A0A087YBV2_POEFO Loading...

Tyrosine-protein kinase

AlphaFold DB , UniProt , Accession A0A087YBV2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 621 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
1M48.6Very low77.5Confident67 Ų6732.5 Ų32.533%0.3318%0.182SC..  0125.50-72.7162.5-91.800108.7E121 I144M1-E121 WeakPolarHBondContact CE-OE1 3.29Å; M1-E121 PolarHBondContact N-OE2 2.66Å; M1-E121 VanDerWaalsContact N-OE2 3.11Å; M1-I144 HydrophobicContact CE-CG1 4.45Å; M1-I144 HydrophobicContact SD-CD1 4.22Å; M1-I144 HydrophobicContact SD-CG1 3.43Å; M1-I144 WeakPolarHBondContact SD-CG1 3.5Å
2S48.9Very low79Confident36 Ų3629.9 Ų29.925%0.25217%0.168SC..  trans-98.5114.1-179.8-170.60000110.9D4S2-D4 WeakPolarHBondContact OG-CB 3.31Å; S2-D4 PolarHBondContact OG-N 3.44Å
3V63.6Low80.1Confident5 Ų528.1 Ų28.13%0.0316%0.157CC..  trans-90.310.9172.6-158.20000110.4A147 P148 E151 Y602V3-A147 HydrophobicContact CG1-CB 4.48Å; V3-A147 HydrophobicContact CG2-CB 3.94Å; V3-P148 HydrophobicContact CG1-CG 4.3Å; V3-E151 WeakPolarHBondContact CB-OE1 3.44Å; V3-E151 WeakPolarHBondContact CG1-OE1 3.45Å; V3-E151 WeakPolarHBondContact CG2-OE1 3.49Å; V3-Y602 HydrophobicContact CB-CD2 4.01Å; V3-Y602 HydrophobicContact CB-CE2 4.32Å; V3-Y602 HydrophobicContact CG1-CD1 4.38Å; V3-Y602 HydrophobicContact CG1-CD2 3.74Å; V3-Y602 HydrophobicContact CG1-CE2 4.22Å; V3-Y602 HydrophobicContact CG1-CG 3.79Å; V3-Y602 HydrophobicContact CG2-CD2 4Å; V3-Y602 HydrophobicContact CG2-CE2 3.78Å
4D78.3Confident81Confident3 Ų326.1 Ų26.12%0.01615%0.146CC..  trans-66.6124.7-175.2-167-53.8000110.4S2 A6 V7 Y47S2-D4 WeakPolarHBondContact OG-CB 3.31Å; S2-D4 PolarHBondContact OG-N 3.44Å; D4-A6 PolarHBondContact O-N 3.13Å; D4-A6 VanDerWaalsContact OD1-CB 3.31Å; D4-A6 WeakPolarHBondContact OD1-CB 3.46Å; D4-A6 PolarHBondContact OD1-N 3.21Å; D4-V7 VanDerWaalsContact O-CB 3.24Å; D4-V7 WeakPolarHBondContact O-CB 3.42Å; D4-V7 VanDerWaalsContact O-CG1 3.24Å; D4-V7 WeakPolarHBondContact O-CG1 3.4Å; D4-V7 PolarHBondContact O-N 3.23Å; D4-Y47 WeakPolarHBondContact OD1-CE1 3.48Å; D4-Y47 PolarHBondContact OD1-OH 2.88Å
5P81.1Confident81.6Confident25 Ų2525.1 Ų25.116%0.16214%0.142CC..THydrogen-bonded Turntrans-64.6-13-177.724.2-32.4000113.4Y47 Y70 P81P5-Y47 VanDerWaalsContact CD-OH 3.28Å; P5-Y47 WeakPolarHBondContact CD-OH 3.43Å; P5-Y47 VanDerWaalsContact CG-OH 3.27Å; P5-Y47 WeakPolarHBondContact CG-OH 3.33Å; P5-Y70 WeakPolarHBondContact CG-OH 3.38Å; P5-P81 HydrophobicContact CB-CG 4.37Å; P5-P81 HydrophobicContact CG-CG 4.36Å
6A87.4Confident82.2Confident0 Ų024.1 Ų24.10%014%0.136CC..THydrogen-bonded Turntrans-88.2-4.8172.800000113.7D4 E8 L9 F12 L37 Y47 P81D4-A6 PolarHBondContact O-N 3.13Å; D4-A6 VanDerWaalsContact OD1-CB 3.31Å; D4-A6 WeakPolarHBondContact OD1-CB 3.46Å; D4-A6 PolarHBondContact OD1-N 3.21Å; A6-E8 PolarHBondContact O-N 3.05Å; A6-L9 HydrophobicContact CB-CD1 3.99Å; A6-L9 VanDerWaalsContact O-CB 3.29Å; A6-L9 WeakPolarHBondContact O-CB 3.43Å; A6-L9 PolarHBondContact O-N 3.32Å; A6-F12 HydrophobicContact CB-CB 4.13Å; A6-F12 HydrophobicContact CB-CD1 3.83Å; A6-F12 HydrophobicContact CB-CD2 3.7Å; A6-F12 HydrophobicContact CB-CE1 4.05Å; A6-F12 HydrophobicContact CB-CE2 3.94Å; A6-F12 HydrophobicContact CB-CG 3.61Å; A6-F12 HydrophobicContact CB-CZ 4.09Å; A6-F12 VanDerWaalsContact O-CB 3.24Å; A6-F12 WeakPolarHBondContact O-CB 3.45Å; A6-F12 VanDerWaalsContact O-CD1 3.24Å; A6-F12 WeakPolarHBondContact O-CD1 3.33Å; A6-F12 WeakPolarHBondContact O-CG 3.4Å; A6-L37 HydrophobicContact CB-CD2 3.89Å; A6-Y47 HydrophobicContact CB-CD1 4.41Å; A6-Y47 HydrophobicContact CB-CE1 3.65Å; A6-P81 HydrophobicContact CB-CB 4.26Å; A6-P81 HydrophobicContact CB-CG 3.83Å
7V86.1Confident82.6Confident33 Ų3325.1 Ų25.120%0.214%0.144CC..THydrogen-bonded Turntrans-60.9-31.5-171.977.20000113.2D4 L9 V111 T599D4-V7 VanDerWaalsContact O-CB 3.24Å; D4-V7 WeakPolarHBondContact O-CB 3.42Å; D4-V7 VanDerWaalsContact O-CG1 3.24Å; D4-V7 WeakPolarHBondContact O-CG1 3.4Å; D4-V7 PolarHBondContact O-N 3.23Å; V7-L9 VanDerWaalsContact C-N 3.3Å; V7-V111 HydrophobicContact CG2-CG2 4.22Å; V7-T599 HydrophobicContact CG1-CG2 3.86Å
8E82.9Confident83Confident66 Ų6631.6 Ų31.631%0.30817%0.166SC..THydrogen-bonded Turntrans-76-17177.1-68-169.2140.800113.1A6 P10 T599 Y600 S603A6-E8 PolarHBondContact O-N 3.05Å; E8-P10 WeakPolarHBondContact O-CD 3.42Å; E8-T599 HydrophobicContact CG-CG2 3.44Å; E8-T599 VanDerWaalsContact CG-CG2 3.44Å; E8-Y600 WeakPolarHBondContact OE1-CA 3.47Å; E8-Y600 PolarHBondContact OE1-N 3.48Å; E8-S603 VanDerWaalsContact OE2-CB 3.25Å; E8-S603 WeakPolarHBondContact OE2-CB 3.41Å; E8-S603 PolarHBondContact OE2-OG 3.23Å
9L89.6Confident83.4Confident29 Ų2934.1 Ų34.115%0.15219%0.186CC..  trans-73.5120.7-178-57.1177.3000109.2A6 V7 F11 F12 L37 P81A6-L9 HydrophobicContact CB-CD1 3.99Å; A6-L9 VanDerWaalsContact O-CB 3.29Å; A6-L9 WeakPolarHBondContact O-CB 3.43Å; A6-L9 PolarHBondContact O-N 3.32Å; V7-L9 VanDerWaalsContact C-N 3.3Å; L9-F11 HydrophobicContact CB-CD2 4.35Å; L9-F11 HydrophobicContact CB-CE1 4.32Å; L9-F11 HydrophobicContact CB-CE2 3.99Å; L9-F11 HydrophobicContact CB-CZ 3.98Å; L9-F11 HydrophobicContact CD1-CE2 3.93Å; L9-F11 HydrophobicContact CD1-CZ 4.1Å; L9-F11 HydrophobicContact CD2-CZ 3.99Å; L9-F11 HydrophobicContact CG-CE2 4.4Å; L9-F11 HydrophobicContact CG-CZ 4.25Å; L9-F11 PolarHBondContact O-N 3.46Å; L9-F12 HydrophobicContact CB-CB 3.95Å; L9-F12 WeakPolarHBondContact O-CB 3.4Å; L9-F12 PolarHBondContact O-N 2.82Å; L9-L37 HydrophobicContact CD1-CD2 3.91Å; L9-P81 HydrophobicContact CD1-CB 4.29Å; L9-P81 HydrophobicContact CD1-CG 4.4Å
10P91.7Very high83.9Confident70 Ų7034.6 Ų34.646%0.45519%0.189SC..THydrogen-bonded Turntrans-68.6-12.6-175.428.5-35.7000112.8E8 L104 R105E8-P10 WeakPolarHBondContact O-CD 3.42Å; P10-L104 HydrophobicContact CB-CD2 4.02Å; P10-L104 HydrophobicContact CG-CD2 3.91Å; P10-R105 PolarHBondContact O-N 3.48Å
11F94.4Very high84.4Confident23 Ų2332.9 Ų32.910%0.10118%0.18CC..THydrogen-bonded Turntrans-1049.9175.951.1-96.3000113.4L9 Y13 F35 L37 C85 P102L9-F11 HydrophobicContact CB-CD2 4.35Å; L9-F11 HydrophobicContact CB-CE1 4.32Å; L9-F11 HydrophobicContact CB-CE2 3.99Å; L9-F11 HydrophobicContact CB-CZ 3.98Å; L9-F11 HydrophobicContact CD1-CE2 3.93Å; L9-F11 HydrophobicContact CD1-CZ 4.1Å; L9-F11 HydrophobicContact CD2-CZ 3.99Å; L9-F11 HydrophobicContact CG-CE2 4.4Å; L9-F11 HydrophobicContact CG-CZ 4.25Å; L9-F11 PolarHBondContact O-N 3.46Å; F11-Y13 WeakPolarHBondContact O-CD2 3.47Å; F11-F35 AromaticContact CD2-CE2 3.83Å; F11-F35 HydrophobicContact CD2-CE2 3.83Å; F11-F35 AromaticContact CE2-CE2 3.85Å; F11-F35 HydrophobicContact CE2-CE2 3.85Å; F11-F35 HydrophobicContact CG-CE2 4.3Å; F11-F35 HydrophobicContact CZ-CE2 4.34Å; F11-L37 HydrophobicContact CD2-CB 4.16Å; F11-L37 HydrophobicContact CE2-CB 4.45Å; F11-L37 PolarHBondContact O-N 3.06Å; F11-C85 HydrophobicContact CE2-CB 4.37Å; F11-C85 HydrophobicContact CZ-CB 4.37Å; F11-P102 HydrophobicContact CB-CB 3.82Å; F11-P102 HydrophobicContact CD1-CB 3.52Å; F11-P102 HydrophobicContact CD1-CG 4.38Å; F11-P102 HydrophobicContact CE1-CB 4.32Å; F11-P102 HydrophobicContact CG-CB 3.82Å
12F95.3Very high86.6Confident2 Ų231.3 Ų31.31%0.00917%0.171CC..BIsolated β-bridgetrans-93.1125173.2173.5-115.5000111.3A6 L9 L37 Y47 R105 V111A6-F12 HydrophobicContact CB-CB 4.13Å; A6-F12 HydrophobicContact CB-CD1 3.83Å; A6-F12 HydrophobicContact CB-CD2 3.7Å; A6-F12 HydrophobicContact CB-CE1 4.05Å; A6-F12 HydrophobicContact CB-CE2 3.94Å; A6-F12 HydrophobicContact CB-CG 3.61Å; A6-F12 HydrophobicContact CB-CZ 4.09Å; A6-F12 VanDerWaalsContact O-CB 3.24Å; A6-F12 WeakPolarHBondContact O-CB 3.45Å; A6-F12 VanDerWaalsContact O-CD1 3.24Å; A6-F12 WeakPolarHBondContact O-CD1 3.33Å; A6-F12 WeakPolarHBondContact O-CG 3.4Å; L9-F12 HydrophobicContact CB-CB 3.95Å; L9-F12 WeakPolarHBondContact O-CB 3.4Å; L9-F12 PolarHBondContact O-N 2.82Å; F12-L37 CarbonylContact C-O 3.42Å; F12-L37 VanDerWaalsContact CA-O 3.31Å; F12-L37 WeakPolarHBondContact CA-O 3.41Å; F12-L37 HydrophobicContact CB-CB 4.47Å; F12-L37 HydrophobicContact CD2-CB 4.2Å; F12-L37 HydrophobicContact CD2-CD2 4.1Å; F12-L37 HydrophobicContact CD2-CG 4.04Å; F12-Y47 HydrophobicContact CD2-CD1 4.49Å; F12-Y47 AromaticContact CE2-CD1 3.83Å; F12-Y47 HydrophobicContact CE2-CD1 3.83Å; F12-Y47 AromaticContact CE2-CE1 3.79Å; F12-Y47 HydrophobicContact CE2-CE1 3.79Å; F12-Y47 HydrophobicContact CZ-CE1 4.1Å; F12-R105 VanDerWaalsContact O-CZ 3.26Å; F12-R105 PolarHBondContact O-NE 2.88Å; F12-R105 PolarHBondContact O-NH2 3.21Å; F12-R105 VanDerWaalsContact O-NH2 3.16Å; F12-V111 HydrophobicContact CD1-CG1 4.1Å; F12-V111 HydrophobicContact CD1-CG2 4.35Å; F12-V111 HydrophobicContact CE1-CG1 3.7Å
13Y93.6Very high88.8Confident6 Ų634.9 Ų34.92%0.02418%0.184CC..  trans-103.3-6.5-174-76.3-108.8000114.7F11 I16 H24 L36 L37 C103 L104 R105 M109 K112F11-Y13 WeakPolarHBondContact O-CD2 3.47Å; Y13-I16 HydrophobicContact CD1-CD1 4.21Å; Y13-I16 HydrophobicContact CG-CD1 3.94Å; Y13-H24 AromaticContact CD1-CD2 3.79Å; Y13-H24 AromaticContact CD1-NE2 3.86Å; Y13-H24 HydrophobicContact CE1-CB 4.27Å; Y13-H24 AromaticContact CE1-CD2 3.62Å; Y13-H24 AromaticContact CE1-CE1 3.86Å; Y13-H24 AromaticContact CE1-CG 3.65Å; Y13-H24 AromaticContact CE1-ND1 3.79Å; Y13-H24 AromaticContact CE1-NE2 3.77Å; Y13-L36 HydrophobicContact CD2-CB 4.07Å; Y13-L36 HydrophobicContact CD2-CD1 4.43Å; Y13-L36 HydrophobicContact CD2-CD2 4.24Å; Y13-L36 HydrophobicContact CE2-CB 3.91Å; Y13-L36 HydrophobicContact CE2-CD2 4.01Å; Y13-L36 HydrophobicContact CE2-CG 4.5Å; Y13-L37 PolarHBondContact N-O 3.22Å; Y13-C103 WeakPolarHBondContact CE2-O 3.41Å; Y13-C103 PolarHBondContact OH-O 3.35Å; Y13-C103 PolarHBondContact OH-SG 3.2Å; Y13-L104 PolarHBondContact OH-O 2.89Å; Y13-L104 VanDerWaalsContact OH-O 3.12Å; Y13-R105 HydrophobicContact CD1-CG 3.49Å; Y13-R105 VanDerWaalsContact CD1-CG 3.49Å; Y13-R105 HydrophobicContact CD2-CG 3.96Å; Y13-R105 HydrophobicContact CE1-CB 4.42Å; Y13-R105 HydrophobicContact CE1-CG 3.34Å; Y13-R105 HydrophobicContact CE2-CG 3.81Å; Y13-R105 HydrophobicContact CG-CG 3.8Å; Y13-R105 VanDerWaalsContact CZ-CG 3.5Å; Y13-M109 HydrophobicContact CD1-SD 4.21Å; Y13-M109 HydrophobicContact CE1-SD 4.07Å; Y13-K112 PolarHBondContact O-N 3.3Å
14G92.2Very high90.4Very high1 Ų136.3 Ų36.31%0.0119%0.19CC..BIsolated β-bridgetrans77.6-146.2-174.500000113.1I16 R38 Q39G14-I16 VanDerWaalsContact C-N 3.27Å; G14-I16 PolarHBondContact O-N 3.08Å; G14-R38 WeakPolarHBondContact O-CB 3.46Å; G14-Q39 PolarHBondContact O-N 3.08Å
15S90.4Very high91.2Very high11 Ų1136.1 Ų36.18%0.07719%0.189CC..SBendtrans-79.561.7-176.9-90.10000113.3Q39 K112 G114S15-Q39 PolarHBondContact OG-OE1 3.28Å; S15-K112 PolarHBondContact N-O 3.4Å; S15-K112 WeakPolarHBondContact O-CD 3.33Å; S15-K112 VanDerWaalsContact O-CE 3.31Å; S15-K112 WeakPolarHBondContact O-CE 3.32Å; S15-G114 VanDerWaalsContact CB-CA 3.44Å; S15-G114 VanDerWaalsContact OG-CA 3.25Å; S15-G114 WeakPolarHBondContact OG-CA 3.48Å
16I91.3Very high91.9Very high9 Ų940.6 Ų40.65%0.04621%0.206CC..  trans-91.2153.5172.962.2162.3000112.2Y13 G14 D20 A21 L36 R38 K112Y13-I16 HydrophobicContact CD1-CD1 4.21Å; Y13-I16 HydrophobicContact CG-CD1 3.94Å; G14-I16 VanDerWaalsContact C-N 3.27Å; G14-I16 PolarHBondContact O-N 3.08Å; I16-D20 HydrophobicContact CB-CB 3.98Å; I16-D20 HydrophobicContact CD1-CB 4.44Å; I16-A21 HydrophobicContact CD1-CB 3.8Å; I16-L36 HydrophobicContact CD1-CD1 4.34Å; I16-R38 HydrophobicContact CD1-CB 4.23Å; I16-R38 HydrophobicContact CG1-CB 3.66Å; I16-R38 HydrophobicContact CG1-CG 4.42Å; I16-K112 HydrophobicContact CG2-CB 4.04Å; I16-K112 HydrophobicContact CG2-CD 3.85Å
17S88.4Confident92.2Very high40 Ų4047.1 Ų47.128%0.2824%0.24SC..  trans-71.1165.7177.689.20000111.4S19 D20 A21S17-S19 VanDerWaalsContact C-N 3.27Å; S17-S19 PolarHBondContact O-N 2.94Å; S17-S19 PolarHBondContact OG-N 3.41Å; S17-D20 PolarHBondContact N-OD2 3.45Å; S17-D20 PolarHBondContact O-N 3.3Å; S17-D20 PolarHBondContact OG-N 2.91Å; S17-D20 PolarHBondContact OG-OD1 3.42Å; S17-D20 PolarHBondContact OG-OD2 2.98Å; S17-A21 PolarHBondContact O-N 3.17Å; S17-A21 VanDerWaalsContact O-N 3.13Å
18R89.4Confident92.6Very high143 Ų14347.2 Ų47.254%0.5425%0.245SC..Hα-helixtrans-58.8-42.5170.9179.2-178.5171.3169.34.4110.9A21 E22 H59R18-A21 WeakPolarHBondContact O-CB 3.04Å; R18-A21 PolarHBondContact O-N 2.9Å; R18-E22 WeakPolarHBondContact CG-OE1 3.37Å; R18-E22 IonicContact CZ-OE1 2.78Å; R18-E22 IonicContact NE-OE1 3.85Å; R18-E22 PolarHBondContact NE-OE1 3.16Å; R18-E22 IonicContact NH2-OE1 3.57Å; R18-E22 WeakPolarHBondContact O-CG 3.46Å; R18-E22 PolarHBondContact O-N 3.04Å; R18-H59 PolarHBondContact NE-CD2 3.37Å; R18-H59 VanDerWaalsContact NE-CD2 3.34Å; R18-H59 PolarHBondContact NE-NE2 2.88Å; R18-H59 VanDerWaalsContact NE-NE2 3.15Å
19S91.1Very high93.1Very high78 Ų7846.8 Ų46.855%0.54526%0.258SS..Hα-helixtrans-66.5-41.4-179.6-175.40000112.2S17 A21 E22 Q23S17-S19 VanDerWaalsContact C-N 3.27Å; S17-S19 PolarHBondContact O-N 2.94Å; S17-S19 PolarHBondContact OG-N 3.41Å; S19-A21 VanDerWaalsContact C-N 3.29Å; S19-A21 PolarHBondContact O-N 2.93Å; S19-E22 PolarHBondContact O-N 2.6Å; S19-Q23 PolarHBondContact O-N 2.99Å
20D93.4Very high93.4Very high44 Ų4446.9 Ų46.924%0.23526%0.258CS..Hα-helixtrans-59.3-44.2175.9-55.9-2.2000110I16 S17 Q23 H24 K112I16-D20 HydrophobicContact CB-CB 3.98Å; I16-D20 HydrophobicContact CD1-CB 4.44Å; S17-D20 PolarHBondContact N-OD2 3.45Å; S17-D20 PolarHBondContact O-N 3.3Å; S17-D20 PolarHBondContact OG-N 2.91Å; S17-D20 PolarHBondContact OG-OD1 3.42Å; S17-D20 PolarHBondContact OG-OD2 2.98Å; D20-Q23 WeakPolarHBondContact O-CB 3.5Å; D20-Q23 PolarHBondContact O-N 2.82Å; D20-H24 PolarHBondContact O-CD2 2.98Å; D20-H24 PolarHBondContact O-N 3.32Å; D20-K112 IonicContact OD2-NZ 3.63Å; D20-K112 PolarHBondContact OD2-NZ 3.33Å
21A93.7Very high93.6Very high0 Ų046 Ų460%025%0.253CS..Hα-helixtrans-61.9-47.6178.200000112.2I16 S17 R18 S19 Q23 H24 L25 L36I16-A21 HydrophobicContact CD1-CB 3.8Å; S17-A21 PolarHBondContact O-N 3.17Å; S17-A21 VanDerWaalsContact O-N 3.13Å; R18-A21 WeakPolarHBondContact O-CB 3.04Å; R18-A21 PolarHBondContact O-N 2.9Å; S19-A21 VanDerWaalsContact C-N 3.29Å; S19-A21 PolarHBondContact O-N 2.93Å; A21-Q23 VanDerWaalsContact C-N 3.26Å; A21-Q23 PolarHBondContact O-N 2.9Å; A21-H24 PolarHBondContact O-N 3.09Å; A21-L25 WeakPolarHBondContact O-CG 3.46Å; A21-L25 PolarHBondContact O-N 3.09Å; A21-L36 HydrophobicContact CB-CD1 3.96Å; A21-L36 HydrophobicContact CB-CD2 4.4Å
22E95.7Very high93.7Very high34 Ų3447.8 Ų47.816%0.15926%0.264CS..Hα-helixtrans-59.7-38.8175.5-67.4174.5-170.300111R18 S19 L25 K26 F57 H59R18-E22 WeakPolarHBondContact CG-OE1 3.37Å; R18-E22 IonicContact CZ-OE1 2.78Å; R18-E22 IonicContact NE-OE1 3.85Å; R18-E22 PolarHBondContact NE-OE1 3.16Å; R18-E22 IonicContact NH2-OE1 3.57Å; R18-E22 WeakPolarHBondContact O-CG 3.46Å; R18-E22 PolarHBondContact O-N 3.04Å; S19-E22 PolarHBondContact O-N 2.6Å; E22-L25 PolarHBondContact O-N 2.86Å; E22-K26 VanDerWaalsContact O-CG 3.26Å; E22-K26 WeakPolarHBondContact O-CG 3.38Å; E22-K26 PolarHBondContact O-N 3.36Å; E22-F57 HydrophobicContact CB-CD1 4.22Å; E22-F57 HydrophobicContact CB-CD2 4.13Å; E22-F57 HydrophobicContact CB-CE1 4.08Å; E22-F57 HydrophobicContact CB-CE2 4.02Å; E22-F57 HydrophobicContact CB-CG 4.25Å; E22-F57 HydrophobicContact CB-CZ 4.01Å; E22-F57 HydrophobicContact CG-CB 4.07Å; E22-F57 HydrophobicContact CG-CD1 3.94Å; E22-F57 HydrophobicContact CG-CD2 3.68Å; E22-F57 HydrophobicContact CG-CE1 4.31Å; E22-F57 HydrophobicContact CG-CE2 4.11Å; E22-F57 HydrophobicContact CG-CG 3.61Å; E22-F57 HydrophobicContact CG-CZ 4.41Å; E22-H59 IonicContact OE1-CE1 3.6Å; E22-H59 IonicContact OE1-NE2 3.53Å; E22-H59 PolarHBondContact OE1-NE2 3.2Å
23Q95.6Very high93.7Very high111 Ų11147.7 Ų47.752%0.51926%0.263SS..Hα-helixtrans-63.5-44.5175.8-175178.9-2.300112.4S19 D20 A21 L25 K26 L27S19-Q23 PolarHBondContact O-N 2.99Å; D20-Q23 WeakPolarHBondContact O-CB 3.5Å; D20-Q23 PolarHBondContact O-N 2.82Å; A21-Q23 VanDerWaalsContact C-N 3.26Å; A21-Q23 PolarHBondContact O-N 2.9Å; Q23-L25 VanDerWaalsContact C-N 3.33Å; Q23-L25 PolarHBondContact O-N 2.97Å; Q23-K26 WeakPolarHBondContact O-CB 3.27Å; Q23-K26 PolarHBondContact O-N 3.21Å; Q23-L27 HydrophobicContact CG-CD1 4.3Å; Q23-L27 WeakPolarHBondContact O-CG 3.39Å; Q23-L27 PolarHBondContact O-N 3.27Å
24H95.8Very high93.9Very high34 Ų3447.4 Ų47.416%0.15726%0.262CS..Hα-helixtrans-62-41.6175.8-71.4-59.3000112.1Y13 D20 A21 L27 A28 L36Y13-H24 AromaticContact CD1-CD2 3.79Å; Y13-H24 AromaticContact CD1-NE2 3.86Å; Y13-H24 HydrophobicContact CE1-CB 4.27Å; Y13-H24 AromaticContact CE1-CD2 3.62Å; Y13-H24 AromaticContact CE1-CE1 3.86Å; Y13-H24 AromaticContact CE1-CG 3.65Å; Y13-H24 AromaticContact CE1-ND1 3.79Å; Y13-H24 AromaticContact CE1-NE2 3.77Å; D20-H24 PolarHBondContact O-CD2 2.98Å; D20-H24 PolarHBondContact O-N 3.32Å; A21-H24 PolarHBondContact O-N 3.09Å; H24-L27 PolarHBondContact O-N 3.33Å; H24-A28 WeakPolarHBondContact O-CB 3.25Å; H24-A28 PolarHBondContact O-N 2.94Å; H24-L36 HydrophobicContact CB-CD2 3.88Å
25L96.1Very high94.2Very high0 Ų047.7 Ų47.70%026%0.263CS..Hα-helixtrans-65.1-37.7175.9-68170.7000112.1A21 E22 Q23 A28 G29 M30 L34 L36 V52 F57 C103A21-L25 WeakPolarHBondContact O-CG 3.46Å; A21-L25 PolarHBondContact O-N 3.09Å; E22-L25 PolarHBondContact O-N 2.86Å; Q23-L25 VanDerWaalsContact C-N 3.33Å; Q23-L25 PolarHBondContact O-N 2.97Å; L25-A28 PolarHBondContact O-N 2.77Å; L25-G29 PolarHBondContact O-N 2.81Å; L25-M30 PolarHBondContact O-N 2.86Å; L25-L34 HydrophobicContact CB-CD2 4.47Å; L25-L34 HydrophobicContact CD2-CD2 4.02Å; L25-L34 HydrophobicContact CD2-CG 3.81Å; L25-L34 WeakPolarHBondContact O-CD2 3.41Å; L25-L36 HydrophobicContact CD1-CD2 4.44Å; L25-L36 HydrophobicContact CD1-CG 4.43Å; L25-L36 HydrophobicContact CD2-CD2 3.98Å; L25-L36 HydrophobicContact CD2-CG 4.09Å; L25-L36 HydrophobicContact CG-CD2 3.81Å; L25-L36 HydrophobicContact CG-CG 4.19Å; L25-V52 HydrophobicContact CB-CG2 3.82Å; L25-V52 HydrophobicContact CD1-CG2 3.98Å; L25-V52 HydrophobicContact CD2-CG2 4.15Å; L25-V52 HydrophobicContact CG-CG2 4.19Å; L25-F57 HydrophobicContact CB-CD1 4.36Å; L25-F57 HydrophobicContact CB-CE1 3.87Å; L25-F57 HydrophobicContact CD1-CD1 3.99Å; L25-F57 HydrophobicContact CD1-CE1 4.34Å; L25-C103 HydrophobicContact CD2-CB 3.97Å
26K95.6Very high94.5Very high119 Ų11947.2 Ų47.252%0.51726%0.26SS..Hα-helixtrans-59.6-50.9172.4-74.5172.8-173.11780111.6E22 Q23 A28 G29 M30 F57E22-K26 VanDerWaalsContact O-CG 3.26Å; E22-K26 WeakPolarHBondContact O-CG 3.38Å; E22-K26 PolarHBondContact O-N 3.36Å; Q23-K26 WeakPolarHBondContact O-CB 3.27Å; Q23-K26 PolarHBondContact O-N 3.21Å; K26-A28 PolarHBondContact O-N 2.96Å; K26-G29 PolarHBondContact O-N 2.83Å; K26-G29 VanDerWaalsContact O-N 3.12Å; K26-M30 HydrophobicContact CB-SD 4.37Å; K26-M30 HydrophobicContact CG-CG 4.35Å; K26-M30 HydrophobicContact CG-SD 3.79Å; K26-F57 HydrophobicContact CD-CZ 4.16Å; K26-F57 HydrophobicContact CG-CE1 4.39Å; K26-F57 HydrophobicContact CG-CZ 3.69Å
27L94.7Very high94.8Very high136 Ų13646.8 Ų46.871%0.71226%0.258SS*.Hα-helixtrans-63.5-30-180-68.5171.7000112.6Q23 H24 G29Q23-L27 HydrophobicContact CG-CD1 4.3Å; Q23-L27 WeakPolarHBondContact O-CG 3.39Å; Q23-L27 PolarHBondContact O-N 3.27Å; H24-L27 PolarHBondContact O-N 3.33Å; L27-G29 VanDerWaalsContact C-N 3.28Å; L27-G29 PolarHBondContact O-N 3.15Å
28A93.8Very high95.1Very high36 Ų3645.8 Ų45.830%0.29825%0.248SC..THydrogen-bonded Turntrans-83.52.317800000114.4H24 L25 K26 L34 C103H24-A28 WeakPolarHBondContact O-CB 3.25Å; H24-A28 PolarHBondContact O-N 2.94Å; L25-A28 PolarHBondContact O-N 2.77Å; K26-A28 PolarHBondContact O-N 2.96Å; A28-L34 HydrophobicContact CB-CD1 4.24Å; A28-L34 HydrophobicContact CB-CD2 3.85Å; A28-C103 HydrophobicContact CB-CB 4.35Å; A28-C103 VanDerWaalsContact CB-SG 3.6Å
29G94.1Very high95.1Very high56 Ų5639 Ų3958%0.57722%0.222SC*.THydrogen-bonded Turntrans102.98.3164.800000116.6L25 K26 L27 S31L25-G29 PolarHBondContact O-N 2.81Å; K26-G29 PolarHBondContact O-N 2.83Å; K26-G29 VanDerWaalsContact O-N 3.12Å; L27-G29 VanDerWaalsContact C-N 3.28Å; L27-G29 PolarHBondContact O-N 3.15Å; G29-S31 PolarHBondContact O-N 2.93Å
30M94.9Very high94.9Very high31 Ų3135.9 Ų35.915%0.15320%0.2CC..  trans53.626.2170.6-63.2-66.9-70.200116.3L25 K26 V52 L55 F57L25-M30 PolarHBondContact O-N 2.86Å; K26-M30 HydrophobicContact CB-SD 4.37Å; K26-M30 HydrophobicContact CG-CG 4.35Å; K26-M30 HydrophobicContact CG-SD 3.79Å; M30-V52 HydrophobicContact CB-CG1 4.29Å; M30-V52 HydrophobicContact CE-CG1 3.82Å; M30-V52 HydrophobicContact CE-CG2 4.43Å; M30-V52 WeakPolarHBondContact O-CG1 3.42Å; M30-V52 HydrophobicContact SD-CG1 4.22Å; M30-V52 HydrophobicContact SD-CG2 4.04Å; M30-L55 HydrophobicContact CB-CD2 4.04Å; M30-L55 WeakPolarHBondContact CE-O 3.42Å; M30-F57 HydrophobicContact CE-CD1 4.28Å; M30-F57 HydrophobicContact CE-CE1 3.46Å; M30-F57 VanDerWaalsContact CE-CE1 3.46Å; M30-F57 HydrophobicContact CE-CE2 4.08Å; M30-F57 HydrophobicContact CE-CZ 3.3Å; M30-F57 HydrophobicContact SD-CD1 4.45Å; M30-F57 HydrophobicContact SD-CE1 3.33Å; M30-F57 WeakPolarHBondContact SD-CE1 3.44Å; M30-F57 HydrophobicContact SD-CZ 3.45Å; M30-F57 WeakPolarHBondContact SD-CZ 3.29Å
31S96.3Very high94.3Very high51 Ų5137.7 Ų37.736%0.35721%0.209SC..  trans-73.6145.6179.364.80000111.3G29 G33 L34G29-S31 PolarHBondContact O-N 2.93Å; S31-G33 PolarHBondContact O-N 3.05Å; S31-L34 WeakPolarHBondContact O-CB 3.31Å; S31-L34 PolarHBondContact O-N 3.35Å
32D97Very high93.6Very high61 Ų6146.3 Ų46.333%0.32624%0.242SC..THydrogen-bonded Turntrans-56.1131.1176.8-72.2-18.1000113.1L34 W53 N54D32-L34 VanDerWaalsContact C-N 3.28Å; D32-W53 HydrophobicContact CB-CE3 3.62Å; D32-W53 HydrophobicContact CB-CZ3 3.72Å; D32-W53 WeakPolarHBondContact OD1-CA 3.36Å; D32-N54 PolarHBondContact OD1-N 2.89Å
33G94.3Very high92.8Very high0 Ų044.9 Ų44.90%024%0.236CC..THydrogen-bonded Turntrans77.39.9-17500000114S31 V52 L98 K100 K101S31-G33 PolarHBondContact O-N 3.05Å; G33-V52 PolarHBondContact N-O 3.12Å; G33-L98 WeakPolarHBondContact CA-O 3.22Å; G33-K100 PolarHBondContact O-N 3.07Å; G33-K101 PolarHBondContact O-N 3.1Å; G33-K101 VanDerWaalsContact O-N 3.07Å
34L97.8Very high92Very high0 Ų040.3 Ų40.30%022%0.215CC..EExtended strand (participates in β ladder)trans-69.4130.4166-179.770.6000109.2L25 A28 S31 D32 V51 V52 K101 C103L25-L34 HydrophobicContact CB-CD2 4.47Å; L25-L34 HydrophobicContact CD2-CD2 4.02Å; L25-L34 HydrophobicContact CD2-CG 3.81Å; L25-L34 WeakPolarHBondContact O-CD2 3.41Å; A28-L34 HydrophobicContact CB-CD1 4.24Å; A28-L34 HydrophobicContact CB-CD2 3.85Å; S31-L34 WeakPolarHBondContact O-CB 3.31Å; S31-L34 PolarHBondContact O-N 3.35Å; D32-L34 VanDerWaalsContact C-N 3.28Å; L34-V51 CarbonylContact O-C 3.39Å; L34-V51 WeakPolarHBondContact O-CA 3.4Å; L34-V52 HydrophobicContact CB-CB 4.27Å; L34-V52 HydrophobicContact CB-CG2 4.32Å; L34-V52 HydrophobicContact CD2-CG2 4.33Å; L34-V52 PolarHBondContact O-N 3.03Å; L34-K101 VanDerWaalsContact CA-O 3.28Å; L34-K101 WeakPolarHBondContact CA-O 3.48Å; L34-K101 HydrophobicContact CD1-CB 4.22Å; L34-K101 HydrophobicContact CD1-CD 4.2Å; L34-K101 HydrophobicContact CD1-CG 4.12Å; L34-K101 WeakPolarHBondContact CD1-O 3.42Å; L34-C103 HydrophobicContact CD1-CB 3.92Å; L34-C103 HydrophobicContact CG-CB 4.34Å
35F98.3Very high91.2Very high8 Ų839.1 Ų39.14%0.03521%0.212CC..EExtended strand (participates in β ladder)trans-144.4158.4-175.974.9-81.4000113.9F11 L49 S50 V51 C85 L99 K101 P102 C103F11-F35 AromaticContact CD2-CE2 3.83Å; F11-F35 HydrophobicContact CD2-CE2 3.83Å; F11-F35 AromaticContact CE2-CE2 3.85Å; F11-F35 HydrophobicContact CE2-CE2 3.85Å; F11-F35 HydrophobicContact CG-CE2 4.3Å; F11-F35 HydrophobicContact CZ-CE2 4.34Å; F35-L49 HydrophobicContact CB-CD1 4.29Å; F35-L49 HydrophobicContact CD2-CD1 3.73Å; F35-L49 HydrophobicContact CG-CD1 4.38Å; F35-S50 CarbonylContact C-O 3.59Å; F35-S50 WeakPolarHBondContact CA-O 3.25Å; F35-S50 WeakPolarHBondContact CB-O 3.38Å; F35-V51 HydrophobicContact CB-CG2 4.11Å; F35-C85 HydrophobicContact CE2-CB 4.36Å; F35-L99 HydrophobicContact CB-CD2 3.81Å; F35-L99 HydrophobicContact CD1-CB 3.8Å; F35-L99 HydrophobicContact CD1-CD2 4.02Å; F35-L99 HydrophobicContact CD1-CG 4.32Å; F35-L99 HydrophobicContact CD2-CD1 4.14Å; F35-L99 HydrophobicContact CD2-CD2 4.32Å; F35-L99 HydrophobicContact CE1-CB 3.77Å; F35-L99 HydrophobicContact CE1-CD1 4.5Å; F35-L99 HydrophobicContact CE2-CD1 4.12Å; F35-L99 HydrophobicContact CG-CB 4.35Å; F35-L99 HydrophobicContact CG-CD1 4.33Å; F35-L99 HydrophobicContact CG-CD2 3.8Å; F35-L99 HydrophobicContact CG-CG 4.38Å; F35-L99 HydrophobicContact CZ-CB 4.3Å; F35-L99 HydrophobicContact CZ-CD1 4.3Å; F35-K101 VanDerWaalsContact CD1-O 3.27Å; F35-K101 WeakPolarHBondContact CD1-O 3.33Å; F35-K101 PolarHBondContact N-O 3.33Å; F35-P102 HydrophobicContact CE1-CB 3.95Å; F35-P102 HydrophobicContact CE2-CB 4.45Å; F35-P102 HydrophobicContact CZ-CB 3.82Å; F35-C103 VanDerWaalsContact O-CB 3.3Å; F35-C103 WeakPolarHBondContact O-CB 3.36Å; F35-C103 PolarHBondContact O-N 3.46Å
36L97.6Very high90.8Very high0 Ų039.1 Ų39.10%021%0.212CC..EExtended strand (participates in β ladder)trans-140.1162.9165.962.180.3000111Y13 I16 A21 H24 L25 R38 S50 C103Y13-L36 HydrophobicContact CD2-CB 4.07Å; Y13-L36 HydrophobicContact CD2-CD1 4.43Å; Y13-L36 HydrophobicContact CD2-CD2 4.24Å; Y13-L36 HydrophobicContact CE2-CB 3.91Å; Y13-L36 HydrophobicContact CE2-CD2 4.01Å; Y13-L36 HydrophobicContact CE2-CG 4.5Å; I16-L36 HydrophobicContact CD1-CD1 4.34Å; A21-L36 HydrophobicContact CB-CD1 3.96Å; A21-L36 HydrophobicContact CB-CD2 4.4Å; H24-L36 HydrophobicContact CB-CD2 3.88Å; L25-L36 HydrophobicContact CD1-CD2 4.44Å; L25-L36 HydrophobicContact CD1-CG 4.43Å; L25-L36 HydrophobicContact CD2-CD2 3.98Å; L25-L36 HydrophobicContact CD2-CG 4.09Å; L25-L36 HydrophobicContact CG-CD2 3.81Å; L25-L36 HydrophobicContact CG-CG 4.19Å; L36-R38 HydrophobicContact CD1-CB 4.42Å; L36-R38 HydrophobicContact CD1-CG 4.5Å; L36-S50 PolarHBondContact N-O 3.1Å; L36-S50 PolarHBondContact O-N 3.35Å; L36-C103 HydrophobicContact CB-CB 4.14Å
37L97.3Very high90.7Very high0 Ų033.5 Ų33.50%019%0.187CC..EExtended strand (participates in β ladder)trans-111.8138.5176-167.569.8000110.1A6 L9 F11 F12 Y13 Y47 L49 I62 P81A6-L37 HydrophobicContact CB-CD2 3.89Å; L9-L37 HydrophobicContact CD1-CD2 3.91Å; F11-L37 HydrophobicContact CD2-CB 4.16Å; F11-L37 HydrophobicContact CE2-CB 4.45Å; F11-L37 PolarHBondContact O-N 3.06Å; F12-L37 CarbonylContact C-O 3.42Å; F12-L37 VanDerWaalsContact CA-O 3.31Å; F12-L37 WeakPolarHBondContact CA-O 3.41Å; F12-L37 HydrophobicContact CB-CB 4.47Å; F12-L37 HydrophobicContact CD2-CB 4.2Å; F12-L37 HydrophobicContact CD2-CD2 4.1Å; F12-L37 HydrophobicContact CD2-CG 4.04Å; Y13-L37 PolarHBondContact N-O 3.22Å; L37-Y47 HydrophobicContact CD1-CG 4.4Å; L37-Y47 HydrophobicContact CD2-CD1 4.28Å; L37-Y47 HydrophobicContact CD2-CG 4.47Å; L37-Y47 HydrophobicContact CG-CD1 4.35Å; L37-L49 HydrophobicContact CD1-CB 4.5Å; L37-I62 HydrophobicContact CD1-CD1 3.81Å; L37-P81 HydrophobicContact CD2-CB 3.83Å
38R93.9Very high90.7Very high20 Ų2027.4 Ų27.48%0.07516%0.155CC..EExtended strand (participates in β ladder)trans-140.8160.8174.961.9-177.9175.682.4-3.6111.1G14 I16 L36 Y47 V48 S50G14-R38 WeakPolarHBondContact O-CB 3.46Å; I16-R38 HydrophobicContact CD1-CB 4.23Å; I16-R38 HydrophobicContact CG1-CB 3.66Å; I16-R38 HydrophobicContact CG1-CG 4.42Å; L36-R38 HydrophobicContact CD1-CB 4.42Å; L36-R38 HydrophobicContact CD1-CG 4.5Å; R38-Y47 CarbonylContact O-C 3.46Å; R38-Y47 VanDerWaalsContact O-CA 3.3Å; R38-Y47 WeakPolarHBondContact O-CA 3.33Å; R38-Y47 WeakPolarHBondContact O-CB 3.32Å; R38-V48 HydrophobicContact CG-CB 3.98Å; R38-V48 WeakPolarHBondContact CG-O 3.2Å; R38-V48 PolarHBondContact N-O 3.37Å; R38-V48 VanDerWaalsContact N-O 3.11Å; R38-V48 PolarHBondContact O-N 2.95Å; R38-S50 PolarHBondContact NE-OG 3.27Å
39Q91.1Very high90.8Very high1 Ų125.7 Ų25.71%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-71.3145.1177.2-161.4173.123.500110.6G14 S15G14-Q39 PolarHBondContact O-N 3.08Å; S15-Q39 PolarHBondContact OG-OE1 3.28Å
40C85.6Confident91Very high12 Ų1223 Ų238%0.08111%0.114CC..  trans-76.9126171-173.50000109.7R42 G46 V48 F116C40-R42 PolarHBondContact O-N 3.25Å; C40-G46 WeakPolarHBondContact CB-O 3.16Å; C40-G46 PolarHBondContact N-O 3.23Å; C40-V48 HydrophobicContact CB-CG2 4.13Å; C40-F116 WeakPolarHBondContact O-CE2 3.21Å
41L81.1Confident91.1Very high81 Ų8121.6 Ų21.642%0.42411%0.107SC..SBendtrans-80.4-5-179.8-55.2-179.9000113.4
42R78.2Confident91.2Very high181 Ų18119.2 Ų19.268%0.6839%0.09SC*.SBendtrans-123.60.6-175.6-64.2-168.6178.3-145.22.4114.1C40 T228 K229C40-R42 PolarHBondContact O-N 3.25Å; R42-T228 WeakPolarHBondContact O-CG2 3.32Å; R42-K229 PolarHBondContact O-N 3.12Å; R42-K229 VanDerWaalsContact O-N 3.12Å
43S78.9Confident91.2Very high5 Ų519.8 Ų19.84%0.0359%0.088CC..BIsolated β-bridgetrans-143.1116.7-178.8-174.50000109.6G45 G46S43-G45 PolarHBondContact O-N 3.49Å; S43-G46 PolarHBondContact O-N 3.48Å; S43-G46 VanDerWaalsContact O-N 3.14Å
44L80.1Confident91.2Very high14 Ų1424.8 Ų24.87%0.07312%0.115CC..THydrogen-bonded Turntrans-61.8129.3179.7-179.965.5000110.4G46 F116 M119 K229 F230 Q235L44-G46 PolarHBondContact O-N 2.91Å; L44-G46 VanDerWaalsContact O-N 3.15Å; L44-F116 HydrophobicContact CB-CD1 4.38Å; L44-F116 HydrophobicContact CB-CE1 4.43Å; L44-F116 HydrophobicContact CD1-CB 3.65Å; L44-F116 HydrophobicContact CD1-CD1 3.59Å; L44-F116 HydrophobicContact CD1-CE1 4.44Å; L44-F116 HydrophobicContact CD1-CG 3.72Å; L44-M119 HydrophobicContact CD2-CE 4.46Å; L44-K229 PolarHBondContact N-O 2.84Å; L44-F230 HydrophobicContact CB-CD1 4.2Å; L44-F230 HydrophobicContact CD2-CD1 4.16Å; L44-Q235 HydrophobicContact CD2-CB 4.14Å; L44-Q235 HydrophobicContact CD2-CG 3.92Å
45G79.8Confident91Very high9 Ų931 Ų319%0.09315%0.147CC..THydrogen-bonded Turntrans70.50.2-178.600000114.9S43 Y70S43-G45 PolarHBondContact O-N 3.49Å; G45-Y70 WeakPolarHBondContact O-CE1 3.44Å
46G86.2Confident90.9Very high0 Ų036.6 Ų36.60%017%0.173CC..  trans-84.3162.3174.700000112.9C40 S43 L44 I62C40-G46 WeakPolarHBondContact CB-O 3.16Å; C40-G46 PolarHBondContact N-O 3.23Å; S43-G46 PolarHBondContact O-N 3.48Å; S43-G46 VanDerWaalsContact O-N 3.14Å; L44-G46 PolarHBondContact O-N 2.91Å; L44-G46 VanDerWaalsContact O-N 3.15Å; G46-I62 CarbonylContact C-O 3.55Å; G46-I62 VanDerWaalsContact CA-O 3.27Å; G46-I62 WeakPolarHBondContact CA-O 3.31Å
47Y93.8Very high90.8Very high2 Ų238.5 Ų38.51%0.00818%0.182CC..EExtended strand (participates in β ladder)trans-124.5171.4177.2-56.3-81.5000111.5D4 P5 A6 F12 L37 R38 I62 Y70 P81D4-Y47 WeakPolarHBondContact OD1-CE1 3.48Å; D4-Y47 PolarHBondContact OD1-OH 2.88Å; P5-Y47 VanDerWaalsContact CD-OH 3.28Å; P5-Y47 WeakPolarHBondContact CD-OH 3.43Å; P5-Y47 VanDerWaalsContact CG-OH 3.27Å; P5-Y47 WeakPolarHBondContact CG-OH 3.33Å; A6-Y47 HydrophobicContact CB-CD1 4.41Å; A6-Y47 HydrophobicContact CB-CE1 3.65Å; F12-Y47 HydrophobicContact CD2-CD1 4.49Å; F12-Y47 AromaticContact CE2-CD1 3.83Å; F12-Y47 HydrophobicContact CE2-CD1 3.83Å; F12-Y47 AromaticContact CE2-CE1 3.79Å; F12-Y47 HydrophobicContact CE2-CE1 3.79Å; F12-Y47 HydrophobicContact CZ-CE1 4.1Å; L37-Y47 HydrophobicContact CD1-CG 4.4Å; L37-Y47 HydrophobicContact CD2-CD1 4.28Å; L37-Y47 HydrophobicContact CD2-CG 4.47Å; L37-Y47 HydrophobicContact CG-CD1 4.35Å; R38-Y47 CarbonylContact O-C 3.46Å; R38-Y47 VanDerWaalsContact O-CA 3.3Å; R38-Y47 WeakPolarHBondContact O-CA 3.33Å; R38-Y47 WeakPolarHBondContact O-CB 3.32Å; Y47-I62 HydrophobicContact CD2-CG2 4.43Å; Y47-I62 PolarHBondContact N-O 3.02Å; Y47-I62 PolarHBondContact O-N 3.15Å; Y47-Y70 HydrophobicContact CD2-CD1 4.05Å; Y47-Y70 HydrophobicContact CD2-CE1 4.08Å; Y47-Y70 AromaticContact CE2-CD1 3.88Å; Y47-Y70 HydrophobicContact CE2-CD1 3.88Å; Y47-Y70 AromaticContact CE2-CE1 3.48Å; Y47-Y70 HydrophobicContact CE2-CE1 3.48Å; Y47-Y70 VanDerWaalsContact CE2-CE1 3.48Å; Y47-P81 HydrophobicContact CD2-CB 4.19Å; Y47-P81 HydrophobicContact CE2-CB 3.96Å; Y47-P81 HydrophobicContact CE2-CG 4.02Å
48V94.9Very high90.7Very high7 Ų740.7 Ų40.74%0.04219%0.192CC..EExtended strand (participates in β ladder)trans-130.8120.8166.4-174.40000108.6R38 C40 H59 Y60R38-V48 HydrophobicContact CG-CB 3.98Å; R38-V48 WeakPolarHBondContact CG-O 3.2Å; R38-V48 PolarHBondContact N-O 3.37Å; R38-V48 VanDerWaalsContact N-O 3.11Å; R38-V48 PolarHBondContact O-N 2.95Å; C40-V48 HydrophobicContact CB-CG2 4.13Å; V48-H59 HydrophobicContact CG1-CB 3.91Å; V48-Y60 CarbonylContact C-O 3.51Å; V48-Y60 VanDerWaalsContact CA-O 3.29Å; V48-Y60 WeakPolarHBondContact CA-O 3.41Å; V48-Y60 WeakPolarHBondContact CG1-O 3.45Å
49L96.4Very high90.7Very high0 Ų041.8 Ų41.80%020%0.198CC..EExtended strand (participates in β ladder)trans-84.7117.6171.1177.264.7000108.1F35 L37 V51 H59 Y60 I62 I72 L95 L99F35-L49 HydrophobicContact CB-CD1 4.29Å; F35-L49 HydrophobicContact CD2-CD1 3.73Å; F35-L49 HydrophobicContact CG-CD1 4.38Å; L37-L49 HydrophobicContact CD1-CB 4.5Å; L49-V51 HydrophobicContact CD1-CG2 4.3Å; L49-V51 HydrophobicContact CD2-CG2 4.22Å; L49-V51 HydrophobicContact CG-CG2 3.8Å; L49-H59 WeakPolarHBondContact O-CA 3.23Å; L49-Y60 PolarHBondContact N-O 3.03Å; L49-Y60 PolarHBondContact O-N 2.94Å; L49-I62 HydrophobicContact CB-CD1 3.89Å; L49-I72 HydrophobicContact CD2-CD1 4.11Å; L49-L95 HydrophobicContact CD2-CD1 4.04Å; L49-L99 HydrophobicContact CD1-CD1 4.13Å; L49-L99 HydrophobicContact CD1-CD2 4.28Å; L49-L99 HydrophobicContact CD2-CD1 4.11Å; L49-L99 HydrophobicContact CD2-CD2 4.19Å
50S97.2Very high90.8Very high0 Ų043.7 Ų43.70%021%0.205CC..EExtended strand (participates in β ladder)trans-108.1122.3178.9-55.10000109.1F35 L36 R38 H58 H59F35-S50 CarbonylContact C-O 3.59Å; F35-S50 WeakPolarHBondContact CA-O 3.25Å; F35-S50 WeakPolarHBondContact CB-O 3.38Å; L36-S50 PolarHBondContact N-O 3.1Å; L36-S50 PolarHBondContact O-N 3.35Å; R38-S50 PolarHBondContact NE-OG 3.27Å; S50-H58 CarbonylContact C-O 3.52Å; S50-H58 WeakPolarHBondContact CA-O 3.47Å; S50-H59 WeakPolarHBondContact CB-ND1 3.21Å; S50-H59 PolarHBondContact OG-ND1 3.35Å
51V97.3Very high91Very high2 Ų246 Ų461%0.01222%0.219CC..EExtended strand (participates in β ladder)trans-127.8142-170.8-171.80000109.8L34 F35 L49 H58 Y60 L99L34-V51 CarbonylContact O-C 3.39Å; L34-V51 WeakPolarHBondContact O-CA 3.4Å; F35-V51 HydrophobicContact CB-CG2 4.11Å; L49-V51 HydrophobicContact CD1-CG2 4.3Å; L49-V51 HydrophobicContact CD2-CG2 4.22Å; L49-V51 HydrophobicContact CG-CG2 3.8Å; V51-H58 PolarHBondContact N-O 2.89Å; V51-H58 PolarHBondContact O-N 2.82Å; V51-Y60 HydrophobicContact CG2-CD2 4.34Å; V51-Y60 HydrophobicContact CG2-CE2 4.35Å; V51-L99 HydrophobicContact CG1-CD2 4.26Å; V51-L99 HydrophobicContact CG2-CD2 3.71Å
52V97.8Very high91.5Very high0 Ų042.1 Ų42.10%020%0.198CC..EExtended strand (participates in β ladder)trans-96.8131.1171-176.30000110.1L25 M30 G33 L34 E56 F57L25-V52 HydrophobicContact CB-CG2 3.82Å; L25-V52 HydrophobicContact CD1-CG2 3.98Å; L25-V52 HydrophobicContact CD2-CG2 4.15Å; L25-V52 HydrophobicContact CG-CG2 4.19Å; M30-V52 HydrophobicContact CB-CG1 4.29Å; M30-V52 HydrophobicContact CE-CG1 3.82Å; M30-V52 HydrophobicContact CE-CG2 4.43Å; M30-V52 WeakPolarHBondContact O-CG1 3.42Å; M30-V52 HydrophobicContact SD-CG1 4.22Å; M30-V52 HydrophobicContact SD-CG2 4.04Å; G33-V52 PolarHBondContact N-O 3.12Å; L34-V52 HydrophobicContact CB-CB 4.27Å; L34-V52 HydrophobicContact CB-CG2 4.32Å; L34-V52 HydrophobicContact CD2-CG2 4.33Å; L34-V52 PolarHBondContact O-N 3.03Å; V52-E56 WeakPolarHBondContact CA-O 3.42Å; V52-F57 HydrophobicContact CG2-CD1 4.1Å; V52-F57 HydrophobicContact CG2-CE1 4.14Å
53W97Very high91.9Very high74 Ų7435.4 Ų35.428%0.2818%0.175SC..EExtended strand (participates in β ladder)trans-149.4132.9172.8178.5-108.6000109.6D32 L55 E56 V96 C97D32-W53 HydrophobicContact CB-CE3 3.62Å; D32-W53 HydrophobicContact CB-CZ3 3.72Å; D32-W53 WeakPolarHBondContact OD1-CA 3.36Å; W53-L55 PolarHBondContact O-N 3.03Å; W53-E56 PolarHBondContact N-O 3.03Å; W53-E56 PolarHBondContact O-N 2.94Å; W53-V96 HydrophobicContact CB-CB 4.26Å; W53-V96 HydrophobicContact CB-CG2 3.74Å; W53-V96 HydrophobicContact CG-CB 4.08Å; W53-V96 HydrophobicContact CG-CG2 4.08Å; W53-C97 HydrophobicContact CD2-CB 3.79Å; W53-C97 HydrophobicContact CE3-CB 3.29Å; W53-C97 VanDerWaalsContact CE3-SG 3.54Å; W53-C97 HydrophobicContact CG-CB 4.46Å; W53-C97 HydrophobicContact CH2-CB 4.25Å; W53-C97 HydrophobicContact CZ3-CB 3.56Å
54N95.6Very high92.3Very high105 Ų10537.9 Ų37.956%0.56119%0.185SC*.THydrogen-bonded Turntrans52.438.1-178.6-69.9-18.1000113.2D32 E56D32-N54 PolarHBondContact OD1-N 2.89Å; N54-E56 PolarHBondContact O-N 2.89Å; N54-E56 VanDerWaalsContact O-N 3.15Å
55L93.6Very high92.5Very high129 Ų12939.8 Ų39.868%0.67519%0.193SC*.THydrogen-bonded Turntrans61.811.8-175.3-55.4173000115.1M30 W53M30-L55 HydrophobicContact CB-CD2 4.04Å; M30-L55 WeakPolarHBondContact CE-O 3.42Å; W53-L55 PolarHBondContact O-N 3.03Å
56E94.8Very high92.3Very high126 Ų12644.1 Ų44.159%0.58921%0.213SC*.EExtended strand (participates in β ladder)trans-106.5159.9173.8-63.1-168.1155.100111.7V52 W53 N54V52-E56 WeakPolarHBondContact CA-O 3.42Å; W53-E56 PolarHBondContact N-O 3.03Å; W53-E56 PolarHBondContact O-N 2.94Å; N54-E56 PolarHBondContact O-N 2.89Å; N54-E56 VanDerWaalsContact O-N 3.15Å
57F95.3Very high91.9Very high40 Ų4048.6 Ų48.618%0.17524%0.237CC..EExtended strand (participates in β ladder)trans-102.4125.5178-53.9-74.4000110.9E22 L25 K26 M30 V52E22-F57 HydrophobicContact CB-CD1 4.22Å; E22-F57 HydrophobicContact CB-CD2 4.13Å; E22-F57 HydrophobicContact CB-CE1 4.08Å; E22-F57 HydrophobicContact CB-CE2 4.02Å; E22-F57 HydrophobicContact CB-CG 4.25Å; E22-F57 HydrophobicContact CB-CZ 4.01Å; E22-F57 HydrophobicContact CG-CB 4.07Å; E22-F57 HydrophobicContact CG-CD1 3.94Å; E22-F57 HydrophobicContact CG-CD2 3.68Å; E22-F57 HydrophobicContact CG-CE1 4.31Å; E22-F57 HydrophobicContact CG-CE2 4.11Å; E22-F57 HydrophobicContact CG-CG 3.61Å; E22-F57 HydrophobicContact CG-CZ 4.41Å; L25-F57 HydrophobicContact CB-CD1 4.36Å; L25-F57 HydrophobicContact CB-CE1 3.87Å; L25-F57 HydrophobicContact CD1-CD1 3.99Å; L25-F57 HydrophobicContact CD1-CE1 4.34Å; K26-F57 HydrophobicContact CD-CZ 4.16Å; K26-F57 HydrophobicContact CG-CE1 4.39Å; K26-F57 HydrophobicContact CG-CZ 3.69Å; M30-F57 HydrophobicContact CE-CD1 4.28Å; M30-F57 HydrophobicContact CE-CE1 3.46Å; M30-F57 VanDerWaalsContact CE-CE1 3.46Å; M30-F57 HydrophobicContact CE-CE2 4.08Å; M30-F57 HydrophobicContact CE-CZ 3.3Å; M30-F57 HydrophobicContact SD-CD1 4.45Å; M30-F57 HydrophobicContact SD-CE1 3.33Å; M30-F57 WeakPolarHBondContact SD-CE1 3.44Å; M30-F57 HydrophobicContact SD-CZ 3.45Å; M30-F57 WeakPolarHBondContact SD-CZ 3.29Å; V52-F57 HydrophobicContact CG2-CD1 4.1Å; V52-F57 HydrophobicContact CG2-CE1 4.14Å
58H95.6Very high91.2Very high46 Ų4649.3 Ų49.321%0.21324%0.244CC..EExtended strand (participates in β ladder)trans-112.5134.3173.2-59.5-83.3000109.8S50 V51 Y60 V96S50-H58 CarbonylContact C-O 3.52Å; S50-H58 WeakPolarHBondContact CA-O 3.47Å; V51-H58 PolarHBondContact N-O 2.89Å; V51-H58 PolarHBondContact O-N 2.82Å; H58-Y60 HydrophobicContact CB-CE2 3.71Å; H58-V96 HydrophobicContact CB-CG2 4.13Å
59H94.1Very high90.9Very high44 Ų4449.8 Ų49.820%0.20425%0.247CC..EExtended strand (participates in β ladder)trans-124.7117.5-178.1-54.9-78.7000110.2R18 E22 V48 L49 S50R18-H59 PolarHBondContact NE-CD2 3.37Å; R18-H59 VanDerWaalsContact NE-CD2 3.34Å; R18-H59 PolarHBondContact NE-NE2 2.88Å; R18-H59 VanDerWaalsContact NE-NE2 3.15Å; E22-H59 IonicContact OE1-CE1 3.6Å; E22-H59 IonicContact OE1-NE2 3.53Å; E22-H59 PolarHBondContact OE1-NE2 3.2Å; V48-H59 HydrophobicContact CG1-CB 3.91Å; L49-H59 WeakPolarHBondContact O-CA 3.23Å; S50-H59 WeakPolarHBondContact CB-ND1 3.21Å; S50-H59 PolarHBondContact OG-ND1 3.35Å
60Y93.3Very high90.6Very high41 Ų4150.2 Ų50.216%0.16125%0.249CC..EExtended strand (participates in β ladder)trans-108.6121.8-179-59.9-85.2000109.9V48 L49 V51 H58 I72 L95 V96V48-Y60 CarbonylContact C-O 3.51Å; V48-Y60 VanDerWaalsContact CA-O 3.29Å; V48-Y60 WeakPolarHBondContact CA-O 3.41Å; V48-Y60 WeakPolarHBondContact CG1-O 3.45Å; L49-Y60 PolarHBondContact N-O 3.03Å; L49-Y60 PolarHBondContact O-N 2.94Å; V51-Y60 HydrophobicContact CG2-CD2 4.34Å; V51-Y60 HydrophobicContact CG2-CE2 4.35Å; H58-Y60 HydrophobicContact CB-CE2 3.71Å; Y60-I72 HydrophobicContact CD1-CG2 4.31Å; Y60-L95 HydrophobicContact CD1-CD2 3.6Å; Y60-L95 HydrophobicContact CD2-CD2 3.66Å; Y60-L95 HydrophobicContact CE1-CD2 3.6Å; Y60-L95 HydrophobicContact CE2-CD2 3.66Å; Y60-L95 HydrophobicContact CG-CD2 3.61Å; Y60-V96 HydrophobicContact CE2-CG2 4.45Å; Y60-V96 VanDerWaalsContact OH-CG1 3.3Å; Y60-V96 WeakPolarHBondContact OH-CG1 3.41Å; Y60-V96 WeakPolarHBondContact OH-CG2 3.25Å; Y60-V96 PolarHBondContact OH-N 3.28Å
61T90.2Very high90.3Very high59 Ų5951 Ų5136%0.36225%0.254SS..EExtended strand (participates in β ladder)trans-77.3128.9176.4-55.40000109E63T61-E63 HydrophobicContact CG2-CG 4.39Å
62I92Very high89.9Confident0 Ų051.6 Ų51.60%026%0.257CS..EExtended strand (participates in β ladder)trans-105.5118.8174.7-62161.7000107.3L37 G46 Y47 L49 Y70 C71 I72 L84L37-I62 HydrophobicContact CD1-CD1 3.81Å; G46-I62 CarbonylContact C-O 3.55Å; G46-I62 VanDerWaalsContact CA-O 3.27Å; G46-I62 WeakPolarHBondContact CA-O 3.31Å; Y47-I62 HydrophobicContact CD2-CG2 4.43Å; Y47-I62 PolarHBondContact N-O 3.02Å; Y47-I62 PolarHBondContact O-N 3.15Å; L49-I62 HydrophobicContact CB-CD1 3.89Å; I62-Y70 HydrophobicContact CG2-CD1 4.31Å; I62-C71 CarbonylContact C-O 3.55Å; I62-C71 WeakPolarHBondContact CA-O 3.23Å; I62-I72 HydrophobicContact CG1-CD1 4.37Å; I62-I72 HydrophobicContact CG1-CG1 3.67Å; I62-L84 HydrophobicContact CD1-CD1 4.2Å; I62-L84 HydrophobicContact CD1-CD2 3.81Å; I62-L84 HydrophobicContact CG1-CD1 4.19Å; I62-L84 HydrophobicContact CG1-CD2 4.4Å; I62-L84 HydrophobicContact CG2-CD1 3.73Å
63E86.6Confident89Confident41 Ų4155.7 Ų55.719%0.19229%0.286CS..EExtended strand (participates in β ladder)trans-98134.1179.3-63.9-171.2151.100110.7T61 Y70 C71 K229T61-E63 HydrophobicContact CG2-CG 4.39Å; E63-Y70 WeakPolarHBondContact O-CA 3.4Å; E63-C71 PolarHBondContact N-O 2.78Å; E63-C71 PolarHBondContact O-N 3.19Å; E63-C71 VanDerWaalsContact O-N 3.11Å; E63-K229 IonicContact OE1-NZ 2.9Å
64K86.6Confident87.9Confident56 Ų5656.5 Ų56.524%0.24332%0.317CS..EExtended strand (participates in β ladder)trans-80119.9167.7-173.8-176.7179.2-172.20108.9Y70 K221K64-Y70 HydrophobicContact CB-CD1 4.05Å; K64-Y70 HydrophobicContact CB-CE1 3.78Å; K64-Y70 HydrophobicContact CD-CE1 4.14Å; K64-Y70 HydrophobicContact CG-CD1 4.32Å; K64-Y70 HydrophobicContact CG-CE1 3.79Å; K64-K221 WeakPolarHBondContact O-CE 3.46Å; K64-K221 PolarHBondContact O-NZ 3.45Å
65Q84.8Confident87.3Confident54 Ų5452.7 Ų52.725%0.25230%0.302SS..PPolyproline II helixtrans-79.3161.8177.1-59.2-58.9-47.700111.1N67 G68 T69 C71Q65-N67 VanDerWaalsContact C-N 3.26Å; Q65-N67 WeakPolarHBondContact CB-OD1 3.49Å; Q65-N67 PolarHBondContact O-N 2.85Å; Q65-G68 WeakPolarHBondContact O-CA 3.48Å; Q65-G68 PolarHBondContact O-N 2.55Å; Q65-T69 WeakPolarHBondContact CB-O 3.48Å; Q65-T69 PolarHBondContact N-O 2.74Å; Q65-C71 PolarHBondContact NE2-SG 3.2Å
66M75.7Confident87Confident101 Ų10151 Ų5150%0.49829%0.29SS..THydrogen-bonded Turntrans-63-30-179.1-68.9-62.5177.900113.7G68 G220 K221 D231M66-G68 PolarHBondContact O-N 3.05Å; M66-G220 WeakPolarHBondContact CE-O 3.38Å; M66-K221 HydrophobicContact CE-CG 3.91Å; M66-D231 HydrophobicContact SD-CB 4.49Å
67N77.8Confident86.8Confident94 Ų9449.1 Ų49.150%0.50329%0.288SS..THydrogen-bonded Turntrans-77.84.7173.868.6-4.2000113.3Q65 T69Q65-N67 VanDerWaalsContact C-N 3.26Å; Q65-N67 WeakPolarHBondContact CB-OD1 3.49Å; Q65-N67 PolarHBondContact O-N 2.85Å; N67-T69 VanDerWaalsContact C-N 3.32Å; N67-T69 PolarHBondContact O-N 3.26Å; N67-T69 WeakPolarHBondContact OD1-CB 3.4Å; N67-T69 PolarHBondContact OD1-N 3.07Å; N67-T69 PolarHBondContact OD1-OG1 3.39Å
68G78.9Confident86.7Confident16 Ų1648.2 Ų48.217%0.16529%0.285CS..SBendtrans84.5-3179.900000115.1Q65 M66 Y70Q65-G68 WeakPolarHBondContact O-CA 3.48Å; Q65-G68 PolarHBondContact O-N 2.55Å; M66-G68 PolarHBondContact O-N 3.05Å; G68-Y70 WeakPolarHBondContact O-CE2 3.47Å
69T88.4Confident86.3Confident18 Ų1848.4 Ų48.411%0.1129%0.29CS..  trans-77.7163.6175.165.10000112.1Q65 N67 P77 H78 A608Q65-T69 WeakPolarHBondContact CB-O 3.48Å; Q65-T69 PolarHBondContact N-O 2.74Å; N67-T69 VanDerWaalsContact C-N 3.32Å; N67-T69 PolarHBondContact O-N 3.26Å; N67-T69 WeakPolarHBondContact OD1-CB 3.4Å; N67-T69 PolarHBondContact OD1-N 3.07Å; N67-T69 PolarHBondContact OD1-OG1 3.39Å; T69-P77 HydrophobicContact CG2-CB 4.47Å; T69-H78 CarbonylContact C-O 3.54Å; T69-H78 VanDerWaalsContact CA-O 3.22Å; T69-H78 WeakPolarHBondContact CA-O 3.49Å; T69-H78 VanDerWaalsContact CB-O 3.29Å; T69-H78 WeakPolarHBondContact CB-O 3.49Å; T69-A608 HydrophobicContact CG2-CB 4.13Å
70Y90.4Very high86.1Confident8 Ų846.4 Ų46.43%0.03128%0.282CS..EExtended strand (participates in β ladder)trans-121.8131.4-177.4-61.9-90000110.1P5 G45 Y47 I62 E63 K64 G68 H78P5-Y70 WeakPolarHBondContact CG-OH 3.38Å; G45-Y70 WeakPolarHBondContact O-CE1 3.44Å; Y47-Y70 HydrophobicContact CD2-CD1 4.05Å; Y47-Y70 HydrophobicContact CD2-CE1 4.08Å; Y47-Y70 AromaticContact CE2-CD1 3.88Å; Y47-Y70 HydrophobicContact CE2-CD1 3.88Å; Y47-Y70 AromaticContact CE2-CE1 3.48Å; Y47-Y70 HydrophobicContact CE2-CE1 3.48Å; Y47-Y70 VanDerWaalsContact CE2-CE1 3.48Å; I62-Y70 HydrophobicContact CG2-CD1 4.31Å; E63-Y70 WeakPolarHBondContact O-CA 3.4Å; K64-Y70 HydrophobicContact CB-CD1 4.05Å; K64-Y70 HydrophobicContact CB-CE1 3.78Å; K64-Y70 HydrophobicContact CD-CE1 4.14Å; K64-Y70 HydrophobicContact CG-CD1 4.32Å; K64-Y70 HydrophobicContact CG-CE1 3.79Å; G68-Y70 WeakPolarHBondContact O-CE2 3.47Å; Y70-H78 PolarHBondContact N-O 3.29Å; Y70-H78 PolarHBondContact O-N 3.45Å
71C90.2Very high86Confident16 Ų1644.5 Ų44.511%0.10828%0.275CS..EExtended strand (participates in β ladder)trans-141.2151.917362.70000111.8I62 E63 Q65 K76I62-C71 CarbonylContact C-O 3.55Å; I62-C71 WeakPolarHBondContact CA-O 3.23Å; E63-C71 PolarHBondContact N-O 2.78Å; E63-C71 PolarHBondContact O-N 3.19Å; E63-C71 VanDerWaalsContact O-N 3.11Å; Q65-C71 PolarHBondContact NE2-SG 3.2Å; C71-K76 WeakPolarHBondContact CB-O 3.32Å
72I90.4Very high86Confident16 Ų1642.4 Ų42.48%0.08226%0.264CS..EExtended strand (participates in β ladder)trans-76.7145.2162.3-62.9176.4000107L49 Y60 I62 G74 G75 Y88 L95L49-I72 HydrophobicContact CD2-CD1 4.11Å; Y60-I72 HydrophobicContact CD1-CG2 4.31Å; I62-I72 HydrophobicContact CG1-CD1 4.37Å; I62-I72 HydrophobicContact CG1-CG1 3.67Å; I72-G74 PolarHBondContact O-N 2.93Å; I72-G75 WeakPolarHBondContact O-CA 3.3Å; I72-G75 PolarHBondContact O-N 3.11Å; I72-Y88 HydrophobicContact CD1-CD2 4.33Å; I72-Y88 HydrophobicContact CD1-CE1 4.4Å; I72-Y88 HydrophobicContact CD1-CE2 3.76Å; I72-Y88 HydrophobicContact CG1-CE2 4.33Å; I72-L95 HydrophobicContact CD1-CD2 3.81Å
73S77.6Confident86Confident86 Ų8645.1 Ų45.160%0.60128%0.277SS*.THydrogen-bonded Turntrans-50116.8-177.2-56.50000112.2G75S73-G75 VanDerWaalsContact C-N 3.33Å
74G73.9Confident86.4Confident91 Ų9143.2 Ų43.294%0.93827%0.268SS*.THydrogen-bonded Turntrans84-3.2-178.100000115.8I72I72-G74 PolarHBondContact O-N 2.93Å
75G83.8Confident86.8Confident24 Ų2440.7 Ų40.725%0.24726%0.257CS..SBendtrans-95.7-177.6178.100000114.1I72 S73I72-G75 WeakPolarHBondContact O-CA 3.3Å; I72-G75 PolarHBondContact O-N 3.11Å; S73-G75 VanDerWaalsContact C-N 3.33Å
76K87.7Confident87.2Confident95 Ų9544 Ų4441%0.41327%0.273SS..  trans-72.7147.2-178-66.5169-168.4157.50112.5C71 H78 F87 D93C71-K76 WeakPolarHBondContact CB-O 3.32Å; K76-H78 PolarHBondContact O-CD2 3.47Å; K76-H78 PolarHBondContact O-NE2 3.44Å; K76-F87 HydrophobicContact CD-CE2 4.4Å; K76-F87 HydrophobicContact CD-CZ 3.89Å; K76-D93 WeakPolarHBondContact CD-OD2 3.49Å; K76-D93 WeakPolarHBondContact CE-OD2 3.45Å; K76-D93 IonicContact NZ-OD1 3.61Å; K76-D93 IonicContact NZ-OD2 3.7Å
77P90.6Very high88.1Confident86 Ų8641.5 Ų41.556%0.55826%0.26SS*.  trans-77139.5172.330.7-33000111.9T69T69-P77 HydrophobicContact CG2-CB 4.47Å
78H91.6Very high89Confident21 Ų2137.1 Ų37.110%0.09724%0.236CC..BIsolated β-bridgetrans-126.2149.9179.1-58.9-82.4000111T69 Y70 K76 G80 L84 F87 Y88T69-H78 CarbonylContact C-O 3.54Å; T69-H78 VanDerWaalsContact CA-O 3.22Å; T69-H78 WeakPolarHBondContact CA-O 3.49Å; T69-H78 VanDerWaalsContact CB-O 3.29Å; T69-H78 WeakPolarHBondContact CB-O 3.49Å; Y70-H78 PolarHBondContact N-O 3.29Å; Y70-H78 PolarHBondContact O-N 3.45Å; K76-H78 PolarHBondContact O-CD2 3.47Å; K76-H78 PolarHBondContact O-NE2 3.44Å; H78-G80 PolarHBondContact O-N 3.43Å; H78-L84 HydrophobicContact CB-CB 3.91Å; H78-F87 AromaticContact CE1-CD1 3.43Å; H78-F87 VanDerWaalsContact CE1-CD1 3.43Å; H78-F87 WeakPolarHBondContact CE1-CD1 3.49Å; H78-F87 AromaticContact CE1-CD2 3.98Å; H78-F87 AromaticContact CE1-CG 3.34Å; H78-F87 WeakPolarHBondContact CE1-CG 3.5Å; H78-F87 AromaticContact NE2-CD1 3.76Å; H78-Y88 AromaticContact NE2-CE2 3.96Å
79C87.8Confident89.7Confident49 Ų4938.8 Ų38.833%0.33125%0.245SC..SBendtrans-73.5-13.3-176.2-62.60000114.1
80G89.4Confident90.1Very high2 Ų246 Ų462%0.02128%0.275CS..SBendtrans-169.1166.4-178.800000112.8H78 G82 E83 L84H78-G80 PolarHBondContact O-N 3.43Å; G80-G82 VanDerWaalsContact C-N 3.32Å; G80-G82 PolarHBondContact O-N 3.16Å; G80-E83 VanDerWaalsContact CA-OE2 3.25Å; G80-E83 WeakPolarHBondContact CA-OE2 3.16Å; G80-L84 WeakPolarHBondContact O-CB 3.42Å; G80-L84 PolarHBondContact O-N 3.18Å
81P91.2Very high90.1Very high2 Ų248.5 Ų48.51%0.01329%0.288CS..Hα-helixtrans-66.9-30.7179.724.6-32.4000113.1P5 A6 L9 L37 Y47 C85P5-P81 HydrophobicContact CB-CG 4.37Å; P5-P81 HydrophobicContact CG-CG 4.36Å; A6-P81 HydrophobicContact CB-CB 4.26Å; A6-P81 HydrophobicContact CB-CG 3.83Å; L9-P81 HydrophobicContact CD1-CB 4.29Å; L9-P81 HydrophobicContact CD1-CG 4.4Å; L37-P81 HydrophobicContact CD2-CB 3.83Å; Y47-P81 HydrophobicContact CD2-CB 4.19Å; Y47-P81 HydrophobicContact CE2-CB 3.96Å; Y47-P81 HydrophobicContact CE2-CG 4.02Å; P81-C85 PolarHBondContact O-N 3.31Å; P81-C85 VanDerWaalsContact O-N 3.1Å; P81-C85 PolarHBondContact O-SG 3.36Å
82G91.3Very high90.1Very high14 Ų1450 Ų5014%0.14430%0.298CS..Hα-helixtrans-66.5-51.3175.300000111.7G80 L84 C85 E86G80-G82 VanDerWaalsContact C-N 3.32Å; G80-G82 PolarHBondContact O-N 3.16Å; G82-L84 VanDerWaalsContact C-N 3.26Å; G82-L84 PolarHBondContact O-N 2.82Å; G82-C85 PolarHBondContact O-N 3.05Å; G82-C85 VanDerWaalsContact O-N 3.12Å; G82-E86 WeakPolarHBondContact O-CG 3.41Å; G82-E86 PolarHBondContact O-N 3.25Å
83E92.3Very high90.1Very high58 Ų5851.9 Ų51.927%0.27131%0.309SS..Hα-helixtrans-61.3-35.8177.8-66.179.6-17900111.9G80 E86 F87 K607G80-E83 VanDerWaalsContact CA-OE2 3.25Å; G80-E83 WeakPolarHBondContact CA-OE2 3.16Å; E83-E86 PolarHBondContact O-N 2.96Å; E83-F87 WeakPolarHBondContact O-CB 3.29Å; E83-F87 PolarHBondContact O-N 3.25Å; E83-K607 WeakPolarHBondContact OE1-CE 3.44Å; E83-K607 IonicContact OE1-NZ 3.8Å; E83-K607 PolarHBondContact OE1-NZ 3.49Å
84L93.8Very high90.5Very high0 Ų051.5 Ų51.50%032%0.318CS..Hα-helixtrans-60.5-51.8172.5-173.7152.1000110.6I62 H78 G80 G82 E86 F87 Y88I62-L84 HydrophobicContact CD1-CD1 4.2Å; I62-L84 HydrophobicContact CD1-CD2 3.81Å; I62-L84 HydrophobicContact CG1-CD1 4.19Å; I62-L84 HydrophobicContact CG1-CD2 4.4Å; I62-L84 HydrophobicContact CG2-CD1 3.73Å; H78-L84 HydrophobicContact CB-CB 3.91Å; G80-L84 WeakPolarHBondContact O-CB 3.42Å; G80-L84 PolarHBondContact O-N 3.18Å; G82-L84 VanDerWaalsContact C-N 3.26Å; G82-L84 PolarHBondContact O-N 2.82Å; L84-E86 VanDerWaalsContact C-N 3.32Å; L84-E86 PolarHBondContact O-N 2.82Å; L84-F87 PolarHBondContact O-N 3.08Å; L84-Y88 HydrophobicContact CD1-CE2 4.48Å; L84-Y88 HydrophobicContact CD2-CD2 3.57Å; L84-Y88 HydrophobicContact CD2-CE2 3.73Å; L84-Y88 HydrophobicContact CG-CD2 3.93Å; L84-Y88 HydrophobicContact CG-CE2 3.77Å; L84-Y88 WeakPolarHBondContact O-CD2 3.22Å; L84-Y88 PolarHBondContact O-N 2.89Å; L84-Y88 VanDerWaalsContact O-N 3.08Å
85C94.7Very high91.3Very high3 Ų348 Ų482%0.0228%0.278CS..Hα-helixtrans-62.2-39.1178.3-72.70000112.2F11 F35 P81 G82 F87 Y88 S89 L99F11-C85 HydrophobicContact CE2-CB 4.37Å; F11-C85 HydrophobicContact CZ-CB 4.37Å; F35-C85 HydrophobicContact CE2-CB 4.36Å; P81-C85 PolarHBondContact O-N 3.31Å; P81-C85 VanDerWaalsContact O-N 3.1Å; P81-C85 PolarHBondContact O-SG 3.36Å; G82-C85 PolarHBondContact O-N 3.05Å; G82-C85 VanDerWaalsContact O-N 3.12Å; C85-F87 VanDerWaalsContact C-N 3.34Å; C85-F87 PolarHBondContact O-N 2.88Å; C85-Y88 PolarHBondContact O-N 2.92Å; C85-S89 PolarHBondContact O-N 3.09Å; C85-S89 PolarHBondContact O-OG 3.11Å; C85-L99 HydrophobicContact CB-CD1 4.25Å
86E94.1Very high91.8Very high124 Ų12449.3 Ų49.358%0.57928%0.281SS*.Hα-helixtrans-62.4-39.5175.9-74.2-179.6-16900112.7G82 E83 L84 S89G82-E86 WeakPolarHBondContact O-CG 3.41Å; G82-E86 PolarHBondContact O-N 3.25Å; E83-E86 PolarHBondContact O-N 2.96Å; L84-E86 VanDerWaalsContact C-N 3.32Å; L84-E86 PolarHBondContact O-N 2.82Å; E86-S89 PolarHBondContact O-N 2.78Å
87F94.9Very high92.1Very high49 Ų4945.3 Ų45.322%0.21527%0.265CS..Hα-helixtrans-63.2-51.7175.1174.5-95.5000111.4K76 H78 E83 L84 C85 S89 K90 D91 D93K76-F87 HydrophobicContact CD-CE2 4.4Å; K76-F87 HydrophobicContact CD-CZ 3.89Å; H78-F87 AromaticContact CE1-CD1 3.43Å; H78-F87 VanDerWaalsContact CE1-CD1 3.43Å; H78-F87 WeakPolarHBondContact CE1-CD1 3.49Å; H78-F87 AromaticContact CE1-CD2 3.98Å; H78-F87 AromaticContact CE1-CG 3.34Å; H78-F87 WeakPolarHBondContact CE1-CG 3.5Å; H78-F87 AromaticContact NE2-CD1 3.76Å; E83-F87 WeakPolarHBondContact O-CB 3.29Å; E83-F87 PolarHBondContact O-N 3.25Å; L84-F87 PolarHBondContact O-N 3.08Å; C85-F87 VanDerWaalsContact C-N 3.34Å; C85-F87 PolarHBondContact O-N 2.88Å; F87-S89 PolarHBondContact O-N 2.77Å; F87-S89 VanDerWaalsContact O-N 3.11Å; F87-K90 PolarHBondContact O-N 2.78Å; F87-D91 HydrophobicContact CE1-CB 4.31Å; F87-D91 HydrophobicContact CE2-CB 4.3Å; F87-D91 HydrophobicContact CZ-CB 3.94Å; F87-D91 PolarHBondContact O-N 2.94Å; F87-D93 HydrophobicContact CE1-CB 3.74Å; F87-D93 HydrophobicContact CZ-CB 4.15Å
88Y95.3Very high92.4Very high2 Ų244.1 Ų44.11%0.00825%0.253CS..Hα-helixtrans-69.7-8-179.8-72.6-72.7000114.4I72 H78 L84 C85 K90 D91 P92 D93 L95 L99I72-Y88 HydrophobicContact CD1-CD2 4.33Å; I72-Y88 HydrophobicContact CD1-CE1 4.4Å; I72-Y88 HydrophobicContact CD1-CE2 3.76Å; I72-Y88 HydrophobicContact CG1-CE2 4.33Å; H78-Y88 AromaticContact NE2-CE2 3.96Å; L84-Y88 HydrophobicContact CD1-CE2 4.48Å; L84-Y88 HydrophobicContact CD2-CD2 3.57Å; L84-Y88 HydrophobicContact CD2-CE2 3.73Å; L84-Y88 HydrophobicContact CG-CD2 3.93Å; L84-Y88 HydrophobicContact CG-CE2 3.77Å; L84-Y88 WeakPolarHBondContact O-CD2 3.22Å; L84-Y88 PolarHBondContact O-N 2.89Å; L84-Y88 VanDerWaalsContact O-N 3.08Å; C85-Y88 PolarHBondContact O-N 2.92Å; Y88-K90 VanDerWaalsContact C-N 3.29Å; Y88-D91 WeakPolarHBondContact CA-O 3.39Å; Y88-P92 WeakPolarHBondContact CD1-O 3.21Å; Y88-P92 WeakPolarHBondContact CE1-O 3.48Å; Y88-D93 HydrophobicContact CD1-CB 4.48Å; Y88-D93 HydrophobicContact CE1-CB 3.87Å; Y88-L95 HydrophobicContact CD1-CD1 3.28Å; Y88-L95 HydrophobicContact CD1-CG 3.6Å; Y88-L95 HydrophobicContact CD2-CD1 4.45Å; Y88-L95 HydrophobicContact CE1-CD1 3.94Å; Y88-L95 HydrophobicContact CE1-CD2 4.43Å; Y88-L95 HydrophobicContact CE1-CG 3.79Å; Y88-L95 HydrophobicContact CG-CD1 3.58Å; Y88-L95 HydrophobicContact CG-CG 4.36Å; Y88-L99 PolarHBondContact O-N 2.88Å
89S95.2Very high92.6Very high50 Ų5043.3 Ų43.335%0.3525%0.25SC..THydrogen-bonded Turntrans-79-16.1168.8-56.50000112.5C85 E86 F87 L99C85-S89 PolarHBondContact O-N 3.09Å; C85-S89 PolarHBondContact O-OG 3.11Å; E86-S89 PolarHBondContact O-N 2.78Å; F87-S89 PolarHBondContact O-N 2.77Å; F87-S89 VanDerWaalsContact O-N 3.11Å; S89-L99 WeakPolarHBondContact CA-O 3.33Å; S89-L99 WeakPolarHBondContact CB-O 3.46Å
90K95.1Very high93Very high171 Ų17147.6 Ų47.674%0.74326%0.262SS*.THydrogen-bonded Turntrans-112.5-32.9-177.8-62.1174.8-174.4169.50113F87 Y88 L98F87-K90 PolarHBondContact O-N 2.78Å; Y88-K90 VanDerWaalsContact C-N 3.29Å; K90-L98 VanDerWaalsContact C-CD2 3.4Å
91D92.3Very high93.3Very high59 Ų5952.9 Ų52.932%0.31629%0.285SS..  trans-137122.3-178.4-176.7-7.1000109.8F87 Y88 D93F87-D91 HydrophobicContact CE1-CB 4.31Å; F87-D91 HydrophobicContact CE2-CB 4.3Å; F87-D91 HydrophobicContact CZ-CB 3.94Å; F87-D91 PolarHBondContact O-N 2.94Å; Y88-D91 WeakPolarHBondContact CA-O 3.39Å; D91-D93 VanDerWaalsContact C-N 3.28Å; D91-D93 PolarHBondContact O-N 3.02Å; D91-D93 PolarHBondContact OD1-N 3.33Å
92P89.1Confident93.5Very high49 Ų4954.9 Ų54.932%0.31830%0.298SS..  trans-68.5-26-179.128.8-34.1000112.8Y88 G94 L95 L98Y88-P92 WeakPolarHBondContact CD1-O 3.21Å; Y88-P92 WeakPolarHBondContact CE1-O 3.48Å; P92-G94 PolarHBondContact O-N 2.7Å; P92-L95 HydrophobicContact CB-CB 4.44Å; P92-L95 VanDerWaalsContact O-CB 3.22Å; P92-L95 WeakPolarHBondContact O-CB 3.43Å; P92-L95 VanDerWaalsContact O-CG 3.25Å; P92-L95 WeakPolarHBondContact O-CG 3.34Å; P92-L95 PolarHBondContact O-N 3.39Å; P92-L98 HydrophobicContact CB-CD2 4.34Å; P92-L98 HydrophobicContact CG-CD2 4.43Å
93D90.3Very high93.8Very high55 Ų5554.5 Ų54.529%0.29429%0.293SS..THydrogen-bonded Turntrans36.248.4176.9-15827.4000114.7K76 F87 Y88 D91K76-D93 WeakPolarHBondContact CD-OD2 3.49Å; K76-D93 WeakPolarHBondContact CE-OD2 3.45Å; K76-D93 IonicContact NZ-OD1 3.61Å; K76-D93 IonicContact NZ-OD2 3.7Å; F87-D93 HydrophobicContact CE1-CB 3.74Å; F87-D93 HydrophobicContact CZ-CB 4.15Å; Y88-D93 HydrophobicContact CD1-CB 4.48Å; Y88-D93 HydrophobicContact CE1-CB 3.87Å; D91-D93 VanDerWaalsContact C-N 3.28Å; D91-D93 PolarHBondContact O-N 3.02Å; D91-D93 PolarHBondContact OD1-N 3.33Å
94G86Confident93.9Very high77 Ų7756.6 Ų56.679%0.79431%0.305SS*.THydrogen-bonded Turntrans96.4-5.7-179.600000116.5P92P92-G94 PolarHBondContact O-N 2.7Å
95L91.9Very high93.9Very high18 Ų1859 Ų599%0.09431%0.314CS..SBendtrans-71.3156.2168-60.8-172.2000111.8L49 Y60 I72 Y88 P92 C97 L99L49-L95 HydrophobicContact CD2-CD1 4.04Å; Y60-L95 HydrophobicContact CD1-CD2 3.6Å; Y60-L95 HydrophobicContact CD2-CD2 3.66Å; Y60-L95 HydrophobicContact CE1-CD2 3.6Å; Y60-L95 HydrophobicContact CE2-CD2 3.66Å; Y60-L95 HydrophobicContact CG-CD2 3.61Å; I72-L95 HydrophobicContact CD1-CD2 3.81Å; Y88-L95 HydrophobicContact CD1-CD1 3.28Å; Y88-L95 HydrophobicContact CD1-CG 3.6Å; Y88-L95 HydrophobicContact CD2-CD1 4.45Å; Y88-L95 HydrophobicContact CE1-CD1 3.94Å; Y88-L95 HydrophobicContact CE1-CD2 4.43Å; Y88-L95 HydrophobicContact CE1-CG 3.79Å; Y88-L95 HydrophobicContact CG-CD1 3.58Å; Y88-L95 HydrophobicContact CG-CG 4.36Å; P92-L95 HydrophobicContact CB-CB 4.44Å; P92-L95 VanDerWaalsContact O-CB 3.22Å; P92-L95 WeakPolarHBondContact O-CB 3.43Å; P92-L95 VanDerWaalsContact O-CG 3.25Å; P92-L95 WeakPolarHBondContact O-CG 3.34Å; P92-L95 PolarHBondContact O-N 3.39Å; L95-C97 PolarHBondContact O-N 2.93Å; L95-L99 HydrophobicContact CD1-CD2 4.49Å
96V94Very high93.5Very high52 Ų5261.7 Ų61.732%0.31533%0.332SS..SBendtrans-60.5-30.2175.6-75.40000113.2W53 H58 Y60W53-V96 HydrophobicContact CB-CB 4.26Å; W53-V96 HydrophobicContact CB-CG2 3.74Å; W53-V96 HydrophobicContact CG-CB 4.08Å; W53-V96 HydrophobicContact CG-CG2 4.08Å; H58-V96 HydrophobicContact CB-CG2 4.13Å; Y60-V96 HydrophobicContact CE2-CG2 4.45Å; Y60-V96 VanDerWaalsContact OH-CG1 3.3Å; Y60-V96 WeakPolarHBondContact OH-CG1 3.41Å; Y60-V96 WeakPolarHBondContact OH-CG2 3.25Å; Y60-V96 PolarHBondContact OH-N 3.28Å
97C94.2Very high92.8Very high11 Ų1162.3 Ų62.37%0.07435%0.347CS..SBendtrans-160.6170.6176.467.30000111.6W53 L95W53-C97 HydrophobicContact CD2-CB 3.79Å; W53-C97 HydrophobicContact CE3-CB 3.29Å; W53-C97 VanDerWaalsContact CE3-SG 3.54Å; W53-C97 HydrophobicContact CG-CB 4.46Å; W53-C97 HydrophobicContact CH2-CB 4.25Å; W53-C97 HydrophobicContact CZ3-CB 3.56Å; L95-C97 PolarHBondContact O-N 2.93Å
98L95.5Very high92.2Very high60 Ų6068.7 Ų68.731%0.31438%0.377SS..  trans-66.5144.3170.3-71.3172000111.5G33 K90 P92 K100G33-L98 WeakPolarHBondContact CA-O 3.22Å; K90-L98 VanDerWaalsContact C-CD2 3.4Å; P92-L98 HydrophobicContact CB-CD2 4.34Å; P92-L98 HydrophobicContact CG-CD2 4.43Å; L98-K100 PolarHBondContact O-N 2.99Å
99L96.9Very high91.8Very high5 Ų571.9 Ų71.93%0.02639%0.393CS..  trans-70.7119.4167.9-56.6-175.2000109.3F35 L49 V51 C85 Y88 S89 L95F35-L99 HydrophobicContact CB-CD2 3.81Å; F35-L99 HydrophobicContact CD1-CB 3.8Å; F35-L99 HydrophobicContact CD1-CD2 4.02Å; F35-L99 HydrophobicContact CD1-CG 4.32Å; F35-L99 HydrophobicContact CD2-CD1 4.14Å; F35-L99 HydrophobicContact CD2-CD2 4.32Å; F35-L99 HydrophobicContact CE1-CB 3.77Å; F35-L99 HydrophobicContact CE1-CD1 4.5Å; F35-L99 HydrophobicContact CE2-CD1 4.12Å; F35-L99 HydrophobicContact CG-CB 4.35Å; F35-L99 HydrophobicContact CG-CD1 4.33Å; F35-L99 HydrophobicContact CG-CD2 3.8Å; F35-L99 HydrophobicContact CG-CG 4.38Å; F35-L99 HydrophobicContact CZ-CB 4.3Å; F35-L99 HydrophobicContact CZ-CD1 4.3Å; L49-L99 HydrophobicContact CD1-CD1 4.13Å; L49-L99 HydrophobicContact CD1-CD2 4.28Å; L49-L99 HydrophobicContact CD2-CD1 4.11Å; L49-L99 HydrophobicContact CD2-CD2 4.19Å; V51-L99 HydrophobicContact CG1-CD2 4.26Å; V51-L99 HydrophobicContact CG2-CD2 3.71Å; C85-L99 HydrophobicContact CB-CD1 4.25Å; Y88-L99 PolarHBondContact O-N 2.88Å; S89-L99 WeakPolarHBondContact CA-O 3.33Å; S89-L99 WeakPolarHBondContact CB-O 3.46Å; L95-L99 HydrophobicContact CD1-CD2 4.49Å
100K95.1Very high91.3Very high138 Ų13874.5 Ų74.560%0.641%0.409SS*.  trans-112.6-53.8-175.6-67.2-177.9-175.1172.20112.2G33 L98G33-K100 PolarHBondContact O-N 3.07Å; L98-K100 PolarHBondContact O-N 2.99Å
101K95.4Very high90.9Very high113 Ų11367.7 Ų67.749%0.49138%0.382SS..EExtended strand (participates in β ladder)trans-124.4117.1-172.7-172178.9177.6-171.70110.1G33 L34 F35G33-K101 PolarHBondContact O-N 3.1Å; G33-K101 VanDerWaalsContact O-N 3.07Å; L34-K101 VanDerWaalsContact CA-O 3.28Å; L34-K101 WeakPolarHBondContact CA-O 3.48Å; L34-K101 HydrophobicContact CD1-CB 4.22Å; L34-K101 HydrophobicContact CD1-CD 4.2Å; L34-K101 HydrophobicContact CD1-CG 4.12Å; L34-K101 WeakPolarHBondContact CD1-O 3.42Å; F35-K101 VanDerWaalsContact CD1-O 3.27Å; F35-K101 WeakPolarHBondContact CD1-O 3.33Å; F35-K101 PolarHBondContact N-O 3.33Å
102P96.9Very high90.7Very high45 Ų4569.8 Ų69.829%0.29239%0.388SS..EExtended strand (participates in β ladder)trans-71.2133.1171.327.9-32.2000110.2F11 F35 L104F11-P102 HydrophobicContact CB-CB 3.82Å; F11-P102 HydrophobicContact CD1-CB 3.52Å; F11-P102 HydrophobicContact CD1-CG 4.38Å; F11-P102 HydrophobicContact CE1-CB 4.32Å; F11-P102 HydrophobicContact CG-CB 3.82Å; F35-P102 HydrophobicContact CE1-CB 3.95Å; F35-P102 HydrophobicContact CE2-CB 4.45Å; F35-P102 HydrophobicContact CZ-CB 3.82Å; P102-L104 HydrophobicContact CB-CD2 4Å; P102-L104 HydrophobicContact CG-CD2 3.94Å; P102-L104 PolarHBondContact O-N 2.86Å; P102-L104 VanDerWaalsContact O-N 3.17Å
103C96.4Very high90.5Very high6 Ų672.6 Ų72.64%0.04140%0.399CS..  trans-79.491.4168.2177.10000107.8Y13 L25 A28 L34 F35 L36Y13-C103 WeakPolarHBondContact CE2-O 3.41Å; Y13-C103 PolarHBondContact OH-O 3.35Å; Y13-C103 PolarHBondContact OH-SG 3.2Å; L25-C103 HydrophobicContact CD2-CB 3.97Å; A28-C103 HydrophobicContact CB-CB 4.35Å; A28-C103 VanDerWaalsContact CB-SG 3.6Å; L34-C103 HydrophobicContact CD1-CB 3.92Å; L34-C103 HydrophobicContact CG-CB 4.34Å; F35-C103 VanDerWaalsContact O-CB 3.3Å; F35-C103 WeakPolarHBondContact O-CB 3.36Å; F35-C103 PolarHBondContact O-N 3.46Å; L36-C103 HydrophobicContact CB-CB 4.14Å
104L95.3Very high90.2Very high101 Ų10170.4 Ų70.453%0.52939%0.389SS..PPolyproline II helixtrans-65.9139.3-177.5-54.1180000110.7P10 Y13 P102P10-L104 HydrophobicContact CB-CD2 4.02Å; P10-L104 HydrophobicContact CG-CD2 3.91Å; Y13-L104 PolarHBondContact OH-O 2.89Å; Y13-L104 VanDerWaalsContact OH-O 3.12Å; P102-L104 HydrophobicContact CB-CD2 4Å; P102-L104 HydrophobicContact CG-CD2 3.94Å; P102-L104 PolarHBondContact O-N 2.86Å; P102-L104 VanDerWaalsContact O-N 3.17Å
105R93.3Very high90.1Very high50 Ų5069.5 Ų69.519%0.18937%0.368CS..PPolyproline II helixtrans-63139.9168.5-104.4-169.4-59.9130.23.8109.8P10 F12 Y13 M109P10-R105 PolarHBondContact O-N 3.48Å; F12-R105 VanDerWaalsContact O-CZ 3.26Å; F12-R105 PolarHBondContact O-NE 2.88Å; F12-R105 PolarHBondContact O-NH2 3.21Å; F12-R105 VanDerWaalsContact O-NH2 3.16Å; Y13-R105 HydrophobicContact CD1-CG 3.49Å; Y13-R105 VanDerWaalsContact CD1-CG 3.49Å; Y13-R105 HydrophobicContact CD2-CG 3.96Å; Y13-R105 HydrophobicContact CE1-CB 4.42Å; Y13-R105 HydrophobicContact CE1-CG 3.34Å; Y13-R105 HydrophobicContact CE2-CG 3.81Å; Y13-R105 HydrophobicContact CG-CG 3.8Å; Y13-R105 VanDerWaalsContact CZ-CG 3.5Å; R105-M109 WeakPolarHBondContact CD-O 3.39Å; R105-M109 HydrophobicContact CG-SD 4.45Å; R105-M109 PolarHBondContact NH1-O 3.24Å
106P87.4Confident89.7Confident60 Ų6068.9 Ų68.939%0.3937%0.365SS..PPolyproline II helixtrans-55.3140.7165.5-23.133.5000110.5E108 M109P106-E108 PolarHBondContact O-N 3.03Å; P106-E108 VanDerWaalsContact O-N 3.13Å; P106-M109 HydrophobicContact CB-CB 4.21Å; P106-M109 HydrophobicContact CG-CB 4.41Å; P106-M109 WeakPolarHBondContact O-CB 3.27Å; P106-M109 PolarHBondContact O-N 3.1Å
107P78.8Confident89.1Confident137 Ų13766.8 Ų66.889%0.8935%0.352SS*.THydrogen-bonded Turntrans-55.8-32.4-179.1-26.634.3000114.1M109P107-M109 VanDerWaalsContact C-N 3.26Å; P107-M109 PolarHBondContact O-N 2.9Å
108E82.5Confident88.6Confident184 Ų18472 Ų7286%0.8637%0.373SS*.THydrogen-bonded Turntrans-73.2-15.1179.6-51-85.1166.100113P106 P110P106-E108 PolarHBondContact O-N 3.03Å; P106-E108 VanDerWaalsContact O-N 3.13Å; E108-P110 VanDerWaalsContact O-CD 3.27Å; E108-P110 WeakPolarHBondContact O-CD 3.31Å
109M85.6Confident88.1Confident69 Ų6969.2 Ų69.234%0.3436%0.359SS..  trans-97.1107.9-170.5-173.8171.3-76.500111.3Y13 R105 P106 P107Y13-M109 HydrophobicContact CD1-SD 4.21Å; Y13-M109 HydrophobicContact CE1-SD 4.07Å; R105-M109 WeakPolarHBondContact CD-O 3.39Å; R105-M109 HydrophobicContact CG-SD 4.45Å; R105-M109 PolarHBondContact NH1-O 3.24Å; P106-M109 HydrophobicContact CB-CB 4.21Å; P106-M109 HydrophobicContact CG-CB 4.41Å; P106-M109 WeakPolarHBondContact O-CB 3.27Å; P106-M109 PolarHBondContact O-N 3.1Å; P107-M109 VanDerWaalsContact C-N 3.26Å; P107-M109 PolarHBondContact O-N 2.9Å
110P84.5Confident87.5Confident104 Ų10470.6 Ų70.668%0.67536%0.364SS*.PPolyproline II helixtrans-69.1157.5175.229.8-34.8000111.3E108 K112E108-P110 VanDerWaalsContact O-CD 3.27Å; E108-P110 WeakPolarHBondContact O-CD 3.31Å; P110-K112 PolarHBondContact O-N 3.22Å
111V87.8Confident86.9Confident29 Ų2966.4 Ų66.418%0.17635%0.346CS..PPolyproline II helixtrans-60.8128.8170.8178.10000108.8V7 F12 I113V7-V111 HydrophobicContact CG2-CG2 4.22Å; F12-V111 HydrophobicContact CD1-CG1 4.1Å; F12-V111 HydrophobicContact CD1-CG2 4.35Å; F12-V111 HydrophobicContact CE1-CG1 3.7Å; V111-I113 PolarHBondContact O-N 3.18Å
112K88Confident86.5Confident102 Ų10264.6 Ų64.644%0.44334%0.342SS..BIsolated β-bridgetrans-72.5117.9179.5-174.6167.6172.7178.10110.3Y13 S15 I16 D20 P110Y13-K112 PolarHBondContact O-N 3.3Å; S15-K112 PolarHBondContact N-O 3.4Å; S15-K112 WeakPolarHBondContact O-CD 3.33Å; S15-K112 VanDerWaalsContact O-CE 3.31Å; S15-K112 WeakPolarHBondContact O-CE 3.32Å; I16-K112 HydrophobicContact CG2-CB 4.04Å; I16-K112 HydrophobicContact CG2-CD 3.85Å; D20-K112 IonicContact OD2-NZ 3.63Å; D20-K112 PolarHBondContact OD2-NZ 3.33Å; P110-K112 PolarHBondContact O-N 3.22Å
113I85.7Confident86Confident109 Ų10962.7 Ų62.756%0.55933%0.329SS*.PPolyproline II helixtrans-77.1127.5-179.7-57.6177.3000109.8V111 D117 K118V111-I113 PolarHBondContact O-N 3.18Å; I113-D117 HydrophobicContact CG2-CB 3.63Å; I113-K118 HydrophobicContact CG2-CG 4.48Å
114G83.4Confident85.5Confident8 Ų862.7 Ų62.78%0.08233%0.329CS..  trans-95.6-179.6-179.300000115.1S15 F116 D117 K118S15-G114 VanDerWaalsContact CB-CA 3.44Å; S15-G114 VanDerWaalsContact OG-CA 3.25Å; S15-G114 WeakPolarHBondContact OG-CA 3.48Å; G114-F116 VanDerWaalsContact C-N 3.33Å; G114-D117 PolarHBondContact N-OD2 2.71Å; G114-D117 PolarHBondContact O-N 3.12Å; G114-K118 PolarHBondContact O-N 2.96Å
115V84.2Confident85.2Confident58 Ų5860.3 Ų60.335%0.35231%0.313SS..Hα-helixtrans-64.1-40.7172.9-179.10000110.7D117 K118 M119 Y239 M242V115-D117 VanDerWaalsContact C-N 3.28Å; V115-D117 PolarHBondContact O-N 2.88Å; V115-K118 PolarHBondContact O-N 2.89Å; V115-M119 WeakPolarHBondContact O-CB 3.43Å; V115-M119 PolarHBondContact O-N 3Å; V115-Y239 HydrophobicContact CG1-CD2 4.14Å; V115-Y239 HydrophobicContact CG1-CE2 4.14Å; V115-M242 HydrophobicContact CG1-CB 4.41Å; V115-M242 HydrophobicContact CG1-CE 4.47Å; V115-M242 HydrophobicContact CG1-SD 4.44Å
116F82.6Confident84.8Confident5 Ų560.7 Ų60.72%0.02232%0.317CS..Hα-helixtrans-63.3-32.8178.7-62.7-52.5000113.3C40 L44 G114 M119 R120 T228 F230 Y239C40-F116 WeakPolarHBondContact O-CE2 3.21Å; L44-F116 HydrophobicContact CB-CD1 4.38Å; L44-F116 HydrophobicContact CB-CE1 4.43Å; L44-F116 HydrophobicContact CD1-CB 3.65Å; L44-F116 HydrophobicContact CD1-CD1 3.59Å; L44-F116 HydrophobicContact CD1-CE1 4.44Å; L44-F116 HydrophobicContact CD1-CG 3.72Å; G114-F116 VanDerWaalsContact C-N 3.33Å; F116-M119 HydrophobicContact CD1-SD 4.43Å; F116-R120 VanDerWaalsContact O-CB 3.25Å; F116-R120 WeakPolarHBondContact O-CB 3.49Å; F116-R120 PolarHBondContact O-N 3.3Å; F116-T228 HydrophobicContact CE1-CG2 3.8Å; F116-T228 HydrophobicContact CZ-CG2 3.51Å; F116-F230 HydrophobicContact CD1-CE1 4.48Å; F116-F230 AromaticContact CE1-CE1 3.89Å; F116-F230 HydrophobicContact CE1-CE1 3.89Å; F116-F230 HydrophobicContact CE1-CZ 4.27Å; F116-Y239 HydrophobicContact CD1-CD2 4.33Å; F116-Y239 AromaticContact CE1-CD2 3.86Å; F116-Y239 HydrophobicContact CE1-CD2 3.86Å; F116-Y239 AromaticContact CE1-CE2 3.87Å; F116-Y239 HydrophobicContact CE1-CE2 3.87Å; F116-Y239 HydrophobicContact CZ-CE2 4.33Å
117D81.7Confident84.7Confident9 Ų959.2 Ų59.25%0.04830%0.303CS..Hα-helixtrans-69.7-43.6177.4-58-46000111.3I113 G114 V115 R120 E121I113-D117 HydrophobicContact CG2-CB 3.63Å; G114-D117 PolarHBondContact N-OD2 2.71Å; G114-D117 PolarHBondContact O-N 3.12Å; V115-D117 VanDerWaalsContact C-N 3.28Å; V115-D117 PolarHBondContact O-N 2.88Å; D117-R120 PolarHBondContact O-N 2.96Å; D117-R120 IonicContact OD1-CZ 3.99Å; D117-R120 IonicContact OD1-NH1 3.37Å; D117-R120 PolarHBondContact OD1-NH1 3.26Å; D117-E121 WeakPolarHBondContact O-CB 3.46Å; D117-E121 PolarHBondContact O-N 3.34Å
118K83.8Confident85.1Confident120 Ų12052.7 Ų52.752%0.52226%0.261SS..Hα-helixtrans-63.8-43.6175.1-67.8179.5178.7-177.40111.7I113 G114 V115 E121 N122 M242I113-K118 HydrophobicContact CG2-CG 4.48Å; G114-K118 PolarHBondContact O-N 2.96Å; V115-K118 PolarHBondContact O-N 2.89Å; K118-E121 PolarHBondContact O-N 3.47Å; K118-N122 VanDerWaalsContact O-CG 3.3Å; K118-N122 PolarHBondContact O-N 2.78Å; K118-M242 HydrophobicContact CB-CE 3.79Å; K118-M242 HydrophobicContact CD-CE 4.3Å
119M85.6Confident85.3Confident2 Ų248.4 Ų48.41%0.0124%0.24CC..Hα-helixtrans-61-47.7177.4179.3-163.3143.900111.3L44 V115 F116 E121 N122 M123 F230 Q235 E238 Y239 M242L44-M119 HydrophobicContact CD2-CE 4.46Å; V115-M119 WeakPolarHBondContact O-CB 3.43Å; V115-M119 PolarHBondContact O-N 3Å; F116-M119 HydrophobicContact CD1-SD 4.43Å; M119-E121 VanDerWaalsContact C-N 3.32Å; M119-E121 PolarHBondContact O-N 3.28Å; M119-N122 PolarHBondContact O-N 2.93Å; M119-M123 HydrophobicContact CE-SD 3.58Å; M119-M123 VanDerWaalsContact CE-SD 3.58Å; M119-M123 WeakPolarHBondContact O-CG 3.38Å; M119-M123 PolarHBondContact O-N 3.18Å; M119-F230 HydrophobicContact CE-CE1 4.48Å; M119-F230 HydrophobicContact SD-CE1 4.39Å; M119-Q235 VanDerWaalsContact CE-C 3.42Å; M119-Q235 HydrophobicContact CE-CB 3.58Å; M119-Q235 HydrophobicContact CE-CG 4.01Å; M119-Q235 WeakPolarHBondContact CE-O 3.44Å; M119-E238 HydrophobicContact CE-CB 4.23Å; M119-E238 HydrophobicContact CG-CB 3.95Å; M119-Y239 VanDerWaalsContact SD-CB 3.58Å; M119-Y239 HydrophobicContact SD-CD2 4.41Å; M119-Y239 HydrophobicContact SD-CG 4.49Å; M119-M242 HydrophobicContact CB-SD 3.92Å
120R83.4Confident85.1Confident33 Ų3350.3 Ų50.313%0.12525%0.248CC..Hα-helixtrans-56.8-46.5175.3179.9-162.6-74.41250.3111.2F116 D117 N122 M123 L124 E151F116-R120 VanDerWaalsContact O-CB 3.25Å; F116-R120 WeakPolarHBondContact O-CB 3.49Å; F116-R120 PolarHBondContact O-N 3.3Å; D117-R120 PolarHBondContact O-N 2.96Å; D117-R120 IonicContact OD1-CZ 3.99Å; D117-R120 IonicContact OD1-NH1 3.37Å; D117-R120 PolarHBondContact OD1-NH1 3.26Å; R120-N122 VanDerWaalsContact C-N 3.35Å; R120-N122 PolarHBondContact O-N 3.41Å; R120-M123 PolarHBondContact O-N 3.11Å; R120-L124 HydrophobicContact CG-CD1 4.25Å; R120-L124 VanDerWaalsContact O-CG 3.32Å; R120-L124 WeakPolarHBondContact O-CG 3.15Å; R120-L124 PolarHBondContact O-N 3.23Å; R120-E151 WeakPolarHBondContact CD-OE1 3.29Å; R120-E151 HydrophobicContact CG-CG 4.47Å; R120-E151 IonicContact NE-OE1 3.48Å; R120-E151 IonicContact NE-OE2 3.83Å
121E83.1Confident85Confident50 Ų5048.2 Ų48.223%0.23423%0.233CC..Hα-helixtrans-60.8-42.6178-175.6166.8169.400112M1 D117 K118 M119 L124 R125M1-E121 WeakPolarHBondContact CE-OE1 3.29Å; M1-E121 PolarHBondContact N-OE2 2.66Å; M1-E121 VanDerWaalsContact N-OE2 3.11Å; D117-E121 WeakPolarHBondContact O-CB 3.46Å; D117-E121 PolarHBondContact O-N 3.34Å; K118-E121 PolarHBondContact O-N 3.47Å; M119-E121 VanDerWaalsContact C-N 3.32Å; M119-E121 PolarHBondContact O-N 3.28Å; E121-L124 PolarHBondContact O-N 3.4Å; E121-R125 WeakPolarHBondContact O-CD 3.47Å; E121-R125 VanDerWaalsContact O-CG 3.23Å; E121-R125 WeakPolarHBondContact O-CG 3.46Å; E121-R125 PolarHBondContact O-N 2.81Å; E121-R125 VanDerWaalsContact O-N 3.16Å; E121-R125 IonicContact OE1-CZ 3.94Å; E121-R125 IonicContact OE1-NE 3.21Å; E121-R125 PolarHBondContact OE1-NE 3.24Å; E121-R125 IonicContact OE1-NH2 2.69Å; E121-R125 PolarHBondContact OE1-NH2 3.07Å
122N86.1Confident84.9Confident75 Ų7548.1 Ų48.140%0.40123%0.23SC..Hα-helixtrans-62.7-44.6175.4-69.9-11.4000112.2K118 M119 R120 L124 R125 E126K118-N122 VanDerWaalsContact O-CG 3.3Å; K118-N122 PolarHBondContact O-N 2.78Å; M119-N122 PolarHBondContact O-N 2.93Å; R120-N122 VanDerWaalsContact C-N 3.35Å; R120-N122 PolarHBondContact O-N 3.41Å; N122-L124 PolarHBondContact O-N 2.8Å; N122-R125 PolarHBondContact O-N 3.07Å; N122-E126 WeakPolarHBondContact O-CB 3.26Å; N122-E126 PolarHBondContact O-N 3.4Å
123M86.4Confident84.7Confident6 Ų648.7 Ų48.73%0.0324%0.238CC..Hα-helixtrans-60.4-43.8178.1-72.5-17485.400112.1M119 R120 R125 E126 Y127 I154 W234 Q235 E238M119-M123 HydrophobicContact CE-SD 3.58Å; M119-M123 VanDerWaalsContact CE-SD 3.58Å; M119-M123 WeakPolarHBondContact O-CG 3.38Å; M119-M123 PolarHBondContact O-N 3.18Å; R120-M123 PolarHBondContact O-N 3.11Å; M123-R125 PolarHBondContact O-N 2.85Å; M123-E126 PolarHBondContact O-N 3.02Å; M123-Y127 VanDerWaalsContact O-CB 3.29Å; M123-Y127 WeakPolarHBondContact O-CB 3.45Å; M123-Y127 PolarHBondContact O-N 2.98Å; M123-I154 HydrophobicContact CB-CD1 4.21Å; M123-I154 HydrophobicContact CE-CG2 3.52Å; M123-I154 HydrophobicContact SD-CG2 4.46Å; M123-W234 HydrophobicContact CE-CB 4.11Å; M123-W234 HydrophobicContact CE-CD2 3.45Å; M123-W234 VanDerWaalsContact CE-CD2 3.45Å; M123-W234 HydrophobicContact CE-CE3 3.94Å; M123-W234 HydrophobicContact CE-CG 3.53Å; M123-W234 HydrophobicContact CE-CZ2 4.37Å; M123-Q235 HydrophobicContact CE-CG 3.88Å; M123-Q235 HydrophobicContact SD-CB 4.5Å; M123-Q235 HydrophobicContact SD-CG 3.91Å; M123-E238 HydrophobicContact CE-CG 4.37Å; M123-E238 HydrophobicContact CG-CB 4.09Å; M123-E238 HydrophobicContact CG-CG 3.76Å; M123-E238 HydrophobicContact SD-CB 4.33Å; M123-E238 HydrophobicContact SD-CG 4.3Å
124L86.6Confident84.7Confident6 Ų643.7 Ų43.73%0.03121%0.212CC..Hα-helixtrans-59.8-46.8177.4-71.2169.7000111.4R120 E121 N122 Y127 V128 V143 A147 L150 E151 I154R120-L124 HydrophobicContact CG-CD1 4.25Å; R120-L124 VanDerWaalsContact O-CG 3.32Å; R120-L124 WeakPolarHBondContact O-CG 3.15Å; R120-L124 PolarHBondContact O-N 3.23Å; E121-L124 PolarHBondContact O-N 3.4Å; N122-L124 PolarHBondContact O-N 2.8Å; L124-Y127 PolarHBondContact O-N 2.77Å; L124-V128 WeakPolarHBondContact O-CB 3.18Å; L124-V128 VanDerWaalsContact O-CG2 3.29Å; L124-V128 WeakPolarHBondContact O-CG2 3.13Å; L124-V128 PolarHBondContact O-N 2.96Å; L124-V143 HydrophobicContact CB-CG1 4.15Å; L124-V143 HydrophobicContact CB-CG2 4.46Å; L124-V143 HydrophobicContact CD1-CG1 4.32Å; L124-A147 HydrophobicContact CD1-CB 4.06Å; L124-L150 HydrophobicContact CD2-CB 3.36Å; L124-L150 HydrophobicContact CD2-CD1 4.19Å; L124-L150 HydrophobicContact CD2-CG 4.43Å; L124-E151 HydrophobicContact CD2-CG 4.07Å; L124-I154 HydrophobicContact CD2-CD1 3.75Å; L124-I154 HydrophobicContact CG-CD1 4.29Å
125R88.3Confident84.8Confident50 Ų5048.8 Ų48.819%0.18923%0.234CC..Hα-helixtrans-63.2-46.3179.1-68.5169179.9-65.4-2.6111.9E121 N122 M123 V128 K129 M139 E140 V143E121-R125 WeakPolarHBondContact O-CD 3.47Å; E121-R125 VanDerWaalsContact O-CG 3.23Å; E121-R125 WeakPolarHBondContact O-CG 3.46Å; E121-R125 PolarHBondContact O-N 2.81Å; E121-R125 VanDerWaalsContact O-N 3.16Å; E121-R125 IonicContact OE1-CZ 3.94Å; E121-R125 IonicContact OE1-NE 3.21Å; E121-R125 PolarHBondContact OE1-NE 3.24Å; E121-R125 IonicContact OE1-NH2 2.69Å; E121-R125 PolarHBondContact OE1-NH2 3.07Å; N122-R125 PolarHBondContact O-N 3.07Å; M123-R125 PolarHBondContact O-N 2.85Å; R125-V128 PolarHBondContact O-N 3.22Å; R125-K129 VanDerWaalsContact O-CB 3.29Å; R125-K129 WeakPolarHBondContact O-CB 2.87Å; R125-K129 PolarHBondContact O-N 3.21Å; R125-M139 HydrophobicContact CB-SD 3.86Å; R125-M139 HydrophobicContact CG-SD 4.07Å; R125-E140 IonicContact CZ-OE1 2.73Å; R125-E140 IonicContact CZ-OE2 2.9Å; R125-E140 IonicContact NH1-OE1 2.92Å; R125-E140 PolarHBondContact NH1-OE1 3Å; R125-E140 IonicContact NH1-OE2 3.59Å; R125-E140 PolarHBondContact NH1-OE2 3.25Å; R125-E140 IonicContact NH2-OE1 3.55Å; R125-E140 IonicContact NH2-OE2 3.34Å; R125-E140 PolarHBondContact NH2-OE2 3.4Å; R125-V143 HydrophobicContact CG-CG2 4.36Å
126E85.6Confident85Confident58 Ų5848.4 Ų48.427%0.27124%0.242SC..Hα-helixtrans-65.2-43179.4-174.1168.9-164.300111.4N122 M123 V128 K129 Q130N122-E126 WeakPolarHBondContact O-CB 3.26Å; N122-E126 PolarHBondContact O-N 3.4Å; M123-E126 PolarHBondContact O-N 3.02Å; E126-V128 PolarHBondContact O-N 2.78Å; E126-K129 PolarHBondContact O-N 3.46Å; E126-Q130 HydrophobicContact CG-CG 4.38Å; E126-Q130 VanDerWaalsContact CG-NE2 3.33Å; E126-Q130 WeakPolarHBondContact O-CB 3.48Å; E126-Q130 VanDerWaalsContact O-CG 3.31Å; E126-Q130 WeakPolarHBondContact O-CG 3.17Å; E126-Q130 PolarHBondContact O-N 3.16Å; E126-Q130 PolarHBondContact OE1-NE2 2.75Å; E126-Q130 VanDerWaalsContact OE1-NE2 3.09Å
127Y85.8Confident85.1Confident29 Ų2954.4 Ų54.411%0.11427%0.27CS..Hα-helixtrans-60.7-46.3175.9-172.6-95000111.7M123 L124 Q130 T131 W132 L150 L153 I154 T157 W234M123-Y127 VanDerWaalsContact O-CB 3.29Å; M123-Y127 WeakPolarHBondContact O-CB 3.45Å; M123-Y127 PolarHBondContact O-N 2.98Å; L124-Y127 PolarHBondContact O-N 2.77Å; Y127-Q130 PolarHBondContact O-N 2.97Å; Y127-T131 VanDerWaalsContact O-CB 3.26Å; Y127-T131 WeakPolarHBondContact O-CB 3.47Å; Y127-T131 PolarHBondContact O-N 3.04Å; Y127-T131 PolarHBondContact O-OG1 3.31Å; Y127-W132 AromaticContact CD1-CZ3 3.99Å; Y127-W132 HydrophobicContact CD1-CZ3 3.99Å; Y127-W132 AromaticContact CE1-CH2 3.94Å; Y127-W132 HydrophobicContact CE1-CH2 3.94Å; Y127-W132 AromaticContact CE1-CZ3 3.82Å; Y127-W132 HydrophobicContact CE1-CZ3 3.82Å; Y127-L150 HydrophobicContact CD1-CD2 3.85Å; Y127-L150 HydrophobicContact CE1-CD2 4.02Å; Y127-L153 HydrophobicContact CE1-CB 4.22Å; Y127-L153 HydrophobicContact CE1-CD1 4.22Å; Y127-I154 HydrophobicContact CD1-CG1 4.43Å; Y127-I154 HydrophobicContact CD2-CG1 3.89Å; Y127-I154 HydrophobicContact CE2-CG1 4.5Å; Y127-I154 HydrophobicContact CG-CD1 4.28Å; Y127-I154 HydrophobicContact CG-CG1 3.83Å; Y127-T157 WeakPolarHBondContact CE2-OG1 3.25Å; Y127-W234 AromaticContact CD2-CH2 3.66Å; Y127-W234 HydrophobicContact CD2-CH2 3.66Å; Y127-W234 AromaticContact CD2-CZ3 3.76Å; Y127-W234 HydrophobicContact CD2-CZ3 3.76Å; Y127-W234 HydrophobicContact CE2-CZ3 4.48Å; Y127-W234 HydrophobicContact CG-CH2 4.26Å
128V85.9Confident85.3Confident0 Ų055.1 Ų55.10%028%0.277CS..Hα-helixtrans-63.5-43.5178.21700000111.1L124 R125 E126 W132 L134 M139 A142 V143 L150L124-V128 WeakPolarHBondContact O-CB 3.18Å; L124-V128 VanDerWaalsContact O-CG2 3.29Å; L124-V128 WeakPolarHBondContact O-CG2 3.13Å; L124-V128 PolarHBondContact O-N 2.96Å; R125-V128 PolarHBondContact O-N 3.22Å; E126-V128 PolarHBondContact O-N 2.78Å; V128-W132 HydrophobicContact CB-CE3 4.44Å; V128-W132 HydrophobicContact CG1-CE3 4.39Å; V128-W132 HydrophobicContact CG2-CE3 4.41Å; V128-W132 HydrophobicContact CG2-CZ3 4.27Å; V128-W132 PolarHBondContact O-N 3.26Å; V128-L134 HydrophobicContact CG1-CB 4.11Å; V128-L134 HydrophobicContact CG1-CD1 4.06Å; V128-M139 HydrophobicContact CB-CG 4.42Å; V128-M139 HydrophobicContact CG1-CG 3.94Å; V128-A142 HydrophobicContact CG1-CB 4.07Å; V128-V143 HydrophobicContact CB-CG2 4.49Å; V128-V143 HydrophobicContact CG2-CG2 4.03Å; V128-L150 HydrophobicContact CG2-CD1 3.55Å; V128-L150 HydrophobicContact CG2-CD2 3.95Å; V128-L150 HydrophobicContact CG2-CG 4.42Å
129K86.5Confident85.5Confident94 Ų9450.4 Ų50.441%0.40926%0.257SS..Hα-helixtrans-59.3-47.8176.6-171.9172.2179.7155.60111.8R125 E126 N133 E135 M139R125-K129 VanDerWaalsContact O-CB 3.29Å; R125-K129 WeakPolarHBondContact O-CB 2.87Å; R125-K129 PolarHBondContact O-N 3.21Å; E126-K129 PolarHBondContact O-N 3.46Å; K129-N133 WeakPolarHBondContact O-CA 3.43Å; K129-N133 PolarHBondContact O-N 2.81Å; K129-E135 WeakPolarHBondContact CE-OE1 3.27Å; K129-E135 IonicContact NZ-OE1 3.56Å; K129-E135 PolarHBondContact NZ-OE1 3.07Å; K129-M139 HydrophobicContact CB-CE 3.66Å; K129-M139 HydrophobicContact CD-CE 4.24Å; K129-M139 HydrophobicContact CG-CE 4.11Å
130Q82.2Confident85.5Confident109 Ų10953.2 Ų53.251%0.50927%0.27SS..Hα-helixtrans-72-37-176.7-70.5178.99.100112.5E126 Y127E126-Q130 HydrophobicContact CG-CG 4.38Å; E126-Q130 VanDerWaalsContact CG-NE2 3.33Å; E126-Q130 WeakPolarHBondContact O-CB 3.48Å; E126-Q130 VanDerWaalsContact O-CG 3.31Å; E126-Q130 WeakPolarHBondContact O-CG 3.17Å; E126-Q130 PolarHBondContact O-N 3.16Å; E126-Q130 PolarHBondContact OE1-NE2 2.75Å; E126-Q130 VanDerWaalsContact OE1-NE2 3.09Å; Y127-Q130 PolarHBondContact O-N 2.97Å
131T83.3Confident85.7Confident61 Ų6153 Ų5337%0.37427%0.271SS..Hα-helixtrans-81.6-40.5-173.7-52.50000112.6Y127Y127-T131 VanDerWaalsContact O-CB 3.26Å; Y127-T131 WeakPolarHBondContact O-CB 3.47Å; Y127-T131 PolarHBondContact O-N 3.04Å; Y127-T131 PolarHBondContact O-OG1 3.31Å
132W83.9Confident85.9Confident26 Ų2650.7 Ų50.710%0.09826%0.26CS..Hα-helixtrans-120.13.1-174.7-63.4-83.3000114.1Y127 V128 L134 L150 L315 M317 D318Y127-W132 AromaticContact CD1-CZ3 3.99Å; Y127-W132 HydrophobicContact CD1-CZ3 3.99Å; Y127-W132 AromaticContact CE1-CH2 3.94Å; Y127-W132 HydrophobicContact CE1-CH2 3.94Å; Y127-W132 AromaticContact CE1-CZ3 3.82Å; Y127-W132 HydrophobicContact CE1-CZ3 3.82Å; V128-W132 HydrophobicContact CB-CE3 4.44Å; V128-W132 HydrophobicContact CG1-CE3 4.39Å; V128-W132 HydrophobicContact CG2-CE3 4.41Å; V128-W132 HydrophobicContact CG2-CZ3 4.27Å; V128-W132 PolarHBondContact O-N 3.26Å; W132-L134 HydrophobicContact CB-CD1 3.82Å; W132-L134 HydrophobicContact CB-CG 3.82Å; W132-L134 PolarHBondContact O-N 2.78Å; W132-L150 HydrophobicContact CH2-CD2 3.93Å; W132-L150 HydrophobicContact CZ3-CD2 3.76Å; W132-L315 HydrophobicContact CH2-CD1 3.9Å; W132-L315 HydrophobicContact CZ2-CD1 4.03Å; W132-M317 HydrophobicContact CD2-CB 3.67Å; W132-M317 HydrophobicContact CD2-CG 4.38Å; W132-M317 HydrophobicContact CE3-CB 4.34Å; W132-M317 HydrophobicContact CG-CB 3.82Å; W132-M317 HydrophobicContact CZ2-CB 4.05Å; W132-M317 PolarHBondContact NE1-O 2.95Å; W132-D318 PolarHBondContact NE1-OD1 2.83Å
133N84.3Confident85.9Confident114 Ų11447.2 Ų47.261%0.6124%0.242SC*.  trans51.939.7-178.9-166.751.4000113.5K129K129-N133 WeakPolarHBondContact O-CA 3.43Å; K129-N133 PolarHBondContact O-N 2.81Å
134L85.2Confident85.8Confident5 Ų547.9 Ų47.93%0.02625%0.245CC..  trans-95144.6-179.9-62.9175000111.1V128 W132 A138 M139 A142 M317 N323V128-L134 HydrophobicContact CG1-CB 4.11Å; V128-L134 HydrophobicContact CG1-CD1 4.06Å; W132-L134 HydrophobicContact CB-CD1 3.82Å; W132-L134 HydrophobicContact CB-CG 3.82Å; W132-L134 PolarHBondContact O-N 2.78Å; L134-A138 HydrophobicContact CD2-CB 4.41Å; L134-M139 HydrophobicContact CB-CB 4.26Å; L134-M139 WeakPolarHBondContact O-CE 3.47Å; L134-A142 HydrophobicContact CD1-CB 4.39Å; L134-M317 HydrophobicContact CD1-CE 2.99Å; L134-M317 HydrophobicContact CG-CE 4.44Å; L134-N323 HydrophobicContact CD2-CB 3.59Å; L134-N323 WeakPolarHBondContact CD2-ND2 3.24Å
135E86.4Confident85.8Confident114 Ų11447.6 Ų47.653%0.53324%0.243SC..  trans-141.1168.7176.4-61.8-166.9155.300110.7K129K129-E135 WeakPolarHBondContact CE-OE1 3.27Å; K129-E135 IonicContact NZ-OE1 3.56Å; K129-E135 PolarHBondContact NZ-OE1 3.07Å
136G87.3Confident85.7Confident51 Ų5145.3 Ų45.353%0.52624%0.235SC..Hα-helixtrans59.4-144.9177.700000113.7A138 M139 E140G136-A138 VanDerWaalsContact C-N 3.27Å; G136-A138 PolarHBondContact O-N 3.43Å; G136-M139 WeakPolarHBondContact O-CB 3.45Å; G136-M139 PolarHBondContact O-N 2.94Å; G136-M139 VanDerWaalsContact O-N 3.12Å; G136-E140 PolarHBondContact O-N 2.79Å; G136-E140 VanDerWaalsContact O-N 3.15Å
137E84.9Confident85.6Confident131 Ų13142.6 Ų42.661%0.61222%0.222SC*.Hα-helixtrans-59.7-34.3-176.9-69-170.6170.300113.1M139 E140 Q141E137-M139 VanDerWaalsContact C-N 3.3Å; E137-M139 PolarHBondContact O-N 2.78Å; E137-E140 PolarHBondContact O-N 2.95Å; E137-E140 VanDerWaalsContact O-N 3.15Å; E137-Q141 VanDerWaalsContact O-CG 3.26Å; E137-Q141 WeakPolarHBondContact O-CG 3.48Å; E137-Q141 PolarHBondContact O-N 3.41Å
138A85.8Confident85.3Confident24 Ų2441.3 Ų41.320%0.19822%0.218CC..Hα-helixtrans-62.2-39.3177.900000111.8L134 G136 A142L134-A138 HydrophobicContact CD2-CB 4.41Å; G136-A138 VanDerWaalsContact C-N 3.27Å; G136-A138 PolarHBondContact O-N 3.43Å; A138-A142 WeakPolarHBondContact O-CB 3.47Å; A138-A142 PolarHBondContact O-N 3.15Å; A138-A142 VanDerWaalsContact O-N 3.1Å
139M88Confident85.2Confident20 Ų2043.1 Ų43.110%0.09923%0.226CC..Hα-helixtrans-64.9-45.9172.2-176.9-163.5-73.200110.9R125 V128 K129 L134 G136 E137 Q141 A142 V143R125-M139 HydrophobicContact CB-SD 3.86Å; R125-M139 HydrophobicContact CG-SD 4.07Å; V128-M139 HydrophobicContact CB-CG 4.42Å; V128-M139 HydrophobicContact CG1-CG 3.94Å; K129-M139 HydrophobicContact CB-CE 3.66Å; K129-M139 HydrophobicContact CD-CE 4.24Å; K129-M139 HydrophobicContact CG-CE 4.11Å; L134-M139 HydrophobicContact CB-CB 4.26Å; L134-M139 WeakPolarHBondContact O-CE 3.47Å; G136-M139 WeakPolarHBondContact O-CB 3.45Å; G136-M139 PolarHBondContact O-N 2.94Å; G136-M139 VanDerWaalsContact O-N 3.12Å; E137-M139 VanDerWaalsContact C-N 3.3Å; E137-M139 PolarHBondContact O-N 2.78Å; M139-Q141 VanDerWaalsContact C-N 3.34Å; M139-Q141 PolarHBondContact O-N 3.08Å; M139-A142 WeakPolarHBondContact O-CB 3.33Å; M139-A142 PolarHBondContact O-N 3.4Å; M139-V143 HydrophobicContact CG-CG2 4.3Å; M139-V143 WeakPolarHBondContact O-CG2 3.39Å; M139-V143 PolarHBondContact O-N 3.43Å
140E87.3Confident85Confident61 Ų6138.7 Ų38.729%0.28521%0.207SC..Hα-helixtrans-58.5-46.3179.2-60.9-56.4148.900111.8R125 G136 E137 A142 V143 I144R125-E140 IonicContact CZ-OE1 2.73Å; R125-E140 IonicContact CZ-OE2 2.9Å; R125-E140 IonicContact NH1-OE1 2.92Å; R125-E140 PolarHBondContact NH1-OE1 3Å; R125-E140 IonicContact NH1-OE2 3.59Å; R125-E140 PolarHBondContact NH1-OE2 3.25Å; R125-E140 IonicContact NH2-OE1 3.55Å; R125-E140 IonicContact NH2-OE2 3.34Å; R125-E140 PolarHBondContact NH2-OE2 3.4Å; G136-E140 PolarHBondContact O-N 2.79Å; G136-E140 VanDerWaalsContact O-N 3.15Å; E137-E140 PolarHBondContact O-N 2.95Å; E137-E140 VanDerWaalsContact O-N 3.15Å; E140-A142 VanDerWaalsContact C-N 3.31Å; E140-A142 PolarHBondContact O-N 3.04Å; E140-V143 PolarHBondContact O-N 3.34Å; E140-I144 WeakPolarHBondContact O-CB 3.29Å; E140-I144 WeakPolarHBondContact O-CD1 3.2Å; E140-I144 WeakPolarHBondContact O-CG1 3.46Å; E140-I144 PolarHBondContact O-N 3.2Å
141Q86.5Confident85Confident30 Ų3035.8 Ų35.814%0.1419%0.193CC..Hα-helixtrans-64.1-38.3179.4-64.6-61.2-60.700111.5E137 M139 S145 F322 N399 P400 F401 M451E137-Q141 VanDerWaalsContact O-CG 3.26Å; E137-Q141 WeakPolarHBondContact O-CG 3.48Å; E137-Q141 PolarHBondContact O-N 3.41Å; M139-Q141 VanDerWaalsContact C-N 3.34Å; M139-Q141 PolarHBondContact O-N 3.08Å; Q141-S145 WeakPolarHBondContact O-CB 3.32Å; Q141-S145 PolarHBondContact O-N 2.82Å; Q141-F322 HydrophobicContact CB-CZ 4.46Å; Q141-N399 PolarHBondContact OE1-ND2 2.78Å; Q141-P400 HydrophobicContact CB-CG 3.76Å; Q141-P400 HydrophobicContact CG-CG 4.14Å; Q141-F401 HydrophobicContact CB-CE2 4.19Å; Q141-M451 HydrophobicContact CB-CE 4.39Å; Q141-M451 VanDerWaalsContact OE1-CE 3.22Å
142A87.3Confident84.9Confident0 Ų037.8 Ų37.80%020%0.197CC..Hα-helixtrans-61.7-50174.600000111.6V128 L134 A138 M139 E140 S145 Q146 M317 F322V128-A142 HydrophobicContact CG1-CB 4.07Å; L134-A142 HydrophobicContact CD1-CB 4.39Å; A138-A142 WeakPolarHBondContact O-CB 3.47Å; A138-A142 PolarHBondContact O-N 3.15Å; A138-A142 VanDerWaalsContact O-N 3.1Å; M139-A142 WeakPolarHBondContact O-CB 3.33Å; M139-A142 PolarHBondContact O-N 3.4Å; E140-A142 VanDerWaalsContact C-N 3.31Å; E140-A142 PolarHBondContact O-N 3.04Å; A142-S145 PolarHBondContact O-N 2.85Å; A142-Q146 WeakPolarHBondContact O-CB 3.42Å; A142-Q146 PolarHBondContact O-N 3.42Å; A142-M317 HydrophobicContact CB-CE 3.41Å; A142-M317 VanDerWaalsContact CB-CE 3.41Å; A142-M317 HydrophobicContact CB-CG 4.27Å; A142-M317 HydrophobicContact CB-SD 3.46Å; A142-M317 WeakPolarHBondContact CB-SD 3.24Å; A142-F322 HydrophobicContact CB-CE1 4.31Å; A142-F322 HydrophobicContact CB-CZ 4.19Å
143V86.4Confident84.8Confident3 Ų338.6 Ų38.62%0.01820%0.203CC..Hα-helixtrans-63-46.2180172.30000110.5L124 R125 V128 M139 E140 S145 A147L124-V143 HydrophobicContact CB-CG1 4.15Å; L124-V143 HydrophobicContact CB-CG2 4.46Å; L124-V143 HydrophobicContact CD1-CG1 4.32Å; R125-V143 HydrophobicContact CG-CG2 4.36Å; V128-V143 HydrophobicContact CB-CG2 4.49Å; V128-V143 HydrophobicContact CG2-CG2 4.03Å; M139-V143 HydrophobicContact CG-CG2 4.3Å; M139-V143 WeakPolarHBondContact O-CG2 3.39Å; M139-V143 PolarHBondContact O-N 3.43Å; E140-V143 PolarHBondContact O-N 3.34Å; V143-S145 PolarHBondContact O-N 3.35Å; V143-A147 WeakPolarHBondContact O-CA 3.27Å; V143-A147 VanDerWaalsContact O-CB 3.23Å; V143-A147 WeakPolarHBondContact O-CB 3.41Å; V143-A147 PolarHBondContact O-N 3.45Å
144I84.7Confident84.7Confident19 Ų1933.5 Ų33.510%0.09718%0.176CC..Hα-helixtrans-63.5-41.8179.4-68.5163.8000111.5M1 E140 H447 M451 Y602M1-I144 HydrophobicContact CE-CG1 4.45Å; M1-I144 HydrophobicContact SD-CD1 4.22Å; M1-I144 HydrophobicContact SD-CG1 3.43Å; M1-I144 WeakPolarHBondContact SD-CG1 3.5Å; E140-I144 WeakPolarHBondContact O-CB 3.29Å; E140-I144 WeakPolarHBondContact O-CD1 3.2Å; E140-I144 WeakPolarHBondContact O-CG1 3.46Å; E140-I144 PolarHBondContact O-N 3.2Å; I144-H447 PolarHBondContact O-CE1 2.86Å; I144-M451 HydrophobicContact CB-CE 3.69Å; I144-M451 HydrophobicContact CG2-CE 3.46Å; I144-M451 VanDerWaalsContact CG2-CE 3.46Å; I144-M451 HydrophobicContact CG2-SD 3.91Å; I144-Y602 WeakPolarHBondContact CA-OH 3.25Å; I144-Y602 WeakPolarHBondContact O-CE1 3.38Å; I144-Y602 PolarHBondContact O-OH 2.99Å
145S85.4Confident84.2Confident0 Ų035.7 Ų35.70%019%0.194CC..Hα-helixtrans-75-37-177177.40000112.5Q141 A142 V143 F401 H601Q141-S145 WeakPolarHBondContact O-CB 3.32Å; Q141-S145 PolarHBondContact O-N 2.82Å; A142-S145 PolarHBondContact O-N 2.85Å; V143-S145 PolarHBondContact O-N 3.35Å; S145-F401 VanDerWaalsContact CB-CZ 3.49Å; S145-H601 PolarHBondContact O-CE1 3Å
146Q86.1Confident83.8Confident2 Ų235.5 Ų35.51%0.00920%0.201CC..Hα-helixtrans-117.710.4-165.5-57.9-59.6-56.700114.1A142 P148 Q149 L150 P316A142-Q146 WeakPolarHBondContact O-CB 3.42Å; A142-Q146 PolarHBondContact O-N 3.42Å; Q146-P148 VanDerWaalsContact C-CD 3.48Å; Q146-P148 VanDerWaalsContact C-N 3.35Å; Q146-Q149 PolarHBondContact O-N 3.41Å; Q146-Q149 VanDerWaalsContact O-N 3.08Å; Q146-Q149 PolarHBondContact O-OE1 3.22Å; Q146-L150 HydrophobicContact CB-CD1 4.04Å; Q146-L150 HydrophobicContact CB-CG 4.04Å; Q146-L150 WeakPolarHBondContact O-CB 3.3Å; Q146-L150 VanDerWaalsContact O-CG 3.25Å; Q146-L150 WeakPolarHBondContact O-CG 3.44Å; Q146-L150 PolarHBondContact O-N 3.49Å; Q146-P316 HydrophobicContact CG-CG 4.3Å
147A83.9Confident83.3Confident1 Ų134.3 Ų34.31%0.00818%0.183CC..Hα-helixtrans-48.2-47.3-177.500000113.9V3 L124 V143 Q149 L150 E151 Y602V3-A147 HydrophobicContact CG1-CB 4.48Å; V3-A147 HydrophobicContact CG2-CB 3.94Å; L124-A147 HydrophobicContact CD1-CB 4.06Å; V143-A147 WeakPolarHBondContact O-CA 3.27Å; V143-A147 VanDerWaalsContact O-CB 3.23Å; V143-A147 WeakPolarHBondContact O-CB 3.41Å; V143-A147 PolarHBondContact O-N 3.45Å; A147-Q149 PolarHBondContact O-N 3.48Å; A147-L150 PolarHBondContact O-N 3.11Å; A147-E151 WeakPolarHBondContact O-CG 3.26Å; A147-E151 PolarHBondContact O-N 3.32Å; A147-Y602 HydrophobicContact CB-CE1 4.2Å
148P80.7Confident82.7Confident3 Ų329.7 Ų29.72%0.01917%0.168CC..Hα-helixtrans-61.7-39.4180-2334.6000113.8V3 Q146 K152 Y602 S605V3-P148 HydrophobicContact CG1-CG 4.3Å; Q146-P148 VanDerWaalsContact C-CD 3.48Å; Q146-P148 VanDerWaalsContact C-N 3.35Å; P148-K152 WeakPolarHBondContact O-CG 3.29Å; P148-K152 PolarHBondContact O-N 3.25Å; P148-Y602 HydrophobicContact CG-CD1 3.58Å; P148-Y602 HydrophobicContact CG-CE1 4.05Å; P148-Y602 HydrophobicContact CG-CG 4.31Å; P148-S605 VanDerWaalsContact CB-CB 3.49Å
149Q82.2Confident82.4Confident37 Ų3730.4 Ų30.417%0.17317%0.167CC..Hα-helixtrans-71.6-42.9178.1-65.978.6-200110.7Q146 A147 E151 K152 L153 L315Q146-Q149 PolarHBondContact O-N 3.41Å; Q146-Q149 VanDerWaalsContact O-N 3.08Å; Q146-Q149 PolarHBondContact O-OE1 3.22Å; A147-Q149 PolarHBondContact O-N 3.48Å; Q149-E151 VanDerWaalsContact C-N 3.32Å; Q149-E151 PolarHBondContact O-N 2.92Å; Q149-K152 WeakPolarHBondContact O-CB 3.45Å; Q149-K152 PolarHBondContact O-N 3.4Å; Q149-L153 WeakPolarHBondContact O-CG 3.47Å; Q149-L153 PolarHBondContact O-N 3.02Å; Q149-L315 HydrophobicContact CB-CD2 4.05Å; Q149-L315 HydrophobicContact CG-CD2 4.24Å
150L84.1Confident82.2Confident1 Ų134.4 Ų34.41%0.00519%0.185CC..Hα-helixtrans-62.2-38.7176.4-67.7170.2000111.5L124 Y127 V128 W132 Q146 A147 K152 L153 I154L124-L150 HydrophobicContact CD2-CB 3.36Å; L124-L150 HydrophobicContact CD2-CD1 4.19Å; L124-L150 HydrophobicContact CD2-CG 4.43Å; Y127-L150 HydrophobicContact CD1-CD2 3.85Å; Y127-L150 HydrophobicContact CE1-CD2 4.02Å; V128-L150 HydrophobicContact CG2-CD1 3.55Å; V128-L150 HydrophobicContact CG2-CD2 3.95Å; V128-L150 HydrophobicContact CG2-CG 4.42Å; W132-L150 HydrophobicContact CH2-CD2 3.93Å; W132-L150 HydrophobicContact CZ3-CD2 3.76Å; Q146-L150 HydrophobicContact CB-CD1 4.04Å; Q146-L150 HydrophobicContact CB-CG 4.04Å; Q146-L150 WeakPolarHBondContact O-CB 3.3Å; Q146-L150 VanDerWaalsContact O-CG 3.25Å; Q146-L150 WeakPolarHBondContact O-CG 3.44Å; Q146-L150 PolarHBondContact O-N 3.49Å; A147-L150 PolarHBondContact O-N 3.11Å; L150-K152 PolarHBondContact O-N 3.39Å; L150-L153 PolarHBondContact O-N 2.99Å; L150-I154 WeakPolarHBondContact O-CB 3.31Å; L150-I154 VanDerWaalsContact O-CG1 3.26Å; L150-I154 WeakPolarHBondContact O-CG1 3.42Å; L150-I154 PolarHBondContact O-N 3.18Å
151E82.1Confident81.8Confident48 Ų4837.8 Ų37.822%0.22420%0.201CC..Hα-helixtrans-61.7-41.5173.9-77.3-175.7-147.200112.4V3 R120 L124 A147 Q149 L153 I154 A155V3-E151 WeakPolarHBondContact CB-OE1 3.44Å; V3-E151 WeakPolarHBondContact CG1-OE1 3.45Å; V3-E151 WeakPolarHBondContact CG2-OE1 3.49Å; R120-E151 WeakPolarHBondContact CD-OE1 3.29Å; R120-E151 HydrophobicContact CG-CG 4.47Å; R120-E151 IonicContact NE-OE1 3.48Å; R120-E151 IonicContact NE-OE2 3.83Å; L124-E151 HydrophobicContact CD2-CG 4.07Å; A147-E151 WeakPolarHBondContact O-CG 3.26Å; A147-E151 PolarHBondContact O-N 3.32Å; Q149-E151 VanDerWaalsContact C-N 3.32Å; Q149-E151 PolarHBondContact O-N 2.92Å; E151-L153 VanDerWaalsContact C-N 3.32Å; E151-L153 PolarHBondContact O-N 3.27Å; E151-I154 PolarHBondContact O-N 2.86Å; E151-A155 VanDerWaalsContact O-CB 3.3Å; E151-A155 WeakPolarHBondContact O-CB 3.48Å; E151-A155 PolarHBondContact O-N 3.15Å
152K80.1Confident81.7Confident104 Ų10436.7 Ų36.745%0.45220%0.196SC..Hα-helixtrans-63.4-38.9175-69.4170.9-175.5170.90111.3P148 Q149 L150 T156 S605P148-K152 WeakPolarHBondContact O-CG 3.29Å; P148-K152 PolarHBondContact O-N 3.25Å; Q149-K152 WeakPolarHBondContact O-CB 3.45Å; Q149-K152 PolarHBondContact O-N 3.4Å; L150-K152 PolarHBondContact O-N 3.39Å; K152-T156 WeakPolarHBondContact O-CG2 3.48Å; K152-T156 PolarHBondContact O-N 3.14Å; K152-T156 PolarHBondContact O-OG1 3.04Å; K152-S605 WeakPolarHBondContact CE-O 3.47Å; K152-S605 PolarHBondContact NZ-O 2.67Å
153L81.8Confident81.7Confident43 Ų4338.2 Ų38.223%0.22521%0.206CC..Hα-helixtrans-68.1-45.1175.8-70.9173.5000112Y127 Q149 L150 E151 A155 T156 T157 L315Y127-L153 HydrophobicContact CE1-CB 4.22Å; Y127-L153 HydrophobicContact CE1-CD1 4.22Å; Q149-L153 WeakPolarHBondContact O-CG 3.47Å; Q149-L153 PolarHBondContact O-N 3.02Å; L150-L153 PolarHBondContact O-N 2.99Å; E151-L153 VanDerWaalsContact C-N 3.32Å; E151-L153 PolarHBondContact O-N 3.27Å; L153-A155 VanDerWaalsContact C-N 3.31Å; L153-A155 PolarHBondContact O-N 3.19Å; L153-T156 WeakPolarHBondContact CA-OG1 3.46Å; L153-T156 CarbonylContact O-C 3.58Å; L153-T156 PolarHBondContact O-N 3.37Å; L153-T156 VanDerWaalsContact O-N 3.1Å; L153-T156 PolarHBondContact O-OG1 3.36Å; L153-T157 PolarHBondContact O-N 2.94Å; L153-T157 PolarHBondContact O-OG1 3.47Å; L153-L315 HydrophobicContact CD1-CD1 3.77Å
154I82.1Confident81.9Confident7 Ų738.4 Ų38.44%0.03621%0.206CC..Hα-helixtrans-61.6-41.5177.1-71.1165.9000110.7M123 L124 Y127 L150 E151 T156 T157 W234M123-I154 HydrophobicContact CB-CD1 4.21Å; M123-I154 HydrophobicContact CE-CG2 3.52Å; M123-I154 HydrophobicContact SD-CG2 4.46Å; L124-I154 HydrophobicContact CD2-CD1 3.75Å; L124-I154 HydrophobicContact CG-CD1 4.29Å; Y127-I154 HydrophobicContact CD1-CG1 4.43Å; Y127-I154 HydrophobicContact CD2-CG1 3.89Å; Y127-I154 HydrophobicContact CE2-CG1 4.5Å; Y127-I154 HydrophobicContact CG-CD1 4.28Å; Y127-I154 HydrophobicContact CG-CG1 3.83Å; L150-I154 WeakPolarHBondContact O-CB 3.31Å; L150-I154 VanDerWaalsContact O-CG1 3.26Å; L150-I154 WeakPolarHBondContact O-CG1 3.42Å; L150-I154 PolarHBondContact O-N 3.18Å; E151-I154 PolarHBondContact O-N 2.86Å; I154-T156 PolarHBondContact O-N 3.4Å; I154-T157 WeakPolarHBondContact O-CB 3.44Å; I154-T157 PolarHBondContact O-N 2.81Å; I154-W234 HydrophobicContact CB-CZ3 4.31Å; I154-W234 HydrophobicContact CG1-CH2 4.3Å; I154-W234 HydrophobicContact CG1-CZ3 3.98Å; I154-W234 HydrophobicContact CG2-CE3 3.94Å; I154-W234 HydrophobicContact CG2-CZ3 3.91Å
155A75.9Confident82.4Confident50 Ų5038.4 Ų38.441%0.41321%0.206SC..Hα-helixtrans-64.8-25.1177.200000113.2E151 L153 T232E151-A155 VanDerWaalsContact O-CB 3.3Å; E151-A155 WeakPolarHBondContact O-CB 3.48Å; E151-A155 PolarHBondContact O-N 3.15Å; L153-A155 VanDerWaalsContact C-N 3.31Å; L153-A155 PolarHBondContact O-N 3.19Å; A155-T232 WeakPolarHBondContact O-CG2 3.23Å
156T77.3Confident82.7Confident110 Ų11039 Ų3968%0.67521%0.208SC*.Hα-helixtrans-101.1-1.8177.352.70000113.3K152 L153 I154 A158K152-T156 WeakPolarHBondContact O-CG2 3.48Å; K152-T156 PolarHBondContact O-N 3.14Å; K152-T156 PolarHBondContact O-OG1 3.04Å; L153-T156 WeakPolarHBondContact CA-OG1 3.46Å; L153-T156 CarbonylContact O-C 3.58Å; L153-T156 PolarHBondContact O-N 3.37Å; L153-T156 VanDerWaalsContact O-N 3.1Å; L153-T156 PolarHBondContact O-OG1 3.36Å; I154-T156 PolarHBondContact O-N 3.4Å; T156-A158 PolarHBondContact O-N 3.04Å
157T76.2Confident82.9Confident26 Ų2639.6 Ų39.616%0.1622%0.215CC..  trans-70.2123.6-179.8-62.50000110Y127 L153 I154 H159 W234Y127-T157 WeakPolarHBondContact CE2-OG1 3.25Å; L153-T157 PolarHBondContact O-N 2.94Å; L153-T157 PolarHBondContact O-OG1 3.47Å; I154-T157 WeakPolarHBondContact O-CB 3.44Å; I154-T157 PolarHBondContact O-N 2.81Å; T157-H159 PolarHBondContact O-N 3.28Å; T157-W234 HydrophobicContact CG2-CE3 4.17Å; T157-W234 HydrophobicContact CG2-CZ3 4.04Å
158A73.2Confident83.2Confident35 Ų3546.9 Ų46.929%0.28925%0.247SC..  trans-63.8121.217700000110.4T156 E160 Q161T156-A158 PolarHBondContact O-N 3.04Å; A158-E160 WeakPolarHBondContact CA-OE2 3.32Å; A158-E160 VanDerWaalsContact CB-OE2 3.25Å; A158-E160 WeakPolarHBondContact CB-OE2 3.43Å; A158-E160 PolarHBondContact O-N 2.84Å; A158-E160 VanDerWaalsContact O-N 3.12Å; A158-Q161 HydrophobicContact CB-CG 4.25Å; A158-Q161 WeakPolarHBondContact O-CB 3.4Å; A158-Q161 PolarHBondContact O-N 3.35Å
159H79.9Confident83.8Confident38 Ų3847.9 Ų47.918%0.17625%0.251CS..G310 helixtrans-62.4-19.217762.4-83.3000112T157 Q161 M162 W164 Y165 F199 L233T157-H159 PolarHBondContact O-N 3.28Å; H159-Q161 PolarHBondContact O-N 3.46Å; H159-M162 VanDerWaalsContact O-CB 3.25Å; H159-M162 WeakPolarHBondContact O-CB 3.32Å; H159-M162 WeakPolarHBondContact O-CG 3.35Å; H159-M162 PolarHBondContact O-N 2.87Å; H159-W164 HydrophobicContact CB-CH2 4.32Å; H159-Y165 AromaticContact CD2-CD2 3.61Å; H159-Y165 AromaticContact CD2-CE1 3.96Å; H159-Y165 AromaticContact CD2-CE2 3.38Å; H159-Y165 WeakPolarHBondContact CD2-CE2 3.19Å; H159-Y165 AromaticContact CD2-CG 3.98Å; H159-Y165 AromaticContact CD2-CZ 3.52Å; H159-Y165 AromaticContact NE2-CE2 3.64Å; H159-Y165 AromaticContact NE2-CZ 3.49Å; H159-Y165 VanDerWaalsContact O-CB 3.27Å; H159-Y165 WeakPolarHBondContact O-CB 3.32Å; H159-F199 AromaticContact NE2-CE1 3.84Å; H159-L233 HydrophobicContact CB-CB 4.06Å; H159-L233 HydrophobicContact CB-CD1 4.21Å
160E82.8Confident84.4Confident104 Ų10450.5 Ų50.549%0.48627%0.27SS..G310 helixtrans-60.5-24.1172.6-62.187.7160.200113.5A158 M162 Y165A158-E160 WeakPolarHBondContact CA-OE2 3.32Å; A158-E160 VanDerWaalsContact CB-OE2 3.25Å; A158-E160 WeakPolarHBondContact CB-OE2 3.43Å; A158-E160 PolarHBondContact O-N 2.84Å; A158-E160 VanDerWaalsContact O-N 3.12Å; E160-M162 VanDerWaalsContact C-N 3.29Å; E160-Y165 HydrophobicContact CB-CD1 4.45Å; E160-Y165 HydrophobicContact CB-CE1 4.3Å; E160-Y165 HydrophobicContact CG-CD1 4.47Å; E160-Y165 HydrophobicContact CG-CE1 3.88Å
161Q79.3Confident84.9Confident133 Ų13357.2 Ų57.262%0.62130%0.295SS*.G310 helixtrans-82-10.1176.3-59.8-175.917.500112.4A158 H159 T260A158-Q161 HydrophobicContact CB-CG 4.25Å; A158-Q161 WeakPolarHBondContact O-CB 3.4Å; A158-Q161 PolarHBondContact O-N 3.35Å; H159-Q161 PolarHBondContact O-N 3.46Å; Q161-T260 WeakPolarHBondContact O-CG2 3.29Å
162M83.8Confident85.4Confident7 Ų761 Ų613%0.03432%0.317CS..SBendtrans-80.1138.9-173.7-58.2-61-67.900111.7H159 E160 W164 Y165 W234H159-M162 VanDerWaalsContact O-CB 3.25Å; H159-M162 WeakPolarHBondContact O-CB 3.32Å; H159-M162 WeakPolarHBondContact O-CG 3.35Å; H159-M162 PolarHBondContact O-N 2.87Å; E160-M162 VanDerWaalsContact C-N 3.29Å; M162-W164 VanDerWaalsContact C-N 3.25Å; M162-W164 HydrophobicContact CB-CD2 3.88Å; M162-W164 VanDerWaalsContact CB-CE2 3.44Å; M162-W164 HydrophobicContact CB-CE3 4.41Å; M162-W164 HydrophobicContact CB-CG 4.34Å; M162-W164 HydrophobicContact CB-CH2 4.15Å; M162-W164 HydrophobicContact CB-CZ2 3.6Å; M162-W164 HydrophobicContact CE-CZ2 3.99Å; M162-W164 VanDerWaalsContact CE-NE1 3.31Å; M162-W164 HydrophobicContact CG-CH2 4.13Å; M162-W164 HydrophobicContact CG-CZ2 3.52Å; M162-W164 PolarHBondContact O-N 2.99Å; M162-Y165 PolarHBondContact O-N 3.08Å; M162-Y165 VanDerWaalsContact O-N 3.09Å; M162-W234 VanDerWaalsContact CE-CD1 3.5Å; M162-W234 HydrophobicContact CE-CD2 3.75Å; M162-W234 VanDerWaalsContact CE-CE2 3.49Å; M162-W234 HydrophobicContact CE-CG 3.78Å; M162-W234 HydrophobicContact CE-CZ2 4.1Å; M162-W234 VanDerWaalsContact CE-NE1 3.34Å; M162-W234 HydrophobicContact SD-CD2 4.01Å; M162-W234 HydrophobicContact SD-CE3 4.28Å; M162-W234 HydrophobicContact SD-CG 4.27Å
163P87.1Confident86.1Confident32 Ų3258.9 Ų58.921%0.20831%0.308CS..THydrogen-bonded Turntrans-66.6-26.6-175.825.6-34.3000113.4Y165 V256 N257P163-Y165 VanDerWaalsContact C-N 3.32Å; P163-V256 HydrophobicContact CB-CG1 4.17Å; P163-N257 PolarHBondContact O-N 2.9Å
164W92.1Very high86.6Confident6 Ų656.8 Ų56.82%0.02330%0.297CS..THydrogen-bonded Turntrans-82.3-5.5177.448.6-103.6000113.7H159 M162 H166 F188 L189 V190 L233 W234 V237 A254H159-W164 HydrophobicContact CB-CH2 4.32Å; M162-W164 VanDerWaalsContact C-N 3.25Å; M162-W164 HydrophobicContact CB-CD2 3.88Å; M162-W164 VanDerWaalsContact CB-CE2 3.44Å; M162-W164 HydrophobicContact CB-CE3 4.41Å; M162-W164 HydrophobicContact CB-CG 4.34Å; M162-W164 HydrophobicContact CB-CH2 4.15Å; M162-W164 HydrophobicContact CB-CZ2 3.6Å; M162-W164 HydrophobicContact CE-CZ2 3.99Å; M162-W164 VanDerWaalsContact CE-NE1 3.31Å; M162-W164 HydrophobicContact CG-CH2 4.13Å; M162-W164 HydrophobicContact CG-CZ2 3.52Å; M162-W164 PolarHBondContact O-N 2.99Å; W164-H166 PolarHBondContact O-CD2 3.26Å; W164-F188 HydrophobicContact CB-CD2 4.46Å; W164-F188 HydrophobicContact CB-CE2 3.69Å; W164-F188 HydrophobicContact CB-CZ 4.01Å; W164-F188 HydrophobicContact CD2-CE2 4.3Å; W164-F188 AromaticContact CG-CE2 3.86Å; W164-F188 HydrophobicContact CG-CE2 3.86Å; W164-F188 HydrophobicContact CG-CZ 4.11Å; W164-L189 WeakPolarHBondContact O-CA 3.32Å; W164-V190 HydrophobicContact CE3-CB 3.67Å; W164-V190 HydrophobicContact CE3-CG2 3.52Å; W164-V190 HydrophobicContact CZ3-CB 3.7Å; W164-V190 HydrophobicContact CZ3-CG1 4.23Å; W164-V190 HydrophobicContact CZ3-CG2 3.63Å; W164-V190 PolarHBondContact O-N 2.89Å; W164-L233 HydrophobicContact CH2-CB 3.99Å; W164-L233 HydrophobicContact CZ3-CB 4.46Å; W164-W234 HydrophobicContact CZ2-CB 4.11Å; W164-W234 HydrophobicContact CZ2-CG 4.35Å; W164-V237 HydrophobicContact CD2-CG1 4.38Å; W164-V237 HydrophobicContact CD2-CG2 4.26Å; W164-V237 HydrophobicContact CE3-CG2 4.12Å; W164-V237 HydrophobicContact CH2-CB 4.48Å; W164-V237 HydrophobicContact CH2-CG2 3.86Å; W164-V237 HydrophobicContact CZ2-CB 4.13Å; W164-V237 HydrophobicContact CZ2-CG1 4.39Å; W164-V237 HydrophobicContact CZ2-CG2 3.97Å; W164-V237 HydrophobicContact CZ3-CG2 3.93Å; W164-A254 HydrophobicContact CB-CB 3.82Å
165Y93.6Very high87.2Confident20 Ų2058.3 Ų58.38%0.07830%0.304CS..BIsolated β-bridgetrans-95.2127.3179.2-179.4-101.4000111.5H159 E160 M162 P163 V190 D192 F199 N257H159-Y165 AromaticContact CD2-CD2 3.61Å; H159-Y165 AromaticContact CD2-CE1 3.96Å; H159-Y165 AromaticContact CD2-CE2 3.38Å; H159-Y165 WeakPolarHBondContact CD2-CE2 3.19Å; H159-Y165 AromaticContact CD2-CG 3.98Å; H159-Y165 AromaticContact CD2-CZ 3.52Å; H159-Y165 AromaticContact NE2-CE2 3.64Å; H159-Y165 AromaticContact NE2-CZ 3.49Å; H159-Y165 VanDerWaalsContact O-CB 3.27Å; H159-Y165 WeakPolarHBondContact O-CB 3.32Å; E160-Y165 HydrophobicContact CB-CD1 4.45Å; E160-Y165 HydrophobicContact CB-CE1 4.3Å; E160-Y165 HydrophobicContact CG-CD1 4.47Å; E160-Y165 HydrophobicContact CG-CE1 3.88Å; M162-Y165 PolarHBondContact O-N 3.08Å; M162-Y165 VanDerWaalsContact O-N 3.09Å; P163-Y165 VanDerWaalsContact C-N 3.32Å; Y165-V190 HydrophobicContact CD2-CB 4.36Å; Y165-V190 HydrophobicContact CD2-CG1 4.23Å; Y165-D192 PolarHBondContact OH-OD1 3.41Å; Y165-D192 PolarHBondContact OH-OD2 3.33Å; Y165-D192 VanDerWaalsContact OH-OD2 3.04Å; Y165-F199 HydrophobicContact CE2-CD1 4.42Å; Y165-F199 HydrophobicContact CE2-CE1 4.44Å; Y165-N257 PolarHBondContact O-ND2 3.29Å; Y165-N257 VanDerWaalsContact O-ND2 3.15Å
166H92.7Very high88.1Confident12 Ų1264.6 Ų64.66%0.05632%0.317CS..  trans-111.91.1-170.9-74.2-137.8000113.3W164 I169 R177 V190 C255W164-H166 PolarHBondContact O-CD2 3.26Å; H166-I169 HydrophobicContact CB-CD1 3.58Å; H166-I169 HydrophobicContact CB-CG1 3.95Å; H166-R177 WeakPolarHBondContact ND1-CD 3.5Å; H166-R177 PolarHBondContact ND1-NH1 2.96Å; H166-R177 VanDerWaalsContact ND1-NH1 3.1Å; H166-V190 PolarHBondContact N-O 3.25Å; H166-C255 PolarHBondContact NE2-O 3.11Å
167G90.6Very high88.8Confident15 Ų1562.7 Ų62.716%0.15530%0.298CS..  trans61.2-148.5-17600000112.8I169 R191 D192G167-I169 PolarHBondContact O-N 2.89Å; G167-R191 WeakPolarHBondContact O-CA 3.46Å; G167-R191 WeakPolarHBondContact O-CB 3.47Å; G167-D192 PolarHBondContact O-N 2.83Å
168K90.6Very high89.7Confident154 Ų15461.4 Ų61.467%0.6729%0.29SS*.SBendtrans-77.683.4-179.5-163.4169.9-173.21710112.2D192 D194K168-D192 HydrophobicContact CB-CB 4.35Å; K168-D192 PolarHBondContact N-OD2 3.08Å; K168-D192 VanDerWaalsContact N-OD2 3.09Å; K168-D194 VanDerWaalsContact CE-OD1 3.31Å; K168-D194 WeakPolarHBondContact CE-OD1 3.45Å; K168-D194 IonicContact NZ-OD1 3.58Å
169I93.2Very high90.7Very high23 Ų2364.1 Ų64.112%0.11829%0.293CS..  trans-114.3150.216960.3162.9000111.2H166 G167 E173 L189 R191H166-I169 HydrophobicContact CB-CD1 3.58Å; H166-I169 HydrophobicContact CB-CG1 3.95Å; G167-I169 PolarHBondContact O-N 2.89Å; I169-E173 HydrophobicContact CB-CB 4.43Å; I169-E173 HydrophobicContact CB-CG 4.12Å; I169-E173 HydrophobicContact CG2-CG 4.33Å; I169-L189 HydrophobicContact CD1-CD1 4.18Å; I169-R191 HydrophobicContact CD1-CB 4.21Å; I169-R191 HydrophobicContact CG1-CB 3.56Å; I169-R191 HydrophobicContact CG1-CG 4.31Å
170T94.1Very high91.1Very high93 Ų9366.2 Ų66.257%0.57131%0.313SS*.  trans-70.1161.1177.567.70000111.1L172 E173 G174T170-L172 VanDerWaalsContact C-N 3.31Å; T170-L172 PolarHBondContact O-N 3.28Å; T170-E173 PolarHBondContact O-N 3.41Å; T170-E173 WeakPolarHBondContact OG1-CB 3.44Å; T170-E173 PolarHBondContact OG1-N 2.91Å; T170-E173 VanDerWaalsContact OG1-N 3.17Å; T170-G174 PolarHBondContact O-N 2.89Å
171R93.8Very high91.3Very high141 Ų14164.4 Ų64.453%0.53232%0.321SS..Hα-helixtrans-54.7-48.1173.6177.8178.7171.5169.80.5111.7E173 G174 E175 H211R171-E173 VanDerWaalsContact C-N 3.35Å; R171-E173 PolarHBondContact O-N 2.94Å; R171-G174 PolarHBondContact O-N 2.9Å; R171-G174 VanDerWaalsContact O-N 3.16Å; R171-E175 WeakPolarHBondContact CG-OE1 3.44Å; R171-E175 IonicContact CZ-OE1 2.81Å; R171-E175 IonicContact NE-OE1 3.48Å; R171-E175 PolarHBondContact NE-OE1 3.09Å; R171-E175 IonicContact NH2-OE1 3.33Å; R171-E175 WeakPolarHBondContact O-CG 3.32Å; R171-E175 PolarHBondContact O-N 3.01Å; R171-H211 VanDerWaalsContact CZ-CD2 3.49Å; R171-H211 PolarHBondContact NE-CD2 3.47Å; R171-H211 VanDerWaalsContact NE-CD2 3.32Å; R171-H211 PolarHBondContact NE-NE2 3.38Å; R171-H211 PolarHBondContact NH2-CD2 3.43Å; R171-H211 VanDerWaalsContact NH2-CD2 3.33Å
172L94.1Very high91.8Very high128 Ų12861.4 Ų61.467%0.6732%0.32SS*.Hα-helixtrans-62.6-40.4-179.3-17468.4000112.1T170 E175 R176T170-L172 VanDerWaalsContact C-N 3.31Å; T170-L172 PolarHBondContact O-N 3.28Å; L172-E175 PolarHBondContact O-N 2.99Å; L172-R176 WeakPolarHBondContact O-CB 3.43Å; L172-R176 PolarHBondContact O-N 3.45Å
173E93.1Very high92.2Very high59 Ų5964.5 Ų64.528%0.27633%0.334SS..Hα-helixtrans-67.1-37.9175.4176.858-162.800111.6I169 T170 R171 R176 R177I169-E173 HydrophobicContact CB-CB 4.43Å; I169-E173 HydrophobicContact CB-CG 4.12Å; I169-E173 HydrophobicContact CG2-CG 4.33Å; T170-E173 PolarHBondContact O-N 3.41Å; T170-E173 WeakPolarHBondContact OG1-CB 3.44Å; T170-E173 PolarHBondContact OG1-N 2.91Å; T170-E173 VanDerWaalsContact OG1-N 3.17Å; R171-E173 VanDerWaalsContact C-N 3.35Å; R171-E173 PolarHBondContact O-N 2.94Å; E173-R176 PolarHBondContact O-N 3.01Å; E173-R177 WeakPolarHBondContact O-CG 3.25Å; E173-R177 PolarHBondContact O-N 2.94Å; E173-R177 VanDerWaalsContact O-N 3.08Å; E173-R177 IonicContact OE1-CZ 2.79Å; E173-R177 IonicContact OE1-NE 2.99Å; E173-R177 PolarHBondContact OE1-NE 3.4Å; E173-R177 IonicContact OE1-NH2 3.2Å; E173-R177 PolarHBondContact OE1-NH2 3.02Å
174G92.7Very high92.6Very high0 Ų065.3 Ų65.30%034%0.339CS..Hα-helixtrans-60.9-47.9172.400000112.4T170 R171 R176 R177 L178T170-G174 PolarHBondContact O-N 2.89Å; R171-G174 PolarHBondContact O-N 2.9Å; R171-G174 VanDerWaalsContact O-N 3.16Å; G174-R176 PolarHBondContact O-N 3.37Å; G174-R177 PolarHBondContact O-N 3.25Å; G174-L178 WeakPolarHBondContact O-CG 3.33Å; G174-L178 PolarHBondContact O-N 3.34Å
175E95.1Very high92.7Very high39 Ų3969.3 Ų69.318%0.18236%0.361CS..Hα-helixtrans-57.4-48.6174.5-71.2172.2-170.400110.8R171 L172 R177 L178 Y179 A209 H211R171-E175 WeakPolarHBondContact CG-OE1 3.44Å; R171-E175 IonicContact CZ-OE1 2.81Å; R171-E175 IonicContact NE-OE1 3.48Å; R171-E175 PolarHBondContact NE-OE1 3.09Å; R171-E175 IonicContact NH2-OE1 3.33Å; R171-E175 WeakPolarHBondContact O-CG 3.32Å; R171-E175 PolarHBondContact O-N 3.01Å; L172-E175 PolarHBondContact O-N 2.99Å; E175-R177 VanDerWaalsContact C-N 3.29Å; E175-R177 PolarHBondContact O-N 3.14Å; E175-L178 PolarHBondContact O-N 3.07Å; E175-L178 VanDerWaalsContact O-N 3.08Å; E175-Y179 HydrophobicContact CB-CD2 4.24Å; E175-Y179 HydrophobicContact CB-CE2 4.07Å; E175-Y179 WeakPolarHBondContact O-CD2 3.43Å; E175-Y179 PolarHBondContact O-N 3.32Å; E175-A209 HydrophobicContact CG-CB 4.01Å; E175-H211 WeakPolarHBondContact CG-NE2 3.02Å; E175-H211 IonicContact OE1-CD2 2.61Å; E175-H211 IonicContact OE1-CE1 3.55Å; E175-H211 IonicContact OE1-NE2 3.49Å; E175-H211 PolarHBondContact OE1-NE2 3.48Å
176R93.9Very high92.7Very high182 Ų18268.4 Ų68.469%0.68736%0.358SS*.Hα-helixtrans-54.6-42.9178-175.4-177.3176.8168.41.4112.5L172 E173 G174 Y179 S180L172-R176 WeakPolarHBondContact O-CB 3.43Å; L172-R176 PolarHBondContact O-N 3.45Å; E173-R176 PolarHBondContact O-N 3.01Å; G174-R176 PolarHBondContact O-N 3.37Å; R176-Y179 PolarHBondContact O-N 2.68Å; R176-S180 PolarHBondContact O-N 3.47Å; R176-S180 VanDerWaalsContact O-N 3.11Å
177R93.7Very high92.9Very high69 Ų6968.6 Ų68.626%0.2636%0.358SS..Hα-helixtrans-68.7-38.3177.9-69.6-177.7-169.7-162.15.2112.6H166 E173 G174 E175 S180 L189H166-R177 WeakPolarHBondContact ND1-CD 3.5Å; H166-R177 PolarHBondContact ND1-NH1 2.96Å; H166-R177 VanDerWaalsContact ND1-NH1 3.1Å; E173-R177 WeakPolarHBondContact O-CG 3.25Å; E173-R177 PolarHBondContact O-N 2.94Å; E173-R177 VanDerWaalsContact O-N 3.08Å; E173-R177 IonicContact OE1-CZ 2.79Å; E173-R177 IonicContact OE1-NE 2.99Å; E173-R177 PolarHBondContact OE1-NE 3.4Å; E173-R177 IonicContact OE1-NH2 3.2Å; E173-R177 PolarHBondContact OE1-NH2 3.02Å; G174-R177 PolarHBondContact O-N 3.25Å; E175-R177 VanDerWaalsContact C-N 3.29Å; E175-R177 PolarHBondContact O-N 3.14Å; R177-S180 WeakPolarHBondContact O-CB 3.25Å; R177-S180 PolarHBondContact O-N 2.88Å; R177-L189 HydrophobicContact CB-CD2 4.13Å
178L93.4Very high93.2Very high0 Ų067.9 Ų67.90%035%0.351CS..Hα-helixtrans-65-41.1175.3-72.1174.5000111.9G174 E175 S180 K187 L189 M204 C255G174-L178 WeakPolarHBondContact O-CG 3.33Å; G174-L178 PolarHBondContact O-N 3.34Å; E175-L178 PolarHBondContact O-N 3.07Å; E175-L178 VanDerWaalsContact O-N 3.08Å; L178-S180 VanDerWaalsContact C-N 3.25Å; L178-S180 PolarHBondContact O-N 3.43Å; L178-K187 HydrophobicContact CD2-CD 4.45Å; L178-K187 HydrophobicContact CD2-CG 4.08Å; L178-K187 PolarHBondContact O-NZ 3.3Å; L178-L189 HydrophobicContact CD2-CD2 4.04Å; L178-L189 HydrophobicContact CD2-CG 4.21Å; L178-L189 HydrophobicContact CG-CD2 3.88Å; L178-L189 HydrophobicContact CG-CG 4.28Å; L178-M204 HydrophobicContact CB-CG 3.83Å; L178-M204 HydrophobicContact CB-SD 3.79Å; L178-M204 HydrophobicContact CD1-CG 4.4Å; L178-M204 HydrophobicContact CD1-SD 4.47Å; L178-M204 HydrophobicContact CD2-CG 4.22Å; L178-M204 HydrophobicContact CG-CG 4.37Å; L178-C255 HydrophobicContact CD2-CB 4.13Å
179Y94.2Very high93.4Very high91 Ų9160.5 Ų60.536%0.35732%0.319SS..Hα-helixtrans-71.5-17.5176.3-71.5-60.4000113.9E175 R176 Q183 M204 K207 A209E175-Y179 HydrophobicContact CB-CD2 4.24Å; E175-Y179 HydrophobicContact CB-CE2 4.07Å; E175-Y179 WeakPolarHBondContact O-CD2 3.43Å; E175-Y179 PolarHBondContact O-N 3.32Å; R176-Y179 PolarHBondContact O-N 2.68Å; Y179-Q183 PolarHBondContact O-NE2 3.45Å; Y179-M204 HydrophobicContact CD1-CE 3.8Å; Y179-M204 HydrophobicContact CD1-SD 4.33Å; Y179-M204 HydrophobicContact CE1-CE 3.56Å; Y179-M204 HydrophobicContact CE1-SD 4.09Å; Y179-K207 WeakPolarHBondContact CE1-O 3.36Å; Y179-A209 HydrophobicContact CE2-CB 4.19Å; Y179-A209 PolarHBondContact OH-N 2.98Å
180S89.6Confident93.6Very high83 Ų8359.4 Ų59.458%0.5831%0.314SS*.SBendtrans-73127.6177.5-175.20000111.9R176 R177 L178 K187R176-S180 PolarHBondContact O-N 3.47Å; R176-S180 VanDerWaalsContact O-N 3.11Å; R177-S180 WeakPolarHBondContact O-CB 3.25Å; R177-S180 PolarHBondContact O-N 2.88Å; L178-S180 VanDerWaalsContact C-N 3.25Å; L178-S180 PolarHBondContact O-N 3.43Å; S180-K187 PolarHBondContact O-NZ 2.91Å
181G86.6Confident93.6Very high65 Ų6556 Ų5667%0.6729%0.29SS*.SBendtrans75.6-145.5178.700000113
182A89.2Confident93.5Very high71 Ų7151.1 Ų51.159%0.58727%0.274SS*.  trans-65.9141.517800000111.2P184 K187A182-P184 VanDerWaalsContact O-CD 3.31Å; A182-P184 WeakPolarHBondContact O-CD 3.42Å; A182-K187 WeakPolarHBondContact O-CD 3.28Å; A182-K187 PolarHBondContact O-NZ 2.93Å
183Q92.4Very high93.3Very high71 Ų7148.4 Ų48.433%0.33226%0.255SS..  trans-119.858-179.4-61.6172.613.900111Y179 M204Y179-Q183 PolarHBondContact O-NE2 3.45Å; Q183-M204 HydrophobicContact CB-CE 4.13Å; Q183-M204 HydrophobicContact CG-CE 4.23Å
184P95.1Very high92.9Very high50 Ų5052.4 Ų52.433%0.32528%0.279SS..  trans-68.1152.4173.931.4-34000110.4A182 K187A182-P184 VanDerWaalsContact O-CD 3.31Å; A182-P184 WeakPolarHBondContact O-CD 3.42Å; P184-K187 HydrophobicContact CG-CB 4.19Å; P184-K187 WeakPolarHBondContact O-CB 3.28Å; P184-K187 PolarHBondContact O-N 3Å
185D95.7Very high92.5Very high89 Ų8957.2 Ų57.248%0.47630%0.301SS..THydrogen-bonded Turntrans-61138.3171.2-72.4-15.8000110.1Y205 G206D185-Y205 HydrophobicContact CB-CD2 4.11Å; D185-Y205 WeakPolarHBondContact OD1-CA 3.49Å; D185-G206 PolarHBondContact OD1-N 3.28Å
186G93.2Very high91.6Very high1 Ų159.8 Ų59.81%0.0133%0.329CS..THydrogen-bonded Turntrans86.6-6-176.800000114.8F188 M204 G252G186-F188 PolarHBondContact O-N 3.28Å; G186-M204 PolarHBondContact N-O 3.18Å; G186-G252 PolarHBondContact O-N 3.44Å
187K95.9Very high90.9Very high16 Ų1656.1 Ų56.17%0.0732%0.323CS..  trans-57.8128.6175.9-177.9-176.3-179.5-176.20110.7L178 S180 A182 P184 M203 M204 E253 C255L178-K187 HydrophobicContact CD2-CD 4.45Å; L178-K187 HydrophobicContact CD2-CG 4.08Å; L178-K187 PolarHBondContact O-NZ 3.3Å; S180-K187 PolarHBondContact O-NZ 2.91Å; A182-K187 WeakPolarHBondContact O-CD 3.28Å; A182-K187 PolarHBondContact O-NZ 2.93Å; P184-K187 HydrophobicContact CG-CB 4.19Å; P184-K187 WeakPolarHBondContact O-CB 3.28Å; P184-K187 PolarHBondContact O-N 3Å; K187-M203 CarbonylContact O-C 3.6Å; K187-M203 WeakPolarHBondContact O-CA 3.49Å; K187-M204 HydrophobicContact CB-CB 4.11Å; K187-M204 HydrophobicContact CB-CG 4.21Å; K187-M204 PolarHBondContact O-N 3.49Å; K187-E253 CarbonylContact C-O 3.6Å; K187-E253 WeakPolarHBondContact CA-O 3.45Å; K187-C255 HydrophobicContact CG-CB 4.47Å
188F97.1Very high90.7Very high0 Ų053.1 Ų53.10%031%0.313CS..EExtended strand (participates in β ladder)trans-143.3163.1-170.278.5-81000115.5W164 G186 L201 S202 M203 V237 L251 G252 E253 A254 C255W164-F188 HydrophobicContact CB-CD2 4.46Å; W164-F188 HydrophobicContact CB-CE2 3.69Å; W164-F188 HydrophobicContact CB-CZ 4.01Å; W164-F188 HydrophobicContact CD2-CE2 4.3Å; W164-F188 AromaticContact CG-CE2 3.86Å; W164-F188 HydrophobicContact CG-CE2 3.86Å; W164-F188 HydrophobicContact CG-CZ 4.11Å; G186-F188 PolarHBondContact O-N 3.28Å; F188-L201 HydrophobicContact CB-CD1 4.24Å; F188-L201 HydrophobicContact CD2-CD1 3.78Å; F188-L201 HydrophobicContact CG-CD1 4.39Å; F188-S202 CarbonylContact C-O 3.28Å; F188-S202 VanDerWaalsContact CA-O 3.23Å; F188-S202 WeakPolarHBondContact CA-O 3.27Å; F188-M203 HydrophobicContact CB-CB 3.95Å; F188-V237 HydrophobicContact CE2-CG1 3.58Å; F188-V237 HydrophobicContact CE2-CG2 4.3Å; F188-V237 HydrophobicContact CZ-CG1 3.55Å; F188-L251 HydrophobicContact CB-CD2 3.81Å; F188-L251 HydrophobicContact CD1-CB 3.86Å; F188-L251 HydrophobicContact CD1-CD1 4.34Å; F188-L251 HydrophobicContact CD1-CD2 4.2Å; F188-L251 HydrophobicContact CD1-CG 4.36Å; F188-L251 HydrophobicContact CD2-CD1 3.97Å; F188-L251 HydrophobicContact CD2-CD2 4.38Å; F188-L251 HydrophobicContact CE1-CB 4Å; F188-L251 HydrophobicContact CE1-CD1 4.39Å; F188-L251 HydrophobicContact CE2-CD1 4.02Å; F188-L251 HydrophobicContact CG-CB 4.35Å; F188-L251 HydrophobicContact CG-CD1 4.14Å; F188-L251 HydrophobicContact CG-CD2 3.87Å; F188-L251 HydrophobicContact CG-CG 4.34Å; F188-L251 HydrophobicContact CZ-CD1 4.23Å; F188-G252 WeakPolarHBondContact CE1-O 3.29Å; F188-E253 WeakPolarHBondContact CD1-O 3.42Å; F188-E253 PolarHBondContact N-O 2.96Å; F188-A254 HydrophobicContact CE1-CB 4.19Å; F188-A254 HydrophobicContact CZ-CB 4.24Å; F188-C255 VanDerWaalsContact O-CB 3.29Å; F188-C255 WeakPolarHBondContact O-CB 3.36Å; F188-C255 PolarHBondContact O-N 3.32Å
189L96.1Very high90.8Very high0 Ų054.3 Ų54.30%032%0.318CS..EExtended strand (participates in β ladder)trans-147.6157.7166.56085.9000111W164 I169 R177 L178 R191 S202 C255W164-L189 WeakPolarHBondContact O-CA 3.32Å; I169-L189 HydrophobicContact CD1-CD1 4.18Å; R177-L189 HydrophobicContact CB-CD2 4.13Å; L178-L189 HydrophobicContact CD2-CD2 4.04Å; L178-L189 HydrophobicContact CD2-CG 4.21Å; L178-L189 HydrophobicContact CG-CD2 3.88Å; L178-L189 HydrophobicContact CG-CG 4.28Å; L189-R191 HydrophobicContact CD1-CB 4.33Å; L189-R191 HydrophobicContact CD1-CG 4.27Å; L189-S202 PolarHBondContact N-O 3.46Å; L189-S202 PolarHBondContact O-N 2.65Å; L189-C255 HydrophobicContact CB-CB 4.19Å; L189-C255 HydrophobicContact CD2-CB 4.3Å
190V95.9Very high90.8Very high0 Ų050.2 Ų50.20%030%0.303CS..EExtended strand (participates in β ladder)trans-114.9137.8172.5-177.30000109.6W164 Y165 H166 F199 L201 L233 V237W164-V190 HydrophobicContact CE3-CB 3.67Å; W164-V190 HydrophobicContact CE3-CG2 3.52Å; W164-V190 HydrophobicContact CZ3-CB 3.7Å; W164-V190 HydrophobicContact CZ3-CG1 4.23Å; W164-V190 HydrophobicContact CZ3-CG2 3.63Å; W164-V190 PolarHBondContact O-N 2.89Å; Y165-V190 HydrophobicContact CD2-CB 4.36Å; Y165-V190 HydrophobicContact CD2-CG1 4.23Å; H166-V190 PolarHBondContact N-O 3.25Å; V190-F199 HydrophobicContact CG1-CB 4.26Å; V190-L201 HydrophobicContact CG2-CD1 3.88Å; V190-L233 HydrophobicContact CG1-CD1 4.29Å; V190-V237 HydrophobicContact CG2-CG2 3.95Å
191R94.3Very high91.1Very high22 Ų2246.2 Ų46.28%0.08328%0.275CS..EExtended strand (participates in β ladder)trans-140.6157-178.860.2-178.5177.9791.9111.4G167 I169 L189 F199 A200 S202G167-R191 WeakPolarHBondContact O-CA 3.46Å; G167-R191 WeakPolarHBondContact O-CB 3.47Å; I169-R191 HydrophobicContact CD1-CB 4.21Å; I169-R191 HydrophobicContact CG1-CB 3.56Å; I169-R191 HydrophobicContact CG1-CG 4.31Å; L189-R191 HydrophobicContact CD1-CB 4.33Å; L189-R191 HydrophobicContact CD1-CG 4.27Å; R191-F199 CarbonylContact O-C 3.59Å; R191-F199 WeakPolarHBondContact O-CA 3.3Å; R191-A200 HydrophobicContact CG-CB 4Å; R191-A200 PolarHBondContact N-O 2.94Å; R191-A200 PolarHBondContact O-N 3.36Å; R191-S202 PolarHBondContact NE-OG 3.03Å
192D92.3Very high91.6Very high37 Ų3743.1 Ų43.120%0.19824%0.243CC..EExtended strand (participates in β ladder)trans-69.4151.4175-56.1-32.5000111.1Y165 G167 K168 F199Y165-D192 PolarHBondContact OH-OD1 3.41Å; Y165-D192 PolarHBondContact OH-OD2 3.33Å; Y165-D192 VanDerWaalsContact OH-OD2 3.04Å; G167-D192 PolarHBondContact O-N 2.83Å; K168-D192 HydrophobicContact CB-CB 4.35Å; K168-D192 PolarHBondContact N-OD2 3.08Å; K168-D192 VanDerWaalsContact N-OD2 3.09Å; D192-F199 WeakPolarHBondContact OD1-CD1 3.45Å; D192-F199 WeakPolarHBondContact OD1-CE1 3.42Å
193R90.9Very high91.9Very high71 Ų7139.8 Ų39.827%0.26822%0.215SC..  trans-101.5166.2162.4-66.6-175.465.6-117.2-2.7109.5E195 S198 F199 A200R193-E195 IonicContact CZ-OE1 2.89Å; R193-E195 IonicContact CZ-OE2 3.52Å; R193-E195 VanDerWaalsContact NH1-CD 3.27Å; R193-E195 IonicContact NH1-OE1 3.66Å; R193-E195 PolarHBondContact NH1-OE1 2.86Å; R193-E195 IonicContact NH1-OE2 2.93Å; R193-E195 PolarHBondContact NH1-OE2 2.88Å; R193-E195 IonicContact NH2-OE1 2.82Å; R193-E195 PolarHBondContact NH2-OE1 3.45Å; R193-E195 IonicContact NH2-OE2 3.71Å; R193-E195 PolarHBondContact O-N 3.46Å; R193-S198 WeakPolarHBondContact CB-O 3.42Å; R193-S198 PolarHBondContact N-O 3.37Å; R193-S198 PolarHBondContact NH1-OG 3.31Å; R193-F199 WeakPolarHBondContact CD-O 3.39Å; R193-A200 HydrophobicContact CG-CB 3.89Å
194D83.8Confident92.1Very high143 Ų14336.4 Ų36.477%0.76520%0.199SC*.SBendtrans-71.1-24.2178.4-65.1-50.6000112.6K168K168-D194 VanDerWaalsContact CE-OD1 3.31Å; K168-D194 WeakPolarHBondContact CE-OD1 3.45Å; K168-D194 IonicContact NZ-OD1 3.58Å
195E83.9Confident92.2Very high102 Ų10238.2 Ų38.248%0.47720%0.2SC..SBendtrans-71128.7169.8-71.2159.8-139.900110R193 N197 S198R193-E195 IonicContact CZ-OE1 2.89Å; R193-E195 IonicContact CZ-OE2 3.52Å; R193-E195 VanDerWaalsContact NH1-CD 3.27Å; R193-E195 IonicContact NH1-OE1 3.66Å; R193-E195 PolarHBondContact NH1-OE1 2.86Å; R193-E195 IonicContact NH1-OE2 2.93Å; R193-E195 PolarHBondContact NH1-OE2 2.88Å; R193-E195 IonicContact NH2-OE1 2.82Å; R193-E195 PolarHBondContact NH2-OE1 3.45Å; R193-E195 IonicContact NH2-OE2 3.71Å; R193-E195 PolarHBondContact O-N 3.46Å; E195-N197 PolarHBondContact O-N 2.92Å; E195-S198 PolarHBondContact O-N 3.22Å
196A76.3Confident92.1Very high93 Ų9336.3 Ų36.377%0.76920%0.202SC*.THydrogen-bonded Turntrans-56.2139.2175.900000110.9S198A196-S198 PolarHBondContact O-N 3.42Å
197N79.6Confident92.1Very high105 Ų10543.5 Ų43.556%0.56123%0.233SC*.THydrogen-bonded Turntrans57.727.6-179.8-56-24.8000114.4E195 Q216E195-N197 PolarHBondContact O-N 2.92Å; N197-Q216 HydrophobicContact CB-CB 3.88Å; N197-Q216 VanDerWaalsContact CB-OE1 3.24Å; N197-Q216 PolarHBondContact ND2-OE1 2.78Å; N197-Q216 WeakPolarHBondContact O-CB 3.42Å; N197-Q216 PolarHBondContact O-N 2.83Å
198S89.7Confident92.1Very high6 Ų646.1 Ų46.14%0.04225%0.25CC..EExtended strand (participates in β ladder)trans-123.2139.9171.6-172.70000111.1R193 E195 A196 I214R193-S198 WeakPolarHBondContact CB-O 3.42Å; R193-S198 PolarHBondContact N-O 3.37Å; R193-S198 PolarHBondContact NH1-OG 3.31Å; E195-S198 PolarHBondContact O-N 3.22Å; A196-S198 PolarHBondContact O-N 3.42Å; S198-I214 WeakPolarHBondContact CA-O 3.49Å; S198-I214 PolarHBondContact OG-O 3.25Å
199F94.8Very high92Very high25 Ų2546.8 Ų46.811%0.1126%0.255CS..EExtended strand (participates in β ladder)trans-125163.6179.7-52.2-89000110.3H159 Y165 V190 R191 D192 R193 I214 L222 L233H159-F199 AromaticContact NE2-CE1 3.84Å; Y165-F199 HydrophobicContact CE2-CD1 4.42Å; Y165-F199 HydrophobicContact CE2-CE1 4.44Å; V190-F199 HydrophobicContact CG1-CB 4.26Å; R191-F199 CarbonylContact O-C 3.59Å; R191-F199 WeakPolarHBondContact O-CA 3.3Å; D192-F199 WeakPolarHBondContact OD1-CD1 3.45Å; D192-F199 WeakPolarHBondContact OD1-CE1 3.42Å; R193-F199 WeakPolarHBondContact CD-O 3.39Å; F199-I214 HydrophobicContact CB-CB 4.14Å; F199-I214 HydrophobicContact CB-CD1 4.5Å; F199-I214 PolarHBondContact N-O 2.9Å; F199-I214 PolarHBondContact O-N 3.01Å; F199-L222 HydrophobicContact CD2-CD2 4.05Å; F199-L222 HydrophobicContact CE2-CD2 3.85Å; F199-L233 HydrophobicContact CB-CD2 4.36Å; F199-L233 HydrophobicContact CD1-CD1 3.72Å; F199-L233 HydrophobicContact CD2-CD1 3.99Å; F199-L233 HydrophobicContact CD2-CD2 3.89Å; F199-L233 HydrophobicContact CD2-CG 4.28Å; F199-L233 HydrophobicContact CE1-CD1 3.68Å; F199-L233 HydrophobicContact CE2-CD1 3.97Å; F199-L233 HydrophobicContact CE2-CD2 4.37Å; F199-L233 HydrophobicContact CE2-CG 4.31Å; F199-L233 HydrophobicContact CG-CD1 3.87Å; F199-L233 HydrophobicContact CG-CD2 4.1Å; F199-L233 HydrophobicContact CZ-CD1 3.81Å
200A94.9Very high92Very high4 Ų450.9 Ų50.93%0.03327%0.272CS..EExtended strand (participates in β ladder)trans-124.1124.2171.500000110R191 R193 Y212R191-A200 HydrophobicContact CG-CB 4Å; R191-A200 PolarHBondContact N-O 2.94Å; R191-A200 PolarHBondContact O-N 3.36Å; R193-A200 HydrophobicContact CG-CB 3.89Å; A200-Y212 CarbonylContact C-O 3.58Å; A200-Y212 WeakPolarHBondContact CA-O 3.24Å
201L96.3Very high92Very high0 Ų053.1 Ų53.10%028%0.282CS..EExtended strand (participates in β ladder)trans-88.4118.5167.1172.565.3000108F188 V190 H211 Y212 I214 L240 L247 L251F188-L201 HydrophobicContact CB-CD1 4.24Å; F188-L201 HydrophobicContact CD2-CD1 3.78Å; F188-L201 HydrophobicContact CG-CD1 4.39Å; V190-L201 HydrophobicContact CG2-CD1 3.88Å; L201-H211 CarbonylContact O-C 3.54Å; L201-H211 WeakPolarHBondContact O-CA 3.47Å; L201-Y212 PolarHBondContact N-O 3.08Å; L201-Y212 PolarHBondContact O-N 3.42Å; L201-I214 HydrophobicContact CB-CD1 3.94Å; L201-L240 HydrophobicContact CD2-CD1 3.65Å; L201-L247 HydrophobicContact CD2-CD1 4.18Å; L201-L247 HydrophobicContact CD2-CD2 3.92Å; L201-L251 HydrophobicContact CD1-CD1 4.21Å; L201-L251 HydrophobicContact CD1-CD2 4.2Å; L201-L251 HydrophobicContact CD2-CD1 4.39Å; L201-L251 HydrophobicContact CD2-CD2 4.22Å
202S96.3Very high92Very high0 Ų054.2 Ų54.20%029%0.287CS..EExtended strand (participates in β ladder)trans-111126.7177.8-51.80000108.7F188 L189 R191 Y210 H211F188-S202 CarbonylContact C-O 3.28Å; F188-S202 VanDerWaalsContact CA-O 3.23Å; F188-S202 WeakPolarHBondContact CA-O 3.27Å; L189-S202 PolarHBondContact N-O 3.46Å; L189-S202 PolarHBondContact O-N 2.65Å; R191-S202 PolarHBondContact NE-OG 3.03Å; S202-Y210 CarbonylContact C-O 3.56Å; S202-Y210 VanDerWaalsContact CA-O 3.31Å; S202-Y210 WeakPolarHBondContact CA-O 3.34Å; S202-H211 WeakPolarHBondContact CB-ND1 3.38Å; S202-H211 PolarHBondContact OG-ND1 2.83Å
203M96.2Very high92.1Very high0 Ų055.3 Ų55.30%029%0.29CS..EExtended strand (participates in β ladder)trans-138.2156.9-176.872177.4-62.800113.2K187 F188 A209 Y210 Y212 L247 V248 T249 L251K187-M203 CarbonylContact O-C 3.6Å; K187-M203 WeakPolarHBondContact O-CA 3.49Å; F188-M203 HydrophobicContact CB-CB 3.95Å; M203-A209 CarbonylContact O-C 3.48Å; M203-A209 WeakPolarHBondContact O-CA 3.1Å; M203-Y210 PolarHBondContact N-O 3.11Å; M203-Y210 PolarHBondContact O-N 2.69Å; M203-Y212 HydrophobicContact CG-CD2 4.32Å; M203-Y212 HydrophobicContact CG-CE2 3.78Å; M203-Y212 HydrophobicContact SD-CD2 4.28Å; M203-Y212 HydrophobicContact SD-CE2 3.6Å; M203-L247 HydrophobicContact SD-CB 4.13Å; M203-L247 HydrophobicContact SD-CD1 4.06Å; M203-L247 HydrophobicContact SD-CD2 3.99Å; M203-L247 HydrophobicContact SD-CG 4.29Å; M203-V248 HydrophobicContact CE-CG1 4.15Å; M203-V248 HydrophobicContact SD-CG1 4.11Å; M203-T249 HydrophobicContact CE-CG2 3.45Å; M203-T249 VanDerWaalsContact CE-CG2 3.45Å; M203-T249 WeakPolarHBondContact CE-O 3.43Å; M203-L251 HydrophobicContact CB-CD2 4.38Å; M203-L251 HydrophobicContact CE-CD2 4.21Å; M203-L251 HydrophobicContact SD-CD2 4.23Å
204M96.4Very high92.3Very high0 Ų051.9 Ų51.90%028%0.277CS..EExtended strand (participates in β ladder)trans-98135.4176.7-68.3-64.1-66.600111.2L178 Y179 Q183 G186 K187 T208 A209L178-M204 HydrophobicContact CB-CG 3.83Å; L178-M204 HydrophobicContact CB-SD 3.79Å; L178-M204 HydrophobicContact CD1-CG 4.4Å; L178-M204 HydrophobicContact CD1-SD 4.47Å; L178-M204 HydrophobicContact CD2-CG 4.22Å; L178-M204 HydrophobicContact CG-CG 4.37Å; Y179-M204 HydrophobicContact CD1-CE 3.8Å; Y179-M204 HydrophobicContact CD1-SD 4.33Å; Y179-M204 HydrophobicContact CE1-CE 3.56Å; Y179-M204 HydrophobicContact CE1-SD 4.09Å; Q183-M204 HydrophobicContact CB-CE 4.13Å; Q183-M204 HydrophobicContact CG-CE 4.23Å; G186-M204 PolarHBondContact N-O 3.18Å; K187-M204 HydrophobicContact CB-CB 4.11Å; K187-M204 HydrophobicContact CB-CG 4.21Å; K187-M204 PolarHBondContact O-N 3.49Å; M204-T208 WeakPolarHBondContact CA-O 3.46Å; M204-A209 HydrophobicContact SD-CB 4.03Å
205Y96.6Very high92.7Very high89 Ų8949.9 Ų49.935%0.34926%0.264SS..EExtended strand (participates in β ladder)trans-151.5132.4167.6179-103.1000110.2D185 K207 T208 Y210 V248 T249D185-Y205 HydrophobicContact CB-CD2 4.11Å; D185-Y205 WeakPolarHBondContact OD1-CA 3.49Å; Y205-K207 PolarHBondContact O-N 2.69Å; Y205-T208 PolarHBondContact N-O 3.41Å; Y205-T208 PolarHBondContact O-N 3.04Å; Y205-Y210 HydrophobicContact CD1-CE2 4.24Å; Y205-V248 VanDerWaalsContact CB-CG1 3.45Å; Y205-V248 HydrophobicContact CD1-CB 4.27Å; Y205-V248 HydrophobicContact CD1-CG1 4.03Å; Y205-V248 HydrophobicContact CD1-CG2 3.25Å; Y205-V248 HydrophobicContact CD2-CG1 4.41Å; Y205-V248 HydrophobicContact CD2-CG2 4.49Å; Y205-V248 HydrophobicContact CE1-CG2 3.51Å; Y205-V248 HydrophobicContact CG-CB 4.39Å; Y205-V248 HydrophobicContact CG-CG1 3.72Å; Y205-V248 HydrophobicContact CG-CG2 3.78Å; Y205-T249 HydrophobicContact CD2-CG2 3.54Å; Y205-T249 HydrophobicContact CE2-CG2 4.22Å; Y205-T249 HydrophobicContact CG-CG2 4.29Å
206G94.4Very high92.9Very high49 Ų4948.7 Ų48.751%0.50526%0.258SS..THydrogen-bonded Turntrans56.236.8-177.200000112.2D185 T208D185-G206 PolarHBondContact OD1-N 3.28Å; G206-T208 PolarHBondContact O-N 3.42Å; G206-T208 VanDerWaalsContact O-N 3.16Å; G206-T208 PolarHBondContact O-OG1 3.33Å
207K93Very high93.4Very high152 Ų15246.8 Ų46.866%0.66124%0.235SC*.THydrogen-bonded Turntrans59.218.2-173.7-53.3-179-179.51790115.2Y179 Y205Y179-K207 WeakPolarHBondContact CE1-O 3.36Å; Y205-K207 PolarHBondContact O-N 2.69Å
208T95.3Very high93.5Very high70 Ų7052.6 Ų52.643%0.42926%0.255SS..EExtended strand (participates in β ladder)trans-115138.4177.3-55.60000109.9M204 Y205 G206 Y210M204-T208 WeakPolarHBondContact CA-O 3.46Å; Y205-T208 PolarHBondContact N-O 3.41Å; Y205-T208 PolarHBondContact O-N 3.04Å; G206-T208 PolarHBondContact O-N 3.42Å; G206-T208 VanDerWaalsContact O-N 3.16Å; G206-T208 PolarHBondContact O-OG1 3.33Å; T208-Y210 HydrophobicContact CG2-CE2 4.19Å; T208-Y210 WeakPolarHBondContact O-CD2 3.44Å
209A95.5Very high93Very high14 Ų1454.1 Ų54.112%0.11627%0.266CS..EExtended strand (participates in β ladder)trans-83.4125.9175.400000110.9E175 Y179 M203 M204E175-A209 HydrophobicContact CG-CB 4.01Å; Y179-A209 HydrophobicContact CE2-CB 4.19Å; Y179-A209 PolarHBondContact OH-N 2.98Å; M203-A209 CarbonylContact O-C 3.48Å; M203-A209 WeakPolarHBondContact O-CA 3.1Å; M204-A209 HydrophobicContact SD-CB 4.03Å
210Y96.3Very high92.5Very high86 Ų8653.7 Ų53.734%0.33727%0.268SS..EExtended strand (participates in β ladder)trans-108.8146.4173.9-69.2-97.9000109.9S202 M203 Y205 T208 V248S202-Y210 CarbonylContact C-O 3.56Å; S202-Y210 VanDerWaalsContact CA-O 3.31Å; S202-Y210 WeakPolarHBondContact CA-O 3.34Å; M203-Y210 PolarHBondContact N-O 3.11Å; M203-Y210 PolarHBondContact O-N 2.69Å; Y205-Y210 HydrophobicContact CD1-CE2 4.24Å; T208-Y210 HydrophobicContact CG2-CE2 4.19Å; T208-Y210 WeakPolarHBondContact O-CD2 3.44Å; Y210-V248 HydrophobicContact CD2-CG1 4.09Å; Y210-V248 HydrophobicContact CE2-CG1 4.33Å; Y210-V248 HydrophobicContact CG-CG1 4.23Å
211H95.6Very high92.1Very high47 Ų4753.7 Ų53.722%0.21827%0.267CS..EExtended strand (participates in β ladder)trans-129124.1-179.7-54.1-79.3000110.8R171 E175 L201 S202R171-H211 VanDerWaalsContact CZ-CD2 3.49Å; R171-H211 PolarHBondContact NE-CD2 3.47Å; R171-H211 VanDerWaalsContact NE-CD2 3.32Å; R171-H211 PolarHBondContact NE-NE2 3.38Å; R171-H211 PolarHBondContact NH2-CD2 3.43Å; R171-H211 VanDerWaalsContact NH2-CD2 3.33Å; E175-H211 WeakPolarHBondContact CG-NE2 3.02Å; E175-H211 IonicContact OE1-CD2 2.61Å; E175-H211 IonicContact OE1-CE1 3.55Å; E175-H211 IonicContact OE1-NE2 3.49Å; E175-H211 PolarHBondContact OE1-NE2 3.48Å; L201-H211 CarbonylContact O-C 3.54Å; L201-H211 WeakPolarHBondContact O-CA 3.47Å; S202-H211 WeakPolarHBondContact CB-ND1 3.38Å; S202-H211 PolarHBondContact OG-ND1 2.83Å
212Y94.8Very high91.8Very high46 Ų4654.2 Ų54.218%0.1827%0.27CS..EExtended strand (participates in β ladder)trans-114.8134.8-179.4-59.4-89.9000109.2A200 L201 M203 L247 V248A200-Y212 CarbonylContact C-O 3.58Å; A200-Y212 WeakPolarHBondContact CA-O 3.24Å; L201-Y212 PolarHBondContact N-O 3.08Å; L201-Y212 PolarHBondContact O-N 3.42Å; M203-Y212 HydrophobicContact CG-CD2 4.32Å; M203-Y212 HydrophobicContact CG-CE2 3.78Å; M203-Y212 HydrophobicContact SD-CD2 4.28Å; M203-Y212 HydrophobicContact SD-CE2 3.6Å; Y212-L247 HydrophobicContact CD1-CD2 3.67Å; Y212-L247 HydrophobicContact CD2-CD2 3.36Å; Y212-L247 HydrophobicContact CE1-CD2 3.77Å; Y212-L247 HydrophobicContact CE2-CD2 3.48Å; Y212-L247 VanDerWaalsContact CE2-CD2 3.48Å; Y212-L247 HydrophobicContact CG-CD2 3.45Å; Y212-L247 VanDerWaalsContact CG-CD2 3.45Å; Y212-V248 WeakPolarHBondContact OH-CB 3.33Å; Y212-V248 PolarHBondContact OH-N 3.22Å
213Q93.9Very high91.6Very high59 Ų5955 Ų5528%0.27628%0.277SS..EExtended strand (participates in β ladder)trans-82138.1177-172.61772.100109.8Q215 P225Q213-Q215 VanDerWaalsContact CD-NE2 3.32Å; Q213-Q215 HydrophobicContact CG-CG 3.99Å; Q213-P225 WeakPolarHBondContact O-CD 3.47Å
214I94.7Very high91.3Very high0 Ų055.9 Ų55.90%028%0.281CS..EExtended strand (participates in β ladder)trans-117.3129.6168.6-58.9166.2000106.8S198 F199 L201 L222 A223 M224 L233 L236S198-I214 WeakPolarHBondContact CA-O 3.49Å; S198-I214 PolarHBondContact OG-O 3.25Å; F199-I214 HydrophobicContact CB-CB 4.14Å; F199-I214 HydrophobicContact CB-CD1 4.5Å; F199-I214 PolarHBondContact N-O 2.9Å; F199-I214 PolarHBondContact O-N 3.01Å; L201-I214 HydrophobicContact CB-CD1 3.94Å; I214-L222 HydrophobicContact CG2-CB 4.23Å; I214-L222 HydrophobicContact CG2-CD2 4.19Å; I214-A223 WeakPolarHBondContact CA-O 3.39Å; I214-M224 HydrophobicContact CG1-CG 4.2Å; I214-L233 HydrophobicContact CD1-CD2 4.09Å; I214-L233 HydrophobicContact CG2-CD2 4.12Å; I214-L236 HydrophobicContact CD1-CD1 4.2Å; I214-L236 HydrophobicContact CD1-CD2 3.81Å; I214-L236 HydrophobicContact CG1-CD1 4.26Å; I214-L236 HydrophobicContact CG2-CD1 3.87Å
215Q91.8Very high90.8Very high101 Ų10160 Ų6047%0.47231%0.308SS..EExtended strand (participates in β ladder)trans-121.3144.7179.2-65-178-0.300110Q213 L222 A223Q213-Q215 VanDerWaalsContact CD-NE2 3.32Å; Q213-Q215 HydrophobicContact CG-CG 3.99Å; Q215-L222 WeakPolarHBondContact O-CA 3.41Å; Q215-A223 PolarHBondContact N-O 3.3Å; Q215-A223 PolarHBondContact O-N 2.97Å
216Q89.9Confident90Very high76 Ų7665 Ų6536%0.35533%0.334SS..EExtended strand (participates in β ladder)trans-89.4128.1166.6-161.7175.333.800109.8N197 G220 K221 L222N197-Q216 HydrophobicContact CB-CB 3.88Å; N197-Q216 VanDerWaalsContact CB-OE1 3.24Å; N197-Q216 PolarHBondContact ND2-OE1 2.78Å; N197-Q216 WeakPolarHBondContact O-CB 3.42Å; N197-Q216 PolarHBondContact O-N 2.83Å; Q216-G220 VanDerWaalsContact CG-C 3.45Å; Q216-G220 WeakPolarHBondContact CG-O 3.29Å; Q216-G220 PolarHBondContact NE2-O 3.02Å; Q216-K221 CarbonylContact C-O 3.55Å; Q216-K221 VanDerWaalsContact CA-O 3.32Å; Q216-K221 WeakPolarHBondContact CA-O 2.91Å; Q216-L222 HydrophobicContact CB-CD2 3.83Å; Q216-L222 HydrophobicContact CG-CD2 4.12Å
217D85.1Confident89.6Confident53 Ų5363.6 Ų63.628%0.28332%0.32SS..  trans-81.9176175.576.711.6000112.1S219 G220 K221 K229D217-S219 VanDerWaalsContact CG-OG 3.26Å; D217-S219 PolarHBondContact O-N 3.39Å; D217-S219 VanDerWaalsContact O-N 3.15Å; D217-S219 VanDerWaalsContact OD1-CA 3.32Å; D217-S219 WeakPolarHBondContact OD1-CA 3.16Å; D217-S219 WeakPolarHBondContact OD1-CB 3.42Å; D217-S219 PolarHBondContact OD1-N 2.54Å; D217-S219 PolarHBondContact OD1-OG 2.77Å; D217-S219 PolarHBondContact OD2-OG 2.89Å; D217-G220 PolarHBondContact O-N 3.41Å; D217-G220 PolarHBondContact OD1-N 2.69Å; D217-K221 PolarHBondContact N-O 3.41Å; D217-K221 PolarHBondContact OD1-N 3.1Å; D217-K229 WeakPolarHBondContact OD2-CE 3.36Å; D217-K229 IonicContact OD2-NZ 3.9Å; D217-K229 PolarHBondContact OD2-NZ 2.98Å
218K82.7Confident89.4Confident228 Ų22856.5 Ų56.599%0.99129%0.29SS*.THydrogen-bonded Turntrans-62-20.4179.2-64.3-177.7-178.8178.90113.7G220K218-G220 VanDerWaalsContact C-N 3.26Å
219S79.1Confident89.1Confident38 Ų3856.1 Ų56.127%0.26628%0.282SS..THydrogen-bonded Turntrans-84.5-3175.476.10000112.6D217 K221D217-S219 VanDerWaalsContact CG-OG 3.26Å; D217-S219 PolarHBondContact O-N 3.39Å; D217-S219 VanDerWaalsContact O-N 3.15Å; D217-S219 VanDerWaalsContact OD1-CA 3.32Å; D217-S219 WeakPolarHBondContact OD1-CA 3.16Å; D217-S219 WeakPolarHBondContact OD1-CB 3.42Å; D217-S219 PolarHBondContact OD1-N 2.54Å; D217-S219 PolarHBondContact OD1-OG 2.77Å; D217-S219 PolarHBondContact OD2-OG 2.89Å; S219-K221 VanDerWaalsContact C-N 3.33Å
220G83.8Confident88.8Confident15 Ų1555.6 Ų55.616%0.15528%0.277CS..SBendtrans84.91.6-176.100000113.8M66 Q216 D217 K218M66-G220 WeakPolarHBondContact CE-O 3.38Å; Q216-G220 VanDerWaalsContact CG-C 3.45Å; Q216-G220 WeakPolarHBondContact CG-O 3.29Å; Q216-G220 PolarHBondContact NE2-O 3.02Å; D217-G220 PolarHBondContact O-N 3.41Å; D217-G220 PolarHBondContact OD1-N 2.69Å; K218-G220 VanDerWaalsContact C-N 3.26Å
221K86.9Confident88.2Confident4 Ų453.1 Ų53.12%0.01727%0.27CS..  trans-82144.5-179.3-70.8-176.5-175-790111.1K64 M66 Q216 D217 S219 K229 F230 D231K64-K221 WeakPolarHBondContact O-CE 3.46Å; K64-K221 PolarHBondContact O-NZ 3.45Å; M66-K221 HydrophobicContact CE-CG 3.91Å; Q216-K221 CarbonylContact C-O 3.55Å; Q216-K221 VanDerWaalsContact CA-O 3.32Å; Q216-K221 WeakPolarHBondContact CA-O 2.91Å; D217-K221 PolarHBondContact N-O 3.41Å; D217-K221 PolarHBondContact OD1-N 3.1Å; S219-K221 VanDerWaalsContact C-N 3.33Å; K221-K229 HydrophobicContact CB-CB 4.29Å; K221-K229 HydrophobicContact CD-CB 4.07Å; K221-K229 HydrophobicContact CD-CD 4.2Å; K221-F230 CarbonylContact C-O 3.57Å; K221-F230 VanDerWaalsContact CA-O 3.31Å; K221-F230 WeakPolarHBondContact CA-O 3.2Å; K221-F230 WeakPolarHBondContact CB-O 3.42Å; K221-D231 IonicContact NZ-OD1 3.06Å; K221-D231 PolarHBondContact NZ-OD1 3.43Å
222L90.2Very high87.8Confident11 Ų1151.8 Ų51.86%0.05827%0.265CS..EExtended strand (participates in β ladder)trans-97.8133.2179.9-66162.2000110.5F199 I214 Q215 Q216 F230 L233F199-L222 HydrophobicContact CD2-CD2 4.05Å; F199-L222 HydrophobicContact CE2-CD2 3.85Å; I214-L222 HydrophobicContact CG2-CB 4.23Å; I214-L222 HydrophobicContact CG2-CD2 4.19Å; Q215-L222 WeakPolarHBondContact O-CA 3.41Å; Q216-L222 HydrophobicContact CB-CD2 3.83Å; Q216-L222 HydrophobicContact CG-CD2 4.12Å; L222-F230 PolarHBondContact N-O 3.11Å; L222-F230 PolarHBondContact O-N 2.85Å; L222-L233 HydrophobicContact CD1-CB 4.48Å; L222-L233 HydrophobicContact CD1-CD2 4.01Å; L222-L233 HydrophobicContact CD1-CG 3.81Å
223A91.3Very high87.6Confident18 Ų1849.8 Ų49.815%0.14926%0.257CS..EExtended strand (participates in β ladder)trans-150.3156.2175.600000111.6I214 Q215 T228 K229I214-A223 WeakPolarHBondContact CA-O 3.39Å; Q215-A223 PolarHBondContact N-O 3.3Å; Q215-A223 PolarHBondContact O-N 2.97Å; A223-T228 WeakPolarHBondContact CB-O 3.23Å; A223-K229 HydrophobicContact CB-CG 4.23Å
224M90.4Very high87.4Confident17 Ų1747.1 Ų47.18%0.08425%0.245CC..  trans-75.6158.9158.8-64.9-171.6-57.700109.6I214 E226 G227 L240 D245 L247I214-M224 HydrophobicContact CG1-CG 4.2Å; M224-E226 PolarHBondContact O-N 3.21Å; M224-G227 WeakPolarHBondContact O-CA 3.36Å; M224-G227 PolarHBondContact O-N 3.15Å; M224-L240 HydrophobicContact CE-CD1 3.93Å; M224-L240 HydrophobicContact CE-CD2 3.59Å; M224-L240 HydrophobicContact CE-CG 4.42Å; M224-L240 HydrophobicContact SD-CD1 3.99Å; M224-D245 HydrophobicContact CE-CB 4.44Å; M224-D245 VanDerWaalsContact CE-O 3.23Å; M224-D245 WeakPolarHBondContact CE-O 3.46Å; M224-L247 HydrophobicContact CE-CD2 4.23Å; M224-L247 HydrophobicContact CE-CG 4.21Å; M224-L247 HydrophobicContact SD-CD2 3.78Å; M224-L247 HydrophobicContact SD-CG 4.38Å
225P85.4Confident87.2Confident86 Ų8648.1 Ų48.156%0.55825%0.249SC*.THydrogen-bonded Turntrans-49.7124.6173.5-2834.3000111.6Q213 G227Q213-P225 WeakPolarHBondContact O-CD 3.47Å; P225-G227 PolarHBondContact O-N 3.34Å
226E80.3Confident87.2Confident194 Ų19443.4 Ų43.491%0.90723%0.227SC*.THydrogen-bonded Turntrans598.1-176.1-53.8-175.1174.900116M224M224-E226 PolarHBondContact O-N 3.21Å
227G84.8Confident87.3Confident20 Ų2039.8 Ų39.821%0.20621%0.21CC..  trans-87.3-178.4-176.500000114.2M224 P225M224-G227 WeakPolarHBondContact O-CA 3.36Å; M224-G227 PolarHBondContact O-N 3.15Å; P225-G227 PolarHBondContact O-N 3.34Å
228T88.8Confident87.5Confident4 Ų437.8 Ų37.83%0.02520%0.199CC..  trans-69.8143.2176.9-55.60000111.6R42 F116 A223 F230 Y239 D245R42-T228 WeakPolarHBondContact O-CG2 3.32Å; F116-T228 HydrophobicContact CE1-CG2 3.8Å; F116-T228 HydrophobicContact CZ-CG2 3.51Å; A223-T228 WeakPolarHBondContact CB-O 3.23Å; T228-F230 HydrophobicContact CG2-CE1 4.08Å; T228-F230 HydrophobicContact CG2-CE2 3.75Å; T228-F230 HydrophobicContact CG2-CZ 3.37Å; T228-F230 VanDerWaalsContact O-CD2 3.32Å; T228-F230 WeakPolarHBondContact O-CD2 3.46Å; T228-F230 WeakPolarHBondContact O-CE2 3.36Å; T228-Y239 HydrophobicContact CG2-CE1 4.37Å; T228-Y239 PolarHBondContact OG1-OH 2.92Å; T228-D245 VanDerWaalsContact CB-OD2 3.27Å; T228-D245 WeakPolarHBondContact CB-OD2 3.33Å; T228-D245 PolarHBondContact N-OD2 2.88Å; T228-D245 PolarHBondContact OG1-OD2 2.93Å
229K89.3Confident87.9Confident61 Ų6127 Ų2727%0.26515%0.153SC..BIsolated β-bridgetrans-94.4138.3-179-60.6-172.5178.2-164.60113.2R42 L44 E63 D217 K221 A223R42-K229 PolarHBondContact O-N 3.12Å; R42-K229 VanDerWaalsContact O-N 3.12Å; L44-K229 PolarHBondContact N-O 2.84Å; E63-K229 IonicContact OE1-NZ 2.9Å; D217-K229 WeakPolarHBondContact OD2-CE 3.36Å; D217-K229 IonicContact OD2-NZ 3.9Å; D217-K229 PolarHBondContact OD2-NZ 2.98Å; K221-K229 HydrophobicContact CB-CB 4.29Å; K221-K229 HydrophobicContact CD-CB 4.07Å; K221-K229 HydrophobicContact CD-CD 4.2Å; A223-K229 HydrophobicContact CB-CG 4.23Å
230F88.8Confident88.6Confident3 Ų325.3 Ų25.31%0.01314%0.14CC..BIsolated β-bridgetrans-133.4157.2-178.5-58.1-81.2000112.3L44 F116 M119 K221 L222 T228 Q235 L236 Y239L44-F230 HydrophobicContact CB-CD1 4.2Å; L44-F230 HydrophobicContact CD2-CD1 4.16Å; F116-F230 HydrophobicContact CD1-CE1 4.48Å; F116-F230 AromaticContact CE1-CE1 3.89Å; F116-F230 HydrophobicContact CE1-CE1 3.89Å; F116-F230 HydrophobicContact CE1-CZ 4.27Å; M119-F230 HydrophobicContact CE-CE1 4.48Å; M119-F230 HydrophobicContact SD-CE1 4.39Å; K221-F230 CarbonylContact C-O 3.57Å; K221-F230 VanDerWaalsContact CA-O 3.31Å; K221-F230 WeakPolarHBondContact CA-O 3.2Å; K221-F230 WeakPolarHBondContact CB-O 3.42Å; L222-F230 PolarHBondContact N-O 3.11Å; L222-F230 PolarHBondContact O-N 2.85Å; T228-F230 HydrophobicContact CG2-CE1 4.08Å; T228-F230 HydrophobicContact CG2-CE2 3.75Å; T228-F230 HydrophobicContact CG2-CZ 3.37Å; T228-F230 VanDerWaalsContact O-CD2 3.32Å; T228-F230 WeakPolarHBondContact O-CD2 3.46Å; T228-F230 WeakPolarHBondContact O-CE2 3.36Å; F230-Q235 HydrophobicContact CB-CB 4.12Å; F230-Q235 HydrophobicContact CD1-CB 3.96Å; F230-Q235 HydrophobicContact CG-CB 4.37Å; F230-L236 HydrophobicContact CB-CB 4.15Å; F230-L236 HydrophobicContact CD2-CB 3.61Å; F230-L236 HydrophobicContact CD2-CD1 4Å; F230-L236 HydrophobicContact CD2-CG 3.83Å; F230-L236 HydrophobicContact CE2-CB 4.24Å; F230-L236 HydrophobicContact CE2-CG 4.17Å; F230-L236 HydrophobicContact CG-CB 3.89Å; F230-Y239 HydrophobicContact CE1-CD1 4.23Å; F230-Y239 HydrophobicContact CE1-CD2 4.2Å; F230-Y239 AromaticContact CE1-CG 3.78Å; F230-Y239 HydrophobicContact CE1-CG 3.78Å; F230-Y239 AromaticContact CE2-CD1 3.89Å; F230-Y239 HydrophobicContact CE2-CD1 3.89Å; F230-Y239 HydrophobicContact CE2-CE1 4.36Å; F230-Y239 HydrophobicContact CE2-CG 4.28Å; F230-Y239 VanDerWaalsContact CZ-CB 3.48Å; F230-Y239 AromaticContact CZ-CD1 3.29Å; F230-Y239 HydrophobicContact CZ-CD1 3.29Å; F230-Y239 AromaticContact CZ-CD2 3.9Å; F230-Y239 HydrophobicContact CZ-CD2 3.9Å; F230-Y239 AromaticContact CZ-CE1 3.83Å; F230-Y239 HydrophobicContact CZ-CE1 3.83Å; F230-Y239 HydrophobicContact CZ-CE2 4.42Å; F230-Y239 AromaticContact CZ-CG 3.28Å; F230-Y239 HydrophobicContact CZ-CG 3.28Å
231D84.4Confident88.9Confident35 Ų3527.6 Ų27.619%0.18715%0.146CC..SBendtrans-85.4-31.1177.8-55.9-36000111.2M66 K221M66-D231 HydrophobicContact SD-CB 4.49Å; K221-D231 IonicContact NZ-OD1 3.06Å; K221-D231 PolarHBondContact NZ-OD1 3.43Å
232T88.4Confident89.1Confident19 Ų1930.9 Ų30.912%0.11716%0.162CC..SBendtrans-130.7157.817975.20000113.1A155 W234 Q235 L236A155-T232 WeakPolarHBondContact O-CG2 3.23Å; T232-W234 PolarHBondContact O-N 2.91Å; T232-Q235 VanDerWaalsContact N-OE1 3.16Å; T232-Q235 PolarHBondContact O-N 2.74Å; T232-Q235 WeakPolarHBondContact OG1-CG 3.44Å; T232-Q235 PolarHBondContact OG1-N 2.99Å; T232-L236 PolarHBondContact O-N 3.06Å
233L89.9Confident89Confident3 Ų334.2 Ų34.22%0.01618%0.176CC..Hα-helixtrans-61.2-34.9172.8-78.2175.8000112.2H159 W164 V190 F199 I214 L222 L236 V237H159-L233 HydrophobicContact CB-CB 4.06Å; H159-L233 HydrophobicContact CB-CD1 4.21Å; W164-L233 HydrophobicContact CH2-CB 3.99Å; W164-L233 HydrophobicContact CZ3-CB 4.46Å; V190-L233 HydrophobicContact CG1-CD1 4.29Å; F199-L233 HydrophobicContact CB-CD2 4.36Å; F199-L233 HydrophobicContact CD1-CD1 3.72Å; F199-L233 HydrophobicContact CD2-CD1 3.99Å; F199-L233 HydrophobicContact CD2-CD2 3.89Å; F199-L233 HydrophobicContact CD2-CG 4.28Å; F199-L233 HydrophobicContact CE1-CD1 3.68Å; F199-L233 HydrophobicContact CE2-CD1 3.97Å; F199-L233 HydrophobicContact CE2-CD2 4.37Å; F199-L233 HydrophobicContact CE2-CG 4.31Å; F199-L233 HydrophobicContact CG-CD1 3.87Å; F199-L233 HydrophobicContact CG-CD2 4.1Å; F199-L233 HydrophobicContact CZ-CD1 3.81Å; I214-L233 HydrophobicContact CD1-CD2 4.09Å; I214-L233 HydrophobicContact CG2-CD2 4.12Å; L222-L233 HydrophobicContact CD1-CB 4.48Å; L222-L233 HydrophobicContact CD1-CD2 4.01Å; L222-L233 HydrophobicContact CD1-CG 3.81Å; L233-L236 PolarHBondContact O-N 3.06Å; L233-V237 WeakPolarHBondContact O-CG2 3.49Å; L233-V237 PolarHBondContact O-N 2.9Å
234W89.9Confident88.8Confident4 Ų435.9 Ų35.92%0.01519%0.186CC..Hα-helixtrans-64.3-43.4178.8-174.713.6000111.3M123 Y127 I154 T157 M162 W164 T232 L236 V237 E238M123-W234 HydrophobicContact CE-CB 4.11Å; M123-W234 HydrophobicContact CE-CD2 3.45Å; M123-W234 VanDerWaalsContact CE-CD2 3.45Å; M123-W234 HydrophobicContact CE-CE3 3.94Å; M123-W234 HydrophobicContact CE-CG 3.53Å; M123-W234 HydrophobicContact CE-CZ2 4.37Å; Y127-W234 AromaticContact CD2-CH2 3.66Å; Y127-W234 HydrophobicContact CD2-CH2 3.66Å; Y127-W234 AromaticContact CD2-CZ3 3.76Å; Y127-W234 HydrophobicContact CD2-CZ3 3.76Å; Y127-W234 HydrophobicContact CE2-CZ3 4.48Å; Y127-W234 HydrophobicContact CG-CH2 4.26Å; I154-W234 HydrophobicContact CB-CZ3 4.31Å; I154-W234 HydrophobicContact CG1-CH2 4.3Å; I154-W234 HydrophobicContact CG1-CZ3 3.98Å; I154-W234 HydrophobicContact CG2-CE3 3.94Å; I154-W234 HydrophobicContact CG2-CZ3 3.91Å; T157-W234 HydrophobicContact CG2-CE3 4.17Å; T157-W234 HydrophobicContact CG2-CZ3 4.04Å; M162-W234 VanDerWaalsContact CE-CD1 3.5Å; M162-W234 HydrophobicContact CE-CD2 3.75Å; M162-W234 VanDerWaalsContact CE-CE2 3.49Å; M162-W234 HydrophobicContact CE-CG 3.78Å; M162-W234 HydrophobicContact CE-CZ2 4.1Å; M162-W234 VanDerWaalsContact CE-NE1 3.34Å; M162-W234 HydrophobicContact SD-CD2 4.01Å; M162-W234 HydrophobicContact SD-CE3 4.28Å; M162-W234 HydrophobicContact SD-CG 4.27Å; W164-W234 HydrophobicContact CZ2-CB 4.11Å; W164-W234 HydrophobicContact CZ2-CG 4.35Å; T232-W234 PolarHBondContact O-N 2.91Å; W234-L236 VanDerWaalsContact C-N 3.34Å; W234-L236 PolarHBondContact O-N 3.15Å; W234-V237 PolarHBondContact O-N 3.19Å; W234-E238 PolarHBondContact O-N 3.34Å
235Q89.5Confident88.7Confident20 Ų2036.9 Ų36.99%0.09319%0.191CC..Hα-helixtrans-58.2-46.7173.4-73170.9-9.400111.7L44 M119 M123 F230 T232 V237 E238 Y239L44-Q235 HydrophobicContact CD2-CB 4.14Å; L44-Q235 HydrophobicContact CD2-CG 3.92Å; M119-Q235 VanDerWaalsContact CE-C 3.42Å; M119-Q235 HydrophobicContact CE-CB 3.58Å; M119-Q235 HydrophobicContact CE-CG 4.01Å; M119-Q235 WeakPolarHBondContact CE-O 3.44Å; M123-Q235 HydrophobicContact CE-CG 3.88Å; M123-Q235 HydrophobicContact SD-CB 4.5Å; M123-Q235 HydrophobicContact SD-CG 3.91Å; F230-Q235 HydrophobicContact CB-CB 4.12Å; F230-Q235 HydrophobicContact CD1-CB 3.96Å; F230-Q235 HydrophobicContact CG-CB 4.37Å; T232-Q235 VanDerWaalsContact N-OE1 3.16Å; T232-Q235 PolarHBondContact O-N 2.74Å; T232-Q235 WeakPolarHBondContact OG1-CG 3.44Å; T232-Q235 PolarHBondContact OG1-N 2.99Å; Q235-V237 VanDerWaalsContact C-N 3.34Å; Q235-V237 PolarHBondContact O-N 2.82Å; Q235-E238 PolarHBondContact O-N 2.92Å; Q235-Y239 WeakPolarHBondContact O-CB 3.32Å; Q235-Y239 PolarHBondContact O-N 2.91Å
236L91.4Very high88.8Confident2 Ų236 Ų361%0.0120%0.198CC..Hα-helixtrans-58.2-45.7177.4-178.6154.8000111.6I214 F230 T232 L233 W234 Y239 L240I214-L236 HydrophobicContact CD1-CD1 4.2Å; I214-L236 HydrophobicContact CD1-CD2 3.81Å; I214-L236 HydrophobicContact CG1-CD1 4.26Å; I214-L236 HydrophobicContact CG2-CD1 3.87Å; F230-L236 HydrophobicContact CB-CB 4.15Å; F230-L236 HydrophobicContact CD2-CB 3.61Å; F230-L236 HydrophobicContact CD2-CD1 4Å; F230-L236 HydrophobicContact CD2-CG 3.83Å; F230-L236 HydrophobicContact CE2-CB 4.24Å; F230-L236 HydrophobicContact CE2-CG 4.17Å; F230-L236 HydrophobicContact CG-CB 3.89Å; T232-L236 PolarHBondContact O-N 3.06Å; L233-L236 PolarHBondContact O-N 3.06Å; W234-L236 VanDerWaalsContact C-N 3.34Å; W234-L236 PolarHBondContact O-N 3.15Å; L236-Y239 PolarHBondContact O-N 2.99Å; L236-L240 HydrophobicContact CD2-CD1 3.4Å; L236-L240 HydrophobicContact CD2-CG 4.26Å; L236-L240 HydrophobicContact CG-CD1 4.16Å; L236-L240 VanDerWaalsContact O-CG 3.29Å; L236-L240 WeakPolarHBondContact O-CG 3.3Å; L236-L240 PolarHBondContact O-N 3.42Å
237V92.3Very high89.3Confident0 Ų027.4 Ų27.40%016%0.159CC..Hα-helixtrans-63.1-46.7179.9167.50000111.8W164 F188 V190 L233 W234 Q235 Y239 L240 K241 L251W164-V237 HydrophobicContact CD2-CG1 4.38Å; W164-V237 HydrophobicContact CD2-CG2 4.26Å; W164-V237 HydrophobicContact CE3-CG2 4.12Å; W164-V237 HydrophobicContact CH2-CB 4.48Å; W164-V237 HydrophobicContact CH2-CG2 3.86Å; W164-V237 HydrophobicContact CZ2-CB 4.13Å; W164-V237 HydrophobicContact CZ2-CG1 4.39Å; W164-V237 HydrophobicContact CZ2-CG2 3.97Å; W164-V237 HydrophobicContact CZ3-CG2 3.93Å; F188-V237 HydrophobicContact CE2-CG1 3.58Å; F188-V237 HydrophobicContact CE2-CG2 4.3Å; F188-V237 HydrophobicContact CZ-CG1 3.55Å; V190-V237 HydrophobicContact CG2-CG2 3.95Å; L233-V237 WeakPolarHBondContact O-CG2 3.49Å; L233-V237 PolarHBondContact O-N 2.9Å; W234-V237 PolarHBondContact O-N 3.19Å; Q235-V237 VanDerWaalsContact C-N 3.34Å; Q235-V237 PolarHBondContact O-N 2.82Å; V237-Y239 VanDerWaalsContact C-N 3.31Å; V237-Y239 PolarHBondContact O-N 2.79Å; V237-L240 PolarHBondContact O-N 2.68Å; V237-L240 VanDerWaalsContact O-N 3.15Å; V237-K241 PolarHBondContact O-N 3.38Å; V237-K241 VanDerWaalsContact O-N 3.08Å; V237-L251 HydrophobicContact CG1-CD1 4.14Å
238E90.7Very high89.7Confident12 Ų1228.9 Ų28.96%0.05616%0.163CC..Hα-helixtrans-64.4-36.4179.1-70.1-51.8129.900112.5M119 M123 W234 Q235 K241M119-E238 HydrophobicContact CE-CB 4.23Å; M119-E238 HydrophobicContact CG-CB 3.95Å; M123-E238 HydrophobicContact CE-CG 4.37Å; M123-E238 HydrophobicContact CG-CB 4.09Å; M123-E238 HydrophobicContact CG-CG 3.76Å; M123-E238 HydrophobicContact SD-CB 4.33Å; M123-E238 HydrophobicContact SD-CG 4.3Å; W234-E238 PolarHBondContact O-N 3.34Å; Q235-E238 PolarHBondContact O-N 2.92Å; E238-K241 PolarHBondContact O-N 3.27Å; E238-K241 WeakPolarHBondContact OE1-CE 3.37Å; E238-K241 IonicContact OE1-NZ 3.63Å; E238-K241 PolarHBondContact OE1-NZ 3.38Å; E238-K241 WeakPolarHBondContact OE2-CD 3.47Å; E238-K241 IonicContact OE2-NZ 2.71Å; E238-K241 PolarHBondContact OE2-NZ 3.42Å
239Y90.6Very high90Very high2 Ų230.5 Ų30.51%0.00817%0.173CC..Hα-helixtrans-61.6-44.8171.9174.3-103.2000112.1V115 F116 M119 T228 F230 Q235 L236 V237 K241 M242 K243 D245V115-Y239 HydrophobicContact CG1-CD2 4.14Å; V115-Y239 HydrophobicContact CG1-CE2 4.14Å; F116-Y239 HydrophobicContact CD1-CD2 4.33Å; F116-Y239 AromaticContact CE1-CD2 3.86Å; F116-Y239 HydrophobicContact CE1-CD2 3.86Å; F116-Y239 AromaticContact CE1-CE2 3.87Å; F116-Y239 HydrophobicContact CE1-CE2 3.87Å; F116-Y239 HydrophobicContact CZ-CE2 4.33Å; M119-Y239 VanDerWaalsContact SD-CB 3.58Å; M119-Y239 HydrophobicContact SD-CD2 4.41Å; M119-Y239 HydrophobicContact SD-CG 4.49Å; T228-Y239 HydrophobicContact CG2-CE1 4.37Å; T228-Y239 PolarHBondContact OG1-OH 2.92Å; F230-Y239 HydrophobicContact CE1-CD1 4.23Å; F230-Y239 HydrophobicContact CE1-CD2 4.2Å; F230-Y239 AromaticContact CE1-CG 3.78Å; F230-Y239 HydrophobicContact CE1-CG 3.78Å; F230-Y239 AromaticContact CE2-CD1 3.89Å; F230-Y239 HydrophobicContact CE2-CD1 3.89Å; F230-Y239 HydrophobicContact CE2-CE1 4.36Å; F230-Y239 HydrophobicContact CE2-CG 4.28Å; F230-Y239 VanDerWaalsContact CZ-CB 3.48Å; F230-Y239 AromaticContact CZ-CD1 3.29Å; F230-Y239 HydrophobicContact CZ-CD1 3.29Å; F230-Y239 AromaticContact CZ-CD2 3.9Å; F230-Y239 HydrophobicContact CZ-CD2 3.9Å; F230-Y239 AromaticContact CZ-CE1 3.83Å; F230-Y239 HydrophobicContact CZ-CE1 3.83Å; F230-Y239 HydrophobicContact CZ-CE2 4.42Å; F230-Y239 AromaticContact CZ-CG 3.28Å; F230-Y239 HydrophobicContact CZ-CG 3.28Å; Q235-Y239 WeakPolarHBondContact O-CB 3.32Å; Q235-Y239 PolarHBondContact O-N 2.91Å; L236-Y239 PolarHBondContact O-N 2.99Å; V237-Y239 VanDerWaalsContact C-N 3.31Å; V237-Y239 PolarHBondContact O-N 2.79Å; Y239-K241 VanDerWaalsContact C-N 3.28Å; Y239-K241 PolarHBondContact O-N 3.16Å; Y239-M242 WeakPolarHBondContact O-CA 3.27Å; Y239-M242 WeakPolarHBondContact O-CB 3.43Å; Y239-M242 PolarHBondContact O-N 3.38Å; Y239-K243 HydrophobicContact CE2-CB 4.24Å; Y239-K243 HydrophobicContact CE2-CD 4.25Å; Y239-K243 PolarHBondContact O-N 2.92Å; Y239-K243 WeakPolarHBondContact OH-CD 3.45Å; Y239-K243 WeakPolarHBondContact OH-CE 3.25Å; Y239-K243 PolarHBondContact OH-NZ 3.2Å; Y239-D245 HydrophobicContact CE1-CB 3.58Å; Y239-D245 WeakPolarHBondContact CE1-OD2 3.48Å; Y239-D245 PolarHBondContact OH-OD1 3.35Å
240L92.6Very high90.3Very high1 Ų130.1 Ų30.11%0.00518%0.176CC..Hα-helixtrans-71.8-18.6-177.1-66.9177.8000113.9L201 M224 L236 V237 K243 D245 L247 V250 L251L201-L240 HydrophobicContact CD2-CD1 3.65Å; M224-L240 HydrophobicContact CE-CD1 3.93Å; M224-L240 HydrophobicContact CE-CD2 3.59Å; M224-L240 HydrophobicContact CE-CG 4.42Å; M224-L240 HydrophobicContact SD-CD1 3.99Å; L236-L240 HydrophobicContact CD2-CD1 3.4Å; L236-L240 HydrophobicContact CD2-CG 4.26Å; L236-L240 HydrophobicContact CG-CD1 4.16Å; L236-L240 VanDerWaalsContact O-CG 3.29Å; L236-L240 WeakPolarHBondContact O-CG 3.3Å; L236-L240 PolarHBondContact O-N 3.42Å; V237-L240 PolarHBondContact O-N 2.68Å; V237-L240 VanDerWaalsContact O-N 3.15Å; L240-K243 WeakPolarHBondContact CA-O 3.48Å; L240-D245 HydrophobicContact CD2-CB 3.93Å; L240-L247 HydrophobicContact CB-CD1 3.92Å; L240-L247 HydrophobicContact CD1-CD1 3.97Å; L240-L247 HydrophobicContact CD2-CD1 4Å; L240-L247 HydrophobicContact CD2-CG 4.28Å; L240-L247 HydrophobicContact CG-CD1 4.18Å; L240-V250 WeakPolarHBondContact O-CA 3.5Å; L240-L251 HydrophobicContact CB-CD1 3.59Å; L240-L251 HydrophobicContact CB-CG 3.76Å; L240-L251 HydrophobicContact CD1-CD1 4.49Å; L240-L251 PolarHBondContact O-N 3.32Å
241K91.6Very high90.6Very high63 Ų6330.3 Ų30.327%0.27418%0.177SC..Hα-helixtrans-67.5-25.8165.3-70.4176.9179.6171.60112.7V237 E238 Y239 L251V237-K241 PolarHBondContact O-N 3.38Å; V237-K241 VanDerWaalsContact O-N 3.08Å; E238-K241 PolarHBondContact O-N 3.27Å; E238-K241 WeakPolarHBondContact OE1-CE 3.37Å; E238-K241 IonicContact OE1-NZ 3.63Å; E238-K241 PolarHBondContact OE1-NZ 3.38Å; E238-K241 WeakPolarHBondContact OE2-CD 3.47Å; E238-K241 IonicContact OE2-NZ 2.71Å; E238-K241 PolarHBondContact OE2-NZ 3.42Å; Y239-K241 VanDerWaalsContact C-N 3.28Å; Y239-K241 PolarHBondContact O-N 3.16Å; K241-L251 HydrophobicContact CB-CB 4.44Å; K241-L251 HydrophobicContact CG-CB 3.76Å
242M89.6Confident91Very high74 Ų7430.4 Ų30.437%0.36519%0.186SC..Hα-helixtrans-99.3-37.2-177.1-60.4-174.57300113.1V115 K118 M119 Y239V115-M242 HydrophobicContact CG1-CB 4.41Å; V115-M242 HydrophobicContact CG1-CE 4.47Å; V115-M242 HydrophobicContact CG1-SD 4.44Å; K118-M242 HydrophobicContact CB-CE 3.79Å; K118-M242 HydrophobicContact CD-CE 4.3Å; M119-M242 HydrophobicContact CB-SD 3.92Å; Y239-M242 WeakPolarHBondContact O-CA 3.27Å; Y239-M242 WeakPolarHBondContact O-CB 3.43Å; Y239-M242 PolarHBondContact O-N 3.38Å
243K89Confident91.1Very high81 Ų8135.5 Ų35.535%0.35221%0.208SC..  trans-137.8128.4-176.5-177173.9160.4-146.10110Y239 L240 D245Y239-K243 HydrophobicContact CE2-CB 4.24Å; Y239-K243 HydrophobicContact CE2-CD 4.25Å; Y239-K243 PolarHBondContact O-N 2.92Å; Y239-K243 WeakPolarHBondContact OH-CD 3.45Å; Y239-K243 WeakPolarHBondContact OH-CE 3.25Å; Y239-K243 PolarHBondContact OH-NZ 3.2Å; L240-K243 WeakPolarHBondContact CA-O 3.48Å; K243-D245 IonicContact NZ-OD1 3.9Å; K243-D245 PolarHBondContact NZ-OD1 2.87Å; K243-D245 PolarHBondContact O-N 3.2Å
244P87.4Confident91.2Very high53 Ų5336.5 Ų36.534%0.34422%0.217SC..  trans-68.7-32.5-173.125.7-33.5000113.3G246 L247 V250P244-G246 VanDerWaalsContact C-N 3.29Å; P244-G246 PolarHBondContact O-N 3.41Å; P244-G246 VanDerWaalsContact O-N 3.11Å; P244-L247 HydrophobicContact CB-CB 4.17Å; P244-L247 WeakPolarHBondContact O-CB 3.31Å; P244-L247 WeakPolarHBondContact O-CG 3.2Å; P244-L247 PolarHBondContact O-N 2.96Å; P244-V250 HydrophobicContact CB-CG1 4.29Å; P244-V250 HydrophobicContact CG-CG1 4.42Å
245D87.9Confident91.3Very high37 Ų3737 Ų3720%0.19822%0.221CC..THydrogen-bonded Turntrans4744.2173.2-146.951.9000115.2M224 T228 Y239 L240 K243M224-D245 HydrophobicContact CE-CB 4.44Å; M224-D245 VanDerWaalsContact CE-O 3.23Å; M224-D245 WeakPolarHBondContact CE-O 3.46Å; T228-D245 VanDerWaalsContact CB-OD2 3.27Å; T228-D245 WeakPolarHBondContact CB-OD2 3.33Å; T228-D245 PolarHBondContact N-OD2 2.88Å; T228-D245 PolarHBondContact OG1-OD2 2.93Å; Y239-D245 HydrophobicContact CE1-CB 3.58Å; Y239-D245 WeakPolarHBondContact CE1-OD2 3.48Å; Y239-D245 PolarHBondContact OH-OD1 3.35Å; L240-D245 HydrophobicContact CD2-CB 3.93Å; K243-D245 IonicContact NZ-OD1 3.9Å; K243-D245 PolarHBondContact NZ-OD1 2.87Å; K243-D245 PolarHBondContact O-N 3.2Å
246G87Confident91.2Very high69 Ų6939.9 Ų39.971%0.71124%0.24SC*.THydrogen-bonded Turntrans99.9-8.8-177.100000114.5P244P244-G246 VanDerWaalsContact C-N 3.29Å; P244-G246 PolarHBondContact O-N 3.41Å; P244-G246 VanDerWaalsContact O-N 3.11Å
247L91.6Very high90.5Very high13 Ų1340.9 Ų40.97%0.06825%0.245CC..SBendtrans-70.5154.8166.2-60.9-177.7000111.7L201 M203 Y212 M224 L240 P244 T249 L251L201-L247 HydrophobicContact CD2-CD1 4.18Å; L201-L247 HydrophobicContact CD2-CD2 3.92Å; M203-L247 HydrophobicContact SD-CB 4.13Å; M203-L247 HydrophobicContact SD-CD1 4.06Å; M203-L247 HydrophobicContact SD-CD2 3.99Å; M203-L247 HydrophobicContact SD-CG 4.29Å; Y212-L247 HydrophobicContact CD1-CD2 3.67Å; Y212-L247 HydrophobicContact CD2-CD2 3.36Å; Y212-L247 HydrophobicContact CE1-CD2 3.77Å; Y212-L247 HydrophobicContact CE2-CD2 3.48Å; Y212-L247 VanDerWaalsContact CE2-CD2 3.48Å; Y212-L247 HydrophobicContact CG-CD2 3.45Å; Y212-L247 VanDerWaalsContact CG-CD2 3.45Å; M224-L247 HydrophobicContact CE-CD2 4.23Å; M224-L247 HydrophobicContact CE-CG 4.21Å; M224-L247 HydrophobicContact SD-CD2 3.78Å; M224-L247 HydrophobicContact SD-CG 4.38Å; L240-L247 HydrophobicContact CB-CD1 3.92Å; L240-L247 HydrophobicContact CD1-CD1 3.97Å; L240-L247 HydrophobicContact CD2-CD1 4Å; L240-L247 HydrophobicContact CD2-CG 4.28Å; L240-L247 HydrophobicContact CG-CD1 4.18Å; P244-L247 HydrophobicContact CB-CB 4.17Å; P244-L247 WeakPolarHBondContact O-CB 3.31Å; P244-L247 WeakPolarHBondContact O-CG 3.2Å; P244-L247 PolarHBondContact O-N 2.96Å; L247-T249 VanDerWaalsContact C-N 3.27Å; L247-T249 WeakPolarHBondContact CB-O 3.5Å; L247-T249 PolarHBondContact O-N 3.46Å; L247-L251 HydrophobicContact CD1-CD2 3.81Å; L247-L251 HydrophobicContact CD1-CG 4.05Å
248V93.4Very high89.1Confident51 Ų5143.5 Ų43.531%0.30927%0.272SS..SBendtrans-66.5-29.717667.20000112.6M203 Y205 Y210 Y212M203-V248 HydrophobicContact CE-CG1 4.15Å; M203-V248 HydrophobicContact SD-CG1 4.11Å; Y205-V248 VanDerWaalsContact CB-CG1 3.45Å; Y205-V248 HydrophobicContact CD1-CB 4.27Å; Y205-V248 HydrophobicContact CD1-CG1 4.03Å; Y205-V248 HydrophobicContact CD1-CG2 3.25Å; Y205-V248 HydrophobicContact CD2-CG1 4.41Å; Y205-V248 HydrophobicContact CD2-CG2 4.49Å; Y205-V248 HydrophobicContact CE1-CG2 3.51Å; Y205-V248 HydrophobicContact CG-CB 4.39Å; Y205-V248 HydrophobicContact CG-CG1 3.72Å; Y205-V248 HydrophobicContact CG-CG2 3.78Å; Y210-V248 HydrophobicContact CD2-CG1 4.09Å; Y210-V248 HydrophobicContact CE2-CG1 4.33Å; Y210-V248 HydrophobicContact CG-CG1 4.23Å; Y212-V248 WeakPolarHBondContact OH-CB 3.33Å; Y212-V248 PolarHBondContact OH-N 3.22Å
249T94.9Very high87.5Confident38 Ų3850.9 Ų50.923%0.23330%0.304CS..SBendtrans-153.9172.6170.1-171.30000109.3M203 Y205 L247M203-T249 HydrophobicContact CE-CG2 3.45Å; M203-T249 VanDerWaalsContact CE-CG2 3.45Å; M203-T249 WeakPolarHBondContact CE-O 3.43Å; Y205-T249 HydrophobicContact CD2-CG2 3.54Å; Y205-T249 HydrophobicContact CE2-CG2 4.22Å; Y205-T249 HydrophobicContact CG-CG2 4.29Å; L247-T249 VanDerWaalsContact C-N 3.27Å; L247-T249 WeakPolarHBondContact CB-O 3.5Å; L247-T249 PolarHBondContact O-N 3.46Å
250V95Very high85.6Confident53 Ų5351.3 Ų51.332%0.32131%0.307SS..  trans-67.4155.4172.7-670000111.4L240 P244L240-V250 WeakPolarHBondContact O-CA 3.5Å; P244-V250 HydrophobicContact CB-CG1 4.29Å; P244-V250 HydrophobicContact CG-CG1 4.42Å
251L95.3Very high83.3Confident7 Ų753.8 Ų53.84%0.03732%0.322CS..  trans-68134.1173.1-60.2-175000110.7F188 L201 M203 V237 L240 K241 L247F188-L251 HydrophobicContact CB-CD2 3.81Å; F188-L251 HydrophobicContact CD1-CB 3.86Å; F188-L251 HydrophobicContact CD1-CD1 4.34Å; F188-L251 HydrophobicContact CD1-CD2 4.2Å; F188-L251 HydrophobicContact CD1-CG 4.36Å; F188-L251 HydrophobicContact CD2-CD1 3.97Å; F188-L251 HydrophobicContact CD2-CD2 4.38Å; F188-L251 HydrophobicContact CE1-CB 4Å; F188-L251 HydrophobicContact CE1-CD1 4.39Å; F188-L251 HydrophobicContact CE2-CD1 4.02Å; F188-L251 HydrophobicContact CG-CB 4.35Å; F188-L251 HydrophobicContact CG-CD1 4.14Å; F188-L251 HydrophobicContact CG-CD2 3.87Å; F188-L251 HydrophobicContact CG-CG 4.34Å; F188-L251 HydrophobicContact CZ-CD1 4.23Å; L201-L251 HydrophobicContact CD1-CD1 4.21Å; L201-L251 HydrophobicContact CD1-CD2 4.2Å; L201-L251 HydrophobicContact CD2-CD1 4.39Å; L201-L251 HydrophobicContact CD2-CD2 4.22Å; M203-L251 HydrophobicContact CB-CD2 4.38Å; M203-L251 HydrophobicContact CE-CD2 4.21Å; M203-L251 HydrophobicContact SD-CD2 4.23Å; V237-L251 HydrophobicContact CG1-CD1 4.14Å; L240-L251 HydrophobicContact CB-CD1 3.59Å; L240-L251 HydrophobicContact CB-CG 3.76Å; L240-L251 HydrophobicContact CD1-CD1 4.49Å; L240-L251 PolarHBondContact O-N 3.32Å; K241-L251 HydrophobicContact CB-CB 4.44Å; K241-L251 HydrophobicContact CG-CB 3.76Å; L247-L251 HydrophobicContact CD1-CD2 3.81Å; L247-L251 HydrophobicContact CD1-CG 4.05Å
252G92.3Very high80.8Confident36 Ų3658 Ų5837%0.37134%0.343SS..  trans-109.3-121.9177.800000110.9G186 F188G186-G252 PolarHBondContact O-N 3.44Å; F188-G252 WeakPolarHBondContact CE1-O 3.29Å
253E91.3Very high78.5Confident126 Ų12661 Ų6159%0.58936%0.36SS*.SBendtrans-72134.7-177.2-167-177.3168.500112.5K187 F188K187-E253 CarbonylContact C-O 3.6Å; K187-E253 WeakPolarHBondContact CA-O 3.45Å; F188-E253 WeakPolarHBondContact CD1-O 3.42Å; F188-E253 PolarHBondContact N-O 2.96Å
254A92.3Very high76.2Confident25 Ų2562.8 Ų62.821%0.20737%0.372CS..BIsolated β-bridgetrans-71130172.300000110.9W164 F188 V256W164-A254 HydrophobicContact CB-CB 3.82Å; F188-A254 HydrophobicContact CE1-CB 4.19Å; F188-A254 HydrophobicContact CZ-CB 4.24Å; A254-V256 PolarHBondContact O-N 3.02Å
255C91.8Very high73.5Confident13 Ų1367.9 Ų67.99%0.08839%0.389CS..  trans-70.3113.9161.9-175.50000107.7H166 L178 K187 F188 L189H166-C255 PolarHBondContact NE2-O 3.11Å; L178-C255 HydrophobicContact CD2-CB 4.13Å; K187-C255 HydrophobicContact CG-CB 4.47Å; F188-C255 VanDerWaalsContact O-CB 3.29Å; F188-C255 WeakPolarHBondContact O-CB 3.36Å; F188-C255 PolarHBondContact O-N 3.32Å; L189-C255 HydrophobicContact CB-CB 4.19Å; L189-C255 HydrophobicContact CD2-CB 4.3Å
256V86.9Confident70.5Confident82 Ų8274.3 Ų74.350%0.49742%0.415SS..  trans-83130-172.4-176.40000110.9P163 A254 G258 V261P163-V256 HydrophobicContact CB-CG1 4.17Å; A254-V256 PolarHBondContact O-N 3.02Å; V256-G258 PolarHBondContact O-N 3.35Å; V256-V261 HydrophobicContact CG1-CG2 3.66Å
257N76.6Confident67.9Low22 Ų2276.3 Ų76.312%0.11842%0.415CS..  trans-76.6117.2172-176.33.6000111P163 Y165 K259 T260P163-N257 PolarHBondContact O-N 2.9Å; Y165-N257 PolarHBondContact O-ND2 3.29Å; Y165-N257 VanDerWaalsContact O-ND2 3.15Å; N257-K259 PolarHBondContact O-N 2.79Å; N257-K259 PolarHBondContact OD1-N 3.03Å; N257-T260 WeakPolarHBondContact CB-OG1 3.24Å; N257-T260 PolarHBondContact O-N 3.48Å; N257-T260 PolarHBondContact O-OG1 3.4Å
258G62.8Low65Low55 Ų5581.1 Ų81.157%0.56745%0.45SS*.THydrogen-bonded Turntrans-59-20.7-178.300000115.2V256V256-G258 PolarHBondContact O-N 3.35Å
259K57.4Low62Low167 Ų16783.7 Ų83.773%0.72647%0.465SS*.THydrogen-bonded Turntrans-75.3-30.4175.3-66.9-172.6-179.1-176.20113.3N257N257-K259 PolarHBondContact O-N 2.79Å; N257-K259 PolarHBondContact OD1-N 3.03Å
260T51.3Low58.9Low11 Ų1187.5 Ų87.57%0.06749%0.491CS..Hα-helixtrans-76.5-28.6-177.9-26.20000111.4Q161 N257 E262 L263 I264Q161-T260 WeakPolarHBondContact O-CG2 3.29Å; N257-T260 WeakPolarHBondContact CB-OG1 3.24Å; N257-T260 PolarHBondContact O-N 3.48Å; N257-T260 PolarHBondContact O-OG1 3.4Å; T260-E262 VanDerWaalsContact C-N 3.26Å; T260-E262 PolarHBondContact O-N 3.42Å; T260-L263 PolarHBondContact O-N 2.82Å; T260-I264 HydrophobicContact CG2-CD1 4.34Å; T260-I264 WeakPolarHBondContact O-CG1 3.25Å; T260-I264 PolarHBondContact O-N 3.42Å; T260-I264 VanDerWaalsContact O-N 3.16Å
261V44.5Very low55.8Low54 Ų5490.3 Ų90.333%0.32751%0.513SS..Hα-helixtrans-63.3-29177.5-176.20000112.5V256 K265V256-V261 HydrophobicContact CG1-CG2 3.66Å; V261-K265 HydrophobicContact CG1-CD 4.42Å; V261-K265 WeakPolarHBondContact O-CG 3.24Å; V261-K265 PolarHBondContact O-N 2.8Å
262E37.9Very low52.6Low150 Ų15098 Ų9870%0.70155%0.549SS*.Hα-helixtrans-76.9-27.5176.2-74-171.4160.800113.5T260T260-E262 VanDerWaalsContact C-N 3.26Å; T260-E262 PolarHBondContact O-N 3.42Å
263L42.3Very low49.5Very low138 Ų138102 Ų10272%0.72357%0.568SS**Hα-helixtrans-78.4-37.3176.7-77.2154.6000111.7T260 K265 K266T260-L263 PolarHBondContact O-N 2.82Å; L263-K265 VanDerWaalsContact C-N 3.29Å; L263-K265 PolarHBondContact O-N 2.73Å; L263-K266 PolarHBondContact O-N 3.27Å
264I40.8Very low46.4Very low118 Ų118103.2 Ų103.261%0.60558%0.576SS**Hα-helixtrans-70.4-25.5178.3-61.7164000111.7T260 K266T260-I264 HydrophobicContact CG2-CD1 4.34Å; T260-I264 WeakPolarHBondContact O-CG1 3.25Å; T260-I264 PolarHBondContact O-N 3.42Å; T260-I264 VanDerWaalsContact O-N 3.16Å; I264-K266 VanDerWaalsContact C-N 3.34Å; I264-K266 PolarHBondContact O-N 2.96Å
265K30.6Very low43.2Very low161 Ų161113.1 Ų113.170%0.761%0.608SS**THydrogen-bonded Turntrans-80.6-4.6179.3-77.8-179.3179.6-177.60115.1V261 L263 P267V261-K265 HydrophobicContact CG1-CD 4.42Å; V261-K265 WeakPolarHBondContact O-CG 3.24Å; V261-K265 PolarHBondContact O-N 2.8Å; L263-K265 VanDerWaalsContact C-N 3.29Å; L263-K265 PolarHBondContact O-N 2.73Å; K265-P267 VanDerWaalsContact O-CD 3.27Å; K265-P267 WeakPolarHBondContact O-CD 3.43Å
266K25.3Very low40.1Very low172 Ų172120.3 Ų120.375%0.74864%0.638SS**  trans-106.296.8172.9-78.3-173.8178.8177.80110.4L263 I264 S268L263-K266 PolarHBondContact O-N 3.27Å; I264-K266 VanDerWaalsContact C-N 3.34Å; I264-K266 PolarHBondContact O-N 2.96Å; K266-S268 PolarHBondContact O-N 3.19Å
267P32.3Very low37.1Very low110 Ų110123.6 Ų123.671%0.71465%0.651SS**  trans-68.5103.115827.9-29.2000107.4K265 V269K265-P267 VanDerWaalsContact O-CD 3.27Å; K265-P267 WeakPolarHBondContact O-CD 3.43Å; P267-V269 HydrophobicContact CB-CG2 4.36Å; P267-V269 PolarHBondContact O-N 3.18Å
268S30.7Very low34.6Very low115 Ų115131.5 Ų131.580%0.80468%0.679SS**  trans-75.377.1162.656.70000108.3K266K266-S268 PolarHBondContact O-N 3.19Å
269V30.3Very low32.7Very low104 Ų104137.6 Ų137.663%0.6370%0.695SS**  trans-70.8125.6156.7-174.70000105.8P267 S271P267-V269 HydrophobicContact CB-CG2 4.36Å; P267-V269 PolarHBondContact O-N 3.18Å; V269-S271 VanDerWaalsContact C-N 3.31Å; V269-S271 PolarHBondContact O-N 3.33Å
270P29.1Very low31.1Very low119 Ų119135.8 Ų135.877%0.77369%0.688SS**  trans-63.7100.4163.6-7.422.3000106.8E272P270-E272 PolarHBondContact O-N 2.92Å; P270-E272 VanDerWaalsContact O-N 3.08Å
271S29.1Very low29.9Very low112 Ų112141.2 Ų141.278%0.78373%0.726SS**  trans-82.86717044.50000108.8V269V269-S271 VanDerWaalsContact C-N 3.31Å; V269-S271 PolarHBondContact O-N 3.33Å
272E28.2Very low29Very low168 Ų168146 Ų14679%0.78574%0.743SS**SBendtrans-135127.4155.3-78.1-163.1159.100108.7P270 M274P270-E272 PolarHBondContact O-N 2.92Å; P270-E272 VanDerWaalsContact O-N 3.08Å; E272-M274 PolarHBondContact O-N 3.28Å
273P27.7Very low28.5Very low121 Ų121148.3 Ų148.379%0.78675%0.754SS**  trans-61.6111.3169.325.1-29.7000107R275P273-R275 VanDerWaalsContact C-N 3.27Å; P273-R275 PolarHBondContact O-N 3.44Å
274M26.4Very low27.6Very low151 Ų151152.2 Ų152.274%0.74476%0.759SS**  trans-61.392.8176.5-155.7-172.2-72.500107.7E272 F276E272-M274 PolarHBondContact O-N 3.28Å; M274-F276 VanDerWaalsContact C-N 3.33Å; M274-F276 PolarHBondContact O-N 2.96Å; M274-F276 HydrophobicContact SD-CE2 4.32Å; M274-F276 HydrophobicContact SD-CZ 4.17Å
275R25.1Very low27Very low232 Ų232158.4 Ų158.488%0.87578%0.775SS**  trans-6499.8167.2-79-176.5171.5-178.3-1.3106.1P273 I277P273-R275 VanDerWaalsContact C-N 3.27Å; P273-R275 PolarHBondContact O-N 3.44Å; R275-I277 VanDerWaalsContact C-N 3.33Å; R275-I277 PolarHBondContact O-N 3.2Å
276F26.2Very low26.8Very low164 Ų164156 Ų15672%0.71978%0.776SS**  trans-60.298.6166.3-81.9-88.4000108.4M274 W278M274-F276 VanDerWaalsContact C-N 3.33Å; M274-F276 PolarHBondContact O-N 2.96Å; M274-F276 HydrophobicContact SD-CE2 4.32Å; M274-F276 HydrophobicContact SD-CZ 4.17Å; F276-W278 VanDerWaalsContact C-N 3.35Å; F276-W278 PolarHBondContact O-N 3.46Å; F276-W278 VanDerWaalsContact O-N 3.07Å
277I24.1Very low26.8Very low151 Ų151159 Ų15977%0.77478%0.782SS**  trans-71.598.8163.9-63.2173.1000105.6R275 M279R275-I277 VanDerWaalsContact C-N 3.33Å; R275-I277 PolarHBondContact O-N 3.2Å; I277-M279 PolarHBondContact O-N 3.47Å; I277-M279 VanDerWaalsContact O-N 3.11Å
278W24.3Very low26.8Very low188 Ų188158.7 Ų158.771%0.71278%0.78SS**  trans-62109.2167.3-78.777000108.9F276 F280F276-W278 VanDerWaalsContact C-N 3.35Å; F276-W278 PolarHBondContact O-N 3.46Å; F276-W278 VanDerWaalsContact O-N 3.07Å; W278-F280 HydrophobicContact CB-CD2 3.78Å; W278-F280 HydrophobicContact CB-CE2 4.06Å; W278-F280 HydrophobicContact CD2-CD2 4.12Å; W278-F280 AromaticContact CD2-CE2 3.5Å; W278-F280 HydrophobicContact CD2-CE2 3.5Å; W278-F280 VanDerWaalsContact CD2-CE2 3.5Å; W278-F280 HydrophobicContact CD2-CZ 4.06Å; W278-F280 HydrophobicContact CE3-CD1 4.48Å; W278-F280 AromaticContact CE3-CD2 3.67Å; W278-F280 HydrophobicContact CE3-CD2 3.67Å; W278-F280 AromaticContact CE3-CE1 3.91Å; W278-F280 HydrophobicContact CE3-CE1 3.91Å; W278-F280 AromaticContact CE3-CE2 2.97Å; W278-F280 HydrophobicContact CE3-CE2 2.97Å; W278-F280 HydrophobicContact CE3-CG 4.39Å; W278-F280 AromaticContact CE3-CZ 3.12Å; W278-F280 HydrophobicContact CE3-CZ 3.12Å; W278-F280 HydrophobicContact CG-CD2 4.24Å; W278-F280 HydrophobicContact CG-CE2 4.01Å; W278-F280 HydrophobicContact CH2-CE2 4.38Å; W278-F280 HydrophobicContact CH2-CZ 4.04Å; W278-F280 HydrophobicContact CZ3-CD2 4.49Å; W278-F280 AromaticContact CZ3-CE1 3.87Å; W278-F280 HydrophobicContact CZ3-CE1 3.87Å; W278-F280 AromaticContact CZ3-CE2 3.49Å; W278-F280 HydrophobicContact CZ3-CE2 3.49Å; W278-F280 VanDerWaalsContact CZ3-CE2 3.49Å; W278-F280 AromaticContact CZ3-CZ 3.1Å; W278-F280 HydrophobicContact CZ3-CZ 3.1Å; W278-F280 PolarHBondContact O-N 3.33Å
279M22.3Very low26.7Very low183 Ų183160.6 Ų160.690%0.90178%0.781SS**  trans-75.779.2158.7-87.8-170.6-87.300108.4I277I277-M279 PolarHBondContact O-N 3.47Å; I277-M279 VanDerWaalsContact O-N 3.11Å
280F25.6Very low26.4Very low129 Ų129160.1 Ų160.157%0.56679%0.788SS**  trans-78.8116.1156.1-79.2-70.1000108.2W278 F282W278-F280 HydrophobicContact CB-CD2 3.78Å; W278-F280 HydrophobicContact CB-CE2 4.06Å; W278-F280 HydrophobicContact CD2-CD2 4.12Å; W278-F280 AromaticContact CD2-CE2 3.5Å; W278-F280 HydrophobicContact CD2-CE2 3.5Å; W278-F280 VanDerWaalsContact CD2-CE2 3.5Å; W278-F280 HydrophobicContact CD2-CZ 4.06Å; W278-F280 HydrophobicContact CE3-CD1 4.48Å; W278-F280 AromaticContact CE3-CD2 3.67Å; W278-F280 HydrophobicContact CE3-CD2 3.67Å; W278-F280 AromaticContact CE3-CE1 3.91Å; W278-F280 HydrophobicContact CE3-CE1 3.91Å; W278-F280 AromaticContact CE3-CE2 2.97Å; W278-F280 HydrophobicContact CE3-CE2 2.97Å; W278-F280 HydrophobicContact CE3-CG 4.39Å; W278-F280 AromaticContact CE3-CZ 3.12Å; W278-F280 HydrophobicContact CE3-CZ 3.12Å; W278-F280 HydrophobicContact CG-CD2 4.24Å; W278-F280 HydrophobicContact CG-CE2 4.01Å; W278-F280 HydrophobicContact CH2-CE2 4.38Å; W278-F280 HydrophobicContact CH2-CZ 4.04Å; W278-F280 HydrophobicContact CZ3-CD2 4.49Å; W278-F280 AromaticContact CZ3-CE1 3.87Å; W278-F280 HydrophobicContact CZ3-CE1 3.87Å; W278-F280 AromaticContact CZ3-CE2 3.49Å; W278-F280 HydrophobicContact CZ3-CE2 3.49Å; W278-F280 VanDerWaalsContact CZ3-CE2 3.49Å; W278-F280 AromaticContact CZ3-CZ 3.1Å; W278-F280 HydrophobicContact CZ3-CZ 3.1Å; W278-F280 PolarHBondContact O-N 3.33Å; F280-F282 HydrophobicContact CB-CD2 3.81Å; F280-F282 HydrophobicContact CB-CE2 3.91Å; F280-F282 HydrophobicContact CG-CE2 4.46Å; F280-F282 PolarHBondContact O-N 3.3Å
281S25.3Very low26.2Very low125 Ų125165 Ų16587%0.87479%0.793SS**  trans-66.179.5167.234.30000110.3Q283S281-Q283 PolarHBondContact O-N 3.45Å
282F25.7Very low26.2Very low154 Ų154165.5 Ų165.568%0.67579%0.791SS**  trans-78105.4165.4-89.1-84.7000109.5F280 R284F280-F282 HydrophobicContact CB-CD2 3.81Å; F280-F282 HydrophobicContact CB-CE2 3.91Å; F280-F282 HydrophobicContact CG-CE2 4.46Å; F280-F282 PolarHBondContact O-N 3.3Å; F282-R284 PolarHBondContact O-N 2.92Å; F282-R284 VanDerWaalsContact O-N 3.1Å
283Q26.3Very low26.5Very low200 Ų200162.7 Ų162.794%0.93579%0.787SS**  trans-63.5105.2157.3-82.2177-16.500108.6S281S281-Q283 PolarHBondContact O-N 3.45Å
284R25Very low26.5Very low220 Ų220162.5 Ų162.583%0.8379%0.786SS**  trans-122.4126.6161.2-80-171.2174.3-173.2-0.1109.8F282F282-R284 PolarHBondContact O-N 2.92Å; F282-R284 VanDerWaalsContact O-N 3.1Å
285R27.2Very low26.6Very low248 Ų248161.6 Ų161.694%0.93679%0.791SS**  trans-61160.7176.2-71.1178.5174.5-177.2-2.1112
286P26.4Very low26.6Very low111 Ų111154.1 Ų154.172%0.72179%0.786SS**  trans-101.3149.2-158.735.3-27.6000116.3
287R26.7Very low26.5Very low234 Ų234151.2 Ų151.288%0.88379%0.793SS**  trans74.1163.7144.4-75.6-179-170.1-163.84120.2
288P31.6Very low26.6Very low104 Ų104148.7 Ų148.768%0.67579%0.794SS**  cis-133.7161.8-14.228.1-6.8000115.1
289N27.6Very low26.7Very low155 Ų155144.5 Ų144.583%0.82980%0.8SS**  trans171.9102.7135.9-87.6-8.8000107.8
290A23.9Very low26.9Very low93 Ų93144.1 Ų144.177%0.76980%0.801SS**  78.584.187.300000112.9
291Y26.3Very low26.9Very low222 Ų222142.5 Ų142.587%0.87181%0.811SS**  trans-162.1133.7143.2-146.5-103.2000110.9
292T28.6Very low26.8Very low123 Ų123142.5 Ų142.576%0.75581%0.811SS**  trans-112.1146.4178.5-50.90000108
293P34Very low26.8Very low108 Ų108144.6 Ų144.670%0.70182%0.82SS**  trans-94.3173-158.538.1-34.3000113.2
294P27.4Very low26.6Very low118 Ų118144.9 Ų144.977%0.76682%0.818SS**  trans-101.5154.1158.830.4-18.5000113.3
295P30Very low26.6Very low131 Ų131140.5 Ų140.585%0.85182%0.815SS**  trans-105.2160-165.938.6-28.9000114.2
296G24.7Very low26.5Very low75 Ų75134.5 Ų134.577%0.77381%0.807SS**  trans113.9108.5150.700000115.5
297A24.1Very low26.4Very low103 Ų103134.6 Ų134.685%0.85181%0.81SS**  170137.491.900000112.5
298A25.7Very low26.4Very low98 Ų98129.3 Ų129.381%0.8180%0.804SS**  trans70.799.2150.500000119.6
299A27.1Very low26.5Very low100 Ų100129.8 Ų129.883%0.82681%0.806SS**  trans-48.3134.4153.900000112.6
300L25.4Very low26.9Very low176 Ų176132.4 Ų132.492%0.92181%0.81SS**  trans-126.2107.1154.9-13884.4000109.5
301A25.6Very low27.9Very low94 Ų94137 Ų13778%0.77782%0.816SS**  trans10.5110161.300000118.7K303A301-K303 PolarHBondContact O-N 3.25Å; A301-K303 VanDerWaalsContact O-N 3.13Å
302S24.1Very low29.7Very low126 Ų126133 Ų13388%0.88180%0.8SS**  trans-55.1108.4159.3-41.50000110.7K304S302-K304 PolarHBondContact O-N 2.99Å
303K24.8Very low31.6Very low197 Ų197134 Ų13486%0.85780%0.8SS**  trans-70.9122.4160-88.3-179.4175.9175.70108A301 V305A301-K303 PolarHBondContact O-N 3.25Å; A301-K303 VanDerWaalsContact O-N 3.13Å; K303-V305 PolarHBondContact O-N 3.41Å
304K22.9Very low33.8Very low206 Ų206133.8 Ų133.890%0.89679%0.793SS**  trans-42.5111.6169-91.3175.7168.6177.50109.9S302 T306S302-K304 PolarHBondContact O-N 2.99Å; K304-T306 PolarHBondContact O-N 2.9Å
305V23.9Very low36.5Very low128 Ų128129 Ų12978%0.77676%0.76SS**  trans-68.1108.2162.5176.50000106.1K303 S307K303-V305 PolarHBondContact O-N 3.41Å; V305-S307 PolarHBondContact O-N 3.48Å
306T25.1Very low39.1Very low123 Ų123122.7 Ų122.776%0.75572%0.72SS**  trans-58.4122.9160.142.60000107.3K304 V308K304-T306 PolarHBondContact O-N 2.9Å; T306-V308 PolarHBondContact O-N 2.85Å; T306-V308 VanDerWaalsContact O-N 3.09Å
307S25.7Very low42.1Very low113 Ų113119.8 Ų119.879%0.7969%0.686SS**  trans-42.6111.9177.149.50000111.9V305V305-S307 PolarHBondContact O-N 3.48Å
308V27.2Very low45Very low123 Ų123116.8 Ų116.875%0.74566%0.656SS**  trans-66.4132.5167.1-175.70000107.4T306T306-V308 PolarHBondContact O-N 2.85Å; T306-V308 VanDerWaalsContact O-N 3.09Å
309P32.3Very low47.7Very low113 Ų113113.3 Ų113.373%0.73463%0.625SS**  trans-64.7149.3176.3-11.425.9000110.3E311P309-E311 PolarHBondContact O-N 3.28Å
310K35.7Very low49.7Very low210 Ų210116 Ų11691%0.91363%0.625SS**  trans-36.2129.5172.6-84.1176.1167.1-178.20111.5R312K310-R312 PolarHBondContact O-N 3.45Å
311E45.3Very low51.4Low191 Ų191108.7 Ų108.789%0.89359%0.593SS**PPolyproline II helixtrans-46.6121.1176.6-76.6174.9147.500110.8P309P309-E311 PolarHBondContact O-N 3.28Å
312R65Low53.6Low138 Ų138104.3 Ų104.352%0.52156%0.557SS.*PPolyproline II helixtrans-65.4144.3167.763-177.5-177.8134.310.7109.1K310 L314 D318K310-R312 PolarHBondContact O-N 3.45Å; R312-L314 PolarHBondContact O-N 2.84Å; R312-D318 IonicContact CZ-OD1 3.5Å; R312-D318 IonicContact CZ-OD2 3.66Å; R312-D318 IonicContact NH1-OD1 3.93Å; R312-D318 IonicContact NH1-OD2 2.85Å; R312-D318 IonicContact NH2-OD1 3.36Å; R312-D318 PolarHBondContact NH2-OD1 3.43Å; R312-D318 IonicContact NH2-OD2 2.77Å
313D68Low55.6Low143 Ų143100 Ų10077%0.76552%0.524SS*.PPolyproline II helixtrans-57.9130.3171.5-69.3-41.6000109.6L315D313-L315 PolarHBondContact O-N 2.61Å
314L80Confident56.9Low104 Ų10492.5 Ų92.555%0.54550%0.495SS..PPolyproline II helixtrans-66.8124.1-179.9-70.8171.4000110.2R312 D318R312-L314 PolarHBondContact O-N 2.84Å; L314-D318 HydrophobicContact CD2-CB 4.1Å
315L85.2Confident58.3Low16 Ų1686.4 Ų86.48%0.08447%0.467CS..PPolyproline II helixtrans-83.9158.8172-62.2-179.7000110.1W132 Q149 L153 D313 M317 D318W132-L315 HydrophobicContact CH2-CD1 3.9Å; W132-L315 HydrophobicContact CZ2-CD1 4.03Å; Q149-L315 HydrophobicContact CB-CD2 4.05Å; Q149-L315 HydrophobicContact CG-CD2 4.24Å; L153-L315 HydrophobicContact CD1-CD1 3.77Å; D313-L315 PolarHBondContact O-N 2.61Å; L315-M317 PolarHBondContact O-N 3.43Å; L315-M317 VanDerWaalsContact O-N 3.07Å; L315-D318 PolarHBondContact N-OD2 2.83Å; L315-D318 WeakPolarHBondContact O-CB 3.31Å; L315-D318 PolarHBondContact O-N 3Å
316P84.3Confident59.7Low0 Ų086.6 Ų86.60%046%0.459CS..G310 helixtrans-49.5-37.2173-29.736.6000112.8Q146 D318 C319 F322 F478Q146-P316 HydrophobicContact CG-CG 4.3Å; P316-D318 VanDerWaalsContact C-N 3.27Å; P316-D318 PolarHBondContact O-N 3.23Å; P316-C319 WeakPolarHBondContact O-CB 3.49Å; P316-C319 PolarHBondContact O-N 3.02Å; P316-C319 VanDerWaalsContact O-N 3.14Å; P316-F322 HydrophobicContact CB-CD2 3.53Å; P316-F322 HydrophobicContact CB-CE2 3.69Å; P316-F322 WeakPolarHBondContact O-CB 3.44Å; P316-F478 HydrophobicContact CB-CB 4.25Å; P316-F478 HydrophobicContact CB-CD1 4Å; P316-F478 HydrophobicContact CB-CD2 3.87Å; P316-F478 HydrophobicContact CB-CE1 4.27Å; P316-F478 HydrophobicContact CB-CE2 4.16Å; P316-F478 HydrophobicContact CB-CG 3.8Å; P316-F478 HydrophobicContact CB-CZ 4.34Å; P316-F478 HydrophobicContact CG-CB 4.15Å; P316-F478 HydrophobicContact CG-CD2 4.23Å; P316-F478 HydrophobicContact CG-CG 4.17Å
317M87.1Confident61.1Low14 Ų1483.6 Ų83.67%0.06944%0.439CS..G310 helixtrans-67.6-23.8-177.1-43.2-41.8-54.700114.3W132 L134 A142 L315 C319 F322W132-M317 HydrophobicContact CD2-CB 3.67Å; W132-M317 HydrophobicContact CD2-CG 4.38Å; W132-M317 HydrophobicContact CE3-CB 4.34Å; W132-M317 HydrophobicContact CG-CB 3.82Å; W132-M317 HydrophobicContact CZ2-CB 4.05Å; W132-M317 PolarHBondContact NE1-O 2.95Å; L134-M317 HydrophobicContact CD1-CE 2.99Å; L134-M317 HydrophobicContact CG-CE 4.44Å; A142-M317 HydrophobicContact CB-CE 3.41Å; A142-M317 VanDerWaalsContact CB-CE 3.41Å; A142-M317 HydrophobicContact CB-CG 4.27Å; A142-M317 HydrophobicContact CB-SD 3.46Å; A142-M317 WeakPolarHBondContact CB-SD 3.24Å; L315-M317 PolarHBondContact O-N 3.43Å; L315-M317 VanDerWaalsContact O-N 3.07Å; M317-C319 PolarHBondContact O-N 3.3Å; M317-F322 HydrophobicContact CE-CB 4.33Å; M317-F322 HydrophobicContact CE-CD1 2.98Å; M317-F322 HydrophobicContact CE-CD2 3.84Å; M317-F322 HydrophobicContact CE-CE1 3.02Å; M317-F322 HydrophobicContact CE-CE2 3.84Å; M317-F322 HydrophobicContact CE-CG 3.42Å; M317-F322 VanDerWaalsContact CE-CG 3.42Å; M317-F322 HydrophobicContact CE-CZ 3.44Å; M317-F322 VanDerWaalsContact CE-CZ 3.44Å; M317-F322 HydrophobicContact SD-CD1 3.74Å; M317-F322 HydrophobicContact SD-CD2 3.42Å; M317-F322 WeakPolarHBondContact SD-CD2 3.43Å; M317-F322 HydrophobicContact SD-CE1 3.53Å; M317-F322 VanDerWaalsContact SD-CE1 3.53Å; M317-F322 HydrophobicContact SD-CE2 3.16Å; M317-F322 WeakPolarHBondContact SD-CE2 3.4Å; M317-F322 HydrophobicContact SD-CG 3.68Å; M317-F322 HydrophobicContact SD-CZ 3.2Å; M317-F322 WeakPolarHBondContact SD-CZ 3.24Å
318D85Confident62.4Low40 Ų4083.9 Ų83.921%0.21444%0.437CS..G310 helixtrans-78.1-6.5177.2-61.1-49.9000112W132 R312 L314 L315 P316W132-D318 PolarHBondContact NE1-OD1 2.83Å; R312-D318 IonicContact CZ-OD1 3.5Å; R312-D318 IonicContact CZ-OD2 3.66Å; R312-D318 IonicContact NH1-OD1 3.93Å; R312-D318 IonicContact NH1-OD2 2.85Å; R312-D318 IonicContact NH2-OD1 3.36Å; R312-D318 PolarHBondContact NH2-OD1 3.43Å; R312-D318 IonicContact NH2-OD2 2.77Å; L314-D318 HydrophobicContact CD2-CB 4.1Å; L315-D318 PolarHBondContact N-OD2 2.83Å; L315-D318 WeakPolarHBondContact O-CB 3.31Å; L315-D318 PolarHBondContact O-N 3Å; P316-D318 VanDerWaalsContact C-N 3.27Å; P316-D318 PolarHBondContact O-N 3.23Å
319C81.7Confident63.5Low24 Ų2484.6 Ų84.616%0.16244%0.437CS..SBendtrans-96.9132.8178.5-57.30000110.8P316 M317 G321 F322 V474 N475 F478P316-C319 WeakPolarHBondContact O-CB 3.49Å; P316-C319 PolarHBondContact O-N 3.02Å; P316-C319 VanDerWaalsContact O-N 3.14Å; M317-C319 PolarHBondContact O-N 3.3Å; C319-G321 PolarHBondContact O-N 3.19Å; C319-F322 WeakPolarHBondContact O-CB 3.46Å; C319-F322 PolarHBondContact O-N 2.94Å; C319-V474 HydrophobicContact CB-CG1 4.33Å; C319-N475 PolarHBondContact SG-ND2 2.91Å; C319-F478 HydrophobicContact CB-CD1 4.29Å; C319-F478 HydrophobicContact CB-CE1 4.3Å
320D68.8Low65Low156 Ų15682 Ų8283%0.83442%0.415SS*.THydrogen-bonded Turntrans-52.7-29.7177.4-63.2-27.4000113.2F322D320-F322 PolarHBondContact O-N 3.04Å
321G62.2Low66.1Low24 Ų2478.5 Ų78.525%0.24741%0.405CS..THydrogen-bonded Turntrans-73.2-1.3177.400000115.5C319 R404 K480C319-G321 PolarHBondContact O-N 3.19Å; G321-R404 PolarHBondContact O-NH1 3.4Å; G321-K480 PolarHBondContact O-NZ 3.44Å
322F72Confident67.2Low2 Ų273.7 Ų73.71%0.00938%0.381CS..SBendtrans-78.8-48.8175.7-161.8-76000111.9Q141 A142 P316 M317 C319 D320 P400 F401 R404 F478Q141-F322 HydrophobicContact CB-CZ 4.46Å; A142-F322 HydrophobicContact CB-CE1 4.31Å; A142-F322 HydrophobicContact CB-CZ 4.19Å; P316-F322 HydrophobicContact CB-CD2 3.53Å; P316-F322 HydrophobicContact CB-CE2 3.69Å; P316-F322 WeakPolarHBondContact O-CB 3.44Å; M317-F322 HydrophobicContact CE-CB 4.33Å; M317-F322 HydrophobicContact CE-CD1 2.98Å; M317-F322 HydrophobicContact CE-CD2 3.84Å; M317-F322 HydrophobicContact CE-CE1 3.02Å; M317-F322 HydrophobicContact CE-CE2 3.84Å; M317-F322 HydrophobicContact CE-CG 3.42Å; M317-F322 VanDerWaalsContact CE-CG 3.42Å; M317-F322 HydrophobicContact CE-CZ 3.44Å; M317-F322 VanDerWaalsContact CE-CZ 3.44Å; M317-F322 HydrophobicContact SD-CD1 3.74Å; M317-F322 HydrophobicContact SD-CD2 3.42Å; M317-F322 WeakPolarHBondContact SD-CD2 3.43Å; M317-F322 HydrophobicContact SD-CE1 3.53Å; M317-F322 VanDerWaalsContact SD-CE1 3.53Å; M317-F322 HydrophobicContact SD-CE2 3.16Å; M317-F322 WeakPolarHBondContact SD-CE2 3.4Å; M317-F322 HydrophobicContact SD-CG 3.68Å; M317-F322 HydrophobicContact SD-CZ 3.2Å; M317-F322 WeakPolarHBondContact SD-CZ 3.24Å; C319-F322 WeakPolarHBondContact O-CB 3.46Å; C319-F322 PolarHBondContact O-N 2.94Å; D320-F322 PolarHBondContact O-N 3.04Å; F322-P400 HydrophobicContact CD1-CB 4Å; F322-P400 HydrophobicContact CD2-CB 3.8Å; F322-P400 HydrophobicContact CE1-CB 3.7Å; F322-P400 HydrophobicContact CE1-CG 3.84Å; F322-P400 HydrophobicContact CE2-CB 3.52Å; F322-P400 HydrophobicContact CE2-CG 4.01Å; F322-P400 HydrophobicContact CG-CB 4.05Å; F322-P400 HydrophobicContact CZ-CB 3.5Å; F322-P400 VanDerWaalsContact CZ-CB 3.5Å; F322-P400 HydrophobicContact CZ-CG 3.55Å; F322-F401 HydrophobicContact CE2-CE1 4.27Å; F322-F401 HydrophobicContact CE2-CZ 4.06Å; F322-F401 HydrophobicContact CZ-CZ 4.35Å; F322-R404 PolarHBondContact O-NH2 2.84Å; F322-F478 HydrophobicContact CD2-CE1 4.21Å; F322-F478 HydrophobicContact CD2-CE2 4.26Å; F322-F478 AromaticContact CD2-CZ 3.75Å; F322-F478 HydrophobicContact CD2-CZ 3.75Å; F322-F478 HydrophobicContact CE2-CZ 4.43Å
323N65.3Low67.9Low36 Ų3672.5 Ų72.519%0.19338%0.38CS..  trans-127.394.2175.1-176.210.9000111L134 Y325L134-N323 HydrophobicContact CD2-CB 3.59Å; L134-N323 WeakPolarHBondContact CD2-ND2 3.24Å; N323-Y325 VanDerWaalsContact C-N 3.27Å; N323-Y325 PolarHBondContact O-N 2.89Å; N323-Y325 PolarHBondContact OD1-N 2.87Å
324P52.9Low68.7Low39 Ų3967.4 Ų67.425%0.25335%0.351SS..THydrogen-bonded Turntrans-76.2-8.5-175.331.3-35.6000113.8H326 R404P324-H326 VanDerWaalsContact C-N 3.3Å; P324-R404 VanDerWaalsContact CD-NH2 3.34Å
325Y51.8Low69.2Low77 Ų7767.3 Ų67.330%0.30235%0.351SS..THydrogen-bonded Turntrans-97.432175.1-42.1-74.8000112.5N323 N327 K332 D398N323-Y325 VanDerWaalsContact C-N 3.27Å; N323-Y325 PolarHBondContact O-N 2.89Å; N323-Y325 PolarHBondContact OD1-N 2.87Å; Y325-N327 CarbonylContact O-C 3.58Å; Y325-N327 PolarHBondContact O-N 3.22Å; Y325-K332 HydrophobicContact CE1-CD 4.23Å; Y325-K332 HydrophobicContact CE1-CG 4.08Å; Y325-K332 WeakPolarHBondContact OH-CE 3.45Å; Y325-K332 PolarHBondContact OH-NZ 2.98Å; Y325-D398 WeakPolarHBondContact CE2-OD2 3.04Å; Y325-D398 VanDerWaalsContact CZ-OD2 3.28Å; Y325-D398 PolarHBondContact OH-OD2 3.04Å
326H52.6Low69.4Low133 Ų13367.2 Ų67.262%0.61635%0.35SS*.SBendtrans-51.8-21.3170.1-137.6-60.2000112P324P324-H326 VanDerWaalsContact C-N 3.3Å
327N55.5Low69.8Low60 Ų6073.2 Ų73.232%0.32138%0.378SS..SBendtrans-108.1105.2167.1-169.1-5.3000112.3Y325 N329 E330Y325-N327 CarbonylContact O-C 3.58Å; Y325-N327 PolarHBondContact O-N 3.22Å; N327-N329 PolarHBondContact O-N 3.46Å; N327-N329 VanDerWaalsContact O-N 3.1Å; N327-N329 WeakPolarHBondContact OD1-CB 3.31Å; N327-N329 PolarHBondContact OD1-N 3.43Å; N327-N329 VanDerWaalsContact OD1-N 3.08Å; N327-E330 HydrophobicContact CB-CB 4.3Å; N327-E330 PolarHBondContact O-N 2.99Å; N327-E330 VanDerWaalsContact O-N 3.15Å
328P53Low70.1Confident118 Ų11876.7 Ų76.777%0.76639%0.391SS*.THydrogen-bonded Turntrans-65.5-10.5177.524.9-32.5000114.1
329N50.2Low70.5Confident139 Ų13981 Ų8174%0.74341%0.414SS*.THydrogen-bonded Turntrans-90.7-4.9177.5-59.8-35.8000113.3N327 I331N327-N329 PolarHBondContact O-N 3.46Å; N327-N329 VanDerWaalsContact O-N 3.1Å; N327-N329 WeakPolarHBondContact OD1-CB 3.31Å; N327-N329 PolarHBondContact OD1-N 3.43Å; N327-N329 VanDerWaalsContact OD1-N 3.08Å; N329-I331 PolarHBondContact O-N 2.76Å
330E63.3Low71Confident57 Ų5782.8 Ų82.827%0.26642%0.42SS..  trans-83.8103.1-177.1-158173.7134.500110.9N327 K332 K363 S365N327-E330 HydrophobicContact CB-CB 4.3Å; N327-E330 PolarHBondContact O-N 2.99Å; N327-E330 VanDerWaalsContact O-N 3.15Å; E330-K332 PolarHBondContact O-N 3.44Å; E330-K363 WeakPolarHBondContact OE1-CD 3.38Å; E330-K363 WeakPolarHBondContact OE1-CE 3.33Å; E330-K363 IonicContact OE1-NZ 2.79Å; E330-K363 PolarHBondContact OE1-NZ 3.13Å; E330-S365 PolarHBondContact OE2-OG 3.32Å
331I59.6Low72.1Confident138 Ų13875.5 Ų75.571%0.70838%0.381SS*.  trans-72.2123.4179-57.5174.4000109.5N329 K333N329-I331 PolarHBondContact O-N 2.76Å; I331-K333 PolarHBondContact O-N 2.94Å
332K68.2Low73.6Confident89 Ų8977.8 Ų77.839%0.38739%0.387SS..  trans-60.2109.6168.5-73.2-173.1-177.3-175.20109.9Y325 E330 D398Y325-K332 HydrophobicContact CE1-CD 4.23Å; Y325-K332 HydrophobicContact CE1-CG 4.08Å; Y325-K332 WeakPolarHBondContact OH-CE 3.45Å; Y325-K332 PolarHBondContact OH-NZ 2.98Å; E330-K332 PolarHBondContact O-N 3.44Å; K332-D398 IonicContact NZ-OD2 2.82Å
333K79.4Confident74.6Confident114 Ų11480 Ų8050%0.49640%0.398SS..  trans-100.1114.9172-67.3177.7-174.7169.60108.4I331 N335 E364I331-K333 PolarHBondContact O-N 2.94Å; K333-N335 VanDerWaalsContact C-N 3.33Å; K333-N335 PolarHBondContact O-N 2.98Å; K333-E364 IonicContact NZ-OE1 3.72Å
334F84.8Confident75.8Confident36 Ų3681.7 Ų81.716%0.15841%0.407CS..SBendtrans-62.4-41.4177.9179.7-111.7000111.8M388 A391 E392 H395 M405 G407 L408F334-M388 HydrophobicContact CE1-CE 3.92Å; F334-M388 HydrophobicContact CZ-CE 4.45Å; F334-A391 HydrophobicContact CE2-CB 4.23Å; F334-A391 HydrophobicContact CZ-CB 3.96Å; F334-E392 HydrophobicContact CE1-CG 3.94Å; F334-E392 HydrophobicContact CE2-CG 4.09Å; F334-E392 HydrophobicContact CZ-CB 4.48Å; F334-E392 HydrophobicContact CZ-CG 3.67Å; F334-H395 HydrophobicContact CD2-CB 3.78Å; F334-H395 AromaticContact CD2-CD2 3.75Å; F334-H395 AromaticContact CD2-CG 3.73Å; F334-H395 HydrophobicContact CE2-CB 3.99Å; F334-M405 HydrophobicContact CE2-CE 4.24Å; F334-G407 CarbonylContact O-C 3.42Å; F334-G407 WeakPolarHBondContact O-CA 3.41Å; F334-L408 HydrophobicContact CE1-CB 4.18Å; F334-L408 HydrophobicContact CE1-CD2 4.16Å; F334-L408 HydrophobicContact CE2-CB 4.24Å; F334-L408 HydrophobicContact CZ-CB 3.98Å; F334-L408 HydrophobicContact CZ-CD1 4.33Å; F334-L408 HydrophobicContact CZ-CD2 4.43Å; F334-L408 HydrophobicContact CZ-CG 4.5Å; F334-L408 PolarHBondContact O-N 2.68Å
335N89.9Confident77.4Confident101 Ų10188.6 Ų88.654%0.5444%0.436SS..BIsolated β-bridgetrans-92.2118.7179-65.3-47.3000111K333 L408K333-N335 VanDerWaalsContact C-N 3.33Å; K333-N335 PolarHBondContact O-N 2.98Å; N335-L408 WeakPolarHBondContact CA-O 3.45Å
336I90.4Very high78.9Confident14 Ų1489 Ų897%0.07245%0.446CS..PPolyproline II helixtrans-100.1129.1176.4-65.1171.8000108.8Q340 L341 L361 L408 C409 V417I336-Q340 HydrophobicContact CG2-CB 4.34Å; I336-L341 HydrophobicContact CG2-CD1 3.85Å; I336-L341 HydrophobicContact CG2-CD2 4.17Å; I336-L341 HydrophobicContact CG2-CG 3.75Å; I336-L361 HydrophobicContact CD1-CD1 4.37Å; I336-L361 HydrophobicContact CD1-CD2 4.2Å; I336-L361 HydrophobicContact CG2-CD1 3.69Å; I336-L408 PolarHBondContact N-O 3.4Å; I336-C409 HydrophobicContact CB-CB 4.36Å; I336-C409 PolarHBondContact O-SG 3.42Å; I336-C409 VanDerWaalsContact O-SG 3.33Å; I336-V417 HydrophobicContact CD1-CB 3.68Å; I336-V417 HydrophobicContact CD1-CG1 4.01Å; I336-V417 HydrophobicContact CD1-CG2 3.73Å
337Q91.6Very high80.6Confident126 Ų12687.1 Ų87.159%0.58944%0.437SS*.PPolyproline II helixtrans-75.8144.1178-62.2-67.7-7.800110.5D339 Q340Q337-D339 VanDerWaalsContact C-N 3.25Å; Q337-D339 WeakPolarHBondContact CB-OD1 3.34Å; Q337-D339 PolarHBondContact O-N 3.33Å; Q337-Q340 HydrophobicContact CB-CG 4.16Å; Q337-Q340 VanDerWaalsContact N-OE1 3.12Å; Q337-Q340 WeakPolarHBondContact O-CB 3.45Å; Q337-Q340 PolarHBondContact O-N 3.05Å; Q337-Q340 VanDerWaalsContact O-N 3.1Å
338R93.8Very high82.1Confident87 Ų8788.1 Ų88.133%0.32844%0.442SS..G310 helixtrans-62.1-32.6-174.817760-172.886.4-2.5112.9Q340 L341 A411R338-Q340 VanDerWaalsContact C-N 3.27Å; R338-Q340 PolarHBondContact O-N 3.3Å; R338-L341 PolarHBondContact NH1-O 2.74Å; R338-L341 PolarHBondContact O-N 2.95Å; R338-A411 HydrophobicContact CB-CB 4.03Å; R338-A411 HydrophobicContact CG-CB 3.95Å
339D92.8Very high83.5Confident131 Ų13184 Ų8470%0.70142%0.421SS*.G310 helixtrans-68.7-22.7177.763.4-19.5000113.4Q337 L341Q337-D339 VanDerWaalsContact C-N 3.25Å; Q337-D339 WeakPolarHBondContact CB-OD1 3.34Å; Q337-D339 PolarHBondContact O-N 3.33Å; D339-L341 VanDerWaalsContact C-N 3.28Å
340Q92.2Very high85Confident61 Ų6181.8 Ų81.829%0.28542%0.416SS..G310 helixtrans-76.5-16.4173.8-61.4177.3-46.300112.7I336 Q337 R338 L361 R362I336-Q340 HydrophobicContact CG2-CB 4.34Å; Q337-Q340 HydrophobicContact CB-CG 4.16Å; Q337-Q340 VanDerWaalsContact N-OE1 3.12Å; Q337-Q340 WeakPolarHBondContact O-CB 3.45Å; Q337-Q340 PolarHBondContact O-N 3.05Å; Q337-Q340 VanDerWaalsContact O-N 3.1Å; R338-Q340 VanDerWaalsContact C-N 3.27Å; R338-Q340 PolarHBondContact O-N 3.3Å; Q340-L361 HydrophobicContact CB-CD1 4.05Å; Q340-R362 PolarHBondContact O-N 3.16Å
341L93.2Very high85.4Confident4 Ų481 Ų812%0.02142%0.423CS..EExtended strand (participates in β ladder)trans-103.7123.3-176.9-69.7172.5000111.9I336 R338 D339 L361 V370 I372 C409 V417I336-L341 HydrophobicContact CG2-CD1 3.85Å; I336-L341 HydrophobicContact CG2-CD2 4.17Å; I336-L341 HydrophobicContact CG2-CG 3.75Å; R338-L341 PolarHBondContact NH1-O 2.74Å; R338-L341 PolarHBondContact O-N 2.95Å; D339-L341 VanDerWaalsContact C-N 3.28Å; L341-L361 HydrophobicContact CD2-CB 4.16Å; L341-L361 HydrophobicContact CD2-CD1 3.72Å; L341-L361 HydrophobicContact CG-CD1 4.35Å; L341-V370 HydrophobicContact CD2-CG2 4.46Å; L341-I372 HydrophobicContact CD2-CD1 4.17Å; L341-C409 HydrophobicContact CD1-CB 3.51Å; L341-V417 HydrophobicContact CD1-CG2 3.68Å; L341-V417 HydrophobicContact CD2-CG1 4Å; L341-V417 HydrophobicContact CD2-CG2 3.95Å; L341-V417 HydrophobicContact CG-CG2 4.45Å
342I93.9Very high85.7Confident72 Ų7278.9 Ų78.937%0.36941%0.414SS..EExtended strand (participates in β ladder)trans-103.5121.5166-48175.8000107.1G359 V360 R362I342-G359 CarbonylContact O-C 3.55Å; I342-G359 WeakPolarHBondContact O-CA 3.3Å; I342-V360 HydrophobicContact CB-CB 4.37Å; I342-V360 PolarHBondContact N-O 2.99Å; I342-V360 PolarHBondContact O-N 2.68Å; I342-R362 VanDerWaalsContact CD1-NH2 3.29Å
343M92.6Very high85.6Confident48 Ų4877.7 Ų77.724%0.23641%0.409CS..EExtended strand (participates in β ladder)trans-103134.6179-61.6176.766.500109.1K357 I372 V374 M415M343-K357 HydrophobicContact CE-CD 3.91Å; M343-I372 HydrophobicContact CE-CG2 4.02Å; M343-I372 HydrophobicContact CG-CD1 3.64Å; M343-V374 HydrophobicContact CE-CG2 3.67Å; M343-M415 HydrophobicContact CE-SD 4.02Å; M343-M415 HydrophobicContact SD-SD 3.68Å; M343-M415 VanDerWaalsContact SD-SD 3.68Å
344D90.2Very high85.6Confident72 Ų7272.6 Ų72.639%0.38539%0.388SS..EExtended strand (participates in β ladder)trans-77.5156.4170.8-155.9-24.9000109.9V346 K358D344-V346 VanDerWaalsContact C-N 3.28Å; D344-V346 PolarHBondContact OD1-N 2.95Å; D344-K358 HydrophobicContact CB-CB 4.05Å; D344-K358 VanDerWaalsContact CB-O 3.3Å; D344-K358 WeakPolarHBondContact CB-O 3.45Å; D344-K358 PolarHBondContact N-O 3.07Å
345E85.8Confident85.7Confident184 Ų18472.2 Ų72.286%0.8639%0.39SS*.EExtended strand (participates in β ladder)trans-74.1-26.1171.9-66.3-172.2173.800111.4E347E345-E347 PolarHBondContact O-N 2.89Å
346V83.9Confident85.8Confident84 Ų8469.2 Ų69.251%0.50938%0.375SS..EExtended strand (participates in β ladder)trans-68.1118.7-179.1-174.50000111D344D344-V346 VanDerWaalsContact C-N 3.28Å; D344-V346 PolarHBondContact OD1-N 2.95Å
347E89.2Confident85.9Confident94 Ų9471.5 Ų71.544%0.43939%0.385SS..EExtended strand (participates in β ladder)trans-80.7125.6169.9-164.4-177.3113.100110.7E345 S350 C355 V356E345-E347 PolarHBondContact O-N 2.89Å; E347-S350 WeakPolarHBondContact OE1-CB 3.45Å; E347-S350 PolarHBondContact OE1-N 3.37Å; E347-S350 VanDerWaalsContact OE1-N 3.1Å; E347-C355 HydrophobicContact CG-CB 4.1Å; E347-C355 WeakPolarHBondContact OE2-CB 3.17Å; E347-V356 WeakPolarHBondContact CG-O 3.28Å
348L85.8Confident86Confident82 Ų8268.8 Ų68.843%0.42937%0.371SS..EExtended strand (participates in β ladder)trans-78.8-29.3174.5-60.9177.4000111.4V356 K358 M420L348-V356 HydrophobicContact CB-CG1 4.34Å; L348-V356 HydrophobicContact CD1-CG1 4.31Å; L348-V356 PolarHBondContact N-O 2.84Å; L348-K358 HydrophobicContact CD1-CB 4.12Å; L348-K358 HydrophobicContact CD2-CB 4.24Å; L348-K358 HydrophobicContact CG-CB 4.23Å; L348-M420 HydrophobicContact CD1-CE 3.73Å; L348-M420 HydrophobicContact CD1-SD 3.92Å; L348-M420 HydrophobicContact CD2-CE 4.24Å
349G83Confident86Confident30 Ų3064.8 Ų64.831%0.30936%0.356SS..EExtended strand (participates in β ladder)trans172.5161.2168.900000113.6V356G349-V356 PolarHBondContact N-O 2.91Å; G349-V356 PolarHBondContact O-N 3.1Å
350S81.3Confident86Confident94 Ų9459.9 Ų59.966%0.65733%0.331SS*.EExtended strand (participates in β ladder)trans-115.6148.3174.462.80000111.8E347E347-S350 WeakPolarHBondContact OE1-CB 3.45Å; E347-S350 PolarHBondContact OE1-N 3.37Å; E347-S350 VanDerWaalsContact OE1-N 3.1Å
351G71.3Confident86Confident40 Ų4057.4 Ų57.441%0.41232%0.32SS..EExtended strand (participates in β ladder)trans-142.9-168.6173.900000113.2F353 G354 K376G351-F353 PolarHBondContact O-N 3.36Å; G351-G354 PolarHBondContact N-O 3.08Å; G351-G354 PolarHBondContact O-N 3.15Å; G351-K376 PolarHBondContact O-NZ 3.24Å
352N65.8Low85.9Confident94 Ų9463 Ų6350%0.50334%0.341SS..THydrogen-bonded Turntrans-60.3-36.8178.9-75.6-20.9000111.7K376N352-K376 PolarHBondContact O-NZ 3.15Å
353F67.8Low85.3Confident64 Ų6462.5 Ų62.528%0.28134%0.336SS..THydrogen-bonded Turntrans-85.4-11.8-173.5-56.9-73.1000115G351 K376 G485 L486G351-F353 PolarHBondContact O-N 3.36Å; F353-K376 PolarHBondContact O-N 3.26Å; F353-G485 WeakPolarHBondContact CE1-O 3.33Å; F353-L486 HydrophobicContact CE1-CD2 3.75Å; F353-L486 HydrophobicContact CE1-CG 4.1Å; F353-L486 HydrophobicContact CE2-CD1 4.06Å; F353-L486 HydrophobicContact CE2-CD2 4.22Å; F353-L486 HydrophobicContact CE2-CG 3.71Å; F353-L486 HydrophobicContact CZ-CD1 3.83Å; F353-L486 HydrophobicContact CZ-CD2 3.27Å; F353-L486 HydrophobicContact CZ-CG 3.27Å
354G78.8Confident84.7Confident7 Ų769.1 Ų69.17%0.07237%0.366CS..EExtended strand (participates in β ladder)trans150.9-166.4-172.300000113.7G351 V374G351-G354 PolarHBondContact N-O 3.08Å; G351-G354 PolarHBondContact O-N 3.15Å; G354-V374 WeakPolarHBondContact CA-O 3.3Å
355C86.9Confident83.9Confident28 Ų2869 Ų6919%0.18937%0.371CS..EExtended strand (participates in β ladder)trans-115.2150.7170.565.60000110.9E347 K373 V374E347-C355 HydrophobicContact CG-CB 4.1Å; E347-C355 WeakPolarHBondContact OE2-CB 3.17Å; C355-K373 CarbonylContact O-C 3.46Å; C355-K373 WeakPolarHBondContact O-CA 3.27Å; C355-V374 PolarHBondContact N-O 2.76Å; C355-V374 PolarHBondContact O-N 3.32Å
356V90.7Very high83.8Confident38 Ų3861.9 Ų61.923%0.2335%0.347CS..EExtended strand (participates in β ladder)trans-111124.3178.5-174.70000107.8E347 L348 G349 A371 I372 K373E347-V356 WeakPolarHBondContact CG-O 3.28Å; L348-V356 HydrophobicContact CB-CG1 4.34Å; L348-V356 HydrophobicContact CD1-CG1 4.31Å; L348-V356 PolarHBondContact N-O 2.84Å; G349-V356 PolarHBondContact N-O 2.91Å; G349-V356 PolarHBondContact O-N 3.1Å; V356-A371 HydrophobicContact CG1-CB 4.15Å; V356-I372 CarbonylContact C-O 3.46Å; V356-I372 WeakPolarHBondContact CA-O 3.22Å; V356-K373 HydrophobicContact CG2-CB 4.23Å; V356-K373 HydrophobicContact CG2-CG 4.12Å
357K93.1Very high84Confident62 Ų6263.7 Ų63.727%0.2735%0.35SS..EExtended strand (participates in β ladder)trans-115.1151.5177.7-62.7-172.3176.7-170.60110.4M343 I372M343-K357 HydrophobicContact CE-CD 3.91Å; K357-I372 PolarHBondContact N-O 2.83Å; K357-I372 PolarHBondContact O-N 2.85Å
358K93.6Very high83.9Confident68 Ų6861.8 Ų61.830%0.29635%0.345SS..EExtended strand (participates in β ladder)trans-71.4148.7166.9-170.2177.6179-177.40108.8D344 L348 D369D344-K358 HydrophobicContact CB-CB 4.05Å; D344-K358 VanDerWaalsContact CB-O 3.3Å; D344-K358 WeakPolarHBondContact CB-O 3.45Å; D344-K358 PolarHBondContact N-O 3.07Å; L348-K358 HydrophobicContact CD1-CB 4.12Å; L348-K358 HydrophobicContact CD2-CB 4.24Å; L348-K358 HydrophobicContact CG-CB 4.23Å; K358-D369 VanDerWaalsContact CE-OD2 3.24Å; K358-D369 WeakPolarHBondContact CE-OD2 3.49Å; K358-D369 IonicContact NZ-OD2 3.27Å; K358-D369 PolarHBondContact NZ-OD2 2.98Å
359G93.6Very high84.2Confident3 Ų361.6 Ų61.63%0.03134%0.344CS..EExtended strand (participates in β ladder)trans-157.6-177.7170.100000113.1I342 V370I342-G359 CarbonylContact O-C 3.55Å; I342-G359 WeakPolarHBondContact O-CA 3.3Å; G359-V370 VanDerWaalsContact C-CG2 3.47Å; G359-V370 PolarHBondContact N-O 2.87Å; G359-V370 WeakPolarHBondContact O-CG2 2.99Å; G359-V370 PolarHBondContact O-N 2.78Å
360V93.6Very high84.6Confident29 Ų2960.2 Ų60.218%0.17633%0.33CS..EExtended strand (participates in β ladder)trans-128.3128.3175.11790000108.5I342 Q367 V368I342-V360 HydrophobicContact CB-CB 4.37Å; I342-V360 PolarHBondContact N-O 2.99Å; I342-V360 PolarHBondContact O-N 2.68Å; V360-Q367 HydrophobicContact CG1-CB 3.72Å; V360-Q367 HydrophobicContact CG1-CG 4.05Å; V360-V368 WeakPolarHBondContact CA-O 3.01Å
361L91.7Very high85.2Confident9 Ų956.2 Ų56.25%0.04730%0.303CS..EExtended strand (participates in β ladder)trans-96.4121.2171.3176.562.9000109.4I336 Q340 L341 K363 Q367 V368 V370 L406I336-L361 HydrophobicContact CD1-CD1 4.37Å; I336-L361 HydrophobicContact CD1-CD2 4.2Å; I336-L361 HydrophobicContact CG2-CD1 3.69Å; Q340-L361 HydrophobicContact CB-CD1 4.05Å; L341-L361 HydrophobicContact CD2-CB 4.16Å; L341-L361 HydrophobicContact CD2-CD1 3.72Å; L341-L361 HydrophobicContact CG-CD1 4.35Å; L361-K363 HydrophobicContact CD2-CD 4.45Å; L361-K363 HydrophobicContact CD2-CG 4.19Å; L361-K363 HydrophobicContact CG-CG 4.02Å; L361-Q367 WeakPolarHBondContact O-CA 3.39Å; L361-V368 PolarHBondContact N-O 2.84Å; L361-V368 PolarHBondContact O-N 2.92Å; L361-V370 HydrophobicContact CB-CG1 3.71Å; L361-V370 HydrophobicContact CB-CG2 4.26Å; L361-L406 HydrophobicContact CD2-CD1 4.29Å
362R90.6Very high86.2Confident122 Ų12254.3 Ų54.346%0.4628%0.283SS..EExtended strand (participates in β ladder)trans-82.9119.1172.2-64.5-179.6-178-103.6-1.4109.5Q340 I342 Q367Q340-R362 PolarHBondContact O-N 3.16Å; I342-R362 VanDerWaalsContact CD1-NH2 3.29Å; R362-Q367 HydrophobicContact CG-CG 4.33Å
363K82.7Confident87.3Confident60 Ų6050.5 Ų50.526%0.26126%0.262SS..EExtended strand (participates in β ladder)trans-116.2166.5175-56.2-168.1179.4-178.70110.2E330 L361 S365 G366 V368E330-K363 WeakPolarHBondContact OE1-CD 3.38Å; E330-K363 WeakPolarHBondContact OE1-CE 3.33Å; E330-K363 IonicContact OE1-NZ 2.79Å; E330-K363 PolarHBondContact OE1-NZ 3.13Å; L361-K363 HydrophobicContact CD2-CD 4.45Å; L361-K363 HydrophobicContact CD2-CG 4.19Å; L361-K363 HydrophobicContact CG-CG 4.02Å; K363-S365 PolarHBondContact O-N 2.86Å; K363-G366 CarbonylContact C-O 3.57Å; K363-G366 WeakPolarHBondContact CA-O 3.37Å; K363-G366 PolarHBondContact N-O 3.32Å; K363-G366 PolarHBondContact O-N 2.81Å; K363-V368 HydrophobicContact CD-CG2 4.11Å
364E78.7Confident88.3Confident188 Ų18848.3 Ų48.388%0.87925%0.254SS*.THydrogen-bonded Turntrans-62.1-32.2173.1-66.9171.1-156.600111.5K333K333-E364 IonicContact NZ-OE1 3.72Å
365S74.6Confident88.5Confident69 Ų6948.9 Ų48.948%0.48326%0.255SS..THydrogen-bonded Turntrans-81.8-8.7178.749.50000114.6E330 K363E330-S365 PolarHBondContact OE2-OG 3.32Å; K363-S365 PolarHBondContact O-N 2.86Å
366G83.1Confident88Confident35 Ų3552.8 Ų52.836%0.36127%0.269SS..EExtended strand (participates in β ladder)trans141.4-157.6-177.700000113.7K363K363-G366 CarbonylContact C-O 3.57Å; K363-G366 WeakPolarHBondContact CA-O 3.37Å; K363-G366 PolarHBondContact N-O 3.32Å; K363-G366 PolarHBondContact O-N 2.81Å
367Q88Confident86.5Confident121 Ų12154.7 Ų54.757%0.56528%0.284SS*.EExtended strand (participates in β ladder)trans-111.2138.9177-71.3-176.4-0.100110.1V360 L361 R362V360-Q367 HydrophobicContact CG1-CB 3.72Å; V360-Q367 HydrophobicContact CG1-CG 4.05Å; L361-Q367 WeakPolarHBondContact O-CA 3.39Å; R362-Q367 HydrophobicContact CG-CG 4.33Å
368V87.8Confident84.9Confident55 Ų5560.2 Ų60.233%0.33331%0.311SS..EExtended strand (participates in β ladder)trans-125.7130.9-179.7-177.40000109.4V360 L361 K363 V370V360-V368 WeakPolarHBondContact CA-O 3.01Å; L361-V368 PolarHBondContact N-O 2.84Å; L361-V368 PolarHBondContact O-N 2.92Å; K363-V368 HydrophobicContact CD-CG2 4.11Å; V368-V370 HydrophobicContact CG1-CG1 4.44Å
369D90.8Very high83.1Confident78 Ų7860 Ų6042%0.41731%0.313SS..EExtended strand (participates in β ladder)trans-67.7130171.4-90.712.7000109.9K358 M420K358-D369 VanDerWaalsContact CE-OD2 3.24Å; K358-D369 WeakPolarHBondContact CE-OD2 3.49Å; K358-D369 IonicContact NZ-OD2 3.27Å; K358-D369 PolarHBondContact NZ-OD2 2.98Å; D369-M420 HydrophobicContact CB-CB 4.26Å; D369-M420 WeakPolarHBondContact O-CB 3.49Å
370V92.5Very high81.4Confident0 Ų067 Ų670%035%0.345CS..EExtended strand (participates in β ladder)trans-132.3154.6-175.2-64.20000112.1L341 G359 L361 V368 I372 L406 V417 M418L341-V370 HydrophobicContact CD2-CG2 4.46Å; G359-V370 VanDerWaalsContact C-CG2 3.47Å; G359-V370 PolarHBondContact N-O 2.87Å; G359-V370 WeakPolarHBondContact O-CG2 2.99Å; G359-V370 PolarHBondContact O-N 2.78Å; L361-V370 HydrophobicContact CB-CG1 3.71Å; L361-V370 HydrophobicContact CB-CG2 4.26Å; V368-V370 HydrophobicContact CG1-CG1 4.44Å; V370-I372 HydrophobicContact CG2-CD1 3.99Å; V370-I372 HydrophobicContact CG2-CG1 3.87Å; V370-L406 HydrophobicContact CG1-CD1 3.48Å; V370-L406 VanDerWaalsContact CG1-CD1 3.48Å; V370-V417 HydrophobicContact CB-CG1 3.89Å; V370-V417 HydrophobicContact CG1-CG1 3.94Å; V370-V417 HydrophobicContact CG2-CG1 4.04Å; V370-M418 WeakPolarHBondContact CA-O 3.06Å; V370-M418 WeakPolarHBondContact CB-O 3.39Å
371A92.8Very high79.9Confident11 Ų1174.4 Ų74.49%0.09137%0.374CS..EExtended strand (participates in β ladder)trans-101.3127165.900000109.1V356 M418 M420V356-A371 HydrophobicContact CG1-CB 4.15Å; A371-M418 HydrophobicContact CB-CB 4.47Å; A371-M418 HydrophobicContact CB-CE 4.27Å; A371-M418 PolarHBondContact N-O 2.87Å; A371-M418 PolarHBondContact O-N 2.88Å; A371-M420 HydrophobicContact CB-SD 4.18Å
372I92.3Very high78.3Confident0 Ų080.1 Ų80.10%041%0.405CS..EExtended strand (participates in β ladder)trans-114.7109.6-174.2-57.6169000108.5L341 M343 V356 K357 V370 V374 M415 L416L341-I372 HydrophobicContact CD2-CD1 4.17Å; M343-I372 HydrophobicContact CE-CG2 4.02Å; M343-I372 HydrophobicContact CG-CD1 3.64Å; V356-I372 CarbonylContact C-O 3.46Å; V356-I372 WeakPolarHBondContact CA-O 3.22Å; K357-I372 PolarHBondContact N-O 2.83Å; K357-I372 PolarHBondContact O-N 2.85Å; V370-I372 HydrophobicContact CG2-CD1 3.99Å; V370-I372 HydrophobicContact CG2-CG1 3.87Å; I372-V374 HydrophobicContact CG2-CG2 4.44Å; I372-M415 HydrophobicContact CG2-CB 3.95Å; I372-M415 HydrophobicContact CG2-CG 4.08Å; I372-M415 HydrophobicContact CG2-SD 4.03Å; I372-L416 WeakPolarHBondContact CA-O 3.46Å
373K89.7Confident77.1Confident13 Ų1377.2 Ų77.26%0.05740%0.4CS..EExtended strand (participates in β ladder)trans-90.1108.7175.8-173.8174.3-178.6-176.60109.5C355 V356 L375 M415 L416 M418 D483C355-K373 CarbonylContact O-C 3.46Å; C355-K373 WeakPolarHBondContact O-CA 3.27Å; V356-K373 HydrophobicContact CG2-CB 4.23Å; V356-K373 HydrophobicContact CG2-CG 4.12Å; K373-L375 HydrophobicContact CD-CD2 4.22Å; K373-L375 HydrophobicContact CG-CD2 4.05Å; K373-M415 WeakPolarHBondContact O-CA 3.45Å; K373-L416 HydrophobicContact CB-CB 4.26Å; K373-L416 HydrophobicContact CD-CD1 4.41Å; K373-L416 PolarHBondContact N-O 2.9Å; K373-L416 PolarHBondContact O-N 3.14Å; K373-M418 HydrophobicContact CB-CE 3.72Å; K373-D483 IonicContact NZ-OD1 2.68Å; K373-D483 PolarHBondContact NZ-OD1 3.1Å
374V89Confident76.4Confident19 Ų1979.6 Ų79.612%0.11541%0.41CS..EExtended strand (participates in β ladder)trans-86.4114.7176.8-170.70000108.6M343 G354 C355 I372 H413 M415M343-V374 HydrophobicContact CE-CG2 3.67Å; G354-V374 WeakPolarHBondContact CA-O 3.3Å; C355-V374 PolarHBondContact N-O 2.76Å; C355-V374 PolarHBondContact O-N 3.32Å; I372-V374 HydrophobicContact CG2-CG2 4.44Å; V374-H413 HydrophobicContact CG1-CB 3.57Å; V374-M415 HydrophobicContact CB-CG 4.49Å; V374-M415 HydrophobicContact CG1-CG 4.4Å; V374-M415 HydrophobicContact CG2-CG 4.15Å
375L82.6Confident76.1Confident18 Ų1875.4 Ų75.49%0.09439%0.394CS..EExtended strand (participates in β ladder)trans-84.8145.9-176.1-58174.4000111.3K373 M387 L414 L416K373-L375 HydrophobicContact CD-CD2 4.22Å; K373-L375 HydrophobicContact CG-CD2 4.05Å; L375-M387 HydrophobicContact CD1-CE 4.35Å; L375-M387 HydrophobicContact CD1-SD 3.51Å; L375-M387 VanDerWaalsContact CD1-SD 3.51Å; L375-L414 WeakPolarHBondContact CB-O 3.38Å; L375-L414 HydrophobicContact CD1-CB 4.37Å; L375-L414 HydrophobicContact CD1-CD2 4Å; L375-L414 HydrophobicContact CD1-CG 4.25Å; L375-L414 PolarHBondContact N-O 2.79Å; L375-L416 HydrophobicContact CD1-CD1 4.31Å; L375-L416 HydrophobicContact CD1-CD2 4.36Å; L375-L416 HydrophobicContact CD1-CG 4.08Å; L375-L416 HydrophobicContact CD2-CD1 4.43Å
376K76.3Confident75.9Confident110 Ų11076 Ų7648%0.47839%0.389SS..  trans-70.3138.6179.6-63.4177.9-176.5163.60111.1G351 N352 F353 E378G351-K376 PolarHBondContact O-NZ 3.24Å; N352-K376 PolarHBondContact O-NZ 3.15Å; F353-K376 PolarHBondContact O-N 3.26Å; K376-E378 VanDerWaalsContact C-N 3.27Å; K376-E378 PolarHBondContact O-N 3.29Å
377S60.3Low75.4Confident79 Ų7976 Ų7655%0.55238%0.38SS*.THydrogen-bonded Turntrans-78.39.7-171.8-62.60000116.2N379 H413S377-N379 VanDerWaalsContact C-N 3.29Å; S377-N379 PolarHBondContact O-N 3.12Å; S377-H413 PolarHBondContact OG-CE1 3.48Å; S377-H413 PolarHBondContact OG-ND1 3.05Å
378E58Low74.9Confident177 Ų17772.9 Ų72.983%0.82737%0.367SS*.THydrogen-bonded Turntrans-834.2-171.4-65-177169.800114.9K376K376-E378 VanDerWaalsContact C-N 3.27Å; K376-E378 PolarHBondContact O-N 3.29Å
379N55.8Low74.5Confident64 Ų6477.3 Ų77.334%0.34238%0.377SS..  trans-83.7121.2-170.3-75.3-9.5000113.1S377 V383 K384S377-N379 VanDerWaalsContact C-N 3.29Å; S377-N379 PolarHBondContact O-N 3.12Å; N379-V383 HydrophobicContact CB-CB 3.9Å; N379-V383 HydrophobicContact CB-CG1 3.78Å; N379-V383 VanDerWaalsContact CG-CG1 3.44Å; N379-V383 WeakPolarHBondContact ND2-CG1 3.48Å; N379-K384 HydrophobicContact CB-CG 4.42Å
380E59Low73.8Confident149 Ų14975.5 Ų75.570%0.69637%0.366SS*.  trans-50.8152.3167-67.5-180169.600111.4L382 V383 K384E380-L382 PolarHBondContact O-N 2.78Å; E380-V383 HydrophobicContact CB-CG2 4.49Å; E380-V383 WeakPolarHBondContact O-CB 3.39Å; E380-V383 PolarHBondContact O-N 2.73Å; E380-K384 PolarHBondContact O-N 2.91Å
381K61.4Low73.3Confident185 Ų18575.7 Ų75.780%0.80437%0.368SS*.Hα-helixtrans-46.8-41.4-177.4-99.8-178.3174.3-179.10113.8V383 K384 D385K381-V383 VanDerWaalsContact C-N 3.34Å; K381-V383 PolarHBondContact O-N 2.82Å; K381-K384 WeakPolarHBondContact O-CB 3.37Å; K381-K384 PolarHBondContact O-N 3.1Å; K381-D385 PolarHBondContact O-N 2.95Å
382L58.8Low72.9Confident130 Ų13079.7 Ų79.768%0.68138%0.384SS*.Hα-helixtrans-65.5-33.5-179.9-69.5169.3000113.5E380 K384 E386E380-L382 PolarHBondContact O-N 2.78Å; L382-K384 VanDerWaalsContact C-N 3.31Å; L382-E386 PolarHBondContact O-N 3.44Å
383V64Low72.5Confident61 Ų6182 Ų8237%0.3740%0.396SS..Hα-helixtrans-72.2-29.6177.8-1790000110.7N379 E380 K381 M387N379-V383 HydrophobicContact CB-CB 3.9Å; N379-V383 HydrophobicContact CB-CG1 3.78Å; N379-V383 VanDerWaalsContact CG-CG1 3.44Å; N379-V383 WeakPolarHBondContact ND2-CG1 3.48Å; E380-V383 HydrophobicContact CB-CG2 4.49Å; E380-V383 WeakPolarHBondContact O-CB 3.39Å; E380-V383 PolarHBondContact O-N 2.73Å; K381-V383 VanDerWaalsContact C-N 3.34Å; K381-V383 PolarHBondContact O-N 2.82Å; V383-M387 WeakPolarHBondContact O-CB 3.37Å; V383-M387 PolarHBondContact O-N 2.88Å; V383-M387 VanDerWaalsContact O-N 3.13Å
384K69.2Low72.2Confident109 Ų10982.1 Ų82.147%0.47440%0.397SS..Hα-helixtrans-67.5-41.8175-67.8-174.6177.7-176.70112.4N379 E380 K381 L382 M387 M388N379-K384 HydrophobicContact CB-CG 4.42Å; E380-K384 PolarHBondContact O-N 2.91Å; K381-K384 WeakPolarHBondContact O-CB 3.37Å; K381-K384 PolarHBondContact O-N 3.1Å; L382-K384 VanDerWaalsContact C-N 3.31Å; K384-M387 HydrophobicContact CG-CE 4.4Å; K384-M387 PolarHBondContact O-N 3.41Å; K384-M388 WeakPolarHBondContact O-CB 3.37Å; K384-M388 VanDerWaalsContact O-CG 3.28Å; K384-M388 WeakPolarHBondContact O-CG 3.27Å; K384-M388 PolarHBondContact O-N 3.15Å
385D72.6Confident72.1Confident101 Ų10182.3 Ų82.354%0.5440%0.397SS..Hα-helixtrans-68.3-40.8-179.2-66.4-17.4000112.3K381 M388 R389K381-D385 PolarHBondContact O-N 2.95Å; D385-M388 PolarHBondContact O-N 2.79Å; D385-R389 PolarHBondContact O-N 2.92Å; D385-R389 VanDerWaalsContact O-N 3.12Å
386E70.8Confident72.3Confident80 Ų8088 Ų8837%0.37442%0.423SS..Hα-helixtrans-62.9-43.2173.4-70.4-165.3174.700111.5L382 M388 R389 E390 K488L382-E386 PolarHBondContact O-N 3.44Å; E386-M388 PolarHBondContact O-N 2.99Å; E386-R389 PolarHBondContact O-N 2.61Å; E386-E390 WeakPolarHBondContact O-CG 3.45Å; E386-E390 PolarHBondContact O-N 2.81Å; E386-K488 IonicContact OE2-NZ 3.43Å; E386-K488 PolarHBondContact OE2-NZ 3.22Å
387M71.9Confident72.9Confident36 Ų3683.2 Ų83.218%0.17740%0.402CS..Hα-helixtrans-66.1-36.9179.2-177.5176.86000112.9L375 V383 K384 E390 A391 L414L375-M387 HydrophobicContact CD1-CE 4.35Å; L375-M387 HydrophobicContact CD1-SD 3.51Å; L375-M387 VanDerWaalsContact CD1-SD 3.51Å; V383-M387 WeakPolarHBondContact O-CB 3.37Å; V383-M387 PolarHBondContact O-N 2.88Å; V383-M387 VanDerWaalsContact O-N 3.13Å; K384-M387 HydrophobicContact CG-CE 4.4Å; K384-M387 PolarHBondContact O-N 3.41Å; M387-E390 PolarHBondContact O-N 3.4Å; M387-A391 WeakPolarHBondContact O-CB 3.26Å; M387-A391 PolarHBondContact O-N 2.89Å; M387-L414 HydrophobicContact CE-CD2 3.15Å; M387-L414 HydrophobicContact SD-CD2 4.05Å
388M77.9Confident74.2Confident56 Ų5681.7 Ų81.728%0.27639%0.388SS..Hα-helixtrans-65.2-42.5174-75.1-66-64.900111.4F334 K384 D385 E386 E390 A391 E392 L408F334-M388 HydrophobicContact CE1-CE 3.92Å; F334-M388 HydrophobicContact CZ-CE 4.45Å; K384-M388 WeakPolarHBondContact O-CB 3.37Å; K384-M388 VanDerWaalsContact O-CG 3.28Å; K384-M388 WeakPolarHBondContact O-CG 3.27Å; K384-M388 PolarHBondContact O-N 3.15Å; D385-M388 PolarHBondContact O-N 2.79Å; E386-M388 PolarHBondContact O-N 2.99Å; M388-E390 VanDerWaalsContact C-N 3.35Å; M388-E390 PolarHBondContact O-N 3.33Å; M388-A391 WeakPolarHBondContact O-CB 3.46Å; M388-A391 PolarHBondContact O-N 2.96Å; M388-E392 WeakPolarHBondContact O-CG 3.5Å; M388-E392 PolarHBondContact O-N 2.8Å; M388-L408 HydrophobicContact CE-CD2 3.73Å; M388-L408 HydrophobicContact SD-CD1 3.95Å; M388-L408 HydrophobicContact SD-CD2 3.65Å; M388-L408 HydrophobicContact SD-CG 4.47Å
389R78.7Confident75.7Confident148 Ų14873.4 Ų73.456%0.55835%0.35SS*.Hα-helixtrans-62.2-42.7175-170.7-175.2-64.2121.51.2111.7D385 E386 E392 I393D385-R389 PolarHBondContact O-N 2.92Å; D385-R389 VanDerWaalsContact O-N 3.12Å; E386-R389 PolarHBondContact O-N 2.61Å; R389-E392 PolarHBondContact O-N 3.18Å; R389-I393 WeakPolarHBondContact O-CG1 3.35Å; R389-I393 PolarHBondContact O-N 3.08Å
390E76.8Confident77.4Confident40 Ų4070.6 Ų70.619%0.18734%0.335CS..Hα-helixtrans-63.9-41.8175.9-73.7173.1-177.200111.4E386 M387 M388 E392 I393 M394E386-E390 WeakPolarHBondContact O-CG 3.45Å; E386-E390 PolarHBondContact O-N 2.81Å; M387-E390 PolarHBondContact O-N 3.4Å; M388-E390 VanDerWaalsContact C-N 3.35Å; M388-E390 PolarHBondContact O-N 3.33Å; E390-E392 PolarHBondContact O-N 3.27Å; E390-I393 PolarHBondContact O-N 2.81Å; E390-M394 WeakPolarHBondContact O-CB 3.23Å; E390-M394 VanDerWaalsContact O-CG 3.25Å; E390-M394 WeakPolarHBondContact O-CG 3.38Å; E390-M394 PolarHBondContact O-N 2.77Å
391A82Confident79.1Confident3 Ų363.5 Ų63.53%0.02530%0.302CS..Hα-helixtrans-61.4-41.2175.100000112.9F334 M387 M388 I393 M394 H395 M405 L408 L416F334-A391 HydrophobicContact CE2-CB 4.23Å; F334-A391 HydrophobicContact CZ-CB 3.96Å; M387-A391 WeakPolarHBondContact O-CB 3.26Å; M387-A391 PolarHBondContact O-N 2.89Å; M388-A391 WeakPolarHBondContact O-CB 3.46Å; M388-A391 PolarHBondContact O-N 2.96Å; A391-I393 VanDerWaalsContact C-N 3.33Å; A391-I393 PolarHBondContact O-N 2.85Å; A391-M394 PolarHBondContact O-N 3.11Å; A391-H395 WeakPolarHBondContact O-CB 3.45Å; A391-H395 PolarHBondContact O-N 3.34Å; A391-M405 HydrophobicContact CB-CE 3.91Å; A391-M405 HydrophobicContact CB-SD 4.22Å; A391-L408 HydrophobicContact CB-CD1 3.94Å; A391-L416 HydrophobicContact CB-CD2 4.44Å
392E83.9Confident80.7Confident95 Ų9554.8 Ų54.844%0.44426%0.264SS..Hα-helixtrans-61.5-41.2175.9-76.3173.4-17400112.1F334 M388 R389 E390 H395 Q396F334-E392 HydrophobicContact CE1-CG 3.94Å; F334-E392 HydrophobicContact CE2-CG 4.09Å; F334-E392 HydrophobicContact CZ-CB 4.48Å; F334-E392 HydrophobicContact CZ-CG 3.67Å; M388-E392 WeakPolarHBondContact O-CG 3.5Å; M388-E392 PolarHBondContact O-N 2.8Å; R389-E392 PolarHBondContact O-N 3.18Å; E390-E392 PolarHBondContact O-N 3.27Å; E392-H395 PolarHBondContact O-N 3.36Å; E392-Q396 WeakPolarHBondContact O-CG 3.21Å; E392-Q396 PolarHBondContact O-N 3.07Å; E392-Q396 PolarHBondContact O-NE2 3.02Å
393I83.3Confident82.2Confident48 Ų4848.8 Ų48.825%0.24623%0.233CC..Hα-helixtrans-69.5-44.9177-63.1171.2000110R389 E390 A391 H395 Q396 L397 F461 A489R389-I393 WeakPolarHBondContact O-CG1 3.35Å; R389-I393 PolarHBondContact O-N 3.08Å; E390-I393 PolarHBondContact O-N 2.81Å; A391-I393 VanDerWaalsContact C-N 3.33Å; A391-I393 PolarHBondContact O-N 2.85Å; I393-H395 PolarHBondContact O-N 3.38Å; I393-Q396 WeakPolarHBondContact O-CB 3.36Å; I393-Q396 PolarHBondContact O-N 2.95Å; I393-L397 PolarHBondContact O-N 2.63Å; I393-F461 HydrophobicContact CG2-CD2 3.83Å; I393-F461 HydrophobicContact CG2-CE2 3.9Å; I393-A489 HydrophobicContact CD1-CB 3.25Å; I393-A489 HydrophobicContact CG1-CB 4.44Å; I393-A489 HydrophobicContact CG2-CB 4.14Å
394M83.8Confident83.5Confident17 Ų1746.4 Ų46.48%0.08422%0.217CC..Hα-helixtrans-57.9-34.7176.1-74.9173.153.500112.9E390 A391 Q396 L397 M405 F461 F484E390-M394 WeakPolarHBondContact O-CB 3.23Å; E390-M394 VanDerWaalsContact O-CG 3.25Å; E390-M394 WeakPolarHBondContact O-CG 3.38Å; E390-M394 PolarHBondContact O-N 2.77Å; A391-M394 PolarHBondContact O-N 3.11Å; M394-Q396 VanDerWaalsContact C-N 3.28Å; M394-Q396 PolarHBondContact O-N 3.08Å; M394-L397 PolarHBondContact O-N 3.22Å; M394-M405 HydrophobicContact CB-CB 4.39Å; M394-M405 HydrophobicContact CB-SD 3.91Å; M394-M405 HydrophobicContact CE-SD 4.16Å; M394-F461 HydrophobicContact CG-CE2 4.27Å; M394-F461 HydrophobicContact CG-CZ 3.82Å; M394-F484 HydrophobicContact CE-CB 3.65Å; M394-F484 HydrophobicContact CE-CD2 3.76Å; M394-F484 HydrophobicContact CE-CG 4.11Å; M394-F484 HydrophobicContact CG-CB 4.28Å; M394-F484 HydrophobicContact SD-CB 3.63Å; M394-F484 HydrophobicContact SD-CG 4.42Å
395H86.9Confident84.4Confident22 Ų2241.6 Ų41.610%0.10220%0.197CC..Hα-helixtrans-69.4-25.3176.2-175.461.2000113.4F334 A391 E392 I393 M405 L406F334-H395 HydrophobicContact CD2-CB 3.78Å; F334-H395 AromaticContact CD2-CD2 3.75Å; F334-H395 AromaticContact CD2-CG 3.73Å; F334-H395 HydrophobicContact CE2-CB 3.99Å; A391-H395 WeakPolarHBondContact O-CB 3.45Å; A391-H395 PolarHBondContact O-N 3.34Å; E392-H395 PolarHBondContact O-N 3.36Å; I393-H395 PolarHBondContact O-N 3.38Å; H395-M405 PolarHBondContact ND1-O 3.44Å; H395-L406 PolarHBondContact CE1-O 2.81Å; H395-L406 VanDerWaalsContact CE1-O 3.23Å
396Q86.6Confident85.2Confident137 Ų13738.5 Ų38.564%0.6418%0.18SC*.Hα-helixtrans-82.1-22.4175.5-65.4172.74000112.5E392 I393 M394 D398E392-Q396 WeakPolarHBondContact O-CG 3.21Å; E392-Q396 PolarHBondContact O-N 3.07Å; E392-Q396 PolarHBondContact O-NE2 3.02Å; I393-Q396 WeakPolarHBondContact O-CB 3.36Å; I393-Q396 PolarHBondContact O-N 2.95Å; M394-Q396 VanDerWaalsContact C-N 3.28Å; M394-Q396 PolarHBondContact O-N 3.08Å; Q396-D398 PolarHBondContact O-N 3.41Å
397L88.6Confident86.1Confident10 Ų1034.7 Ų34.75%0.05216%0.162CC..  trans-64.4129.5176.3-60.5178.9000110.3I393 M394 I402 Y455 L456 K459 F461I393-L397 PolarHBondContact O-N 2.63Å; M394-L397 PolarHBondContact O-N 3.22Å; L397-I402 HydrophobicContact CB-CD1 3.6Å; L397-Y455 HydrophobicContact CB-CE1 4.24Å; L397-Y455 HydrophobicContact CD2-CE1 4Å; L397-L456 HydrophobicContact CD1-CD2 3.72Å; L397-L456 HydrophobicContact CD2-CD2 4.39Å; L397-K459 HydrophobicContact CD2-CB 4.03Å; L397-K459 HydrophobicContact CD2-CG 4.05Å; L397-F461 HydrophobicContact CD1-CD1 4.12Å; L397-F461 HydrophobicContact CD1-CD2 4.21Å; L397-F461 HydrophobicContact CD1-CE1 4.1Å; L397-F461 HydrophobicContact CD1-CE2 4.22Å; L397-F461 HydrophobicContact CD1-CG 4.16Å; L397-F461 HydrophobicContact CD1-CZ 4.16Å
398D88.1Confident87Confident47 Ų4733 Ų3325%0.25115%0.154SC..  trans-146.395.9-173.1-163.70.9000110.4Y325 K332 Q396 R404 Y455Y325-D398 WeakPolarHBondContact CE2-OD2 3.04Å; Y325-D398 VanDerWaalsContact CZ-OD2 3.28Å; Y325-D398 PolarHBondContact OH-OD2 3.04Å; K332-D398 IonicContact NZ-OD2 2.82Å; Q396-D398 PolarHBondContact O-N 3.41Å; D398-R404 IonicContact OD1-CZ 2.68Å; D398-R404 IonicContact OD1-NE 2.92Å; D398-R404 PolarHBondContact OD1-NE 2.94Å; D398-R404 IonicContact OD1-NH2 3.88Å; D398-Y455 PolarHBondContact N-OH 3.44Å; D398-Y455 WeakPolarHBondContact O-CE2 3.46Å; D398-Y455 PolarHBondContact O-OH 3.06Å
399N90.5Very high87.6Confident3 Ų330.4 Ų30.42%0.01614%0.141CC..  trans-148.3142.9175.8-178.6-81.3000108.5Q141 F401 I402 Y455Q141-N399 PolarHBondContact OE1-ND2 2.78Å; N399-F401 PolarHBondContact O-N 3.42Å; N399-F401 WeakPolarHBondContact OD1-CB 3.43Å; N399-F401 PolarHBondContact OD1-N 3.41Å; N399-I402 HydrophobicContact CB-CD1 4.07Å; N399-I402 HydrophobicContact CB-CG1 3.97Å; N399-I402 WeakPolarHBondContact O-CG1 3.5Å; N399-I402 PolarHBondContact O-N 3.47Å; N399-Y455 HydrophobicContact CB-CD1 3.57Å; N399-Y455 HydrophobicContact CB-CD2 3.98Å; N399-Y455 HydrophobicContact CB-CE1 3.83Å; N399-Y455 HydrophobicContact CB-CE2 4.18Å; N399-Y455 HydrophobicContact CB-CG 3.65Å
400P91.5Very high88.1Confident6 Ų629.4 Ų29.44%0.03915%0.147CC..THydrogen-bonded Turntrans-62.9-25.9-179.422.5-33.3000113.9Q141 F322 F478 K480Q141-P400 HydrophobicContact CB-CG 3.76Å; Q141-P400 HydrophobicContact CG-CG 4.14Å; F322-P400 HydrophobicContact CD1-CB 4Å; F322-P400 HydrophobicContact CD2-CB 3.8Å; F322-P400 HydrophobicContact CE1-CB 3.7Å; F322-P400 HydrophobicContact CE1-CG 3.84Å; F322-P400 HydrophobicContact CE2-CB 3.52Å; F322-P400 HydrophobicContact CE2-CG 4.01Å; F322-P400 HydrophobicContact CG-CB 4.05Å; F322-P400 HydrophobicContact CZ-CB 3.5Å; F322-P400 VanDerWaalsContact CZ-CB 3.5Å; F322-P400 HydrophobicContact CZ-CG 3.55Å; P400-F478 WeakPolarHBondContact O-CE2 3.21Å; P400-F478 WeakPolarHBondContact O-CZ 3.42Å; P400-K480 WeakPolarHBondContact O-CE 3.29Å; P400-K480 PolarHBondContact O-NZ 3.43Å
401F94.8Very high88.6Confident0 Ų029.4 Ų29.40%015%0.153CC..THydrogen-bonded Turntrans-98.114.6-175.2-52.3-63.7000113.8Q141 S145 F322 N399 Q448 M451 F478 K480 I481Q141-F401 HydrophobicContact CB-CE2 4.19Å; S145-F401 VanDerWaalsContact CB-CZ 3.49Å; F322-F401 HydrophobicContact CE2-CE1 4.27Å; F322-F401 HydrophobicContact CE2-CZ 4.06Å; F322-F401 HydrophobicContact CZ-CZ 4.35Å; N399-F401 PolarHBondContact O-N 3.42Å; N399-F401 WeakPolarHBondContact OD1-CB 3.43Å; N399-F401 PolarHBondContact OD1-N 3.41Å; F401-Q448 WeakPolarHBondContact CB-O 3.39Å; F401-Q448 HydrophobicContact CD1-CB 3.55Å; F401-Q448 HydrophobicContact CD1-CG 3.8Å; F401-Q448 HydrophobicContact CE1-CB 3.85Å; F401-Q448 HydrophobicContact CE1-CG 3.53Å; F401-Q448 HydrophobicContact CG-CB 4.12Å; F401-Q448 HydrophobicContact CZ-CG 4.21Å; F401-M451 HydrophobicContact CD2-CB 3.81Å; F401-M451 HydrophobicContact CD2-CE 4.21Å; F401-M451 HydrophobicContact CD2-SD 4.32Å; F401-M451 HydrophobicContact CE2-CB 4.22Å; F401-M451 HydrophobicContact CE2-CE 3.5Å; F401-M451 HydrophobicContact CE2-SD 3.8Å; F401-M451 HydrophobicContact CZ-CE 4.3Å; F401-M451 HydrophobicContact CZ-SD 4.31Å; F401-F478 HydrophobicContact CD1-CD2 4.22Å; F401-F478 AromaticContact CD1-CE2 3.77Å; F401-F478 HydrophobicContact CD1-CE2 3.77Å; F401-F478 HydrophobicContact CE1-CD2 4.19Å; F401-F478 AromaticContact CE1-CE2 3.86Å; F401-F478 HydrophobicContact CE1-CE2 3.86Å; F401-K480 CarbonylContact O-C 3.55Å; F401-K480 WeakPolarHBondContact O-CA 3.27Å; F401-I481 PolarHBondContact O-N 3.15Å
402I93.4Very high88.7Confident1 Ų136.4 Ų36.41%0.00519%0.185CC..BIsolated β-bridgetrans-120.4148.8167.467.8177.3000109.3L397 N399 R404 Y455 L456 I481 F484L397-I402 HydrophobicContact CB-CD1 3.6Å; N399-I402 HydrophobicContact CB-CD1 4.07Å; N399-I402 HydrophobicContact CB-CG1 3.97Å; N399-I402 WeakPolarHBondContact O-CG1 3.5Å; N399-I402 PolarHBondContact O-N 3.47Å; I402-R404 PolarHBondContact O-N 3.27Å; I402-Y455 HydrophobicContact CD1-CD1 4.29Å; I402-Y455 HydrophobicContact CD1-CE1 4Å; I402-L456 HydrophobicContact CG2-CD2 4.43Å; I402-L456 HydrophobicContact CG2-CG 4.43Å; I402-I481 CarbonylContact C-O 3.55Å; I402-I481 WeakPolarHBondContact CA-O 3.37Å; I402-I481 HydrophobicContact CG2-CB 4.35Å; I402-I481 HydrophobicContact CG2-CD1 4.33Å; I402-F484 HydrophobicContact CB-CZ 4.09Å; I402-F484 HydrophobicContact CG2-CZ 4.4Å
403V92.1Very high88.8Confident5 Ų535.5 Ų35.53%0.0318%0.181CC..  trans-72.2104.7171.2174.70000108M418 E419 L472 K480 I481V403-M418 HydrophobicContact CG1-CB 3.9Å; V403-E419 VanDerWaalsContact CA-OE1 3.23Å; V403-E419 WeakPolarHBondContact CA-OE1 3.4Å; V403-E419 HydrophobicContact CG1-CG 3.92Å; V403-L472 HydrophobicContact CG2-CD1 4.32Å; V403-K480 HydrophobicContact CG2-CB 3.69Å; V403-K480 HydrophobicContact CG2-CD 4.4Å; V403-I481 WeakPolarHBondContact CB-O 3.48Å; V403-I481 PolarHBondContact N-O 3.1Å
404R89.5Confident88.9Confident11 Ų1134.5 Ų34.54%0.04218%0.176CC..  trans-67.4140.4-178.3-62.4-172.3-170.590.8-4.9112.6G321 F322 P324 D398 I402 M418 E419G321-R404 PolarHBondContact O-NH1 3.4Å; F322-R404 PolarHBondContact O-NH2 2.84Å; P324-R404 VanDerWaalsContact CD-NH2 3.34Å; D398-R404 IonicContact OD1-CZ 2.68Å; D398-R404 IonicContact OD1-NE 2.92Å; D398-R404 PolarHBondContact OD1-NE 2.94Å; D398-R404 IonicContact OD1-NH2 3.88Å; I402-R404 PolarHBondContact O-N 3.27Å; R404-M418 WeakPolarHBondContact O-CA 3.47Å; R404-E419 HydrophobicContact CB-CG 4.34Å; R404-E419 VanDerWaalsContact N-CD 3.31Å; R404-E419 PolarHBondContact N-OE1 2.95Å; R404-E419 IonicContact NH1-OE2 3.83Å; R404-E419 PolarHBondContact NH1-OE2 3.47Å; R404-E419 VanDerWaalsContact NH1-OE2 3.1Å; R404-E419 PolarHBondContact O-N 3.24Å
405M89.1Confident89.2Confident8 Ų834 Ų344%0.03917%0.174CC..EExtended strand (participates in β ladder)trans-85.4111.3168.9-178.2172.5-179.800109.9F334 A391 M394 H395 G407 L408 L416F334-M405 HydrophobicContact CE2-CE 4.24Å; A391-M405 HydrophobicContact CB-CE 3.91Å; A391-M405 HydrophobicContact CB-SD 4.22Å; M394-M405 HydrophobicContact CB-CB 4.39Å; M394-M405 HydrophobicContact CB-SD 3.91Å; M394-M405 HydrophobicContact CE-SD 4.16Å; H395-M405 PolarHBondContact ND1-O 3.44Å; M405-G407 WeakPolarHBondContact CE-O 3.47Å; M405-L408 HydrophobicContact CE-CB 3.92Å; M405-L408 HydrophobicContact CE-CD1 4.14Å; M405-L416 HydrophobicContact CE-CB 4.47Å; M405-L416 HydrophobicContact CE-CD2 3.56Å; M405-L416 HydrophobicContact SD-CD2 4.39Å
406L89.1Confident89.3Confident35 Ų3533.6 Ų33.618%0.18317%0.172CC..EExtended strand (participates in β ladder)trans-74.3-32.4179-58.6-179000111.9L361 V370 H395 V417L361-L406 HydrophobicContact CD2-CD1 4.29Å; V370-L406 HydrophobicContact CG1-CD1 3.48Å; V370-L406 VanDerWaalsContact CG1-CD1 3.48Å; H395-L406 PolarHBondContact CE1-O 2.81Å; H395-L406 VanDerWaalsContact CE1-O 3.23Å; L406-V417 HydrophobicContact CB-CG1 4.35Å; L406-V417 HydrophobicContact CD1-CG1 4.43Å; L406-V417 PolarHBondContact N-O 2.83Å
407G89.9Confident89.5Confident0 Ų027.1 Ų27.10%014%0.142CC..EExtended strand (participates in β ladder)trans166.6-174.3175.500000112.5F334 M405 V417F334-G407 CarbonylContact O-C 3.42Å; F334-G407 WeakPolarHBondContact O-CA 3.41Å; M405-G407 WeakPolarHBondContact CE-O 3.47Å; G407-V417 PolarHBondContact N-O 3.39Å; G407-V417 PolarHBondContact O-N 3.5Å
408L90.8Very high89.7Confident2 Ų227.4 Ų27.41%0.0114%0.143CC..EExtended strand (participates in β ladder)trans-117.8131.4-175.4-175.4113.2000109.1F334 N335 I336 M388 A391 M405 L414 L416F334-L408 HydrophobicContact CE1-CB 4.18Å; F334-L408 HydrophobicContact CE1-CD2 4.16Å; F334-L408 HydrophobicContact CE2-CB 4.24Å; F334-L408 HydrophobicContact CZ-CB 3.98Å; F334-L408 HydrophobicContact CZ-CD1 4.33Å; F334-L408 HydrophobicContact CZ-CD2 4.43Å; F334-L408 HydrophobicContact CZ-CG 4.5Å; F334-L408 PolarHBondContact O-N 2.68Å; N335-L408 WeakPolarHBondContact CA-O 3.45Å; I336-L408 PolarHBondContact N-O 3.4Å; M388-L408 HydrophobicContact CE-CD2 3.73Å; M388-L408 HydrophobicContact SD-CD1 3.95Å; M388-L408 HydrophobicContact SD-CD2 3.65Å; M388-L408 HydrophobicContact SD-CG 4.47Å; A391-L408 HydrophobicContact CB-CD1 3.94Å; M405-L408 HydrophobicContact CE-CB 3.92Å; M405-L408 HydrophobicContact CE-CD1 4.14Å; L408-L414 HydrophobicContact CD1-CD1 3.94Å; L408-L414 HydrophobicContact CD1-CD2 4.29Å; L408-L414 HydrophobicContact CD1-CG 4.21Å; L408-L414 HydrophobicContact CD2-CD1 3.85Å; L408-L414 HydrophobicContact CG-CD1 3.9Å; L408-L416 HydrophobicContact CD1-CD2 3.84Å
409C91.1Very high89.8Confident1 Ų126 Ų261%0.00714%0.135CC..EExtended strand (participates in β ladder)trans-114.4120.4171-175.90000109.5I336 L341 M415 V417I336-C409 HydrophobicContact CB-CB 4.36Å; I336-C409 PolarHBondContact O-SG 3.42Å; I336-C409 VanDerWaalsContact O-SG 3.33Å; L341-C409 HydrophobicContact CD1-CB 3.51Å; C409-M415 HydrophobicContact CB-CB 4.18Å; C409-M415 HydrophobicContact CB-CE 4.26Å; C409-M415 PolarHBondContact N-O 3.48Å; C409-M415 PolarHBondContact O-N 3.04Å; C409-V417 HydrophobicContact CB-CG2 4.43Å
410N88.4Confident89.8Confident127 Ų12727.9 Ų27.968%0.67914%0.144SC*.EExtended strand (participates in β ladder)trans-105.5100.8176.6-17326.7000109.2L414N410-L414 HydrophobicContact CB-CD1 3.99Å
411A87.1Confident89.8Confident39 Ų3928 Ų2832%0.32215%0.146SC..SBendtrans-132.9-130.9-18000000110R338 H413 M415R338-A411 HydrophobicContact CB-CB 4.03Å; R338-A411 HydrophobicContact CG-CB 3.95Å; A411-H413 PolarHBondContact N-O 3.36Å; A411-H413 PolarHBondContact O-N 3.29Å; A411-M415 HydrophobicContact CB-CE 3.73Å
412E84.6Confident89.5Confident150 Ų15031.8 Ų31.870%0.70118%0.177SC*.SBendtrans-51.7-39.8173-61.2151.1-143.200111.9
413H85.3Confident89.3Confident77 Ų7733.8 Ų33.836%0.35619%0.194SC..SBendtrans-133159.2173.2-62.6-74.7000109.5V374 S377 A411 M415V374-H413 HydrophobicContact CG1-CB 3.57Å; S377-H413 PolarHBondContact OG-CE1 3.48Å; S377-H413 PolarHBondContact OG-ND1 3.05Å; A411-H413 PolarHBondContact N-O 3.36Å; A411-H413 PolarHBondContact O-N 3.29Å; H413-M415 WeakPolarHBondContact O-CE 3.39Å
414L85.6Confident89.3Confident27 Ų2734.5 Ų34.514%0.14120%0.202CC..EExtended strand (participates in β ladder)trans-75.3127.7169.8-16767.3000109.4L375 M387 L408 N410L375-L414 WeakPolarHBondContact CB-O 3.38Å; L375-L414 HydrophobicContact CD1-CB 4.37Å; L375-L414 HydrophobicContact CD1-CD2 4Å; L375-L414 HydrophobicContact CD1-CG 4.25Å; L375-L414 PolarHBondContact N-O 2.79Å; M387-L414 HydrophobicContact CE-CD2 3.15Å; M387-L414 HydrophobicContact SD-CD2 4.05Å; L408-L414 HydrophobicContact CD1-CD1 3.94Å; L408-L414 HydrophobicContact CD1-CD2 4.29Å; L408-L414 HydrophobicContact CD1-CG 4.21Å; L408-L414 HydrophobicContact CD2-CD1 3.85Å; L408-L414 HydrophobicContact CG-CD1 3.9Å; N410-L414 HydrophobicContact CB-CD1 3.99Å
415M89.8Confident89.6Confident6 Ų635.3 Ų35.33%0.0321%0.209CC..EExtended strand (participates in β ladder)trans-125.4129.3-174.5-68.9173.2-83.900111M343 I372 K373 V374 C409 A411 H413M343-M415 HydrophobicContact CE-SD 4.02Å; M343-M415 HydrophobicContact SD-SD 3.68Å; M343-M415 VanDerWaalsContact SD-SD 3.68Å; I372-M415 HydrophobicContact CG2-CB 3.95Å; I372-M415 HydrophobicContact CG2-CG 4.08Å; I372-M415 HydrophobicContact CG2-SD 4.03Å; K373-M415 WeakPolarHBondContact O-CA 3.45Å; V374-M415 HydrophobicContact CB-CG 4.49Å; V374-M415 HydrophobicContact CG1-CG 4.4Å; V374-M415 HydrophobicContact CG2-CG 4.15Å; C409-M415 HydrophobicContact CB-CB 4.18Å; C409-M415 HydrophobicContact CB-CE 4.26Å; C409-M415 PolarHBondContact N-O 3.48Å; C409-M415 PolarHBondContact O-N 3.04Å; A411-M415 HydrophobicContact CB-CE 3.73Å; H413-M415 WeakPolarHBondContact O-CE 3.39Å
416L89.4Confident90Very high14 Ų1435 Ų357%0.07321%0.208CC..EExtended strand (participates in β ladder)trans-93.6119.4169.3-50.7177.7000108.4I372 K373 L375 A391 M405 L408I372-L416 WeakPolarHBondContact CA-O 3.46Å; K373-L416 HydrophobicContact CB-CB 4.26Å; K373-L416 HydrophobicContact CD-CD1 4.41Å; K373-L416 PolarHBondContact N-O 2.9Å; K373-L416 PolarHBondContact O-N 3.14Å; L375-L416 HydrophobicContact CD1-CD1 4.31Å; L375-L416 HydrophobicContact CD1-CD2 4.36Å; L375-L416 HydrophobicContact CD1-CG 4.08Å; L375-L416 HydrophobicContact CD2-CD1 4.43Å; A391-L416 HydrophobicContact CB-CD2 4.44Å; M405-L416 HydrophobicContact CE-CB 4.47Å; M405-L416 HydrophobicContact CE-CD2 3.56Å; M405-L416 HydrophobicContact SD-CD2 4.39Å; L408-L416 HydrophobicContact CD1-CD2 3.84Å
417V91.7Very high90.3Very high0 Ų035.1 Ų35.10%021%0.208CC..EExtended strand (participates in β ladder)trans-96.5119.8177.7-1720000108.2I336 L341 V370 L406 G407 C409I336-V417 HydrophobicContact CD1-CB 3.68Å; I336-V417 HydrophobicContact CD1-CG1 4.01Å; I336-V417 HydrophobicContact CD1-CG2 3.73Å; L341-V417 HydrophobicContact CD1-CG2 3.68Å; L341-V417 HydrophobicContact CD2-CG1 4Å; L341-V417 HydrophobicContact CD2-CG2 3.95Å; L341-V417 HydrophobicContact CG-CG2 4.45Å; V370-V417 HydrophobicContact CB-CG1 3.89Å; V370-V417 HydrophobicContact CG1-CG1 3.94Å; V370-V417 HydrophobicContact CG2-CG1 4.04Å; L406-V417 HydrophobicContact CB-CG1 4.35Å; L406-V417 HydrophobicContact CD1-CG1 4.43Å; L406-V417 PolarHBondContact N-O 2.83Å; G407-V417 PolarHBondContact N-O 3.39Å; G407-V417 PolarHBondContact O-N 3.5Å; C409-V417 HydrophobicContact CB-CG2 4.43Å
418M91.7Very high90.5Very high17 Ų1741.7 Ų41.78%0.08424%0.237CC..EExtended strand (participates in β ladder)trans-125.7158.5-172.4-59.1173.1-64.400110.6V370 A371 K373 V403 R404V370-M418 WeakPolarHBondContact CA-O 3.06Å; V370-M418 WeakPolarHBondContact CB-O 3.39Å; A371-M418 HydrophobicContact CB-CB 4.47Å; A371-M418 HydrophobicContact CB-CE 4.27Å; A371-M418 PolarHBondContact N-O 2.87Å; A371-M418 PolarHBondContact O-N 2.88Å; K373-M418 HydrophobicContact CB-CE 3.72Å; V403-M418 HydrophobicContact CG1-CB 3.9Å; R404-M418 WeakPolarHBondContact O-CA 3.47Å
419E90.6Very high90.7Very high16 Ų1642.6 Ų42.68%0.07524%0.241CC..EExtended strand (participates in β ladder)trans-63.2148.4170.768.2-175.7176.900111.8V403 R404 K480V403-E419 VanDerWaalsContact CA-OE1 3.23Å; V403-E419 WeakPolarHBondContact CA-OE1 3.4Å; V403-E419 HydrophobicContact CG1-CG 3.92Å; R404-E419 HydrophobicContact CB-CG 4.34Å; R404-E419 VanDerWaalsContact N-CD 3.31Å; R404-E419 PolarHBondContact N-OE1 2.95Å; R404-E419 IonicContact NH1-OE2 3.83Å; R404-E419 PolarHBondContact NH1-OE2 3.47Å; R404-E419 VanDerWaalsContact NH1-OE2 3.1Å; R404-E419 PolarHBondContact O-N 3.24Å; E419-K480 VanDerWaalsContact CD-NZ 3.32Å; E419-K480 VanDerWaalsContact OE1-CD 3.27Å; E419-K480 WeakPolarHBondContact OE1-CD 3.49Å; E419-K480 WeakPolarHBondContact OE1-CE 3.46Å; E419-K480 IonicContact OE1-NZ 3.65Å; E419-K480 PolarHBondContact OE1-NZ 3.38Å; E419-K480 IonicContact OE2-NZ 3.7Å; E419-K480 PolarHBondContact OE2-NZ 3.07Å
420M89.8Confident90.9Very high43 Ų4342.6 Ų42.621%0.21224%0.241CC..  trans-84.9126.6-177.6-174.166.9-175.200111.6L348 D369 A371 A422L348-M420 HydrophobicContact CD1-CE 3.73Å; L348-M420 HydrophobicContact CD1-SD 3.92Å; L348-M420 HydrophobicContact CD2-CE 4.24Å; D369-M420 HydrophobicContact CB-CB 4.26Å; D369-M420 WeakPolarHBondContact O-CB 3.49Å; A371-M420 HydrophobicContact CB-SD 4.18Å; M420-A422 HydrophobicContact CE-CB 4.36Å; M420-A422 HydrophobicContact CG-CB 4.45Å
421A91.6Very high91.1Very high9 Ų940 Ų407%0.07423%0.232CC..  trans-111.390.9168.700000109.4A423 G424 L472 L473 V474A421-A423 PolarHBondContact O-N 3.05Å; A421-G424 PolarHBondContact O-N 3.4Å; A421-L472 HydrophobicContact CB-CB 3.54Å; A421-L472 HydrophobicContact CB-CD1 4.14Å; A421-L473 CarbonylContact C-O 3.58Å; A421-L473 VanDerWaalsContact C-O 3.28Å; A421-V474 HydrophobicContact CB-CG2 4.38Å
422A88.3Confident91.3Very high79 Ų7943.6 Ų43.665%0.65325%0.251SS*.THydrogen-bonded Turntrans-73-21.9-162.900000115.2M420 G424M420-A422 HydrophobicContact CE-CB 4.36Å; M420-A422 HydrophobicContact CG-CB 4.45Å; A422-G424 PolarHBondContact O-N 3.2Å
423A90.3Very high91.4Very high44 Ų4439.9 Ų39.936%0.36423%0.232SC..THydrogen-bonded Turntrans-81.7-1.1-179.300000113.4A421 L473A421-A423 PolarHBondContact O-N 3.05Å; A423-L473 WeakPolarHBondContact CA-O 3.48Å; A423-L473 HydrophobicContact CB-CB 3.69Å; A423-L473 WeakPolarHBondContact CB-O 3.41Å; A423-L473 PolarHBondContact N-O 3.45Å
424G92.4Very high91.4Very high20 Ų2042.6 Ų42.621%0.20624%0.243CC..EExtended strand (participates in β ladder)trans74.2-166.5171.800000113.6A421 A422 L472 L473A421-G424 PolarHBondContact O-N 3.4Å; A422-G424 PolarHBondContact O-N 3.2Å; G424-L472 CarbonylContact O-C 3.58Å; G424-L472 WeakPolarHBondContact O-CA 3.45Å; G424-L473 PolarHBondContact O-N 3.49Å
425P95.3Very high91.4Very high28 Ų2850.8 Ų50.818%0.18228%0.281CS..EExtended strand (participates in β ladder)trans-77.9143-169.931.4-35.9000113.3N427 K428 F429 R469 V471 L472P425-N427 VanDerWaalsContact C-N 3.32Å; P425-N427 WeakPolarHBondContact CB-OD1 3.45Å; P425-N427 PolarHBondContact O-N 3.46Å; P425-K428 HydrophobicContact CG-CB 4.13Å; P425-K428 HydrophobicContact CG-CD 3.81Å; P425-K428 HydrophobicContact CG-CG 3.92Å; P425-K428 PolarHBondContact O-N 3.16Å; P425-F429 PolarHBondContact O-N 2.93Å; P425-F429 VanDerWaalsContact O-N 3.08Å; P425-R469 WeakPolarHBondContact CB-O 3.44Å; P425-V471 CarbonylContact C-O 3.55Å; P425-V471 WeakPolarHBondContact CA-O 3.49Å; P425-L472 HydrophobicContact CB-CD2 3.96Å
426L96.8Very high91.3Very high2 Ų255.2 Ų55.21%0.0131%0.308CS..Hα-helixtrans-54.2-44-175.4177.466000112.4K428 F429 L430 L445 M446 A468 V471 L473 A536L426-K428 PolarHBondContact O-N 3.08Å; L426-F429 PolarHBondContact O-N 3.24Å; L426-L430 HydrophobicContact CD1-CD1 3.71Å; L426-L430 HydrophobicContact CD1-CD2 4.34Å; L426-L430 HydrophobicContact CD1-CG 3.82Å; L426-L430 HydrophobicContact CD2-CD1 4.4Å; L426-L430 HydrophobicContact CG-CD1 3.74Å; L426-L430 HydrophobicContact CG-CG 4.23Å; L426-L430 WeakPolarHBondContact O-CB 3.4Å; L426-L430 VanDerWaalsContact O-CG 3.3Å; L426-L430 WeakPolarHBondContact O-CG 3.34Å; L426-L430 PolarHBondContact O-N 3Å; L426-L445 HydrophobicContact CD1-CD1 3.87Å; L426-M446 HydrophobicContact CD2-SD 4.08Å; L426-A468 WeakPolarHBondContact CB-O 3.5Å; L426-A468 HydrophobicContact CD2-CB 4.45Å; L426-A468 PolarHBondContact N-O 2.68Å; L426-V471 HydrophobicContact CB-CB 3.93Å; L426-V471 HydrophobicContact CB-CG1 4.03Å; L426-V471 WeakPolarHBondContact CB-O 3.49Å; L426-V471 HydrophobicContact CD2-CB 4.14Å; L426-V471 HydrophobicContact CD2-CG1 4Å; L426-V471 PolarHBondContact N-O 3.01Å; L426-L473 HydrophobicContact CD1-CD1 4.27Å; L426-L473 HydrophobicContact CD1-CD2 4.2Å; L426-A536 HydrophobicContact CD2-CB 4.29Å
427N95.1Very high91.3Very high37 Ų3755 Ų5520%0.19831%0.307CS..Hα-helixtrans-60.2-43.6-179.164-18.5000113.1P425 S431 A468P425-N427 VanDerWaalsContact C-N 3.32Å; P425-N427 WeakPolarHBondContact CB-OD1 3.45Å; P425-N427 PolarHBondContact O-N 3.46Å; N427-S431 WeakPolarHBondContact O-CB 3.33Å; N427-S431 PolarHBondContact O-N 3.31Å; N427-S431 VanDerWaalsContact O-N 3.1Å; N427-S431 PolarHBondContact O-OG 3.06Å; N427-A468 HydrophobicContact CB-CB 3.84Å; N427-A468 PolarHBondContact N-O 3.05Å
428K94.9Very high91.4Very high138 Ų13857.1 Ų57.160%0.632%0.322SS*.Hα-helixtrans-71-38178-66.5-172.5-176176.80111.4P425 L426 S431 T432P425-K428 HydrophobicContact CG-CB 4.13Å; P425-K428 HydrophobicContact CG-CD 3.81Å; P425-K428 HydrophobicContact CG-CG 3.92Å; P425-K428 PolarHBondContact O-N 3.16Å; L426-K428 PolarHBondContact O-N 3.08Å; K428-S431 WeakPolarHBondContact CA-OG 3.48Å; K428-S431 PolarHBondContact O-OG 2.79Å; K428-T432 WeakPolarHBondContact O-CB 3.26Å; K428-T432 PolarHBondContact O-N 3.12Å; K428-T432 PolarHBondContact O-OG1 3.03Å
429F95.3Very high91.4Very high20 Ų2058.4 Ų58.49%0.08833%0.331CS..Hα-helixtrans-60-52.9176.2174.6-95.6000111P425 L426 S431 T432 K433 V437 L473 Q476P425-F429 PolarHBondContact O-N 2.93Å; P425-F429 VanDerWaalsContact O-N 3.08Å; L426-F429 PolarHBondContact O-N 3.24Å; F429-S431 PolarHBondContact O-N 2.67Å; F429-T432 PolarHBondContact O-N 3.47Å; F429-K433 HydrophobicContact CD2-CD 4.17Å; F429-K433 HydrophobicContact CE2-CD 3.59Å; F429-K433 HydrophobicContact CZ-CD 3.84Å; F429-K433 WeakPolarHBondContact O-CB 3.49Å; F429-K433 PolarHBondContact O-N 3.02Å; F429-V437 HydrophobicContact CE1-CG2 3.64Å; F429-V437 HydrophobicContact CZ-CG2 4.08Å; F429-L473 HydrophobicContact CB-CD1 3.67Å; F429-L473 HydrophobicContact CD1-CD1 3.38Å; F429-L473 HydrophobicContact CD2-CD1 3.74Å; F429-L473 HydrophobicContact CE1-CD1 3.86Å; F429-L473 HydrophobicContact CE2-CD1 4.17Å; F429-L473 HydrophobicContact CG-CD1 3.31Å; F429-L473 HydrophobicContact CZ-CD1 4.24Å; F429-Q476 HydrophobicContact CE2-CG 3.95Å; F429-Q476 HydrophobicContact CZ-CB 3.95Å; F429-Q476 HydrophobicContact CZ-CG 3.75Å
430L94.9Very high91.4Very high1 Ų160 Ų601%0.00534%0.338CS..Hα-helixtrans-64.3-38.9-179.1-67.4174000112.7L426 T432 K433 K434 V437 I442 A536 Y539L426-L430 HydrophobicContact CD1-CD1 3.71Å; L426-L430 HydrophobicContact CD1-CD2 4.34Å; L426-L430 HydrophobicContact CD1-CG 3.82Å; L426-L430 HydrophobicContact CD2-CD1 4.4Å; L426-L430 HydrophobicContact CG-CD1 3.74Å; L426-L430 HydrophobicContact CG-CG 4.23Å; L426-L430 WeakPolarHBondContact O-CB 3.4Å; L426-L430 VanDerWaalsContact O-CG 3.3Å; L426-L430 WeakPolarHBondContact O-CG 3.34Å; L426-L430 PolarHBondContact O-N 3Å; L430-T432 PolarHBondContact O-N 3.38Å; L430-K433 PolarHBondContact O-N 3.25Å; L430-K434 PolarHBondContact O-N 3.39Å; L430-V437 HydrophobicContact CD2-CB 4.41Å; L430-V437 HydrophobicContact CD2-CG1 3.78Å; L430-I442 HydrophobicContact CD2-CD1 4.36Å; L430-I442 HydrophobicContact CD2-CG1 4Å; L430-A536 HydrophobicContact CD1-CB 4.02Å; L430-A536 WeakPolarHBondContact CD1-O 3.17Å; L430-Y539 HydrophobicContact CB-CD1 4.5Å
431S92.7Very high91.5Very high72 Ų7259.6 Ų59.650%0.50334%0.337SS..Hα-helixtrans-65.2-29.6177.865.90000112.8N427 K428 F429 Y539N427-S431 WeakPolarHBondContact O-CB 3.33Å; N427-S431 PolarHBondContact O-N 3.31Å; N427-S431 VanDerWaalsContact O-N 3.1Å; N427-S431 PolarHBondContact O-OG 3.06Å; K428-S431 WeakPolarHBondContact CA-OG 3.48Å; K428-S431 PolarHBondContact O-OG 2.79Å; F429-S431 PolarHBondContact O-N 2.67Å; S431-Y539 WeakPolarHBondContact CA-O 3.37Å; S431-Y539 PolarHBondContact N-O 3.36Å
432T91.4Very high91.7Very high116 Ų11659.2 Ų59.271%0.71233%0.334SS*.Hα-helixtrans-86.3-29.3-178.4-50.90000112K428 F429 L430K428-T432 WeakPolarHBondContact O-CB 3.26Å; K428-T432 PolarHBondContact O-N 3.12Å; K428-T432 PolarHBondContact O-OG1 3.03Å; F429-T432 PolarHBondContact O-N 3.47Å; L430-T432 PolarHBondContact O-N 3.38Å
433K87.4Confident92Very high72 Ų7255.5 Ų55.531%0.31330%0.303SS..  trans-116.127.7-171.6-68.2-163.5178-175.40114.3F429 L430 E435 T436 V437F429-K433 HydrophobicContact CD2-CD 4.17Å; F429-K433 HydrophobicContact CE2-CD 3.59Å; F429-K433 HydrophobicContact CZ-CD 3.84Å; F429-K433 WeakPolarHBondContact O-CB 3.49Å; F429-K433 PolarHBondContact O-N 3.02Å; L430-K433 PolarHBondContact O-N 3.25Å; K433-E435 PolarHBondContact O-N 2.98Å; K433-E435 VanDerWaalsContact O-N 3.08Å; K433-T436 PolarHBondContact O-N 3.24Å; K433-T436 PolarHBondContact O-OG1 2.92Å; K433-V437 HydrophobicContact CB-CG2 3.79Å; K433-V437 WeakPolarHBondContact O-CG2 3.43Å; K433-V437 PolarHBondContact O-N 2.77Å
434K84.9Confident92.2Very high134 Ų13453.5 Ų53.558%0.58329%0.286SS*.THydrogen-bonded Turntrans-54.1-31.5-176.2-179.4177177.9-167.20114.3L430 Y539L430-K434 PolarHBondContact O-N 3.39Å; K434-Y539 HydrophobicContact CB-CD1 3.92Å; K434-Y539 HydrophobicContact CB-CE1 4.5Å; K434-Y539 HydrophobicContact CB-CG 4.29Å; K434-Y539 HydrophobicContact CD-CG 4.24Å; K434-Y539 HydrophobicContact CG-CD1 3.7Å; K434-Y539 HydrophobicContact CG-CD2 4.24Å; K434-Y539 HydrophobicContact CG-CE1 4.11Å; K434-Y539 HydrophobicContact CG-CG 3.76Å
435E84.8Confident92.4Very high199 Ų19952.6 Ų52.693%0.9328%0.276SS*.THydrogen-bonded Turntrans-81.1-22.8-178.5-63.9-179.6178.400113.5K433K433-E435 PolarHBondContact O-N 2.98Å; K433-E435 VanDerWaalsContact O-N 3.08Å
436T87.9Confident92.5Very high99 Ų9951.3 Ų51.361%0.60727%0.268SS*.THydrogen-bonded Turntrans-104.4-26.1-174.960.50000113.3K433K433-T436 PolarHBondContact O-N 3.24Å; K433-T436 PolarHBondContact O-OG1 2.92Å
437V90.6Very high92.5Very high8 Ų851.2 Ų51.25%0.04827%0.267CS..  trans-85.5120.8-178.2178.80000109.2F429 L430 K433 D441 I442 Y539F429-V437 HydrophobicContact CE1-CG2 3.64Å; F429-V437 HydrophobicContact CZ-CG2 4.08Å; L430-V437 HydrophobicContact CD2-CB 4.41Å; L430-V437 HydrophobicContact CD2-CG1 3.78Å; K433-V437 HydrophobicContact CB-CG2 3.79Å; K433-V437 WeakPolarHBondContact O-CG2 3.43Å; K433-V437 PolarHBondContact O-N 2.77Å; V437-D441 HydrophobicContact CG1-CB 3.82Å; V437-I442 HydrophobicContact CG1-CD1 4.49Å; V437-I442 HydrophobicContact CG1-CG1 3.91Å; V437-Y539 HydrophobicContact CB-CE1 4.4Å; V437-Y539 PolarHBondContact O-OH 3.47Å
438S92.6Very high92.6Very high46 Ų4649.4 Ų49.432%0.32226%0.258SS..  trans-82.6166.7178.473.40000112.1E440 D441 I442S438-E440 PolarHBondContact O-N 2.79Å; S438-E440 PolarHBondContact OG-N 3.14Å; S438-D441 WeakPolarHBondContact CB-OD2 3.3Å; S438-D441 PolarHBondContact N-OD2 3.36Å; S438-D441 PolarHBondContact O-N 3.17Å; S438-D441 PolarHBondContact OG-N 3.47Å; S438-D441 PolarHBondContact OG-OD2 3.26Å; S438-I442 PolarHBondContact O-N 2.89Å
439V92Very high92.8Very high43 Ų4342.9 Ų42.926%0.26123%0.23SC..Hα-helixtrans-62.7-33.9171.8175.40000111.3I442 V443 F537 A567 P569V439-I442 PolarHBondContact O-N 2.99Å; V439-V443 HydrophobicContact CG1-CG2 4.45Å; V439-V443 VanDerWaalsContact O-CG2 3.29Å; V439-V443 WeakPolarHBondContact O-CG2 3.2Å; V439-V443 PolarHBondContact O-N 3.35Å; V439-F537 HydrophobicContact CG1-CE1 4.06Å; V439-A567 HydrophobicContact CG2-CB 4.32Å; V439-A567 WeakPolarHBondContact CG2-O 3.19Å; V439-P569 HydrophobicContact CG1-CG 3.59Å
440E90Very high92.9Very high49 Ų4942 Ų4223%0.22923%0.226CC..Hα-helixtrans-61.3-44175.8-171.8-179175.300110.7S438 I442 V443 N444 I604 S605S438-E440 PolarHBondContact O-N 2.79Å; S438-E440 PolarHBondContact OG-N 3.14Å; E440-I442 PolarHBondContact O-N 3.28Å; E440-V443 PolarHBondContact O-N 3.46Å; E440-N444 PolarHBondContact O-N 3.12Å; E440-I604 HydrophobicContact CB-CD1 4.31Å; E440-I604 HydrophobicContact CG-CD1 4.21Å; E440-I604 HydrophobicContact CG-CG1 4.36Å; E440-S605 WeakPolarHBondContact OE1-CA 3.16Å
441D92.9Very high92.9Very high35 Ų3542.1 Ų42.119%0.18723%0.226CC..Hα-helixtrans-62.2-43.5176.5-58.6-50.8000111.7V437 S438 V443 N444 L445 Q477V437-D441 HydrophobicContact CG1-CB 3.82Å; S438-D441 WeakPolarHBondContact CB-OD2 3.3Å; S438-D441 PolarHBondContact N-OD2 3.36Å; S438-D441 PolarHBondContact O-N 3.17Å; S438-D441 PolarHBondContact OG-N 3.47Å; S438-D441 PolarHBondContact OG-OD2 3.26Å; D441-V443 VanDerWaalsContact C-N 3.32Å; D441-V443 PolarHBondContact O-N 3.38Å; D441-N444 PolarHBondContact O-N 3Å; D441-L445 WeakPolarHBondContact O-CG 3.43Å; D441-L445 PolarHBondContact O-N 3.29Å; D441-Q477 PolarHBondContact OD1-NE2 2.82Å
442I96.2Very high93.1Very high2 Ų238.7 Ų38.71%0.0120%0.202CC..Hα-helixtrans-62.5-42.1177.5-63.7171000110.7L430 V437 S438 V439 E440 L445 M446 A536 F537 Y539L430-I442 HydrophobicContact CD2-CD1 4.36Å; L430-I442 HydrophobicContact CD2-CG1 4Å; V437-I442 HydrophobicContact CG1-CD1 4.49Å; V437-I442 HydrophobicContact CG1-CG1 3.91Å; S438-I442 PolarHBondContact O-N 2.89Å; V439-I442 PolarHBondContact O-N 2.99Å; E440-I442 PolarHBondContact O-N 3.28Å; I442-L445 PolarHBondContact O-N 2.81Å; I442-M446 HydrophobicContact CG2-CG 4.33Å; I442-M446 WeakPolarHBondContact O-CB 3.35Å; I442-M446 WeakPolarHBondContact O-CG 3.36Å; I442-M446 PolarHBondContact O-N 3.1Å; I442-A536 HydrophobicContact CG2-CB 3.83Å; I442-F537 HydrophobicContact CB-CE1 4.34Å; I442-F537 HydrophobicContact CG2-CD1 3.93Å; I442-F537 HydrophobicContact CG2-CD2 4.25Å; I442-F537 HydrophobicContact CG2-CE1 3.84Å; I442-F537 HydrophobicContact CG2-CE2 4.19Å; I442-F537 HydrophobicContact CG2-CG 4.14Å; I442-F537 HydrophobicContact CG2-CZ 3.98Å; I442-Y539 HydrophobicContact CD1-CD1 4.3Å; I442-Y539 HydrophobicContact CD1-CE1 3.77Å; I442-Y539 HydrophobicContact CD1-CE2 4.14Å
443V94.1Very high93.4Very high0 Ų033.2 Ų33.20%017%0.169CC..Hα-helixtrans-63.8-43.8177.1170.20000110.8V439 E440 D441 M446 H447 F537 M572 M597 Y600 H601 I604V439-V443 HydrophobicContact CG1-CG2 4.45Å; V439-V443 VanDerWaalsContact O-CG2 3.29Å; V439-V443 WeakPolarHBondContact O-CG2 3.2Å; V439-V443 PolarHBondContact O-N 3.35Å; E440-V443 PolarHBondContact O-N 3.46Å; D441-V443 VanDerWaalsContact C-N 3.32Å; D441-V443 PolarHBondContact O-N 3.38Å; V443-M446 PolarHBondContact O-N 3.27Å; V443-H447 WeakPolarHBondContact O-CB 3.44Å; V443-H447 PolarHBondContact O-N 3.07Å; V443-F537 HydrophobicContact CG2-CE1 3.97Å; V443-F537 HydrophobicContact CG2-CZ 3.74Å; V443-M572 HydrophobicContact CG2-CG 4.34Å; V443-M572 HydrophobicContact CG2-SD 4.32Å; V443-M597 HydrophobicContact CG1-CE 4.44Å; V443-Y600 HydrophobicContact CG1-CD1 4.06Å; V443-Y600 HydrophobicContact CG2-CD1 4.16Å; V443-Y600 HydrophobicContact CG2-CE1 3.97Å; V443-H601 HydrophobicContact CG1-CB 3.76Å; V443-I604 HydrophobicContact CB-CD1 3.76Å; V443-I604 HydrophobicContact CG1-CD1 3.74Å; V443-I604 HydrophobicContact CG2-CD1 3.83Å
444N93.3Very high93.8Very high2 Ų232.4 Ų32.41%0.01117%0.165CC..Hα-helixtrans-58.8-50.4175.6176.432.7000111.3E440 D441 M446 H447 Q448 Q477E440-N444 PolarHBondContact O-N 3.12Å; D441-N444 PolarHBondContact O-N 3Å; N444-M446 PolarHBondContact O-N 3.35Å; N444-H447 WeakPolarHBondContact O-CB 3.5Å; N444-H447 PolarHBondContact O-N 3.01Å; N444-Q448 PolarHBondContact ND2-NE2 3.05Å; N444-Q448 WeakPolarHBondContact O-CG 3.35Å; N444-Q448 PolarHBondContact O-N 2.82Å; N444-Q448 PolarHBondContact OD1-NE2 2.9Å; N444-Q477 PolarHBondContact ND2-OE1 3.16Å
445L97.1Very high94.3Very high1 Ų127.1 Ų27.11%0.00514%0.142CC..Hα-helixtrans-62.1-41.8179.1-65.2172.6000112.2L426 D441 I442 Q448 V449 L473 A479L426-L445 HydrophobicContact CD1-CD1 3.87Å; D441-L445 WeakPolarHBondContact O-CG 3.43Å; D441-L445 PolarHBondContact O-N 3.29Å; I442-L445 PolarHBondContact O-N 2.81Å; L445-Q448 WeakPolarHBondContact O-CB 3.23Å; L445-Q448 PolarHBondContact O-N 3.23Å; L445-V449 WeakPolarHBondContact O-CG2 3.42Å; L445-V449 PolarHBondContact O-N 3.46Å; L445-V449 VanDerWaalsContact O-N 3.08Å; L445-L473 HydrophobicContact CD1-CD2 4.25Å; L445-L473 HydrophobicContact CD2-CD2 3.89Å; L445-A479 HydrophobicContact CB-CB 4.39Å; L445-A479 HydrophobicContact CD2-CB 3.89Å
446M98.1Very high94.7Very high1 Ų117.6 Ų17.61%0.00510%0.097CC..Hα-helixtrans-72.1-28.4177.9-69.6-50.3-53.100112.9L426 I442 V443 N444 V449 S450 F529 T532 M533 A536 M597L426-M446 HydrophobicContact CD2-SD 4.08Å; I442-M446 HydrophobicContact CG2-CG 4.33Å; I442-M446 WeakPolarHBondContact O-CB 3.35Å; I442-M446 WeakPolarHBondContact O-CG 3.36Å; I442-M446 PolarHBondContact O-N 3.1Å; V443-M446 PolarHBondContact O-N 3.27Å; N444-M446 PolarHBondContact O-N 3.35Å; M446-V449 HydrophobicContact CE-CB 4.23Å; M446-V449 HydrophobicContact CE-CG1 4.23Å; M446-V449 PolarHBondContact O-N 3.38Å; M446-S450 PolarHBondContact O-N 2.73Å; M446-F529 HydrophobicContact CE-CD2 4.01Å; M446-F529 HydrophobicContact CE-CE2 3.46Å; M446-F529 VanDerWaalsContact CE-CE2 3.46Å; M446-F529 HydrophobicContact CE-CZ 3.91Å; M446-T532 HydrophobicContact CE-CG2 3.95Å; M446-T532 HydrophobicContact SD-CG2 4.42Å; M446-M533 HydrophobicContact CE-CB 4.46Å; M446-M533 HydrophobicContact CE-CG 3.74Å; M446-A536 HydrophobicContact CG-CB 4Å; M446-A536 HydrophobicContact SD-CB 3.81Å; M446-M597 HydrophobicContact CB-CE 3.54Å
447H96.8Very high95.1Very high0 Ų014.4 Ų14.40%08%0.075CC..Hα-helixtrans-63.7-46.4170.9174.2-129.9000110.2I144 V443 N444 V449 S450 M451 E594 M597 R598 H601I144-H447 PolarHBondContact O-CE1 2.86Å; V443-H447 WeakPolarHBondContact O-CB 3.44Å; V443-H447 PolarHBondContact O-N 3.07Å; N444-H447 WeakPolarHBondContact O-CB 3.5Å; N444-H447 PolarHBondContact O-N 3.01Å; H447-V449 VanDerWaalsContact C-N 3.34Å; H447-V449 PolarHBondContact O-N 2.75Å; H447-S450 WeakPolarHBondContact O-CA 3.35Å; H447-S450 WeakPolarHBondContact O-CB 3.37Å; H447-S450 PolarHBondContact O-N 3.42Å; H447-S450 PolarHBondContact O-OG 2.79Å; H447-M451 PolarHBondContact CE1-SD 2.86Å; H447-M451 WeakPolarHBondContact O-CG 3.26Å; H447-M451 PolarHBondContact O-N 2.93Å; H447-E594 IonicContact CD2-OE1 3.68Å; H447-E594 IonicContact NE2-OE1 3.91Å; H447-E594 PolarHBondContact NE2-OE1 2.85Å; H447-M597 HydrophobicContact CB-CB 4.4Å; H447-M597 HydrophobicContact CB-CE 4.35Å; H447-R598 WeakPolarHBondContact NE2-CB 3.46Å; H447-H601 HydrophobicContact CB-CB 4.47Å; H447-H601 AromaticContact ND1-ND1 3.47Å; H447-H601 PolarHBondContact ND1-ND1 2.9Å
448Q97.2Very high95.1Very high0 Ų018.8 Ų18.80%010%0.099CC..Hα-helixtrans-58.1-43.1174.3-66.5172.72400112.5F401 N444 L445 S450 M451 G452 Q477F401-Q448 WeakPolarHBondContact CB-O 3.39Å; F401-Q448 HydrophobicContact CD1-CB 3.55Å; F401-Q448 HydrophobicContact CD1-CG 3.8Å; F401-Q448 HydrophobicContact CE1-CB 3.85Å; F401-Q448 HydrophobicContact CE1-CG 3.53Å; F401-Q448 HydrophobicContact CG-CB 4.12Å; F401-Q448 HydrophobicContact CZ-CG 4.21Å; N444-Q448 PolarHBondContact ND2-NE2 3.05Å; N444-Q448 WeakPolarHBondContact O-CG 3.35Å; N444-Q448 PolarHBondContact O-N 2.82Å; N444-Q448 PolarHBondContact OD1-NE2 2.9Å; L445-Q448 WeakPolarHBondContact O-CB 3.23Å; L445-Q448 PolarHBondContact O-N 3.23Å; Q448-S450 VanDerWaalsContact C-N 3.33Å; Q448-S450 PolarHBondContact O-N 3.41Å; Q448-M451 WeakPolarHBondContact O-CB 3.38Å; Q448-M451 PolarHBondContact O-N 3.24Å; Q448-G452 PolarHBondContact O-N 3.36Å; Q448-Q477 PolarHBondContact NE2-O 3.23Å
449V98.4Very high95Very high1 Ų121.7 Ų21.71%0.00611%0.106CC..Hα-helixtrans-61.1-41.1173.4175.80000111.1L445 M446 H447 M451 G452 M453 L466 V471 A479 I481 F529L445-V449 WeakPolarHBondContact O-CG2 3.42Å; L445-V449 PolarHBondContact O-N 3.46Å; L445-V449 VanDerWaalsContact O-N 3.08Å; M446-V449 HydrophobicContact CE-CB 4.23Å; M446-V449 HydrophobicContact CE-CG1 4.23Å; M446-V449 PolarHBondContact O-N 3.38Å; H447-V449 VanDerWaalsContact C-N 3.34Å; H447-V449 PolarHBondContact O-N 2.75Å; V449-M451 VanDerWaalsContact C-N 3.32Å; V449-M451 PolarHBondContact O-N 3.1Å; V449-G452 PolarHBondContact O-N 3.01Å; V449-M453 HydrophobicContact CG1-CG 4.43Å; V449-M453 WeakPolarHBondContact O-CG 3.39Å; V449-M453 PolarHBondContact O-N 3.17Å; V449-L466 HydrophobicContact CG1-CD1 4.28Å; V449-V471 HydrophobicContact CG1-CG2 4.31Å; V449-V471 HydrophobicContact CG2-CB 4.41Å; V449-V471 HydrophobicContact CG2-CG1 3.61Å; V449-V471 HydrophobicContact CG2-CG2 3.85Å; V449-A479 HydrophobicContact CG2-CB 4.31Å; V449-I481 HydrophobicContact CG1-CD1 4.26Å; V449-I481 HydrophobicContact CG1-CG1 4.1Å; V449-I481 WeakPolarHBondContact O-CD1 3.4Å; V449-F529 HydrophobicContact CB-CE2 4.2Å; V449-F529 HydrophobicContact CG1-CD2 3.97Å; V449-F529 HydrophobicContact CG1-CE2 3.83Å
450S97.7Very high94.9Very high0 Ų023.3 Ų23.30%011%0.113CC..Hα-helixtrans-64.6-35.8176.573.70000112.7M446 H447 Q448 M453 K454M446-S450 PolarHBondContact O-N 2.73Å; H447-S450 WeakPolarHBondContact O-CA 3.35Å; H447-S450 WeakPolarHBondContact O-CB 3.37Å; H447-S450 PolarHBondContact O-N 3.42Å; H447-S450 PolarHBondContact O-OG 2.79Å; Q448-S450 VanDerWaalsContact C-N 3.33Å; Q448-S450 PolarHBondContact O-N 3.41Å; S450-M453 PolarHBondContact O-N 3.26Å; S450-K454 WeakPolarHBondContact O-CB 2.99Å; S450-K454 PolarHBondContact O-N 3.43Å
451M95.3Very high94.8Very high4 Ų421.1 Ų21.12%0.0210%0.102CC..Hα-helixtrans-65.5-44.4175.3-65.8174.569.700111.6Q141 I144 F401 H447 Q448 V449 K454 Y455 E594Q141-M451 HydrophobicContact CB-CE 4.39Å; Q141-M451 VanDerWaalsContact OE1-CE 3.22Å; I144-M451 HydrophobicContact CB-CE 3.69Å; I144-M451 HydrophobicContact CG2-CE 3.46Å; I144-M451 VanDerWaalsContact CG2-CE 3.46Å; I144-M451 HydrophobicContact CG2-SD 3.91Å; F401-M451 HydrophobicContact CD2-CB 3.81Å; F401-M451 HydrophobicContact CD2-CE 4.21Å; F401-M451 HydrophobicContact CD2-SD 4.32Å; F401-M451 HydrophobicContact CE2-CB 4.22Å; F401-M451 HydrophobicContact CE2-CE 3.5Å; F401-M451 HydrophobicContact CE2-SD 3.8Å; F401-M451 HydrophobicContact CZ-CE 4.3Å; F401-M451 HydrophobicContact CZ-SD 4.31Å; H447-M451 PolarHBondContact CE1-SD 2.86Å; H447-M451 WeakPolarHBondContact O-CG 3.26Å; H447-M451 PolarHBondContact O-N 2.93Å; Q448-M451 WeakPolarHBondContact O-CB 3.38Å; Q448-M451 PolarHBondContact O-N 3.24Å; V449-M451 VanDerWaalsContact C-N 3.32Å; V449-M451 PolarHBondContact O-N 3.1Å; M451-K454 PolarHBondContact O-N 2.75Å; M451-Y455 PolarHBondContact O-N 2.8Å; M451-E594 HydrophobicContact CG-CG 3.8Å
452G96.6Very high94.8Very high0 Ų019.4 Ų19.40%09%0.093CC..Hα-helixtrans-63.1-42.317500000112.4Q448 V449 Y455 L456Q448-G452 PolarHBondContact O-N 3.36Å; V449-G452 PolarHBondContact O-N 3.01Å; G452-Y455 WeakPolarHBondContact O-CB 2.91Å; G452-Y455 PolarHBondContact O-N 2.85Å; G452-L456 WeakPolarHBondContact O-CG 3.46Å; G452-L456 PolarHBondContact O-N 3.44Å
453M97.9Very high94.6Very high2 Ų219.3 Ų19.31%0.019%0.093CC..Hα-helixtrans-69.4-36.3177.5-72.2-55-51.600113.4V449 S450 Y455 L456 E457 H463 L466 I481 D525 F590V449-M453 HydrophobicContact CG1-CG 4.43Å; V449-M453 WeakPolarHBondContact O-CG 3.39Å; V449-M453 PolarHBondContact O-N 3.17Å; S450-M453 PolarHBondContact O-N 3.26Å; M453-Y455 VanDerWaalsContact C-N 3.31Å; M453-L456 HydrophobicContact CE-CD1 4.31Å; M453-L456 PolarHBondContact O-N 3.21Å; M453-L456 HydrophobicContact SD-CD1 3.86Å; M453-E457 PolarHBondContact O-N 3.43Å; M453-H463 HydrophobicContact CE-CB 3.93Å; M453-H463 HydrophobicContact SD-CB 4.28Å; M453-L466 HydrophobicContact CE-CD2 4.17Å; M453-L466 HydrophobicContact CG-CD1 4.41Å; M453-L466 HydrophobicContact CG-CD2 3.8Å; M453-L466 HydrophobicContact SD-CD1 4Å; M453-L466 HydrophobicContact SD-CD2 3.79Å; M453-L466 HydrophobicContact SD-CG 4.39Å; M453-I481 HydrophobicContact CG-CD1 3.72Å; M453-I481 HydrophobicContact SD-CD1 3.78Å; M453-I481 HydrophobicContact SD-CG2 4.46Å; M453-D525 HydrophobicContact CE-CB 3.63Å; M453-F590 HydrophobicContact CB-CD1 3.51Å; M453-F590 HydrophobicContact CB-CD2 4.02Å; M453-F590 HydrophobicContact CB-CE1 3.37Å; M453-F590 HydrophobicContact CB-CE2 3.88Å; M453-F590 HydrophobicContact CB-CG 3.84Å; M453-F590 HydrophobicContact CB-CZ 3.56Å; M453-F590 HydrophobicContact CE-CD2 4.44Å; M453-F590 HydrophobicContact CE-CE2 3.58Å; M453-F590 HydrophobicContact CE-CZ 3.65Å; M453-F590 HydrophobicContact CG-CD1 4.47Å; M453-F590 HydrophobicContact CG-CE1 3.86Å; M453-F590 HydrophobicContact CG-CE2 4.46Å; M453-F590 HydrophobicContact CG-CZ 3.85Å
454K95.9Very high94.5Very high55 Ų5520.4 Ų20.424%0.23910%0.097CC..Hα-helixtrans-59.1-45.1170.4-177.2-154.3163.1-171.60110.7S450 M451 L456 E457 D458 F590 E594S450-K454 WeakPolarHBondContact O-CB 2.99Å; S450-K454 PolarHBondContact O-N 3.43Å; M451-K454 PolarHBondContact O-N 2.75Å; K454-L456 VanDerWaalsContact C-N 3.33Å; K454-L456 PolarHBondContact O-N 2.88Å; K454-E457 WeakPolarHBondContact O-CB 2.78Å; K454-E457 PolarHBondContact O-N 3.03Å; K454-D458 WeakPolarHBondContact CE-OD2 3.4Å; K454-D458 PolarHBondContact O-N 3.46Å; K454-F590 HydrophobicContact CB-CB 4.01Å; K454-E594 HydrophobicContact CB-CB 4.45Å; K454-E594 HydrophobicContact CD-CB 4.45Å; K454-E594 HydrophobicContact CD-CG 4.45Å
455Y95.3Very high94.3Very high22 Ų2220.9 Ų20.99%0.08610%0.099CC..Hα-helixtrans-58.9-43.6175.6172.7-93.2000112.2L397 D398 N399 I402 M451 G452 M453 E457 D458 K459L397-Y455 HydrophobicContact CB-CE1 4.24Å; L397-Y455 HydrophobicContact CD2-CE1 4Å; D398-Y455 PolarHBondContact N-OH 3.44Å; D398-Y455 WeakPolarHBondContact O-CE2 3.46Å; D398-Y455 PolarHBondContact O-OH 3.06Å; N399-Y455 HydrophobicContact CB-CD1 3.57Å; N399-Y455 HydrophobicContact CB-CD2 3.98Å; N399-Y455 HydrophobicContact CB-CE1 3.83Å; N399-Y455 HydrophobicContact CB-CE2 4.18Å; N399-Y455 HydrophobicContact CB-CG 3.65Å; I402-Y455 HydrophobicContact CD1-CD1 4.29Å; I402-Y455 HydrophobicContact CD1-CE1 4Å; M451-Y455 PolarHBondContact O-N 2.8Å; G452-Y455 WeakPolarHBondContact O-CB 2.91Å; G452-Y455 PolarHBondContact O-N 2.85Å; M453-Y455 VanDerWaalsContact C-N 3.31Å; Y455-E457 VanDerWaalsContact C-N 3.35Å; Y455-D458 PolarHBondContact O-N 3.24Å; Y455-K459 HydrophobicContact CD1-CG 4.45Å; Y455-K459 HydrophobicContact CE1-CG 3.98Å; Y455-K459 HydrophobicContact CE2-CG 4.24Å; Y455-K459 WeakPolarHBondContact O-CG 3.39Å; Y455-K459 PolarHBondContact O-N 3.08Å; Y455-K459 VanDerWaalsContact O-N 3.09Å; Y455-K459 WeakPolarHBondContact OH-CE 3.36Å
456L93.8Very high94.2Very high0 Ų020.8 Ų20.80%010%0.099CC..Hα-helixtrans-64.3-39.3176.6-64.4176.2000112.1L397 I402 G452 M453 K454 K459 N460 F461 F484L397-L456 HydrophobicContact CD1-CD2 3.72Å; L397-L456 HydrophobicContact CD2-CD2 4.39Å; I402-L456 HydrophobicContact CG2-CD2 4.43Å; I402-L456 HydrophobicContact CG2-CG 4.43Å; G452-L456 WeakPolarHBondContact O-CG 3.46Å; G452-L456 PolarHBondContact O-N 3.44Å; M453-L456 HydrophobicContact CE-CD1 4.31Å; M453-L456 PolarHBondContact O-N 3.21Å; M453-L456 HydrophobicContact SD-CD1 3.86Å; K454-L456 VanDerWaalsContact C-N 3.33Å; K454-L456 PolarHBondContact O-N 2.88Å; L456-K459 CarbonylContact O-C 3.48Å; L456-K459 PolarHBondContact O-N 2.94Å; L456-N460 PolarHBondContact O-N 2.98Å; L456-F461 HydrophobicContact CB-CB 4.41Å; L456-F461 HydrophobicContact CD2-CB 4.39Å; L456-F461 HydrophobicContact CD2-CD1 3.91Å; L456-F461 HydrophobicContact CD2-CG 4.41Å; L456-F461 PolarHBondContact O-N 2.81Å; L456-F484 HydrophobicContact CD1-CE1 3.81Å; L456-F484 HydrophobicContact CD2-CE1 4.19Å
457E94.6Very high94.1Very high31 Ų3120.8 Ų20.815%0.14510%0.099CC..Hα-helixtrans-60.2-47173179.6174.1-103.600111.4M453 K454 Y455 K459 N460 S522 F590 K591M453-E457 PolarHBondContact O-N 3.43Å; K454-E457 WeakPolarHBondContact O-CB 2.78Å; K454-E457 PolarHBondContact O-N 3.03Å; Y455-E457 VanDerWaalsContact C-N 3.35Å; E457-K459 PolarHBondContact O-N 2.73Å; E457-N460 PolarHBondContact O-N 2.78Å; E457-S522 VanDerWaalsContact OE1-CB 3.32Å; E457-S522 WeakPolarHBondContact OE1-CB 3.49Å; E457-F590 HydrophobicContact CB-CB 4.4Å; E457-F590 HydrophobicContact CB-CD2 4.25Å; E457-F590 PolarHBondContact OE1-N 3.44Å; E457-F590 WeakPolarHBondContact OE2-CA 3.37Å; E457-F590 WeakPolarHBondContact OE2-CB 3.46Å; E457-F590 PolarHBondContact OE2-N 2.94Å; E457-K591 PolarHBondContact OE2-N 2.91Å
458D92.4Very high94.2Very high101 Ų10120.8 Ų20.854%0.5410%0.099SC..Hα-helixtrans-62.2-23.5176.8-69.4-24.6000112.4K454 Y455K454-D458 WeakPolarHBondContact CE-OD2 3.4Å; K454-D458 PolarHBondContact O-N 3.46Å; Y455-D458 PolarHBondContact O-N 3.24Å
459K90.4Very high94Very high107 Ų10724.2 Ų24.247%0.46511%0.112SC..THydrogen-bonded Turntrans-94.68.8174.8-63-59.2-178-172.30113.7L397 Y455 L456 E457 F461L397-K459 HydrophobicContact CD2-CB 4.03Å; L397-K459 HydrophobicContact CD2-CG 4.05Å; Y455-K459 HydrophobicContact CD1-CG 4.45Å; Y455-K459 HydrophobicContact CE1-CG 3.98Å; Y455-K459 HydrophobicContact CE2-CG 4.24Å; Y455-K459 WeakPolarHBondContact O-CG 3.39Å; Y455-K459 PolarHBondContact O-N 3.08Å; Y455-K459 VanDerWaalsContact O-N 3.09Å; Y455-K459 WeakPolarHBondContact OH-CE 3.36Å; L456-K459 CarbonylContact O-C 3.48Å; L456-K459 PolarHBondContact O-N 2.94Å; E457-K459 PolarHBondContact O-N 2.73Å; K459-F461 HydrophobicContact CB-CB 4.44Å; K459-F461 PolarHBondContact O-N 2.92Å
460N89.2Confident93.9Very high77 Ų7724.7 Ų24.741%0.41212%0.115SC..THydrogen-bonded Turntrans51.839.2-175.7-64.7-44.9000112.9L456 E457 L490L456-N460 PolarHBondContact O-N 2.98Å; E457-N460 PolarHBondContact O-N 2.78Å; N460-L490 HydrophobicContact CB-CB 4.42Å; N460-L490 PolarHBondContact O-N 2.86Å
461F88.8Confident93.8Very high2 Ų224.7 Ų24.71%0.00912%0.115CC..EExtended strand (participates in β ladder)trans-113.7114.1-175.2-165.3-88.1000110.6I393 M394 L397 L456 K459 F484 S487 A489I393-F461 HydrophobicContact CG2-CD2 3.83Å; I393-F461 HydrophobicContact CG2-CE2 3.9Å; M394-F461 HydrophobicContact CG-CE2 4.27Å; M394-F461 HydrophobicContact CG-CZ 3.82Å; L397-F461 HydrophobicContact CD1-CD1 4.12Å; L397-F461 HydrophobicContact CD1-CD2 4.21Å; L397-F461 HydrophobicContact CD1-CE1 4.1Å; L397-F461 HydrophobicContact CD1-CE2 4.22Å; L397-F461 HydrophobicContact CD1-CG 4.16Å; L397-F461 HydrophobicContact CD1-CZ 4.16Å; L456-F461 HydrophobicContact CB-CB 4.41Å; L456-F461 HydrophobicContact CD2-CB 4.39Å; L456-F461 HydrophobicContact CD2-CD1 3.91Å; L456-F461 HydrophobicContact CD2-CG 4.41Å; L456-F461 PolarHBondContact O-N 2.81Å; K459-F461 HydrophobicContact CB-CB 4.44Å; K459-F461 PolarHBondContact O-N 2.92Å; F461-F484 HydrophobicContact CD1-CD1 4.48Å; F461-F484 HydrophobicContact CE1-CB 4.45Å; F461-F484 AromaticContact CE1-CD1 3.6Å; F461-F484 HydrophobicContact CE1-CD1 3.6Å; F461-F484 HydrophobicContact CE1-CE1 4.13Å; F461-F484 HydrophobicContact CE1-CG 4.25Å; F461-F484 HydrophobicContact CZ-CB 4.49Å; F461-F484 HydrophobicContact CZ-CD1 4.36Å; F461-S487 VanDerWaalsContact CZ-CB 3.43Å; F461-A489 HydrophobicContact CD2-CB 4.18Å; F461-A489 HydrophobicContact CE2-CB 4.5Å
462V91.8Very high93.9Very high0 Ų026.4 Ų26.40%012%0.123CC..EExtended strand (participates in β ladder)trans-93.1122.8-177.4-169.50000109.6R464 S487 K488 L490 F520 D525V462-R464 HydrophobicContact CB-CG 4.22Å; V462-R464 HydrophobicContact CG1-CG 3.65Å; V462-S487 WeakPolarHBondContact O-CA 3.38Å; V462-S487 VanDerWaalsContact O-CB 3.23Å; V462-S487 WeakPolarHBondContact O-CB 3.39Å; V462-K488 PolarHBondContact N-O 3.39Å; V462-K488 PolarHBondContact O-N 3.38Å; V462-L490 HydrophobicContact CG2-CD1 3.61Å; V462-L490 HydrophobicContact CG2-CD2 4.16Å; V462-L490 HydrophobicContact CG2-CG 3.84Å; V462-F520 HydrophobicContact CG1-CB 4.19Å; V462-D525 VanDerWaalsContact CG1-OD2 3.25Å; V462-D525 WeakPolarHBondContact CG1-OD2 3.49Å
463H92.1Very high93.8Very high0 Ų026.4 Ų26.40%012%0.123CC..  trans-70.6-47.3-175.7-171.9-73.2000112.2M453 D465 L466 I481 S482 F484 S487 D525M453-H463 HydrophobicContact CE-CB 3.93Å; M453-H463 HydrophobicContact SD-CB 4.28Å; H463-D465 PolarHBondContact CE1-O 2.99Å; H463-D465 VanDerWaalsContact CE1-O 3.31Å; H463-D465 PolarHBondContact ND1-N 2.9Å; H463-D465 VanDerWaalsContact ND1-N 3.18Å; H463-D465 PolarHBondContact O-N 3.29Å; H463-L466 PolarHBondContact ND1-N 2.82Å; H463-I481 VanDerWaalsContact CD2-CG2 3.42Å; H463-I481 WeakPolarHBondContact CD2-CG2 3.5Å; H463-I481 VanDerWaalsContact NE2-CG2 3.29Å; H463-I481 WeakPolarHBondContact NE2-CG2 3.33Å; H463-S482 PolarHBondContact CE1-O 3.47Å; H463-S482 PolarHBondContact NE2-O 2.9Å; H463-F484 AromaticContact CD2-CD1 3.82Å; H463-F484 AromaticContact CD2-CE1 3.73Å; H463-S487 WeakPolarHBondContact CA-OG 3.44Å; H463-S487 WeakPolarHBondContact O-CA 3.41Å; H463-S487 PolarHBondContact O-OG 3.48Å; H463-D525 PolarHBondContact N-OD2 3.3Å
464R91Very high93.5Very high22 Ų2228 Ų288%0.08313%0.133CC..SBendtrans69.1-17.2177-56.9176.147.7-153.31.7116.8V462 L486 Y510 F520 D525V462-R464 HydrophobicContact CB-CG 4.22Å; V462-R464 HydrophobicContact CG1-CG 3.65Å; R464-L486 HydrophobicContact CB-CB 4.26Å; R464-L486 WeakPolarHBondContact CD-O 3.33Å; R464-L486 PolarHBondContact NE-O 3.31Å; R464-L486 VanDerWaalsContact NE-O 3.17Å; R464-L486 PolarHBondContact NH1-O 3.33Å; R464-Y510 WeakPolarHBondContact O-CE1 3.45Å; R464-F520 HydrophobicContact CB-CD1 4.19Å; R464-F520 HydrophobicContact CG-CB 4.02Å; R464-F520 HydrophobicContact CG-CD1 3.84Å; R464-F520 HydrophobicContact CG-CG 4.07Å; R464-D525 PolarHBondContact N-OD1 3.43Å
465D90.3Very high93.2Very high12 Ų1226.7 Ų26.76%0.06413%0.129CC..  trans-130.841.2173.9-16322.7000113.7H463 A467 R469 N470 L486 P506H463-D465 PolarHBondContact CE1-O 2.99Å; H463-D465 VanDerWaalsContact CE1-O 3.31Å; H463-D465 PolarHBondContact ND1-N 2.9Å; H463-D465 VanDerWaalsContact ND1-N 3.18Å; H463-D465 PolarHBondContact O-N 3.29Å; D465-A467 PolarHBondContact O-N 3.5Å; D465-R469 IonicContact OD1-CZ 3.85Å; D465-R469 IonicContact OD1-NH2 2.72Å; D465-R469 PolarHBondContact OD1-NH2 3.03Å; D465-R469 IonicContact OD2-NE 3.3Å; D465-R469 IonicContact OD2-NH2 3.06Å; D465-N470 PolarHBondContact O-ND2 3.47Å; D465-N470 PolarHBondContact OD2-ND2 3.06Å; D465-L486 HydrophobicContact CB-CB 4.41Å; D465-L486 HydrophobicContact CB-CD1 4.04Å; D465-P506 WeakPolarHBondContact OD1-CG 3.17Å
466L95.8Very high92.9Very high0 Ų030 Ų300%015%0.145CC..  trans-71.3117.5-180-179.865000110.1V449 M453 H463 I481 F529 T532 F590V449-L466 HydrophobicContact CG1-CD1 4.28Å; M453-L466 HydrophobicContact CE-CD2 4.17Å; M453-L466 HydrophobicContact CG-CD1 4.41Å; M453-L466 HydrophobicContact CG-CD2 3.8Å; M453-L466 HydrophobicContact SD-CD1 4Å; M453-L466 HydrophobicContact SD-CD2 3.79Å; M453-L466 HydrophobicContact SD-CG 4.39Å; H463-L466 PolarHBondContact ND1-N 2.82Å; L466-I481 HydrophobicContact CD1-CG2 4.33Å; L466-F529 HydrophobicContact CD2-CB 3.7Å; L466-F529 HydrophobicContact CD2-CD2 4.2Å; L466-F529 HydrophobicContact CD2-CG 4.47Å; L466-T532 PolarHBondContact O-OG1 3.01Å; L466-F590 HydrophobicContact CD2-CZ 4.46Å
467A96Very high92.6Very high0 Ų032.1 Ų32.10%016%0.155CC..SBendtrans-158.2160.9-178.100000110.4D465 R469 N470 V471 W509 T532D465-A467 PolarHBondContact O-N 3.5Å; A467-R469 HydrophobicContact CB-CG 3.85Å; A467-R469 PolarHBondContact O-N 3.27Å; A467-R469 VanDerWaalsContact O-N 3.08Å; A467-N470 CarbonylContact O-C 3.58Å; A467-N470 WeakPolarHBondContact O-CA 3.47Å; A467-N470 PolarHBondContact O-N 2.98Å; A467-V471 PolarHBondContact O-N 3.13Å; A467-W509 HydrophobicContact CB-CD2 4.31Å; A467-W509 HydrophobicContact CB-CG 4.22Å; A467-W509 HydrophobicContact CB-CZ2 4.46Å; A467-T532 VanDerWaalsContact CA-OG1 3.29Å; A467-T532 WeakPolarHBondContact CA-OG1 3.39Å
468A96.9Very high92.6Very high0 Ų030.7 Ų30.70%015%0.148CC..THydrogen-bonded Turntrans-65.1-17.5-179.700000114L426 N427 N470 T532 E535L426-A468 WeakPolarHBondContact CB-O 3.5Å; L426-A468 HydrophobicContact CD2-CB 4.45Å; L426-A468 PolarHBondContact N-O 2.68Å; N427-A468 HydrophobicContact CB-CB 3.84Å; N427-A468 PolarHBondContact N-O 3.05Å; A468-N470 VanDerWaalsContact C-N 3.29Å; A468-T532 HydrophobicContact CB-CG2 4.26Å; A468-E535 HydrophobicContact CB-CB 3.74Å; A468-E535 HydrophobicContact CB-CG 4.34Å; A468-E535 WeakPolarHBondContact CB-OE2 3.33Å; A468-E535 PolarHBondContact N-OE2 3.01Å
469R94.3Very high92.8Very high72 Ų7225.9 Ų25.927%0.27212%0.123SC..THydrogen-bonded Turntrans-71.6-23.6169.960.8170.9175.6-75.5-3.2113.5P425 D465 A467 W509P425-R469 WeakPolarHBondContact CB-O 3.44Å; D465-R469 IonicContact OD1-CZ 3.85Å; D465-R469 IonicContact OD1-NH2 2.72Å; D465-R469 PolarHBondContact OD1-NH2 3.03Å; D465-R469 IonicContact OD2-NE 3.3Å; D465-R469 IonicContact OD2-NH2 3.06Å; A467-R469 HydrophobicContact CB-CG 3.85Å; A467-R469 PolarHBondContact O-N 3.27Å; A467-R469 VanDerWaalsContact O-N 3.08Å; R469-W509 VanDerWaalsContact NH1-CH2 3.31Å; R469-W509 VanDerWaalsContact NH1-CZ2 3.31Å
470N95.1Very high93Very high12 Ų1220.9 Ų20.96%0.06410%0.101CC..SBendtrans-106.45-176.8-68.5-12.4000111.4D465 A467 A468 S482 D483D465-N470 PolarHBondContact O-ND2 3.47Å; D465-N470 PolarHBondContact OD2-ND2 3.06Å; A467-N470 CarbonylContact O-C 3.58Å; A467-N470 WeakPolarHBondContact O-CA 3.47Å; A467-N470 PolarHBondContact O-N 2.98Å; A468-N470 VanDerWaalsContact C-N 3.29Å; N470-S482 WeakPolarHBondContact O-CA 3.27Å; N470-S482 PolarHBondContact O-N 2.85Å; N470-D483 HydrophobicContact CB-CB 4.36Å
471V97.6Very high93.4Very high0 Ų017.2 Ų17.20%08%0.082CC..EExtended strand (participates in β ladder)trans-96.3111.9163.3179.70000106.9P425 L426 V449 A467 A479 T532P425-V471 CarbonylContact C-O 3.55Å; P425-V471 WeakPolarHBondContact CA-O 3.49Å; L426-V471 HydrophobicContact CB-CB 3.93Å; L426-V471 HydrophobicContact CB-CG1 4.03Å; L426-V471 WeakPolarHBondContact CB-O 3.49Å; L426-V471 HydrophobicContact CD2-CB 4.14Å; L426-V471 HydrophobicContact CD2-CG1 4Å; L426-V471 PolarHBondContact N-O 3.01Å; V449-V471 HydrophobicContact CG1-CG2 4.31Å; V449-V471 HydrophobicContact CG2-CB 4.41Å; V449-V471 HydrophobicContact CG2-CG1 3.61Å; V449-V471 HydrophobicContact CG2-CG2 3.85Å; A467-V471 PolarHBondContact O-N 3.13Å; V471-A479 HydrophobicContact CG1-CB 3.86Å; V471-T532 HydrophobicContact CG2-CG2 4.26Å
472L95.7Very high93.5Very high39 Ų3917.7 Ų17.720%0.2049%0.085CC..EExtended strand (participates in β ladder)trans-99.9144.4179.1-56.1-174.6000110.4V403 A421 G424 P425 A479 K480 S482V403-L472 HydrophobicContact CG2-CD1 4.32Å; A421-L472 HydrophobicContact CB-CB 3.54Å; A421-L472 HydrophobicContact CB-CD1 4.14Å; G424-L472 CarbonylContact O-C 3.58Å; G424-L472 WeakPolarHBondContact O-CA 3.45Å; P425-L472 HydrophobicContact CB-CD2 3.96Å; L472-A479 CarbonylContact O-C 3.45Å; L472-A479 WeakPolarHBondContact O-CA 3.37Å; L472-K480 PolarHBondContact N-O 2.98Å; L472-K480 PolarHBondContact O-N 3.09Å; L472-S482 WeakPolarHBondContact CD1-OG 3.45Å
473L94.8Very high92.9Very high0 Ų019.5 Ų19.50%010%0.095CC..EExtended strand (participates in β ladder)trans-99.6131.8178.2-62.4-175.5000110A421 A423 G424 L426 F429 L445 F478 A479A421-L473 CarbonylContact C-O 3.58Å; A421-L473 VanDerWaalsContact C-O 3.28Å; A423-L473 WeakPolarHBondContact CA-O 3.48Å; A423-L473 HydrophobicContact CB-CB 3.69Å; A423-L473 WeakPolarHBondContact CB-O 3.41Å; A423-L473 PolarHBondContact N-O 3.45Å; G424-L473 PolarHBondContact O-N 3.49Å; L426-L473 HydrophobicContact CD1-CD1 4.27Å; L426-L473 HydrophobicContact CD1-CD2 4.2Å; F429-L473 HydrophobicContact CB-CD1 3.67Å; F429-L473 HydrophobicContact CD1-CD1 3.38Å; F429-L473 HydrophobicContact CD2-CD1 3.74Å; F429-L473 HydrophobicContact CE1-CD1 3.86Å; F429-L473 HydrophobicContact CE2-CD1 4.17Å; F429-L473 HydrophobicContact CG-CD1 3.31Å; F429-L473 HydrophobicContact CZ-CD1 4.24Å; L445-L473 HydrophobicContact CD1-CD2 4.25Å; L445-L473 HydrophobicContact CD2-CD2 3.89Å; L473-F478 WeakPolarHBondContact CA-O 3.46Å; L473-A479 HydrophobicContact CD2-CB 3.78Å
474V91.5Very high91.7Very high35 Ų3520.2 Ų20.221%0.21210%0.098CC..EExtended strand (participates in β ladder)trans-78.4-47.4164.5179.30000108.4C319 A421 F478 K480C319-V474 HydrophobicContact CB-CG1 4.33Å; A421-V474 HydrophobicContact CB-CG2 4.38Å; V474-F478 HydrophobicContact CB-CB 4.2Å; V474-F478 HydrophobicContact CB-CD1 3.62Å; V474-F478 HydrophobicContact CB-CE1 4.3Å; V474-F478 HydrophobicContact CB-CG 4.08Å; V474-F478 HydrophobicContact CG1-CD1 3.91Å; V474-F478 HydrophobicContact CG1-CE1 4.45Å; V474-F478 HydrophobicContact CG2-CD1 3.76Å; V474-F478 HydrophobicContact CG2-CE1 3.99Å; V474-F478 HydrophobicContact CG2-CG 4.25Å; V474-F478 PolarHBondContact N-O 2.79Å; V474-K480 HydrophobicContact CG2-CD 3.63Å; V474-K480 HydrophobicContact CG2-CG 4.07Å
475N89.3Confident90.2Very high28 Ų2820.4 Ų20.415%0.1511%0.107CC..EExtended strand (participates in β ladder)trans-146.9-173172.867.245.4000109.7C319 Q477 F478C319-N475 PolarHBondContact SG-ND2 2.91Å; N475-Q477 PolarHBondContact O-N 3.34Å; N475-Q477 WeakPolarHBondContact OD1-CA 3.48Å; N475-Q477 PolarHBondContact OD1-N 2.91Å; N475-F478 PolarHBondContact O-N 3.49Å; N475-F478 WeakPolarHBondContact OD1-CB 3.34Å; N475-F478 PolarHBondContact OD1-N 3.48Å
476Q89.2Confident88.7Confident93 Ų9321.2 Ų21.244%0.43511%0.111SC..THydrogen-bonded Turntrans-64.8-21.5-175.6-53.4-165.42700114.2F429F429-Q476 HydrophobicContact CE2-CG 3.95Å; F429-Q476 HydrophobicContact CZ-CB 3.95Å; F429-Q476 HydrophobicContact CZ-CG 3.75Å
477Q89Confident87.3Confident44 Ų4421.3 Ų21.321%0.20611%0.112CC..THydrogen-bonded Turntrans-113.96.3-176-62.1-61.3-26.700112.5D441 N444 Q448 N475D441-Q477 PolarHBondContact OD1-NE2 2.82Å; N444-Q477 PolarHBondContact ND2-OE1 3.16Å; Q448-Q477 PolarHBondContact NE2-O 3.23Å; N475-Q477 PolarHBondContact O-N 3.34Å; N475-Q477 WeakPolarHBondContact OD1-CA 3.48Å; N475-Q477 PolarHBondContact OD1-N 2.91Å
478F93.6Very high86.1Confident0 Ų022.8 Ų22.80%012%0.118CC..EExtended strand (participates in β ladder)trans-137.4107.5-175.4-171.5-164.5000112.5P316 C319 F322 P400 F401 L473 V474 N475 K480P316-F478 HydrophobicContact CB-CB 4.25Å; P316-F478 HydrophobicContact CB-CD1 4Å; P316-F478 HydrophobicContact CB-CD2 3.87Å; P316-F478 HydrophobicContact CB-CE1 4.27Å; P316-F478 HydrophobicContact CB-CE2 4.16Å; P316-F478 HydrophobicContact CB-CG 3.8Å; P316-F478 HydrophobicContact CB-CZ 4.34Å; P316-F478 HydrophobicContact CG-CB 4.15Å; P316-F478 HydrophobicContact CG-CD2 4.23Å; P316-F478 HydrophobicContact CG-CG 4.17Å; C319-F478 HydrophobicContact CB-CD1 4.29Å; C319-F478 HydrophobicContact CB-CE1 4.3Å; F322-F478 HydrophobicContact CD2-CE1 4.21Å; F322-F478 HydrophobicContact CD2-CE2 4.26Å; F322-F478 AromaticContact CD2-CZ 3.75Å; F322-F478 HydrophobicContact CD2-CZ 3.75Å; F322-F478 HydrophobicContact CE2-CZ 4.43Å; P400-F478 WeakPolarHBondContact O-CE2 3.21Å; P400-F478 WeakPolarHBondContact O-CZ 3.42Å; F401-F478 HydrophobicContact CD1-CD2 4.22Å; F401-F478 AromaticContact CD1-CE2 3.77Å; F401-F478 HydrophobicContact CD1-CE2 3.77Å; F401-F478 HydrophobicContact CE1-CD2 4.19Å; F401-F478 AromaticContact CE1-CE2 3.86Å; F401-F478 HydrophobicContact CE1-CE2 3.86Å; L473-F478 WeakPolarHBondContact CA-O 3.46Å; V474-F478 HydrophobicContact CB-CB 4.2Å; V474-F478 HydrophobicContact CB-CD1 3.62Å; V474-F478 HydrophobicContact CB-CE1 4.3Å; V474-F478 HydrophobicContact CB-CG 4.08Å; V474-F478 HydrophobicContact CG1-CD1 3.91Å; V474-F478 HydrophobicContact CG1-CE1 4.45Å; V474-F478 HydrophobicContact CG2-CD1 3.76Å; V474-F478 HydrophobicContact CG2-CE1 3.99Å; V474-F478 HydrophobicContact CG2-CG 4.25Å; V474-F478 PolarHBondContact N-O 2.79Å; N475-F478 PolarHBondContact O-N 3.49Å; N475-F478 WeakPolarHBondContact OD1-CB 3.34Å; N475-F478 PolarHBondContact OD1-N 3.48Å; F478-K480 HydrophobicContact CE2-CG 4.12Å; F478-K480 HydrophobicContact CZ-CD 4.47Å; F478-K480 VanDerWaalsContact CZ-CE 3.41Å; F478-K480 HydrophobicContact CZ-CG 4.33Å
479A96.3Very high84.6Confident1 Ų124.2 Ų24.21%0.00813%0.13CC..EExtended strand (participates in β ladder)trans-101.8147.9176.800000112.6L445 V449 V471 L472 L473L445-A479 HydrophobicContact CB-CB 4.39Å; L445-A479 HydrophobicContact CD2-CB 3.89Å; V449-A479 HydrophobicContact CG2-CB 4.31Å; V471-A479 HydrophobicContact CG1-CB 3.86Å; L472-A479 CarbonylContact O-C 3.45Å; L472-A479 WeakPolarHBondContact O-CA 3.37Å; L473-A479 HydrophobicContact CD2-CB 3.78Å
480K95.9Very high83.1Confident2 Ų222.1 Ų22.11%0.00912%0.124CC..EExtended strand (participates in β ladder)trans-137.1135.1174.1-64.9-177.3172.4-99.20110.9G321 P400 F401 V403 E419 L472 V474 F478G321-K480 PolarHBondContact O-NZ 3.44Å; P400-K480 WeakPolarHBondContact O-CE 3.29Å; P400-K480 PolarHBondContact O-NZ 3.43Å; F401-K480 CarbonylContact O-C 3.55Å; F401-K480 WeakPolarHBondContact O-CA 3.27Å; V403-K480 HydrophobicContact CG2-CB 3.69Å; V403-K480 HydrophobicContact CG2-CD 4.4Å; E419-K480 VanDerWaalsContact CD-NZ 3.32Å; E419-K480 VanDerWaalsContact OE1-CD 3.27Å; E419-K480 WeakPolarHBondContact OE1-CD 3.49Å; E419-K480 WeakPolarHBondContact OE1-CE 3.46Å; E419-K480 IonicContact OE1-NZ 3.65Å; E419-K480 PolarHBondContact OE1-NZ 3.38Å; E419-K480 IonicContact OE2-NZ 3.7Å; E419-K480 PolarHBondContact OE2-NZ 3.07Å; L472-K480 PolarHBondContact N-O 2.98Å; L472-K480 PolarHBondContact O-N 3.09Å; V474-K480 HydrophobicContact CG2-CD 3.63Å; V474-K480 HydrophobicContact CG2-CG 4.07Å; F478-K480 HydrophobicContact CE2-CG 4.12Å; F478-K480 HydrophobicContact CZ-CD 4.47Å; F478-K480 VanDerWaalsContact CZ-CE 3.41Å; F478-K480 HydrophobicContact CZ-CG 4.33Å
481I96.3Very high81.4Confident0 Ų023.3 Ų23.30%014%0.139CC..EExtended strand (participates in β ladder)trans-75.7133.3174.8-57.7159.6000109.2F401 I402 V403 V449 M453 H463 L466F401-I481 PolarHBondContact O-N 3.15Å; I402-I481 CarbonylContact C-O 3.55Å; I402-I481 WeakPolarHBondContact CA-O 3.37Å; I402-I481 HydrophobicContact CG2-CB 4.35Å; I402-I481 HydrophobicContact CG2-CD1 4.33Å; V403-I481 WeakPolarHBondContact CB-O 3.48Å; V403-I481 PolarHBondContact N-O 3.1Å; V449-I481 HydrophobicContact CG1-CD1 4.26Å; V449-I481 HydrophobicContact CG1-CG1 4.1Å; V449-I481 WeakPolarHBondContact O-CD1 3.4Å; M453-I481 HydrophobicContact CG-CD1 3.72Å; M453-I481 HydrophobicContact SD-CD1 3.78Å; M453-I481 HydrophobicContact SD-CG2 4.46Å; H463-I481 VanDerWaalsContact CD2-CG2 3.42Å; H463-I481 WeakPolarHBondContact CD2-CG2 3.5Å; H463-I481 VanDerWaalsContact NE2-CG2 3.29Å; H463-I481 WeakPolarHBondContact NE2-CG2 3.33Å; L466-I481 HydrophobicContact CD1-CG2 4.33Å
482S91.6Very high79.3Confident11 Ų1127.9 Ų27.98%0.07718%0.177CC..  trans-133.1178.8-175.8-162.70000111.8H463 N470 L472H463-S482 PolarHBondContact CE1-O 3.47Å; H463-S482 PolarHBondContact NE2-O 2.9Å; N470-S482 WeakPolarHBondContact O-CA 3.27Å; N470-S482 PolarHBondContact O-N 2.85Å; L472-S482 WeakPolarHBondContact CD1-OG 3.45Å
483D78.8Confident77.6Confident39 Ų3933.6 Ų33.621%0.20921%0.207CC..  trans58.264.9176.2-156.26.1000114.9K373 N470 G485K373-D483 IonicContact NZ-OD1 2.68Å; K373-D483 PolarHBondContact NZ-OD1 3.1Å; N470-D483 HydrophobicContact CB-CB 4.36Å; D483-G485 PolarHBondContact O-N 3.11Å; D483-G485 PolarHBondContact OD1-N 3.13Å
484F67.2Low76.5Confident14 Ų1438 Ų386%0.06123%0.231CC..  trans-72.916169.2-53.9-71.7000114M394 I402 L456 F461 H463 L486 S487M394-F484 HydrophobicContact CE-CB 3.65Å; M394-F484 HydrophobicContact CE-CD2 3.76Å; M394-F484 HydrophobicContact CE-CG 4.11Å; M394-F484 HydrophobicContact CG-CB 4.28Å; M394-F484 HydrophobicContact SD-CB 3.63Å; M394-F484 HydrophobicContact SD-CG 4.42Å; I402-F484 HydrophobicContact CB-CZ 4.09Å; I402-F484 HydrophobicContact CG2-CZ 4.4Å; L456-F484 HydrophobicContact CD1-CE1 3.81Å; L456-F484 HydrophobicContact CD2-CE1 4.19Å; F461-F484 HydrophobicContact CD1-CD1 4.48Å; F461-F484 HydrophobicContact CE1-CB 4.45Å; F461-F484 AromaticContact CE1-CD1 3.6Å; F461-F484 HydrophobicContact CE1-CD1 3.6Å; F461-F484 HydrophobicContact CE1-CE1 4.13Å; F461-F484 HydrophobicContact CE1-CG 4.25Å; F461-F484 HydrophobicContact CZ-CB 4.49Å; F461-F484 HydrophobicContact CZ-CD1 4.36Å; H463-F484 AromaticContact CD2-CD1 3.82Å; H463-F484 AromaticContact CD2-CE1 3.73Å; F484-L486 PolarHBondContact O-N 3.03Å; F484-S487 WeakPolarHBondContact CA-OG 3.45Å; F484-S487 WeakPolarHBondContact CB-OG 3.46Å; F484-S487 WeakPolarHBondContact CD1-OG 3.47Å; F484-S487 WeakPolarHBondContact O-CB 3.36Å; F484-S487 PolarHBondContact O-N 2.8Å; F484-S487 PolarHBondContact O-OG 2.9Å
485G59.1Low75.7Confident27 Ų2742.8 Ų42.828%0.27826%0.255SS..THydrogen-bonded Turntrans-65.3-8.2-175.300000115F353 D483F353-G485 WeakPolarHBondContact CE1-O 3.33Å; D483-G485 PolarHBondContact O-N 3.11Å; D483-G485 PolarHBondContact OD1-N 3.13Å
486L58.4Low74.9Confident29 Ų2946.6 Ų46.615%0.15227%0.268CS..THydrogen-bonded Turntrans-117.70.1171.1-78.1175.8000113F353 R464 D465 F484F353-L486 HydrophobicContact CE1-CD2 3.75Å; F353-L486 HydrophobicContact CE1-CG 4.1Å; F353-L486 HydrophobicContact CE2-CD1 4.06Å; F353-L486 HydrophobicContact CE2-CD2 4.22Å; F353-L486 HydrophobicContact CE2-CG 3.71Å; F353-L486 HydrophobicContact CZ-CD1 3.83Å; F353-L486 HydrophobicContact CZ-CD2 3.27Å; F353-L486 HydrophobicContact CZ-CG 3.27Å; R464-L486 HydrophobicContact CB-CB 4.26Å; R464-L486 WeakPolarHBondContact CD-O 3.33Å; R464-L486 PolarHBondContact NE-O 3.31Å; R464-L486 VanDerWaalsContact NE-O 3.17Å; R464-L486 PolarHBondContact NH1-O 3.33Å; D465-L486 HydrophobicContact CB-CB 4.41Å; D465-L486 HydrophobicContact CB-CD1 4.04Å; F484-L486 PolarHBondContact O-N 3.03Å
487S67Low74.2Confident1 Ų144.3 Ų44.31%0.00726%0.256CS..  trans-73.7161.5-171.9-570000112.1F461 V462 H463 F484F461-S487 VanDerWaalsContact CZ-CB 3.43Å; V462-S487 WeakPolarHBondContact O-CA 3.38Å; V462-S487 VanDerWaalsContact O-CB 3.23Å; V462-S487 WeakPolarHBondContact O-CB 3.39Å; H463-S487 WeakPolarHBondContact CA-OG 3.44Å; H463-S487 WeakPolarHBondContact O-CA 3.41Å; H463-S487 PolarHBondContact O-OG 3.48Å; F484-S487 WeakPolarHBondContact CA-OG 3.45Å; F484-S487 WeakPolarHBondContact CB-OG 3.46Å; F484-S487 WeakPolarHBondContact CD1-OG 3.47Å; F484-S487 WeakPolarHBondContact O-CB 3.36Å; F484-S487 PolarHBondContact O-N 2.8Å; F484-S487 PolarHBondContact O-OG 2.9Å
488K71.6Confident73.5Confident32 Ų3248.3 Ų48.314%0.13927%0.273CS..EExtended strand (participates in β ladder)trans-147.3132.2179.6-166.5128.5-178.9158.20110.2E386 V462 Y497E386-K488 IonicContact OE2-NZ 3.43Å; E386-K488 PolarHBondContact OE2-NZ 3.22Å; V462-K488 PolarHBondContact N-O 3.39Å; V462-K488 PolarHBondContact O-N 3.38Å; K488-Y497 HydrophobicContact CB-CG 4.4Å; K488-Y497 HydrophobicContact CD-CD1 4.11Å; K488-Y497 HydrophobicContact CD-CD2 3.5Å; K488-Y497 VanDerWaalsContact CD-CD2 3.5Å; K488-Y497 HydrophobicContact CD-CE1 3.99Å; K488-Y497 HydrophobicContact CD-CE2 3.39Å; K488-Y497 HydrophobicContact CD-CG 3.86Å; K488-Y497 HydrophobicContact CG-CD2 4.01Å; K488-Y497 HydrophobicContact CG-CE2 4.39Å; K488-Y497 HydrophobicContact CG-CG 4.13Å
489A65.2Low72.3Confident30 Ų3048.8 Ų48.825%0.24828%0.277CS..EExtended strand (participates in β ladder)trans-75.5137.7166.400000110I393 F461I393-A489 HydrophobicContact CD1-CB 3.25Å; I393-A489 HydrophobicContact CG1-CB 4.44Å; I393-A489 HydrophobicContact CG2-CB 4.14Å; F461-A489 HydrophobicContact CD2-CB 4.18Å; F461-A489 HydrophobicContact CE2-CB 4.5Å
490L62.5Low70.7Confident27 Ų2759.3 Ų59.314%0.14132%0.316CS..PPolyproline II helixtrans-90.6150173.9-58.6177000110.3N460 V462 D494N460-L490 HydrophobicContact CB-CB 4.42Å; N460-L490 PolarHBondContact O-N 2.86Å; V462-L490 HydrophobicContact CG2-CD1 3.61Å; V462-L490 HydrophobicContact CG2-CD2 4.16Å; V462-L490 HydrophobicContact CG2-CG 3.84Å; L490-D494 HydrophobicContact CB-CB 4.41Å; L490-D494 WeakPolarHBondContact CB-O 3.38Å
491G59.9Low69Low37 Ų3764.7 Ų64.738%0.38135%0.349SS..PPolyproline II helixtrans-66.1158.8167.600000110.9D493 D494G491-D493 PolarHBondContact O-N 2.76Å; G491-D493 VanDerWaalsContact O-N 3.11Å; G491-D494 PolarHBondContact O-N 2.9Å
492A53.4Low67Low96 Ų9668.4 Ų68.479%0.79338%0.38SS*.THydrogen-bonded Turntrans-58.1-27.5-177.500000113.8
493D60.1Low65.6Low159 Ų15970.1 Ų70.185%0.8540%0.4SS*.THydrogen-bonded Turntrans-100-1.4179.6-58.6-44.4000113.4G491G491-D493 PolarHBondContact O-N 2.76Å; G491-D493 VanDerWaalsContact O-N 3.11Å
494D71.3Confident64.9Low92 Ų9276.9 Ų76.949%0.49243%0.427SS..  trans-102.3120.9-176-77.6-28.6000111.5L490 G491L490-D494 HydrophobicContact CB-CB 4.41Å; L490-D494 WeakPolarHBondContact CB-O 3.38Å; G491-D494 PolarHBondContact O-N 2.9Å
495N73.8Confident65.1Low136 Ų13678.2 Ų78.273%0.72743%0.432SS*.SBendtrans-91.4-3.2175.9-66.7-29.3000113.6S521N495-S521 WeakPolarHBondContact O-CB 3.41Å
496Y73.2Confident66.2Low108 Ų10878.1 Ų78.142%0.42443%0.426SS..  trans-157.5153.2179.871.6-81.8000112.4K498 K519 F520Y496-K498 HydrophobicContact CE2-CB 4.17Å; Y496-K519 HydrophobicContact CD2-CB 4.16Å; Y496-K519 HydrophobicContact CD2-CD 4.09Å; Y496-K519 HydrophobicContact CD2-CG 3.82Å; Y496-K519 HydrophobicContact CE2-CD 4.1Å; Y496-K519 HydrophobicContact CE2-CG 3.98Å; Y496-F520 CarbonylContact C-O 3.58Å; Y496-F520 VanDerWaalsContact CA-O 3.25Å; Y496-F520 WeakPolarHBondContact CA-O 3.42Å; Y496-F520 WeakPolarHBondContact CB-O 3.39Å
497Y74.3Confident67.5Low46 Ų4679.5 Ų79.518%0.1843%0.434CS..EExtended strand (participates in β ladder)trans-100.7134.8169.6171.6-110000110.6K488 A499 K519 F520K488-Y497 HydrophobicContact CB-CG 4.4Å; K488-Y497 HydrophobicContact CD-CD1 4.11Å; K488-Y497 HydrophobicContact CD-CD2 3.5Å; K488-Y497 VanDerWaalsContact CD-CD2 3.5Å; K488-Y497 HydrophobicContact CD-CE1 3.99Å; K488-Y497 HydrophobicContact CD-CE2 3.39Å; K488-Y497 HydrophobicContact CD-CG 3.86Å; K488-Y497 HydrophobicContact CG-CD2 4.01Å; K488-Y497 HydrophobicContact CG-CE2 4.39Å; K488-Y497 HydrophobicContact CG-CG 4.13Å; Y497-A499 HydrophobicContact CE1-CB 3.9Å; Y497-K519 CarbonylContact O-C 3.57Å; Y497-K519 WeakPolarHBondContact O-CA 3.27Å; Y497-F520 HydrophobicContact CD1-CB 4.46Å; Y497-F520 HydrophobicContact CD1-CD2 4.08Å; Y497-F520 PolarHBondContact N-O 3.42Å; Y497-F520 PolarHBondContact O-N 3.32Å
498K73.7Confident68.7Low128 Ų12881.8 Ų81.856%0.55744%0.444SS*.EExtended strand (participates in β ladder)trans-108.2116.1172.9-166.4174.2-178.6-178.70110.9Y496 H518Y496-K498 HydrophobicContact CE2-CB 4.17Å; K498-H518 WeakPolarHBondContact CA-O 3.46Å
499A68.1Low69.7Low10 Ų1081.9 Ų81.98%0.08344%0.443CS..  trans-71.1138.4179.400000111.9Y497 W505 H518 F520Y497-A499 HydrophobicContact CE1-CB 3.9Å; A499-W505 HydrophobicContact CB-CZ2 4.16Å; A499-H518 HydrophobicContact CB-CB 4.2Å; A499-H518 PolarHBondContact N-O 3.23Å; A499-F520 HydrophobicContact CB-CE2 3.96Å
500R64.2Low71.1Confident222 Ų22280.6 Ų80.684%0.83843%0.432SS*.SBendtrans-82.3-25.8-178.4-65.9-177.1180179.90.9113.6
501T58.5Low72.6Confident114 Ų11479.3 Ų79.370%0.69943%0.425SS*.SBendtrans-139.1141.8-17644.20000111.9G503 W505T501-G503 PolarHBondContact O-N 3.01Å; T501-W505 VanDerWaalsContact O-CZ2 3.31Å; T501-W505 WeakPolarHBondContact O-CZ2 3.27Å
502A56.3Low74.2Confident79 Ų7977.8 Ų77.865%0.65341%0.408SS*.  trans-78.5116.1174.100000110.6W505A502-W505 HydrophobicContact CB-CH2 4.22Å; A502-W505 HydrophobicContact CB-CZ2 4.44Å
503G60.3Low76.1Confident47 Ų4773.8 Ų73.849%0.48537%0.373SS..  trans-102.8-171.9177.300000113T501 W505T501-G503 PolarHBondContact O-N 3.01Å; G503-W505 VanDerWaalsContact C-N 3.32Å; G503-W505 PolarHBondContact O-N 2.95Å
504K64.2Low77.6Confident180 Ų18066.3 Ų66.378%0.78333%0.334SS*.SBendtrans-69.488.1168.3-73.1-176.5-177.8175.50109.7
505W72.6Confident78.3Confident43 Ų4363.3 Ų63.316%0.16332%0.317CS..  trans-93.8142-174.5-65.9-14.1000113.4A499 T501 A502 G503 L507 Y510 H518A499-W505 HydrophobicContact CB-CZ2 4.16Å; T501-W505 VanDerWaalsContact O-CZ2 3.31Å; T501-W505 WeakPolarHBondContact O-CZ2 3.27Å; A502-W505 HydrophobicContact CB-CH2 4.22Å; A502-W505 HydrophobicContact CB-CZ2 4.44Å; G503-W505 VanDerWaalsContact C-N 3.32Å; G503-W505 PolarHBondContact O-N 2.95Å; W505-L507 HydrophobicContact CB-CD2 4Å; W505-L507 HydrophobicContact CE3-CD2 4.42Å; W505-L507 PolarHBondContact O-N 2.95Å; W505-Y510 HydrophobicContact CB-CD2 4.33Å; W505-Y510 HydrophobicContact CB-CE2 3.63Å; W505-Y510 AromaticContact CD2-CE2 3.88Å; W505-Y510 HydrophobicContact CD2-CE2 3.88Å; W505-Y510 HydrophobicContact CE3-CD2 4.45Å; W505-Y510 HydrophobicContact CE3-CE2 4.03Å; W505-Y510 AromaticContact CG-CE2 3.74Å; W505-Y510 HydrophobicContact CG-CE2 3.74Å; W505-H518 HydrophobicContact CH2-CB 4.21Å; W505-H518 AromaticContact CH2-CD2 3.16Å; W505-H518 WeakPolarHBondContact CH2-CD2 3.45Å; W505-H518 AromaticContact CH2-CG 3.61Å; W505-H518 AromaticContact CH2-NE2 3.44Å; W505-H518 WeakPolarHBondContact CH2-NE2 3.47Å; W505-H518 AromaticContact CZ3-CD2 3.19Å; W505-H518 WeakPolarHBondContact CZ3-CD2 3.44Å; W505-H518 AromaticContact CZ3-NE2 3.41Å; W505-H518 WeakPolarHBondContact CZ3-NE2 3.29Å
506P81.4Confident78.8Confident24 Ų2460.3 Ų60.316%0.15630%0.301CS..  trans-77.168.5174.333.7-35.3000110.5D465 K508 W509 Y510D465-P506 WeakPolarHBondContact OD1-CG 3.17Å; P506-K508 PolarHBondContact O-N 3.33Å; P506-W509 HydrophobicContact CB-CE3 3.89Å; P506-W509 HydrophobicContact CB-CZ3 4.39Å; P506-W509 PolarHBondContact O-N 3.47Å; P506-Y510 HydrophobicContact CG-CD1 4.26Å; P506-Y510 HydrophobicContact CG-CE1 3.57Å
507L85.3Confident79.5Confident59 Ų5960.9 Ų60.931%0.30931%0.306SS..THydrogen-bonded Turntrans-52-26.5-170.2-63.6177.9000115W505 W509 Y510 I515W505-L507 HydrophobicContact CB-CD2 4Å; W505-L507 HydrophobicContact CE3-CD2 4.42Å; W505-L507 PolarHBondContact O-N 2.95Å; L507-W509 VanDerWaalsContact C-N 3.28Å; L507-W509 PolarHBondContact O-N 3.39Å; L507-Y510 PolarHBondContact O-N 2.81Å; L507-I515 HydrophobicContact CD2-CG1 4.42Å
508K92.1Very high80.2Confident49 Ų4961.4 Ų61.421%0.21331%0.31CS..THydrogen-bonded Turntrans-71.1-19.2-179.5-63.7-167.9171.4-159.90114.5P506 P543 Y544 M547 V552P506-K508 PolarHBondContact O-N 3.33Å; K508-P543 WeakPolarHBondContact CD-O 3.35Å; K508-P543 PolarHBondContact NZ-O 3.21Å; K508-Y544 HydrophobicContact CB-CD2 4.18Å; K508-Y544 HydrophobicContact CG-CD2 4.46Å; K508-Y544 PolarHBondContact NZ-O 3.28Å; K508-Y544 WeakPolarHBondContact O-CE2 3.43Å; K508-M547 WeakPolarHBondContact CE-O 3.36Å; K508-M547 PolarHBondContact NZ-O 3.45Å; K508-V552 HydrophobicContact CG-CG2 4.45Å
509W94.4Very high80.9Confident33 Ų3358.8 Ų58.813%0.12530%0.299CS..THydrogen-bonded Turntrans-99.1-14.3177.4-71.1-100000112.2A467 R469 P506 L507 W527 S528 V531 E535 P543A467-W509 HydrophobicContact CB-CD2 4.31Å; A467-W509 HydrophobicContact CB-CG 4.22Å; A467-W509 HydrophobicContact CB-CZ2 4.46Å; R469-W509 VanDerWaalsContact NH1-CH2 3.31Å; R469-W509 VanDerWaalsContact NH1-CZ2 3.31Å; P506-W509 HydrophobicContact CB-CE3 3.89Å; P506-W509 HydrophobicContact CB-CZ3 4.39Å; P506-W509 PolarHBondContact O-N 3.47Å; L507-W509 VanDerWaalsContact C-N 3.28Å; L507-W509 PolarHBondContact O-N 3.39Å; W509-W527 VanDerWaalsContact O-CD1 3.28Å; W509-S528 WeakPolarHBondContact O-CA 3.34Å; W509-S528 PolarHBondContact O-OG 3.37Å; W509-V531 VanDerWaalsContact CD1-CG1 3.47Å; W509-V531 HydrophobicContact CD2-CG1 4.41Å; W509-V531 HydrophobicContact CG-CB 4.48Å; W509-V531 HydrophobicContact CG-CG1 3.98Å; W509-E535 WeakPolarHBondContact CZ2-OE1 3.48Å; W509-E535 PolarHBondContact NE1-OE2 3.48Å; W509-P543 HydrophobicContact CZ2-CG 3.87Å
510Y93Very high82Confident3 Ų358.4 Ų58.41%0.01230%0.295CS..SBendtrans-79141.6-172.7-79.313.5000112.3R464 W505 P506 L507 C514 F520 W527R464-Y510 WeakPolarHBondContact O-CE1 3.45Å; W505-Y510 HydrophobicContact CB-CD2 4.33Å; W505-Y510 HydrophobicContact CB-CE2 3.63Å; W505-Y510 AromaticContact CD2-CE2 3.88Å; W505-Y510 HydrophobicContact CD2-CE2 3.88Å; W505-Y510 HydrophobicContact CE3-CD2 4.45Å; W505-Y510 HydrophobicContact CE3-CE2 4.03Å; W505-Y510 AromaticContact CG-CE2 3.74Å; W505-Y510 HydrophobicContact CG-CE2 3.74Å; P506-Y510 HydrophobicContact CG-CD1 4.26Å; P506-Y510 HydrophobicContact CG-CE1 3.57Å; L507-Y510 PolarHBondContact O-N 2.81Å; Y510-C514 HydrophobicContact CD2-CB 3.92Å; Y510-C514 HydrophobicContact CG-CB 4.1Å; Y510-F520 HydrophobicContact CD2-CE1 4.07Å; Y510-F520 HydrophobicContact CD2-CZ 4.26Å; Y510-F520 HydrophobicContact CE1-CE1 4.19Å; Y510-F520 AromaticContact CE2-CE1 3.56Å; Y510-F520 HydrophobicContact CE2-CE1 3.56Å; Y510-F520 AromaticContact CE2-CZ 3.61Å; Y510-F520 HydrophobicContact CE2-CZ 3.61Å; Y510-F520 AromaticContact CZ-CE1 3.62Å; Y510-W527 PolarHBondContact O-NE1 3.3Å
511A95.2Very high83.5Confident0 Ų048.5 Ų48.50%026%0.26CS..  trans-67.4155.5170.400000111E513 C514 I515 W527A511-E513 HydrophobicContact CB-CG 4.44Å; A511-E513 VanDerWaalsContact CB-OE1 3.24Å; A511-E513 WeakPolarHBondContact CB-OE1 3.48Å; A511-E513 VanDerWaalsContact CB-OE2 3.25Å; A511-E513 WeakPolarHBondContact CB-OE2 3.42Å; A511-E513 PolarHBondContact O-N 2.86Å; A511-C514 WeakPolarHBondContact O-CB 3.36Å; A511-C514 PolarHBondContact O-N 2.83Å; A511-I515 PolarHBondContact O-N 3.32Å; A511-W527 HydrophobicContact CB-CB 3.69Å; A511-W527 HydrophobicContact CB-CD2 4.06Å; A511-W527 HydrophobicContact CB-CE3 4.42Å; A511-W527 HydrophobicContact CB-CG 3.72Å
512P93.1Very high85.2Confident5 Ų543.8 Ų43.83%0.03223%0.232CC..Hα-helixtrans-52.7-40.6179.5-26.734.7000113.3C514 I515 N516 W527 I556P512-C514 VanDerWaalsContact C-N 3.31Å; P512-C514 PolarHBondContact O-N 3.45Å; P512-I515 PolarHBondContact O-N 2.62Å; P512-N516 WeakPolarHBondContact O-CB 3.33Å; P512-N516 VanDerWaalsContact O-CG 3.26Å; P512-N516 PolarHBondContact O-N 3.37Å; P512-N516 PolarHBondContact O-ND2 3.19Å; P512-W527 HydrophobicContact CG-CH2 3.95Å; P512-W527 HydrophobicContact CG-CZ2 4.45Å; P512-W527 HydrophobicContact CG-CZ3 3.99Å; P512-I556 HydrophobicContact CG-CG2 3.79Å
513E93.3Very high87.2Confident13 Ų1342.3 Ų42.36%0.06121%0.21CC..Hα-helixtrans-67.7-28.3179.268.8-82.1-168.500113.7A511 F517 H518 K519 R587A511-E513 HydrophobicContact CB-CG 4.44Å; A511-E513 VanDerWaalsContact CB-OE1 3.24Å; A511-E513 WeakPolarHBondContact CB-OE1 3.48Å; A511-E513 VanDerWaalsContact CB-OE2 3.25Å; A511-E513 WeakPolarHBondContact CB-OE2 3.42Å; A511-E513 PolarHBondContact O-N 2.86Å; E513-F517 HydrophobicContact CB-CD2 4.23Å; E513-F517 CarbonylContact O-C 3.57Å; E513-F517 WeakPolarHBondContact O-CA 3.39Å; E513-F517 WeakPolarHBondContact O-CB 3.32Å; E513-F517 PolarHBondContact O-N 3.05Å; E513-H518 PolarHBondContact O-N 3.05Å; E513-K519 PolarHBondContact O-N 3.04Å; E513-R587 IonicContact OE1-CZ 3.32Å; E513-R587 IonicContact OE1-NH1 3.32Å; E513-R587 PolarHBondContact OE1-NH1 3.19Å; E513-R587 IonicContact OE1-NH2 3.7Å; E513-R587 PolarHBondContact OE1-NH2 2.75Å; E513-R587 IonicContact OE2-CZ 3.1Å; E513-R587 IonicContact OE2-NH1 2.73Å; E513-R587 IonicContact OE2-NH2 3.75Å; E513-R587 PolarHBondContact OE2-NH2 3.17Å
514C91.3Very high88.9Confident2 Ų240.2 Ų40.21%0.01419%0.188CC..Hα-helixtrans-70.2-41.2173-57.60000111Y510 A511 P512 H518 K519 F520 S524Y510-C514 HydrophobicContact CD2-CB 3.92Å; Y510-C514 HydrophobicContact CG-CB 4.1Å; A511-C514 WeakPolarHBondContact O-CB 3.36Å; A511-C514 PolarHBondContact O-N 2.83Å; P512-C514 VanDerWaalsContact C-N 3.31Å; P512-C514 PolarHBondContact O-N 3.45Å; C514-H518 WeakPolarHBondContact O-CA 3.16Å; C514-H518 PolarHBondContact O-N 3.5Å; C514-H518 VanDerWaalsContact O-N 3.14Å; C514-K519 WeakPolarHBondContact CA-O 3.33Å; C514-K519 PolarHBondContact SG-O 3.28Å; C514-F520 HydrophobicContact CB-CD1 4.29Å; C514-F520 HydrophobicContact CB-CE1 3.91Å; C514-F520 HydrophobicContact CB-CZ 4.21Å; C514-S524 WeakPolarHBondContact SG-CB 3.43Å
515I85.8Confident90.5Very high29 Ų2931.7 Ų31.715%0.14915%0.151CC..Hα-helixtrans-71-45.8-178.6-59.4171.5000110.3L507 A511 P512 T553L507-I515 HydrophobicContact CD2-CG1 4.42Å; A511-I515 PolarHBondContact O-N 3.32Å; P512-I515 PolarHBondContact O-N 2.62Å; I515-T553 HydrophobicContact CG2-CG2 4.2Å
516N85.7Confident91.8Very high72 Ų7229.6 Ų29.639%0.38514%0.143SC..Hα-helixtrans-83.9-36.1-171.7-63.8-21.9000113.2P512P512-N516 WeakPolarHBondContact O-CB 3.33Å; P512-N516 VanDerWaalsContact O-CG 3.26Å; P512-N516 PolarHBondContact O-N 3.37Å; P512-N516 PolarHBondContact O-ND2 3.19Å
517F87.4Confident92.6Very high121 Ų12128.5 Ų28.553%0.53114%0.136SC..Hα-helixtrans-1250.5-169.4-50.2-63.7000113.8E513 K519E513-F517 HydrophobicContact CB-CD2 4.23Å; E513-F517 CarbonylContact O-C 3.57Å; E513-F517 WeakPolarHBondContact O-CA 3.39Å; E513-F517 WeakPolarHBondContact O-CB 3.32Å; E513-F517 PolarHBondContact O-N 3.05Å; F517-K519 HydrophobicContact CB-CD 4.29Å; F517-K519 HydrophobicContact CB-CG 3.98Å; F517-K519 PolarHBondContact O-N 3.26Å; F517-K519 VanDerWaalsContact O-N 3.17Å
518H87.6Confident93.2Very high57 Ų5725.8 Ų25.826%0.26412%0.122SC..  trans56.527.8-176.8-50.2153.7000113.3K498 A499 W505 E513 C514 F520K498-H518 WeakPolarHBondContact CA-O 3.46Å; A499-H518 HydrophobicContact CB-CB 4.2Å; A499-H518 PolarHBondContact N-O 3.23Å; W505-H518 HydrophobicContact CH2-CB 4.21Å; W505-H518 AromaticContact CH2-CD2 3.16Å; W505-H518 WeakPolarHBondContact CH2-CD2 3.45Å; W505-H518 AromaticContact CH2-CG 3.61Å; W505-H518 AromaticContact CH2-NE2 3.44Å; W505-H518 WeakPolarHBondContact CH2-NE2 3.47Å; W505-H518 AromaticContact CZ3-CD2 3.19Å; W505-H518 WeakPolarHBondContact CZ3-CD2 3.44Å; W505-H518 AromaticContact CZ3-NE2 3.41Å; W505-H518 WeakPolarHBondContact CZ3-NE2 3.29Å; E513-H518 PolarHBondContact O-N 3.05Å; C514-H518 WeakPolarHBondContact O-CA 3.16Å; C514-H518 PolarHBondContact O-N 3.5Å; C514-H518 VanDerWaalsContact O-N 3.14Å; H518-F520 WeakPolarHBondContact O-CD2 3.4Å
519K89.8Confident93.5Very high73 Ų7323.5 Ų23.532%0.31711%0.112SC..EExtended strand (participates in β ladder)trans-92.1121178.8-69.5-172.6177.7-176.60110Y496 Y497 E513 C514 F517Y496-K519 HydrophobicContact CD2-CB 4.16Å; Y496-K519 HydrophobicContact CD2-CD 4.09Å; Y496-K519 HydrophobicContact CD2-CG 3.82Å; Y496-K519 HydrophobicContact CE2-CD 4.1Å; Y496-K519 HydrophobicContact CE2-CG 3.98Å; Y497-K519 CarbonylContact O-C 3.57Å; Y497-K519 WeakPolarHBondContact O-CA 3.27Å; E513-K519 PolarHBondContact O-N 3.04Å; C514-K519 WeakPolarHBondContact CA-O 3.33Å; C514-K519 PolarHBondContact SG-O 3.28Å; F517-K519 HydrophobicContact CB-CD 4.29Å; F517-K519 HydrophobicContact CB-CG 3.98Å; F517-K519 PolarHBondContact O-N 3.26Å; F517-K519 VanDerWaalsContact O-N 3.17Å
520F91.4Very high93.7Very high1 Ų121.9 Ų21.90%0.00411%0.106CC..EExtended strand (participates in β ladder)trans-116.2132.7178.1-63.5-89.6000109.7V462 R464 Y496 Y497 A499 Y510 C514 H518V462-F520 HydrophobicContact CG1-CB 4.19Å; R464-F520 HydrophobicContact CB-CD1 4.19Å; R464-F520 HydrophobicContact CG-CB 4.02Å; R464-F520 HydrophobicContact CG-CD1 3.84Å; R464-F520 HydrophobicContact CG-CG 4.07Å; Y496-F520 CarbonylContact C-O 3.58Å; Y496-F520 VanDerWaalsContact CA-O 3.25Å; Y496-F520 WeakPolarHBondContact CA-O 3.42Å; Y496-F520 WeakPolarHBondContact CB-O 3.39Å; Y497-F520 HydrophobicContact CD1-CB 4.46Å; Y497-F520 HydrophobicContact CD1-CD2 4.08Å; Y497-F520 PolarHBondContact N-O 3.42Å; Y497-F520 PolarHBondContact O-N 3.32Å; A499-F520 HydrophobicContact CB-CE2 3.96Å; Y510-F520 HydrophobicContact CD2-CE1 4.07Å; Y510-F520 HydrophobicContact CD2-CZ 4.26Å; Y510-F520 HydrophobicContact CE1-CE1 4.19Å; Y510-F520 AromaticContact CE2-CE1 3.56Å; Y510-F520 HydrophobicContact CE2-CE1 3.56Å; Y510-F520 AromaticContact CE2-CZ 3.61Å; Y510-F520 HydrophobicContact CE2-CZ 3.61Å; Y510-F520 AromaticContact CZ-CE1 3.62Å; C514-F520 HydrophobicContact CB-CD1 4.29Å; C514-F520 HydrophobicContact CB-CE1 3.91Å; C514-F520 HydrophobicContact CB-CZ 4.21Å; H518-F520 WeakPolarHBondContact O-CD2 3.4Å
521S94.6Very high94Very high14 Ų1421.8 Ų21.810%0.09811%0.106CC..  trans-151.8171.5178.864.10000110.2N495 K523 S524 D525N495-S521 WeakPolarHBondContact O-CB 3.41Å; S521-K523 PolarHBondContact O-N 3.32Å; S521-K523 PolarHBondContact OG-N 2.9Å; S521-S524 PolarHBondContact N-OG 3.09Å; S521-S524 WeakPolarHBondContact O-CA 3.33Å; S521-S524 WeakPolarHBondContact O-CB 3.46Å; S521-S524 PolarHBondContact O-N 2.64Å; S521-S524 PolarHBondContact O-OG 3.18Å; S521-S524 PolarHBondContact OG-N 3.09Å; S521-D525 PolarHBondContact O-N 3.45Å; S521-D525 VanDerWaalsContact O-N 3.12Å
522S95.4Very high94.1Very high16 Ų1621.8 Ų21.811%0.11211%0.106CC..Hα-helixtrans-54.4-35.1172.2-470000111.7E457 S524 D525 V526 F590E457-S522 VanDerWaalsContact OE1-CB 3.32Å; E457-S522 WeakPolarHBondContact OE1-CB 3.49Å; S522-S524 VanDerWaalsContact C-N 3.33Å; S522-S524 PolarHBondContact O-N 3.28Å; S522-D525 CarbonylContact O-C 3.59Å; S522-D525 WeakPolarHBondContact O-CA 3.36Å; S522-D525 WeakPolarHBondContact O-CB 3.37Å; S522-D525 PolarHBondContact O-N 3.49Å; S522-D525 VanDerWaalsContact O-N 3.09Å; S522-V526 WeakPolarHBondContact O-CG2 3.4Å; S522-V526 PolarHBondContact O-N 2.77Å; S522-F590 WeakPolarHBondContact O-CE2 3.07Å
523K97.3Very high94.4Very high48 Ų4821.5 Ų21.521%0.20910%0.104CC..Hα-helixtrans-62.9-36.7173.6-60.7-67.3-174.4164.50112.5S521 D525 V526 W527 H584 R587 P588 D589S521-K523 PolarHBondContact O-N 3.32Å; S521-K523 PolarHBondContact OG-N 2.9Å; K523-D525 VanDerWaalsContact C-N 3.31Å; K523-V526 WeakPolarHBondContact O-CB 3.48Å; K523-V526 PolarHBondContact O-N 3.37Å; K523-W527 PolarHBondContact O-N 3.21Å; K523-H584 HydrophobicContact CB-CB 4.35Å; K523-R587 VanDerWaalsContact C-NH1 3.32Å; K523-R587 PolarHBondContact NZ-O 2.75Å; K523-R587 WeakPolarHBondContact O-CD 3.46Å; K523-R587 PolarHBondContact O-NH1 2.9Å; K523-P588 WeakPolarHBondContact CD-O 3.39Å; K523-P588 VanDerWaalsContact NZ-C 3.28Å; K523-P588 PolarHBondContact NZ-O 2.76Å; K523-D589 VanDerWaalsContact NZ-N 3.14Å
524S97.2Very high94.6Very high2 Ų222.7 Ų22.71%0.01411%0.108CC..Hα-helixtrans-69.3-30.6173.770.50000113C514 S521 S522 V526 W527 S528C514-S524 WeakPolarHBondContact SG-CB 3.43Å; S521-S524 PolarHBondContact N-OG 3.09Å; S521-S524 WeakPolarHBondContact O-CA 3.33Å; S521-S524 WeakPolarHBondContact O-CB 3.46Å; S521-S524 PolarHBondContact O-N 2.64Å; S521-S524 PolarHBondContact O-OG 3.18Å; S521-S524 PolarHBondContact OG-N 3.09Å; S522-S524 VanDerWaalsContact C-N 3.33Å; S522-S524 PolarHBondContact O-N 3.28Å; S524-V526 VanDerWaalsContact C-N 3.35Å; S524-W527 WeakPolarHBondContact O-CB 3.4Å; S524-W527 PolarHBondContact O-N 3.31Å; S524-S528 PolarHBondContact O-N 3.22Å; S524-S528 PolarHBondContact O-OG 3.09Å; S524-S528 VanDerWaalsContact O-OG 3.11Å
525D97.8Very high95Very high1 Ų123 Ų231%0.00511%0.109CC..Hα-helixtrans-70.7-31.7171.5-71-32.4000111.4M453 V462 H463 R464 S521 S522 K523 W527 S528 F529 F590M453-D525 HydrophobicContact CE-CB 3.63Å; V462-D525 VanDerWaalsContact CG1-OD2 3.25Å; V462-D525 WeakPolarHBondContact CG1-OD2 3.49Å; H463-D525 PolarHBondContact N-OD2 3.3Å; R464-D525 PolarHBondContact N-OD1 3.43Å; S521-D525 PolarHBondContact O-N 3.45Å; S521-D525 VanDerWaalsContact O-N 3.12Å; S522-D525 CarbonylContact O-C 3.59Å; S522-D525 WeakPolarHBondContact O-CA 3.36Å; S522-D525 WeakPolarHBondContact O-CB 3.37Å; S522-D525 PolarHBondContact O-N 3.49Å; S522-D525 VanDerWaalsContact O-N 3.09Å; K523-D525 VanDerWaalsContact C-N 3.31Å; D525-W527 VanDerWaalsContact C-N 3.29Å; D525-W527 PolarHBondContact O-N 3.36Å; D525-S528 CarbonylContact O-C 3.59Å; D525-S528 WeakPolarHBondContact O-CA 3.43Å; D525-S528 WeakPolarHBondContact O-CB 3.28Å; D525-S528 PolarHBondContact O-N 2.87Å; D525-S528 VanDerWaalsContact O-N 3.1Å; D525-F529 WeakPolarHBondContact O-CB 3.38Å; D525-F529 PolarHBondContact O-N 3.29Å; D525-F590 HydrophobicContact CB-CE2 3.75Å; D525-F590 HydrophobicContact CB-CZ 4Å
526V98.4Very high95.5Very high0 Ų021.7 Ų21.70%010%0.103CC..Hα-helixtrans-59.1-40.6171.4171.30000111.3S522 K523 S524 F529 G530 C579 R587 P588 F590 V593S522-V526 WeakPolarHBondContact O-CG2 3.4Å; S522-V526 PolarHBondContact O-N 2.77Å; K523-V526 WeakPolarHBondContact O-CB 3.48Å; K523-V526 PolarHBondContact O-N 3.37Å; S524-V526 VanDerWaalsContact C-N 3.35Å; V526-F529 WeakPolarHBondContact O-CB 3.43Å; V526-F529 PolarHBondContact O-N 2.85Å; V526-G530 PolarHBondContact O-N 3.08Å; V526-G530 VanDerWaalsContact O-N 3.08Å; V526-C579 HydrophobicContact CG1-CB 4.03Å; V526-C579 WeakPolarHBondContact O-CB 3.49Å; V526-R587 HydrophobicContact CB-CG 4.49Å; V526-R587 HydrophobicContact CG1-CG 3.94Å; V526-P588 HydrophobicContact CG1-CG 4.27Å; V526-F590 HydrophobicContact CB-CE2 4.45Å; V526-F590 HydrophobicContact CB-CZ 4.32Å; V526-F590 HydrophobicContact CG2-CD1 4.12Å; V526-F590 HydrophobicContact CG2-CD2 3.65Å; V526-F590 HydrophobicContact CG2-CE1 4.01Å; V526-F590 HydrophobicContact CG2-CE2 3.54Å; V526-F590 HydrophobicContact CG2-CG 3.94Å; V526-F590 HydrophobicContact CG2-CZ 3.73Å; V526-V593 HydrophobicContact CG1-CG2 4.07Å
527W98.4Very high96.1Very high0 Ų018.4 Ų18.40%09%0.085CC..Hα-helixtrans-60.6-47.3172.8-179.9-74.3000111.5W509 Y510 A511 P512 K523 S524 D525 F529 G530 V531 I556 W580W509-W527 VanDerWaalsContact O-CD1 3.28Å; Y510-W527 PolarHBondContact O-NE1 3.3Å; A511-W527 HydrophobicContact CB-CB 3.69Å; A511-W527 HydrophobicContact CB-CD2 4.06Å; A511-W527 HydrophobicContact CB-CE3 4.42Å; A511-W527 HydrophobicContact CB-CG 3.72Å; P512-W527 HydrophobicContact CG-CH2 3.95Å; P512-W527 HydrophobicContact CG-CZ2 4.45Å; P512-W527 HydrophobicContact CG-CZ3 3.99Å; K523-W527 PolarHBondContact O-N 3.21Å; S524-W527 WeakPolarHBondContact O-CB 3.4Å; S524-W527 PolarHBondContact O-N 3.31Å; D525-W527 VanDerWaalsContact C-N 3.29Å; D525-W527 PolarHBondContact O-N 3.36Å; W527-F529 VanDerWaalsContact C-N 3.25Å; W527-F529 PolarHBondContact O-N 3.14Å; W527-G530 PolarHBondContact O-N 3.17Å; W527-G530 VanDerWaalsContact O-N 3.11Å; W527-V531 PolarHBondContact O-N 3.41Å; W527-V531 VanDerWaalsContact O-N 3.14Å; W527-I556 HydrophobicContact CH2-CG2 3.65Å; W527-I556 HydrophobicContact CZ2-CD1 3.85Å; W527-I556 HydrophobicContact CZ2-CG1 4.27Å; W527-I556 HydrophobicContact CZ2-CG2 4Å; W527-W580 AromaticContact CD2-CD1 3.86Å; W527-W580 AromaticContact CE2-CD1 3.85Å; W527-W580 HydrophobicContact CE3-CB 4.22Å; W527-W580 HydrophobicContact CH2-CB 4.02Å; W527-W580 HydrophobicContact CZ2-CB 4.42Å; W527-W580 HydrophobicContact CZ2-CG 4.48Å; W527-W580 VanDerWaalsContact CZ3-C 3.46Å; W527-W580 HydrophobicContact CZ3-CB 3.93Å; W527-W580 VanDerWaalsContact CZ3-O 3.24Å; W527-W580 WeakPolarHBondContact CZ3-O 3.28Å
528S98.3Very high96.5Very high3 Ų314.1 Ų14.12%0.0217%0.07CC..Hα-helixtrans-61.2-35.3178.4-54.30000111.7W509 S524 D525 V531 T532W509-S528 WeakPolarHBondContact O-CA 3.34Å; W509-S528 PolarHBondContact O-OG 3.37Å; S524-S528 PolarHBondContact O-N 3.22Å; S524-S528 PolarHBondContact O-OG 3.09Å; S524-S528 VanDerWaalsContact O-OG 3.11Å; D525-S528 CarbonylContact O-C 3.59Å; D525-S528 WeakPolarHBondContact O-CA 3.43Å; D525-S528 WeakPolarHBondContact O-CB 3.28Å; D525-S528 PolarHBondContact O-N 2.87Å; D525-S528 VanDerWaalsContact O-N 3.1Å; S528-V531 PolarHBondContact O-N 3.1Å; S528-T532 WeakPolarHBondContact O-CB 3.5Å; S528-T532 PolarHBondContact O-N 3.4Å; S528-T532 PolarHBondContact O-OG1 3.33Å
529F98.7Very high96.9Very high0 Ų012.9 Ų12.90%06%0.063CC..Hα-helixtrans-62.6-45.3173179.2-98.5000111.2M446 V449 L466 D525 V526 W527 V531 T532 M533 F590 V593 M597M446-F529 HydrophobicContact CE-CD2 4.01Å; M446-F529 HydrophobicContact CE-CE2 3.46Å; M446-F529 VanDerWaalsContact CE-CE2 3.46Å; M446-F529 HydrophobicContact CE-CZ 3.91Å; V449-F529 HydrophobicContact CB-CE2 4.2Å; V449-F529 HydrophobicContact CG1-CD2 3.97Å; V449-F529 HydrophobicContact CG1-CE2 3.83Å; L466-F529 HydrophobicContact CD2-CB 3.7Å; L466-F529 HydrophobicContact CD2-CD2 4.2Å; L466-F529 HydrophobicContact CD2-CG 4.47Å; D525-F529 WeakPolarHBondContact O-CB 3.38Å; D525-F529 PolarHBondContact O-N 3.29Å; V526-F529 WeakPolarHBondContact O-CB 3.43Å; V526-F529 PolarHBondContact O-N 2.85Å; W527-F529 VanDerWaalsContact C-N 3.25Å; W527-F529 PolarHBondContact O-N 3.14Å; F529-V531 VanDerWaalsContact C-N 3.3Å; F529-V531 PolarHBondContact O-N 3.11Å; F529-T532 CarbonylContact O-C 3.52Å; F529-T532 WeakPolarHBondContact O-CA 3.35Å; F529-T532 WeakPolarHBondContact O-CB 3.38Å; F529-T532 PolarHBondContact O-N 2.88Å; F529-M533 HydrophobicContact CD1-CG 4Å; F529-M533 HydrophobicContact CD1-SD 3.8Å; F529-M533 HydrophobicContact CE1-CG 3.63Å; F529-M533 HydrophobicContact CE1-SD 3.27Å; F529-M533 WeakPolarHBondContact CE1-SD 3.41Å; F529-M533 HydrophobicContact CE2-CG 4.49Å; F529-M533 HydrophobicContact CZ-CG 3.89Å; F529-M533 HydrophobicContact CZ-SD 4.01Å; F529-M533 WeakPolarHBondContact O-CG 3.24Å; F529-M533 PolarHBondContact O-N 3.05Å; F529-F590 HydrophobicContact CB-CE1 3.82Å; F529-F590 HydrophobicContact CB-CZ 4.08Å; F529-F590 HydrophobicContact CD2-CE1 4.2Å; F529-F590 AromaticContact CG-CE1 3.94Å; F529-F590 HydrophobicContact CG-CE1 3.94Å; F529-V593 HydrophobicContact CD1-CG1 3.73Å; F529-V593 HydrophobicContact CE1-CG1 3.36Å; F529-V593 HydrophobicContact CZ-CG1 4.08Å; F529-M597 HydrophobicContact CE1-CG 4.47Å; F529-M597 HydrophobicContact CZ-CG 4.24Å
530G98.5Very high97.2Very high0 Ų010.5 Ų10.50%06%0.059CC..Hα-helixtrans-57.7-40.8174.200000112.8V526 W527 M533 W534 W580V526-G530 PolarHBondContact O-N 3.08Å; V526-G530 VanDerWaalsContact O-N 3.08Å; W527-G530 PolarHBondContact O-N 3.17Å; W527-G530 VanDerWaalsContact O-N 3.11Å; G530-M533 PolarHBondContact O-N 3.27Å; G530-W534 PolarHBondContact O-N 3.3Å; G530-W534 VanDerWaalsContact O-N 3.09Å; G530-W580 VanDerWaalsContact O-CZ2 3.27Å; G530-W580 WeakPolarHBondContact O-CZ2 3.39Å
531V98.5Very high97.4Very high0 Ų011.4 Ų11.40%07%0.069CC..Hα-helixtrans-65.6-41.8173.6-178.20000111.1W509 W527 S528 F529 W534 E535 P543 M562W509-V531 VanDerWaalsContact CD1-CG1 3.47Å; W509-V531 HydrophobicContact CD2-CG1 4.41Å; W509-V531 HydrophobicContact CG-CB 4.48Å; W509-V531 HydrophobicContact CG-CG1 3.98Å; W527-V531 PolarHBondContact O-N 3.41Å; W527-V531 VanDerWaalsContact O-N 3.14Å; S528-V531 PolarHBondContact O-N 3.1Å; F529-V531 VanDerWaalsContact C-N 3.3Å; F529-V531 PolarHBondContact O-N 3.11Å; V531-W534 WeakPolarHBondContact O-CB 3.14Å; V531-W534 PolarHBondContact O-N 2.95Å; V531-W534 VanDerWaalsContact O-N 3.13Å; V531-E535 PolarHBondContact O-N 3.4Å; V531-P543 HydrophobicContact CG1-CB 3.85Å; V531-P543 HydrophobicContact CG1-CG 3.64Å; V531-M562 HydrophobicContact CG1-CE 4.24Å; V531-M562 HydrophobicContact CG2-CE 4.33Å
532T98.5Very high97.4Very high0 Ų018.6 Ų18.60%010%0.098CC..Hα-helixtrans-63-41.3177.2-570000111.9M446 L466 A467 A468 V471 S528 F529 W534 E535 A536M446-T532 HydrophobicContact CE-CG2 3.95Å; M446-T532 HydrophobicContact SD-CG2 4.42Å; L466-T532 PolarHBondContact O-OG1 3.01Å; A467-T532 VanDerWaalsContact CA-OG1 3.29Å; A467-T532 WeakPolarHBondContact CA-OG1 3.39Å; A468-T532 HydrophobicContact CB-CG2 4.26Å; V471-T532 HydrophobicContact CG2-CG2 4.26Å; S528-T532 WeakPolarHBondContact O-CB 3.5Å; S528-T532 PolarHBondContact O-N 3.4Å; S528-T532 PolarHBondContact O-OG1 3.33Å; F529-T532 CarbonylContact O-C 3.52Å; F529-T532 WeakPolarHBondContact O-CA 3.35Å; F529-T532 WeakPolarHBondContact O-CB 3.38Å; F529-T532 PolarHBondContact O-N 2.88Å; T532-W534 VanDerWaalsContact C-N 3.31Å; T532-W534 PolarHBondContact O-N 2.9Å; T532-E535 WeakPolarHBondContact O-CB 3.46Å; T532-E535 PolarHBondContact O-N 3.17Å; T532-A536 PolarHBondContact O-N 3.31Å
533M98.4Very high97.4Very high0 Ų018 Ų180%09%0.094CC..Hα-helixtrans-59.4-45171.9-68.1179.874.400110.2M446 F529 G530 E535 A536 F537 M572 L575 M576 M597M446-M533 HydrophobicContact CE-CB 4.46Å; M446-M533 HydrophobicContact CE-CG 3.74Å; F529-M533 HydrophobicContact CD1-CG 4Å; F529-M533 HydrophobicContact CD1-SD 3.8Å; F529-M533 HydrophobicContact CE1-CG 3.63Å; F529-M533 HydrophobicContact CE1-SD 3.27Å; F529-M533 WeakPolarHBondContact CE1-SD 3.41Å; F529-M533 HydrophobicContact CE2-CG 4.49Å; F529-M533 HydrophobicContact CZ-CG 3.89Å; F529-M533 HydrophobicContact CZ-SD 4.01Å; F529-M533 WeakPolarHBondContact O-CG 3.24Å; F529-M533 PolarHBondContact O-N 3.05Å; G530-M533 PolarHBondContact O-N 3.27Å; M533-E535 VanDerWaalsContact C-N 3.32Å; M533-E535 PolarHBondContact O-N 2.93Å; M533-A536 WeakPolarHBondContact O-CB 3.25Å; M533-A536 PolarHBondContact O-N 3.24Å; M533-A536 VanDerWaalsContact O-N 3.07Å; M533-F537 HydrophobicContact CB-CD2 4.39Å; M533-F537 HydrophobicContact CE-CE2 3.97Å; M533-F537 VanDerWaalsContact O-CD2 3.26Å; M533-F537 WeakPolarHBondContact O-CD2 3.43Å; M533-F537 PolarHBondContact O-N 2.92Å; M533-M572 HydrophobicContact CE-CB 4.29Å; M533-M572 HydrophobicContact CE-SD 4.18Å; M533-L575 HydrophobicContact CE-CD2 4.15Å; M533-L575 HydrophobicContact CE-CG 4.47Å; M533-L575 HydrophobicContact SD-CD2 4.42Å; M533-L575 HydrophobicContact SD-CG 4.44Å; M533-M576 HydrophobicContact CB-CE 3.71Å; M533-M576 HydrophobicContact CB-CG 3.88Å; M533-M576 HydrophobicContact CB-SD 4.41Å; M533-M576 HydrophobicContact CE-CE 4.36Å; M533-M576 HydrophobicContact CE-CG 4.16Å; M533-M576 HydrophobicContact SD-CG 4.02Å; M533-M597 HydrophobicContact CE-SD 3.67Å; M533-M597 HydrophobicContact SD-SD 4.46Å
534W98.4Very high97.2Very high38 Ų3816.1 Ų16.114%0.1449%0.086CC..Hα-helixtrans-60.2-41.8177.8-171.495.7000112G530 V531 T532 A536 S538 P543 M562 E563 P565 M576 W580G530-W534 PolarHBondContact O-N 3.3Å; G530-W534 VanDerWaalsContact O-N 3.09Å; V531-W534 WeakPolarHBondContact O-CB 3.14Å; V531-W534 PolarHBondContact O-N 2.95Å; V531-W534 VanDerWaalsContact O-N 3.13Å; T532-W534 VanDerWaalsContact C-N 3.31Å; T532-W534 PolarHBondContact O-N 2.9Å; W534-A536 VanDerWaalsContact C-N 3.32Å; W534-A536 PolarHBondContact O-N 3.44Å; W534-S538 WeakPolarHBondContact O-CB 3.42Å; W534-S538 PolarHBondContact O-N 3.48Å; W534-S538 PolarHBondContact O-OG 3.4Å; W534-P543 HydrophobicContact CE3-CG 4.35Å; W534-M562 HydrophobicContact CB-CE 3.84Å; W534-M562 HydrophobicContact CD2-CE 3.98Å; W534-M562 HydrophobicContact CD2-SD 3.8Å; W534-M562 HydrophobicContact CE3-CE 4.44Å; W534-M562 HydrophobicContact CE3-SD 4.09Å; W534-M562 HydrophobicContact CG-CB 4.48Å; W534-M562 HydrophobicContact CG-CE 3.69Å; W534-M562 HydrophobicContact CG-SD 4.12Å; W534-M562 HydrophobicContact CZ2-SD 4.44Å; W534-E563 PolarHBondContact NE1-O 2.9Å; W534-P565 HydrophobicContact CD2-CG 4.49Å; W534-P565 HydrophobicContact CG-CG 4.22Å; W534-M576 HydrophobicContact CB-SD 4.24Å; W534-W580 HydrophobicContact CB-CH2 4.09Å; W534-W580 HydrophobicContact CB-CZ2 4.05Å; W534-W580 AromaticContact CD1-CH2 3.91Å; W534-W580 HydrophobicContact CG-CH2 4.26Å
535E98.2Very high96.7Very high9 Ų923.6 Ų23.64%0.04212%0.118CC..Hα-helixtrans-58.5-44.2171.9-65.9-176.996.800111.6A468 W509 V531 T532 M533 S538 Y539 G540 P543A468-E535 HydrophobicContact CB-CB 3.74Å; A468-E535 HydrophobicContact CB-CG 4.34Å; A468-E535 WeakPolarHBondContact CB-OE2 3.33Å; A468-E535 PolarHBondContact N-OE2 3.01Å; W509-E535 WeakPolarHBondContact CZ2-OE1 3.48Å; W509-E535 PolarHBondContact NE1-OE2 3.48Å; V531-E535 PolarHBondContact O-N 3.4Å; T532-E535 WeakPolarHBondContact O-CB 3.46Å; T532-E535 PolarHBondContact O-N 3.17Å; M533-E535 VanDerWaalsContact C-N 3.32Å; M533-E535 PolarHBondContact O-N 2.93Å; E535-S538 WeakPolarHBondContact CA-OG 3.44Å; E535-S538 PolarHBondContact O-N 3.41Å; E535-S538 PolarHBondContact O-OG 3.09Å; E535-S538 VanDerWaalsContact O-OG 3.05Å; E535-Y539 PolarHBondContact O-N 2.93Å; E535-G540 PolarHBondContact O-N 3.27Å; E535-P543 HydrophobicContact CG-CG 3.53Å
536A97.9Very high96.2Very high1 Ų133 Ų331%0.00816%0.158CC..Hα-helixtrans-65.1-53-178.400000111.9L426 L430 I442 M446 T532 M533 W534 S538 Y539L426-A536 HydrophobicContact CD2-CB 4.29Å; L430-A536 HydrophobicContact CD1-CB 4.02Å; L430-A536 WeakPolarHBondContact CD1-O 3.17Å; I442-A536 HydrophobicContact CG2-CB 3.83Å; M446-A536 HydrophobicContact CG-CB 4Å; M446-A536 HydrophobicContact SD-CB 3.81Å; T532-A536 PolarHBondContact O-N 3.31Å; M533-A536 WeakPolarHBondContact O-CB 3.25Å; M533-A536 PolarHBondContact O-N 3.24Å; M533-A536 VanDerWaalsContact O-N 3.07Å; W534-A536 VanDerWaalsContact C-N 3.32Å; W534-A536 PolarHBondContact O-N 3.44Å; A536-S538 PolarHBondContact O-N 3.47Å; A536-Y539 WeakPolarHBondContact O-CA 3.35Å; A536-Y539 PolarHBondContact O-N 2.94Å
537F97.4Very high95.8Very high2 Ų235.2 Ų35.21%0.00917%0.17CC..Hα-helixtrans-71.8-13.3179.8-72.8-77.9000114.1V439 I442 V443 M533 Y539 P565 C568 M572 M576V439-F537 HydrophobicContact CG1-CE1 4.06Å; I442-F537 HydrophobicContact CB-CE1 4.34Å; I442-F537 HydrophobicContact CG2-CD1 3.93Å; I442-F537 HydrophobicContact CG2-CD2 4.25Å; I442-F537 HydrophobicContact CG2-CE1 3.84Å; I442-F537 HydrophobicContact CG2-CE2 4.19Å; I442-F537 HydrophobicContact CG2-CG 4.14Å; I442-F537 HydrophobicContact CG2-CZ 3.98Å; V443-F537 HydrophobicContact CG2-CE1 3.97Å; V443-F537 HydrophobicContact CG2-CZ 3.74Å; M533-F537 HydrophobicContact CB-CD2 4.39Å; M533-F537 HydrophobicContact CE-CE2 3.97Å; M533-F537 VanDerWaalsContact O-CD2 3.26Å; M533-F537 WeakPolarHBondContact O-CD2 3.43Å; M533-F537 PolarHBondContact O-N 2.92Å; F537-Y539 VanDerWaalsContact C-N 3.34Å; F537-P565 HydrophobicContact CB-CB 4.24Å; F537-P565 HydrophobicContact CB-CG 4.13Å; F537-P565 WeakPolarHBondContact O-CB 3.44Å; F537-C568 HydrophobicContact CB-CB 3.86Å; F537-C568 HydrophobicContact CD1-CB 4.23Å; F537-C568 HydrophobicContact CG-CB 4.11Å; F537-M572 HydrophobicContact CE1-CB 4.48Å; F537-M572 HydrophobicContact CE1-CG 4.31Å; F537-M572 HydrophobicContact CE2-CB 4.01Å; F537-M572 HydrophobicContact CE2-CG 4.25Å; F537-M572 HydrophobicContact CZ-CB 3.86Å; F537-M572 HydrophobicContact CZ-CG 3.67Å; F537-M572 HydrophobicContact CZ-SD 4.25Å; F537-M576 HydrophobicContact CB-CE 4.11Å; F537-M576 HydrophobicContact CD2-CE 3.23Å; F537-M576 HydrophobicContact CE2-CE 3.91Å; F537-M576 HydrophobicContact CG-CE 3.95Å
538S96.5Very high95.2Very high31 Ų3142.7 Ų42.722%0.21720%0.202CC..THydrogen-bonded Turntrans-92.87.7168.864.30000113.4W534 E535 A536 G541W534-S538 WeakPolarHBondContact O-CB 3.42Å; W534-S538 PolarHBondContact O-N 3.48Å; W534-S538 PolarHBondContact O-OG 3.4Å; E535-S538 WeakPolarHBondContact CA-OG 3.44Å; E535-S538 PolarHBondContact O-N 3.41Å; E535-S538 PolarHBondContact O-OG 3.09Å; E535-S538 VanDerWaalsContact O-OG 3.05Å; A536-S538 PolarHBondContact O-N 3.47Å; S538-G541 PolarHBondContact O-N 2.9Å; S538-G541 VanDerWaalsContact OG-CA 3.3Å; S538-G541 WeakPolarHBondContact OG-CA 3.39Å; S538-G541 PolarHBondContact OG-N 2.88Å; S538-G541 VanDerWaalsContact OG-N 3.14Å
539Y96.4Very high94.2Very high31 Ų3143.5 Ų43.512%0.12221%0.211CC..THydrogen-bonded Turntrans57.549.4-179.1-65.2-97.5000113.4L430 S431 K434 V437 I442 E535 A536 F537 A567L430-Y539 HydrophobicContact CB-CD1 4.5Å; S431-Y539 WeakPolarHBondContact CA-O 3.37Å; S431-Y539 PolarHBondContact N-O 3.36Å; K434-Y539 HydrophobicContact CB-CD1 3.92Å; K434-Y539 HydrophobicContact CB-CE1 4.5Å; K434-Y539 HydrophobicContact CB-CG 4.29Å; K434-Y539 HydrophobicContact CD-CG 4.24Å; K434-Y539 HydrophobicContact CG-CD1 3.7Å; K434-Y539 HydrophobicContact CG-CD2 4.24Å; K434-Y539 HydrophobicContact CG-CE1 4.11Å; K434-Y539 HydrophobicContact CG-CG 3.76Å; V437-Y539 HydrophobicContact CB-CE1 4.4Å; V437-Y539 PolarHBondContact O-OH 3.47Å; I442-Y539 HydrophobicContact CD1-CD1 4.3Å; I442-Y539 HydrophobicContact CD1-CE1 3.77Å; I442-Y539 HydrophobicContact CD1-CE2 4.14Å; E535-Y539 PolarHBondContact O-N 2.93Å; A536-Y539 WeakPolarHBondContact O-CA 3.35Å; A536-Y539 PolarHBondContact O-N 2.94Å; F537-Y539 VanDerWaalsContact C-N 3.34Å; Y539-A567 HydrophobicContact CE2-CB 3.95Å
540G95.1Very high93.4Very high23 Ų2351.7 Ų51.724%0.23725%0.249CC..SBendtrans83.521.6-17900000113.8E535E535-G540 PolarHBondContact O-N 3.27Å
541G94.9Very high93Very high20 Ų2056.1 Ų56.121%0.20627%0.27CS..PPolyproline II helixtrans-61.6145.8176.200000112.1S538 P543S538-G541 PolarHBondContact O-N 2.9Å; S538-G541 VanDerWaalsContact OG-CA 3.3Å; S538-G541 WeakPolarHBondContact OG-CA 3.39Å; S538-G541 PolarHBondContact OG-N 2.88Å; S538-G541 VanDerWaalsContact OG-N 3.14Å; G541-P543 WeakPolarHBondContact O-CD 3.14Å
542K94.5Very high92.5Very high166 Ų16656.1 Ų56.172%0.72227%0.27SS*.PPolyproline II helixtrans-79120.7177.1-66.5-176.7-179.71800110.3K545K542-K545 PolarHBondContact O-N 3.26Å
543P95.4Very high91.9Very high2 Ų257.2 Ų57.21%0.01328%0.277CS..THydrogen-bonded Turntrans-57.8144178.4-26.636.2000112.4K508 W509 V531 W534 E535 G541 K545 M562K508-P543 WeakPolarHBondContact CD-O 3.35Å; K508-P543 PolarHBondContact NZ-O 3.21Å; W509-P543 HydrophobicContact CZ2-CG 3.87Å; V531-P543 HydrophobicContact CG1-CB 3.85Å; V531-P543 HydrophobicContact CG1-CG 3.64Å; W534-P543 HydrophobicContact CE3-CG 4.35Å; E535-P543 HydrophobicContact CG-CG 3.53Å; G541-P543 WeakPolarHBondContact O-CD 3.14Å; P543-K545 VanDerWaalsContact C-N 3.26Å; P543-K545 PolarHBondContact O-N 3.47Å; P543-M562 HydrophobicContact CB-CE 4.36Å; P543-M562 HydrophobicContact CB-SD 3.89Å
544Y93.8Very high91.5Very high10 Ų1059.6 Ų59.64%0.03930%0.296CS..THydrogen-bonded Turntrans46.251-179.8-52.2-83000112K508 K546 M547 V552 F555 M562K508-Y544 HydrophobicContact CB-CD2 4.18Å; K508-Y544 HydrophobicContact CG-CD2 4.46Å; K508-Y544 PolarHBondContact NZ-O 3.28Å; K508-Y544 WeakPolarHBondContact O-CE2 3.43Å; Y544-K546 PolarHBondContact O-N 2.99Å; Y544-M547 HydrophobicContact CD1-SD 4.18Å; Y544-M547 PolarHBondContact O-N 3.42Å; Y544-V552 HydrophobicContact CD1-CG1 4.16Å; Y544-V552 HydrophobicContact CD1-CG2 4.26Å; Y544-V552 HydrophobicContact CD2-CG1 3.93Å; Y544-V552 HydrophobicContact CD2-CG2 4.21Å; Y544-V552 HydrophobicContact CE1-CG1 4.22Å; Y544-V552 HydrophobicContact CE2-CG1 4Å; Y544-V552 HydrophobicContact CG-CG1 4.01Å; Y544-V552 HydrophobicContact CG-CG2 3.77Å; Y544-F555 HydrophobicContact CD1-CD1 4.26Å; Y544-F555 HydrophobicContact CD1-CE1 4.32Å; Y544-F555 HydrophobicContact CE1-CD1 4.04Å; Y544-F555 HydrophobicContact CE1-CE1 4.03Å; Y544-M562 HydrophobicContact CD1-CG 3.67Å; Y544-M562 HydrophobicContact CD1-SD 4.13Å; Y544-M562 HydrophobicContact CD2-CG 4.47Å; Y544-M562 HydrophobicContact CD2-SD 3.9Å; Y544-M562 HydrophobicContact CE1-CG 3.39Å; Y544-M562 HydrophobicContact CE1-SD 4.06Å; Y544-M562 HydrophobicContact CE2-CE 3.98Å; Y544-M562 HydrophobicContact CE2-CG 4.23Å; Y544-M562 HydrophobicContact CE2-SD 3.81Å; Y544-M562 HydrophobicContact CG-CG 4.21Å; Y544-M562 HydrophobicContact CG-SD 4.05Å
545K86.6Confident91.3Very high159 Ų15961.3 Ų61.369%0.69131%0.305SS*.THydrogen-bonded Turntrans-53.6134.3-178.3-168.4179.2178178.90108.7K542 P543 M547K542-K545 PolarHBondContact O-N 3.26Å; P543-K545 VanDerWaalsContact C-N 3.26Å; P543-K545 PolarHBondContact O-N 3.47Å; K545-M547 VanDerWaalsContact C-N 3.31Å; K545-M547 PolarHBondContact O-N 3.2Å
546K87.8Confident91Very high197 Ų19761 Ų6186%0.85730%0.304SS*.THydrogen-bonded Turntrans77.3-4.8-175.7-47.8175.1-179.8177.30116.7Y544Y544-K546 PolarHBondContact O-N 2.99Å
547M89Confident90.7Very high48 Ų4864.7 Ų64.724%0.23632%0.323CS..  trans-101.3139.1176.9-58.1171.174.800112.1K508 Y544 K545 E551 V552 F555K508-M547 WeakPolarHBondContact CE-O 3.36Å; K508-M547 PolarHBondContact NZ-O 3.45Å; Y544-M547 HydrophobicContact CD1-SD 4.18Å; Y544-M547 PolarHBondContact O-N 3.42Å; K545-M547 VanDerWaalsContact C-N 3.31Å; K545-M547 PolarHBondContact O-N 3.2Å; M547-E551 VanDerWaalsContact CA-OE2 3.24Å; M547-E551 WeakPolarHBondContact CA-OE2 3.43Å; M547-E551 HydrophobicContact CB-CB 4.27Å; M547-E551 HydrophobicContact CE-CB 4.24Å; M547-E551 VanDerWaalsContact CE-O 3.28Å; M547-E551 WeakPolarHBondContact CE-O 3.19Å; M547-V552 HydrophobicContact CB-CG2 3.65Å; M547-V552 HydrophobicContact CE-CG2 4.27Å; M547-V552 HydrophobicContact SD-CG2 4.45Å; M547-F555 HydrophobicContact CE-CB 3.35Å; M547-F555 HydrophobicContact CE-CD1 4.11Å; M547-F555 HydrophobicContact CE-CD2 4.32Å; M547-F555 HydrophobicContact CE-CG 3.7Å
548K85.8Confident90.5Very high157 Ų15771.2 Ų71.268%0.68336%0.358SS*.  trans-84.8166.4168.6-66.1-179.5-178.61750111Q550 E551 V552K548-Q550 PolarHBondContact O-N 3.25Å; K548-E551 PolarHBondContact N-OE2 3.02Å; K548-E551 WeakPolarHBondContact O-CB 3.23Å; K548-E551 PolarHBondContact O-N 2.96Å; K548-E551 VanDerWaalsContact O-N 3.12Å; K548-V552 WeakPolarHBondContact O-CG2 3.45Å; K548-V552 PolarHBondContact O-N 3Å
549G78.3Confident90.2Very high20 Ų2072.2 Ų72.221%0.20637%0.373CS..Hα-helixtrans-52.7-48-17400000114.6E551 V552 T553G549-E551 PolarHBondContact O-N 3.39Å; G549-V552 WeakPolarHBondContact O-CB 3.21Å; G549-V552 PolarHBondContact O-N 2.78Å; G549-T553 PolarHBondContact O-N 3.18Å; G549-T553 VanDerWaalsContact O-N 3.12Å; G549-T553 PolarHBondContact O-OG1 2.89Å
550Q81.5Confident90.1Very high172 Ų17271.6 Ų71.680%0.80438%0.376SS*.Hα-helixtrans-66.1-37.3179.2-69.6177.7-2800113K548 V552 T553 A554K548-Q550 PolarHBondContact O-N 3.25Å; Q550-V552 VanDerWaalsContact C-N 3.31Å; Q550-V552 PolarHBondContact O-N 2.88Å; Q550-T553 PolarHBondContact O-N 2.92Å; Q550-A554 PolarHBondContact O-N 2.73Å
551E89.6Confident90.1Very high93 Ų9372.1 Ų72.144%0.43537%0.371SS..Hα-helixtrans-65.5-37.4176.2-63.3164.4-175.500110.9M547 K548 G549 A554 F555M547-E551 VanDerWaalsContact CA-OE2 3.24Å; M547-E551 WeakPolarHBondContact CA-OE2 3.43Å; M547-E551 HydrophobicContact CB-CB 4.27Å; M547-E551 HydrophobicContact CE-CB 4.24Å; M547-E551 VanDerWaalsContact CE-O 3.28Å; M547-E551 WeakPolarHBondContact CE-O 3.19Å; K548-E551 PolarHBondContact N-OE2 3.02Å; K548-E551 WeakPolarHBondContact O-CB 3.23Å; K548-E551 PolarHBondContact O-N 2.96Å; K548-E551 VanDerWaalsContact O-N 3.12Å; G549-E551 PolarHBondContact O-N 3.39Å; E551-A554 PolarHBondContact O-N 2.89Å; E551-F555 VanDerWaalsContact O-CB 3.31Å; E551-F555 WeakPolarHBondContact O-CB 3.25Å; E551-F555 PolarHBondContact O-N 3.02Å
552V88.4Confident90.2Very high0 Ų071.7 Ų71.70%036%0.364CS..Hα-helixtrans-63.2-44.8174.8173.40000110.8K508 Y544 M547 K548 G549 Q550 A554 F555 I556K508-V552 HydrophobicContact CG-CG2 4.45Å; Y544-V552 HydrophobicContact CD1-CG1 4.16Å; Y544-V552 HydrophobicContact CD1-CG2 4.26Å; Y544-V552 HydrophobicContact CD2-CG1 3.93Å; Y544-V552 HydrophobicContact CD2-CG2 4.21Å; Y544-V552 HydrophobicContact CE1-CG1 4.22Å; Y544-V552 HydrophobicContact CE2-CG1 4Å; Y544-V552 HydrophobicContact CG-CG1 4.01Å; Y544-V552 HydrophobicContact CG-CG2 3.77Å; M547-V552 HydrophobicContact CB-CG2 3.65Å; M547-V552 HydrophobicContact CE-CG2 4.27Å; M547-V552 HydrophobicContact SD-CG2 4.45Å; K548-V552 WeakPolarHBondContact O-CG2 3.45Å; K548-V552 PolarHBondContact O-N 3Å; G549-V552 WeakPolarHBondContact O-CB 3.21Å; G549-V552 PolarHBondContact O-N 2.78Å; Q550-V552 VanDerWaalsContact C-N 3.31Å; Q550-V552 PolarHBondContact O-N 2.88Å; V552-A554 PolarHBondContact O-N 3.22Å; V552-F555 PolarHBondContact O-N 2.94Å; V552-I556 HydrophobicContact CG1-CD1 3.58Å; V552-I556 HydrophobicContact CG1-CG1 4.39Å; V552-I556 WeakPolarHBondContact O-CD1 3.49Å; V552-I556 VanDerWaalsContact O-CG1 3.3Å; V552-I556 WeakPolarHBondContact O-CG1 3.32Å; V552-I556 PolarHBondContact O-N 3.17Å
553T86.1Confident90.3Very high23 Ų2371.7 Ų71.714%0.14137%0.366CS..Hα-helixtrans-59.6-47.9176.5-52.50000111.7I515 G549 Q550 F555 I556 N557I515-T553 HydrophobicContact CG2-CG2 4.2Å; G549-T553 PolarHBondContact O-N 3.18Å; G549-T553 VanDerWaalsContact O-N 3.12Å; G549-T553 PolarHBondContact O-OG1 2.89Å; Q550-T553 PolarHBondContact O-N 2.92Å; T553-F555 PolarHBondContact O-N 2.87Å; T553-I556 PolarHBondContact O-N 3.27Å; T553-N557 WeakPolarHBondContact O-CB 3.49Å; T553-N557 VanDerWaalsContact O-CG 3.23Å; T553-N557 PolarHBondContact O-N 3.22Å; T553-N557 PolarHBondContact O-ND2 3.02Å
554A90.6Very high90.3Very high50 Ų5076.7 Ų76.741%0.41339%0.385SS..Hα-helixtrans-61.4-44.3178.200000112.1Q550 E551 V552 I556 N557 N558Q550-A554 PolarHBondContact O-N 2.73Å; E551-A554 PolarHBondContact O-N 2.89Å; V552-A554 PolarHBondContact O-N 3.22Å; A554-I556 PolarHBondContact O-N 2.94Å; A554-N557 PolarHBondContact O-N 3.36Å; A554-N558 VanDerWaalsContact O-CG 3.27Å; A554-N558 PolarHBondContact O-N 2.92Å; A554-N558 PolarHBondContact O-ND2 3.28Å
555F93.4Very high90.5Very high74 Ų7476.4 Ų76.433%0.32538%0.384SS..Hα-helixtrans-60.3-44.4176.9174.9-107000112.7Y544 M547 E551 V552 T553 N558 G560 R561Y544-F555 HydrophobicContact CD1-CD1 4.26Å; Y544-F555 HydrophobicContact CD1-CE1 4.32Å; Y544-F555 HydrophobicContact CE1-CD1 4.04Å; Y544-F555 HydrophobicContact CE1-CE1 4.03Å; M547-F555 HydrophobicContact CE-CB 3.35Å; M547-F555 HydrophobicContact CE-CD1 4.11Å; M547-F555 HydrophobicContact CE-CD2 4.32Å; M547-F555 HydrophobicContact CE-CG 3.7Å; E551-F555 VanDerWaalsContact O-CB 3.31Å; E551-F555 WeakPolarHBondContact O-CB 3.25Å; E551-F555 PolarHBondContact O-N 3.02Å; V552-F555 PolarHBondContact O-N 2.94Å; T553-F555 PolarHBondContact O-N 2.87Å; F555-N558 PolarHBondContact O-N 2.97Å; F555-G560 VanDerWaalsContact O-CA 3.29Å; F555-G560 WeakPolarHBondContact O-CA 3.42Å; F555-G560 PolarHBondContact O-N 3.11Å; F555-R561 WeakPolarHBondContact CZ-O 3.42Å
556I93.3Very high90.7Very high3 Ų375.1 Ų75.12%0.01539%0.392CS..Hα-helixtrans-66.2-41.8179.1-70.5163.5000111.5P512 W527 V552 T553 A554 N558 G559 R561P512-I556 HydrophobicContact CG-CG2 3.79Å; W527-I556 HydrophobicContact CH2-CG2 3.65Å; W527-I556 HydrophobicContact CZ2-CD1 3.85Å; W527-I556 HydrophobicContact CZ2-CG1 4.27Å; W527-I556 HydrophobicContact CZ2-CG2 4Å; V552-I556 HydrophobicContact CG1-CD1 3.58Å; V552-I556 HydrophobicContact CG1-CG1 4.39Å; V552-I556 WeakPolarHBondContact O-CD1 3.49Å; V552-I556 VanDerWaalsContact O-CG1 3.3Å; V552-I556 WeakPolarHBondContact O-CG1 3.32Å; V552-I556 PolarHBondContact O-N 3.17Å; T553-I556 PolarHBondContact O-N 3.27Å; A554-I556 PolarHBondContact O-N 2.94Å; I556-N558 VanDerWaalsContact C-N 3.26Å; I556-N558 PolarHBondContact O-N 3.12Å; I556-G559 PolarHBondContact O-N 3.09Å; I556-R561 PolarHBondContact O-NH1 3.4Å; I556-R561 VanDerWaalsContact O-NH1 3.09Å
557N89.8Confident90.6Very high77 Ų7767.8 Ų67.841%0.41237%0.368SS..Hα-helixtrans-65.1-31.2178.4-71.6-12.6000112T553 A554 G559T553-N557 WeakPolarHBondContact O-CB 3.49Å; T553-N557 VanDerWaalsContact O-CG 3.23Å; T553-N557 PolarHBondContact O-N 3.22Å; T553-N557 PolarHBondContact O-ND2 3.02Å; A554-N557 PolarHBondContact O-N 3.36Å; N557-G559 PolarHBondContact O-N 2.74Å
558N93.1Very high90.8Very high140 Ų14065.6 Ų65.675%0.74936%0.357SS*.THydrogen-bonded Turntrans-79.812.8173.1-66.5-15000113.4A554 F555 I556 G560A554-N558 VanDerWaalsContact O-CG 3.27Å; A554-N558 PolarHBondContact O-N 2.92Å; A554-N558 PolarHBondContact O-ND2 3.28Å; F555-N558 PolarHBondContact O-N 2.97Å; I556-N558 VanDerWaalsContact C-N 3.26Å; I556-N558 PolarHBondContact O-N 3.12Å; N558-G560 VanDerWaalsContact C-N 3.27Å; N558-G560 PolarHBondContact O-N 3.32Å
559G91.1Very high91.1Very high52 Ų5259.3 Ų59.354%0.53633%0.333SS..THydrogen-bonded Turntrans80.70.3-179.900000114.8I556 N557I556-G559 PolarHBondContact O-N 3.09Å; N557-G559 PolarHBondContact O-N 2.74Å
560G93.9Very high91.5Very high17 Ų1763.5 Ų63.518%0.17535%0.347CS..  trans-64.4140.417800000112.6F555 N558F555-G560 VanDerWaalsContact O-CA 3.29Å; F555-G560 WeakPolarHBondContact O-CA 3.42Å; F555-G560 PolarHBondContact O-N 3.11Å; N558-G560 VanDerWaalsContact C-N 3.27Å; N558-G560 PolarHBondContact O-N 3.32Å
561R95.6Very high91.7Very high34 Ų3460.4 Ų60.413%0.12833%0.328CS..  trans-136.3156.7174.4-64.1-62.8-179.3-85.11.6109.7F555 I556 W580F555-R561 WeakPolarHBondContact CZ-O 3.42Å; I556-R561 PolarHBondContact O-NH1 3.4Å; I556-R561 VanDerWaalsContact O-NH1 3.09Å; R561-W580 HydrophobicContact CB-CE3 4.16Å; R561-W580 HydrophobicContact CG-CE3 4.43Å; R561-W580 PolarHBondContact NE-O 3.31Å; R561-W580 PolarHBondContact NH2-O 2.9Å
562M96.4Very high91.8Very high11 Ų1156 Ų565%0.05431%0.307CS..PPolyproline II helixtrans-63.5145.6176.7-65.5-173.9-71.100110.5V531 W534 P543 Y544 Y573 W580V531-M562 HydrophobicContact CG1-CE 4.24Å; V531-M562 HydrophobicContact CG2-CE 4.33Å; W534-M562 HydrophobicContact CB-CE 3.84Å; W534-M562 HydrophobicContact CD2-CE 3.98Å; W534-M562 HydrophobicContact CD2-SD 3.8Å; W534-M562 HydrophobicContact CE3-CE 4.44Å; W534-M562 HydrophobicContact CE3-SD 4.09Å; W534-M562 HydrophobicContact CG-CB 4.48Å; W534-M562 HydrophobicContact CG-CE 3.69Å; W534-M562 HydrophobicContact CG-SD 4.12Å; W534-M562 HydrophobicContact CZ2-SD 4.44Å; P543-M562 HydrophobicContact CB-CE 4.36Å; P543-M562 HydrophobicContact CB-SD 3.89Å; Y544-M562 HydrophobicContact CD1-CG 3.67Å; Y544-M562 HydrophobicContact CD1-SD 4.13Å; Y544-M562 HydrophobicContact CD2-CG 4.47Å; Y544-M562 HydrophobicContact CD2-SD 3.9Å; Y544-M562 HydrophobicContact CE1-CG 3.39Å; Y544-M562 HydrophobicContact CE1-SD 4.06Å; Y544-M562 HydrophobicContact CE2-CE 3.98Å; Y544-M562 HydrophobicContact CE2-CG 4.23Å; Y544-M562 HydrophobicContact CE2-SD 3.81Å; Y544-M562 HydrophobicContact CG-CG 4.21Å; Y544-M562 HydrophobicContact CG-SD 4.05Å; M562-Y573 PolarHBondContact O-OH 3.12Å; M562-W580 HydrophobicContact CB-CH2 4.1Å; M562-W580 HydrophobicContact CB-CZ3 4.34Å; M562-W580 HydrophobicContact CE-CH2 3.68Å; M562-W580 HydrophobicContact CE-CZ2 3.39Å
563E96.3Very high92.2Very high166 Ų16657.4 Ų57.478%0.77631%0.313SS*.PPolyproline II helixtrans-69156.4177.2-63.4178.7169.600112W534 P565W534-E563 PolarHBondContact NE1-O 2.9Å; E563-P565 WeakPolarHBondContact O-CD 3.39Å
564R97.2Very high92.5Very high107 Ų10758.8 Ų58.840%0.40432%0.321SS..PPolyproline II helixtrans-63.9124.5176.3-176.116468.470.44.9110.3C568 E570 Y573R564-C568 HydrophobicContact CG-CB 3.92Å; R564-C568 PolarHBondContact NH1-O 3.4Å; R564-E570 WeakPolarHBondContact CD-OE2 3.49Å; R564-E570 IonicContact CZ-OE2 2.68Å; R564-E570 IonicContact NE-OE2 3.73Å; R564-E570 PolarHBondContact NE-OE2 3.28Å; R564-E570 IonicContact NH2-OE2 2.62Å; R564-Y573 HydrophobicContact CB-CD1 3.8Å; R564-Y573 HydrophobicContact CB-CD2 3.69Å; R564-Y573 HydrophobicContact CB-CE1 3.95Å; R564-Y573 HydrophobicContact CB-CE2 3.86Å; R564-Y573 HydrophobicContact CB-CG 3.65Å; R564-Y573 VanDerWaalsContact CD-CB 3.42Å; R564-Y573 HydrophobicContact CG-CD1 4.09Å; R564-Y573 HydrophobicContact CG-CD2 3.94Å; R564-Y573 HydrophobicContact CG-CG 3.64Å
565P96.3Very high92.6Very high4 Ų456.5 Ų56.53%0.02630%0.302CS..PPolyproline II helixtrans-58.8144.5172.6-2332.9000111.2W534 F537 E563 A567 C568W534-P565 HydrophobicContact CD2-CG 4.49Å; W534-P565 HydrophobicContact CG-CG 4.22Å; F537-P565 HydrophobicContact CB-CB 4.24Å; F537-P565 HydrophobicContact CB-CG 4.13Å; F537-P565 WeakPolarHBondContact O-CB 3.44Å; E563-P565 WeakPolarHBondContact O-CD 3.39Å; P565-A567 VanDerWaalsContact C-N 3.3Å; P565-A567 PolarHBondContact O-N 2.72Å; P565-A567 VanDerWaalsContact O-N 3.16Å; P565-C568 HydrophobicContact CB-CB 3.96Å; P565-C568 HydrophobicContact CG-CB 4.14Å; P565-C568 VanDerWaalsContact O-CB 3.23Å; P565-C568 WeakPolarHBondContact O-CB 3.28Å; P565-C568 PolarHBondContact O-N 3.39Å
566P91.1Very high92.9Very high133 Ų13353 Ų5386%0.86429%0.286SS*.THydrogen-bonded Turntrans-55.4-38.6-173.1-29.735.5000115.2
567A86.6Confident93Very high42 Ų4258.5 Ų58.535%0.34731%0.307SS..THydrogen-bonded Turntrans-87.2-4.3179.800000113.8V439 Y539 P565 P569V439-A567 HydrophobicContact CG2-CB 4.32Å; V439-A567 WeakPolarHBondContact CG2-O 3.19Å; Y539-A567 HydrophobicContact CE2-CB 3.95Å; P565-A567 VanDerWaalsContact C-N 3.3Å; P565-A567 PolarHBondContact O-N 2.72Å; P565-A567 VanDerWaalsContact O-N 3.16Å; A567-P569 WeakPolarHBondContact O-CD 3.43Å
568C93.3Very high93.3Very high2 Ų258.3 Ų58.31%0.01430%0.304CS..  trans-76.8123.8-176-174.20000110.4F537 R564 P565 M576F537-C568 HydrophobicContact CB-CB 3.86Å; F537-C568 HydrophobicContact CD1-CB 4.23Å; F537-C568 HydrophobicContact CG-CB 4.11Å; R564-C568 HydrophobicContact CG-CB 3.92Å; R564-C568 PolarHBondContact NH1-O 3.4Å; P565-C568 HydrophobicContact CB-CB 3.96Å; P565-C568 HydrophobicContact CG-CB 4.14Å; P565-C568 VanDerWaalsContact O-CB 3.23Å; P565-C568 WeakPolarHBondContact O-CB 3.28Å; P565-C568 PolarHBondContact O-N 3.39Å; C568-M576 WeakPolarHBondContact SG-CE 3.41Å
569P90.6Very high93.5Very high25 Ų2551.6 Ų51.616%0.16227%0.268CS..  trans-60.1145.9171.5-22.834.2000112V439 A567 R571 M572 Y573 Y600V439-P569 HydrophobicContact CG1-CG 3.59Å; A567-P569 WeakPolarHBondContact O-CD 3.43Å; P569-R571 VanDerWaalsContact C-N 3.25Å; P569-R571 PolarHBondContact O-N 2.98Å; P569-M572 HydrophobicContact CB-CG 4.3Å; P569-M572 HydrophobicContact CG-CG 4.31Å; P569-M572 PolarHBondContact O-N 3.42Å; P569-Y573 PolarHBondContact O-N 2.89Å; P569-Y573 VanDerWaalsContact O-N 3.08Å; P569-Y600 HydrophobicContact CB-CE1 4.23Å; P569-Y600 WeakPolarHBondContact CB-OH 3.46Å; P569-Y600 HydrophobicContact CG-CE1 4.12Å; P569-Y600 VanDerWaalsContact CG-OH 3.24Å; P569-Y600 WeakPolarHBondContact CG-OH 3.4Å
570E87.4Confident93.9Very high109 Ų10949.2 Ų49.251%0.50924%0.243SC..Hα-helixtrans-56-42.3-178.6-168.260.9-149.900111.6R564 M572 Y573 T574R564-E570 WeakPolarHBondContact CD-OE2 3.49Å; R564-E570 IonicContact CZ-OE2 2.68Å; R564-E570 IonicContact NE-OE2 3.73Å; R564-E570 PolarHBondContact NE-OE2 3.28Å; R564-E570 IonicContact NH2-OE2 2.62Å; E570-M572 VanDerWaalsContact C-N 3.31Å; E570-M572 PolarHBondContact O-N 3.08Å; E570-Y573 PolarHBondContact O-N 3.41Å; E570-Y573 VanDerWaalsContact O-N 3.11Å; E570-T574 PolarHBondContact O-N 2.99Å; E570-T574 PolarHBondContact O-OG1 3.4Å
571R84.9Confident94Very high107 Ų10750.4 Ų50.440%0.40425%0.247SC..Hα-helixtrans-57.4-41.4177.6-17562.7-180159.57.7112.9P569 T574 L575 S596 Y600P569-R571 VanDerWaalsContact C-N 3.25Å; P569-R571 PolarHBondContact O-N 2.98Å; R571-T574 PolarHBondContact O-N 2.85Å; R571-L575 PolarHBondContact O-N 2.94Å; R571-L575 VanDerWaalsContact O-N 3.15Å; R571-S596 PolarHBondContact NH2-OG 3.13Å; R571-Y600 HydrophobicContact CB-CD2 3.99Å; R571-Y600 HydrophobicContact CB-CE2 3.9Å; R571-Y600 HydrophobicContact CG-CD2 3.72Å; R571-Y600 HydrophobicContact CG-CE2 4.18Å; R571-Y600 HydrophobicContact CG-CG 4.22Å
572M92.7Very high93.9Very high0 Ų053.1 Ų53.10%026%0.261CS..Hα-helixtrans-71.7-35.1178.6-64.8-64.490.400111.7V443 M533 F537 P569 E570 L575 M576 M597 Y600V443-M572 HydrophobicContact CG2-CG 4.34Å; V443-M572 HydrophobicContact CG2-SD 4.32Å; M533-M572 HydrophobicContact CE-CB 4.29Å; M533-M572 HydrophobicContact CE-SD 4.18Å; F537-M572 HydrophobicContact CE1-CB 4.48Å; F537-M572 HydrophobicContact CE1-CG 4.31Å; F537-M572 HydrophobicContact CE2-CB 4.01Å; F537-M572 HydrophobicContact CE2-CG 4.25Å; F537-M572 HydrophobicContact CZ-CB 3.86Å; F537-M572 HydrophobicContact CZ-CG 3.67Å; F537-M572 HydrophobicContact CZ-SD 4.25Å; P569-M572 HydrophobicContact CB-CG 4.3Å; P569-M572 HydrophobicContact CG-CG 4.31Å; P569-M572 PolarHBondContact O-N 3.42Å; E570-M572 VanDerWaalsContact C-N 3.31Å; E570-M572 PolarHBondContact O-N 3.08Å; M572-L575 PolarHBondContact O-N 3.36Å; M572-M576 WeakPolarHBondContact O-CG 3.28Å; M572-M576 PolarHBondContact O-N 3.11Å; M572-M597 HydrophobicContact CE-SD 4.32Å; M572-M597 HydrophobicContact SD-CE 4.18Å; M572-M597 HydrophobicContact SD-SD 3.7Å; M572-M597 VanDerWaalsContact SD-SD 3.7Å; M572-Y600 VanDerWaalsContact CE-CB 3.49Å; M572-Y600 HydrophobicContact CE-CD1 3.28Å; M572-Y600 HydrophobicContact CE-CD2 4.25Å; M572-Y600 HydrophobicContact CE-CE1 4.06Å; M572-Y600 HydrophobicContact CE-CG 3.39Å; M572-Y600 HydrophobicContact CG-CD1 3.78Å; M572-Y600 HydrophobicContact CG-CE1 3.62Å; M572-Y600 HydrophobicContact SD-CD1 3.49Å; M572-Y600 WeakPolarHBondContact SD-CD1 3.46Å; M572-Y600 HydrophobicContact SD-CE1 3.99Å; M572-Y600 HydrophobicContact SD-CG 4.24Å
573Y97Very high93.8Very high30 Ų3054.7 Ų54.712%0.11827%0.273CS..Hα-helixtrans-69.3-37.8173.4-177.9-114.9000112.7M562 R564 P569 E570 L575 M576 R577 W580M562-Y573 PolarHBondContact O-OH 3.12Å; R564-Y573 HydrophobicContact CB-CD1 3.8Å; R564-Y573 HydrophobicContact CB-CD2 3.69Å; R564-Y573 HydrophobicContact CB-CE1 3.95Å; R564-Y573 HydrophobicContact CB-CE2 3.86Å; R564-Y573 HydrophobicContact CB-CG 3.65Å; R564-Y573 VanDerWaalsContact CD-CB 3.42Å; R564-Y573 HydrophobicContact CG-CD1 4.09Å; R564-Y573 HydrophobicContact CG-CD2 3.94Å; R564-Y573 HydrophobicContact CG-CG 3.64Å; P569-Y573 PolarHBondContact O-N 2.89Å; P569-Y573 VanDerWaalsContact O-N 3.08Å; E570-Y573 PolarHBondContact O-N 3.41Å; E570-Y573 VanDerWaalsContact O-N 3.11Å; Y573-L575 VanDerWaalsContact C-N 3.3Å; Y573-L575 PolarHBondContact O-N 2.67Å; Y573-M576 HydrophobicContact CD2-SD 4.03Å; Y573-M576 WeakPolarHBondContact O-CB 3.31Å; Y573-M576 PolarHBondContact O-N 3.28Å; Y573-M576 VanDerWaalsContact O-N 3.16Å; Y573-R577 HydrophobicContact CD1-CG 4.3Å; Y573-R577 HydrophobicContact CE1-CG 3.97Å; Y573-R577 HydrophobicContact CE2-CG 4.26Å; Y573-R577 VanDerWaalsContact O-CG 3.32Å; Y573-R577 WeakPolarHBondContact O-CG 3.49Å; Y573-R577 PolarHBondContact O-N 3.29Å; Y573-W580 HydrophobicContact CE2-CZ3 4.29Å
574T92.8Very high93.6Very high51 Ų5150.3 Ų50.331%0.31325%0.252SS..Hα-helixtrans-57-46170.9-59.30000110.8E570 R571 M576 R577 E578E570-T574 PolarHBondContact O-N 2.99Å; E570-T574 PolarHBondContact O-OG1 3.4Å; R571-T574 PolarHBondContact O-N 2.85Å; T574-M576 PolarHBondContact O-N 2.81Å; T574-R577 WeakPolarHBondContact O-CB 3.3Å; T574-R577 PolarHBondContact O-N 3.5Å; T574-R577 VanDerWaalsContact O-N 3.09Å; T574-E578 WeakPolarHBondContact O-CG 3.24Å; T574-E578 PolarHBondContact O-N 3.46Å
575L92.8Very high93.4Very high2 Ų252.5 Ų52.51%0.0127%0.267CS..Hα-helixtrans-62.3-40.2175.2-178.259.1000112.5M533 R571 M572 Y573 R577 E578 C579 V593 M597M533-L575 HydrophobicContact CE-CD2 4.15Å; M533-L575 HydrophobicContact CE-CG 4.47Å; M533-L575 HydrophobicContact SD-CD2 4.42Å; M533-L575 HydrophobicContact SD-CG 4.44Å; R571-L575 PolarHBondContact O-N 2.94Å; R571-L575 VanDerWaalsContact O-N 3.15Å; M572-L575 PolarHBondContact O-N 3.36Å; Y573-L575 VanDerWaalsContact C-N 3.3Å; Y573-L575 PolarHBondContact O-N 2.67Å; L575-R577 VanDerWaalsContact C-N 3.29Å; L575-R577 PolarHBondContact O-N 2.97Å; L575-E578 WeakPolarHBondContact O-CB 3.33Å; L575-E578 PolarHBondContact O-N 3.47Å; L575-C579 PolarHBondContact O-N 3.35Å; L575-C579 PolarHBondContact O-SG 3.09Å; L575-V593 HydrophobicContact CD1-CG2 4.41Å; L575-V593 HydrophobicContact CD2-CG1 4.49Å; L575-M597 HydrophobicContact CD2-CG 3.7Å; L575-M597 HydrophobicContact CD2-SD 3.53Å; L575-M597 VanDerWaalsContact CD2-SD 3.53Å
576M98.1Very high93.2Very high0 Ų058 Ų580%030%0.296CS..Hα-helixtrans-58.7-42172.2-66.8171.6-164.700111.6M533 W534 F537 C568 M572 Y573 T574 C579 W580M533-M576 HydrophobicContact CB-CE 3.71Å; M533-M576 HydrophobicContact CB-CG 3.88Å; M533-M576 HydrophobicContact CB-SD 4.41Å; M533-M576 HydrophobicContact CE-CE 4.36Å; M533-M576 HydrophobicContact CE-CG 4.16Å; M533-M576 HydrophobicContact SD-CG 4.02Å; W534-M576 HydrophobicContact CB-SD 4.24Å; F537-M576 HydrophobicContact CB-CE 4.11Å; F537-M576 HydrophobicContact CD2-CE 3.23Å; F537-M576 HydrophobicContact CE2-CE 3.91Å; F537-M576 HydrophobicContact CG-CE 3.95Å; C568-M576 WeakPolarHBondContact SG-CE 3.41Å; M572-M576 WeakPolarHBondContact O-CG 3.28Å; M572-M576 PolarHBondContact O-N 3.11Å; Y573-M576 HydrophobicContact CD2-SD 4.03Å; Y573-M576 WeakPolarHBondContact O-CB 3.31Å; Y573-M576 PolarHBondContact O-N 3.28Å; Y573-M576 VanDerWaalsContact O-N 3.16Å; T574-M576 PolarHBondContact O-N 2.81Å; M576-C579 WeakPolarHBondContact O-CB 3.29Å; M576-C579 PolarHBondContact O-N 3.36Å; M576-W580 HydrophobicContact CB-CE3 4.4Å; M576-W580 HydrophobicContact CB-CH2 3.96Å; M576-W580 HydrophobicContact CB-CZ2 4.24Å; M576-W580 HydrophobicContact CB-CZ3 4.06Å; M576-W580 VanDerWaalsContact O-CD2 3.24Å; M576-W580 VanDerWaalsContact O-CG 3.3Å; M576-W580 PolarHBondContact O-N 3.36Å; M576-W580 HydrophobicContact SD-CH2 4.3Å
577R97.1Very high93.5Very high119 Ų11951.8 Ų51.845%0.44926%0.256SS..Hα-helixtrans-65.7-39.9178.4-70.3-72.6-62.7-129-3.2112Y573 T574 L575 W580 T581Y573-R577 HydrophobicContact CD1-CG 4.3Å; Y573-R577 HydrophobicContact CE1-CG 3.97Å; Y573-R577 HydrophobicContact CE2-CG 4.26Å; Y573-R577 VanDerWaalsContact O-CG 3.32Å; Y573-R577 WeakPolarHBondContact O-CG 3.49Å; Y573-R577 PolarHBondContact O-N 3.29Å; T574-R577 WeakPolarHBondContact O-CB 3.3Å; T574-R577 PolarHBondContact O-N 3.5Å; T574-R577 VanDerWaalsContact O-N 3.09Å; L575-R577 VanDerWaalsContact C-N 3.29Å; L575-R577 PolarHBondContact O-N 2.97Å; R577-W580 CarbonylContact O-C 3.58Å; R577-W580 PolarHBondContact O-N 3.49Å; R577-W580 VanDerWaalsContact O-N 3.17Å; R577-T581 PolarHBondContact O-N 2.96Å
578E95.2Very high93.8Very high73 Ų7350.6 Ų50.634%0.34124%0.244SC..Hα-helixtrans-61-44.2172.1-69.2167.8-173.500110.8T574 L575 W580 T581 P588T574-E578 WeakPolarHBondContact O-CG 3.24Å; T574-E578 PolarHBondContact O-N 3.46Å; L575-E578 WeakPolarHBondContact O-CB 3.33Å; L575-E578 PolarHBondContact O-N 3.47Å; E578-W580 PolarHBondContact O-N 3.38Å; E578-T581 WeakPolarHBondContact O-CB 3.5Å; E578-T581 PolarHBondContact O-N 3.5Å; E578-T581 VanDerWaalsContact O-N 3.11Å; E578-T581 PolarHBondContact O-OG1 3.44Å; E578-P588 HydrophobicContact CB-CG 4.31Å; E578-P588 WeakPolarHBondContact O-CD 3.44Å
579C97.9Very high93.8Very high0 Ų052.6 Ų52.60%026%0.255CS..Hα-helixtrans-60.1-32.5174.3-66.10000112.5V526 L575 M576 T581 R587V526-C579 HydrophobicContact CG1-CB 4.03Å; V526-C579 WeakPolarHBondContact O-CB 3.49Å; L575-C579 PolarHBondContact O-N 3.35Å; L575-C579 PolarHBondContact O-SG 3.09Å; M576-C579 WeakPolarHBondContact O-CB 3.29Å; M576-C579 PolarHBondContact O-N 3.36Å; C579-T581 VanDerWaalsContact C-N 3.28Å; C579-T581 PolarHBondContact O-N 2.88Å; C579-R587 VanDerWaalsContact O-CD 3.28Å; C579-R587 WeakPolarHBondContact O-CD 3.2Å; C579-R587 PolarHBondContact O-NE 3.29Å
580W98Very high94Very high1 Ų151.4 Ų51.40%0.00425%0.247CC..THydrogen-bonded Turntrans-90.624.3176.9-55.3-35.8000114.4W527 G530 W534 R561 M562 Y573 M576 R577 E578 H582W527-W580 AromaticContact CD2-CD1 3.86Å; W527-W580 AromaticContact CE2-CD1 3.85Å; W527-W580 HydrophobicContact CE3-CB 4.22Å; W527-W580 HydrophobicContact CH2-CB 4.02Å; W527-W580 HydrophobicContact CZ2-CB 4.42Å; W527-W580 HydrophobicContact CZ2-CG 4.48Å; W527-W580 VanDerWaalsContact CZ3-C 3.46Å; W527-W580 HydrophobicContact CZ3-CB 3.93Å; W527-W580 VanDerWaalsContact CZ3-O 3.24Å; W527-W580 WeakPolarHBondContact CZ3-O 3.28Å; G530-W580 VanDerWaalsContact O-CZ2 3.27Å; G530-W580 WeakPolarHBondContact O-CZ2 3.39Å; W534-W580 HydrophobicContact CB-CH2 4.09Å; W534-W580 HydrophobicContact CB-CZ2 4.05Å; W534-W580 AromaticContact CD1-CH2 3.91Å; W534-W580 HydrophobicContact CG-CH2 4.26Å; R561-W580 HydrophobicContact CB-CE3 4.16Å; R561-W580 HydrophobicContact CG-CE3 4.43Å; R561-W580 PolarHBondContact NE-O 3.31Å; R561-W580 PolarHBondContact NH2-O 2.9Å; M562-W580 HydrophobicContact CB-CH2 4.1Å; M562-W580 HydrophobicContact CB-CZ3 4.34Å; M562-W580 HydrophobicContact CE-CH2 3.68Å; M562-W580 HydrophobicContact CE-CZ2 3.39Å; Y573-W580 HydrophobicContact CE2-CZ3 4.29Å; M576-W580 HydrophobicContact CB-CE3 4.4Å; M576-W580 HydrophobicContact CB-CH2 3.96Å; M576-W580 HydrophobicContact CB-CZ2 4.24Å; M576-W580 HydrophobicContact CB-CZ3 4.06Å; M576-W580 VanDerWaalsContact O-CD2 3.24Å; M576-W580 VanDerWaalsContact O-CG 3.3Å; M576-W580 PolarHBondContact O-N 3.36Å; M576-W580 HydrophobicContact SD-CH2 4.3Å; R577-W580 CarbonylContact O-C 3.58Å; R577-W580 PolarHBondContact O-N 3.49Å; R577-W580 VanDerWaalsContact O-N 3.17Å; E578-W580 PolarHBondContact O-N 3.38Å; W580-H582 PolarHBondContact O-N 3.48Å
581T96.6Very high94Very high43 Ų4351.6 Ų51.626%0.26425%0.246SC..  trans-60.8126.9168-590000109.5R577 E578 C579 D586 R587R577-T581 PolarHBondContact O-N 2.96Å; E578-T581 WeakPolarHBondContact O-CB 3.5Å; E578-T581 PolarHBondContact O-N 3.5Å; E578-T581 VanDerWaalsContact O-N 3.11Å; E578-T581 PolarHBondContact O-OG1 3.44Å; C579-T581 VanDerWaalsContact C-N 3.28Å; C579-T581 PolarHBondContact O-N 2.88Å; T581-D586 HydrophobicContact CG2-CB 3.78Å; T581-R587 PolarHBondContact O-NE 3.12Å; T581-R587 VanDerWaalsContact O-NE 3.08Å; T581-R587 PolarHBondContact O-NH2 3.03Å; T581-R587 VanDerWaalsContact O-NH2 3.13Å
582H94.3Very high94Very high91 Ų9152.6 Ų52.642%0.42125%0.254SS..SBendtrans-66.5-50-171.2-169.890.8000111.4W580 H584 R587W580-H582 PolarHBondContact O-N 3.48Å; H582-H584 PolarHBondContact O-N 3.37Å; H582-R587 PolarHBondContact O-NH2 2.91Å
583S93.8Very high93.9Very high43 Ų4352.6 Ų52.630%0.30125%0.254SS..SBendtrans-67.2124.8170.7174.40000109.9E585 D586 R587S583-E585 VanDerWaalsContact C-N 3.26Å; S583-E585 PolarHBondContact O-N 3.13Å; S583-D586 WeakPolarHBondContact CB-OD2 3.42Å; S583-D586 PolarHBondContact OG-OD2 3.49Å; S583-R587 PolarHBondContact O-N 2.96Å
584H92.9Very high93.7Very high74 Ų7451.4 Ų51.434%0.34325%0.249SC..THydrogen-bonded Turntrans-73.4-19.3-18068.976.4000112.9K523 H582K523-H584 HydrophobicContact CB-CB 4.35Å; H582-H584 PolarHBondContact O-N 3.37Å
585E92.1Very high93.1Very high154 Ų15452.5 Ų52.572%0.7225%0.25SS*.THydrogen-bonded Turntrans-73.1-39.7178.2-61.4-176.5167.400111S583 R587S583-E585 VanDerWaalsContact C-N 3.26Å; S583-E585 PolarHBondContact O-N 3.13Å; E585-R587 VanDerWaalsContact C-N 3.34Å
586D91.9Very high92.5Very high120 Ų12053.1 Ų53.164%0.64226%0.255SS*.THydrogen-bonded Turntrans-81.1-17.2178.4-56.6-55.1000112.7T581 S583T581-D586 HydrophobicContact CG2-CB 3.78Å; S583-D586 WeakPolarHBondContact CB-OD2 3.42Å; S583-D586 PolarHBondContact OG-OD2 3.49Å
587R96.6Very high92Very high2 Ų253.1 Ų53.11%0.00826%0.255CS..SBendtrans-65.8137.5178.9-165-177.7-60.7151.68109.7E513 K523 V526 C579 T581 H582 S583 E585E513-R587 IonicContact OE1-CZ 3.32Å; E513-R587 IonicContact OE1-NH1 3.32Å; E513-R587 PolarHBondContact OE1-NH1 3.19Å; E513-R587 IonicContact OE1-NH2 3.7Å; E513-R587 PolarHBondContact OE1-NH2 2.75Å; E513-R587 IonicContact OE2-CZ 3.1Å; E513-R587 IonicContact OE2-NH1 2.73Å; E513-R587 IonicContact OE2-NH2 3.75Å; E513-R587 PolarHBondContact OE2-NH2 3.17Å; K523-R587 VanDerWaalsContact C-NH1 3.32Å; K523-R587 PolarHBondContact NZ-O 2.75Å; K523-R587 WeakPolarHBondContact O-CD 3.46Å; K523-R587 PolarHBondContact O-NH1 2.9Å; V526-R587 HydrophobicContact CB-CG 4.49Å; V526-R587 HydrophobicContact CG1-CG 3.94Å; C579-R587 VanDerWaalsContact O-CD 3.28Å; C579-R587 WeakPolarHBondContact O-CD 3.2Å; C579-R587 PolarHBondContact O-NE 3.29Å; T581-R587 PolarHBondContact O-NE 3.12Å; T581-R587 VanDerWaalsContact O-NE 3.08Å; T581-R587 PolarHBondContact O-NH2 3.03Å; T581-R587 VanDerWaalsContact O-NH2 3.13Å; H582-R587 PolarHBondContact O-NH2 2.91Å; S583-R587 PolarHBondContact O-N 2.96Å; E585-R587 VanDerWaalsContact C-N 3.34Å
588P92.9Very high91.3Very high17 Ų1749.4 Ų49.411%0.1124%0.241CC..PPolyproline II helixtrans-60.7156.2176.926.2-35000111.7K523 V526 E578 K592 V593K523-P588 WeakPolarHBondContact CD-O 3.39Å; K523-P588 VanDerWaalsContact NZ-C 3.28Å; K523-P588 PolarHBondContact NZ-O 2.76Å; V526-P588 HydrophobicContact CG1-CG 4.27Å; E578-P588 HydrophobicContact CB-CG 4.31Å; E578-P588 WeakPolarHBondContact O-CD 3.44Å; P588-K592 HydrophobicContact CB-CB 4.05Å; P588-K592 HydrophobicContact CB-CD 4.38Å; P588-V593 HydrophobicContact CB-CG2 4.14Å; P588-V593 HydrophobicContact CG-CG2 3.99Å
589D94.3Very high90.4Very high43 Ų4348 Ų4823%0.2324%0.238CC..PPolyproline II helixtrans-85.4170.2166.250.335.5000110.4K523 K591 K592 V593K523-D589 VanDerWaalsContact NZ-N 3.14Å; D589-K591 PolarHBondContact O-N 3.1Å; D589-K591 PolarHBondContact OD1-N 2.63Å; D589-K592 PolarHBondContact O-N 2.88Å; D589-K592 WeakPolarHBondContact OD1-CB 3.47Å; D589-K592 VanDerWaalsContact OD1-CG 3.28Å; D589-K592 WeakPolarHBondContact OD1-CG 3.28Å; D589-K592 PolarHBondContact OD1-N 3.41Å; D589-V593 WeakPolarHBondContact O-CG2 3.35Å; D589-V593 PolarHBondContact O-N 3.17Å; D589-V593 VanDerWaalsContact O-N 3.09Å
590F95.4Very high89.5Confident1 Ų149.7 Ų49.70%0.00424%0.244CC..Hα-helixtrans-68.2-24.5179.6-83.4-69.5000112.9M453 K454 E457 L466 S522 D525 V526 F529 V593 E594M453-F590 HydrophobicContact CB-CD1 3.51Å; M453-F590 HydrophobicContact CB-CD2 4.02Å; M453-F590 HydrophobicContact CB-CE1 3.37Å; M453-F590 HydrophobicContact CB-CE2 3.88Å; M453-F590 HydrophobicContact CB-CG 3.84Å; M453-F590 HydrophobicContact CB-CZ 3.56Å; M453-F590 HydrophobicContact CE-CD2 4.44Å; M453-F590 HydrophobicContact CE-CE2 3.58Å; M453-F590 HydrophobicContact CE-CZ 3.65Å; M453-F590 HydrophobicContact CG-CD1 4.47Å; M453-F590 HydrophobicContact CG-CE1 3.86Å; M453-F590 HydrophobicContact CG-CE2 4.46Å; M453-F590 HydrophobicContact CG-CZ 3.85Å; K454-F590 HydrophobicContact CB-CB 4.01Å; E457-F590 HydrophobicContact CB-CB 4.4Å; E457-F590 HydrophobicContact CB-CD2 4.25Å; E457-F590 PolarHBondContact OE1-N 3.44Å; E457-F590 WeakPolarHBondContact OE2-CA 3.37Å; E457-F590 WeakPolarHBondContact OE2-CB 3.46Å; E457-F590 PolarHBondContact OE2-N 2.94Å; L466-F590 HydrophobicContact CD2-CZ 4.46Å; S522-F590 WeakPolarHBondContact O-CE2 3.07Å; D525-F590 HydrophobicContact CB-CE2 3.75Å; D525-F590 HydrophobicContact CB-CZ 4Å; V526-F590 HydrophobicContact CB-CE2 4.45Å; V526-F590 HydrophobicContact CB-CZ 4.32Å; V526-F590 HydrophobicContact CG2-CD1 4.12Å; V526-F590 HydrophobicContact CG2-CD2 3.65Å; V526-F590 HydrophobicContact CG2-CE1 4.01Å; V526-F590 HydrophobicContact CG2-CE2 3.54Å; V526-F590 HydrophobicContact CG2-CG 3.94Å; V526-F590 HydrophobicContact CG2-CZ 3.73Å; F529-F590 HydrophobicContact CB-CE1 3.82Å; F529-F590 HydrophobicContact CB-CZ 4.08Å; F529-F590 HydrophobicContact CD2-CE1 4.2Å; F529-F590 AromaticContact CG-CE1 3.94Å; F529-F590 HydrophobicContact CG-CE1 3.94Å; F590-V593 HydrophobicContact CD1-CB 4.38Å; F590-V593 HydrophobicContact CD1-CG1 4.44Å; F590-V593 PolarHBondContact O-N 3.42Å; F590-E594 VanDerWaalsContact O-CB 3.27Å; F590-E594 WeakPolarHBondContact O-CB 3.44Å; F590-E594 PolarHBondContact O-N 3.22Å
591K87.5Confident88.8Confident112 Ų11249.7 Ų49.749%0.48724%0.244SC..Hα-helixtrans-56.7-52.2170.2-177-179.7177-177.70111.6E457 D589 E595E457-K591 PolarHBondContact OE2-N 2.91Å; D589-K591 PolarHBondContact O-N 3.1Å; D589-K591 PolarHBondContact OD1-N 2.63Å; K591-E595 WeakPolarHBondContact CE-OE1 3.38Å; K591-E595 WeakPolarHBondContact O-CB 3.44Å; K591-E595 WeakPolarHBondContact O-CG 3.25Å; K591-E595 PolarHBondContact O-N 3.42Å
592K84.1Confident88Confident129 Ų12947.9 Ų47.956%0.56123%0.233SC*.Hα-helixtrans-65.6-38.6177.1-73.1176.8-176.6-178.80112.3P588 D589 E595 S596P588-K592 HydrophobicContact CB-CB 4.05Å; P588-K592 HydrophobicContact CB-CD 4.38Å; D589-K592 PolarHBondContact O-N 2.88Å; D589-K592 WeakPolarHBondContact OD1-CB 3.47Å; D589-K592 VanDerWaalsContact OD1-CG 3.28Å; D589-K592 WeakPolarHBondContact OD1-CG 3.28Å; D589-K592 PolarHBondContact OD1-N 3.41Å; K592-E595 PolarHBondContact O-N 3.2Å; K592-S596 WeakPolarHBondContact O-CB 3.25Å; K592-S596 PolarHBondContact O-N 3.06Å
593V91Very high87.1Confident0 Ų044.2 Ų44.20%022%0.217CC..Hα-helixtrans-64.3-47.5178173.20000111.2V526 F529 L575 P588 D589 F590 S596 M597V526-V593 HydrophobicContact CG1-CG2 4.07Å; F529-V593 HydrophobicContact CD1-CG1 3.73Å; F529-V593 HydrophobicContact CE1-CG1 3.36Å; F529-V593 HydrophobicContact CZ-CG1 4.08Å; L575-V593 HydrophobicContact CD1-CG2 4.41Å; L575-V593 HydrophobicContact CD2-CG1 4.49Å; P588-V593 HydrophobicContact CB-CG2 4.14Å; P588-V593 HydrophobicContact CG-CG2 3.99Å; D589-V593 WeakPolarHBondContact O-CG2 3.35Å; D589-V593 PolarHBondContact O-N 3.17Å; D589-V593 VanDerWaalsContact O-N 3.09Å; F590-V593 HydrophobicContact CD1-CB 4.38Å; F590-V593 HydrophobicContact CD1-CG1 4.44Å; F590-V593 PolarHBondContact O-N 3.42Å; V593-S596 PolarHBondContact O-N 3.3Å; V593-M597 HydrophobicContact CG1-CG 4.47Å; V593-M597 WeakPolarHBondContact O-CB 3.24Å; V593-M597 WeakPolarHBondContact O-CG 3.07Å; V593-M597 PolarHBondContact O-N 2.72Å
594E92.3Very high86.3Confident4 Ų443.5 Ų43.52%0.01921%0.21CC..Hα-helixtrans-62.2-43.1177-173.1-81.3145.600111.3H447 M451 K454 F590 S596 M597 R598H447-E594 IonicContact CD2-OE1 3.68Å; H447-E594 IonicContact NE2-OE1 3.91Å; H447-E594 PolarHBondContact NE2-OE1 2.85Å; M451-E594 HydrophobicContact CG-CG 3.8Å; K454-E594 HydrophobicContact CB-CB 4.45Å; K454-E594 HydrophobicContact CD-CB 4.45Å; K454-E594 HydrophobicContact CD-CG 4.45Å; F590-E594 VanDerWaalsContact O-CB 3.27Å; F590-E594 WeakPolarHBondContact O-CB 3.44Å; F590-E594 PolarHBondContact O-N 3.22Å; E594-S596 VanDerWaalsContact C-N 3.34Å; E594-S596 PolarHBondContact O-N 3.45Å; E594-M597 PolarHBondContact O-N 3.45Å; E594-R598 WeakPolarHBondContact O-CB 3.44Å; E594-R598 PolarHBondContact O-N 3.18Å; E594-R598 IonicContact OE1-CZ 3.94Å; E594-R598 IonicContact OE1-NE 2.88Å; E594-R598 IonicContact OE1-NH1 3.45Å; E594-R598 PolarHBondContact OE1-NH1 3.24Å; E594-R598 IonicContact OE2-CZ 3.97Å; E594-R598 IonicContact OE2-NH1 2.64Å; E594-R598 PolarHBondContact OE2-NH1 2.99Å; E594-R598 IonicContact OE2-NH2 3.68Å
595E80.7Confident85.6Confident74 Ų7440 Ų4035%0.34619%0.194SC..Hα-helixtrans-58.2-44.5174.9-80.9168.1-17100112.2K591 K592 R598 T599K591-E595 WeakPolarHBondContact CE-OE1 3.38Å; K591-E595 WeakPolarHBondContact O-CB 3.44Å; K591-E595 WeakPolarHBondContact O-CG 3.25Å; K591-E595 PolarHBondContact O-N 3.42Å; K592-E595 PolarHBondContact O-N 3.2Å; E595-R598 VanDerWaalsContact CG-NH2 3.26Å; E595-T599 WeakPolarHBondContact O-CB 3.45Å; E595-T599 PolarHBondContact O-N 3.32Å; E595-T599 PolarHBondContact O-OG1 3.26Å
596S80.6Confident84.6Confident16 Ų1634.1 Ų34.111%0.11217%0.169CC..Hα-helixtrans-67.4-44.8178-167.40000112.2R571 K592 V593 E594 Y600R571-S596 PolarHBondContact NH2-OG 3.13Å; K592-S596 WeakPolarHBondContact O-CB 3.25Å; K592-S596 PolarHBondContact O-N 3.06Å; V593-S596 PolarHBondContact O-N 3.3Å; E594-S596 VanDerWaalsContact C-N 3.34Å; E594-S596 PolarHBondContact O-N 3.45Å; S596-Y600 PolarHBondContact O-N 2.87Å
597M85.8Confident83.7Confident0 Ų032.5 Ų32.50%016%0.157CC..Hα-helixtrans-60.3-48.1175.2-77.7-60.4-61.100111.8V443 M446 H447 F529 M533 M572 L575 V593 E594 T599 Y600 H601V443-M597 HydrophobicContact CG1-CE 4.44Å; M446-M597 HydrophobicContact CB-CE 3.54Å; H447-M597 HydrophobicContact CB-CB 4.4Å; H447-M597 HydrophobicContact CB-CE 4.35Å; F529-M597 HydrophobicContact CE1-CG 4.47Å; F529-M597 HydrophobicContact CZ-CG 4.24Å; M533-M597 HydrophobicContact CE-SD 3.67Å; M533-M597 HydrophobicContact SD-SD 4.46Å; M572-M597 HydrophobicContact CE-SD 4.32Å; M572-M597 HydrophobicContact SD-CE 4.18Å; M572-M597 HydrophobicContact SD-SD 3.7Å; M572-M597 VanDerWaalsContact SD-SD 3.7Å; L575-M597 HydrophobicContact CD2-CG 3.7Å; L575-M597 HydrophobicContact CD2-SD 3.53Å; L575-M597 VanDerWaalsContact CD2-SD 3.53Å; V593-M597 HydrophobicContact CG1-CG 4.47Å; V593-M597 WeakPolarHBondContact O-CB 3.24Å; V593-M597 WeakPolarHBondContact O-CG 3.07Å; V593-M597 PolarHBondContact O-N 2.72Å; E594-M597 PolarHBondContact O-N 3.45Å; M597-T599 PolarHBondContact O-N 3.46Å; M597-Y600 PolarHBondContact O-N 3.31Å; M597-H601 VanDerWaalsContact O-CB 3.27Å; M597-H601 WeakPolarHBondContact O-CB 3.45Å; M597-H601 PolarHBondContact O-N 3.05Å
598R84.2Confident82.1Confident40 Ų4033.3 Ų33.315%0.15116%0.164CC..Hα-helixtrans-60.1-47.7-179.9-179.4172.361.1-141-6111.8H447 E594 E595 Y600 H601 Y602H447-R598 WeakPolarHBondContact NE2-CB 3.46Å; E594-R598 WeakPolarHBondContact O-CB 3.44Å; E594-R598 PolarHBondContact O-N 3.18Å; E594-R598 IonicContact OE1-CZ 3.94Å; E594-R598 IonicContact OE1-NE 2.88Å; E594-R598 IonicContact OE1-NH1 3.45Å; E594-R598 PolarHBondContact OE1-NH1 3.24Å; E594-R598 IonicContact OE2-CZ 3.97Å; E594-R598 IonicContact OE2-NH1 2.64Å; E594-R598 PolarHBondContact OE2-NH1 2.99Å; E594-R598 IonicContact OE2-NH2 3.68Å; E595-R598 VanDerWaalsContact CG-NH2 3.26Å; R598-Y600 VanDerWaalsContact C-N 3.3Å; R598-Y600 PolarHBondContact O-N 3.12Å; R598-H601 PolarHBondContact O-N 3.38Å; R598-Y602 HydrophobicContact CG-CD1 4.22Å; R598-Y602 HydrophobicContact CG-CD2 4.03Å; R598-Y602 HydrophobicContact CG-CE1 3.81Å; R598-Y602 HydrophobicContact CG-CE2 3.64Å; R598-Y602 HydrophobicContact CG-CG 4.35Å; R598-Y602 WeakPolarHBondContact O-CB 3.34Å; R598-Y602 WeakPolarHBondContact O-CD1 3.46Å; R598-Y602 VanDerWaalsContact O-CG 3.26Å; R598-Y602 PolarHBondContact O-N 3.43Å
599T74.6Confident80.6Confident45 Ų4540 Ų4028%0.27619%0.191SC..Hα-helixtrans-59.8-45.5-178-56.10000110.5V7 E8 E595 M597 Y602 S603V7-T599 HydrophobicContact CG1-CG2 3.86Å; E8-T599 HydrophobicContact CG-CG2 3.44Å; E8-T599 VanDerWaalsContact CG-CG2 3.44Å; E595-T599 WeakPolarHBondContact O-CB 3.45Å; E595-T599 PolarHBondContact O-N 3.32Å; E595-T599 PolarHBondContact O-OG1 3.26Å; M597-T599 PolarHBondContact O-N 3.46Å; T599-Y602 PolarHBondContact O-N 3.04Å; T599-S603 WeakPolarHBondContact O-CB 3.44Å; T599-S603 PolarHBondContact O-N 3.44Å
600Y79.7Confident78.2Confident35 Ų3542.1 Ų42.114%0.13721%0.207CC..Hα-helixtrans-68.6-42177.4-172.3-108.6000112.7E8 V443 P569 R571 M572 S596 M597 R598 Y602 S603 I604E8-Y600 WeakPolarHBondContact OE1-CA 3.47Å; E8-Y600 PolarHBondContact OE1-N 3.48Å; V443-Y600 HydrophobicContact CG1-CD1 4.06Å; V443-Y600 HydrophobicContact CG2-CD1 4.16Å; V443-Y600 HydrophobicContact CG2-CE1 3.97Å; P569-Y600 HydrophobicContact CB-CE1 4.23Å; P569-Y600 WeakPolarHBondContact CB-OH 3.46Å; P569-Y600 HydrophobicContact CG-CE1 4.12Å; P569-Y600 VanDerWaalsContact CG-OH 3.24Å; P569-Y600 WeakPolarHBondContact CG-OH 3.4Å; R571-Y600 HydrophobicContact CB-CD2 3.99Å; R571-Y600 HydrophobicContact CB-CE2 3.9Å; R571-Y600 HydrophobicContact CG-CD2 3.72Å; R571-Y600 HydrophobicContact CG-CE2 4.18Å; R571-Y600 HydrophobicContact CG-CG 4.22Å; M572-Y600 VanDerWaalsContact CE-CB 3.49Å; M572-Y600 HydrophobicContact CE-CD1 3.28Å; M572-Y600 HydrophobicContact CE-CD2 4.25Å; M572-Y600 HydrophobicContact CE-CE1 4.06Å; M572-Y600 HydrophobicContact CE-CG 3.39Å; M572-Y600 HydrophobicContact CG-CD1 3.78Å; M572-Y600 HydrophobicContact CG-CE1 3.62Å; M572-Y600 HydrophobicContact SD-CD1 3.49Å; M572-Y600 WeakPolarHBondContact SD-CD1 3.46Å; M572-Y600 HydrophobicContact SD-CE1 3.99Å; M572-Y600 HydrophobicContact SD-CG 4.24Å; S596-Y600 PolarHBondContact O-N 2.87Å; M597-Y600 PolarHBondContact O-N 3.31Å; R598-Y600 VanDerWaalsContact C-N 3.3Å; R598-Y600 PolarHBondContact O-N 3.12Å; Y600-Y602 VanDerWaalsContact C-N 3.32Å; Y600-Y602 PolarHBondContact O-N 3.43Å; Y600-S603 WeakPolarHBondContact O-CB 3.46Å; Y600-S603 PolarHBondContact O-N 3.47Å; Y600-I604 HydrophobicContact CD1-CD1 4.4Å; Y600-I604 HydrophobicContact CD1-CG2 4.34Å; Y600-I604 HydrophobicContact CD2-CG2 4.34Å; Y600-I604 HydrophobicContact CE1-CD1 4.1Å; Y600-I604 HydrophobicContact CE1-CG2 3.83Å; Y600-I604 HydrophobicContact CE2-CG2 3.81Å; Y600-I604 WeakPolarHBondContact O-CG1 3.19Å; Y600-I604 PolarHBondContact O-N 3.22Å
601H82.8Confident75.4Confident0 Ų049.6 Ų49.60%025%0.247CC..Hα-helixtrans-55.7-46.6175.3172.8-132000111.5S145 V443 H447 M597 R598 I604 S605S145-H601 PolarHBondContact O-CE1 3Å; V443-H601 HydrophobicContact CG1-CB 3.76Å; H447-H601 HydrophobicContact CB-CB 4.47Å; H447-H601 AromaticContact ND1-ND1 3.47Å; H447-H601 PolarHBondContact ND1-ND1 2.9Å; M597-H601 VanDerWaalsContact O-CB 3.27Å; M597-H601 WeakPolarHBondContact O-CB 3.45Å; M597-H601 PolarHBondContact O-N 3.05Å; R598-H601 PolarHBondContact O-N 3.38Å; H601-I604 WeakPolarHBondContact O-CG1 3.31Å; H601-S605 PolarHBondContact CD2-OG 2.91Å; H601-S605 PolarHBondContact NE2-OG 3.37Å; H601-S605 VanDerWaalsContact O-CB 3.25Å; H601-S605 WeakPolarHBondContact O-CB 3.22Å; H601-S605 PolarHBondContact O-N 3.44Å; H601-S605 PolarHBondContact O-OG 3.05Å
602Y80.3Confident73.2Confident6 Ų648 Ų482%0.02426%0.263CS..Hα-helixtrans-65-44.2177.8-69.5-0.1000111.6V3 I144 A147 P148 R598 T599 Y600 I604 S605 S606V3-Y602 HydrophobicContact CB-CD2 4.01Å; V3-Y602 HydrophobicContact CB-CE2 4.32Å; V3-Y602 HydrophobicContact CG1-CD1 4.38Å; V3-Y602 HydrophobicContact CG1-CD2 3.74Å; V3-Y602 HydrophobicContact CG1-CE2 4.22Å; V3-Y602 HydrophobicContact CG1-CG 3.79Å; V3-Y602 HydrophobicContact CG2-CD2 4Å; V3-Y602 HydrophobicContact CG2-CE2 3.78Å; I144-Y602 WeakPolarHBondContact CA-OH 3.25Å; I144-Y602 WeakPolarHBondContact O-CE1 3.38Å; I144-Y602 PolarHBondContact O-OH 2.99Å; A147-Y602 HydrophobicContact CB-CE1 4.2Å; P148-Y602 HydrophobicContact CG-CD1 3.58Å; P148-Y602 HydrophobicContact CG-CE1 4.05Å; P148-Y602 HydrophobicContact CG-CG 4.31Å; R598-Y602 HydrophobicContact CG-CD1 4.22Å; R598-Y602 HydrophobicContact CG-CD2 4.03Å; R598-Y602 HydrophobicContact CG-CE1 3.81Å; R598-Y602 HydrophobicContact CG-CE2 3.64Å; R598-Y602 HydrophobicContact CG-CG 4.35Å; R598-Y602 WeakPolarHBondContact O-CB 3.34Å; R598-Y602 WeakPolarHBondContact O-CD1 3.46Å; R598-Y602 VanDerWaalsContact O-CG 3.26Å; R598-Y602 PolarHBondContact O-N 3.43Å; T599-Y602 PolarHBondContact O-N 3.04Å; Y600-Y602 VanDerWaalsContact C-N 3.32Å; Y600-Y602 PolarHBondContact O-N 3.43Å; Y602-I604 PolarHBondContact O-N 3.05Å; Y602-S605 PolarHBondContact O-N 3.39Å; Y602-S606 VanDerWaalsContact O-CB 3.28Å; Y602-S606 WeakPolarHBondContact O-CB 3.37Å; Y602-S606 PolarHBondContact O-N 3.43Å; Y602-S606 VanDerWaalsContact O-N 3.11Å; Y602-S606 PolarHBondContact O-OG 3.11Å
603S74.6Confident70.7Confident13 Ų1345.4 Ų45.49%0.09127%0.265CS..Hα-helixtrans-56-49.3178.6178.80000111.8E8 T599 Y600 K607E8-S603 VanDerWaalsContact OE2-CB 3.25Å; E8-S603 WeakPolarHBondContact OE2-CB 3.41Å; E8-S603 PolarHBondContact OE2-OG 3.23Å; T599-S603 WeakPolarHBondContact O-CB 3.44Å; T599-S603 PolarHBondContact O-N 3.44Å; Y600-S603 WeakPolarHBondContact O-CB 3.46Å; Y600-S603 PolarHBondContact O-N 3.47Å; S603-K607 WeakPolarHBondContact O-CG 3.42Å
604I78.9Confident68Low29 Ų2954.6 Ų54.615%0.14931%0.308CS..Hα-helixtrans-74.8-35.9-178.867.5177.1000113.1E440 V443 Y600 H601 Y602 S606 K607E440-I604 HydrophobicContact CB-CD1 4.31Å; E440-I604 HydrophobicContact CG-CD1 4.21Å; E440-I604 HydrophobicContact CG-CG1 4.36Å; V443-I604 HydrophobicContact CB-CD1 3.76Å; V443-I604 HydrophobicContact CG1-CD1 3.74Å; V443-I604 HydrophobicContact CG2-CD1 3.83Å; Y600-I604 HydrophobicContact CD1-CD1 4.4Å; Y600-I604 HydrophobicContact CD1-CG2 4.34Å; Y600-I604 HydrophobicContact CD2-CG2 4.34Å; Y600-I604 HydrophobicContact CE1-CD1 4.1Å; Y600-I604 HydrophobicContact CE1-CG2 3.83Å; Y600-I604 HydrophobicContact CE2-CG2 3.81Å; Y600-I604 WeakPolarHBondContact O-CG1 3.19Å; Y600-I604 PolarHBondContact O-N 3.22Å; H601-I604 WeakPolarHBondContact O-CG1 3.31Å; Y602-I604 PolarHBondContact O-N 3.05Å; I604-S606 VanDerWaalsContact C-N 3.26Å; I604-S606 PolarHBondContact O-N 3.01Å; I604-K607 PolarHBondContact O-N 3.36Å
605S78.1Confident65.4Low1 Ų159.1 Ų59.11%0.00735%0.346CS..Hα-helixtrans-73.5-21.7-176.4-55.50000113.1P148 K152 E440 H601 Y602P148-S605 VanDerWaalsContact CB-CB 3.49Å; K152-S605 WeakPolarHBondContact CE-O 3.47Å; K152-S605 PolarHBondContact NZ-O 2.67Å; E440-S605 WeakPolarHBondContact OE1-CA 3.16Å; H601-S605 PolarHBondContact CD2-OG 2.91Å; H601-S605 PolarHBondContact NE2-OG 3.37Å; H601-S605 VanDerWaalsContact O-CB 3.25Å; H601-S605 WeakPolarHBondContact O-CB 3.22Å; H601-S605 PolarHBondContact O-N 3.44Å; H601-S605 PolarHBondContact O-OG 3.05Å; Y602-S605 PolarHBondContact O-N 3.39Å
606S70.5Confident62.9Low29 Ų2960.2 Ų60.220%0.20337%0.368CS..THydrogen-bonded Turntrans-86-12.7-179.7-57.30000113.3Y602 I604Y602-S606 VanDerWaalsContact O-CB 3.28Å; Y602-S606 WeakPolarHBondContact O-CB 3.37Å; Y602-S606 PolarHBondContact O-N 3.43Å; Y602-S606 VanDerWaalsContact O-N 3.11Å; Y602-S606 PolarHBondContact O-OG 3.11Å; I604-S606 VanDerWaalsContact C-N 3.26Å; I604-S606 PolarHBondContact O-N 3.01Å
607K72.6Confident60.6Low87 Ų8764 Ų6438%0.37840%0.4SS..SBendtrans-69.1137.3179.1-68.4-173.3-177.5-160.90110.6E83 S603 I604 K609E83-K607 WeakPolarHBondContact OE1-CE 3.44Å; E83-K607 IonicContact OE1-NZ 3.8Å; E83-K607 PolarHBondContact OE1-NZ 3.49Å; S603-K607 WeakPolarHBondContact O-CG 3.42Å; I604-K607 PolarHBondContact O-N 3.36Å; K607-K609 PolarHBondContact O-N 3.06Å
608A62.2Low57.9Low19 Ų1972.5 Ų72.516%0.15744%0.442CS..PPolyproline II helixtrans-62129.2169.100000108.9T69T69-A608 HydrophobicContact CG2-CB 4.13Å
609K61.4Low55.4Low156 Ų15676.2 Ų76.268%0.67847%0.472SS*.PPolyproline II helixtrans-69.7131.5171-67.2-173.6178.9-176.30107.2K607 D611K607-K609 PolarHBondContact O-N 3.06Å; K609-D611 PolarHBondContact O-N 2.81Å
610P44.9Very low53.4Low88 Ų8879.8 Ų79.857%0.57150%0.498SS*.PPolyproline II helixtrans-59.5133.4176.422.8-30.5000109.3G612 A613P610-G612 PolarHBondContact O-N 3.17Å; P610-A613 HydrophobicContact CG-CB 4.42Å; P610-A613 PolarHBondContact O-N 3.37Å
611D36.5Very low51.1Low159 Ų15991.4 Ų91.485%0.8555%0.55SS*.THydrogen-bonded Turntrans-53.8114.8173.3-75.5-37.1000108.5K609K609-D611 PolarHBondContact O-N 2.81Å
612G40.6Very low49.5Very low78 Ų7896 Ų9680%0.80458%0.577SS**THydrogen-bonded Turntrans113.19.3177.300000117.7P610 E614P610-G612 PolarHBondContact O-N 3.17Å; G612-E614 VanDerWaalsContact C-N 3.26Å; G612-E614 PolarHBondContact O-N 3.14Å
613A32.5Very low47.9Very low75 Ų75100.7 Ų100.762%0.6261%0.606SS**  trans-86.132.8175.200000114.9P610 A615P610-A613 HydrophobicContact CG-CB 4.42Å; P610-A613 PolarHBondContact O-N 3.37Å; A613-A615 PolarHBondContact O-N 3.31Å
614E34.7Very low46.4Very low192 Ų192105.6 Ų105.690%0.89764%0.635SS**SBendtrans-79.1106.4154.2-87.3-174.8165.800107.6G612G612-E614 VanDerWaalsContact C-N 3.26Å; G612-E614 PolarHBondContact O-N 3.14Å
615A36.4Very low44.5Very low99 Ų99110.1 Ų110.182%0.81866%0.663SS**  trans57.676.516600000117.4A613A613-A615 PolarHBondContact O-N 3.31Å
616A28Very low42.4Very low98 Ų98116.9 Ų116.981%0.8170%0.704SS**  trans-98.583.7148.100000108.8M618A616-M618 PolarHBondContact O-N 2.99Å
617A32.2Very low40.6Very low95 Ų95122.8 Ų122.879%0.78574%0.738SS**PPolyproline II helixtrans-55.2122160.100000107.6
618M29.1Very low38.3Very low178 Ų178125.4 Ų125.488%0.87776%0.764SS**PPolyproline II helixtrans-58.3140.8174.5-77.8-159173.100109.7A616 S620A616-M618 PolarHBondContact O-N 2.99Å; M618-S620 PolarHBondContact O-N 2.91Å
619P31.9Very low36.4Very low119 Ų119133.5 Ų133.577%0.77381%0.81SS**PPolyproline II helixtrans-65.3124.6178.826.9-31.4000108.8K621P619-K621 PolarHBondContact O-N 3.31Å
620S33Very low34.4Very low119 Ų119131.7 Ų131.783%0.83282%0.821SS**PPolyproline II helixtrans-49.5122.3168.545.90000110.4M618M618-S620 PolarHBondContact O-N 2.91Å
621K32.5Very low33.4Very low280 Ų280135.6 Ų135.6100%1.21784%0.844SS**  trans-116.60153.8-85.8-167.7176.5-177.30109P619P619-K621 PolarHBondContact O-N 3.31Å

Retrieved 621 of 621 residues in 1471.4 ms (Link to these results)

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