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Pyruvate formate-lyase-activating enzyme

Activation of pyruvate formate-lyase under anaerobic conditions by generation of an organic free radical, using S-adenosylmethionine and reduced flavodoxin as cosubstrates to produce 5'-deoxy-adenosine.

AlphaFold DB , UniProt , Accession Q2G1D7, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene pflA, Length 251 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
1M72.8Confident94.2Very high181 Ų18162 Ų6289%0.89232%0.322SS*.  0137.50-169.1174.5-90.100107.1K3 T52M1-K3 PolarHBondContact O-N 2.92Å; M1-T52 HydrophobicContact CG-CG2 4.25Å; M1-T52 HydrophobicContact SD-CG2 3.4Å; M1-T52 WeakPolarHBondContact SD-CG2 3.39Å
2L90.8Very high94.1Very high77 Ų7761.5 Ų61.540%0.40332%0.319SS..  trans-66.5129.1177.3-179.268.4000108.8P86 F87 K90L2-P86 HydrophobicContact CD1-CB 4.42Å; L2-P86 HydrophobicContact CD2-CB 3.78Å; L2-P86 WeakPolarHBondContact CD2-O 3.34Å; L2-F87 HydrophobicContact CD2-CB 4.25Å; L2-F87 HydrophobicContact CG-CB 4.43Å; L2-K90 HydrophobicContact CD2-CD 4.15Å
3K95.9Very high94.2Very high96 Ų9656.9 Ų56.942%0.41730%0.296SS..  trans-110.4143.6179-60.1-164.2-170.4-179.70110.7M1 E50 V51M1-K3 PolarHBondContact O-N 2.92Å; K3-E50 HydrophobicContact CD-CB 3.81Å; K3-E50 HydrophobicContact CD-CG 4.41Å; K3-E50 IonicContact NZ-OE2 3.89Å; K3-E50 PolarHBondContact NZ-OE2 3.14Å; K3-V51 CarbonylContact C-O 3.47Å; K3-V51 VanDerWaalsContact CA-O 3.22Å; K3-V51 WeakPolarHBondContact CA-O 3.4Å
4G97.6Very high94.1Very high0 Ų059.7 Ų59.70%032%0.317CS..EExtended strand (participates in β ladder)trans-85.5143.3163.200000110.1E50 V51 F87G4-E50 WeakPolarHBondContact O-CA 3.32Å; G4-V51 PolarHBondContact N-O 3.19Å; G4-V51 PolarHBondContact O-N 3.02Å; G4-F87 VanDerWaalsContact CA-CG 3.49Å
5H98.1Very high93.8Very high57 Ų5761.9 Ų61.926%0.26433%0.334SS..EExtended strand (participates in β ladder)trans-108.5107.4178.9-73.5-171.1000107.9Q27 P47 E50 Q84H5-Q27 HydrophobicContact CB-CB 4.25Å; H5-Q27 PolarHBondContact O-N 3.28Å; H5-P47 HydrophobicContact CB-CB 3.79Å; H5-P47 HydrophobicContact CB-CG 4.15Å; H5-E50 IonicContact NE2-OE1 3.61Å; H5-Q84 PolarHBondContact O-NE2 3.43Å; H5-Q84 PolarHBondContact O-OE1 3.5Å
6L97.8Very high93.6Very high1 Ų159.3 Ų59.31%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-109.8145.7-177.2-56.1-176.7000111V9 L24 F25 T26 S48 R49 V51 M56L6-V9 HydrophobicContact CD1-CG1 4.11Å; L6-L24 HydrophobicContact CD1-CD2 4.14Å; L6-L24 HydrophobicContact CD2-CB 4.26Å; L6-L24 HydrophobicContact CD2-CD2 4.46Å; L6-F25 CarbonylContact C-O 3.56Å; L6-F25 WeakPolarHBondContact CA-O 3.4Å; L6-T26 HydrophobicContact CD2-CG2 4.12Å; L6-S48 PolarHBondContact O-N 3.31Å; L6-S48 VanDerWaalsContact O-N 3.13Å; L6-R49 HydrophobicContact CB-CB 4.38Å; L6-R49 PolarHBondContact N-O 2.77Å; L6-R49 PolarHBondContact O-N 3.12Å; L6-V51 HydrophobicContact CD1-CG1 4.18Å; L6-V51 HydrophobicContact CD1-CG2 3.76Å; L6-V51 HydrophobicContact CG-CG2 3.98Å; L6-M56 HydrophobicContact CD1-SD 3.8Å
7H97.5Very high93.7Very high34 Ų3456.4 Ų56.416%0.15731%0.306CS..EExtended strand (participates in β ladder)trans-81.1-52.1163.9171.6-89000110F25 D40 T41 S48H7-F25 HydrophobicContact CB-CB 4.37Å; H7-F25 PolarHBondContact N-O 2.95Å; H7-D40 IonicContact CE1-OD2 3.64Å; H7-D40 IonicContact NE2-OD1 3.62Å; H7-D40 IonicContact NE2-OD2 2.58Å; H7-D40 PolarHBondContact NE2-OD2 3.24Å; H7-T41 HydrophobicContact CB-CG2 3.89Å; H7-S48 VanDerWaalsContact O-CB 3.27Å; H7-S48 WeakPolarHBondContact O-CB 3.45Å
8S96.8Very high93.8Very high42 Ų4255 Ų5529%0.29430%0.301SS..EExtended strand (participates in β ladder)trans-160.9175.1-176.957.80000111.3F25S8-F25 PolarHBondContact N-O 3.29Å; S8-F25 PolarHBondContact O-N 3.44Å; S8-F25 WeakPolarHBondContact OG-CD2 3.45Å
9V97.2Very high93.9Very high49 Ų4953.7 Ų53.730%0.29730%0.301SS..EExtended strand (participates in β ladder)trans-129.2148.1168.9-62.90000108.7L6 Y22 I23 L24L6-V9 HydrophobicContact CD1-CG1 4.11Å; V9-Y22 HydrophobicContact CB-CE1 3.82Å; V9-Y22 HydrophobicContact CG1-CE1 3.99Å; V9-Y22 HydrophobicContact CG2-CE1 4.44Å; V9-Y22 WeakPolarHBondContact CG2-OH 3.34Å; V9-I23 CarbonylContact C-O 3.54Å; V9-I23 VanDerWaalsContact CA-O 3.27Å; V9-I23 WeakPolarHBondContact CA-O 3.26Å; V9-L24 HydrophobicContact CG1-CG 4.44Å
10E96.6Very high94.1Very high88 Ų8853.6 Ų53.641%0.41130%0.299SS..EExtended strand (participates in β ladder)trans-126120.8169.5-179.3177.5146.900108.6G13 I23 F25E10-G13 WeakPolarHBondContact OE1-CA 3.38Å; E10-I23 HydrophobicContact CB-CB 4.39Å; E10-I23 HydrophobicContact CB-CD1 4.45Å; E10-I23 PolarHBondContact N-O 2.95Å; E10-I23 PolarHBondContact O-N 3.22Å; E10-F25 HydrophobicContact CB-CE2 3.72Å; E10-F25 HydrophobicContact CB-CZ 4.46Å
11S94.9Very high94.3Very high57 Ų5751 Ų5140%0.39929%0.285SS..EExtended strand (participates in β ladder)trans-85.4135.9174.754.80000110.2G13S11-G13 PolarHBondContact O-N 2.88Å
12L93.6Very high95.6Very high56 Ų5642.8 Ų42.829%0.29324%0.244SC..EExtended strand (participates in β ladder)trans6334.6174.8-51.1175.7000114.9L20 R21 Y63 Y66L12-L20 HydrophobicContact CD2-CB 4.2Å; L12-L20 HydrophobicContact CD2-CD1 4.37Å; L12-R21 CarbonylContact C-O 3.48Å; L12-R21 VanDerWaalsContact CA-O 3.32Å; L12-R21 WeakPolarHBondContact CA-O 3.18Å; L12-R21 PolarHBondContact N-O 2.93Å; L12-Y63 HydrophobicContact CD2-CD1 4.11Å; L12-Y63 HydrophobicContact CG-CD1 4.26Å; L12-Y66 HydrophobicContact CD2-CD1 4.33Å; L12-Y66 HydrophobicContact CD2-CD2 4.06Å; L12-Y66 HydrophobicContact CD2-CG 3.76Å
13G95.1Very high95.9Very high2 Ų239.1 Ų39.12%0.02123%0.225CC..EExtended strand (participates in β ladder)trans-63.5152.4171.400000112.2E10 S11 R21E10-G13 WeakPolarHBondContact OE1-CA 3.38Å; S11-G13 PolarHBondContact O-N 2.88Å; G13-R21 PolarHBondContact N-O 2.7Å; G13-R21 PolarHBondContact O-N 2.72Å
14T92.5Very high96Very high96 Ų9634.6 Ų34.659%0.58921%0.205SC*.SBendtrans-121-7.1-168.649.70000114.4L20T14-L20 HydrophobicContact CG2-CD2 3.63Å
15V89Confident96.1Very high93 Ų9335.7 Ų35.756%0.56421%0.21SC*.SBendtrans-117.5-4.2-169.7-61.90000114.3R171V15-R171 PolarHBondContact O-NH2 3.16Å
16D91.8Very high96.1Very high20 Ų2033 Ų3311%0.10720%0.198CC..SBendtrans-110.844.2-175-59.8-61.6000112.1R21 I23 T75 R171D16-R21 WeakPolarHBondContact O-CD 3.39Å; D16-I23 HydrophobicContact CB-CD1 3.84Å; D16-I23 HydrophobicContact CB-CG1 4.17Å; D16-I23 WeakPolarHBondContact OD2-CD1 3.5Å; D16-T75 HydrophobicContact CB-CG2 4.17Å; D16-T75 WeakPolarHBondContact O-CB 3.43Å; D16-T75 WeakPolarHBondContact O-CG2 3.43Å; D16-T75 PolarHBondContact O-OG1 3.45Å; D16-R171 IonicContact OD1-NH1 2.79Å; D16-R171 PolarHBondContact OD1-NH1 3.01Å; D16-R171 IonicContact OD1-NH2 2.62Å
17G94.6Very high96.1Very high9 Ų933.1 Ų33.19%0.09320%0.198CC..SBendtrans128.1-170.1177.300000112.7
18P95.3Very high96.1Very high32 Ų3231.5 Ų31.521%0.20819%0.191CC..SBendtrans-73.4142.7-178.228.8-33.4000111.9R21 G72 L130 W169P18-R21 VanDerWaalsContact O-CD 3.29Å; P18-R21 WeakPolarHBondContact O-CD 3.29Å; P18-R21 VanDerWaalsContact O-CG 3.29Å; P18-R21 WeakPolarHBondContact O-CG 3.29Å; P18-R21 PolarHBondContact O-NH1 2.71Å; P18-G72 WeakPolarHBondContact O-CA 3.43Å; P18-L130 HydrophobicContact CG-CD2 4.16Å; P18-W169 HydrophobicContact CB-CH2 4.11Å
19G96.9Very high96.2Very high30 Ų3030 Ų3031%0.30918%0.18SC..SBendtrans66.7-160.2173.500000114.2S70G19-S70 WeakPolarHBondContact CA-O 3.41Å
20L97.6Very high96.2Very high51 Ų5130.9 Ų30.927%0.26718%0.183SC..SBendtrans-83.9128.6172.5-64.4174.5000109.7L12 T14 F67 S70 G72 G73L12-L20 HydrophobicContact CD2-CB 4.2Å; L12-L20 HydrophobicContact CD2-CD1 4.37Å; T14-L20 HydrophobicContact CG2-CD2 3.63Å; L20-F67 WeakPolarHBondContact O-CD1 3.49Å; L20-S70 WeakPolarHBondContact CB-OG 3.47Å; L20-S70 PolarHBondContact N-OG 3.41Å; L20-G72 WeakPolarHBondContact O-CA 3.04Å; L20-G73 PolarHBondContact O-N 3.39Å; L20-G73 VanDerWaalsContact O-N 3.12Å
21R98.5Very high96.2Very high1 Ų126.8 Ų26.80%0.00416%0.164CC..EExtended strand (participates in β ladder)trans-125.2145.1-173.6-49.7-166.77376.23.4113L12 G13 D16 P18 I23 G72 G73 V74 T75 H101 C103L12-R21 CarbonylContact C-O 3.48Å; L12-R21 VanDerWaalsContact CA-O 3.32Å; L12-R21 WeakPolarHBondContact CA-O 3.18Å; L12-R21 PolarHBondContact N-O 2.93Å; G13-R21 PolarHBondContact N-O 2.7Å; G13-R21 PolarHBondContact O-N 2.72Å; D16-R21 WeakPolarHBondContact O-CD 3.39Å; P18-R21 VanDerWaalsContact O-CD 3.29Å; P18-R21 WeakPolarHBondContact O-CD 3.29Å; P18-R21 VanDerWaalsContact O-CG 3.29Å; P18-R21 WeakPolarHBondContact O-CG 3.29Å; P18-R21 PolarHBondContact O-NH1 2.71Å; R21-I23 HydrophobicContact CB-CG1 4.29Å; R21-G72 VanDerWaalsContact NH1-C 3.34Å; R21-G73 CarbonylContact C-O 3.45Å; R21-G73 WeakPolarHBondContact CA-O 3.25Å; R21-V74 PolarHBondContact NH2-O 3.47Å; R21-T75 VanDerWaalsContact CD-OG1 3.24Å; R21-T75 WeakPolarHBondContact CD-OG1 3Å; R21-T75 PolarHBondContact NE-OG1 2.95Å; R21-H101 PolarHBondContact NH2-ND1 3.48Å; R21-H101 PolarHBondContact NH2-O 3.43Å; R21-C103 VanDerWaalsContact NH2-CB 3.29Å
22Y98.5Very high96.3Very high8 Ų829 Ų293%0.03116%0.164CC..EExtended strand (participates in β ladder)trans-87.4115162.8-159.4-81.2000108.1V9 L24 E59 I60 Y63 G73 V74 T75V9-Y22 HydrophobicContact CB-CE1 3.82Å; V9-Y22 HydrophobicContact CG1-CE1 3.99Å; V9-Y22 HydrophobicContact CG2-CE1 4.44Å; V9-Y22 WeakPolarHBondContact CG2-OH 3.34Å; Y22-L24 HydrophobicContact CD1-CD1 3.78Å; Y22-L24 HydrophobicContact CD1-CG 4.5Å; Y22-L24 HydrophobicContact CE1-CD1 4.33Å; Y22-E59 VanDerWaalsContact OH-CD 3.32Å; Y22-E59 WeakPolarHBondContact OH-CG 3.23Å; Y22-E59 PolarHBondContact OH-OE1 3.02Å; Y22-I60 HydrophobicContact CD1-CD1 4.43Å; Y22-I60 HydrophobicContact CD1-CG1 3.73Å; Y22-I60 HydrophobicContact CE1-CG1 4.02Å; Y22-I60 HydrophobicContact CG-CG1 4.08Å; Y22-Y63 AromaticContact CD2-CD2 3.74Å; Y22-Y63 HydrophobicContact CD2-CD2 3.74Å; Y22-Y63 AromaticContact CD2-CE2 3.94Å; Y22-Y63 HydrophobicContact CD2-CE2 3.94Å; Y22-Y63 HydrophobicContact CD2-CG 4.07Å; Y22-Y63 AromaticContact CE2-CD2 3.78Å; Y22-Y63 HydrophobicContact CE2-CD2 3.78Å; Y22-Y63 AromaticContact CE2-CE2 3.5Å; Y22-Y63 HydrophobicContact CE2-CE2 3.5Å; Y22-Y63 VanDerWaalsContact CE2-CE2 3.5Å; Y22-Y63 HydrophobicContact CE2-CG 4.46Å; Y22-Y63 AromaticContact CE2-CZ 3.96Å; Y22-G73 PolarHBondContact N-O 3.14Å; Y22-V74 WeakPolarHBondContact O-CA 3.39Å; Y22-T75 PolarHBondContact O-N 2.94Å
23I98.4Very high96.5Very high0 Ų026.8 Ų26.80%015%0.153CC..EExtended strand (participates in β ladder)trans-104.2123-172.3-51.8158.5000109V9 E10 D16 R21 F25 T75V9-I23 CarbonylContact C-O 3.54Å; V9-I23 VanDerWaalsContact CA-O 3.27Å; V9-I23 WeakPolarHBondContact CA-O 3.26Å; E10-I23 HydrophobicContact CB-CB 4.39Å; E10-I23 HydrophobicContact CB-CD1 4.45Å; E10-I23 PolarHBondContact N-O 2.95Å; E10-I23 PolarHBondContact O-N 3.22Å; D16-I23 HydrophobicContact CB-CD1 3.84Å; D16-I23 HydrophobicContact CB-CG1 4.17Å; D16-I23 WeakPolarHBondContact OD2-CD1 3.5Å; R21-I23 HydrophobicContact CB-CG1 4.29Å; I23-F25 HydrophobicContact CB-CE2 4.01Å; I23-F25 HydrophobicContact CB-CZ 4.17Å; I23-F25 HydrophobicContact CG2-CD1 4.36Å; I23-F25 HydrophobicContact CG2-CD2 4.17Å; I23-F25 HydrophobicContact CG2-CE1 3.91Å; I23-F25 HydrophobicContact CG2-CE2 3.69Å; I23-F25 HydrophobicContact CG2-CZ 3.55Å; I23-T75 CarbonylContact C-O 3.57Å; I23-T75 VanDerWaalsContact CA-O 3.29Å; I23-T75 WeakPolarHBondContact CA-O 3.3Å
24L98.4Very high96.6Very high0 Ų027.5 Ų27.50%016%0.156CC..EExtended strand (participates in β ladder)trans-100.4114.5173.4-68.679.7000108L6 V9 Y22 T26 M56 I60 V74 T75 V76 S77 L91L6-L24 HydrophobicContact CD1-CD2 4.14Å; L6-L24 HydrophobicContact CD2-CB 4.26Å; L6-L24 HydrophobicContact CD2-CD2 4.46Å; V9-L24 HydrophobicContact CG1-CG 4.44Å; Y22-L24 HydrophobicContact CD1-CD1 3.78Å; Y22-L24 HydrophobicContact CD1-CG 4.5Å; Y22-L24 HydrophobicContact CE1-CD1 4.33Å; L24-T26 PolarHBondContact O-N 3.2Å; L24-M56 HydrophobicContact CD2-CG 4.16Å; L24-M56 HydrophobicContact CD2-SD 4.21Å; L24-I60 HydrophobicContact CD1-CD1 4.01Å; L24-V74 HydrophobicContact CD1-CG1 3.56Å; L24-T75 PolarHBondContact N-O 2.88Å; L24-V76 HydrophobicContact CB-CG1 4.46Å; L24-V76 HydrophobicContact CB-CG2 4.35Å; L24-S77 CarbonylContact O-C 3.6Å; L24-S77 PolarHBondContact O-N 3.04Å; L24-L91 HydrophobicContact CD2-CD2 3.83Å
25F98.1Very high96.8Very high24 Ų2423.4 Ų23.411%0.10513%0.13CC..EExtended strand (participates in β ladder)trans-89.7104.9174.3-60.8-87.2000108.7L6 H7 S8 E10 I23L6-F25 CarbonylContact C-O 3.56Å; L6-F25 WeakPolarHBondContact CA-O 3.4Å; H7-F25 HydrophobicContact CB-CB 4.37Å; H7-F25 PolarHBondContact N-O 2.95Å; S8-F25 PolarHBondContact N-O 3.29Å; S8-F25 PolarHBondContact O-N 3.44Å; S8-F25 WeakPolarHBondContact OG-CD2 3.45Å; E10-F25 HydrophobicContact CB-CE2 3.72Å; E10-F25 HydrophobicContact CB-CZ 4.46Å; I23-F25 HydrophobicContact CB-CE2 4.01Å; I23-F25 HydrophobicContact CB-CZ 4.17Å; I23-F25 HydrophobicContact CG2-CD1 4.36Å; I23-F25 HydrophobicContact CG2-CD2 4.17Å; I23-F25 HydrophobicContact CG2-CE1 3.91Å; I23-F25 HydrophobicContact CG2-CE2 3.69Å; I23-F25 HydrophobicContact CG2-CZ 3.55Å
26T98.2Very high97.2Very high0 Ų020.1 Ų20.10%011%0.11CC..EExtended strand (participates in β ladder)trans-68.6144.9176.457.40000111.8L6 L24 V76 S77 G79 P81L6-T26 HydrophobicContact CD2-CG2 4.12Å; L24-T26 PolarHBondContact O-N 3.2Å; T26-V76 HydrophobicContact CG2-CG1 3.44Å; T26-V76 VanDerWaalsContact CG2-CG1 3.44Å; T26-S77 PolarHBondContact N-O 3.01Å; T26-S77 PolarHBondContact OG1-O 3.2Å; T26-G79 PolarHBondContact O-N 3.19Å; T26-P81 HydrophobicContact CG2-CB 4.43Å; T26-P81 WeakPolarHBondContact OG1-CA 3.41Å
27Q98.2Very high97.2Very high4 Ų422.4 Ų22.42%0.01912%0.12CC..SBendtrans-81.9140.2170.7-170.771.327.400110.3H5 D40 T41 K43 P47 Q84H5-Q27 HydrophobicContact CB-CB 4.25Å; H5-Q27 PolarHBondContact O-N 3.28Å; Q27-D40 PolarHBondContact NE2-O 2.91Å; Q27-T41 PolarHBondContact NE2-O 3.38Å; Q27-K43 WeakPolarHBondContact CG-O 3.39Å; Q27-K43 PolarHBondContact NE2-O 2.89Å; Q27-P47 HydrophobicContact CB-CB 4.11Å; Q27-P47 HydrophobicContact CG-CB 4.24Å; Q27-Q84 PolarHBondContact O-NE2 3.14Å
28G97.9Very high97.2Very high0 Ų024.1 Ų24.10%013%0.127CC..  trans103.7130.6174.700000112.3T41 G79 E80G28-T41 CarbonylContact C-O 3.42Å; G28-T41 WeakPolarHBondContact CA-O 3.17Å; G28-T41 PolarHBondContact N-O 3.12Å; G28-G79 CarbonylContact O-C 3.4Å; G28-G79 WeakPolarHBondContact O-CA 3.48Å; G28-E80 PolarHBondContact O-N 3.12Å
29C98.2Very high97.2Very high11 Ų1122.8 Ų22.87%0.07412%0.118CC..  trans-146.9141.7170.1-168.90000109.8R32 W42 E80C29-R32 PolarHBondContact O-NH1 3.39Å; C29-W42 PolarHBondContact N-O 3.37Å; C29-E80 HydrophobicContact CB-CB 4.48Å
30L97.2Very high97.1Very high67 Ų6723.5 Ų23.535%0.35112%0.115SC..SBendtrans-91.4-15176.2-60.9-174.2000113.6I44 L83 C110 K149L30-I44 HydrophobicContact CD2-CD1 3.87Å; L30-L83 HydrophobicContact CD1-CD2 3.99Å; L30-L83 HydrophobicContact CG-CD1 4.22Å; L30-L83 HydrophobicContact CG-CD2 4.02Å; L30-C110 HydrophobicContact CD1-CB 3.68Å; L30-C110 HydrophobicContact CG-CB 4.46Å; L30-K149 WeakPolarHBondContact O-CE 3.43Å
31L98Very high97.1Very high1 Ų121.1 Ų21.11%0.00510%0.103CC..  trans-84156.9174.3-57.2-170.8000110.8S107 K136 K149L31-S107 WeakPolarHBondContact CD1-OG 3.46Å; L31-K136 HydrophobicContact CD1-CD 3.95Å; L31-K149 HydrophobicContact CD2-CB 3.66Å; L31-K149 HydrophobicContact CD2-CG 3.64Å
32R97.6Very high97Very high105 Ų10522.4 Ų22.440%0.39611%0.108SC..  trans-129.255.7175.4-63.2-65.7177.9-90.23.2109C29 L34 W42 T147C29-R32 PolarHBondContact O-NH1 3.39Å; R32-L34 PolarHBondContact O-N 2.88Å; R32-W42 HydrophobicContact CB-CH2 4.39Å; R32-W42 HydrophobicContact CB-CZ2 4.44Å; R32-W42 VanDerWaalsContact CD-CZ3 3.5Å; R32-T147 PolarHBondContact N-O 2.92Å
33C97.7Very high96.8Very high9 Ų927.3 Ų27.36%0.06113%0.129CC..  trans-55.6128.2-178.1-50.90000109.9Y35 C36 K136 L146C33-Y35 HydrophobicContact CB-CD2 4.42Å; C33-Y35 HydrophobicContact CB-CE1 4.32Å; C33-Y35 HydrophobicContact CB-CE2 4.22Å; C33-Y35 PolarHBondContact O-N 3Å; C33-Y35 VanDerWaalsContact O-N 3.13Å; C33-C36 HydrophobicContact CB-CB 4.22Å; C33-C36 VanDerWaalsContact O-CB 3.29Å; C33-C36 WeakPolarHBondContact O-CB 3.44Å; C33-C36 PolarHBondContact O-N 2.95Å; C33-K136 VanDerWaalsContact SG-CD 3.57Å; C33-L146 VanDerWaalsContact CA-O 3.3Å; C33-L146 WeakPolarHBondContact CA-O 3.45Å
34L96.7Very high96.6Very high16 Ų1631.3 Ų31.38%0.08415%0.15CC..THydrogen-bonded Turntrans-59.5-26.1179.9-60.7-175.8000112.6R32 L146 Y178 Y221 E222 L223R32-L34 PolarHBondContact O-N 2.88Å; L34-L146 HydrophobicContact CB-CD1 4.39Å; L34-L146 HydrophobicContact CD1-CD1 4.47Å; L34-L146 PolarHBondContact N-O 3.41Å; L34-Y178 HydrophobicContact CD1-CD1 4.38Å; L34-Y178 HydrophobicContact CD1-CE1 3.9Å; L34-Y221 WeakPolarHBondContact O-CE2 3.45Å; L34-E222 HydrophobicContact CD2-CB 4.33Å; L34-E222 HydrophobicContact CD2-CG 4.34Å; L34-E222 WeakPolarHBondContact CD2-OE1 3.31Å; L34-L223 HydrophobicContact CB-CD1 3.98Å; L34-L223 HydrophobicContact CB-CD2 4.21Å; L34-L223 HydrophobicContact CB-CG 4.04Å; L34-L223 HydrophobicContact CD1-CD2 4.44Å
35Y96.2Very high96.3Very high11 Ų1136.1 Ų36.14%0.04318%0.183CC..THydrogen-bonded Turntrans-99.712.7177.858.1-98.3000114C33 H37 K136 L146 V173 V175C33-Y35 HydrophobicContact CB-CD2 4.42Å; C33-Y35 HydrophobicContact CB-CE1 4.32Å; C33-Y35 HydrophobicContact CB-CE2 4.22Å; C33-Y35 PolarHBondContact O-N 3Å; C33-Y35 VanDerWaalsContact O-N 3.13Å; Y35-H37 PolarHBondContact O-CD2 2.83Å; Y35-H37 PolarHBondContact O-N 3.07Å; Y35-H37 VanDerWaalsContact O-N 3.09Å; Y35-K136 WeakPolarHBondContact OH-CB 3.41Å; Y35-K136 WeakPolarHBondContact OH-CD 3.33Å; Y35-K136 VanDerWaalsContact OH-CG 3.26Å; Y35-K136 WeakPolarHBondContact OH-CG 3.41Å; Y35-L146 HydrophobicContact CD1-CD1 3.84Å; Y35-L146 HydrophobicContact CD1-CG 4.35Å; Y35-L146 HydrophobicContact CE1-CD1 3.8Å; Y35-L146 HydrophobicContact CE1-CD2 3.9Å; Y35-L146 HydrophobicContact CE1-CG 3.8Å; Y35-V173 HydrophobicContact CD2-CB 4.43Å; Y35-V173 HydrophobicContact CD2-CG1 4.03Å; Y35-V173 HydrophobicContact CD2-CG2 4.39Å; Y35-V173 HydrophobicContact CE2-CB 3.85Å; Y35-V173 HydrophobicContact CE2-CG1 3.97Å; Y35-V173 HydrophobicContact CE2-CG2 3.65Å; Y35-V173 HydrophobicContact CG-CG1 4.41Å; Y35-V175 HydrophobicContact CD1-CG2 3.66Å; Y35-V175 HydrophobicContact CE1-CG2 4.11Å; Y35-V175 HydrophobicContact CG-CG2 4.09Å
36C96.6Very high96.1Very high23 Ų2340.1 Ų40.116%0.15520%0.203CC..  trans-56120.5-174.5-170.60000111.6C33 N38 W42 W214C33-C36 HydrophobicContact CB-CB 4.22Å; C33-C36 VanDerWaalsContact O-CB 3.29Å; C33-C36 WeakPolarHBondContact O-CB 3.44Å; C33-C36 PolarHBondContact O-N 2.95Å; C36-N38 PolarHBondContact O-N 2.65Å; C36-N38 VanDerWaalsContact SG-C 3.53Å; C36-W42 HydrophobicContact CB-CZ2 3.94Å; C36-W42 PolarHBondContact SG-NE1 2.96Å; C36-W42 VanDerWaalsContact SG-NE1 3.41Å; C36-W214 HydrophobicContact CB-CZ2 3.92Å; C36-W214 PolarHBondContact O-NE1 2.91Å
37H93Very high95.9Very high68 Ų6841.8 Ų41.832%0.31521%0.213SC..SBendtrans-72.4-19.6175.8-66170.9000112.8Y35 P39 H207 L209 K213Y35-H37 PolarHBondContact O-CD2 2.83Å; Y35-H37 PolarHBondContact O-N 3.07Å; Y35-H37 VanDerWaalsContact O-N 3.09Å; H37-P39 VanDerWaalsContact C-CD 3.48Å; H37-H207 PolarHBondContact NE2-O 3.48Å; H37-L209 PolarHBondContact CD2-O 3.1Å; H37-K213 WeakPolarHBondContact O-CD 3.35Å
38N93.6Very high95.7Very high46 Ų4645.9 Ų45.925%0.24624%0.242CC..  trans-130.159.6-174.5-61.1-50.7000111.9C36 D40 T41 K213C36-N38 PolarHBondContact O-N 2.65Å; C36-N38 VanDerWaalsContact SG-C 3.53Å; N38-D40 WeakPolarHBondContact CA-OD1 3.12Å; N38-D40 PolarHBondContact O-N 2.89Å; N38-T41 HydrophobicContact CB-CG2 3.69Å; N38-T41 WeakPolarHBondContact O-CB 3.08Å; N38-T41 PolarHBondContact O-N 3.28Å; N38-T41 PolarHBondContact O-OG1 2.96Å; N38-K213 PolarHBondContact OD1-NZ 2.62Å
39P95.4Very high95.7Very high3 Ų350 Ų502%0.01926%0.258CS..G310 helixtrans-63.6-20.9179.130.9-38.5000112.9H37 T41 W42 K213 W214 L217H37-P39 VanDerWaalsContact C-CD 3.48Å; P39-T41 PolarHBondContact O-N 2.98Å; P39-W42 HydrophobicContact CB-CD2 4.15Å; P39-W42 HydrophobicContact CB-CE3 4.33Å; P39-W42 HydrophobicContact CB-CH2 4.19Å; P39-W42 HydrophobicContact CB-CZ2 3.96Å; P39-W42 HydrophobicContact CB-CZ3 4.35Å; P39-W42 VanDerWaalsContact O-CB 3.32Å; P39-W42 WeakPolarHBondContact O-CB 3.46Å; P39-W42 PolarHBondContact O-N 3.4Å; P39-W42 VanDerWaalsContact O-N 3.11Å; P39-K213 HydrophobicContact CG-CB 3.79Å; P39-W214 HydrophobicContact CB-CD2 4.28Å; P39-W214 HydrophobicContact CB-CZ2 4.38Å; P39-W214 HydrophobicContact CG-CD2 4.18Å; P39-W214 HydrophobicContact CG-CG 4.02Å; P39-L217 HydrophobicContact CB-CD1 3.9Å; P39-L217 HydrophobicContact CG-CD1 3.87Å
40D95.2Very high95.6Very high46 Ų4654.1 Ų54.125%0.24628%0.276CS..G310 helixtrans-63.8-18.3171.247-4.8000113.6H7 Q27 N38 W42 K213 L217H7-D40 IonicContact CE1-OD2 3.64Å; H7-D40 IonicContact NE2-OD1 3.62Å; H7-D40 IonicContact NE2-OD2 2.58Å; H7-D40 PolarHBondContact NE2-OD2 3.24Å; Q27-D40 PolarHBondContact NE2-O 2.91Å; N38-D40 WeakPolarHBondContact CA-OD1 3.12Å; N38-D40 PolarHBondContact O-N 2.89Å; D40-W42 VanDerWaalsContact C-N 3.34Å; D40-K213 IonicContact OD1-NZ 3Å; D40-K213 PolarHBondContact OD1-NZ 2.86Å; D40-K213 VanDerWaalsContact OD1-NZ 3.08Å; D40-K213 VanDerWaalsContact OD2-CD 3.29Å; D40-K213 WeakPolarHBondContact OD2-CD 3.46Å; D40-K213 WeakPolarHBondContact OD2-CE 3.49Å; D40-K213 IonicContact OD2-NZ 3.98Å; D40-K213 PolarHBondContact OD2-NZ 2.9Å; D40-L217 HydrophobicContact CB-CD1 4.34Å
41T97Very high95.7Very high1 Ų150.9 Ų50.91%0.00626%0.259CS..G310 helixtrans-79-11.8171.966.60000113.4H7 Q27 G28 N38 P39 K43 G79H7-T41 HydrophobicContact CB-CG2 3.89Å; Q27-T41 PolarHBondContact NE2-O 3.38Å; G28-T41 CarbonylContact C-O 3.42Å; G28-T41 WeakPolarHBondContact CA-O 3.17Å; G28-T41 PolarHBondContact N-O 3.12Å; N38-T41 HydrophobicContact CB-CG2 3.69Å; N38-T41 WeakPolarHBondContact O-CB 3.08Å; N38-T41 PolarHBondContact O-N 3.28Å; N38-T41 PolarHBondContact O-OG1 2.96Å; P39-T41 PolarHBondContact O-N 2.98Å; T41-K43 PolarHBondContact O-N 3.27Å; T41-G79 WeakPolarHBondContact OG1-CA 3.43Å
42W96.8Very high95.7Very high27 Ų2751.7 Ų51.710%0.10226%0.264CS..  trans-65.6-33.9-167.7-70.9-6.8000114.7C29 R32 C36 P39 D40 I44 W214 I219C29-W42 PolarHBondContact N-O 3.37Å; R32-W42 HydrophobicContact CB-CH2 4.39Å; R32-W42 HydrophobicContact CB-CZ2 4.44Å; R32-W42 VanDerWaalsContact CD-CZ3 3.5Å; C36-W42 HydrophobicContact CB-CZ2 3.94Å; C36-W42 PolarHBondContact SG-NE1 2.96Å; C36-W42 VanDerWaalsContact SG-NE1 3.41Å; P39-W42 HydrophobicContact CB-CD2 4.15Å; P39-W42 HydrophobicContact CB-CE3 4.33Å; P39-W42 HydrophobicContact CB-CH2 4.19Å; P39-W42 HydrophobicContact CB-CZ2 3.96Å; P39-W42 HydrophobicContact CB-CZ3 4.35Å; P39-W42 VanDerWaalsContact O-CB 3.32Å; P39-W42 WeakPolarHBondContact O-CB 3.46Å; P39-W42 PolarHBondContact O-N 3.4Å; P39-W42 VanDerWaalsContact O-N 3.11Å; D40-W42 VanDerWaalsContact C-N 3.34Å; W42-I44 PolarHBondContact O-N 2.83Å; W42-W214 HydrophobicContact CH2-CE3 4.47Å; W42-W214 AromaticContact CH2-CH2 3.35Å; W42-W214 HydrophobicContact CH2-CH2 3.35Å; W42-W214 AromaticContact CH2-CZ2 3.97Å; W42-W214 HydrophobicContact CH2-CZ2 3.97Å; W42-W214 AromaticContact CH2-CZ3 3.64Å; W42-W214 HydrophobicContact CH2-CZ3 3.64Å; W42-W214 AromaticContact CZ2-CH2 3.73Å; W42-W214 HydrophobicContact CZ2-CH2 3.73Å; W42-W214 AromaticContact CZ2-CZ2 3.94Å; W42-W214 HydrophobicContact CZ2-CZ2 3.94Å; W42-W214 HydrophobicContact CZ2-CZ3 4.43Å; W42-W214 HydrophobicContact CZ3-CH2 4.49Å; W42-W214 HydrophobicContact CZ3-CZ3 4.42Å; W42-I219 HydrophobicContact CE3-CD1 4.27Å; W42-I219 HydrophobicContact CZ3-CD1 3.87Å
43K95.4Very high95.7Very high111 Ų11147.1 Ų47.148%0.48325%0.248SC..  trans-76.2110.4-176.3-67.5-170.3-178.5-176.50110.7Q27 T41 S45 E46Q27-K43 WeakPolarHBondContact CG-O 3.39Å; Q27-K43 PolarHBondContact NE2-O 2.89Å; T41-K43 PolarHBondContact O-N 3.27Å; K43-S45 VanDerWaalsContact C-N 3.31Å; K43-S45 PolarHBondContact O-N 3.48Å; K43-E46 HydrophobicContact CB-CB 4.25Å; K43-E46 HydrophobicContact CD-CB 4.41Å; K43-E46 HydrophobicContact CD-CG 4.25Å; K43-E46 VanDerWaalsContact CD-OE1 3.32Å; K43-E46 WeakPolarHBondContact CD-OE1 3.49Å; K43-E46 VanDerWaalsContact CD-OE2 3.23Å; K43-E46 WeakPolarHBondContact CD-OE2 3.49Å; K43-E46 IonicContact NZ-OE1 2.84Å; K43-E46 PolarHBondContact NZ-OE1 2.95Å; K43-E46 IonicContact NZ-OE2 2.78Å; K43-E46 PolarHBondContact NZ-OE2 3.5Å
44I94.1Very high95.7Very high85 Ų8550.7 Ų50.744%0.43627%0.266SS..THydrogen-bonded Turntrans-63.6-35.5-177.1-59.4172.8000112.5L30 W42 L83L30-I44 HydrophobicContact CD2-CD1 3.87Å; W42-I44 PolarHBondContact O-N 2.83Å; I44-L83 HydrophobicContact CD1-CD1 4.16Å; I44-L83 HydrophobicContact CG1-CD1 4.31Å
45S91.5Very high95.8Very high101 Ų10154.6 Ų54.671%0.70628%0.284SS*.THydrogen-bonded Turntrans-92.25.5-170.757.50000115K43 P47K43-S45 VanDerWaalsContact C-N 3.31Å; K43-S45 PolarHBondContact O-N 3.48Å; S45-P47 VanDerWaalsContact C-CD 3.46Å
46E93.2Very high95.8Very high108 Ų10854 Ų5451%0.50528%0.282SS..  trans-12863.6-176.5-67.5177.8-146.900110.7K43K43-E46 HydrophobicContact CB-CB 4.25Å; K43-E46 HydrophobicContact CD-CB 4.41Å; K43-E46 HydrophobicContact CD-CG 4.25Å; K43-E46 VanDerWaalsContact CD-OE1 3.32Å; K43-E46 WeakPolarHBondContact CD-OE1 3.49Å; K43-E46 VanDerWaalsContact CD-OE2 3.23Å; K43-E46 WeakPolarHBondContact CD-OE2 3.49Å; K43-E46 IonicContact NZ-OE1 2.84Å; K43-E46 PolarHBondContact NZ-OE1 2.95Å; K43-E46 IonicContact NZ-OE2 2.78Å; K43-E46 PolarHBondContact NZ-OE2 3.5Å
47P94.9Very high95.9Very high35 Ų3553.4 Ų53.423%0.22728%0.277CS..  trans-67141.9174.828.7-33.2000111.4H5 Q27 S45 R49 E50H5-P47 HydrophobicContact CB-CB 3.79Å; H5-P47 HydrophobicContact CB-CG 4.15Å; Q27-P47 HydrophobicContact CB-CB 4.11Å; Q27-P47 HydrophobicContact CG-CB 4.24Å; S45-P47 VanDerWaalsContact C-CD 3.46Å; P47-R49 VanDerWaalsContact C-N 3.25Å; P47-E50 HydrophobicContact CG-CG 4.04Å
48S94.7Very high96.1Very high89 Ų8955.7 Ų55.762%0.62229%0.292SS*.SBendtrans-70.9-25.9169.1-51.80000111.9L6 H7L6-S48 PolarHBondContact O-N 3.31Å; L6-S48 VanDerWaalsContact O-N 3.13Å; H7-S48 VanDerWaalsContact O-CB 3.27Å; H7-S48 WeakPolarHBondContact O-CB 3.45Å
49R96.2Very high96.4Very high87 Ų8756 Ų5633%0.32829%0.291SS..EExtended strand (participates in β ladder)trans-147129-179.3-169-172179.1-175.31.1111.1L6 P47 V51 E59L6-R49 HydrophobicContact CB-CB 4.38Å; L6-R49 PolarHBondContact N-O 2.77Å; L6-R49 PolarHBondContact O-N 3.12Å; P47-R49 VanDerWaalsContact C-N 3.25Å; R49-V51 HydrophobicContact CG-CG1 3.72Å; R49-V51 VanDerWaalsContact NE-CG1 3.28Å; R49-E59 IonicContact CZ-OE1 2.69Å; R49-E59 IonicContact CZ-OE2 3.22Å; R49-E59 VanDerWaalsContact CZ-OE2 3.27Å; R49-E59 IonicContact NH1-OE1 3.27Å; R49-E59 PolarHBondContact NH1-OE1 3.03Å; R49-E59 IonicContact NH1-OE2 3.56Å; R49-E59 PolarHBondContact NH1-OE2 2.9Å; R49-E59 IonicContact NH2-OE1 3.88Å; R49-E59 IonicContact NH2-OE2 2.73Å; R49-E59 PolarHBondContact NH2-OE2 3.45Å
50E97.5Very high96.5Very high97 Ų9755.8 Ų55.845%0.45329%0.29SS..EExtended strand (participates in β ladder)trans-99.4139.1164.9-59.9-173.7118.900109.8K3 G4 H5 P47K3-E50 HydrophobicContact CD-CB 3.81Å; K3-E50 HydrophobicContact CD-CG 4.41Å; K3-E50 IonicContact NZ-OE2 3.89Å; K3-E50 PolarHBondContact NZ-OE2 3.14Å; G4-E50 WeakPolarHBondContact O-CA 3.32Å; H5-E50 IonicContact NE2-OE1 3.61Å; P47-E50 HydrophobicContact CG-CG 4.04Å
51V97.6Very high96.6Very high0 Ų055.8 Ų55.80%029%0.29CS..EExtended strand (participates in β ladder)trans-140.6150.1-175.6-60.80000111.7K3 G4 L6 R49 E55 M56 F87K3-V51 CarbonylContact C-O 3.47Å; K3-V51 VanDerWaalsContact CA-O 3.22Å; K3-V51 WeakPolarHBondContact CA-O 3.4Å; G4-V51 PolarHBondContact N-O 3.19Å; G4-V51 PolarHBondContact O-N 3.02Å; L6-V51 HydrophobicContact CD1-CG1 4.18Å; L6-V51 HydrophobicContact CD1-CG2 3.76Å; L6-V51 HydrophobicContact CG-CG2 3.98Å; R49-V51 HydrophobicContact CG-CG1 3.72Å; R49-V51 VanDerWaalsContact NE-CG1 3.28Å; V51-E55 WeakPolarHBondContact CA-OE2 3.38Å; V51-M56 HydrophobicContact CB-CE 3.68Å; V51-M56 HydrophobicContact CB-CG 3.86Å; V51-M56 HydrophobicContact CB-SD 3.9Å; V51-M56 HydrophobicContact CG1-CE 3.47Å; V51-M56 VanDerWaalsContact CG1-CE 3.47Å; V51-M56 HydrophobicContact CG1-CG 4.46Å; V51-M56 HydrophobicContact CG1-SD 3.83Å; V51-M56 HydrophobicContact CG2-CE 4.26Å; V51-M56 HydrophobicContact CG2-CG 3.49Å; V51-M56 VanDerWaalsContact CG2-CG 3.49Å; V51-M56 HydrophobicContact CG2-SD 3.78Å; V51-F87 HydrophobicContact CG2-CE2 4.29Å; V51-F87 HydrophobicContact CG2-CZ 3.81Å
52T98.2Very high96.7Very high18 Ų1859.9 Ų59.911%0.1132%0.317CS..  trans-89.5169.3166.7740000110.6M1 E55 M56M1-T52 HydrophobicContact CG-CG2 4.25Å; M1-T52 HydrophobicContact SD-CG2 3.4Å; M1-T52 WeakPolarHBondContact SD-CG2 3.39Å; T52-E55 PolarHBondContact N-OE2 2.85Å; T52-E55 WeakPolarHBondContact OG1-CB 3.3Å; T52-E55 VanDerWaalsContact OG1-CG 3.23Å; T52-E55 WeakPolarHBondContact OG1-CG 3.42Å; T52-E55 PolarHBondContact OG1-N 3.02Å; T52-E55 VanDerWaalsContact OG1-N 3.16Å; T52-E55 PolarHBondContact OG1-OE2 2.94Å; T52-M56 PolarHBondContact O-N 2.73Å
53V98.2Very high96.8Very high9 Ų961.8 Ų61.86%0.05532%0.324CS..Hα-helixtrans-65.7-50.5176.31790000109.9E55 M56 V57 F87 K90 L91 E94V53-E55 VanDerWaalsContact C-N 3.26Å; V53-E55 PolarHBondContact O-N 2.95Å; V53-M56 PolarHBondContact O-N 2.84Å; V53-V57 HydrophobicContact CG1-CG2 4.09Å; V53-V57 WeakPolarHBondContact O-CG2 3.31Å; V53-V57 PolarHBondContact O-N 2.98Å; V53-F87 HydrophobicContact CG2-CD2 3.81Å; V53-F87 HydrophobicContact CG2-CE2 3.68Å; V53-K90 HydrophobicContact CG1-CB 4.49Å; V53-K90 HydrophobicContact CG2-CB 3.77Å; V53-L91 HydrophobicContact CG1-CB 4.32Å; V53-L91 HydrophobicContact CG1-CD1 4.26Å; V53-E94 HydrophobicContact CG1-CB 4.42Å; V53-E94 HydrophobicContact CG1-CG 4.21Å; V53-E94 WeakPolarHBondContact CG1-OE1 3.43Å; V53-E94 WeakPolarHBondContact CG1-OE2 3.41Å
54D97.8Very high96.9Very high83 Ų8359.2 Ų59.244%0.44431%0.313SS..Hα-helixtrans-52.9-42.4176.7-55.412.3000112.2N58D54-N58 VanDerWaalsContact O-CB 3.29Å; D54-N58 WeakPolarHBondContact O-CB 3.19Å; D54-N58 PolarHBondContact O-N 2.59Å; D54-N58 PolarHBondContact O-ND2 2.87Å
55E97.9Very high97Very high98 Ų9859.3 Ų59.346%0.45832%0.319SS..Hα-helixtrans-62.3-43.4176.8-75.6169.1167.200111.7V51 T52 V53 E59V51-E55 WeakPolarHBondContact CA-OE2 3.38Å; T52-E55 PolarHBondContact N-OE2 2.85Å; T52-E55 WeakPolarHBondContact OG1-CB 3.3Å; T52-E55 VanDerWaalsContact OG1-CG 3.23Å; T52-E55 WeakPolarHBondContact OG1-CG 3.42Å; T52-E55 PolarHBondContact OG1-N 3.02Å; T52-E55 VanDerWaalsContact OG1-N 3.16Å; T52-E55 PolarHBondContact OG1-OE2 2.94Å; V53-E55 VanDerWaalsContact C-N 3.26Å; V53-E55 PolarHBondContact O-N 2.95Å; E55-E59 WeakPolarHBondContact O-CB 3.35Å; E55-E59 PolarHBondContact O-N 2.79Å; E55-E59 VanDerWaalsContact O-N 3.08Å
56M97.8Very high97.3Very high0 Ų060.3 Ų60.30%031%0.309CS..Hα-helixtrans-70.7-42.1179-70.3-52.68200112.5L6 L24 V51 T52 V53 N58 E59 I60 F87 L91L6-M56 HydrophobicContact CD1-SD 3.8Å; L24-M56 HydrophobicContact CD2-CG 4.16Å; L24-M56 HydrophobicContact CD2-SD 4.21Å; V51-M56 HydrophobicContact CB-CE 3.68Å; V51-M56 HydrophobicContact CB-CG 3.86Å; V51-M56 HydrophobicContact CB-SD 3.9Å; V51-M56 HydrophobicContact CG1-CE 3.47Å; V51-M56 VanDerWaalsContact CG1-CE 3.47Å; V51-M56 HydrophobicContact CG1-CG 4.46Å; V51-M56 HydrophobicContact CG1-SD 3.83Å; V51-M56 HydrophobicContact CG2-CE 4.26Å; V51-M56 HydrophobicContact CG2-CG 3.49Å; V51-M56 VanDerWaalsContact CG2-CG 3.49Å; V51-M56 HydrophobicContact CG2-SD 3.78Å; T52-M56 PolarHBondContact O-N 2.73Å; V53-M56 PolarHBondContact O-N 2.84Å; M56-N58 VanDerWaalsContact C-N 3.34Å; M56-N58 PolarHBondContact O-N 3.08Å; M56-E59 HydrophobicContact CE-CB 4.38Å; M56-E59 PolarHBondContact O-N 3.19Å; M56-I60 HydrophobicContact CB-CD1 4.25Å; M56-I60 VanDerWaalsContact O-CB 3.32Å; M56-I60 WeakPolarHBondContact O-CB 3.24Å; M56-I60 VanDerWaalsContact O-CD1 3.29Å; M56-I60 WeakPolarHBondContact O-CD1 3.32Å; M56-I60 WeakPolarHBondContact O-CG1 3.36Å; M56-I60 PolarHBondContact O-N 3.3Å; M56-F87 HydrophobicContact CG-CZ 4.08Å; M56-L91 HydrophobicContact CB-CD1 3.91Å
57V98.3Very high97.6Very high9 Ų955.4 Ų55.46%0.05529%0.286CS..Hα-helixtrans-61.1-46.5176.7173.70000110V53 E59 I60 L61 L91 E94 L95V53-V57 HydrophobicContact CG1-CG2 4.09Å; V53-V57 WeakPolarHBondContact O-CG2 3.31Å; V53-V57 PolarHBondContact O-N 2.98Å; V57-E59 VanDerWaalsContact C-N 3.28Å; V57-E59 PolarHBondContact O-N 3.47Å; V57-I60 PolarHBondContact O-N 3.46Å; V57-L61 HydrophobicContact CG1-CD1 3.6Å; V57-L61 HydrophobicContact CG1-CG 3.86Å; V57-L61 WeakPolarHBondContact O-CB 3.21Å; V57-L61 VanDerWaalsContact O-CG 3.26Å; V57-L61 WeakPolarHBondContact O-CG 3.4Å; V57-L61 PolarHBondContact O-N 3.08Å; V57-L91 HydrophobicContact CG2-CD1 3.94Å; V57-E94 HydrophobicContact CG2-CB 3.82Å; V57-E94 WeakPolarHBondContact CG2-OE2 3.46Å; V57-L95 HydrophobicContact CG2-CD2 4.47Å
58N98Very high97.7Very high116 Ų11658.6 Ų58.662%0.6230%0.301SS*.Hα-helixtrans-62-32.6176.8-74.2-43.1000113.4D54 M56 P62D54-N58 VanDerWaalsContact O-CB 3.29Å; D54-N58 WeakPolarHBondContact O-CB 3.19Å; D54-N58 PolarHBondContact O-N 2.59Å; D54-N58 PolarHBondContact O-ND2 2.87Å; M56-N58 VanDerWaalsContact C-N 3.34Å; M56-N58 PolarHBondContact O-N 3.08Å; N58-P62 WeakPolarHBondContact O-CD 3.14Å
59E97.9Very high97.8Very high52 Ų5258.7 Ų58.724%0.24331%0.307CS..Hα-helixtrans-74.9-36175.8-175.7171.6122.600112.8Y22 R49 E55 M56 V57 Y63Y22-E59 VanDerWaalsContact OH-CD 3.32Å; Y22-E59 WeakPolarHBondContact OH-CG 3.23Å; Y22-E59 PolarHBondContact OH-OE1 3.02Å; R49-E59 IonicContact CZ-OE1 2.69Å; R49-E59 IonicContact CZ-OE2 3.22Å; R49-E59 VanDerWaalsContact CZ-OE2 3.27Å; R49-E59 IonicContact NH1-OE1 3.27Å; R49-E59 PolarHBondContact NH1-OE1 3.03Å; R49-E59 IonicContact NH1-OE2 3.56Å; R49-E59 PolarHBondContact NH1-OE2 2.9Å; R49-E59 IonicContact NH2-OE1 3.88Å; R49-E59 IonicContact NH2-OE2 2.73Å; R49-E59 PolarHBondContact NH2-OE2 3.45Å; E55-E59 WeakPolarHBondContact O-CB 3.35Å; E55-E59 PolarHBondContact O-N 2.79Å; E55-E59 VanDerWaalsContact O-N 3.08Å; M56-E59 HydrophobicContact CE-CB 4.38Å; M56-E59 PolarHBondContact O-N 3.19Å; V57-E59 VanDerWaalsContact C-N 3.28Å; V57-E59 PolarHBondContact O-N 3.47Å; E59-Y63 WeakPolarHBondContact O-CD2 3.32Å; E59-Y63 WeakPolarHBondContact O-CE2 3.12Å
60I98.5Very high97.8Very high0 Ų056.7 Ų56.70%031%0.306CS..Hα-helixtrans-80.9-44.4-175.1-70.3162.8000112.2Y22 L24 M56 V57 P62 Y63 F67 V74 L91 L95Y22-I60 HydrophobicContact CD1-CD1 4.43Å; Y22-I60 HydrophobicContact CD1-CG1 3.73Å; Y22-I60 HydrophobicContact CE1-CG1 4.02Å; Y22-I60 HydrophobicContact CG-CG1 4.08Å; L24-I60 HydrophobicContact CD1-CD1 4.01Å; M56-I60 HydrophobicContact CB-CD1 4.25Å; M56-I60 VanDerWaalsContact O-CB 3.32Å; M56-I60 WeakPolarHBondContact O-CB 3.24Å; M56-I60 VanDerWaalsContact O-CD1 3.29Å; M56-I60 WeakPolarHBondContact O-CD1 3.32Å; M56-I60 WeakPolarHBondContact O-CG1 3.36Å; M56-I60 PolarHBondContact O-N 3.3Å; V57-I60 PolarHBondContact O-N 3.46Å; I60-P62 VanDerWaalsContact C-N 3.33Å; I60-Y63 WeakPolarHBondContact O-CB 3.37Å; I60-Y63 PolarHBondContact O-N 3.11Å; I60-F67 HydrophobicContact CG2-CE2 3.95Å; I60-F67 HydrophobicContact CG2-CZ 4.31Å; I60-V74 HydrophobicContact CD1-CG1 4.44Å; I60-V74 HydrophobicContact CD1-CG2 4.13Å; I60-V74 HydrophobicContact CG1-CG2 4.45Å; I60-V74 HydrophobicContact CG2-CG2 3.43Å; I60-V74 VanDerWaalsContact CG2-CG2 3.43Å; I60-L91 HydrophobicContact CD1-CD1 4.46Å; I60-L95 HydrophobicContact CB-CD2 4.31Å; I60-L95 HydrophobicContact CD1-CD1 4.37Å; I60-L95 HydrophobicContact CD1-CD2 4.09Å; I60-L95 HydrophobicContact CG2-CD2 3.76Å
61L98.2Very high97.8Very high46 Ų4654.5 Ų54.524%0.24131%0.309CS..G310 helixtrans-56.8-34-171.3-71.4-178.1000115.1V57 Y63 K64 N98 V100V57-L61 HydrophobicContact CG1-CD1 3.6Å; V57-L61 HydrophobicContact CG1-CG 3.86Å; V57-L61 WeakPolarHBondContact O-CB 3.21Å; V57-L61 VanDerWaalsContact O-CG 3.26Å; V57-L61 WeakPolarHBondContact O-CG 3.4Å; V57-L61 PolarHBondContact O-N 3.08Å; L61-Y63 PolarHBondContact O-N 3.23Å; L61-Y63 VanDerWaalsContact O-N 3.07Å; L61-K64 VanDerWaalsContact O-CB 3.23Å; L61-K64 WeakPolarHBondContact O-CB 3.32Å; L61-K64 PolarHBondContact O-N 2.78Å; L61-N98 HydrophobicContact CD2-CB 3.53Å; L61-V100 HydrophobicContact CD2-CG2 4.18Å
62P98.3Very high97.8Very high87 Ų8754.7 Ų54.757%0.56531%0.312SS*.G310 helixtrans-55.6-23172.2-28.937000114.7N58 I60N58-P62 WeakPolarHBondContact O-CD 3.14Å; I60-P62 VanDerWaalsContact C-N 3.33Å
63Y98.2Very high97.8Very high66 Ų6653.9 Ų53.926%0.25931%0.307SS..G310 helixtrans-88.8-5.8178.6-64.1-92.4000113.8L12 Y22 E59 I60 L61 P65 Y66 F67L12-Y63 HydrophobicContact CD2-CD1 4.11Å; L12-Y63 HydrophobicContact CG-CD1 4.26Å; Y22-Y63 AromaticContact CD2-CD2 3.74Å; Y22-Y63 HydrophobicContact CD2-CD2 3.74Å; Y22-Y63 AromaticContact CD2-CE2 3.94Å; Y22-Y63 HydrophobicContact CD2-CE2 3.94Å; Y22-Y63 HydrophobicContact CD2-CG 4.07Å; Y22-Y63 AromaticContact CE2-CD2 3.78Å; Y22-Y63 HydrophobicContact CE2-CD2 3.78Å; Y22-Y63 AromaticContact CE2-CE2 3.5Å; Y22-Y63 HydrophobicContact CE2-CE2 3.5Å; Y22-Y63 VanDerWaalsContact CE2-CE2 3.5Å; Y22-Y63 HydrophobicContact CE2-CG 4.46Å; Y22-Y63 AromaticContact CE2-CZ 3.96Å; E59-Y63 WeakPolarHBondContact O-CD2 3.32Å; E59-Y63 WeakPolarHBondContact O-CE2 3.12Å; I60-Y63 WeakPolarHBondContact O-CB 3.37Å; I60-Y63 PolarHBondContact O-N 3.11Å; L61-Y63 PolarHBondContact O-N 3.23Å; L61-Y63 VanDerWaalsContact O-N 3.07Å; Y63-P65 VanDerWaalsContact C-N 3.31Å; Y63-P65 VanDerWaalsContact O-N 3.15Å; Y63-Y66 HydrophobicContact CD1-CD2 4.3Å; Y63-Y66 WeakPolarHBondContact O-CB 3.49Å; Y63-Y66 PolarHBondContact O-N 3.16Å; Y63-F67 HydrophobicContact CG-CZ 4.47Å; Y63-F67 PolarHBondContact O-N 3.08Å
64K97.4Very high97.9Very high57 Ų5753.4 Ų53.425%0.24830%0.304CS..Hα-helixtrans-49.5-40.7-178.4-169.6-173.9-176.1-50.50114.5L61 Y66 F67 D68 N98 V100L61-K64 VanDerWaalsContact O-CB 3.23Å; L61-K64 WeakPolarHBondContact O-CB 3.32Å; L61-K64 PolarHBondContact O-N 2.78Å; K64-Y66 PolarHBondContact O-N 2.91Å; K64-F67 HydrophobicContact CB-CD2 4.39Å; K64-F67 WeakPolarHBondContact O-CB 3.44Å; K64-F67 PolarHBondContact O-N 3.18Å; K64-D68 IonicContact NZ-OD1 3.91Å; K64-D68 PolarHBondContact NZ-OD1 3.37Å; K64-D68 IonicContact NZ-OD2 2.68Å; K64-D68 PolarHBondContact NZ-OD2 2.72Å; K64-D68 PolarHBondContact O-N 3.08Å; K64-N98 WeakPolarHBondContact CE-O 3.32Å; K64-V100 HydrophobicContact CG-CG2 4.48Å
65P97.7Very high97.9Very high87 Ų8749.5 Ų49.557%0.56528%0.283SS*.Hα-helixtrans-57.4-34.3177-27.236.7000114.2Y63 A69Y63-P65 VanDerWaalsContact C-N 3.31Å; Y63-P65 VanDerWaalsContact O-N 3.15Å; P65-A69 WeakPolarHBondContact O-CB 3.38Å; P65-A69 PolarHBondContact O-N 3.22Å; P65-A69 VanDerWaalsContact O-N 3.12Å
66Y97.9Very high97.9Very high123 Ų12344.9 Ų44.948%0.48226%0.262SS..Hα-helixtrans-71.4-35.3176-60.3-80.7000111.8L12 Y63 K64 S70L12-Y66 HydrophobicContact CD2-CD1 4.33Å; L12-Y66 HydrophobicContact CD2-CD2 4.06Å; L12-Y66 HydrophobicContact CD2-CG 3.76Å; Y63-Y66 HydrophobicContact CD1-CD2 4.3Å; Y63-Y66 WeakPolarHBondContact O-CB 3.49Å; Y63-Y66 PolarHBondContact O-N 3.16Å; K64-Y66 PolarHBondContact O-N 2.91Å; Y66-S70 WeakPolarHBondContact O-CB 3.4Å; Y66-S70 PolarHBondContact O-N 3.5Å; Y66-S70 PolarHBondContact O-OG 3.48Å
67F97.7Very high98Very high5 Ų545.6 Ų45.62%0.02227%0.266CS..Hα-helixtrans-65.9-48.9175.9-49-23.8000110L20 I60 Y63 K64 A69 S70 G71 G72 V74 V100L20-F67 WeakPolarHBondContact O-CD1 3.49Å; I60-F67 HydrophobicContact CG2-CE2 3.95Å; I60-F67 HydrophobicContact CG2-CZ 4.31Å; Y63-F67 HydrophobicContact CG-CZ 4.47Å; Y63-F67 PolarHBondContact O-N 3.08Å; K64-F67 HydrophobicContact CB-CD2 4.39Å; K64-F67 WeakPolarHBondContact O-CB 3.44Å; K64-F67 PolarHBondContact O-N 3.18Å; F67-A69 VanDerWaalsContact C-N 3.27Å; F67-A69 PolarHBondContact O-N 3.06Å; F67-S70 PolarHBondContact O-N 2.96Å; F67-S70 VanDerWaalsContact O-N 3.14Å; F67-S70 PolarHBondContact O-OG 2.87Å; F67-G71 PolarHBondContact O-N 3.17Å; F67-G72 PolarHBondContact O-N 3.42Å; F67-V74 HydrophobicContact CE2-CG2 4.48Å; F67-V100 HydrophobicContact CD2-CG1 4.13Å; F67-V100 HydrophobicContact CE2-CG1 4.35Å
68D96.9Very high97.8Very high102 Ų10245.9 Ų45.955%0.54527%0.272SS..Hα-helixtrans-59.2-39.1179.3-66.3-15.4000111.6K64K64-D68 IonicContact NZ-OD1 3.91Å; K64-D68 PolarHBondContact NZ-OD1 3.37Å; K64-D68 IonicContact NZ-OD2 2.68Å; K64-D68 PolarHBondContact NZ-OD2 2.72Å; K64-D68 PolarHBondContact O-N 3.08Å
69A97.7Very high97.8Very high91 Ų9141 Ų4175%0.75225%0.249SC*.Hα-helixtrans-72.3-26.7179.300000114.2P65 F67P65-A69 WeakPolarHBondContact O-CB 3.38Å; P65-A69 PolarHBondContact O-N 3.22Å; P65-A69 VanDerWaalsContact O-N 3.12Å; F67-A69 VanDerWaalsContact C-N 3.27Å; F67-A69 PolarHBondContact O-N 3.06Å
70S97.2Very high97.8Very high44 Ų4438.6 Ų38.631%0.30824%0.238SC..Hα-helixtrans-110.3-5.1-172.8620000114.5G19 L20 Y66 F67 G72G19-S70 WeakPolarHBondContact CA-O 3.41Å; L20-S70 WeakPolarHBondContact CB-OG 3.47Å; L20-S70 PolarHBondContact N-OG 3.41Å; Y66-S70 WeakPolarHBondContact O-CB 3.4Å; Y66-S70 PolarHBondContact O-N 3.5Å; Y66-S70 PolarHBondContact O-OG 3.48Å; F67-S70 PolarHBondContact O-N 2.96Å; F67-S70 VanDerWaalsContact O-N 3.14Å; F67-S70 PolarHBondContact O-OG 2.87Å; S70-G72 PolarHBondContact OG-N 2.93Å
71G96.6Very high97.8Very high51 Ų5138.7 Ų38.753%0.52624%0.238SC..THydrogen-bonded Turntrans67.726.9-165.800000112.5F67F67-G71 PolarHBondContact O-N 3.17Å
72G97.8Very high97.8Very high5 Ų536.6 Ų36.65%0.05223%0.227CC..  trans-84.9-156.5-174.200000114.4P18 L20 R21 F67 S70 H101P18-G72 WeakPolarHBondContact O-CA 3.43Å; L20-G72 WeakPolarHBondContact O-CA 3.04Å; R21-G72 VanDerWaalsContact NH1-C 3.34Å; F67-G72 PolarHBondContact O-N 3.42Å; S70-G72 PolarHBondContact OG-N 2.93Å; G72-H101 WeakPolarHBondContact O-CB 3.43Å
73G98.5Very high97.8Very high0 Ų035.2 Ų35.20%021%0.214CC..EExtended strand (participates in β ladder)trans161.8-140.1177.800000113.8L20 R21 Y22 H101L20-G73 PolarHBondContact O-N 3.39Å; L20-G73 VanDerWaalsContact O-N 3.12Å; R21-G73 CarbonylContact C-O 3.45Å; R21-G73 WeakPolarHBondContact CA-O 3.25Å; Y22-G73 PolarHBondContact N-O 3.14Å; G73-H101 WeakPolarHBondContact CA-O 3.29Å
74V98.8Very high97.7Very high0 Ų033.1 Ų33.10%021%0.207CC..EExtended strand (participates in β ladder)trans-115.7135.2178.4172.60000110.4R21 Y22 L24 I60 F67 V76 L95 V100 H101 C103R21-V74 PolarHBondContact NH2-O 3.47Å; Y22-V74 WeakPolarHBondContact O-CA 3.39Å; L24-V74 HydrophobicContact CD1-CG1 3.56Å; I60-V74 HydrophobicContact CD1-CG1 4.44Å; I60-V74 HydrophobicContact CD1-CG2 4.13Å; I60-V74 HydrophobicContact CG1-CG2 4.45Å; I60-V74 HydrophobicContact CG2-CG2 3.43Å; I60-V74 VanDerWaalsContact CG2-CG2 3.43Å; F67-V74 HydrophobicContact CE2-CG2 4.48Å; V74-V76 HydrophobicContact CG1-CG2 4.46Å; V74-L95 HydrophobicContact CB-CD1 3.89Å; V74-L95 HydrophobicContact CG1-CD1 3.81Å; V74-L95 HydrophobicContact CG2-CD1 3.87Å; V74-L95 HydrophobicContact CG2-CD2 4.17Å; V74-V100 HydrophobicContact CB-CG1 4.3Å; V74-V100 HydrophobicContact CG2-CG1 3.72Å; V74-H101 PolarHBondContact N-O 3Å; V74-C103 PolarHBondContact O-N 2.83Å
75T98.9Very high97.8Very high0 Ų031 Ų310%020%0.198CC..EExtended strand (participates in β ladder)trans-114.1136.8167.3-64.30000109.9D16 R21 Y22 I23 L24 C103 D105D16-T75 HydrophobicContact CB-CG2 4.17Å; D16-T75 WeakPolarHBondContact O-CB 3.43Å; D16-T75 WeakPolarHBondContact O-CG2 3.43Å; D16-T75 PolarHBondContact O-OG1 3.45Å; R21-T75 VanDerWaalsContact CD-OG1 3.24Å; R21-T75 WeakPolarHBondContact CD-OG1 3Å; R21-T75 PolarHBondContact NE-OG1 2.95Å; Y22-T75 PolarHBondContact O-N 2.94Å; I23-T75 CarbonylContact C-O 3.57Å; I23-T75 VanDerWaalsContact CA-O 3.29Å; I23-T75 WeakPolarHBondContact CA-O 3.3Å; L24-T75 PolarHBondContact N-O 2.88Å; T75-C103 CarbonylContact C-O 3.56Å; T75-C103 VanDerWaalsContact CA-O 3.26Å; T75-C103 WeakPolarHBondContact CA-O 3.5Å; T75-C103 HydrophobicContact CG2-CB 4.46Å; T75-C103 WeakPolarHBondContact OG1-CB 3.26Å; T75-D105 HydrophobicContact CG2-CB 3.74Å
76V98.7Very high97.8Very high2 Ų229.2 Ų29.21%0.01219%0.187CC..EExtended strand (participates in β ladder)trans-108117.3167.3-173.20000107.8L24 T26 V74 P81 L88 L91 F92 C103 D105L24-V76 HydrophobicContact CB-CG1 4.46Å; L24-V76 HydrophobicContact CB-CG2 4.35Å; T26-V76 HydrophobicContact CG2-CG1 3.44Å; T26-V76 VanDerWaalsContact CG2-CG1 3.44Å; V74-V76 HydrophobicContact CG1-CG2 4.46Å; V76-P81 HydrophobicContact CG1-CB 3.88Å; V76-P81 HydrophobicContact CG1-CG 4.06Å; V76-P81 WeakPolarHBondContact O-CG 3.47Å; V76-L88 HydrophobicContact CB-CD2 4.29Å; V76-L88 HydrophobicContact CG1-CD1 4.43Å; V76-L88 HydrophobicContact CG1-CD2 3.97Å; V76-L88 HydrophobicContact CG1-CG 4.22Å; V76-L91 HydrophobicContact CG2-CD2 4.41Å; V76-F92 HydrophobicContact CB-CE1 4.36Å; V76-F92 HydrophobicContact CB-CZ 4.27Å; V76-F92 HydrophobicContact CG2-CE1 3.42Å; V76-F92 VanDerWaalsContact CG2-CE1 3.42Å; V76-F92 HydrophobicContact CG2-CZ 3.81Å; V76-C103 PolarHBondContact N-O 2.86Å; V76-D105 PolarHBondContact O-N 2.89Å
77S98.1Very high97.8Very high14 Ų1423.6 Ų23.610%0.09817%0.165CC..EExtended strand (participates in β ladder)trans-134.1-145.7-176-173.20000108.8L24 T26 P81 D105L24-S77 CarbonylContact O-C 3.6Å; L24-S77 PolarHBondContact O-N 3.04Å; T26-S77 PolarHBondContact N-O 3.01Å; T26-S77 PolarHBondContact OG1-O 3.2Å; S77-P81 WeakPolarHBondContact O-CG 3.29Å; S77-D105 WeakPolarHBondContact CB-OD2 3.45Å; S77-D105 PolarHBondContact OG-OD2 3.2Å
78G95.6Very high97.8Very high16 Ų1623.4 Ų23.417%0.16516%0.164CC..EExtended strand (participates in β ladder)trans106-120.4177.200000112.8
79G96.7Very high97.9Very high14 Ų1419.8 Ų19.814%0.14414%0.144CC..SBendtrans-78.7-86.817100000110.8T26 G28 T41T26-G79 PolarHBondContact O-N 3.19Å; G28-G79 CarbonylContact O-C 3.4Å; G28-G79 WeakPolarHBondContact O-CA 3.48Å; T41-G79 WeakPolarHBondContact OG1-CA 3.43Å
80E98.1Very high97.9Very high1 Ų121 Ų211%0.00513%0.132CC..  trans-141.798.4175.5177.948.7-105.600109.8G28 C29 L82 L83 T106 S107 A108 C110G28-E80 PolarHBondContact O-N 3.12Å; C29-E80 HydrophobicContact CB-CB 4.48Å; E80-L82 HydrophobicContact CG-CB 4.4Å; E80-L82 PolarHBondContact O-N 3.28Å; E80-L82 VanDerWaalsContact O-N 3.16Å; E80-L82 WeakPolarHBondContact OE1-CB 3.24Å; E80-L82 PolarHBondContact OE1-N 3.08Å; E80-L83 HydrophobicContact CB-CD1 4.01Å; E80-L83 HydrophobicContact CB-CG 4.05Å; E80-L83 HydrophobicContact CG-CD1 4.46Å; E80-L83 HydrophobicContact CG-CG 3.99Å; E80-L83 WeakPolarHBondContact O-CB 3.43Å; E80-L83 PolarHBondContact O-N 3.35Å; E80-T106 VanDerWaalsContact CD-OG1 3.27Å; E80-T106 PolarHBondContact OE1-OG1 2.84Å; E80-T106 PolarHBondContact OE2-OG1 3.23Å; E80-S107 WeakPolarHBondContact OE2-CA 3.16Å; E80-S107 WeakPolarHBondContact OE2-CB 3.29Å; E80-S107 PolarHBondContact OE2-N 2.97Å; E80-S107 PolarHBondContact OE2-OG 2.89Å; E80-A108 PolarHBondContact OE2-N 3.16Å; E80-A108 VanDerWaalsContact OE2-N 3.12Å; E80-C110 HydrophobicContact CG-CB 4.49Å
81P98.4Very high98Very high1 Ų119 Ų191%0.00612%0.118CC..G310 helixtrans-53.8-33.8-179.7-31.938.8000114.8T26 V76 S77 L83 Q84 L88 L104 D105T26-P81 HydrophobicContact CG2-CB 4.43Å; T26-P81 WeakPolarHBondContact OG1-CA 3.41Å; V76-P81 HydrophobicContact CG1-CB 3.88Å; V76-P81 HydrophobicContact CG1-CG 4.06Å; V76-P81 WeakPolarHBondContact O-CG 3.47Å; S77-P81 WeakPolarHBondContact O-CG 3.29Å; P81-L83 PolarHBondContact O-N 3.48Å; P81-L83 VanDerWaalsContact O-N 3.09Å; P81-Q84 PolarHBondContact O-N 2.84Å; P81-L88 HydrophobicContact CB-CD2 3.81Å; P81-L104 HydrophobicContact CB-CD1 3.6Å; P81-L104 HydrophobicContact CG-CD1 4.33Å; P81-D105 WeakPolarHBondContact CD-O 3.43Å; P81-D105 VanDerWaalsContact CG-O 3.27Å; P81-D105 WeakPolarHBondContact CG-O 3.48Å
82L98.4Very high98.1Very high3 Ų316.5 Ų16.52%0.0169%0.093CC..G310 helixtrans-66.3-11.7-179.7-68.3179.3000113.2E80 Q84 M85 L104 T106 A108 C110 F117 F121 L124 F157E80-L82 HydrophobicContact CG-CB 4.4Å; E80-L82 PolarHBondContact O-N 3.28Å; E80-L82 VanDerWaalsContact O-N 3.16Å; E80-L82 WeakPolarHBondContact OE1-CB 3.24Å; E80-L82 PolarHBondContact OE1-N 3.08Å; L82-Q84 PolarHBondContact O-N 3.08Å; L82-M85 HydrophobicContact CB-CG 4.42Å; L82-M85 HydrophobicContact CD2-CG 3.85Å; L82-M85 HydrophobicContact CD2-SD 3.93Å; L82-M85 WeakPolarHBondContact O-CE 3.28Å; L82-M85 WeakPolarHBondContact O-CG 3.49Å; L82-L104 HydrophobicContact CD2-CD2 3.72Å; L82-L104 HydrophobicContact CG-CD2 4.29Å; L82-T106 HydrophobicContact CD1-CG2 4.3Å; L82-T106 VanDerWaalsContact CD1-OG1 3.27Å; L82-T106 WeakPolarHBondContact CD1-OG1 3.35Å; L82-A108 HydrophobicContact CD1-CB 4.44Å; L82-C110 WeakPolarHBondContact CB-SG 3.27Å; L82-F117 HydrophobicContact CD1-CZ 4.26Å; L82-F121 HydrophobicContact CD2-CD2 4.06Å; L82-F121 HydrophobicContact CD2-CE2 4.33Å; L82-L124 HydrophobicContact CD2-CD2 4.06Å; L82-F157 HydrophobicContact CD1-CE1 4.31Å; L82-F157 HydrophobicContact CD1-CZ 4.09Å
83L97.7Very high98.1Very high57 Ų5717.2 Ų17.230%0.29810%0.098SC..G310 helixtrans-70-16.2169.3-66.6177000113.2L30 I44 E80 P81 C110L30-L83 HydrophobicContact CD1-CD2 3.99Å; L30-L83 HydrophobicContact CG-CD1 4.22Å; L30-L83 HydrophobicContact CG-CD2 4.02Å; I44-L83 HydrophobicContact CD1-CD1 4.16Å; I44-L83 HydrophobicContact CG1-CD1 4.31Å; E80-L83 HydrophobicContact CB-CD1 4.01Å; E80-L83 HydrophobicContact CB-CG 4.05Å; E80-L83 HydrophobicContact CG-CD1 4.46Å; E80-L83 HydrophobicContact CG-CG 3.99Å; E80-L83 WeakPolarHBondContact O-CB 3.43Å; E80-L83 PolarHBondContact O-N 3.35Å; P81-L83 PolarHBondContact O-N 3.48Å; P81-L83 VanDerWaalsContact O-N 3.09Å; L83-C110 HydrophobicContact CD2-CB 3.58Å; L83-C110 HydrophobicContact CG-CB 4.39Å
84Q97.8Very high98.1Very high22 Ų2220 Ų2010%0.10311%0.111CC..G310 helixtrans-120.824.9-175.1-57.6-171.443.500112.7H5 Q27 P81 L82 P86 F87 L88H5-Q84 PolarHBondContact O-NE2 3.43Å; H5-Q84 PolarHBondContact O-OE1 3.5Å; Q27-Q84 PolarHBondContact O-NE2 3.14Å; P81-Q84 PolarHBondContact O-N 2.84Å; L82-Q84 PolarHBondContact O-N 3.08Å; Q84-P86 VanDerWaalsContact C-CD 3.41Å; Q84-P86 VanDerWaalsContact C-N 3.32Å; Q84-P86 VanDerWaalsContact O-N 3.1Å; Q84-F87 WeakPolarHBondContact O-CB 3.29Å; Q84-F87 PolarHBondContact O-N 3.32Å; Q84-L88 HydrophobicContact CB-CD1 3.74Å; Q84-L88 WeakPolarHBondContact O-CD1 3.42Å; Q84-L88 PolarHBondContact O-N 3.49Å
85M98.1Very high98.1Very high13 Ų1320 Ų206%0.06411%0.111CC..Hα-helixtrans-44.7-45-176-74.8-178.7-71.500114.9L82 F87 L88 E89 F117 H120 F121 L124L82-M85 HydrophobicContact CB-CG 4.42Å; L82-M85 HydrophobicContact CD2-CG 3.85Å; L82-M85 HydrophobicContact CD2-SD 3.93Å; L82-M85 WeakPolarHBondContact O-CE 3.28Å; L82-M85 WeakPolarHBondContact O-CG 3.49Å; M85-F87 PolarHBondContact O-N 3.36Å; M85-F87 VanDerWaalsContact O-N 3.09Å; M85-L88 PolarHBondContact O-N 3.04Å; M85-E89 VanDerWaalsContact C-OE1 3.28Å; M85-E89 VanDerWaalsContact O-CG 3.26Å; M85-E89 WeakPolarHBondContact O-CG 3.45Å; M85-E89 PolarHBondContact O-N 3.2Å; M85-F117 HydrophobicContact CE-CD2 3.43Å; M85-F117 VanDerWaalsContact CE-CD2 3.43Å; M85-F117 HydrophobicContact CE-CE2 3.56Å; M85-F117 HydrophobicContact CE-CG 4.13Å; M85-F117 HydrophobicContact CE-CZ 4.37Å; M85-F117 HydrophobicContact SD-CE2 4.21Å; M85-H120 HydrophobicContact CB-CB 3.95Å; M85-H120 HydrophobicContact CE-CB 3.95Å; M85-H120 HydrophobicContact SD-CB 3.96Å; M85-F121 HydrophobicContact SD-CB 4.01Å; M85-F121 HydrophobicContact SD-CD2 4.42Å; M85-L124 HydrophobicContact CG-CD2 4.05Å
86P97.7Very high98.1Very high50 Ų5023.5 Ų23.533%0.32513%0.126SC..Hα-helixtrans-55.4-33.9178.9-27.735.8000114.2L2 Q84L2-P86 HydrophobicContact CD1-CB 4.42Å; L2-P86 HydrophobicContact CD2-CB 3.78Å; L2-P86 WeakPolarHBondContact CD2-O 3.34Å; Q84-P86 VanDerWaalsContact C-CD 3.41Å; Q84-P86 VanDerWaalsContact C-N 3.32Å; Q84-P86 VanDerWaalsContact O-N 3.1Å
87F98.3Very high98Very high5 Ų531.2 Ų31.22%0.02216%0.162CC..Hα-helixtrans-75.7-44176.2171.1-102.9000110.5L2 G4 V51 V53 M56 Q84 M85 E89 K90 L91L2-F87 HydrophobicContact CD2-CB 4.25Å; L2-F87 HydrophobicContact CG-CB 4.43Å; G4-F87 VanDerWaalsContact CA-CG 3.49Å; V51-F87 HydrophobicContact CG2-CE2 4.29Å; V51-F87 HydrophobicContact CG2-CZ 3.81Å; V53-F87 HydrophobicContact CG2-CD2 3.81Å; V53-F87 HydrophobicContact CG2-CE2 3.68Å; M56-F87 HydrophobicContact CG-CZ 4.08Å; Q84-F87 WeakPolarHBondContact O-CB 3.29Å; Q84-F87 PolarHBondContact O-N 3.32Å; M85-F87 PolarHBondContact O-N 3.36Å; M85-F87 VanDerWaalsContact O-N 3.09Å; F87-E89 PolarHBondContact O-N 2.9Å; F87-K90 PolarHBondContact O-N 2.88Å; F87-L91 HydrophobicContact CE1-CD2 3.86Å; F87-L91 HydrophobicContact CZ-CD2 4.2Å; F87-L91 WeakPolarHBondContact O-CB 3.33Å; F87-L91 PolarHBondContact O-N 2.88Å
88L98.5Very high98.1Very high0 Ų033.8 Ų33.80%018%0.175CC..Hα-helixtrans-63.9-40.4-179.6-82.474.8000112.5V76 P81 Q84 M85 K90 L91 F92 L104 L124V76-L88 HydrophobicContact CB-CD2 4.29Å; V76-L88 HydrophobicContact CG1-CD1 4.43Å; V76-L88 HydrophobicContact CG1-CD2 3.97Å; V76-L88 HydrophobicContact CG1-CG 4.22Å; P81-L88 HydrophobicContact CB-CD2 3.81Å; Q84-L88 HydrophobicContact CB-CD1 3.74Å; Q84-L88 WeakPolarHBondContact O-CD1 3.42Å; Q84-L88 PolarHBondContact O-N 3.49Å; M85-L88 PolarHBondContact O-N 3.04Å; L88-K90 VanDerWaalsContact C-N 3.27Å; L88-K90 PolarHBondContact O-N 2.88Å; L88-L91 PolarHBondContact O-N 2.88Å; L88-F92 WeakPolarHBondContact O-CB 3.36Å; L88-F92 PolarHBondContact O-N 2.77Å; L88-L104 HydrophobicContact CD2-CD1 3.68Å; L88-L124 HydrophobicContact CB-CD1 3.75Å; L88-L124 HydrophobicContact CB-CD2 4.2Å; L88-L124 HydrophobicContact CD2-CD2 4.16Å
89E98.1Very high98.2Very high27 Ų2735.6 Ų35.613%0.12619%0.193CC..Hα-helixtrans-52.6-48.1177.5-73.1158.9-13700110.9M85 F87 A93 H120 E123 L124M85-E89 VanDerWaalsContact C-OE1 3.28Å; M85-E89 VanDerWaalsContact O-CG 3.26Å; M85-E89 WeakPolarHBondContact O-CG 3.45Å; M85-E89 PolarHBondContact O-N 3.2Å; F87-E89 PolarHBondContact O-N 2.9Å; E89-A93 WeakPolarHBondContact O-CB 3.3Å; E89-A93 PolarHBondContact O-N 2.55Å; E89-A93 VanDerWaalsContact O-N 3.12Å; E89-H120 WeakPolarHBondContact OE1-CA 3.47Å; E89-H120 WeakPolarHBondContact OE1-CB 3.45Å; E89-H120 IonicContact OE1-CE1 3.22Å; E89-H120 IonicContact OE1-CG 3.74Å; E89-H120 VanDerWaalsContact OE1-CG 3.22Å; E89-H120 IonicContact OE1-ND1 2.89Å; E89-H120 PolarHBondContact OE1-ND1 3.08Å; E89-H120 IonicContact OE2-ND1 3.39Å; E89-H120 PolarHBondContact OE2-ND1 3.43Å; E89-E123 HydrophobicContact CB-CG 4.27Å; E89-E123 HydrophobicContact CG-CB 3.97Å; E89-E123 HydrophobicContact CG-CG 4.12Å; E89-L124 HydrophobicContact CG-CB 3.83Å
90K98.3Very high98.2Very high117 Ų11735 Ų3551%0.50919%0.187SC..Hα-helixtrans-70.3-45.5178.5-68.1177172.7-71.20112.1L2 V53 F87 L88 F92 A93 E94L2-K90 HydrophobicContact CD2-CD 4.15Å; V53-K90 HydrophobicContact CG1-CB 4.49Å; V53-K90 HydrophobicContact CG2-CB 3.77Å; F87-K90 PolarHBondContact O-N 2.88Å; L88-K90 VanDerWaalsContact C-N 3.27Å; L88-K90 PolarHBondContact O-N 2.88Å; K90-F92 PolarHBondContact O-N 2.95Å; K90-A93 PolarHBondContact O-N 3.12Å; K90-E94 PolarHBondContact O-N 3.45Å
91L98.6Very high98.3Very high0 Ų038 Ų380%020%0.2CC..Hα-helixtrans-60.1-46.9179.4177.763000111.7L24 V53 M56 V57 I60 V76 F87 L88 E94 L95L24-L91 HydrophobicContact CD2-CD2 3.83Å; V53-L91 HydrophobicContact CG1-CB 4.32Å; V53-L91 HydrophobicContact CG1-CD1 4.26Å; M56-L91 HydrophobicContact CB-CD1 3.91Å; V57-L91 HydrophobicContact CG2-CD1 3.94Å; I60-L91 HydrophobicContact CD1-CD1 4.46Å; V76-L91 HydrophobicContact CG2-CD2 4.41Å; F87-L91 HydrophobicContact CE1-CD2 3.86Å; F87-L91 HydrophobicContact CZ-CD2 4.2Å; F87-L91 WeakPolarHBondContact O-CB 3.33Å; F87-L91 PolarHBondContact O-N 2.88Å; L88-L91 PolarHBondContact O-N 2.88Å; L91-E94 PolarHBondContact O-N 3.05Å; L91-L95 HydrophobicContact CD1-CD1 3.95Å; L91-L95 HydrophobicContact CD1-CG 4.13Å; L91-L95 HydrophobicContact CG-CD1 3.85Å; L91-L95 HydrophobicContact CG-CG 4.42Å; L91-L95 WeakPolarHBondContact O-CB 3.35Å; L91-L95 WeakPolarHBondContact O-CG 3.35Å; L91-L95 PolarHBondContact O-N 3.4Å
92F98.8Very high98.3Very high0 Ų037.9 Ų37.90%020%0.2CC..Hα-helixtrans-68.4-37.6-180-81.515.7000111.7V76 L88 K90 L95 K96 T102 C103 L104 L124 H127 T128V76-F92 HydrophobicContact CB-CE1 4.36Å; V76-F92 HydrophobicContact CB-CZ 4.27Å; V76-F92 HydrophobicContact CG2-CE1 3.42Å; V76-F92 VanDerWaalsContact CG2-CE1 3.42Å; V76-F92 HydrophobicContact CG2-CZ 3.81Å; L88-F92 WeakPolarHBondContact O-CB 3.36Å; L88-F92 PolarHBondContact O-N 2.77Å; K90-F92 PolarHBondContact O-N 2.95Å; F92-L95 HydrophobicContact CD1-CD1 4.3Å; F92-L95 PolarHBondContact O-N 2.84Å; F92-K96 VanDerWaalsContact O-CB 3.3Å; F92-K96 WeakPolarHBondContact O-CB 3.38Å; F92-K96 WeakPolarHBondContact O-CG 3.39Å; F92-K96 PolarHBondContact O-N 2.78Å; F92-T102 HydrophobicContact CB-CG2 4.11Å; F92-T102 HydrophobicContact CD1-CG2 3.9Å; F92-T102 HydrophobicContact CD2-CG2 4.18Å; F92-T102 HydrophobicContact CE1-CG2 4.3Å; F92-T102 HydrophobicContact CG-CG2 3.82Å; F92-C103 WeakPolarHBondContact CZ-O 3.45Å; F92-L104 HydrophobicContact CE2-CB 4.38Å; F92-L124 HydrophobicContact CB-CD1 4.23Å; F92-L124 HydrophobicContact CD2-CD1 3.47Å; F92-L124 VanDerWaalsContact CD2-CD1 3.47Å; F92-L124 HydrophobicContact CE2-CD1 4.02Å; F92-L124 HydrophobicContact CG-CD1 3.96Å; F92-H127 HydrophobicContact CB-CB 3.72Å; F92-H127 WeakPolarHBondContact CD2-O 3.26Å; F92-T128 WeakPolarHBondContact CD2-OG1 3.44Å; F92-T128 HydrophobicContact CE2-CG2 4.2Å
93A98.6Very high98.3Very high20 Ų2037.8 Ų37.817%0.16520%0.199CC..Hα-helixtrans-56.8-51.4172.500000111.8E89 K90 L95 K96 E97E89-A93 WeakPolarHBondContact O-CB 3.3Å; E89-A93 PolarHBondContact O-N 2.55Å; E89-A93 VanDerWaalsContact O-N 3.12Å; K90-A93 PolarHBondContact O-N 3.12Å; A93-L95 PolarHBondContact O-N 3.35Å; A93-K96 PolarHBondContact O-N 3.18Å; A93-E97 WeakPolarHBondContact O-CG 3.35Å; A93-E97 PolarHBondContact O-N 3.15Å
94E98.4Very high98.4Very high58 Ų5835 Ų3527%0.27119%0.185SC..Hα-helixtrans-66.5-38.2-179.6-71.3-174.4-151.200113.1V53 V57 K90 L91 E97 N98V53-E94 HydrophobicContact CG1-CB 4.42Å; V53-E94 HydrophobicContact CG1-CG 4.21Å; V53-E94 WeakPolarHBondContact CG1-OE1 3.43Å; V53-E94 WeakPolarHBondContact CG1-OE2 3.41Å; V57-E94 HydrophobicContact CG2-CB 3.82Å; V57-E94 WeakPolarHBondContact CG2-OE2 3.46Å; K90-E94 PolarHBondContact O-N 3.45Å; L91-E94 PolarHBondContact O-N 3.05Å; E94-E97 PolarHBondContact O-N 3.2Å; E94-N98 PolarHBondContact O-N 3.01Å; E94-N98 PolarHBondContact O-ND2 3.39Å
95L98.6Very high98.4Very high0 Ų034.6 Ų34.60%018%0.183CC..Hα-helixtrans-63.8-42.2174.5-72.1173.5000111.7V57 I60 V74 L91 F92 A93 N98 G99 V100 T102V57-L95 HydrophobicContact CG2-CD2 4.47Å; I60-L95 HydrophobicContact CB-CD2 4.31Å; I60-L95 HydrophobicContact CD1-CD1 4.37Å; I60-L95 HydrophobicContact CD1-CD2 4.09Å; I60-L95 HydrophobicContact CG2-CD2 3.76Å; V74-L95 HydrophobicContact CB-CD1 3.89Å; V74-L95 HydrophobicContact CG1-CD1 3.81Å; V74-L95 HydrophobicContact CG2-CD1 3.87Å; V74-L95 HydrophobicContact CG2-CD2 4.17Å; L91-L95 HydrophobicContact CD1-CD1 3.95Å; L91-L95 HydrophobicContact CD1-CG 4.13Å; L91-L95 HydrophobicContact CG-CD1 3.85Å; L91-L95 HydrophobicContact CG-CG 4.42Å; L91-L95 WeakPolarHBondContact O-CB 3.35Å; L91-L95 WeakPolarHBondContact O-CG 3.35Å; L91-L95 PolarHBondContact O-N 3.4Å; F92-L95 HydrophobicContact CD1-CD1 4.3Å; F92-L95 PolarHBondContact O-N 2.84Å; A93-L95 PolarHBondContact O-N 3.35Å; L95-N98 CarbonylContact O-C 3.57Å; L95-N98 PolarHBondContact O-N 2.83Å; L95-N98 VanDerWaalsContact O-N 3.14Å; L95-G99 PolarHBondContact O-N 2.62Å; L95-V100 HydrophobicContact CB-CB 4.15Å; L95-V100 HydrophobicContact CB-CG1 4.48Å; L95-V100 HydrophobicContact CD2-CB 4.4Å; L95-V100 HydrophobicContact CD2-CG1 4.38Å; L95-V100 HydrophobicContact CD2-CG2 4.43Å; L95-V100 WeakPolarHBondContact O-CB 3.43Å; L95-V100 PolarHBondContact O-N 2.93Å; L95-T102 HydrophobicContact CB-CG2 4Å; L95-T102 HydrophobicContact CD1-CG2 4.39Å
96K98.2Very high98.4Very high74 Ų7434 Ų3432%0.32218%0.181SC..Hα-helixtrans-64.7-39.5176.2-74-64.8-62-177.70112.1F92 A93 N98 G99 T102 H127 D129F92-K96 VanDerWaalsContact O-CB 3.3Å; F92-K96 WeakPolarHBondContact O-CB 3.38Å; F92-K96 WeakPolarHBondContact O-CG 3.39Å; F92-K96 PolarHBondContact O-N 2.78Å; A93-K96 PolarHBondContact O-N 3.18Å; K96-N98 PolarHBondContact O-N 3.07Å; K96-G99 PolarHBondContact O-N 2.95Å; K96-T102 HydrophobicContact CD-CG2 4.1Å; K96-T102 HydrophobicContact CG-CG2 4.05Å; K96-H127 HydrophobicContact CG-CB 3.98Å; K96-D129 WeakPolarHBondContact CD-OD2 3.29Å; K96-D129 IonicContact NZ-OD1 3.95Å; K96-D129 PolarHBondContact NZ-OD1 3.17Å; K96-D129 IonicContact NZ-OD2 2.71Å; K96-D129 PolarHBondContact NZ-OD2 3.46Å
97E98.1Very high98.5Very high163 Ų16332.1 Ų32.176%0.76217%0.168SC*.Hα-helixtrans-59.8-30173.3-74.8179.8179.300112.3A93 E94 G99A93-E97 WeakPolarHBondContact O-CG 3.35Å; A93-E97 PolarHBondContact O-N 3.15Å; E94-E97 PolarHBondContact O-N 3.2Å; E97-G99 VanDerWaalsContact C-N 3.31Å
98N98.1Very high98.5Very high69 Ų6931.9 Ų31.937%0.36917%0.167SC..THydrogen-bonded Turntrans-89.611.2174.3-73.9-85.4000113.9L61 K64 E94 L95 K96 V100L61-N98 HydrophobicContact CD2-CB 3.53Å; K64-N98 WeakPolarHBondContact CE-O 3.32Å; E94-N98 PolarHBondContact O-N 3.01Å; E94-N98 PolarHBondContact O-ND2 3.39Å; L95-N98 CarbonylContact O-C 3.57Å; L95-N98 PolarHBondContact O-N 2.83Å; L95-N98 VanDerWaalsContact O-N 3.14Å; K96-N98 PolarHBondContact O-N 3.07Å; N98-V100 VanDerWaalsContact C-N 3.3Å; N98-V100 HydrophobicContact CB-CG2 4.48Å; N98-V100 PolarHBondContact O-N 2.8Å
99G97.8Very high98.4Very high53 Ų5332.2 Ų32.255%0.54617%0.171SC..THydrogen-bonded Turntrans67.925.6177.700000114.3L95 K96 E97L95-G99 PolarHBondContact O-N 2.62Å; K96-G99 PolarHBondContact O-N 2.95Å; E97-G99 VanDerWaalsContact C-N 3.31Å
100V98.6Very high98.4Very high3 Ų331.7 Ų31.72%0.01817%0.17CC..  trans-91.6130.5176.61780000109.7L61 K64 F67 V74 L95 N98L61-V100 HydrophobicContact CD2-CG2 4.18Å; K64-V100 HydrophobicContact CG-CG2 4.48Å; F67-V100 HydrophobicContact CD2-CG1 4.13Å; F67-V100 HydrophobicContact CE2-CG1 4.35Å; V74-V100 HydrophobicContact CB-CG1 4.3Å; V74-V100 HydrophobicContact CG2-CG1 3.72Å; L95-V100 HydrophobicContact CB-CB 4.15Å; L95-V100 HydrophobicContact CB-CG1 4.48Å; L95-V100 HydrophobicContact CD2-CB 4.4Å; L95-V100 HydrophobicContact CD2-CG1 4.38Å; L95-V100 HydrophobicContact CD2-CG2 4.43Å; L95-V100 WeakPolarHBondContact O-CB 3.43Å; L95-V100 PolarHBondContact O-N 2.93Å; N98-V100 VanDerWaalsContact C-N 3.3Å; N98-V100 HydrophobicContact CB-CG2 4.48Å; N98-V100 PolarHBondContact O-N 2.8Å
101H98.6Very high98.4Very high62 Ų6226.4 Ų26.429%0.28715%0.148SC..  trans-69.8129.6173.5-179.9-60.9000110.7R21 G72 G73 V74 D129R21-H101 PolarHBondContact NH2-ND1 3.48Å; R21-H101 PolarHBondContact NH2-O 3.43Å; G72-H101 WeakPolarHBondContact O-CB 3.43Å; G73-H101 WeakPolarHBondContact CA-O 3.29Å; V74-H101 PolarHBondContact N-O 3Å; H101-D129 WeakPolarHBondContact CA-OD2 3.4Å; H101-D129 VanDerWaalsContact CE1-CB 3.49Å; H101-D129 WeakPolarHBondContact CE1-CB 3.49Å; H101-D129 IonicContact CG-OD2 2.65Å; H101-D129 WeakPolarHBondContact NE2-CB 3.15Å
102T98.8Very high98.3Very high0 Ų029.3 Ų29.30%016%0.164CC..EExtended strand (participates in β ladder)trans-105.6138.5-177.4540000111.6F92 L95 K96 H127 T128 D129 L130F92-T102 HydrophobicContact CB-CG2 4.11Å; F92-T102 HydrophobicContact CD1-CG2 3.9Å; F92-T102 HydrophobicContact CD2-CG2 4.18Å; F92-T102 HydrophobicContact CE1-CG2 4.3Å; F92-T102 HydrophobicContact CG-CG2 3.82Å; L95-T102 HydrophobicContact CB-CG2 4Å; L95-T102 HydrophobicContact CD1-CG2 4.39Å; K96-T102 HydrophobicContact CD-CG2 4.1Å; K96-T102 HydrophobicContact CG-CG2 4.05Å; T102-H127 WeakPolarHBondContact CB-O 3.44Å; T102-H127 PolarHBondContact OG1-O 3.26Å; T102-T128 WeakPolarHBondContact OG1-CA 3.36Å; T102-D129 PolarHBondContact N-OD2 2.92Å; T102-D129 WeakPolarHBondContact O-CB 3.49Å; T102-D129 PolarHBondContact O-N 3.35Å; T102-D129 PolarHBondContact OG1-N 3.2Å; T102-D129 PolarHBondContact OG1-OD2 2.95Å; T102-L130 PolarHBondContact O-N 2.85Å
103C98.8Very high98.2Very high0 Ų034.4 Ų34.40%019%0.191CC..EExtended strand (participates in β ladder)trans-134.2131179.7-175.40000109.6R21 V74 T75 V76 F92 L130R21-C103 VanDerWaalsContact NH2-CB 3.29Å; V74-C103 PolarHBondContact O-N 2.83Å; T75-C103 CarbonylContact C-O 3.56Å; T75-C103 VanDerWaalsContact CA-O 3.26Å; T75-C103 WeakPolarHBondContact CA-O 3.5Å; T75-C103 HydrophobicContact CG2-CB 4.46Å; T75-C103 WeakPolarHBondContact OG1-CB 3.26Å; V76-C103 PolarHBondContact N-O 2.86Å; F92-C103 WeakPolarHBondContact CZ-O 3.45Å; C103-L130 VanDerWaalsContact CA-O 3.3Å; C103-L130 WeakPolarHBondContact CA-O 3.42Å; C103-L130 HydrophobicContact CB-CB 4.49Å
104L98.8Very high98.1Very high0 Ų037.1 Ų37.10%021%0.206CC..EExtended strand (participates in β ladder)trans-104123.9174.6-179.671.1000108.9P81 L82 L88 F92 T106 L124 T128 L130 I131 L132P81-L104 HydrophobicContact CB-CD1 3.6Å; P81-L104 HydrophobicContact CG-CD1 4.33Å; L82-L104 HydrophobicContact CD2-CD2 3.72Å; L82-L104 HydrophobicContact CG-CD2 4.29Å; L88-L104 HydrophobicContact CD2-CD1 3.68Å; F92-L104 HydrophobicContact CE2-CB 4.38Å; L104-T106 HydrophobicContact CD2-CG2 4.04Å; L104-T106 HydrophobicContact CG-CG2 4.17Å; L104-L124 HydrophobicContact CD2-CD2 4.33Å; L104-T128 HydrophobicContact CB-CG2 4Å; L104-L130 PolarHBondContact N-O 3.09Å; L104-I131 HydrophobicContact CB-CG1 4.27Å; L104-I131 HydrophobicContact CD2-CD1 4.33Å; L104-I131 HydrophobicContact CD2-CG1 4.46Å; L104-I131 CarbonylContact O-C 3.52Å; L104-I131 WeakPolarHBondContact O-CA 3.26Å; L104-L132 PolarHBondContact O-N 3.49Å
105D98.6Very high98.1Very high12 Ų1243 Ų436%0.06423%0.231CC..EExtended strand (participates in β ladder)trans-110.4106.7175.9-178.731.4000109.5T75 V76 S77 P81 L132 R171T75-D105 HydrophobicContact CG2-CB 3.74Å; V76-D105 PolarHBondContact O-N 2.89Å; S77-D105 WeakPolarHBondContact CB-OD2 3.45Å; S77-D105 PolarHBondContact OG-OD2 3.2Å; P81-D105 WeakPolarHBondContact CD-O 3.43Å; P81-D105 VanDerWaalsContact CG-O 3.27Å; P81-D105 WeakPolarHBondContact CG-O 3.48Å; D105-L132 HydrophobicContact CB-CB 4.21Å; D105-L132 HydrophobicContact CB-CD1 4.18Å; D105-L132 HydrophobicContact CB-CG 4.47Å; D105-L132 WeakPolarHBondContact OD1-CB 3.34Å; D105-R171 IonicContact OD1-NH1 2.83Å; D105-R171 IonicContact OD2-NH1 3.74Å
106T98.7Very high98Very high1 Ų145.6 Ų45.61%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-137.5144.1-164.3-179.80000112.6E80 L82 L104 A108 I131 L132 L133 D134E80-T106 VanDerWaalsContact CD-OG1 3.27Å; E80-T106 PolarHBondContact OE1-OG1 2.84Å; E80-T106 PolarHBondContact OE2-OG1 3.23Å; L82-T106 HydrophobicContact CD1-CG2 4.3Å; L82-T106 VanDerWaalsContact CD1-OG1 3.27Å; L82-T106 WeakPolarHBondContact CD1-OG1 3.35Å; L104-T106 HydrophobicContact CD2-CG2 4.04Å; L104-T106 HydrophobicContact CG-CG2 4.17Å; T106-A108 VanDerWaalsContact C-N 3.34Å; T106-A108 PolarHBondContact OG1-N 3Å; T106-I131 HydrophobicContact CG2-CG2 3.86Å; T106-L132 PolarHBondContact N-O 2.94Å; T106-L133 HydrophobicContact CG2-CD1 4.19Å; T106-D134 PolarHBondContact O-N 3.38Å; T106-D134 VanDerWaalsContact O-N 3.09Å
107S98.3Very high98Very high10 Ų1042.8 Ų42.87%0.0724%0.239CC..  trans-84.9-12.7167.675.80000113.2L31 E80 G109 I154L31-S107 WeakPolarHBondContact CD1-OG 3.46Å; E80-S107 WeakPolarHBondContact OE2-CA 3.16Å; E80-S107 WeakPolarHBondContact OE2-CB 3.29Å; E80-S107 PolarHBondContact OE2-N 2.97Å; E80-S107 PolarHBondContact OE2-OG 2.89Å; S107-G109 PolarHBondContact O-N 2.91Å; S107-G109 PolarHBondContact OG-N 2.61Å; S107-I154 WeakPolarHBondContact O-CD1 3.29Å
108A98.4Very high97.9Very high0 Ų038.5 Ų38.50%022%0.219CC..  trans51.818.7-170.400000114.3E80 L82 T106 C110 A111 L133 H153 I154 F157E80-A108 PolarHBondContact OE2-N 3.16Å; E80-A108 VanDerWaalsContact OE2-N 3.12Å; L82-A108 HydrophobicContact CD1-CB 4.44Å; T106-A108 VanDerWaalsContact C-N 3.34Å; T106-A108 PolarHBondContact OG1-N 3Å; A108-C110 PolarHBondContact O-N 3.37Å; A108-A111 HydrophobicContact CB-CB 4.07Å; A108-A111 WeakPolarHBondContact O-CB 3.29Å; A108-A111 PolarHBondContact O-N 2.66Å; A108-L133 HydrophobicContact CB-CD1 3.8Å; A108-H153 PolarHBondContact O-CD2 3.33Å; A108-I154 HydrophobicContact CB-CG1 4.44Å; A108-I154 HydrophobicContact CB-CG2 4.31Å; A108-F157 HydrophobicContact CB-CB 4.46Å; A108-F157 HydrophobicContact CB-CD1 3.44Å; A108-F157 VanDerWaalsContact CB-CD1 3.44Å; A108-F157 HydrophobicContact CB-CE1 3.87Å; A108-F157 HydrophobicContact CB-CG 4.13Å
109G97.8Very high97.9Very high7 Ų742.8 Ų42.87%0.07223%0.23CC..THydrogen-bonded Turntrans-67-7.2-176.900000114.8S107 H153S107-G109 PolarHBondContact O-N 2.91Å; S107-G109 PolarHBondContact OG-N 2.61Å; G109-H153 WeakPolarHBondContact CA-NE2 3.45Å; G109-H153 PolarHBondContact O-NE2 2.89Å
110C97.5Very high97.9Very high17 Ų1742.1 Ų42.112%0.11521%0.213CC..THydrogen-bonded Turntrans-107.4-1.6171.368.50000113.4L30 E80 L82 L83 A108 N112L30-C110 HydrophobicContact CD1-CB 3.68Å; L30-C110 HydrophobicContact CG-CB 4.46Å; E80-C110 HydrophobicContact CG-CB 4.49Å; L82-C110 WeakPolarHBondContact CB-SG 3.27Å; L83-C110 HydrophobicContact CD2-CB 3.58Å; L83-C110 HydrophobicContact CG-CB 4.39Å; A108-C110 PolarHBondContact O-N 3.37Å; C110-N112 PolarHBondContact O-ND2 3.04Å
111A98Very high97.9Very high6 Ų642.3 Ų42.35%0.0521%0.214CC..  trans-61.8137.3-177.700000111.4A108 F117 H153 F157A108-A111 HydrophobicContact CB-CB 4.07Å; A108-A111 WeakPolarHBondContact O-CB 3.29Å; A108-A111 PolarHBondContact O-N 2.66Å; A111-F117 HydrophobicContact CB-CE1 4.18Å; A111-F117 HydrophobicContact CB-CE2 4.27Å; A111-F117 HydrophobicContact CB-CZ 3.7Å; A111-H153 PolarHBondContact O-CD2 3.23Å; A111-F157 HydrophobicContact CB-CB 3.98Å; A111-F157 HydrophobicContact CB-CD2 4.01Å; A111-F157 HydrophobicContact CB-CG 3.97Å
112N97.5Very high97.8Very high61 Ų6144.4 Ų44.433%0.32622%0.223SC..  trans-156.4171.1-175.963.977.3000111.8C110 T114 F117C110-N112 PolarHBondContact O-ND2 3.04Å; N112-T114 VanDerWaalsContact OD1-CB 3.25Å; N112-T114 WeakPolarHBondContact OD1-CB 3.27Å; N112-T114 WeakPolarHBondContact OD1-CG2 3.23Å; N112-T114 PolarHBondContact OD1-N 3.22Å; N112-T114 PolarHBondContact OD1-OG1 2.93Å; N112-F117 WeakPolarHBondContact O-CD1 3.22Å; N112-F117 VanDerWaalsContact OD1-CB 3.27Å; N112-F117 WeakPolarHBondContact OD1-CB 3.37Å
113D95.3Very high97.8Very high107 Ų10748 Ų4857%0.57224%0.241SC*.  trans-93.613.9-175.4-64.2-45.9000114.2Q118 K160D113-Q118 PolarHBondContact O-NE2 3.43Å; D113-K160 IonicContact OD1-NZ 3.27Å; D113-K160 PolarHBondContact OD1-NZ 3.39Å
114T97.5Very high97.7Very high77 Ų7748 Ų4847%0.47224%0.241SC..  trans-69.3146.3177.368.50000110.9N112 A116 F117 Q118N112-T114 VanDerWaalsContact OD1-CB 3.25Å; N112-T114 WeakPolarHBondContact OD1-CB 3.27Å; N112-T114 WeakPolarHBondContact OD1-CG2 3.23Å; N112-T114 PolarHBondContact OD1-N 3.22Å; N112-T114 PolarHBondContact OD1-OG1 2.93Å; T114-A116 PolarHBondContact O-N 3.27Å; T114-F117 PolarHBondContact O-N 3.34Å; T114-F117 VanDerWaalsContact O-N 3.15Å; T114-F117 WeakPolarHBondContact OG1-CB 3.31Å; T114-F117 PolarHBondContact OG1-N 2.89Å; T114-Q118 WeakPolarHBondContact O-CG 3.32Å; T114-Q118 PolarHBondContact O-N 2.96Å
115K97.1Very high97.7Very high182 Ų18250.4 Ų50.479%0.79125%0.252SS*.Hα-helixtrans-56.5-32.9174.4-66-174.4178.8-176.90112.6R119K115-R119 WeakPolarHBondContact O-CB 3.45Å; K115-R119 PolarHBondContact O-N 3.39Å
116A97.1Very high97.6Very high53 Ų5356 Ų5644%0.43828%0.275SS..Hα-helixtrans-66.2-49177.600000111.2T114 R119 H120T114-A116 PolarHBondContact O-N 3.27Å; A116-R119 PolarHBondContact O-N 2.91Å; A116-H120 PolarHBondContact O-CD2 3.01Å; A116-H120 PolarHBondContact O-N 3.22Å; A116-H120 VanDerWaalsContact O-N 3.14Å
117F97.9Very high97.6Very high16 Ų1658.2 Ų58.27%0.0729%0.286CS..Hα-helixtrans-59.5-48.6176.4-176.1-84.6000111.2L82 M85 A111 N112 T114 R119 H120 F121 F157L82-F117 HydrophobicContact CD1-CZ 4.26Å; M85-F117 HydrophobicContact CE-CD2 3.43Å; M85-F117 VanDerWaalsContact CE-CD2 3.43Å; M85-F117 HydrophobicContact CE-CE2 3.56Å; M85-F117 HydrophobicContact CE-CG 4.13Å; M85-F117 HydrophobicContact CE-CZ 4.37Å; M85-F117 HydrophobicContact SD-CE2 4.21Å; A111-F117 HydrophobicContact CB-CE1 4.18Å; A111-F117 HydrophobicContact CB-CE2 4.27Å; A111-F117 HydrophobicContact CB-CZ 3.7Å; N112-F117 WeakPolarHBondContact O-CD1 3.22Å; N112-F117 VanDerWaalsContact OD1-CB 3.27Å; N112-F117 WeakPolarHBondContact OD1-CB 3.37Å; T114-F117 PolarHBondContact O-N 3.34Å; T114-F117 VanDerWaalsContact O-N 3.15Å; T114-F117 WeakPolarHBondContact OG1-CB 3.31Å; T114-F117 PolarHBondContact OG1-N 2.89Å; F117-R119 PolarHBondContact O-N 3.44Å; F117-H120 PolarHBondContact O-N 3.4Å; F117-F121 HydrophobicContact CD1-CB 4.45Å; F117-F121 HydrophobicContact CE1-CB 4.14Å; F117-F121 HydrophobicContact CE1-CG 4.42Å; F117-F121 WeakPolarHBondContact O-CB 3.47Å; F117-F121 PolarHBondContact O-N 2.98Å; F117-F157 HydrophobicContact CE1-CD2 4.26Å; F117-F157 HydrophobicContact CE1-CE2 4.04Å; F117-F157 HydrophobicContact CZ-CE2 4.18Å
118Q96.7Very high97.6Very high73 Ų7358.1 Ų58.134%0.34129%0.285SS..Hα-helixtrans-57.6-49179.7-70.4173.6-2.200112.1D113 T114 H120 F121 E122D113-Q118 PolarHBondContact O-NE2 3.43Å; T114-Q118 WeakPolarHBondContact O-CG 3.32Å; T114-Q118 PolarHBondContact O-N 2.96Å; Q118-H120 PolarHBondContact O-N 3.46Å; Q118-F121 PolarHBondContact O-N 3.36Å; Q118-E122 WeakPolarHBondContact O-CB 3.5Å; Q118-E122 VanDerWaalsContact O-CG 3.29Å; Q118-E122 WeakPolarHBondContact O-CG 3.42Å; Q118-E122 PolarHBondContact O-N 3.43Å
119R97.6Very high97.6Very high158 Ų15860.4 Ų60.460%0.59630%0.297SS*.Hα-helixtrans-58.6-46.8178.8-178.7-171.967.9-171.9-0.2112.6K115 A116 F117 E123K115-R119 WeakPolarHBondContact O-CB 3.45Å; K115-R119 PolarHBondContact O-N 3.39Å; A116-R119 PolarHBondContact O-N 2.91Å; F117-R119 PolarHBondContact O-N 3.44Å; R119-E123 PolarHBondContact O-N 3.31Å
120H98.2Very high97.7Very high39 Ų3960.3 Ų60.318%0.18129%0.294CS..Hα-helixtrans-67.6-42-179.1-80.4-59.5000111.5M85 E89 A116 F117 Q118 E123 L124M85-H120 HydrophobicContact CB-CB 3.95Å; M85-H120 HydrophobicContact CE-CB 3.95Å; M85-H120 HydrophobicContact SD-CB 3.96Å; E89-H120 WeakPolarHBondContact OE1-CA 3.47Å; E89-H120 WeakPolarHBondContact OE1-CB 3.45Å; E89-H120 IonicContact OE1-CE1 3.22Å; E89-H120 IonicContact OE1-CG 3.74Å; E89-H120 VanDerWaalsContact OE1-CG 3.22Å; E89-H120 IonicContact OE1-ND1 2.89Å; E89-H120 PolarHBondContact OE1-ND1 3.08Å; E89-H120 IonicContact OE2-ND1 3.39Å; E89-H120 PolarHBondContact OE2-ND1 3.43Å; A116-H120 PolarHBondContact O-CD2 3.01Å; A116-H120 PolarHBondContact O-N 3.22Å; A116-H120 VanDerWaalsContact O-N 3.14Å; F117-H120 PolarHBondContact O-N 3.4Å; Q118-H120 PolarHBondContact O-N 3.46Å; H120-E123 PolarHBondContact O-N 2.98Å; H120-L124 WeakPolarHBondContact O-CB 3.38Å; H120-L124 PolarHBondContact O-N 2.68Å
121F98.1Very high97.8Very high8 Ų859.5 Ų59.54%0.03529%0.289CS..Hα-helixtrans-66-42.8177-173.6-103.2000112.5L82 M85 F117 Q118 E123 L124 Q125 I131 F157 L161 M164L82-F121 HydrophobicContact CD2-CD2 4.06Å; L82-F121 HydrophobicContact CD2-CE2 4.33Å; M85-F121 HydrophobicContact SD-CB 4.01Å; M85-F121 HydrophobicContact SD-CD2 4.42Å; F117-F121 HydrophobicContact CD1-CB 4.45Å; F117-F121 HydrophobicContact CE1-CB 4.14Å; F117-F121 HydrophobicContact CE1-CG 4.42Å; F117-F121 WeakPolarHBondContact O-CB 3.47Å; F117-F121 PolarHBondContact O-N 2.98Å; Q118-F121 PolarHBondContact O-N 3.36Å; F121-E123 VanDerWaalsContact C-N 3.28Å; F121-E123 PolarHBondContact O-N 3.26Å; F121-L124 PolarHBondContact O-N 3.07Å; F121-Q125 HydrophobicContact CE1-CB 4.2Å; F121-Q125 HydrophobicContact CE1-CG 4.3Å; F121-Q125 HydrophobicContact CZ-CB 4.3Å; F121-Q125 HydrophobicContact CZ-CG 4.41Å; F121-Q125 WeakPolarHBondContact O-CB 3.22Å; F121-Q125 PolarHBondContact O-N 3.01Å; F121-I131 HydrophobicContact CE2-CD1 4.31Å; F121-I131 HydrophobicContact CZ-CD1 3.97Å; F121-F157 HydrophobicContact CD1-CE2 4.02Å; F121-F157 AromaticContact CD2-CE2 3.97Å; F121-F157 HydrophobicContact CD2-CE2 3.97Å; F121-F157 AromaticContact CD2-CZ 3.93Å; F121-F157 HydrophobicContact CD2-CZ 3.93Å; F121-F157 AromaticContact CE1-CE2 3.84Å; F121-F157 HydrophobicContact CE1-CE2 3.84Å; F121-F157 HydrophobicContact CE1-CZ 4.07Å; F121-F157 AromaticContact CE2-CE2 3.82Å; F121-F157 HydrophobicContact CE2-CE2 3.82Å; F121-F157 AromaticContact CE2-CZ 3.4Å; F121-F157 HydrophobicContact CE2-CZ 3.4Å; F121-F157 VanDerWaalsContact CE2-CZ 3.4Å; F121-F157 HydrophobicContact CG-CE2 4.09Å; F121-F157 HydrophobicContact CG-CZ 4.49Å; F121-F157 AromaticContact CZ-CE2 3.75Å; F121-F157 HydrophobicContact CZ-CE2 3.75Å; F121-F157 AromaticContact CZ-CZ 3.49Å; F121-F157 HydrophobicContact CZ-CZ 3.49Å; F121-F157 VanDerWaalsContact CZ-CZ 3.49Å; F121-L161 HydrophobicContact CE1-CD2 3.73Å; F121-L161 HydrophobicContact CZ-CD2 3.45Å; F121-L161 VanDerWaalsContact CZ-CD2 3.45Å; F121-M164 HydrophobicContact CE1-SD 4.37Å
122E97.1Very high97.8Very high105 Ų10559.2 Ų59.249%0.49129%0.287SS..Hα-helixtrans-59.3-37.7175.5-77.3171.6-169.500112.3Q118 K126Q118-E122 WeakPolarHBondContact O-CB 3.5Å; Q118-E122 VanDerWaalsContact O-CG 3.29Å; Q118-E122 WeakPolarHBondContact O-CG 3.42Å; Q118-E122 PolarHBondContact O-N 3.43Å; E122-K126 WeakPolarHBondContact O-CG 3.33Å
123E98Very high97.8Very high77 Ų7756.3 Ų56.336%0.3627%0.271SS..Hα-helixtrans-70.2-44.5176.1-167.462.4-155.500111.7E89 R119 H120 F121 Q125 K126E89-E123 HydrophobicContact CB-CG 4.27Å; E89-E123 HydrophobicContact CG-CB 3.97Å; E89-E123 HydrophobicContact CG-CG 4.12Å; R119-E123 PolarHBondContact O-N 3.31Å; H120-E123 PolarHBondContact O-N 2.98Å; F121-E123 VanDerWaalsContact C-N 3.28Å; F121-E123 PolarHBondContact O-N 3.26Å; E123-Q125 VanDerWaalsContact C-N 3.32Å; E123-Q125 PolarHBondContact O-N 3.48Å; E123-K126 PolarHBondContact O-N 2.96Å; E123-K126 IonicContact OE1-NZ 3.66Å; E123-K126 IonicContact OE2-NZ 3.93Å; E123-K126 PolarHBondContact OE2-NZ 2.83Å
124L98.4Very high98Very high0 Ų052 Ų520%025%0.248CC..Hα-helixtrans-62-41.7177.6177.555.8000111.8L82 M85 L88 E89 F92 L104 H120 F121 K126 H127 T128L82-L124 HydrophobicContact CD2-CD2 4.06Å; M85-L124 HydrophobicContact CG-CD2 4.05Å; L88-L124 HydrophobicContact CB-CD1 3.75Å; L88-L124 HydrophobicContact CB-CD2 4.2Å; L88-L124 HydrophobicContact CD2-CD2 4.16Å; E89-L124 HydrophobicContact CG-CB 3.83Å; F92-L124 HydrophobicContact CB-CD1 4.23Å; F92-L124 HydrophobicContact CD2-CD1 3.47Å; F92-L124 VanDerWaalsContact CD2-CD1 3.47Å; F92-L124 HydrophobicContact CE2-CD1 4.02Å; F92-L124 HydrophobicContact CG-CD1 3.96Å; L104-L124 HydrophobicContact CD2-CD2 4.33Å; H120-L124 WeakPolarHBondContact O-CB 3.38Å; H120-L124 PolarHBondContact O-N 2.68Å; F121-L124 PolarHBondContact O-N 3.07Å; L124-K126 VanDerWaalsContact C-N 3.3Å; L124-K126 PolarHBondContact O-N 3.4Å; L124-H127 CarbonylContact O-C 3.55Å; L124-H127 PolarHBondContact O-N 3.44Å; L124-H127 VanDerWaalsContact O-N 3.08Å; L124-T128 PolarHBondContact O-N 3.37Å; L124-T128 PolarHBondContact O-OG1 2.95Å
125Q97.4Very high98.1Very high50 Ų5048.5 Ų48.523%0.23423%0.226CC..Hα-helixtrans-62.4-34.4-175.6-174.4-90.1-29.600112.5F121 E123 H127 T128F121-Q125 HydrophobicContact CE1-CB 4.2Å; F121-Q125 HydrophobicContact CE1-CG 4.3Å; F121-Q125 HydrophobicContact CZ-CB 4.3Å; F121-Q125 HydrophobicContact CZ-CG 4.41Å; F121-Q125 WeakPolarHBondContact O-CB 3.22Å; F121-Q125 PolarHBondContact O-N 3.01Å; E123-Q125 VanDerWaalsContact C-N 3.32Å; E123-Q125 PolarHBondContact O-N 3.48Å; Q125-H127 PolarHBondContact O-N 2.78Å; Q125-H127 VanDerWaalsContact O-N 3.08Å; Q125-T128 PolarHBondContact O-N 3Å; Q125-T128 VanDerWaalsContact O-N 3.12Å
126K97.8Very high98.1Very high129 Ų12940.7 Ų40.756%0.56119%0.192SC*.THydrogen-bonded Turntrans-56.2-27.3174.4-67.9167.1-170171.70113.5E122 E123 L124E122-K126 WeakPolarHBondContact O-CG 3.33Å; E123-K126 PolarHBondContact O-N 2.96Å; E123-K126 IonicContact OE1-NZ 3.66Å; E123-K126 IonicContact OE2-NZ 3.93Å; E123-K126 PolarHBondContact OE2-NZ 2.83Å; L124-K126 VanDerWaalsContact C-N 3.3Å; L124-K126 PolarHBondContact O-N 3.4Å
127H98.5Very high98.2Very high48 Ų4838.3 Ų38.322%0.22217%0.172CC..THydrogen-bonded Turntrans-115.817-176.1-57.1-75.9000112.4F92 K96 T102 L124 Q125F92-H127 HydrophobicContact CB-CB 3.72Å; F92-H127 WeakPolarHBondContact CD2-O 3.26Å; K96-H127 HydrophobicContact CG-CB 3.98Å; T102-H127 WeakPolarHBondContact CB-O 3.44Å; T102-H127 PolarHBondContact OG1-O 3.26Å; L124-H127 CarbonylContact O-C 3.55Å; L124-H127 PolarHBondContact O-N 3.44Å; L124-H127 VanDerWaalsContact O-N 3.08Å; Q125-H127 PolarHBondContact O-N 2.78Å; Q125-H127 VanDerWaalsContact O-N 3.08Å
128T98.7Very high98.2Very high8 Ų838.7 Ų38.75%0.04918%0.175CC..  trans-111.8109.3179.8-59.30000110.4F92 T102 L104 L124 Q125 L130 I131 Q166F92-T128 WeakPolarHBondContact CD2-OG1 3.44Å; F92-T128 HydrophobicContact CE2-CG2 4.2Å; T102-T128 WeakPolarHBondContact OG1-CA 3.36Å; L104-T128 HydrophobicContact CB-CG2 4Å; L124-T128 PolarHBondContact O-N 3.37Å; L124-T128 PolarHBondContact O-OG1 2.95Å; Q125-T128 PolarHBondContact O-N 3Å; Q125-T128 VanDerWaalsContact O-N 3.12Å; T128-L130 WeakPolarHBondContact CG2-O 3.26Å; T128-I131 HydrophobicContact CG2-CD1 4.36Å; T128-I131 HydrophobicContact CG2-CG1 3.7Å; T128-Q166 PolarHBondContact O-NE2 2.84Å
129D98.6Very high98.3Very high47 Ų4737.9 Ų37.925%0.25117%0.173SC..SBendtrans-74.7-39-179.2-63.9-56.5000112.6K96 H101 T102K96-D129 WeakPolarHBondContact CD-OD2 3.29Å; K96-D129 IonicContact NZ-OD1 3.95Å; K96-D129 PolarHBondContact NZ-OD1 3.17Å; K96-D129 IonicContact NZ-OD2 2.71Å; K96-D129 PolarHBondContact NZ-OD2 3.46Å; H101-D129 WeakPolarHBondContact CA-OD2 3.4Å; H101-D129 VanDerWaalsContact CE1-CB 3.49Å; H101-D129 WeakPolarHBondContact CE1-CB 3.49Å; H101-D129 IonicContact CG-OD2 2.65Å; H101-D129 WeakPolarHBondContact NE2-CB 3.15Å; T102-D129 PolarHBondContact N-OD2 2.92Å; T102-D129 WeakPolarHBondContact O-CB 3.49Å; T102-D129 PolarHBondContact O-N 3.35Å; T102-D129 PolarHBondContact OG1-N 3.2Å; T102-D129 PolarHBondContact OG1-OD2 2.95Å
130L98.7Very high98.4Very high5 Ų532.3 Ų32.33%0.02616%0.155CC..EExtended strand (participates in β ladder)trans-138.5143.4-178179.964000111.2P18 T102 C103 L104 T128 L132 P167 W169P18-L130 HydrophobicContact CG-CD2 4.16Å; T102-L130 PolarHBondContact O-N 2.85Å; C103-L130 VanDerWaalsContact CA-O 3.3Å; C103-L130 WeakPolarHBondContact CA-O 3.42Å; C103-L130 HydrophobicContact CB-CB 4.49Å; L104-L130 PolarHBondContact N-O 3.09Å; T128-L130 WeakPolarHBondContact CG2-O 3.26Å; L130-L132 HydrophobicContact CD2-CD2 3.82Å; L130-L132 HydrophobicContact CG-CD2 4.15Å; L130-P167 HydrophobicContact CD1-CB 4.2Å; L130-W169 HydrophobicContact CD1-CG 4.06Å; L130-W169 HydrophobicContact CD2-CD2 4.06Å; L130-W169 HydrophobicContact CD2-CG 4.39Å; L130-W169 HydrophobicContact CD2-CZ2 4.25Å
131I98.8Very high98.4Very high0 Ų035.1 Ų35.10%017%0.171CC..EExtended strand (participates in β ladder)trans-116.2122.8167.5-58.1-174.8000109.5L104 T106 F121 T128 L133 L161 Q166 P167 V168 W169L104-I131 HydrophobicContact CB-CG1 4.27Å; L104-I131 HydrophobicContact CD2-CD1 4.33Å; L104-I131 HydrophobicContact CD2-CG1 4.46Å; L104-I131 CarbonylContact O-C 3.52Å; L104-I131 WeakPolarHBondContact O-CA 3.26Å; T106-I131 HydrophobicContact CG2-CG2 3.86Å; F121-I131 HydrophobicContact CE2-CD1 4.31Å; F121-I131 HydrophobicContact CZ-CD1 3.97Å; T128-I131 HydrophobicContact CG2-CD1 4.36Å; T128-I131 HydrophobicContact CG2-CG1 3.7Å; I131-L133 HydrophobicContact CG2-CB 4.26Å; I131-L161 HydrophobicContact CD1-CD1 4.1Å; I131-L161 HydrophobicContact CD1-CD2 3.84Å; I131-L161 HydrophobicContact CG2-CD1 4.33Å; I131-Q166 HydrophobicContact CD1-CG 3.67Å; I131-Q166 HydrophobicContact CG1-CG 3.94Å; I131-P167 PolarHBondContact N-O 2.65Å; I131-V168 HydrophobicContact CB-CG2 4.19Å; I131-V168 CarbonylContact O-C 3.59Å; I131-V168 VanDerWaalsContact O-CA 3.24Å; I131-V168 WeakPolarHBondContact O-CA 3.46Å; I131-W169 PolarHBondContact O-N 2.55Å
132L98.7Very high98.4Very high0 Ų037.6 Ų37.60%018%0.182CC..EExtended strand (participates in β ladder)trans-86.4115.7161.1-45.1-177.7000107L104 D105 T106 L130 W169L104-L132 PolarHBondContact O-N 3.49Å; D105-L132 HydrophobicContact CB-CB 4.21Å; D105-L132 HydrophobicContact CB-CD1 4.18Å; D105-L132 HydrophobicContact CB-CG 4.47Å; D105-L132 WeakPolarHBondContact OD1-CB 3.34Å; T106-L132 PolarHBondContact N-O 2.94Å; L130-L132 HydrophobicContact CD2-CD2 3.82Å; L130-L132 HydrophobicContact CG-CD2 4.15Å; L132-W169 WeakPolarHBondContact CA-O 3.39Å; L132-W169 HydrophobicContact CD2-CB 3.71Å; L132-W169 HydrophobicContact CD2-CD2 3.97Å; L132-W169 HydrophobicContact CD2-CE3 3.72Å; L132-W169 HydrophobicContact CD2-CG 4.01Å
133L98.8Very high98.5Very high1 Ų132.6 Ų32.61%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-115.5118.3-177.617764.9000110.2T106 A108 I131 I135 F157 A158 L161 V168 W169 I170 R171T106-L133 HydrophobicContact CG2-CD1 4.19Å; A108-L133 HydrophobicContact CB-CD1 3.8Å; I131-L133 HydrophobicContact CG2-CB 4.26Å; L133-I135 HydrophobicContact CD2-CD1 4.18Å; L133-I135 HydrophobicContact CG-CD1 4.21Å; L133-I135 PolarHBondContact O-N 3.33Å; L133-F157 HydrophobicContact CD1-CD1 4.33Å; L133-A158 HydrophobicContact CD2-CB 3.63Å; L133-L161 HydrophobicContact CD2-CD1 4.09Å; L133-V168 HydrophobicContact CB-CG1 4.05Å; L133-W169 PolarHBondContact N-O 2.93Å; L133-I170 HydrophobicContact CB-CD1 4.1Å; L133-I170 HydrophobicContact CD2-CD1 4.02Å; L133-I170 HydrophobicContact CG-CD1 4.26Å; L133-I170 WeakPolarHBondContact O-CA 3.33Å; L133-R171 PolarHBondContact O-N 3.02Å
134D98.5Very high98.5Very high17 Ų1732.2 Ų32.29%0.09116%0.158CC..EExtended strand (participates in β ladder)trans-74.2123.5172.6-80.4-114.2000111.7T106 K136 R171T106-D134 PolarHBondContact O-N 3.38Å; T106-D134 VanDerWaalsContact O-N 3.09Å; D134-K136 HydrophobicContact CB-CG 4.03Å; D134-K136 VanDerWaalsContact CG-NZ 3.26Å; D134-K136 IonicContact OD1-NZ 3.08Å; D134-K136 PolarHBondContact OD1-NZ 2.82Å; D134-K136 IonicContact OD2-NZ 2.83Å; D134-R171 WeakPolarHBondContact CA-O 3.26Å
135I98.6Very high98.5Very high2 Ų239.7 Ų39.71%0.0119%0.186CC..  trans-107.989.9161.7-53.9-60.7000107.9L133 H137 I154 L155 I170 R171 H172 L188L133-I135 HydrophobicContact CD2-CD1 4.18Å; L133-I135 HydrophobicContact CG-CD1 4.21Å; L133-I135 PolarHBondContact O-N 3.33Å; I135-H137 VanDerWaalsContact C-N 3.32Å; I135-H137 PolarHBondContact O-N 3.5Å; I135-I154 HydrophobicContact CD1-CG2 3.94Å; I135-L155 HydrophobicContact CD1-CD2 4.16Å; I135-L155 HydrophobicContact CG2-CD2 4.2Å; I135-I170 HydrophobicContact CB-CG2 4.22Å; I135-I170 HydrophobicContact CG1-CD1 4.04Å; I135-I170 HydrophobicContact CG1-CG2 3.77Å; I135-R171 PolarHBondContact N-O 3.09Å; I135-H172 PolarHBondContact O-ND1 2.9Å; I135-L188 HydrophobicContact CB-CD1 4.01Å; I135-L188 HydrophobicContact CG2-CD1 3.57Å
136K98.5Very high98.5Very high18 Ų1837.5 Ų37.58%0.07818%0.176CC..  trans-69.1-30.9-170.8-57.4-173-175.8-62.40113.1L31 C33 Y35 D134 T147L31-K136 HydrophobicContact CD1-CD 3.95Å; C33-K136 VanDerWaalsContact SG-CD 3.57Å; Y35-K136 WeakPolarHBondContact OH-CB 3.41Å; Y35-K136 WeakPolarHBondContact OH-CD 3.33Å; Y35-K136 VanDerWaalsContact OH-CG 3.26Å; Y35-K136 WeakPolarHBondContact OH-CG 3.41Å; D134-K136 HydrophobicContact CB-CG 4.03Å; D134-K136 VanDerWaalsContact CG-NZ 3.26Å; D134-K136 IonicContact OD1-NZ 3.08Å; D134-K136 PolarHBondContact OD1-NZ 2.82Å; D134-K136 IonicContact OD2-NZ 2.83Å; K136-T147 HydrophobicContact CB-CG2 4.11Å; K136-T147 HydrophobicContact CD-CG2 3.8Å
137H98.7Very high98.5Very high3 Ų331.3 Ų31.31%0.01415%0.15CC..  trans-163.2139.4174.5-157.6-69.5000109.9I135 D139 K142 H143 L146 N151 Y178 D184I135-H137 VanDerWaalsContact C-N 3.32Å; I135-H137 PolarHBondContact O-N 3.5Å; H137-D139 PolarHBondContact ND1-N 3.48Å; H137-D139 PolarHBondContact ND1-O 2.74Å; H137-D139 VanDerWaalsContact ND1-O 3.1Å; H137-K142 WeakPolarHBondContact CE1-CB 3.4Å; H137-K142 WeakPolarHBondContact CE1-CD 3.46Å; H137-K142 WeakPolarHBondContact ND1-CB 3.18Å; H137-K142 WeakPolarHBondContact NE2-CB 3.14Å; H137-K142 VanDerWaalsContact NE2-CD 3.34Å; H137-K142 WeakPolarHBondContact NE2-CD 3.41Å; H137-H143 HydrophobicContact CB-CB 3.9Å; H137-L146 HydrophobicContact CB-CD2 4.34Å; H137-N151 PolarHBondContact O-ND2 3.37Å; H137-Y178 PolarHBondContact CD2-O 2.88Å; H137-Y178 VanDerWaalsContact CD2-O 3.26Å; H137-Y178 PolarHBondContact NE2-O 3.41Å; H137-D184 IonicContact CE1-OD2 3.21Å; H137-D184 PolarHBondContact CE1-OD2 3.43Å; H137-D184 IonicContact NE2-OD2 3.48Å; H137-D184 PolarHBondContact NE2-OD2 3.41Å
138I98.7Very high98.4Very high25 Ų2531.3 Ų31.313%0.12816%0.163CC..SBendtrans-82.4-38179.7-164.368.9000112.7N151 L155 D184 K187 L188 F191I138-N151 VanDerWaalsContact C-ND2 3.32Å; I138-N151 PolarHBondContact O-ND2 3.1Å; I138-L155 HydrophobicContact CD1-CD1 4.16Å; I138-L155 HydrophobicContact CD1-CD2 3.93Å; I138-D184 HydrophobicContact CG2-CB 4.06Å; I138-D184 VanDerWaalsContact CG2-O 3.27Å; I138-D184 WeakPolarHBondContact CG2-O 3.13Å; I138-K187 HydrophobicContact CG1-CB 4.25Å; I138-K187 HydrophobicContact CG2-CB 3.82Å; I138-L188 HydrophobicContact CB-CB 4.31Å; I138-F191 HydrophobicContact CD1-CB 3.7Å; I138-F191 HydrophobicContact CD1-CD1 4.05Å; I138-F191 HydrophobicContact CD1-CD2 4.43Å; I138-F191 HydrophobicContact CD1-CG 3.8Å
139D98.6Very high98.4Very high55 Ų5535.3 Ų35.329%0.29418%0.179SC..SBendtrans-72.3127.9170.8-179.3-82.7000110.9H137 D141 K142 H143H137-D139 PolarHBondContact ND1-N 3.48Å; H137-D139 PolarHBondContact ND1-O 2.74Å; H137-D139 VanDerWaalsContact ND1-O 3.1Å; D139-D141 PolarHBondContact OD1-N 2.89Å; D139-K142 HydrophobicContact CB-CB 4.13Å; D139-K142 HydrophobicContact CB-CD 4.11Å; D139-K142 HydrophobicContact CB-CG 4.31Å; D139-K142 PolarHBondContact OD1-N 3.23Å; D139-H143 WeakPolarHBondContact O-CB 3.27Å; D139-H143 PolarHBondContact O-N 2.64Å
140N98.6Very high98.4Very high42 Ų4235.4 Ų35.423%0.22518%0.183CC..Hα-helixtrans-69.1-36.9-173.617976.7000113H143 I144 P150 N151N140-H143 WeakPolarHBondContact O-CB 3.45Å; N140-H143 PolarHBondContact O-N 2.77Å; N140-I144 WeakPolarHBondContact ND2-CD1 3.34Å; N140-I144 WeakPolarHBondContact O-CG1 3.27Å; N140-I144 PolarHBondContact O-N 3.11Å; N140-P150 VanDerWaalsContact OD1-CA 3.23Å; N140-P150 WeakPolarHBondContact OD1-CA 3.37Å; N140-P150 WeakPolarHBondContact OD1-CB 3.2Å; N140-N151 WeakPolarHBondContact CB-OD1 3.4Å; N140-N151 PolarHBondContact OD1-N 3.02Å; N140-N151 PolarHBondContact OD1-OD1 3.08Å
141D98.5Very high98.4Very high98 Ų9835.4 Ų35.452%0.52418%0.182SC..Hα-helixtrans-73.3-39.9-177.7-69.9-12.4000110.7D139 H143 I144 R145D139-D141 PolarHBondContact OD1-N 2.89Å; D141-H143 VanDerWaalsContact C-N 3.34Å; D141-I144 PolarHBondContact O-N 3.24Å; D141-R145 WeakPolarHBondContact O-CG 3.37Å; D141-R145 PolarHBondContact O-N 2.94Å; D141-R145 VanDerWaalsContact O-N 3.13Å; D141-R145 PolarHBondContact O-NH1 2.96Å
142K98.5Very high98.3Very high59 Ų5939 Ų3926%0.25721%0.205SC..Hα-helixtrans-62.7-40.4169.6-72.4177.2179.5-169.70111.1H137 D139 I144 R145 L146 D184H137-K142 WeakPolarHBondContact CE1-CB 3.4Å; H137-K142 WeakPolarHBondContact CE1-CD 3.46Å; H137-K142 WeakPolarHBondContact ND1-CB 3.18Å; H137-K142 WeakPolarHBondContact NE2-CB 3.14Å; H137-K142 VanDerWaalsContact NE2-CD 3.34Å; H137-K142 WeakPolarHBondContact NE2-CD 3.41Å; D139-K142 HydrophobicContact CB-CB 4.13Å; D139-K142 HydrophobicContact CB-CD 4.11Å; D139-K142 HydrophobicContact CB-CG 4.31Å; D139-K142 PolarHBondContact OD1-N 3.23Å; K142-I144 PolarHBondContact O-N 3.41Å; K142-R145 PolarHBondContact O-N 3.44Å; K142-L146 VanDerWaalsContact O-CB 3.29Å; K142-L146 WeakPolarHBondContact O-CB 3.32Å; K142-L146 PolarHBondContact O-N 2.81Å; K142-D184 WeakPolarHBondContact CD-OD2 3.34Å; K142-D184 WeakPolarHBondContact CE-OD2 3.49Å; K142-D184 IonicContact NZ-OD2 2.58Å; K142-D184 PolarHBondContact NZ-OD2 2.86Å
143H98.6Very high98.3Very high1 Ų141 Ų411%0.00521%0.214CC..Hα-helixtrans-61.1-42.2175-167-85.4000112.9H137 D139 N140 D141 R145 L146 T147 K149 N151H137-H143 HydrophobicContact CB-CB 3.9Å; D139-H143 WeakPolarHBondContact O-CB 3.27Å; D139-H143 PolarHBondContact O-N 2.64Å; N140-H143 WeakPolarHBondContact O-CB 3.45Å; N140-H143 PolarHBondContact O-N 2.77Å; D141-H143 VanDerWaalsContact C-N 3.34Å; H143-R145 VanDerWaalsContact C-N 3.35Å; H143-L146 PolarHBondContact O-N 3.35Å; H143-T147 PolarHBondContact CE1-OG1 3.22Å; H143-T147 PolarHBondContact ND1-OG1 2.83Å; H143-T147 WeakPolarHBondContact O-CB 3.47Å; H143-T147 PolarHBondContact O-N 2.78Å; H143-T147 PolarHBondContact O-OG1 2.94Å; H143-K149 CarbonylContact C-O 3.56Å; H143-K149 PolarHBondContact ND1-O 3.44Å; H143-N151 HydrophobicContact CB-CB 3.98Å
144I98.5Very high98.3Very high68 Ų6841 Ų4135%0.34921%0.214SC..Hα-helixtrans-60.9-45.6176.2-70.4164.6000110.3N140 D141 K142 L146 G148 K149 P150N140-I144 WeakPolarHBondContact ND2-CD1 3.34Å; N140-I144 WeakPolarHBondContact O-CG1 3.27Å; N140-I144 PolarHBondContact O-N 3.11Å; D141-I144 PolarHBondContact O-N 3.24Å; K142-I144 PolarHBondContact O-N 3.41Å; I144-L146 VanDerWaalsContact C-N 3.32Å; I144-L146 PolarHBondContact O-N 2.8Å; I144-G148 WeakPolarHBondContact O-CA 3.27Å; I144-G148 PolarHBondContact O-N 2.8Å; I144-K149 WeakPolarHBondContact CA-O 3.39Å; I144-K149 WeakPolarHBondContact CG1-O 3.46Å; I144-K149 PolarHBondContact N-O 3.38Å; I144-P150 HydrophobicContact CD1-CB 4.36Å; I144-P150 HydrophobicContact CG1-CB 4.31Å
145R97.7Very high98.3Very high157 Ų15741.4 Ų41.459%0.59222%0.216SC*.Hα-helixtrans-62.9-39.3176.7-69.1-169.4-63.3-87.411112.3D141 K142 H143D141-R145 WeakPolarHBondContact O-CG 3.37Å; D141-R145 PolarHBondContact O-N 2.94Å; D141-R145 VanDerWaalsContact O-N 3.13Å; D141-R145 PolarHBondContact O-NH1 2.96Å; K142-R145 PolarHBondContact O-N 3.44Å; H143-R145 VanDerWaalsContact C-N 3.35Å
146L97.7Very high98.3Very high4 Ų445 Ų452%0.02124%0.235CC..Hα-helixtrans-78.2-29.6-175.3-173.458.2000113.8C33 L34 Y35 H137 K142 H143 I144 Y178C33-L146 VanDerWaalsContact CA-O 3.3Å; C33-L146 WeakPolarHBondContact CA-O 3.45Å; L34-L146 HydrophobicContact CB-CD1 4.39Å; L34-L146 HydrophobicContact CD1-CD1 4.47Å; L34-L146 PolarHBondContact N-O 3.41Å; Y35-L146 HydrophobicContact CD1-CD1 3.84Å; Y35-L146 HydrophobicContact CD1-CG 4.35Å; Y35-L146 HydrophobicContact CE1-CD1 3.8Å; Y35-L146 HydrophobicContact CE1-CD2 3.9Å; Y35-L146 HydrophobicContact CE1-CG 3.8Å; H137-L146 HydrophobicContact CB-CD2 4.34Å; K142-L146 VanDerWaalsContact O-CB 3.29Å; K142-L146 WeakPolarHBondContact O-CB 3.32Å; K142-L146 PolarHBondContact O-N 2.81Å; H143-L146 PolarHBondContact O-N 3.35Å; I144-L146 VanDerWaalsContact C-N 3.32Å; I144-L146 PolarHBondContact O-N 2.8Å; L146-Y178 HydrophobicContact CD1-CD1 4.1Å; L146-Y178 HydrophobicContact CD1-CG 4.38Å
147T97.9Very high98.3Very high0 Ų044.6 Ų44.60%023%0.233CC..Hα-helixtrans-130.4-9.2-168.372.80000114.8R32 K136 H143 K149R32-T147 PolarHBondContact N-O 2.92Å; K136-T147 HydrophobicContact CB-CG2 4.11Å; K136-T147 HydrophobicContact CD-CG2 3.8Å; H143-T147 PolarHBondContact CE1-OG1 3.22Å; H143-T147 PolarHBondContact ND1-OG1 2.83Å; H143-T147 WeakPolarHBondContact O-CB 3.47Å; H143-T147 PolarHBondContact O-N 2.78Å; H143-T147 PolarHBondContact O-OG1 2.94Å; T147-K149 VanDerWaalsContact C-N 3.29Å; T147-K149 PolarHBondContact O-N 3.1Å; T147-K149 PolarHBondContact OG1-N 3.47Å; T147-K149 PolarHBondContact OG1-O 3.44Å
148G97.5Very high98.3Very high48 Ų4844.5 Ų44.550%0.49523%0.233SC..SBendtrans774.5-174.800000115.3I144I144-G148 WeakPolarHBondContact O-CA 3.27Å; I144-G148 PolarHBondContact O-N 2.8Å
149K97.7Very high98.2Very high91 Ų9148.8 Ų48.840%0.39625%0.248SC..SBendtrans-139.4155.1-178.2-64.9-64.8179.9-177.30112.3L30 L31 H143 I144 T147L30-K149 WeakPolarHBondContact O-CE 3.43Å; L31-K149 HydrophobicContact CD2-CB 3.66Å; L31-K149 HydrophobicContact CD2-CG 3.64Å; H143-K149 CarbonylContact C-O 3.56Å; H143-K149 PolarHBondContact ND1-O 3.44Å; I144-K149 WeakPolarHBondContact CA-O 3.39Å; I144-K149 WeakPolarHBondContact CG1-O 3.46Å; I144-K149 PolarHBondContact N-O 3.38Å; T147-K149 VanDerWaalsContact C-N 3.29Å; T147-K149 PolarHBondContact O-N 3.1Å; T147-K149 PolarHBondContact OG1-N 3.47Å; T147-K149 PolarHBondContact OG1-O 3.44Å
150P98.3Very high98.2Very high50 Ų5049.1 Ų49.133%0.32525%0.247SC..  trans-68.1158.8171.929.6-35.6000111.7N140 I144 H153N140-P150 VanDerWaalsContact OD1-CA 3.23Å; N140-P150 WeakPolarHBondContact OD1-CA 3.37Å; N140-P150 WeakPolarHBondContact OD1-CB 3.2Å; I144-P150 HydrophobicContact CD1-CB 4.36Å; I144-P150 HydrophobicContact CG1-CB 4.31Å; P150-H153 PolarHBondContact O-CE1 3.08Å; P150-H153 PolarHBondContact O-ND1 3.35Å
151N98.4Very high98.2Very high4 Ų447.1 Ų47.12%0.02124%0.236CC..SBendtrans-100.7-7.317667.13.9000114H137 I138 N140 H143 H153 I154 L155H137-N151 PolarHBondContact O-ND2 3.37Å; I138-N151 VanDerWaalsContact C-ND2 3.32Å; I138-N151 PolarHBondContact O-ND2 3.1Å; N140-N151 WeakPolarHBondContact CB-OD1 3.4Å; N140-N151 PolarHBondContact OD1-N 3.02Å; N140-N151 PolarHBondContact OD1-OD1 3.08Å; H143-N151 HydrophobicContact CB-CB 3.98Å; N151-H153 VanDerWaalsContact C-N 3.26Å; N151-H153 PolarHBondContact O-N 3.07Å; N151-H153 VanDerWaalsContact O-N 3.17Å; N151-I154 WeakPolarHBondContact O-CA 3.29Å; N151-I154 WeakPolarHBondContact O-CB 3.38Å; N151-I154 PolarHBondContact O-N 3.31Å; N151-L155 HydrophobicContact CB-CG 4.48Å; N151-L155 WeakPolarHBondContact O-CG 3.41Å; N151-L155 PolarHBondContact O-N 3.37Å
152T98Very high98.2Very high77 Ų7742.8 Ų42.847%0.47221%0.213SC..Hα-helixtrans-54.5-41.3-172.952.60000112.9N156T152-N156 WeakPolarHBondContact O-CB 3.27Å; T152-N156 PolarHBondContact O-N 3.32Å; T152-N156 PolarHBondContact O-ND2 3.38Å
153H97.9Very high98.1Very high40 Ų4046.2 Ų46.219%0.18523%0.234CC..Hα-helixtrans-71-32.9176.464-81.3000113.2A108 G109 A111 P150 N151 F157A108-H153 PolarHBondContact O-CD2 3.33Å; G109-H153 WeakPolarHBondContact CA-NE2 3.45Å; G109-H153 PolarHBondContact O-NE2 2.89Å; A111-H153 PolarHBondContact O-CD2 3.23Å; P150-H153 PolarHBondContact O-CE1 3.08Å; P150-H153 PolarHBondContact O-ND1 3.35Å; N151-H153 VanDerWaalsContact C-N 3.26Å; N151-H153 PolarHBondContact O-N 3.07Å; N151-H153 VanDerWaalsContact O-N 3.17Å; H153-F157 VanDerWaalsContact O-CB 3.32Å; H153-F157 WeakPolarHBondContact O-CB 3.32Å; H153-F157 PolarHBondContact O-N 2.83Å
154I98.6Very high98Very high2 Ų250 Ų501%0.0125%0.253CS..Hα-helixtrans-67.5-46.4175.5-59.2171.8000109.8S107 A108 I135 N151 N156 F157 A158S107-I154 WeakPolarHBondContact O-CD1 3.29Å; A108-I154 HydrophobicContact CB-CG1 4.44Å; A108-I154 HydrophobicContact CB-CG2 4.31Å; I135-I154 HydrophobicContact CD1-CG2 3.94Å; N151-I154 WeakPolarHBondContact O-CA 3.29Å; N151-I154 WeakPolarHBondContact O-CB 3.38Å; N151-I154 PolarHBondContact O-N 3.31Å; I154-N156 PolarHBondContact O-N 2.95Å; I154-F157 WeakPolarHBondContact O-CB 3.49Å; I154-F157 PolarHBondContact O-N 2.92Å; I154-A158 PolarHBondContact O-N 3.2Å
155L98.7Very high97.9Very high25 Ų2552.4 Ų52.413%0.13126%0.261CS..Hα-helixtrans-65-39.3176.9-60.2-178.1000111.6I135 I138 N151 F157 A158 R159 F191I135-L155 HydrophobicContact CD1-CD2 4.16Å; I135-L155 HydrophobicContact CG2-CD2 4.2Å; I138-L155 HydrophobicContact CD1-CD1 4.16Å; I138-L155 HydrophobicContact CD1-CD2 3.93Å; N151-L155 HydrophobicContact CB-CG 4.48Å; N151-L155 WeakPolarHBondContact O-CG 3.41Å; N151-L155 PolarHBondContact O-N 3.37Å; L155-F157 VanDerWaalsContact C-N 3.34Å; L155-A158 PolarHBondContact O-N 2.95Å; L155-R159 WeakPolarHBondContact O-CG 3.44Å; L155-R159 PolarHBondContact O-N 3.05Å; L155-R159 VanDerWaalsContact O-N 3.1Å; L155-F191 HydrophobicContact CB-CE2 4.14Å; L155-F191 HydrophobicContact CB-CZ 3.95Å; L155-F191 HydrophobicContact CD2-CD1 4.17Å; L155-F191 HydrophobicContact CD2-CE1 3.66Å; L155-F191 HydrophobicContact CD2-CE2 4.18Å; L155-F191 HydrophobicContact CD2-CZ 3.67Å; L155-F191 HydrophobicContact CG-CZ 4.36Å
156N98.1Very high98Very high79 Ų7945.2 Ų45.242%0.42223%0.234SC..Hα-helixtrans-64.4-38.7173.1-73.7-14.2000112.1T152 I154 R159 K160T152-N156 WeakPolarHBondContact O-CB 3.27Å; T152-N156 PolarHBondContact O-N 3.32Å; T152-N156 PolarHBondContact O-ND2 3.38Å; I154-N156 PolarHBondContact O-N 2.95Å; N156-R159 PolarHBondContact O-N 2.86Å; N156-K160 WeakPolarHBondContact O-CG 3.43Å; N156-K160 PolarHBondContact O-N 3.14Å; N156-K160 VanDerWaalsContact O-N 3.07Å
157F98.4Very high98Very high8 Ų847 Ų474%0.03525%0.246CC..Hα-helixtrans-62.9-45174.5-177.2-108.5000111.3L82 A108 A111 F117 F121 L133 H153 I154 L155 R159 K160 L161L82-F157 HydrophobicContact CD1-CE1 4.31Å; L82-F157 HydrophobicContact CD1-CZ 4.09Å; A108-F157 HydrophobicContact CB-CB 4.46Å; A108-F157 HydrophobicContact CB-CD1 3.44Å; A108-F157 VanDerWaalsContact CB-CD1 3.44Å; A108-F157 HydrophobicContact CB-CE1 3.87Å; A108-F157 HydrophobicContact CB-CG 4.13Å; A111-F157 HydrophobicContact CB-CB 3.98Å; A111-F157 HydrophobicContact CB-CD2 4.01Å; A111-F157 HydrophobicContact CB-CG 3.97Å; F117-F157 HydrophobicContact CE1-CD2 4.26Å; F117-F157 HydrophobicContact CE1-CE2 4.04Å; F117-F157 HydrophobicContact CZ-CE2 4.18Å; F121-F157 HydrophobicContact CD1-CE2 4.02Å; F121-F157 AromaticContact CD2-CE2 3.97Å; F121-F157 HydrophobicContact CD2-CE2 3.97Å; F121-F157 AromaticContact CD2-CZ 3.93Å; F121-F157 HydrophobicContact CD2-CZ 3.93Å; F121-F157 AromaticContact CE1-CE2 3.84Å; F121-F157 HydrophobicContact CE1-CE2 3.84Å; F121-F157 HydrophobicContact CE1-CZ 4.07Å; F121-F157 AromaticContact CE2-CE2 3.82Å; F121-F157 HydrophobicContact CE2-CE2 3.82Å; F121-F157 AromaticContact CE2-CZ 3.4Å; F121-F157 HydrophobicContact CE2-CZ 3.4Å; F121-F157 VanDerWaalsContact CE2-CZ 3.4Å; F121-F157 HydrophobicContact CG-CE2 4.09Å; F121-F157 HydrophobicContact CG-CZ 4.49Å; F121-F157 AromaticContact CZ-CE2 3.75Å; F121-F157 HydrophobicContact CZ-CE2 3.75Å; F121-F157 AromaticContact CZ-CZ 3.49Å; F121-F157 HydrophobicContact CZ-CZ 3.49Å; F121-F157 VanDerWaalsContact CZ-CZ 3.49Å; L133-F157 HydrophobicContact CD1-CD1 4.33Å; H153-F157 VanDerWaalsContact O-CB 3.32Å; H153-F157 WeakPolarHBondContact O-CB 3.32Å; H153-F157 PolarHBondContact O-N 2.83Å; I154-F157 WeakPolarHBondContact O-CB 3.49Å; I154-F157 PolarHBondContact O-N 2.92Å; L155-F157 VanDerWaalsContact C-N 3.34Å; F157-R159 VanDerWaalsContact C-N 3.31Å; F157-R159 PolarHBondContact O-N 3.34Å; F157-K160 WeakPolarHBondContact O-CB 3.33Å; F157-K160 PolarHBondContact O-N 3.32Å; F157-K160 VanDerWaalsContact O-N 3.08Å; F157-L161 HydrophobicContact CD1-CD1 4.12Å; F157-L161 HydrophobicContact CD1-CG 4.39Å; F157-L161 HydrophobicContact CE1-CD1 3.8Å; F157-L161 HydrophobicContact CE1-CD2 4.24Å; F157-L161 HydrophobicContact CE1-CG 4.18Å; F157-L161 HydrophobicContact CE2-CD2 4.36Å; F157-L161 HydrophobicContact CZ-CD1 4.39Å; F157-L161 HydrophobicContact CZ-CD2 4Å; F157-L161 HydrophobicContact CZ-CG 4.4Å; F157-L161 WeakPolarHBondContact O-CG 3.47Å; F157-L161 PolarHBondContact O-N 2.85Å
158A98.7Very high98.1Very high1 Ų147.1 Ų47.11%0.00825%0.247CC..Hα-helixtrans-57.1-41.4174.500000112.7L133 I154 L155 L161 S162 F191 L195L133-A158 HydrophobicContact CD2-CB 3.63Å; I154-A158 PolarHBondContact O-N 3.2Å; L155-A158 PolarHBondContact O-N 2.95Å; A158-L161 PolarHBondContact O-N 3.41Å; A158-S162 PolarHBondContact O-N 2.93Å; A158-S162 VanDerWaalsContact O-N 3.07Å; A158-F191 HydrophobicContact CB-CE1 4.09Å; A158-F191 HydrophobicContact CB-CZ 3.91Å; A158-L195 HydrophobicContact CB-CD1 4.16Å
159R98.5Very high98.1Very high115 Ų11546.5 Ų46.543%0.43423%0.229SC..Hα-helixtrans-62-42.9174.2-68.6-175.5-170.1-68.20.3112.2L155 N156 F157 L161 S162 D163 F191 L195L155-R159 WeakPolarHBondContact O-CG 3.44Å; L155-R159 PolarHBondContact O-N 3.05Å; L155-R159 VanDerWaalsContact O-N 3.1Å; N156-R159 PolarHBondContact O-N 2.86Å; F157-R159 VanDerWaalsContact C-N 3.31Å; F157-R159 PolarHBondContact O-N 3.34Å; R159-L161 VanDerWaalsContact C-N 3.34Å; R159-L161 PolarHBondContact O-N 2.87Å; R159-S162 WeakPolarHBondContact O-CA 3.2Å; R159-S162 VanDerWaalsContact O-CB 3.31Å; R159-S162 WeakPolarHBondContact O-CB 3.27Å; R159-S162 PolarHBondContact O-N 3.42Å; R159-S162 VanDerWaalsContact O-N 3.1Å; R159-D163 PolarHBondContact O-N 3.23Å; R159-F191 HydrophobicContact CG-CE2 4.36Å; R159-L195 HydrophobicContact CG-CD2 4.2Å
160K97.5Very high98.2Very high62 Ų6242.2 Ų42.227%0.2721%0.211SC..Hα-helixtrans-61.2-40.9175.5-71.3172.9173.6179.50112.3D113 N156 F157 S162 D163 M164D113-K160 IonicContact OD1-NZ 3.27Å; D113-K160 PolarHBondContact OD1-NZ 3.39Å; N156-K160 WeakPolarHBondContact O-CG 3.43Å; N156-K160 PolarHBondContact O-N 3.14Å; N156-K160 VanDerWaalsContact O-N 3.07Å; F157-K160 WeakPolarHBondContact O-CB 3.33Å; F157-K160 PolarHBondContact O-N 3.32Å; F157-K160 VanDerWaalsContact O-N 3.08Å; K160-S162 VanDerWaalsContact C-N 3.27Å; K160-S162 PolarHBondContact O-N 3.12Å; K160-D163 PolarHBondContact O-N 2.62Å; K160-M164 VanDerWaalsContact O-CG 3.26Å; K160-M164 WeakPolarHBondContact O-CG 3.32Å; K160-M164 PolarHBondContact O-N 3.27Å
161L98.4Very high98.2Very high1 Ų140.7 Ų40.71%0.00520%0.199CC..Hα-helixtrans-60.3-40.1174-61.1-177.8000111.4F121 I131 L133 F157 A158 R159 M164 K165 Q166 V168 N197F121-L161 HydrophobicContact CE1-CD2 3.73Å; F121-L161 HydrophobicContact CZ-CD2 3.45Å; F121-L161 VanDerWaalsContact CZ-CD2 3.45Å; I131-L161 HydrophobicContact CD1-CD1 4.1Å; I131-L161 HydrophobicContact CD1-CD2 3.84Å; I131-L161 HydrophobicContact CG2-CD1 4.33Å; L133-L161 HydrophobicContact CD2-CD1 4.09Å; F157-L161 HydrophobicContact CD1-CD1 4.12Å; F157-L161 HydrophobicContact CD1-CG 4.39Å; F157-L161 HydrophobicContact CE1-CD1 3.8Å; F157-L161 HydrophobicContact CE1-CD2 4.24Å; F157-L161 HydrophobicContact CE1-CG 4.18Å; F157-L161 HydrophobicContact CE2-CD2 4.36Å; F157-L161 HydrophobicContact CZ-CD1 4.39Å; F157-L161 HydrophobicContact CZ-CD2 4Å; F157-L161 HydrophobicContact CZ-CG 4.4Å; F157-L161 WeakPolarHBondContact O-CG 3.47Å; F157-L161 PolarHBondContact O-N 2.85Å; A158-L161 PolarHBondContact O-N 3.41Å; R159-L161 VanDerWaalsContact C-N 3.34Å; R159-L161 PolarHBondContact O-N 2.87Å; L161-M164 CarbonylContact O-C 3.55Å; L161-M164 PolarHBondContact O-N 2.69Å; L161-K165 PolarHBondContact O-N 2.99Å; L161-K165 VanDerWaalsContact O-N 3.08Å; L161-Q166 HydrophobicContact CB-CB 4.3Å; L161-Q166 HydrophobicContact CD2-CB 4.33Å; L161-Q166 HydrophobicContact CD2-CG 4.3Å; L161-Q166 PolarHBondContact O-N 3.32Å; L161-V168 HydrophobicContact CB-CG2 4.1Å; L161-V168 HydrophobicContact CD1-CG2 3.71Å; L161-N197 PolarHBondContact O-ND2 2.89Å
162S98.5Very high98.2Very high7 Ų740.7 Ų40.75%0.04920%0.199CC..Hα-helixtrans-62.5-44.3174.4179.70000112.9A158 R159 K160 M164 K165 D196 N197A158-S162 PolarHBondContact O-N 2.93Å; A158-S162 VanDerWaalsContact O-N 3.07Å; R159-S162 WeakPolarHBondContact O-CA 3.2Å; R159-S162 VanDerWaalsContact O-CB 3.31Å; R159-S162 WeakPolarHBondContact O-CB 3.27Å; R159-S162 PolarHBondContact O-N 3.42Å; R159-S162 VanDerWaalsContact O-N 3.1Å; K160-S162 VanDerWaalsContact C-N 3.27Å; K160-S162 PolarHBondContact O-N 3.12Å; S162-M164 VanDerWaalsContact C-N 3.27Å; S162-M164 PolarHBondContact O-N 2.99Å; S162-K165 WeakPolarHBondContact O-CD 3.39Å; S162-K165 PolarHBondContact O-N 3.39Å; S162-K165 VanDerWaalsContact O-N 3.11Å; S162-D196 PolarHBondContact OG-N 3.02Å; S162-N197 WeakPolarHBondContact CA-OD1 3.47Å; S162-N197 VanDerWaalsContact CB-OD1 3.22Å; S162-N197 WeakPolarHBondContact CB-OD1 3.5Å; S162-N197 PolarHBondContact N-ND2 3.17Å
163D97.3Very high98.2Very high130 Ų13037.7 Ų37.770%0.69518%0.18SC*.Hα-helixtrans-62.5-37.2176.9-64.9-23.2000111.6R159 K160 K165R159-D163 PolarHBondContact O-N 3.23Å; K160-D163 PolarHBondContact O-N 2.62Å; D163-K165 VanDerWaalsContact C-N 3.27Å; D163-K165 PolarHBondContact O-N 2.77Å
164M95.8Very high98.2Very high80 Ų8035.9 Ų35.939%0.39417%0.172SC..THydrogen-bonded Turntrans-79.4-5.3177.3-64.8171.7-175.700113.9F121 K160 L161 S162 Q166F121-M164 HydrophobicContact CE1-SD 4.37Å; K160-M164 VanDerWaalsContact O-CG 3.26Å; K160-M164 WeakPolarHBondContact O-CG 3.32Å; K160-M164 PolarHBondContact O-N 3.27Å; L161-M164 CarbonylContact O-C 3.55Å; L161-M164 PolarHBondContact O-N 2.69Å; S162-M164 VanDerWaalsContact C-N 3.27Å; S162-M164 PolarHBondContact O-N 2.99Å; M164-Q166 PolarHBondContact O-N 3.09Å
165K97.4Very high98.1Very high119 Ų11935.8 Ų35.852%0.51717%0.171SC..THydrogen-bonded Turntrans55.331.1-174.6-52.5-62.8175.1-167.60113.4L161 S162 D163 P167 D196L161-K165 PolarHBondContact O-N 2.99Å; L161-K165 VanDerWaalsContact O-N 3.08Å; S162-K165 WeakPolarHBondContact O-CD 3.39Å; S162-K165 PolarHBondContact O-N 3.39Å; S162-K165 VanDerWaalsContact O-N 3.11Å; D163-K165 VanDerWaalsContact C-N 3.27Å; D163-K165 PolarHBondContact O-N 2.77Å; K165-P167 WeakPolarHBondContact O-CD 3.42Å; K165-D196 IonicContact NZ-OD2 2.74Å; K165-D196 PolarHBondContact NZ-OD2 3.03Å
166Q98.4Very high98.1Very high6 Ų636.2 Ų36.23%0.02818%0.176CC..  trans-68.7124.8175.6174.861.944.200109.9T128 I131 L161 M164 V168 N197T128-Q166 PolarHBondContact O-NE2 2.84Å; I131-Q166 HydrophobicContact CD1-CG 3.67Å; I131-Q166 HydrophobicContact CG1-CG 3.94Å; L161-Q166 HydrophobicContact CB-CB 4.3Å; L161-Q166 HydrophobicContact CD2-CB 4.33Å; L161-Q166 HydrophobicContact CD2-CG 4.3Å; L161-Q166 PolarHBondContact O-N 3.32Å; M164-Q166 PolarHBondContact O-N 3.09Å; Q166-V168 HydrophobicContact CG-CG2 4.47Å; Q166-V168 WeakPolarHBondContact O-CG2 3.09Å; Q166-V168 PolarHBondContact O-N 2.97Å; Q166-N197 VanDerWaalsContact O-CB 3.3Å; Q166-N197 WeakPolarHBondContact O-CB 3.45Å; Q166-N197 PolarHBondContact O-ND2 2.97Å
167P98.6Very high98Very high42 Ų4235.7 Ų35.727%0.27319%0.189SC..  trans-55.6124.8173.2-2937.3000112.1L130 I131 K165 E199L130-P167 HydrophobicContact CD1-CB 4.2Å; I131-P167 PolarHBondContact N-O 2.65Å; K165-P167 WeakPolarHBondContact O-CD 3.42Å; P167-E199 HydrophobicContact CB-CG 4.48Å
168V98.7Very high98Very high2 Ų239.3 Ų39.31%0.01220%0.203CC..EExtended strand (participates in β ladder)trans-129.3137.6-178.9170.70000111.2I131 L133 L161 Q166 I170 N197 V198 E199I131-V168 HydrophobicContact CB-CG2 4.19Å; I131-V168 CarbonylContact O-C 3.59Å; I131-V168 VanDerWaalsContact O-CA 3.24Å; I131-V168 WeakPolarHBondContact O-CA 3.46Å; L133-V168 HydrophobicContact CB-CG1 4.05Å; L161-V168 HydrophobicContact CB-CG2 4.1Å; L161-V168 HydrophobicContact CD1-CG2 3.71Å; Q166-V168 HydrophobicContact CG-CG2 4.47Å; Q166-V168 WeakPolarHBondContact O-CG2 3.09Å; Q166-V168 PolarHBondContact O-N 2.97Å; V168-I170 HydrophobicContact CG1-CD1 3.63Å; V168-I170 HydrophobicContact CG1-CG1 4.02Å; V168-N197 VanDerWaalsContact CG2-ND2 3.33Å; V168-N197 WeakPolarHBondContact CG2-ND2 3.4Å; V168-N197 PolarHBondContact N-O 2.84Å; V168-N197 VanDerWaalsContact N-O 3.08Å; V168-V198 CarbonylContact O-C 3.56Å; V168-V198 WeakPolarHBondContact O-CA 3.33Å; V168-E199 PolarHBondContact O-N 2.92Å
169W98.5Very high97.9Very high35 Ų3539.3 Ų39.313%0.13320%0.203CC..EExtended strand (participates in β ladder)trans-105.4125.9158.1-64.14.2000108.6P18 L130 I131 L132 L133 K200P18-W169 HydrophobicContact CB-CH2 4.11Å; L130-W169 HydrophobicContact CD1-CG 4.06Å; L130-W169 HydrophobicContact CD2-CD2 4.06Å; L130-W169 HydrophobicContact CD2-CG 4.39Å; L130-W169 HydrophobicContact CD2-CZ2 4.25Å; I131-W169 PolarHBondContact O-N 2.55Å; L132-W169 WeakPolarHBondContact CA-O 3.39Å; L132-W169 HydrophobicContact CD2-CB 3.71Å; L132-W169 HydrophobicContact CD2-CD2 3.97Å; L132-W169 HydrophobicContact CD2-CE3 3.72Å; L132-W169 HydrophobicContact CD2-CG 4.01Å; L133-W169 PolarHBondContact N-O 2.93Å; W169-K200 CarbonylContact C-O 3.48Å; W169-K200 VanDerWaalsContact CA-O 3.29Å; W169-K200 WeakPolarHBondContact CA-O 3.37Å; W169-K200 HydrophobicContact CB-CB 4.24Å; W169-K200 HydrophobicContact CD2-CB 3.86Å; W169-K200 HydrophobicContact CD2-CD 3.77Å; W169-K200 HydrophobicContact CD2-CG 4.43Å; W169-K200 HydrophobicContact CE3-CD 3.73Å; W169-K200 HydrophobicContact CG-CB 3.64Å; W169-K200 HydrophobicContact CG-CD 4.4Å; W169-K200 HydrophobicContact CH2-CD 4.1Å; W169-K200 HydrophobicContact CZ2-CD 4.12Å; W169-K200 HydrophobicContact CZ3-CD 3.91Å
170I98.7Very high97.9Very high1 Ų137 Ų371%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-88.9128.6175.8-62.2-68.2000108.9L133 I135 V168 I192 V198 K200 F201 E202L133-I170 HydrophobicContact CB-CD1 4.1Å; L133-I170 HydrophobicContact CD2-CD1 4.02Å; L133-I170 HydrophobicContact CG-CD1 4.26Å; L133-I170 WeakPolarHBondContact O-CA 3.33Å; I135-I170 HydrophobicContact CB-CG2 4.22Å; I135-I170 HydrophobicContact CG1-CD1 4.04Å; I135-I170 HydrophobicContact CG1-CG2 3.77Å; V168-I170 HydrophobicContact CG1-CD1 3.63Å; V168-I170 HydrophobicContact CG1-CG1 4.02Å; I170-I192 HydrophobicContact CB-CG2 4.4Å; I170-I192 HydrophobicContact CG1-CG2 4.1Å; I170-I192 HydrophobicContact CG2-CG2 4.02Å; I170-V198 HydrophobicContact CB-CG1 4.31Å; I170-V198 HydrophobicContact CD1-CG2 4.41Å; I170-V198 HydrophobicContact CG1-CB 4.45Å; I170-V198 HydrophobicContact CG1-CG1 3.73Å; I170-V198 HydrophobicContact CG1-CG2 3.77Å; I170-K200 PolarHBondContact N-O 3.16Å; I170-F201 HydrophobicContact CB-CD2 4.03Å; I170-F201 HydrophobicContact CG2-CD2 3.86Å; I170-F201 HydrophobicContact CG2-CE2 4.09Å; I170-F201 WeakPolarHBondContact O-CA 3.21Å; I170-E202 PolarHBondContact O-N 3.44Å
171R98.6Very high97.9Very high18 Ų1837.1 Ų37.17%0.06820%0.202CC..EExtended strand (participates in β ladder)trans-112.1139175.7-58.3178.686.9-173.56.1110.3V15 D16 D105 L133 D134 I135 E202 L204V15-R171 PolarHBondContact O-NH2 3.16Å; D16-R171 IonicContact OD1-NH1 2.79Å; D16-R171 PolarHBondContact OD1-NH1 3.01Å; D16-R171 IonicContact OD1-NH2 2.62Å; D105-R171 IonicContact OD1-NH1 2.83Å; D105-R171 IonicContact OD2-NH1 3.74Å; L133-R171 PolarHBondContact O-N 3.02Å; D134-R171 WeakPolarHBondContact CA-O 3.26Å; I135-R171 PolarHBondContact N-O 3.09Å; R171-E202 CarbonylContact C-O 3.58Å; R171-E202 WeakPolarHBondContact CA-O 3.15Å; R171-E202 HydrophobicContact CG-CB 4.43Å; R171-E202 IonicContact NE-OE2 3.93Å; R171-L204 HydrophobicContact CB-CD1 4.29Å
172H98.4Very high97.9Very high5 Ų542.1 Ų42.12%0.02322%0.224CC..EExtended strand (participates in β ladder)trans-134.8119.9178.2-179.573.1000110.2I135 L174 S179 L188 F201 E202 I203 L204I135-H172 PolarHBondContact O-ND1 2.9Å; H172-L174 PolarHBondContact O-N 2.91Å; H172-S179 PolarHBondContact NE2-O 2.93Å; H172-L188 HydrophobicContact CB-CD2 4.07Å; H172-F201 HydrophobicContact CB-CE2 3.82Å; H172-F201 HydrophobicContact CB-CZ 3.92Å; H172-E202 PolarHBondContact N-O 3.15Å; H172-I203 CarbonylContact O-C 3.53Å; H172-I203 WeakPolarHBondContact O-CA 3.42Å; H172-L204 PolarHBondContact O-N 3.19Å
173V97.9Very high98Very high14 Ų1446.5 Ų46.59%0.08525%0.247CC..EExtended strand (participates in β ladder)trans-81.3119.5175.2-174.60000108.9Y35 V175 S179 L204Y35-V173 HydrophobicContact CD2-CB 4.43Å; Y35-V173 HydrophobicContact CD2-CG1 4.03Å; Y35-V173 HydrophobicContact CD2-CG2 4.39Å; Y35-V173 HydrophobicContact CE2-CB 3.85Å; Y35-V173 HydrophobicContact CE2-CG1 3.97Å; Y35-V173 HydrophobicContact CE2-CG2 3.65Å; Y35-V173 HydrophobicContact CG-CG1 4.41Å; V173-V175 HydrophobicContact CB-CG2 4.5Å; V173-V175 HydrophobicContact CG1-CG2 3.74Å; V173-S179 PolarHBondContact O-OG 2.78Å; V173-L204 CarbonylContact C-O 3.5Å; V173-L204 VanDerWaalsContact CA-O 3.26Å; V173-L204 WeakPolarHBondContact CA-O 3.27Å; V173-L204 HydrophobicContact CG2-CB 4.18Å; V173-L204 HydrophobicContact CG2-CD1 4.18Å
174L98.2Very high98Very high2 Ų240.8 Ų40.81%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-90.4103.7178.5-170.774.2000109.5H172 D180 L185 I203 L204 Y206 P229 V234 A237H172-L174 PolarHBondContact O-N 2.91Å; L174-D180 HydrophobicContact CD1-CB 3.62Å; L174-D180 HydrophobicContact CG-CB 4.14Å; L174-L185 HydrophobicContact CD1-CD1 4.32Å; L174-L185 HydrophobicContact CD1-CD2 4.38Å; L174-I203 HydrophobicContact CB-CG2 3.57Å; L174-I203 HydrophobicContact CD2-CG2 4.18Å; L174-I203 HydrophobicContact CG-CG2 4.42Å; L174-L204 PolarHBondContact N-O 3.18Å; L174-Y206 WeakPolarHBondContact O-CB 3.38Å; L174-Y206 PolarHBondContact O-N 2.58Å; L174-P229 HydrophobicContact CD2-CB 4.06Å; L174-P229 HydrophobicContact CD2-CG 4.04Å; L174-P229 HydrophobicContact CG-CG 4.35Å; L174-V234 HydrophobicContact CD2-CG2 4.09Å; L174-A237 HydrophobicContact CD1-CB 3.84Å; L174-A237 HydrophobicContact CD2-CB 3.82Å
175V97.7Very high98.2Very high0 Ų037.1 Ų37.10%020%0.198CC..  trans-112.2113.6-178.4-1730000108.2Y35 V173 G177 Y178 S179 Y206 L223 V226Y35-V175 HydrophobicContact CD1-CG2 3.66Å; Y35-V175 HydrophobicContact CE1-CG2 4.11Å; Y35-V175 HydrophobicContact CG-CG2 4.09Å; V173-V175 HydrophobicContact CB-CG2 4.5Å; V173-V175 HydrophobicContact CG1-CG2 3.74Å; V175-G177 PolarHBondContact O-N 3.41Å; V175-Y178 HydrophobicContact CG1-CD2 3.82Å; V175-Y178 HydrophobicContact CG1-CG 4.21Å; V175-Y178 PolarHBondContact O-N 2.75Å; V175-S179 PolarHBondContact N-OG 2.78Å; V175-S179 PolarHBondContact O-N 2.86Å; V175-Y206 HydrophobicContact CG1-CD2 4.25Å; V175-Y206 HydrophobicContact CG1-CG 4.2Å; V175-Y206 HydrophobicContact CG2-CD2 4.23Å; V175-Y206 HydrophobicContact CG2-CG 4.42Å; V175-L223 HydrophobicContact CG1-CD1 4.12Å; V175-V226 HydrophobicContact CG1-CG1 4.2Å
176P97.5Very high98.2Very high34 Ų3434.1 Ų34.122%0.22119%0.187CC..THydrogen-bonded Turntrans-55.4127.1-178.8-31.639.8000113.4Y178 D180 V226 E227 P229P176-Y178 VanDerWaalsContact C-N 3.31Å; P176-Y178 WeakPolarHBondContact O-CD2 3.33Å; P176-D180 WeakPolarHBondContact CA-OD2 3.35Å; P176-V226 HydrophobicContact CB-CG1 4.26Å; P176-V226 HydrophobicContact CG-CG1 4.49Å; P176-E227 WeakPolarHBondContact CG-O 3.38Å; P176-P229 HydrophobicContact CG-CB 3.96Å; P176-P229 HydrophobicContact CG-CG 4.3Å
177G96.5Very high98.2Very high68 Ų6838.3 Ų38.370%0.70121%0.206SC*.THydrogen-bonded Turntrans83.3-5.5-176.200000115.4V175 D180V175-G177 PolarHBondContact O-N 3.41Å; G177-D180 WeakPolarHBondContact CA-OD1 3.47Å; G177-D180 PolarHBondContact N-OD1 3.45Å; G177-D180 PolarHBondContact N-OD2 3.13Å
178Y97.6Very high98.3Very high84 Ų8436.4 Ų36.433%0.32919%0.193SC..THydrogen-bonded Turntrans-124.2-42-175.6-66.6-98.5000113.7L34 H137 L146 V175 P176 L223 V226L34-Y178 HydrophobicContact CD1-CD1 4.38Å; L34-Y178 HydrophobicContact CD1-CE1 3.9Å; H137-Y178 PolarHBondContact CD2-O 2.88Å; H137-Y178 VanDerWaalsContact CD2-O 3.26Å; H137-Y178 PolarHBondContact NE2-O 3.41Å; L146-Y178 HydrophobicContact CD1-CD1 4.1Å; L146-Y178 HydrophobicContact CD1-CG 4.38Å; V175-Y178 HydrophobicContact CG1-CD2 3.82Å; V175-Y178 HydrophobicContact CG1-CG 4.21Å; V175-Y178 PolarHBondContact O-N 2.75Å; P176-Y178 VanDerWaalsContact C-N 3.31Å; P176-Y178 WeakPolarHBondContact O-CD2 3.33Å; Y178-L223 HydrophobicContact CD1-CD2 4.5Å; Y178-L223 HydrophobicContact CD2-CD2 4.05Å; Y178-L223 HydrophobicContact CE1-CD2 3.91Å; Y178-L223 HydrophobicContact CE2-CD2 3.43Å; Y178-L223 VanDerWaalsContact CE2-CD2 3.43Å; Y178-L223 WeakPolarHBondContact OH-CD2 3.41Å; Y178-V226 HydrophobicContact CE2-CG2 3.92Å
179S98.2Very high98.3Very high1 Ų136.3 Ų36.31%0.00719%0.193CC..THydrogen-bonded Turntrans-13610.6-177.358.10000114.1H172 V173 V175H172-S179 PolarHBondContact NE2-O 2.93Å; V173-S179 PolarHBondContact O-OG 2.78Å; V175-S179 PolarHBondContact N-OG 2.78Å; V175-S179 PolarHBondContact O-N 2.86Å
180D98Very high98.3Very high66 Ų6640.9 Ų40.935%0.35322%0.216SC..  trans-98.55.4179.268.5-32.8000114.4L174 P176 G177 K182L174-D180 HydrophobicContact CD1-CB 3.62Å; L174-D180 HydrophobicContact CG-CB 4.14Å; P176-D180 WeakPolarHBondContact CA-OD2 3.35Å; G177-D180 WeakPolarHBondContact CA-OD1 3.47Å; G177-D180 PolarHBondContact N-OD1 3.45Å; G177-D180 PolarHBondContact N-OD2 3.13Å; D180-K182 PolarHBondContact O-N 3.14Å
181D98.2Very high98.3Very high64 Ų6441.5 Ų41.534%0.34222%0.218SC..  trans-62.3129.7177.8179.8-90.5000111.5D183 D184 L185D181-D183 PolarHBondContact O-N 3.47Å; D181-D183 WeakPolarHBondContact OD1-CB 3.44Å; D181-D183 PolarHBondContact OD1-N 3.27Å; D181-D184 HydrophobicContact CB-CB 4.23Å; D181-D184 PolarHBondContact O-N 2.74Å; D181-D184 PolarHBondContact OD1-N 3.09Å; D181-L185 VanDerWaalsContact O-CG 3.29Å; D181-L185 WeakPolarHBondContact O-CG 3.22Å; D181-L185 PolarHBondContact O-N 2.64Å
182K98.4Very high98.3Very high107 Ų10740.7 Ų40.747%0.46522%0.215SC..Hα-helixtrans-58.5-44.8-176.3178.6-176.3174.9-170.90112.9D180 D184 L185 I186 Y240D180-K182 PolarHBondContact O-N 3.14Å; K182-D184 VanDerWaalsContact C-N 3.33Å; K182-L185 PolarHBondContact O-N 2.99Å; K182-I186 HydrophobicContact CG-CD1 4.05Å; K182-I186 WeakPolarHBondContact O-CG1 3.36Å; K182-I186 PolarHBondContact O-N 3.19Å; K182-Y240 HydrophobicContact CB-CD2 4.16Å; K182-Y240 HydrophobicContact CB-CE2 4.12Å; K182-Y240 HydrophobicContact CD-CD1 4.4Å; K182-Y240 HydrophobicContact CD-CE1 4.05Å; K182-Y240 HydrophobicContact CD-CE2 4.48Å; K182-Y240 HydrophobicContact CG-CD1 4Å; K182-Y240 HydrophobicContact CG-CD2 3.94Å; K182-Y240 HydrophobicContact CG-CE1 4.06Å; K182-Y240 HydrophobicContact CG-CE2 4Å; K182-Y240 HydrophobicContact CG-CG 3.94Å
183D98.6Very high98.3Very high99 Ų9943.2 Ų43.253%0.52923%0.229SC..Hα-helixtrans-71-34.7-175.1-70.9-16.4000110.7D181 K187D181-D183 PolarHBondContact O-N 3.47Å; D181-D183 WeakPolarHBondContact OD1-CB 3.44Å; D181-D183 PolarHBondContact OD1-N 3.27Å; D183-K187 VanDerWaalsContact O-CG 3.32Å; D183-K187 WeakPolarHBondContact O-CG 3.43Å; D183-K187 PolarHBondContact O-N 3.13Å; D183-K187 VanDerWaalsContact O-N 3.08Å
184D98.6Very high98.3Very high9 Ų945.4 Ų45.45%0.04825%0.245CC..Hα-helixtrans-69.9-38.4173.5-67.6-31.5000112.6H137 I138 K142 D181 K182 I186 K187 L188H137-D184 IonicContact CE1-OD2 3.21Å; H137-D184 PolarHBondContact CE1-OD2 3.43Å; H137-D184 IonicContact NE2-OD2 3.48Å; H137-D184 PolarHBondContact NE2-OD2 3.41Å; I138-D184 HydrophobicContact CG2-CB 4.06Å; I138-D184 VanDerWaalsContact CG2-O 3.27Å; I138-D184 WeakPolarHBondContact CG2-O 3.13Å; K142-D184 WeakPolarHBondContact CD-OD2 3.34Å; K142-D184 WeakPolarHBondContact CE-OD2 3.49Å; K142-D184 IonicContact NZ-OD2 2.58Å; K142-D184 PolarHBondContact NZ-OD2 2.86Å; D181-D184 HydrophobicContact CB-CB 4.23Å; D181-D184 PolarHBondContact O-N 2.74Å; D181-D184 PolarHBondContact OD1-N 3.09Å; K182-D184 VanDerWaalsContact C-N 3.33Å; D184-I186 VanDerWaalsContact C-N 3.33Å; D184-I186 PolarHBondContact O-N 2.83Å; D184-K187 PolarHBondContact O-N 2.73Å; D184-K187 IonicContact OD1-NZ 2.66Å; D184-L188 WeakPolarHBondContact O-CB 3.41Å; D184-L188 PolarHBondContact O-N 3.38Å
185L98.8Very high98.3Very high3 Ų346 Ų462%0.01625%0.248CC..Hα-helixtrans-64.7-37.7174.5-70.8168000111.9L174 D181 K182 L188 G189 A237 Y240 V241L174-L185 HydrophobicContact CD1-CD1 4.32Å; L174-L185 HydrophobicContact CD1-CD2 4.38Å; D181-L185 VanDerWaalsContact O-CG 3.29Å; D181-L185 WeakPolarHBondContact O-CG 3.22Å; D181-L185 PolarHBondContact O-N 2.64Å; K182-L185 PolarHBondContact O-N 2.99Å; L185-L188 HydrophobicContact CD2-CD2 4.47Å; L185-L188 WeakPolarHBondContact O-CB 3.35Å; L185-L188 PolarHBondContact O-N 3.3Å; L185-G189 PolarHBondContact O-N 3.3Å; L185-A237 HydrophobicContact CD1-CB 3.71Å; L185-A237 HydrophobicContact CD2-CB 4.45Å; L185-Y240 HydrophobicContact CD1-CD2 4Å; L185-V241 HydrophobicContact CB-CG2 4.06Å; L185-V241 HydrophobicContact CD2-CG2 3.85Å; L185-V241 WeakPolarHBondContact O-CA 3.48Å
186I98.8Very high98.3Very high56 Ų5651.9 Ų51.929%0.28728%0.28SS..Hα-helixtrans-62-49172.9-70166000110.5K182 D184 L188 G189 E190K182-I186 HydrophobicContact CG-CD1 4.05Å; K182-I186 WeakPolarHBondContact O-CG1 3.36Å; K182-I186 PolarHBondContact O-N 3.19Å; D184-I186 VanDerWaalsContact C-N 3.33Å; D184-I186 PolarHBondContact O-N 2.83Å; I186-L188 VanDerWaalsContact C-N 3.32Å; I186-L188 PolarHBondContact O-N 2.8Å; I186-G189 CarbonylContact O-C 3.52Å; I186-G189 WeakPolarHBondContact O-CA 3.34Å; I186-G189 PolarHBondContact O-N 2.94Å; I186-G189 VanDerWaalsContact O-N 3.08Å; I186-E190 WeakPolarHBondContact O-CG 3.17Å; I186-E190 PolarHBondContact O-N 3.08Å
187K98.7Very high98.3Very high94 Ų9450.9 Ų50.941%0.40927%0.272SS..Hα-helixtrans-62-37.3177.4-71.2169-166.7161.40112.6I138 D183 D184 G189 E190 F191I138-K187 HydrophobicContact CG1-CB 4.25Å; I138-K187 HydrophobicContact CG2-CB 3.82Å; D183-K187 VanDerWaalsContact O-CG 3.32Å; D183-K187 WeakPolarHBondContact O-CG 3.43Å; D183-K187 PolarHBondContact O-N 3.13Å; D183-K187 VanDerWaalsContact O-N 3.08Å; D184-K187 PolarHBondContact O-N 2.73Å; D184-K187 IonicContact OD1-NZ 2.66Å; K187-G189 VanDerWaalsContact C-N 3.32Å; K187-E190 PolarHBondContact O-N 3.22Å; K187-F191 WeakPolarHBondContact O-CB 3.3Å; K187-F191 PolarHBondContact O-N 3.08Å
188L98.8Very high98.4Very high2 Ų248.4 Ų48.41%0.0124%0.244CC..Hα-helixtrans-59.7-47.1172.5173.762.1000110.1I135 I138 H172 D184 L185 I186 F191 I192 F201 V241I135-L188 HydrophobicContact CB-CD1 4.01Å; I135-L188 HydrophobicContact CG2-CD1 3.57Å; I138-L188 HydrophobicContact CB-CB 4.31Å; H172-L188 HydrophobicContact CB-CD2 4.07Å; D184-L188 WeakPolarHBondContact O-CB 3.41Å; D184-L188 PolarHBondContact O-N 3.38Å; L185-L188 HydrophobicContact CD2-CD2 4.47Å; L185-L188 WeakPolarHBondContact O-CB 3.35Å; L185-L188 PolarHBondContact O-N 3.3Å; I186-L188 VanDerWaalsContact C-N 3.32Å; I186-L188 PolarHBondContact O-N 2.8Å; L188-F191 WeakPolarHBondContact O-CB 3.17Å; L188-F191 PolarHBondContact O-N 3.32Å; L188-I192 HydrophobicContact CD1-CG2 3.97Å; L188-I192 WeakPolarHBondContact O-CG1 3.36Å; L188-I192 WeakPolarHBondContact O-CG2 3.41Å; L188-I192 PolarHBondContact O-N 3.25Å; L188-F201 HydrophobicContact CD2-CE2 4.09Å; L188-F201 HydrophobicContact CD2-CZ 4.06Å; L188-V241 HydrophobicContact CD2-CG2 4.25Å
189G98.7Very high98.5Very high1 Ų148.8 Ų48.81%0.0125%0.249CC..Hα-helixtrans-54.5-50.4173.700000114.1L185 I186 K187 F191 I192 N193 V241L185-G189 PolarHBondContact O-N 3.3Å; I186-G189 CarbonylContact O-C 3.52Å; I186-G189 WeakPolarHBondContact O-CA 3.34Å; I186-G189 PolarHBondContact O-N 2.94Å; I186-G189 VanDerWaalsContact O-N 3.08Å; K187-G189 VanDerWaalsContact C-N 3.32Å; G189-F191 VanDerWaalsContact C-N 3.3Å; G189-F191 PolarHBondContact O-N 2.83Å; G189-I192 WeakPolarHBondContact O-CG1 3.45Å; G189-I192 PolarHBondContact O-N 3.12Å; G189-N193 VanDerWaalsContact O-CB 3.25Å; G189-N193 WeakPolarHBondContact O-CB 3.29Å; G189-N193 VanDerWaalsContact O-CG 3.32Å; G189-N193 PolarHBondContact O-N 2.83Å; G189-N193 PolarHBondContact O-ND2 3.31Å; G189-V241 WeakPolarHBondContact CA-O 3.33Å
190E98.6Very high98.4Very high131 Ų13150.8 Ų50.861%0.61226%0.257SS*.Hα-helixtrans-57.9-43.5175.6-69.6173.7168.700111.5I186 K187 S194I186-E190 WeakPolarHBondContact O-CG 3.17Å; I186-E190 PolarHBondContact O-N 3.08Å; K187-E190 PolarHBondContact O-N 3.22Å; E190-S194 PolarHBondContact O-N 3Å
191F98.8Very high98.5Very high14 Ų1447.7 Ų47.76%0.06124%0.241CC..Hα-helixtrans-63.8-53178.1176.8-102.1000112I138 L155 A158 R159 K187 L188 G189 N193 S194 L195I138-F191 HydrophobicContact CD1-CB 3.7Å; I138-F191 HydrophobicContact CD1-CD1 4.05Å; I138-F191 HydrophobicContact CD1-CD2 4.43Å; I138-F191 HydrophobicContact CD1-CG 3.8Å; L155-F191 HydrophobicContact CB-CE2 4.14Å; L155-F191 HydrophobicContact CB-CZ 3.95Å; L155-F191 HydrophobicContact CD2-CD1 4.17Å; L155-F191 HydrophobicContact CD2-CE1 3.66Å; L155-F191 HydrophobicContact CD2-CE2 4.18Å; L155-F191 HydrophobicContact CD2-CZ 3.67Å; L155-F191 HydrophobicContact CG-CZ 4.36Å; A158-F191 HydrophobicContact CB-CE1 4.09Å; A158-F191 HydrophobicContact CB-CZ 3.91Å; R159-F191 HydrophobicContact CG-CE2 4.36Å; K187-F191 WeakPolarHBondContact O-CB 3.3Å; K187-F191 PolarHBondContact O-N 3.08Å; L188-F191 WeakPolarHBondContact O-CB 3.17Å; L188-F191 PolarHBondContact O-N 3.32Å; G189-F191 VanDerWaalsContact C-N 3.3Å; G189-F191 PolarHBondContact O-N 2.83Å; F191-N193 VanDerWaalsContact C-N 3.34Å; F191-N193 PolarHBondContact O-N 2.93Å; F191-S194 WeakPolarHBondContact O-CB 3.47Å; F191-S194 PolarHBondContact O-N 3.49Å; F191-S194 PolarHBondContact O-OG 2.58Å; F191-L195 HydrophobicContact CD1-CD1 4.47Å; F191-L195 HydrophobicContact CE1-CD1 3.93Å; F191-L195 HydrophobicContact CZ-CD1 4.28Å
192I98.6Very high98.4Very high0 Ų045.9 Ų45.90%023%0.23CC..Hα-helixtrans-69.7-31.2-175.965.8176.3000112.6I170 L188 G189 S194 L195 F201 V241 F243I170-I192 HydrophobicContact CB-CG2 4.4Å; I170-I192 HydrophobicContact CG1-CG2 4.1Å; I170-I192 HydrophobicContact CG2-CG2 4.02Å; L188-I192 HydrophobicContact CD1-CG2 3.97Å; L188-I192 WeakPolarHBondContact O-CG1 3.36Å; L188-I192 WeakPolarHBondContact O-CG2 3.41Å; L188-I192 PolarHBondContact O-N 3.25Å; G189-I192 WeakPolarHBondContact O-CG1 3.45Å; G189-I192 PolarHBondContact O-N 3.12Å; I192-S194 PolarHBondContact O-N 3.38Å; I192-L195 PolarHBondContact O-N 3.4Å; I192-F201 HydrophobicContact CD1-CB 4.14Å; I192-F201 HydrophobicContact CD1-CD1 4.42Å; I192-F201 HydrophobicContact CD1-CD2 3.63Å; I192-F201 HydrophobicContact CD1-CE2 4.13Å; I192-F201 HydrophobicContact CD1-CG 3.8Å; I192-V241 HydrophobicContact CD1-CG1 3.56Å; I192-V241 HydrophobicContact CG1-CG1 4.47Å; I192-F243 HydrophobicContact CD1-CB 3.97Å; I192-F243 HydrophobicContact CD1-CD2 3.6Å; I192-F243 HydrophobicContact CD1-CE2 4.35Å; I192-F243 HydrophobicContact CD1-CG 3.9Å; I192-F243 HydrophobicContact CG1-CD2 3.75Å; I192-F243 HydrophobicContact CG1-CE2 4.32Å
193N98.6Very high98.4Very high58 Ų5841.2 Ų41.231%0.3121%0.21SC..Hα-helixtrans-71.7-14.7173-75.4-52.2000112.5G189 F191 L195 N242 F243 K244G189-N193 VanDerWaalsContact O-CB 3.25Å; G189-N193 WeakPolarHBondContact O-CB 3.29Å; G189-N193 VanDerWaalsContact O-CG 3.32Å; G189-N193 PolarHBondContact O-N 2.83Å; G189-N193 PolarHBondContact O-ND2 3.31Å; F191-N193 VanDerWaalsContact C-N 3.34Å; F191-N193 PolarHBondContact O-N 2.93Å; N193-L195 VanDerWaalsContact C-N 3.29Å; N193-N242 PolarHBondContact ND2-O 3.46Å; N193-F243 VanDerWaalsContact OD1-CD2 3.29Å; N193-F243 WeakPolarHBondContact OD1-CD2 3.23Å; N193-K244 WeakPolarHBondContact OD1-CG 3.35Å; N193-K244 PolarHBondContact OD1-N 3.47Å
194S98.5Very high98.3Very high61 Ų6138.7 Ų38.743%0.42720%0.196SC..THydrogen-bonded Turntrans-82.6-5.7172.3800000113.7E190 F191 I192E190-S194 PolarHBondContact O-N 3Å; F191-S194 WeakPolarHBondContact O-CB 3.47Å; F191-S194 PolarHBondContact O-N 3.49Å; F191-S194 PolarHBondContact O-OG 2.58Å; I192-S194 PolarHBondContact O-N 3.38Å
195L98.5Very high98.2Very high13 Ų1340.3 Ų40.37%0.06821%0.207CC..  trans-100.5130.1-179.8-55.3178.4000109.9A158 R159 F191 I192 N193 N197 V198A158-L195 HydrophobicContact CB-CD1 4.16Å; R159-L195 HydrophobicContact CG-CD2 4.2Å; F191-L195 HydrophobicContact CD1-CD1 4.47Å; F191-L195 HydrophobicContact CE1-CD1 3.93Å; F191-L195 HydrophobicContact CZ-CD1 4.28Å; I192-L195 PolarHBondContact O-N 3.4Å; N193-L195 VanDerWaalsContact C-N 3.29Å; L195-N197 VanDerWaalsContact C-N 3.31Å; L195-N197 PolarHBondContact O-N 3.17Å; L195-V198 HydrophobicContact CB-CG2 3.74Å; L195-V198 HydrophobicContact CD1-CG2 3.89Å; L195-V198 HydrophobicContact CG-CG2 4.44Å
196D97.3Very high98Very high125 Ų12540.2 Ų40.267%0.66821%0.207SC*.THydrogen-bonded Turntrans-85.3-2.5-173.2-71.2-26.7000113.8S162 K165S162-D196 PolarHBondContact OG-N 3.02Å; K165-D196 IonicContact NZ-OD2 2.74Å; K165-D196 PolarHBondContact NZ-OD2 3.03Å
197N98.4Very high97.6Very high12 Ų1241.6 Ų41.66%0.06421%0.212CC..THydrogen-bonded Turntrans-120.41.7-168.771.7-45.5000113.9L161 S162 Q166 V168 L195 E199L161-N197 PolarHBondContact O-ND2 2.89Å; S162-N197 WeakPolarHBondContact CA-OD1 3.47Å; S162-N197 VanDerWaalsContact CB-OD1 3.22Å; S162-N197 WeakPolarHBondContact CB-OD1 3.5Å; S162-N197 PolarHBondContact N-ND2 3.17Å; Q166-N197 VanDerWaalsContact O-CB 3.3Å; Q166-N197 WeakPolarHBondContact O-CB 3.45Å; Q166-N197 PolarHBondContact O-ND2 2.97Å; V168-N197 VanDerWaalsContact CG2-ND2 3.33Å; V168-N197 WeakPolarHBondContact CG2-ND2 3.4Å; V168-N197 PolarHBondContact N-O 2.84Å; V168-N197 VanDerWaalsContact N-O 3.08Å; L195-N197 VanDerWaalsContact C-N 3.31Å; L195-N197 PolarHBondContact O-N 3.17Å; N197-E199 PolarHBondContact O-N 2.81Å
198V98.7Very high96.9Very high16 Ų1641.6 Ų41.610%0.09721%0.213CC..EExtended strand (participates in β ladder)trans-80.4111.2178.6-177.40000108.9V168 I170 L195 K200 F243V168-V198 CarbonylContact O-C 3.56Å; V168-V198 WeakPolarHBondContact O-CA 3.33Å; I170-V198 HydrophobicContact CB-CG1 4.31Å; I170-V198 HydrophobicContact CD1-CG2 4.41Å; I170-V198 HydrophobicContact CG1-CB 4.45Å; I170-V198 HydrophobicContact CG1-CG1 3.73Å; I170-V198 HydrophobicContact CG1-CG2 3.77Å; L195-V198 HydrophobicContact CB-CG2 3.74Å; L195-V198 HydrophobicContact CD1-CG2 3.89Å; L195-V198 HydrophobicContact CG-CG2 4.44Å; V198-K200 WeakPolarHBondContact CG1-O 3.48Å; V198-F243 HydrophobicContact CB-CE2 4.2Å; V198-F243 HydrophobicContact CB-CZ 3.94Å; V198-F243 HydrophobicContact CG1-CE1 4.2Å; V198-F243 HydrophobicContact CG1-CE2 3.94Å; V198-F243 HydrophobicContact CG1-CZ 3.49Å; V198-F243 VanDerWaalsContact CG1-CZ 3.49Å
199E97.9Very high96.1Very high93 Ų9346.8 Ų46.844%0.43524%0.24SC..EExtended strand (participates in β ladder)trans-86.9-30.7-178.5-59.3-170.5157.700112.7P167 V168 N197 K246P167-E199 HydrophobicContact CB-CG 4.48Å; V168-E199 PolarHBondContact O-N 2.92Å; N197-E199 PolarHBondContact O-N 2.81Å; E199-K246 WeakPolarHBondContact O-CB 3.18Å
200K98Very high95.4Very high43 Ų4347.1 Ų47.119%0.18724%0.244CC..EExtended strand (participates in β ladder)trans-147.4143.5-175.8-164.6-176-175.3-173.80110.7W169 I170 V198 E202 K246W169-K200 CarbonylContact C-O 3.48Å; W169-K200 VanDerWaalsContact CA-O 3.29Å; W169-K200 WeakPolarHBondContact CA-O 3.37Å; W169-K200 HydrophobicContact CB-CB 4.24Å; W169-K200 HydrophobicContact CD2-CB 3.86Å; W169-K200 HydrophobicContact CD2-CD 3.77Å; W169-K200 HydrophobicContact CD2-CG 4.43Å; W169-K200 HydrophobicContact CE3-CD 3.73Å; W169-K200 HydrophobicContact CG-CB 3.64Å; W169-K200 HydrophobicContact CG-CD 4.4Å; W169-K200 HydrophobicContact CH2-CD 4.1Å; W169-K200 HydrophobicContact CZ2-CD 4.12Å; W169-K200 HydrophobicContact CZ3-CD 3.91Å; I170-K200 PolarHBondContact N-O 3.16Å; V198-K200 WeakPolarHBondContact CG1-O 3.48Å; K200-E202 HydrophobicContact CD-CG 3.98Å; K200-E202 WeakPolarHBondContact CD-OE1 3.35Å; K200-E202 WeakPolarHBondContact CE-OE1 3.43Å; K200-E202 HydrophobicContact CG-CG 4.18Å; K200-E202 IonicContact NZ-OE1 2.72Å; K200-E202 PolarHBondContact NZ-OE1 3.02Å; K200-K246 VanDerWaalsContact CA-O 3.31Å; K200-K246 WeakPolarHBondContact CA-O 3.47Å; K200-K246 HydrophobicContact CB-CB 4.5Å; K200-K246 HydrophobicContact CG-CB 4.29Å
201F98.5Very high94.9Very high1 Ų141.7 Ų41.70%0.00422%0.22CC..EExtended strand (participates in β ladder)trans-116.9131.7168174.2-108.6000110I170 H172 L188 I192 I203 Y238 V241 F243 K246 I247 P248I170-F201 HydrophobicContact CB-CD2 4.03Å; I170-F201 HydrophobicContact CG2-CD2 3.86Å; I170-F201 HydrophobicContact CG2-CE2 4.09Å; I170-F201 WeakPolarHBondContact O-CA 3.21Å; H172-F201 HydrophobicContact CB-CE2 3.82Å; H172-F201 HydrophobicContact CB-CZ 3.92Å; L188-F201 HydrophobicContact CD2-CE2 4.09Å; L188-F201 HydrophobicContact CD2-CZ 4.06Å; I192-F201 HydrophobicContact CD1-CB 4.14Å; I192-F201 HydrophobicContact CD1-CD1 4.42Å; I192-F201 HydrophobicContact CD1-CD2 3.63Å; I192-F201 HydrophobicContact CD1-CE2 4.13Å; I192-F201 HydrophobicContact CD1-CG 3.8Å; F201-I203 HydrophobicContact CE1-CD1 3.95Å; F201-I203 HydrophobicContact CE1-CG1 3.51Å; F201-I203 HydrophobicContact CZ-CD1 4.32Å; F201-I203 HydrophobicContact CZ-CG1 3.69Å; F201-Y238 HydrophobicContact CD1-CD1 4.01Å; F201-Y238 AromaticContact CD1-CE1 3.91Å; F201-Y238 HydrophobicContact CD1-CE1 3.91Å; F201-Y238 HydrophobicContact CE1-CD1 4.05Å; F201-Y238 HydrophobicContact CE1-CE1 4.07Å; F201-V241 HydrophobicContact CD1-CG1 3.93Å; F201-V241 HydrophobicContact CE1-CB 3.92Å; F201-V241 HydrophobicContact CE1-CG1 3.59Å; F201-V241 HydrophobicContact CE1-CG2 3.85Å; F201-V241 HydrophobicContact CE2-CG1 4.43Å; F201-V241 HydrophobicContact CG-CG1 4.49Å; F201-V241 HydrophobicContact CZ-CB 4.33Å; F201-V241 HydrophobicContact CZ-CG1 3.87Å; F201-V241 HydrophobicContact CZ-CG2 3.87Å; F201-F243 HydrophobicContact CB-CB 4.16Å; F201-F243 HydrophobicContact CB-CD1 3.43Å; F201-F243 VanDerWaalsContact CB-CD1 3.43Å; F201-F243 HydrophobicContact CB-CE1 3.93Å; F201-F243 HydrophobicContact CB-CG 3.82Å; F201-F243 HydrophobicContact CD1-CB 4.42Å; F201-K246 PolarHBondContact N-O 2.78Å; F201-I247 HydrophobicContact CB-CG2 4.37Å; F201-I247 HydrophobicContact CD1-CG2 4.39Å; F201-P248 WeakPolarHBondContact O-CD 3.23Å
202E97.7Very high94.6Very high25 Ų2546.9 Ų46.912%0.11724%0.244CC..EExtended strand (participates in β ladder)trans-127.4128.2-179.5-61.9-175.5153.900111I170 R171 H172 K200 P248I170-E202 PolarHBondContact O-N 3.44Å; R171-E202 CarbonylContact C-O 3.58Å; R171-E202 WeakPolarHBondContact CA-O 3.15Å; R171-E202 HydrophobicContact CG-CB 4.43Å; R171-E202 IonicContact NE-OE2 3.93Å; H172-E202 PolarHBondContact N-O 3.15Å; K200-E202 HydrophobicContact CD-CG 3.98Å; K200-E202 WeakPolarHBondContact CD-OE1 3.35Å; K200-E202 WeakPolarHBondContact CE-OE1 3.43Å; K200-E202 HydrophobicContact CG-CG 4.18Å; K200-E202 IonicContact NZ-OE1 2.72Å; K200-E202 PolarHBondContact NZ-OE1 3.02Å; E202-P248 HydrophobicContact CG-CG 4.42Å
203I97.9Very high94.3Very high9 Ų948.5 Ų48.55%0.04625%0.251CS..EExtended strand (participates in β ladder)trans-91129.1164.7-63.5-177.7000108.5H172 L174 F201 V234 A237 Y238H172-I203 CarbonylContact O-C 3.53Å; H172-I203 WeakPolarHBondContact O-CA 3.42Å; L174-I203 HydrophobicContact CB-CG2 3.57Å; L174-I203 HydrophobicContact CD2-CG2 4.18Å; L174-I203 HydrophobicContact CG-CG2 4.42Å; F201-I203 HydrophobicContact CE1-CD1 3.95Å; F201-I203 HydrophobicContact CE1-CG1 3.51Å; F201-I203 HydrophobicContact CZ-CD1 4.32Å; F201-I203 HydrophobicContact CZ-CG1 3.69Å; I203-V234 HydrophobicContact CG2-CG1 4.28Å; I203-A237 HydrophobicContact CD1-CB 3.53Å; I203-Y238 HydrophobicContact CB-CD2 4.46Å; I203-Y238 HydrophobicContact CB-CE1 4.22Å; I203-Y238 HydrophobicContact CB-CE2 3.79Å; I203-Y238 HydrophobicContact CD1-CD1 3.99Å; I203-Y238 HydrophobicContact CD1-CD2 3.85Å; I203-Y238 HydrophobicContact CD1-CE1 4.18Å; I203-Y238 HydrophobicContact CD1-CE2 4.05Å; I203-Y238 HydrophobicContact CD1-CG 3.81Å; I203-Y238 HydrophobicContact CG1-CD1 4.16Å; I203-Y238 HydrophobicContact CG1-CD2 4.34Å; I203-Y238 HydrophobicContact CG1-CE1 3.85Å; I203-Y238 HydrophobicContact CG1-CE2 4.06Å; I203-Y238 HydrophobicContact CG1-CG 4.39Å; I203-Y238 PolarHBondContact N-OH 3.4Å
204L96.3Very high94.1Very high46 Ų4646.1 Ų46.124%0.24124%0.237CC..EExtended strand (participates in β ladder)trans-104107.3172.1-53.9179.3000108.1R171 H172 V173 L174 Y206R171-L204 HydrophobicContact CB-CD1 4.29Å; H172-L204 PolarHBondContact O-N 3.19Å; V173-L204 CarbonylContact C-O 3.5Å; V173-L204 VanDerWaalsContact CA-O 3.26Å; V173-L204 WeakPolarHBondContact CA-O 3.27Å; V173-L204 HydrophobicContact CG2-CB 4.18Å; V173-L204 HydrophobicContact CG2-CD1 4.18Å; L174-L204 PolarHBondContact N-O 3.18Å; L204-Y206 PolarHBondContact O-N 3.47Å
205P96.4Very high93.8Very high43 Ų4350.1 Ų50.128%0.27925%0.247SC..EExtended strand (participates in β ladder)trans-57.5135.1174.9-25.136.2000110.7H207 P229 V234P205-H207 PolarHBondContact O-N 3.14Å; P205-P229 HydrophobicContact CB-CG 3.98Å; P205-V234 HydrophobicContact CB-CG2 4.24Å; P205-V234 HydrophobicContact CG-CG2 3.8Å
206Y95.3Very high93.5Very high1 Ų155.2 Ų55.20%0.00428%0.279CS..  trans-56.8136.5171.3169.2-104.6000111.1L174 V175 L204 Q208 Y221 L223 V226 A228L174-Y206 WeakPolarHBondContact O-CB 3.38Å; L174-Y206 PolarHBondContact O-N 2.58Å; V175-Y206 HydrophobicContact CG1-CD2 4.25Å; V175-Y206 HydrophobicContact CG1-CG 4.2Å; V175-Y206 HydrophobicContact CG2-CD2 4.23Å; V175-Y206 HydrophobicContact CG2-CG 4.42Å; L204-Y206 PolarHBondContact O-N 3.47Å; Y206-Q208 HydrophobicContact CE1-CG 4.02Å; Y206-Q208 WeakPolarHBondContact OH-CG 3.18Å; Y206-Y221 VanDerWaalsContact CE2-OH 3.3Å; Y206-Y221 WeakPolarHBondContact CE2-OH 3.47Å; Y206-Y221 WeakPolarHBondContact OH-CE1 3.29Å; Y206-Y221 PolarHBondContact OH-OH 2.76Å; Y206-L223 HydrophobicContact CE2-CD1 3.93Å; Y206-L223 PolarHBondContact OH-O 2.7Å; Y206-V226 HydrophobicContact CD1-CG1 3.92Å; Y206-V226 HydrophobicContact CE1-CB 4.07Å; Y206-V226 HydrophobicContact CE1-CG1 3.87Å; Y206-V226 WeakPolarHBondContact CE1-O 3.29Å; Y206-A228 WeakPolarHBondContact O-CA 3.08Å; Y206-A228 WeakPolarHBondContact O-CB 3.13Å
207H89.1Confident93.3Very high85 Ų8552.9 Ų52.939%0.39427%0.266SS..  trans-137.1151.1172.8-65.5-40.2000109.8H37 P205 L209H37-H207 PolarHBondContact NE2-O 3.48Å; P205-H207 PolarHBondContact O-N 3.14Å; H207-L209 HydrophobicContact CB-CD1 4.38Å; H207-L209 HydrophobicContact CB-CG 4.17Å; H207-L209 PolarHBondContact O-N 3.21Å
208Q84.8Confident93.1Very high94 Ų9455.7 Ų55.744%0.43930%0.298SS..  trans-7828.2176.4-67.2-172.7-11.500113.1Y206 V211 E224 V226Y206-Q208 HydrophobicContact CE1-CG 4.02Å; Y206-Q208 WeakPolarHBondContact OH-CG 3.18Å; Q208-V211 HydrophobicContact CB-CG2 3.9Å; Q208-V211 HydrophobicContact CG-CG2 4.48Å; Q208-V211 VanDerWaalsContact O-CG2 3.27Å; Q208-V211 WeakPolarHBondContact O-CG2 3.34Å; Q208-E224 PolarHBondContact NE2-O 3.11Å; Q208-V226 PolarHBondContact NE2-O 2.85Å; Q208-V226 VanDerWaalsContact NE2-O 3.13Å
209L82.6Confident92.8Very high111 Ų11158 Ų5858%0.58131%0.309SS*.THydrogen-bonded Turntrans-70.3137.8174.5-69.1174.9000109.7H37 H207 V211H37-L209 PolarHBondContact CD2-O 3.1Å; H207-L209 HydrophobicContact CB-CD1 4.38Å; H207-L209 HydrophobicContact CB-CG 4.17Å; H207-L209 PolarHBondContact O-N 3.21Å; L209-V211 VanDerWaalsContact C-N 3.31Å; L209-V211 PolarHBondContact O-N 2.93Å
210G82.8Confident92.5Very high8 Ų857.6 Ų57.68%0.08232%0.321CS..THydrogen-bonded Turntrans82-4.4-179.800000115.7H212 K213G210-H212 PolarHBondContact O-N 3.29Å; G210-H212 VanDerWaalsContact O-N 3.12Å; G210-K213 WeakPolarHBondContact O-CA 3.33Å; G210-K213 VanDerWaalsContact O-CB 3.23Å; G210-K213 WeakPolarHBondContact O-CB 3.43Å; G210-K213 PolarHBondContact O-N 3.26Å
211V89Confident92.3Very high18 Ų1856 Ų5611%0.10932%0.315CS..Hα-helixtrans-54.8-34.6177.71750000112.5Q208 L209 K213 W214 K215 Y221Q208-V211 HydrophobicContact CB-CG2 3.9Å; Q208-V211 HydrophobicContact CG-CG2 4.48Å; Q208-V211 VanDerWaalsContact O-CG2 3.27Å; Q208-V211 WeakPolarHBondContact O-CG2 3.34Å; L209-V211 VanDerWaalsContact C-N 3.31Å; L209-V211 PolarHBondContact O-N 2.93Å; V211-K213 PolarHBondContact O-N 2.75Å; V211-W214 WeakPolarHBondContact O-CB 3.25Å; V211-W214 PolarHBondContact O-N 3.01Å; V211-K215 PolarHBondContact O-N 3.32Å; V211-Y221 HydrophobicContact CG1-CD1 4Å; V211-Y221 HydrophobicContact CG1-CE1 4.42Å; V211-Y221 HydrophobicContact CG1-CG 4.34Å; V211-Y221 HydrophobicContact CG2-CD1 3.84Å; V211-Y221 HydrophobicContact CG2-CE1 3.42Å; V211-Y221 VanDerWaalsContact CG2-CE1 3.42Å; V211-Y221 HydrophobicContact CG2-CE2 4.24Å; V211-Y221 HydrophobicContact CG2-CG 4.41Å
212H91.4Very high92Very high123 Ų12362.3 Ų62.357%0.56934%0.344SS*.Hα-helixtrans-60.6-31.6174.367.1-84.7000113.1G210 K215 T216G210-H212 PolarHBondContact O-N 3.29Å; G210-H212 VanDerWaalsContact O-N 3.12Å; H212-K215 WeakPolarHBondContact O-CB 3.47Å; H212-K215 PolarHBondContact O-N 3.08Å; H212-T216 PolarHBondContact O-N 3.21Å; H212-T216 PolarHBondContact O-OG1 3.36Å; H212-T216 VanDerWaalsContact O-OG1 3.08Å
213K93Very high91.8Very high33 Ų3361.1 Ų61.114%0.14334%0.338CS..Hα-helixtrans-68.5-38.6178-59.3176.9165.2-156.50111.7H37 N38 P39 D40 G210 V211 K215 T216 L217H37-K213 WeakPolarHBondContact O-CD 3.35Å; N38-K213 PolarHBondContact OD1-NZ 2.62Å; P39-K213 HydrophobicContact CG-CB 3.79Å; D40-K213 IonicContact OD1-NZ 3Å; D40-K213 PolarHBondContact OD1-NZ 2.86Å; D40-K213 VanDerWaalsContact OD1-NZ 3.08Å; D40-K213 VanDerWaalsContact OD2-CD 3.29Å; D40-K213 WeakPolarHBondContact OD2-CD 3.46Å; D40-K213 WeakPolarHBondContact OD2-CE 3.49Å; D40-K213 IonicContact OD2-NZ 3.98Å; D40-K213 PolarHBondContact OD2-NZ 2.9Å; G210-K213 WeakPolarHBondContact O-CA 3.33Å; G210-K213 VanDerWaalsContact O-CB 3.23Å; G210-K213 WeakPolarHBondContact O-CB 3.43Å; G210-K213 PolarHBondContact O-N 3.26Å; V211-K213 PolarHBondContact O-N 2.75Å; K213-K215 VanDerWaalsContact C-N 3.31Å; K213-K215 PolarHBondContact O-N 3.38Å; K213-T216 PolarHBondContact O-N 3.02Å; K213-L217 WeakPolarHBondContact O-CB 3.46Å; K213-L217 VanDerWaalsContact O-CG 3.26Å; K213-L217 WeakPolarHBondContact O-CG 3.38Å; K213-L217 PolarHBondContact O-N 3.26Å
214W94.4Very high91.5Very high8 Ų866.1 Ų66.13%0.0336%0.361CS..Hα-helixtrans-58.1-46.2172.7-67.480.9000110.8C36 P39 W42 V211 L217 G218 I219 Y221C36-W214 HydrophobicContact CB-CZ2 3.92Å; C36-W214 PolarHBondContact O-NE1 2.91Å; P39-W214 HydrophobicContact CB-CD2 4.28Å; P39-W214 HydrophobicContact CB-CZ2 4.38Å; P39-W214 HydrophobicContact CG-CD2 4.18Å; P39-W214 HydrophobicContact CG-CG 4.02Å; W42-W214 HydrophobicContact CH2-CE3 4.47Å; W42-W214 AromaticContact CH2-CH2 3.35Å; W42-W214 HydrophobicContact CH2-CH2 3.35Å; W42-W214 AromaticContact CH2-CZ2 3.97Å; W42-W214 HydrophobicContact CH2-CZ2 3.97Å; W42-W214 AromaticContact CH2-CZ3 3.64Å; W42-W214 HydrophobicContact CH2-CZ3 3.64Å; W42-W214 AromaticContact CZ2-CH2 3.73Å; W42-W214 HydrophobicContact CZ2-CH2 3.73Å; W42-W214 AromaticContact CZ2-CZ2 3.94Å; W42-W214 HydrophobicContact CZ2-CZ2 3.94Å; W42-W214 HydrophobicContact CZ2-CZ3 4.43Å; W42-W214 HydrophobicContact CZ3-CH2 4.49Å; W42-W214 HydrophobicContact CZ3-CZ3 4.42Å; V211-W214 WeakPolarHBondContact O-CB 3.25Å; V211-W214 PolarHBondContact O-N 3.01Å; W214-L217 PolarHBondContact O-N 2.75Å; W214-G218 PolarHBondContact O-N 3.37Å; W214-G218 VanDerWaalsContact O-N 3.12Å; W214-I219 CarbonylContact C-O 3.53Å; W214-I219 HydrophobicContact CE3-CB 3.98Å; W214-I219 HydrophobicContact CE3-CG2 3.55Å; W214-I219 HydrophobicContact CZ3-CG2 3.72Å; W214-I219 PolarHBondContact O-N 3.13Å; W214-Y221 HydrophobicContact CB-CD2 4.36Å; W214-Y221 AromaticContact CD1-CD2 3.71Å; W214-Y221 AromaticContact CD1-CE2 3.99Å; W214-Y221 AromaticContact CD2-CD2 3.54Å; W214-Y221 HydrophobicContact CD2-CD2 3.54Å; W214-Y221 HydrophobicContact CD2-CE2 4.23Å; W214-Y221 AromaticContact CE2-CD2 3.58Å; W214-Y221 AromaticContact CE2-CE2 3.78Å; W214-Y221 HydrophobicContact CE3-CD2 4.05Å; W214-Y221 AromaticContact CG-CD2 3.65Å; W214-Y221 HydrophobicContact CG-CD2 3.65Å; W214-Y221 HydrophobicContact CG-CE2 4.36Å; W214-Y221 HydrophobicContact CG-CG 4.37Å; W214-Y221 HydrophobicContact CZ2-CD2 4.12Å; W214-Y221 HydrophobicContact CZ2-CE2 4.15Å; W214-Y221 AromaticContact NE1-CD2 3.7Å; W214-Y221 AromaticContact NE1-CE2 3.66Å
215K91.9Very high91.2Very high146 Ų14671.6 Ų71.664%0.63539%0.391SS*.Hα-helixtrans-60.5-46.2175.1-63.9179.7179.8179.60112V211 H212 K213 L217 G218V211-K215 PolarHBondContact O-N 3.32Å; H212-K215 WeakPolarHBondContact O-CB 3.47Å; H212-K215 PolarHBondContact O-N 3.08Å; K213-K215 VanDerWaalsContact C-N 3.31Å; K213-K215 PolarHBondContact O-N 3.38Å; K215-L217 VanDerWaalsContact C-N 3.29Å; K215-L217 PolarHBondContact O-N 3Å; K215-G218 PolarHBondContact O-N 2.89Å; K215-G218 VanDerWaalsContact O-N 3.11Å
216T92.5Very high91.1Very high120 Ų12070.4 Ų70.474%0.73638%0.383SS*.Hα-helixtrans-61.4-35.8177.3-60.60000112.7H212 K213 G218H212-T216 PolarHBondContact O-N 3.21Å; H212-T216 PolarHBondContact O-OG1 3.36Å; H212-T216 VanDerWaalsContact O-OG1 3.08Å; K213-T216 PolarHBondContact O-N 3.02Å; T216-G218 VanDerWaalsContact C-N 3.29Å
217L92.4Very high91.1Very high75 Ų7577.2 Ų77.239%0.39342%0.415SS..THydrogen-bonded Turntrans-81.3-6178-66.4170.5000113.5P39 D40 K213 W214 K215 I219P39-L217 HydrophobicContact CB-CD1 3.9Å; P39-L217 HydrophobicContact CG-CD1 3.87Å; D40-L217 HydrophobicContact CB-CD1 4.34Å; K213-L217 WeakPolarHBondContact O-CB 3.46Å; K213-L217 VanDerWaalsContact O-CG 3.26Å; K213-L217 WeakPolarHBondContact O-CG 3.38Å; K213-L217 PolarHBondContact O-N 3.26Å; W214-L217 PolarHBondContact O-N 2.75Å; K215-L217 VanDerWaalsContact C-N 3.29Å; K215-L217 PolarHBondContact O-N 3Å; L217-I219 VanDerWaalsContact C-N 3.28Å; L217-I219 HydrophobicContact CB-CD1 3.86Å; L217-I219 HydrophobicContact CB-CG1 3.89Å; L217-I219 HydrophobicContact CD1-CD1 4.2Å; L217-I219 PolarHBondContact O-N 3.28Å
218G94Very high91.3Very high71 Ų7175.4 Ų75.473%0.73242%0.415SS*.THydrogen-bonded Turntrans67.726.8-175.700000113.6W214 K215 T216W214-G218 PolarHBondContact O-N 3.37Å; W214-G218 VanDerWaalsContact O-N 3.12Å; K215-G218 PolarHBondContact O-N 2.89Å; K215-G218 VanDerWaalsContact O-N 3.11Å; T216-G218 VanDerWaalsContact C-N 3.29Å
219I92.5Very high91.9Very high65 Ų6571.8 Ų71.833%0.33340%0.399SS..  trans-102.9129.8179.2-53.3175.2000107.9W42 W214 L217 Y221W42-I219 HydrophobicContact CE3-CD1 4.27Å; W42-I219 HydrophobicContact CZ3-CD1 3.87Å; W214-I219 CarbonylContact C-O 3.53Å; W214-I219 HydrophobicContact CE3-CB 3.98Å; W214-I219 HydrophobicContact CE3-CG2 3.55Å; W214-I219 HydrophobicContact CZ3-CG2 3.72Å; W214-I219 PolarHBondContact O-N 3.13Å; L217-I219 VanDerWaalsContact C-N 3.28Å; L217-I219 HydrophobicContact CB-CD1 3.86Å; L217-I219 HydrophobicContact CB-CG1 3.89Å; L217-I219 HydrophobicContact CD1-CD1 4.2Å; L217-I219 PolarHBondContact O-N 3.28Å; I219-Y221 PolarHBondContact O-N 2.99Å
220A92.7Very high92.5Very high84 Ų8471.5 Ų71.569%0.69440%0.398SS*.  trans-62.7134.1175.100000110.3
221Y93.3Very high93.1Very high11 Ų1177.2 Ų77.24%0.04343%0.427CS..  trans-95.8115.5175.7-171.5-115.2000109.2L34 Y206 V211 W214 I219 L223 E224L34-Y221 WeakPolarHBondContact O-CE2 3.45Å; Y206-Y221 VanDerWaalsContact CE2-OH 3.3Å; Y206-Y221 WeakPolarHBondContact CE2-OH 3.47Å; Y206-Y221 WeakPolarHBondContact OH-CE1 3.29Å; Y206-Y221 PolarHBondContact OH-OH 2.76Å; V211-Y221 HydrophobicContact CG1-CD1 4Å; V211-Y221 HydrophobicContact CG1-CE1 4.42Å; V211-Y221 HydrophobicContact CG1-CG 4.34Å; V211-Y221 HydrophobicContact CG2-CD1 3.84Å; V211-Y221 HydrophobicContact CG2-CE1 3.42Å; V211-Y221 VanDerWaalsContact CG2-CE1 3.42Å; V211-Y221 HydrophobicContact CG2-CE2 4.24Å; V211-Y221 HydrophobicContact CG2-CG 4.41Å; W214-Y221 HydrophobicContact CB-CD2 4.36Å; W214-Y221 AromaticContact CD1-CD2 3.71Å; W214-Y221 AromaticContact CD1-CE2 3.99Å; W214-Y221 AromaticContact CD2-CD2 3.54Å; W214-Y221 HydrophobicContact CD2-CD2 3.54Å; W214-Y221 HydrophobicContact CD2-CE2 4.23Å; W214-Y221 AromaticContact CE2-CD2 3.58Å; W214-Y221 AromaticContact CE2-CE2 3.78Å; W214-Y221 HydrophobicContact CE3-CD2 4.05Å; W214-Y221 AromaticContact CG-CD2 3.65Å; W214-Y221 HydrophobicContact CG-CD2 3.65Å; W214-Y221 HydrophobicContact CG-CE2 4.36Å; W214-Y221 HydrophobicContact CG-CG 4.37Å; W214-Y221 HydrophobicContact CZ2-CD2 4.12Å; W214-Y221 HydrophobicContact CZ2-CE2 4.15Å; W214-Y221 AromaticContact NE1-CD2 3.7Å; W214-Y221 AromaticContact NE1-CE2 3.66Å; I219-Y221 PolarHBondContact O-N 2.99Å; Y221-L223 VanDerWaalsContact C-N 3.28Å; Y221-L223 HydrophobicContact CD1-CB 4.35Å; Y221-L223 HydrophobicContact CE1-CB 3.68Å; Y221-L223 PolarHBondContact O-N 3.41Å; Y221-E224 HydrophobicContact CD1-CG 3.95Å; Y221-E224 WeakPolarHBondContact O-CG 3.3Å
222E92.8Very high93.4Very high132 Ų13281.2 Ų81.262%0.61745%0.445SS*.THydrogen-bonded Turntrans-79.2-10.4-171.5-66.4-177.8-131.400113.9L34L34-E222 HydrophobicContact CD2-CB 4.33Å; L34-E222 HydrophobicContact CD2-CG 4.34Å; L34-E222 WeakPolarHBondContact CD2-OE1 3.31Å
223L93.7Very high93.7Very high0 Ų077.4 Ų77.40%043%0.434CS..THydrogen-bonded Turntrans-107.425.6-175.1-51.3179.8000112.8L34 V175 Y178 Y206 Y221 D225 V226L34-L223 HydrophobicContact CB-CD1 3.98Å; L34-L223 HydrophobicContact CB-CD2 4.21Å; L34-L223 HydrophobicContact CB-CG 4.04Å; L34-L223 HydrophobicContact CD1-CD2 4.44Å; V175-L223 HydrophobicContact CG1-CD1 4.12Å; Y178-L223 HydrophobicContact CD1-CD2 4.5Å; Y178-L223 HydrophobicContact CD2-CD2 4.05Å; Y178-L223 HydrophobicContact CE1-CD2 3.91Å; Y178-L223 HydrophobicContact CE2-CD2 3.43Å; Y178-L223 VanDerWaalsContact CE2-CD2 3.43Å; Y178-L223 WeakPolarHBondContact OH-CD2 3.41Å; Y206-L223 HydrophobicContact CE2-CD1 3.93Å; Y206-L223 PolarHBondContact OH-O 2.7Å; Y221-L223 VanDerWaalsContact C-N 3.28Å; Y221-L223 HydrophobicContact CD1-CB 4.35Å; Y221-L223 HydrophobicContact CE1-CB 3.68Å; Y221-L223 PolarHBondContact O-N 3.41Å; L223-D225 VanDerWaalsContact C-N 3.26Å; L223-D225 PolarHBondContact O-N 3.38Å; L223-V226 HydrophobicContact CB-CB 4.17Å; L223-V226 HydrophobicContact CB-CG2 3.98Å; L223-V226 HydrophobicContact CD2-CG2 4.04Å; L223-V226 PolarHBondContact O-N 3.26Å; L223-V226 VanDerWaalsContact O-N 3.14Å
224E89.8Confident93.9Very high114 Ų11476.5 Ų76.553%0.53343%0.431SS..THydrogen-bonded Turntrans-57.4-35.9-176.6-77.9-179.7179.200113.6Q208 Y221Q208-E224 PolarHBondContact NE2-O 3.11Å; Y221-E224 HydrophobicContact CD1-CG 3.95Å; Y221-E224 WeakPolarHBondContact O-CG 3.3Å
225D91.8Very high94.1Very high161 Ų16179.3 Ų79.386%0.86144%0.444SS*.THydrogen-bonded Turntrans-95.56-178.7-60.4-47.3000113.5L223L223-D225 VanDerWaalsContact C-N 3.26Å; L223-D225 PolarHBondContact O-N 3.38Å
226V94.3Very high94.4Very high18 Ų1873.1 Ų73.111%0.10942%0.42CS..PPolyproline II helixtrans-88.3122.6178.6-177.70000109V175 P176 Y178 Y206 Q208 L223V175-V226 HydrophobicContact CG1-CG1 4.2Å; P176-V226 HydrophobicContact CB-CG1 4.26Å; P176-V226 HydrophobicContact CG-CG1 4.49Å; Y178-V226 HydrophobicContact CE2-CG2 3.92Å; Y206-V226 HydrophobicContact CD1-CG1 3.92Å; Y206-V226 HydrophobicContact CE1-CB 4.07Å; Y206-V226 HydrophobicContact CE1-CG1 3.87Å; Y206-V226 WeakPolarHBondContact CE1-O 3.29Å; Q208-V226 PolarHBondContact NE2-O 2.85Å; Q208-V226 VanDerWaalsContact NE2-O 3.13Å; L223-V226 HydrophobicContact CB-CB 4.17Å; L223-V226 HydrophobicContact CB-CG2 3.98Å; L223-V226 HydrophobicContact CD2-CG2 4.04Å; L223-V226 PolarHBondContact O-N 3.26Å; L223-V226 VanDerWaalsContact O-N 3.14Å
227E93.7Very high94.7Very high144 Ų14467.5 Ų67.567%0.67339%0.385SS*.PPolyproline II helixtrans-86.6155.7173.2-69-63.5157.400111.1P176P176-E227 WeakPolarHBondContact CG-O 3.38Å
228A95.1Very high95Very high48 Ų4864.3 Ų64.340%0.39737%0.368SS..PPolyproline II helixtrans-64141.6172.700000110.5Y206Y206-A228 WeakPolarHBondContact O-CA 3.08Å; Y206-A228 WeakPolarHBondContact O-CB 3.13Å
229P95.8Very high95.2Very high17 Ų1766 Ų6611%0.1135%0.352CS..PPolyproline II helixtrans-65.8141.4172.528.1-31.5000109.8L174 P176 P205 A233 V234L174-P229 HydrophobicContact CD2-CB 4.06Å; L174-P229 HydrophobicContact CD2-CG 4.04Å; L174-P229 HydrophobicContact CG-CG 4.35Å; P176-P229 HydrophobicContact CG-CB 3.96Å; P176-P229 HydrophobicContact CG-CG 4.3Å; P205-P229 HydrophobicContact CB-CG 3.98Å; P229-A233 HydrophobicContact CB-CB 4.07Å; P229-V234 HydrophobicContact CB-CG2 4.29Å; P229-V234 HydrophobicContact CG-CG2 4.16Å
230D95.7Very high95.4Very high105 Ų10567.1 Ų67.156%0.56135%0.353SS*.PPolyproline II helixtrans-75.3168.717467.828.1000112.3E232 A233 V234D230-E232 PolarHBondContact O-N 3.25Å; D230-E232 PolarHBondContact OD1-N 3Å; D230-E232 VanDerWaalsContact OD1-N 3.15Å; D230-A233 PolarHBondContact O-N 3.27Å; D230-A233 WeakPolarHBondContact OD1-CB 3.32Å; D230-A233 PolarHBondContact OD1-N 3.46Å; D230-V234 WeakPolarHBondContact O-CG2 3.44Å; D230-V234 PolarHBondContact O-N 3.38Å
231D95.3Very high95.7Very high129 Ų12963.2 Ų63.269%0.6932%0.321SS*.Hα-helixtrans-58.5-32.2-177.7-70.7-13.6000112.8V234 K235D231-V234 PolarHBondContact O-N 3.36Å; D231-K235 VanDerWaalsContact O-CG 3.31Å; D231-K235 WeakPolarHBondContact O-CG 3.26Å; D231-K235 PolarHBondContact O-N 3.28Å
232E96.1Very high95.9Very high102 Ų10267 Ų6748%0.47734%0.342SS..Hα-helixtrans-75.5-37.1179.9-72.8-55.3127.700112D230 V234 K235 A236D230-E232 PolarHBondContact O-N 3.25Å; D230-E232 PolarHBondContact OD1-N 3Å; D230-E232 VanDerWaalsContact OD1-N 3.15Å; E232-V234 VanDerWaalsContact C-N 3.35Å; E232-K235 PolarHBondContact O-N 2.93Å; E232-K235 IonicContact OE1-NZ 2.89Å; E232-K235 PolarHBondContact OE1-NZ 3.25Å; E232-A236 VanDerWaalsContact O-CB 3.27Å; E232-A236 WeakPolarHBondContact O-CB 3.17Å; E232-A236 PolarHBondContact O-N 3.11Å
233A97Very high96.2Very high42 Ų4261.9 Ų61.935%0.34732%0.317SS..Hα-helixtrans-62.2-42.6170.400000111.1P229 D230 A236 A237P229-A233 HydrophobicContact CB-CB 4.07Å; D230-A233 PolarHBondContact O-N 3.27Å; D230-A233 WeakPolarHBondContact OD1-CB 3.32Å; D230-A233 PolarHBondContact OD1-N 3.46Å; A233-A236 PolarHBondContact O-N 3.12Å; A233-A237 WeakPolarHBondContact O-CB 3.49Å; A233-A237 PolarHBondContact O-N 2.99Å
234V97.9Very high96.3Very high14 Ų1469 Ų699%0.08535%0.348CS..Hα-helixtrans-63.2-47.8176.1175.60000111.2L174 I203 P205 P229 D230 D231 E232 A236 A237 Y238L174-V234 HydrophobicContact CD2-CG2 4.09Å; I203-V234 HydrophobicContact CG2-CG1 4.28Å; P205-V234 HydrophobicContact CB-CG2 4.24Å; P205-V234 HydrophobicContact CG-CG2 3.8Å; P229-V234 HydrophobicContact CB-CG2 4.29Å; P229-V234 HydrophobicContact CG-CG2 4.16Å; D230-V234 WeakPolarHBondContact O-CG2 3.44Å; D230-V234 PolarHBondContact O-N 3.38Å; D231-V234 PolarHBondContact O-N 3.36Å; E232-V234 VanDerWaalsContact C-N 3.35Å; V234-A236 VanDerWaalsContact C-N 3.32Å; V234-A236 PolarHBondContact O-N 2.87Å; V234-A237 WeakPolarHBondContact O-CB 3.17Å; V234-A237 PolarHBondContact O-N 2.96Å; V234-Y238 HydrophobicContact CG1-CD2 3.99Å; V234-Y238 HydrophobicContact CG1-CE2 3.74Å; V234-Y238 VanDerWaalsContact O-CD2 3.28Å; V234-Y238 WeakPolarHBondContact O-CD2 3.4Å; V234-Y238 PolarHBondContact O-N 2.65Å
235K97.8Very high96.5Very high68 Ų6865.3 Ų65.330%0.29634%0.341SS..Hα-helixtrans-61.5-39.8175-72.5174.7-166.2163.90112.2D231 E232 A237 Y238 R239 L251D231-K235 VanDerWaalsContact O-CG 3.31Å; D231-K235 WeakPolarHBondContact O-CG 3.26Å; D231-K235 PolarHBondContact O-N 3.28Å; E232-K235 PolarHBondContact O-N 2.93Å; E232-K235 IonicContact OE1-NZ 2.89Å; E232-K235 PolarHBondContact OE1-NZ 3.25Å; K235-A237 VanDerWaalsContact C-N 3.32Å; K235-A237 PolarHBondContact O-N 3.35Å; K235-Y238 PolarHBondContact O-N 3.04Å; K235-R239 WeakPolarHBondContact O-CG 3.25Å; K235-R239 PolarHBondContact O-N 2.94Å; K235-L251 HydrophobicContact CB-CD2 4.46Å
236A97.9Very high96.8Very high15 Ų1564.8 Ų64.812%0.12433%0.331CS..Hα-helixtrans-61.2-42.8175.300000111.3E232 A233 V234 Y238 R239 Y240E232-A236 VanDerWaalsContact O-CB 3.27Å; E232-A236 WeakPolarHBondContact O-CB 3.17Å; E232-A236 PolarHBondContact O-N 3.11Å; A233-A236 PolarHBondContact O-N 3.12Å; V234-A236 VanDerWaalsContact C-N 3.32Å; V234-A236 PolarHBondContact O-N 2.87Å; A236-Y238 PolarHBondContact O-N 3.32Å; A236-R239 WeakPolarHBondContact O-CB 3.2Å; A236-R239 PolarHBondContact O-N 3.45Å; A236-R239 VanDerWaalsContact O-N 3.14Å; A236-Y240 HydrophobicContact CB-CE2 4.13Å; A236-Y240 VanDerWaalsContact O-CD2 3.29Å; A236-Y240 WeakPolarHBondContact O-CD2 3.23Å; A236-Y240 VanDerWaalsContact O-CG 3.24Å; A236-Y240 PolarHBondContact O-N 2.94Å
237A98.5Very high96.9Very high2 Ų266.2 Ų66.22%0.01734%0.338CS..Hα-helixtrans-61.7-44.2176.500000112.1L174 L185 I203 A233 V234 K235 R239 Y240 V241L174-A237 HydrophobicContact CD1-CB 3.84Å; L174-A237 HydrophobicContact CD2-CB 3.82Å; L185-A237 HydrophobicContact CD1-CB 3.71Å; L185-A237 HydrophobicContact CD2-CB 4.45Å; I203-A237 HydrophobicContact CD1-CB 3.53Å; A233-A237 WeakPolarHBondContact O-CB 3.49Å; A233-A237 PolarHBondContact O-N 2.99Å; V234-A237 WeakPolarHBondContact O-CB 3.17Å; V234-A237 PolarHBondContact O-N 2.96Å; K235-A237 VanDerWaalsContact C-N 3.32Å; K235-A237 PolarHBondContact O-N 3.35Å; A237-R239 VanDerWaalsContact C-N 3.32Å; A237-R239 PolarHBondContact O-N 3.43Å; A237-Y240 PolarHBondContact O-N 3.28Å; A237-Y240 VanDerWaalsContact O-N 3.17Å; A237-V241 WeakPolarHBondContact O-CG2 3.47Å; A237-V241 PolarHBondContact O-N 3.26Å
238Y98.6Very high96.9Very high8 Ų862.8 Ų62.83%0.03133%0.328CS..Hα-helixtrans-58.1-42172.1-82.2-71.2000112.5F201 I203 V234 K235 A236 Y240 V241 N242 I247 P248 V249F201-Y238 HydrophobicContact CD1-CD1 4.01Å; F201-Y238 AromaticContact CD1-CE1 3.91Å; F201-Y238 HydrophobicContact CD1-CE1 3.91Å; F201-Y238 HydrophobicContact CE1-CD1 4.05Å; F201-Y238 HydrophobicContact CE1-CE1 4.07Å; I203-Y238 HydrophobicContact CB-CD2 4.46Å; I203-Y238 HydrophobicContact CB-CE1 4.22Å; I203-Y238 HydrophobicContact CB-CE2 3.79Å; I203-Y238 HydrophobicContact CD1-CD1 3.99Å; I203-Y238 HydrophobicContact CD1-CD2 3.85Å; I203-Y238 HydrophobicContact CD1-CE1 4.18Å; I203-Y238 HydrophobicContact CD1-CE2 4.05Å; I203-Y238 HydrophobicContact CD1-CG 3.81Å; I203-Y238 HydrophobicContact CG1-CD1 4.16Å; I203-Y238 HydrophobicContact CG1-CD2 4.34Å; I203-Y238 HydrophobicContact CG1-CE1 3.85Å; I203-Y238 HydrophobicContact CG1-CE2 4.06Å; I203-Y238 HydrophobicContact CG1-CG 4.39Å; I203-Y238 PolarHBondContact N-OH 3.4Å; V234-Y238 HydrophobicContact CG1-CD2 3.99Å; V234-Y238 HydrophobicContact CG1-CE2 3.74Å; V234-Y238 VanDerWaalsContact O-CD2 3.28Å; V234-Y238 WeakPolarHBondContact O-CD2 3.4Å; V234-Y238 PolarHBondContact O-N 2.65Å; K235-Y238 PolarHBondContact O-N 3.04Å; A236-Y238 PolarHBondContact O-N 3.32Å; Y238-Y240 VanDerWaalsContact C-N 3.34Å; Y238-Y240 PolarHBondContact O-N 2.91Å; Y238-V241 PolarHBondContact O-N 3.13Å; Y238-N242 PolarHBondContact O-N 2.82Å; Y238-I247 HydrophobicContact CD1-CB 4.09Å; Y238-I247 HydrophobicContact CD1-CD1 4.35Å; Y238-I247 HydrophobicContact CD1-CG2 3.97Å; Y238-I247 HydrophobicContact CE1-CB 4Å; Y238-I247 HydrophobicContact CE1-CG2 4.07Å; Y238-P248 WeakPolarHBondContact OH-CD 3.32Å; Y238-P248 WeakPolarHBondContact OH-CG 3.38Å; Y238-V249 HydrophobicContact CD1-CG2 4.15Å; Y238-V249 HydrophobicContact CD2-CB 4.42Å; Y238-V249 HydrophobicContact CD2-CG1 4.17Å; Y238-V249 HydrophobicContact CD2-CG2 3.38Å; Y238-V249 HydrophobicContact CE1-CG2 4.36Å; Y238-V249 HydrophobicContact CE2-CB 4.32Å; Y238-V249 HydrophobicContact CE2-CG1 3.66Å; Y238-V249 HydrophobicContact CE2-CG2 3.62Å; Y238-V249 HydrophobicContact CG-CG2 3.67Å
239R98.2Very high96.7Very high107 Ų10762.7 Ų62.740%0.40432%0.323SS..Hα-helixtrans-62.9-38.1175.8-72.2-175.2-67.7-102.11.1112.5K235 A236 A237 N242 L251K235-R239 WeakPolarHBondContact O-CG 3.25Å; K235-R239 PolarHBondContact O-N 2.94Å; A236-R239 WeakPolarHBondContact O-CB 3.2Å; A236-R239 PolarHBondContact O-N 3.45Å; A236-R239 VanDerWaalsContact O-N 3.14Å; A237-R239 VanDerWaalsContact C-N 3.32Å; A237-R239 PolarHBondContact O-N 3.43Å; R239-N242 PolarHBondContact O-N 3.46Å; R239-L251 HydrophobicContact CG-CD1 4.17Å; R239-L251 HydrophobicContact CG-CD2 4.26Å
240Y98.4Very high96.2Very high89 Ų8970.8 Ų70.835%0.34936%0.359SS..Hα-helixtrans-70.5-43177.9-60.1-31.2000112.4K182 L185 A236 A237 Y238 N242K182-Y240 HydrophobicContact CB-CD2 4.16Å; K182-Y240 HydrophobicContact CB-CE2 4.12Å; K182-Y240 HydrophobicContact CD-CD1 4.4Å; K182-Y240 HydrophobicContact CD-CE1 4.05Å; K182-Y240 HydrophobicContact CD-CE2 4.48Å; K182-Y240 HydrophobicContact CG-CD1 4Å; K182-Y240 HydrophobicContact CG-CD2 3.94Å; K182-Y240 HydrophobicContact CG-CE1 4.06Å; K182-Y240 HydrophobicContact CG-CE2 4Å; K182-Y240 HydrophobicContact CG-CG 3.94Å; L185-Y240 HydrophobicContact CD1-CD2 4Å; A236-Y240 HydrophobicContact CB-CE2 4.13Å; A236-Y240 VanDerWaalsContact O-CD2 3.29Å; A236-Y240 WeakPolarHBondContact O-CD2 3.23Å; A236-Y240 VanDerWaalsContact O-CG 3.24Å; A236-Y240 PolarHBondContact O-N 2.94Å; A237-Y240 PolarHBondContact O-N 3.28Å; A237-Y240 VanDerWaalsContact O-N 3.17Å; Y238-Y240 VanDerWaalsContact C-N 3.34Å; Y238-Y240 PolarHBondContact O-N 2.91Å; Y240-N242 VanDerWaalsContact C-N 3.26Å; Y240-N242 PolarHBondContact O-N 3.27Å
241V98.5Very high95.8Very high2 Ų271.7 Ų71.71%0.01236%0.363CS..Hα-helixtrans-62.6-36.6174.7176.80000110.8L185 L188 G189 I192 F201 A237 Y238 F243L185-V241 HydrophobicContact CB-CG2 4.06Å; L185-V241 HydrophobicContact CD2-CG2 3.85Å; L185-V241 WeakPolarHBondContact O-CA 3.48Å; L188-V241 HydrophobicContact CD2-CG2 4.25Å; G189-V241 WeakPolarHBondContact CA-O 3.33Å; I192-V241 HydrophobicContact CD1-CG1 3.56Å; I192-V241 HydrophobicContact CG1-CG1 4.47Å; F201-V241 HydrophobicContact CD1-CG1 3.93Å; F201-V241 HydrophobicContact CE1-CB 3.92Å; F201-V241 HydrophobicContact CE1-CG1 3.59Å; F201-V241 HydrophobicContact CE1-CG2 3.85Å; F201-V241 HydrophobicContact CE2-CG1 4.43Å; F201-V241 HydrophobicContact CG-CG1 4.49Å; F201-V241 HydrophobicContact CZ-CB 4.33Å; F201-V241 HydrophobicContact CZ-CG1 3.87Å; F201-V241 HydrophobicContact CZ-CG2 3.87Å; A237-V241 WeakPolarHBondContact O-CG2 3.47Å; A237-V241 PolarHBondContact O-N 3.26Å; Y238-V241 PolarHBondContact O-N 3.13Å; V241-F243 HydrophobicContact CG1-CB 4.26Å; V241-F243 PolarHBondContact O-N 2.8Å; V241-F243 VanDerWaalsContact O-N 3.08Å
242N97.9Very high95.8Very high90 Ų9068.8 Ų68.848%0.48135%0.346SS..  trans51.539.9172.8-167.918.1000112.8N193 Y238 R239 Y240 K244N193-N242 PolarHBondContact ND2-O 3.46Å; Y238-N242 PolarHBondContact O-N 2.82Å; R239-N242 PolarHBondContact O-N 3.46Å; Y240-N242 VanDerWaalsContact C-N 3.26Å; Y240-N242 PolarHBondContact O-N 3.27Å; N242-K244 PolarHBondContact ND2-NZ 3.47Å; N242-K244 VanDerWaalsContact ND2-NZ 3.16Å; N242-K244 PolarHBondContact OD1-NZ 3Å
243F98.1Very high95.8Very high25 Ų2567.1 Ų67.111%0.1134%0.34CS..  trans-62135.9177.7-176.5-126.3000110.2I192 N193 V198 F201 V241 I247I192-F243 HydrophobicContact CD1-CB 3.97Å; I192-F243 HydrophobicContact CD1-CD2 3.6Å; I192-F243 HydrophobicContact CD1-CE2 4.35Å; I192-F243 HydrophobicContact CD1-CG 3.9Å; I192-F243 HydrophobicContact CG1-CD2 3.75Å; I192-F243 HydrophobicContact CG1-CE2 4.32Å; N193-F243 VanDerWaalsContact OD1-CD2 3.29Å; N193-F243 WeakPolarHBondContact OD1-CD2 3.23Å; V198-F243 HydrophobicContact CB-CE2 4.2Å; V198-F243 HydrophobicContact CB-CZ 3.94Å; V198-F243 HydrophobicContact CG1-CE1 4.2Å; V198-F243 HydrophobicContact CG1-CE2 3.94Å; V198-F243 HydrophobicContact CG1-CZ 3.49Å; V198-F243 VanDerWaalsContact CG1-CZ 3.49Å; F201-F243 HydrophobicContact CB-CB 4.16Å; F201-F243 HydrophobicContact CB-CD1 3.43Å; F201-F243 VanDerWaalsContact CB-CD1 3.43Å; F201-F243 HydrophobicContact CB-CE1 3.93Å; F201-F243 HydrophobicContact CB-CG 3.82Å; F201-F243 HydrophobicContact CD1-CB 4.42Å; V241-F243 HydrophobicContact CG1-CB 4.26Å; V241-F243 PolarHBondContact O-N 2.8Å; V241-F243 VanDerWaalsContact O-N 3.08Å; F243-I247 HydrophobicContact CB-CG2 4.4Å; F243-I247 HydrophobicContact CD1-CG2 4.13Å
244K95.7Very high95.7Very high148 Ų14868.4 Ų68.464%0.64334%0.339SS*.SBendtrans-86.2-12.5-176.9-57-51176.6-169.10114.2N193 N242N193-K244 WeakPolarHBondContact OD1-CG 3.35Å; N193-K244 PolarHBondContact OD1-N 3.47Å; N242-K244 PolarHBondContact ND2-NZ 3.47Å; N242-K244 VanDerWaalsContact ND2-NZ 3.16Å; N242-K244 PolarHBondContact OD1-NZ 3Å
245G94.6Very high95.6Very high38 Ų3871.6 Ų71.639%0.39235%0.354SS..SBendtrans-91.1-154.2177.200000113.3
246K96.9Very high95.4Very high150 Ų15071.9 Ų71.965%0.65236%0.358SS*.BIsolated β-bridgetrans-76.4137.7-176.8-60.5175.4-178.31710111.4E199 K200 F201E199-K246 WeakPolarHBondContact O-CB 3.18Å; K200-K246 VanDerWaalsContact CA-O 3.31Å; K200-K246 WeakPolarHBondContact CA-O 3.47Å; K200-K246 HydrophobicContact CB-CB 4.5Å; K200-K246 HydrophobicContact CG-CB 4.29Å; F201-K246 PolarHBondContact N-O 2.78Å
247I97.2Very high95.3Very high48 Ų4875.7 Ų75.725%0.24637%0.373CS..  trans-129.9153.7169.558.6174.5000108.9F201 Y238 F243 V249 L251F201-I247 HydrophobicContact CB-CG2 4.37Å; F201-I247 HydrophobicContact CD1-CG2 4.39Å; Y238-I247 HydrophobicContact CD1-CB 4.09Å; Y238-I247 HydrophobicContact CD1-CD1 4.35Å; Y238-I247 HydrophobicContact CD1-CG2 3.97Å; Y238-I247 HydrophobicContact CE1-CB 4Å; Y238-I247 HydrophobicContact CE1-CG2 4.07Å; F243-I247 HydrophobicContact CB-CG2 4.4Å; F243-I247 HydrophobicContact CD1-CG2 4.13Å; I247-V249 VanDerWaalsContact C-N 3.29Å; I247-V249 HydrophobicContact CD1-CG2 4.04Å; I247-V249 HydrophobicContact CG1-CG2 4.49Å; I247-V249 PolarHBondContact O-N 2.84Å; I247-L251 HydrophobicContact CD1-CD1 3.5Å; I247-L251 VanDerWaalsContact CD1-CD1 3.5Å; I247-L251 HydrophobicContact CD1-CD2 4.43Å; I247-L251 HydrophobicContact CD1-CG 3.71Å
248P93.1Very high95.1Very high71 Ų7180.9 Ų80.946%0.46140%0.399SS..SBendtrans-86.16.6-175.335.3-37.2000114.1F201 E202 Y238F201-P248 WeakPolarHBondContact O-CD 3.23Å; E202-P248 HydrophobicContact CG-CG 4.42Å; Y238-P248 WeakPolarHBondContact OH-CD 3.32Å; Y238-P248 WeakPolarHBondContact OH-CG 3.38Å
249V90.6Very high94.8Very high47 Ų4786.5 Ų86.529%0.28543%0.427SS..SBendtrans-122.8148.1-177.4-60.50000111.3Y238 I247 L251Y238-V249 HydrophobicContact CD1-CG2 4.15Å; Y238-V249 HydrophobicContact CD2-CB 4.42Å; Y238-V249 HydrophobicContact CD2-CG1 4.17Å; Y238-V249 HydrophobicContact CD2-CG2 3.38Å; Y238-V249 HydrophobicContact CE1-CG2 4.36Å; Y238-V249 HydrophobicContact CE2-CB 4.32Å; Y238-V249 HydrophobicContact CE2-CG1 3.66Å; Y238-V249 HydrophobicContact CE2-CG2 3.62Å; Y238-V249 HydrophobicContact CG-CG2 3.67Å; I247-V249 VanDerWaalsContact C-N 3.29Å; I247-V249 HydrophobicContact CD1-CG2 4.04Å; I247-V249 HydrophobicContact CG1-CG2 4.49Å; I247-V249 PolarHBondContact O-N 2.84Å; V249-L251 HydrophobicContact CG2-CD2 3.65Å; V249-L251 HydrophobicContact CG2-CG 4.23Å
250E86.3Confident94.5Very high187 Ų18784.8 Ų84.887%0.87443%0.429SS*.  trans-85125.1166.2-63.6-178.5175.900108.6
251L86.6Confident94.1Very high123 Ų12384.5 Ų84.564%0.64444%0.436SS*.  trans-98.70-175.5-66.1-176.3000113.8K235 R239 I247 V249K235-L251 HydrophobicContact CB-CD2 4.46Å; R239-L251 HydrophobicContact CG-CD1 4.17Å; R239-L251 HydrophobicContact CG-CD2 4.26Å; I247-L251 HydrophobicContact CD1-CD1 3.5Å; I247-L251 VanDerWaalsContact CD1-CD1 3.5Å; I247-L251 HydrophobicContact CD1-CD2 4.43Å; I247-L251 HydrophobicContact CD1-CG 3.71Å; V249-L251 HydrophobicContact CG2-CD2 3.65Å; V249-L251 HydrophobicContact CG2-CG 4.23Å

Retrieved 251 of 251 residues in 236.4 ms (Link to these results)

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