; M277-G501 CarbonylContact O-C 3.27Å; M277-G501 WeakPolarHBondContact O-CA 3.33Å; F279-G501 PolarHBondContact N-O 2.6Å; K499-G501 PolarHBondContact O-N 3.26Å
502H94.3Very high71Confident18 Ų1865.7 Ų65.78%0.08335%0.351CS..EExtended strand (participates in β ladder)trans-125.5141.9179-6384.2000108.2F279 I281 E295 V469 T504F279-H502 CarbonylContact O-C 3.25Å; F279-H502 VanDerWaalsContact O-CA 3.26Å; F279-H502 WeakPolarHBondContact O-CA 3.41Å; I281-H502 HydrophobicContact CB-CB 4.23Å; I281-H502 HydrophobicContact CD1-CB 4.17Å; I281-H502 HydrophobicContact CG1-CB 4.3Å; E295-H502 IonicContact OE1-NE2 2.89Å; E295-H502 IonicContact OE2-CD2 2.74Å; E295-H502 IonicContact OE2-CE1 3.5Å; E295-H502 IonicContact OE2-NE2 3.24Å; E295-H502 PolarHBondContact OE2-NE2 2.81Å; V469-H502 WeakPolarHBondContact CG1-NE2 3.45Å; H502-T504 PolarHBondContact O-N 2.73Å; H502-T504 VanDerWaalsContact O-N 3.16Å
503C95.1Very high74Confident9 Ų959 Ų596%0.06132%0.316CS..EExtended strand (participates in β ladder)trans-71.3110.61741800000109.5A278 F279 I281 M428A278-C503 HydrophobicContact CB-CB 4.07Å; A278-C503 WeakPolarHBondContact O-CB 3.26Å; F279-C503 PolarHBondContact O-N 3.4Å; I281-C503 WeakPolarHBondContact CB-O 3.45Å; I281-C503 VanDerWaalsContact CG2-O 3.22Å; I281-C503 WeakPolarHBondContact CG2-O 3.43Å; I281-C503 PolarHBondContact N-O 2.78Å; M428-C503 WeakPolarHBondContact CE-SG 3.04Å
504T95.4Very high76.8Confident25 Ų2563 Ų6315%0.15331%0.313CS..  trans-108.722.7174.657.90000111.9I281 V466 H502 C506 L507 T508I281-T504 HydrophobicContact CD1-CG2 3.8Å; I281-T504 HydrophobicContact CG2-CG2 4.48Å; V466-T504 HydrophobicContact CG2-CG2 3.85Å; H502-T504 PolarHBondContact O-N 2.73Å; H502-T504 VanDerWaalsContact O-N 3.16Å; T504-C506 VanDerWaalsContact C-N 3.31Å; T504-C506 PolarHBondContact O-N 3.29Å; T504-L507 WeakPolarHBondContact O-CB 2.81Å; T504-L507 PolarHBondContact O-N 3.02Å; T504-T508 PolarHBondContact O-N 3.37Å; T504-T508 PolarHBondContact O-OG1 3.07Å; T504-T508 PolarHBondContact OG1-OG1 3.17Å
505A94.9Very high79.2Confident0 Ų059.2 Ų59.20%029%0.294CS..Hα-helixtrans-56.9-43.2-172.100000112.4M428 L507 T508 G509 K510 Y511M428-A505 HydrophobicContact CE-CB 3.88Å; A505-L507 PolarHBondContact O-N 3.32Å; A505-L507 VanDerWaalsContact O-N 3.1Å; A505-T508 PolarHBondContact O-N 3.16Å; A505-G509 VanDerWaalsContact O-CA 3.32Å; A505-G509 WeakPolarHBondContact O-CA 3.46Å; A505-G509 PolarHBondContact O-N 3.41Å; A505-K510 WeakPolarHBondContact CA-O 3.15Å; A505-Y511 HydrophobicContact CB-CD1 3.49Å; A505-Y511 VanDerWaalsContact CB-CD1 3.49Å; A505-Y511 HydrophobicContact CB-CD2 4.46Å; A505-Y511 HydrophobicContact CB-CE1 3.67Å; A505-Y511 HydrophobicContact CB-CG 3.92Å
506C94.3Very high81.2Confident3 Ų354.1 Ų54.12%0.0227%0.27CS..Hα-helixtrans-65.5-18.8-179.6-33.40000113.2F282 I422 K423 Y424 I432 T504F282-C506 HydrophobicContact CE2-CB 3.69Å; F282-C506 HydrophobicContact CZ-CB 4.21Å; I422-C506 HydrophobicContact CG2-CB 4.12Å; K423-C506 PolarHBondContact N-O 3.28Å; Y424-C506 PolarHBondContact N-O 3.41Å; Y424-C506 WeakPolarHBondContact O-CA 3.26Å; I432-C506 HydrophobicContact CD1-CB 3.44Å; I432-C506 VanDerWaalsContact CD1-CB 3.44Å; I432-C506 WeakPolarHBondContact CD1-SG 3.31Å; T504-C506 VanDerWaalsContact C-N 3.31Å; T504-C506 PolarHBondContact O-N 3.29Å
507L95.6Very high82.1Confident9 Ų965.3 Ų65.35%0.04731%0.306CS..Hα-helixtrans-98.3-37.3-179.1-50.2177000111.8I281 F282 P420 I422 V462 L465 T504 A505I281-L507 HydrophobicContact CG2-CD1 4.31Å; F282-L507 HydrophobicContact CE2-CD2 4.1Å; F282-L507 HydrophobicContact CE2-CG 4.26Å; F282-L507 HydrophobicContact CZ-CD2 3.73Å; F282-L507 HydrophobicContact CZ-CG 4.38Å; P420-L507 HydrophobicContact CB-CD1 4.32Å; P420-L507 HydrophobicContact CB-CD2 4.2Å; P420-L507 HydrophobicContact CG-CD1 3.94Å; I422-L507 HydrophobicContact CG1-CD2 4.39Å; V462-L507 HydrophobicContact CG2-CB 4.36Å; L465-L507 HydrophobicContact CD2-CD1 3.85Å; T504-L507 WeakPolarHBondContact O-CB 2.81Å; T504-L507 PolarHBondContact O-N 3.02Å; A505-L507 PolarHBondContact O-N 3.32Å; A505-L507 VanDerWaalsContact O-N 3.1Å
508T95.3Very high84.1Confident42 Ų4260.4 Ų60.426%0.25829%0.285SS..Hα-helixtrans-115.8-15.1-166.8610000114.6Y424 V462 T504 A505 K510Y424-T508 VanDerWaalsContact CE2-C 3.43Å; V462-T508 HydrophobicContact CG1-CG2 3.92Å; V462-T508 HydrophobicContact CG2-CG2 4.46Å; T504-T508 PolarHBondContact O-N 3.37Å; T504-T508 PolarHBondContact O-OG1 3.07Å; T504-T508 PolarHBondContact OG1-OG1 3.17Å; A505-T508 PolarHBondContact O-N 3.16Å; T508-K510 PolarHBondContact O-N 3.34Å; T508-K510 PolarHBondContact OG1-N 3.49Å
509G93.5Very high85.9Confident24 Ų2459.9 Ų59.925%0.24728%0.283CS..SBendtrans74.82.2-174.200000114.3Y424 A505 Y511Y424-G509 VanDerWaalsContact CD2-CA 3.5Å; A505-G509 VanDerWaalsContact O-CA 3.32Å; A505-G509 WeakPolarHBondContact O-CA 3.46Å; A505-G509 PolarHBondContact O-N 3.41Å; G509-Y511 WeakPolarHBondContact O-CD2 3.38Å; G509-Y511 PolarHBondContact O-N 3.32Å
510K93Very high87.6Confident165 Ų16553.6 Ų53.672%0.71726%0.257SS*.  trans-92.199.1177.9-63.1-178.6-178.4178.30109.6A505 T508A505-K510 WeakPolarHBondContact CA-O 3.15Å; T508-K510 PolarHBondContact O-N 3.34Å; T508-K510 PolarHBondContact OG1-N 3.49Å
511Y92.4Very high88.8Confident48 Ų4855.3 Ų55.319%0.18826%0.262CS..  trans-80.4146.5175.4-64.4-92.6000110.4P425 F427 M428 A505 G509 V513 L515P425-Y511 PolarHBondContact O-OH 3.36Å; F427-Y511 AromaticContact CD2-CE1 3.79Å; F427-Y511 HydrophobicContact CD2-CE1 3.79Å; F427-Y511 AromaticContact CD2-CZ 3.98Å; F427-Y511 HydrophobicContact CE2-CE1 4.32Å; M428-Y511 HydrophobicContact CE-CD1 3.75Å; M428-Y511 HydrophobicContact CE-CE1 4.15Å; A505-Y511 HydrophobicContact CB-CD1 3.49Å; A505-Y511 VanDerWaalsContact CB-CD1 3.49Å; A505-Y511 HydrophobicContact CB-CD2 4.46Å; A505-Y511 HydrophobicContact CB-CE1 3.67Å; A505-Y511 HydrophobicContact CB-CG 3.92Å; G509-Y511 WeakPolarHBondContact O-CD2 3.38Å; G509-Y511 PolarHBondContact O-N 3.32Å; Y511-V513 WeakPolarHBondContact CB-O 3.37Å; Y511-V513 PolarHBondContact O-N 3.02Å; Y511-L515 HydrophobicContact CD1-CD1 3.83Å; Y511-L515 HydrophobicContact CD1-CD2 4.07Å; Y511-L515 HydrophobicContact CD1-CG 4.25Å; Y511-L515 HydrophobicContact CD2-CD1 3.62Å; Y511-L515 HydrophobicContact CD2-CG 4.28Å; Y511-L515 HydrophobicContact CE1-CD1 3.85Å; Y511-L515 HydrophobicContact CE2-CD1 3.63Å; Y511-L515 HydrophobicContact CG-CD1 3.72Å; Y511-L515 HydrophobicContact CG-CD2 4.26Å; Y511-L515 HydrophobicContact CG-CG 4.03Å
512P90.1Very high89Confident28 Ų2858.3 Ų58.318%0.18227%0.273CS..SBendtrans-70-16179.529.1-35.2000113Y201 A278 M428Y201-P512 HydrophobicContact CD1-CB 3.86Å; Y201-P512 HydrophobicContact CE1-CB 3.97Å; Y201-P512 HydrophobicContact CG-CB 4.48Å; Y201-P512 PolarHBondContact OH-O 3.38Å; A278-P512 HydrophobicContact CB-CB 3.63Å; A278-P512 HydrophobicContact CB-CG 3.99Å; M428-P512 HydrophobicContact SD-CG 3.76Å
513V89.1Confident88.6Confident17 Ų1760.9 Ų60.910%0.10329%0.285CS..SBendtrans-135.1157.6180-63.40000109.5V126 P181 T182 Y201 Y511V126-V513 HydrophobicContact CB-CG2 4.43Å; V126-V513 HydrophobicContact CG1-CG2 4.09Å; V126-V513 HydrophobicContact CG2-CG2 3.97Å; P181-V513 HydrophobicContact CB-CG1 4.08Å; P181-V513 HydrophobicContact CG-CG1 4.25Å; T182-V513 HydrophobicContact CG2-CB 4.39Å; T182-V513 HydrophobicContact CG2-CG1 3.81Å; T182-V513 HydrophobicContact CG2-CG2 3.62Å; Y201-V513 HydrophobicContact CD2-CG1 4.15Å; Y201-V513 HydrophobicContact CE2-CG1 3.52Å; Y511-V513 WeakPolarHBondContact CB-O 3.37Å; Y511-V513 PolarHBondContact O-N 3.02Å
514E86.8Confident88.2Confident164 Ų16464.6 Ų64.677%0.76630%0.301SS*.  trans-66.3132.2169.7-167.9174.9-17400109.6
515L84.9Confident87.6Confident18 Ų1867.7 Ų67.79%0.09431%0.313CS..  trans-88.7135.3176.9-60.8177.4000109.1V126 F427 Y511 W517V126-L515 HydrophobicContact CB-CD2 4.28Å; V126-L515 HydrophobicContact CG1-CD2 4.15Å; F427-L515 HydrophobicContact CB-CD2 4.26Å; F427-L515 HydrophobicContact CD2-CD1 3.48Å; F427-L515 VanDerWaalsContact CD2-CD1 3.48Å; F427-L515 HydrophobicContact CD2-CD2 4.15Å; F427-L515 HydrophobicContact CD2-CG 4.45Å; F427-L515 HydrophobicContact CE2-CD1 3.68Å; F427-L515 HydrophobicContact CG-CD1 4.49Å; Y511-L515 HydrophobicContact CD1-CD1 3.83Å; Y511-L515 HydrophobicContact CD1-CD2 4.07Å; Y511-L515 HydrophobicContact CD1-CG 4.25Å; Y511-L515 HydrophobicContact CD2-CD1 3.62Å; Y511-L515 HydrophobicContact CD2-CG 4.28Å; Y511-L515 HydrophobicContact CE1-CD1 3.85Å; Y511-L515 HydrophobicContact CE2-CD1 3.63Å; Y511-L515 HydrophobicContact CG-CD1 3.72Å; Y511-L515 HydrophobicContact CG-CD2 4.26Å; Y511-L515 HydrophobicContact CG-CG 4.03Å; L515-W517 HydrophobicContact CB-CZ3 4.42Å; L515-W517 PolarHBondContact O-N 3.08Å
516E71.6Confident87Confident82 Ų8273.3 Ų73.338%0.38334%0.339SS..  trans-83.6112.7171.6-65.6-174.9169.500108.4N127 R130N127-E516 HydrophobicContact CB-CG 4.31Å; N127-E516 WeakPolarHBondContact CB-OE2 3.25Å; R130-E516 WeakPolarHBondContact CB-OE2 3.34Å; R130-E516 WeakPolarHBondContact CD-OE1 3.22Å; R130-E516 IonicContact CZ-OE1 2.74Å; R130-E516 IonicContact NE-OE1 3.7Å; R130-E516 PolarHBondContact NE-OE1 2.86Å; R130-E516 IonicContact NH1-OE1 3.69Å; R130-E516 PolarHBondContact NH1-OE1 2.95Å
517W57.3Low86.3Confident280 Ų28079.7 Ų79.7100%1.06137%0.368SS*.  trans-75.20-177.4-18.886.9000113.4L515L515-W517 HydrophobicContact CB-CZ3 4.42Å; L515-W517 PolarHBondContact O-N 3.08Å

Retrieved 517 of 517 residues in 3705.9 ms (Link to these results)

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