G4VHQ2_SCHMA Loading...

3-hydroxyacyl-CoA dehydrogenase type-2

AlphaFold DB , UniProt , Accession G4VHQ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 253 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
1M55.1Low88Confident53 Ų5344.3 Ų44.326%0.26128%0.277SS..  0158.30-141.6-158.1-171.900112.9A3 D136 I233 C234 N235 P236M1-A3 PolarHBondContact O-N 3.48Å; M1-D136 WeakPolarHBondContact CA-OD2 3.44Å; M1-D136 PolarHBondContact N-OD2 2.81Å; M1-I233 WeakPolarHBondContact CE-O 3.14Å; M1-C234 VanDerWaalsContact SD-C 3.54Å; M1-C234 VanDerWaalsContact SD-O 3.37Å; M1-N235 VanDerWaalsContact CE-C 3.41Å; M1-P236 HydrophobicContact CE-CB 3.46Å; M1-P236 VanDerWaalsContact CE-CB 3.46Å; M1-P236 HydrophobicContact CE-CG 4.19Å; M1-P236 HydrophobicContact CG-CB 4.07Å; M1-P236 HydrophobicContact CG-CG 4.45Å; M1-P236 HydrophobicContact SD-CB 3.45Å; M1-P236 WeakPolarHBondContact SD-CB 3.42Å; M1-P236 WeakPolarHBondContact SD-CD 3.33Å; M1-P236 HydrophobicContact SD-CG 3.55Å; M1-P236 VanDerWaalsContact SD-CG 3.55Å
2F71.7Confident88.9Confident30 Ų3040.6 Ų40.613%0.13225%0.254CS..  trans-66.577.5170.8-54.8-49.4000111.5S4 L8 H80 I233F2-S4 PolarHBondContact O-N 3.45Å; F2-S4 VanDerWaalsContact O-N 3.08Å; F2-L8 HydrophobicContact CB-CD1 3.68Å; F2-L8 HydrophobicContact CD1-CD1 3.48Å; F2-L8 VanDerWaalsContact CD1-CD1 3.48Å; F2-L8 HydrophobicContact CD1-CD2 3.32Å; F2-L8 HydrophobicContact CD1-CG 4.02Å; F2-L8 HydrophobicContact CD2-CD1 3.77Å; F2-L8 HydrophobicContact CE1-CD1 4.05Å; F2-L8 HydrophobicContact CE1-CD2 3.42Å; F2-L8 VanDerWaalsContact CE1-CD2 3.42Å; F2-L8 HydrophobicContact CE1-CG 4.39Å; F2-L8 HydrophobicContact CE2-CD1 4.31Å; F2-L8 HydrophobicContact CG-CD1 3.33Å; F2-L8 HydrophobicContact CG-CD2 4.12Å; F2-L8 HydrophobicContact CG-CG 4.35Å; F2-L8 HydrophobicContact CZ-CD1 4.45Å; F2-L8 HydrophobicContact CZ-CD2 4.3Å; F2-H80 HydrophobicContact CE1-CB 4.29Å; F2-H80 AromaticContact CE1-CD2 3.69Å; F2-H80 HydrophobicContact CE2-CB 4.04Å; F2-H80 HydrophobicContact CZ-CB 3.63Å; F2-H80 AromaticContact CZ-CD2 3.55Å; F2-H80 AromaticContact CZ-CG 3.83Å; F2-I233 HydrophobicContact CB-CG2 4.35Å; F2-I233 HydrophobicContact CD2-CG2 3.99Å
3A75.9Confident89.6Confident104 Ų10437.5 Ų37.586%0.8624%0.235SC*.SBendtrans-61.2-14171.100000112.2M1M1-A3 PolarHBondContact O-N 3.48Å
4S88.6Confident90.3Very high66 Ų6635.6 Ų35.646%0.46223%0.225SC..  trans-143.7148.1174.5-178.60000109.9F2 K6F2-S4 PolarHBondContact O-N 3.45Å; F2-S4 VanDerWaalsContact O-N 3.08Å; S4-K6 VanDerWaalsContact C-N 3.29Å; S4-K6 WeakPolarHBondContact OG-CB 3.47Å; S4-K6 PolarHBondContact OG-N 3.04Å
5L94.5Very high90.8Very high3 Ų333.2 Ų33.22%0.01621%0.21CC..  trans-80.7-10.9171.7-66166.9000112.8G7 L8 L27 E30 I81 E230 I233L5-G7 PolarHBondContact O-N 3.41Å; L5-L8 HydrophobicContact CD2-CD1 4.24Å; L5-L8 WeakPolarHBondContact O-CB 3.44Å; L5-L8 WeakPolarHBondContact O-CG 3.39Å; L5-L8 PolarHBondContact O-N 3.12Å; L5-L8 VanDerWaalsContact O-N 3.11Å; L5-L27 HydrophobicContact CD1-CD2 4.06Å; L5-L27 HydrophobicContact CD2-CD2 4.04Å; L5-E30 HydrophobicContact CB-CB 3.76Å; L5-E30 HydrophobicContact CD1-CB 3.61Å; L5-E30 HydrophobicContact CD1-CG 3.76Å; L5-E30 HydrophobicContact CG-CB 4.3Å; L5-I81 HydrophobicContact CD2-CD1 4.1Å; L5-E230 HydrophobicContact CD1-CB 4.35Å; L5-E230 HydrophobicContact CD1-CG 3.92Å; L5-I233 HydrophobicContact CD2-CB 4.11Å; L5-I233 HydrophobicContact CD2-CD1 3.77Å; L5-I233 HydrophobicContact CD2-CG2 3.57Å
6K95.5Very high91.3Very high165 Ų16531.8 Ų31.872%0.71720%0.202SC*.THydrogen-bonded Turntrans-62.8126.2-174.9-174.4176.3-179.8178.30111.2S4 L8 E30S4-K6 VanDerWaalsContact C-N 3.29Å; S4-K6 WeakPolarHBondContact OG-CB 3.47Å; S4-K6 PolarHBondContact OG-N 3.04Å; K6-L8 PolarHBondContact O-N 2.89Å; K6-E30 WeakPolarHBondContact CA-O 3.45Å; K6-E30 PolarHBondContact N-O 2.95Å
7G94.3Very high91.7Very high48 Ų4833.2 Ų33.250%0.49521%0.213SC..THydrogen-bonded Turntrans77.3-1.8179.700000114.5L5 G31L5-G7 PolarHBondContact O-N 3.41Å; G7-G31 PolarHBondContact N-O 3.29Å
8L96.5Very high92Very high14 Ų1432.2 Ų32.27%0.07321%0.209CC..  trans-70.8170.7169.4-56-172.5000110.6F2 L5 K6 C32 N33 H80 I81F2-L8 HydrophobicContact CB-CD1 3.68Å; F2-L8 HydrophobicContact CD1-CD1 3.48Å; F2-L8 VanDerWaalsContact CD1-CD1 3.48Å; F2-L8 HydrophobicContact CD1-CD2 3.32Å; F2-L8 HydrophobicContact CD1-CG 4.02Å; F2-L8 HydrophobicContact CD2-CD1 3.77Å; F2-L8 HydrophobicContact CE1-CD1 4.05Å; F2-L8 HydrophobicContact CE1-CD2 3.42Å; F2-L8 VanDerWaalsContact CE1-CD2 3.42Å; F2-L8 HydrophobicContact CE1-CG 4.39Å; F2-L8 HydrophobicContact CE2-CD1 4.31Å; F2-L8 HydrophobicContact CG-CD1 3.33Å; F2-L8 HydrophobicContact CG-CD2 4.12Å; F2-L8 HydrophobicContact CG-CG 4.35Å; F2-L8 HydrophobicContact CZ-CD1 4.45Å; F2-L8 HydrophobicContact CZ-CD2 4.3Å; L5-L8 HydrophobicContact CD2-CD1 4.24Å; L5-L8 WeakPolarHBondContact O-CB 3.44Å; L5-L8 WeakPolarHBondContact O-CG 3.39Å; L5-L8 PolarHBondContact O-N 3.12Å; L5-L8 VanDerWaalsContact O-N 3.11Å; K6-L8 PolarHBondContact O-N 2.89Å; L8-C32 CarbonylContact O-C 3.54Å; L8-C32 WeakPolarHBondContact O-CA 3.35Å; L8-C32 PolarHBondContact O-SG 2.86Å; L8-N33 PolarHBondContact O-N 3.35Å; L8-N33 PolarHBondContact O-ND2 3.31Å; L8-H80 HydrophobicContact CB-CB 4.38Å; L8-H80 HydrophobicContact CD2-CB 4.48Å; L8-I81 HydrophobicContact CB-CD1 4.19Å; L8-I81 HydrophobicContact CD1-CD1 3.99Å
9S98.1Very high92.3Very high4 Ų431.7 Ų31.73%0.02821%0.205CC..EExtended strand (participates in β ladder)trans-136.5133-179.4-64.90000108.9N33 F76 K78 H80 I81S9-N33 CarbonylContact C-O 3.58Å; S9-N33 VanDerWaalsContact CA-O 3.3Å; S9-N33 WeakPolarHBondContact CA-O 3.38Å; S9-N33 PolarHBondContact OG-ND2 3.34Å; S9-F76 WeakPolarHBondContact OG-CB 3.3Å; S9-K78 WeakPolarHBondContact CB-O 3.36Å; S9-K78 PolarHBondContact OG-O 3.43Å; S9-H80 PolarHBondContact N-ND1 3.48Å; S9-H80 PolarHBondContact O-N 3.28Å; S9-I81 PolarHBondContact O-N 3.18Å; S9-I81 VanDerWaalsContact O-N 3.15Å
10A98.7Very high92.7Very high0 Ų030.2 Ų30.20%020%0.195CC..EExtended strand (participates in β ladder)trans-127.6147.2-174.300000111.5L27 N33 V34 L35 I81A10-L27 HydrophobicContact CB-CD1 3.8Å; A10-N33 PolarHBondContact N-O 2.8Å; A10-V34 HydrophobicContact CB-CG2 4.45Å; A10-V34 CarbonylContact O-C 3.59Å; A10-V34 WeakPolarHBondContact O-CA 3.44Å; A10-L35 PolarHBondContact O-N 3.38Å; A10-I81 CarbonylContact C-O 3.54Å; A10-I81 VanDerWaalsContact CA-O 3.23Å; A10-I81 WeakPolarHBondContact CA-O 3.32Å; A10-I81 HydrophobicContact CB-CB 3.76Å; A10-I81 HydrophobicContact CB-CD1 4.34Å; A10-I81 HydrophobicContact CB-CG2 4.05Å
11I98.9Very high92.9Very high0 Ų030 Ų300%019%0.192CC..EExtended strand (participates in β ladder)trans-101.8129.9157.6-67.8172.2000107.5T13 L35 V69 A72 L79 I81 L82 V83 M122I11-T13 HydrophobicContact CG2-CG2 4.29Å; I11-L35 WeakPolarHBondContact CA-O 2.94Å; I11-L35 HydrophobicContact CG1-CB 4.25Å; I11-L35 HydrophobicContact CG1-CD2 4.28Å; I11-V69 HydrophobicContact CD1-CG2 4.18Å; I11-A72 HydrophobicContact CD1-CB 3.81Å; I11-A72 HydrophobicContact CG1-CB 4.06Å; I11-L79 HydrophobicContact CB-CD1 4.46Å; I11-L79 HydrophobicContact CD1-CD1 4.12Å; I11-L79 HydrophobicContact CD1-CD2 3.76Å; I11-L79 HydrophobicContact CG1-CD1 3.79Å; I11-L79 HydrophobicContact CG1-CD2 4.34Å; I11-I81 PolarHBondContact N-O 2.99Å; I11-L82 HydrophobicContact CB-CD1 3.9Å; I11-L82 HydrophobicContact CG2-CD1 3.77Å; I11-V83 PolarHBondContact O-N 2.85Å; I11-M122 HydrophobicContact CG2-CE 3.9Å
12V98.9Very high95Very high0 Ų027.9 Ų27.90%018%0.183CC..EExtended strand (participates in β ladder)trans-120.5110.9172.2-1770000108.7T23 L27 V34 L35 C37 V83V12-T23 HydrophobicContact CG2-CG2 4.34Å; V12-L27 HydrophobicContact CG2-CD1 3.86Å; V12-V34 HydrophobicContact CB-CG1 4.2Å; V12-V34 HydrophobicContact CG2-CG1 3.72Å; V12-L35 PolarHBondContact N-O 2.81Å; V12-C37 PolarHBondContact O-N 2.89Å; V12-V83 WeakPolarHBondContact CA-O 3.44Å; V12-V83 HydrophobicContact CG1-CB 4.48Å; V12-V83 HydrophobicContact CG2-CB 4.3Å; V12-V83 HydrophobicContact CG2-CG2 4.38Å
13T98.9Very high96.3Very high1 Ų126.5 Ų26.51%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-83.2144.7174.777.60000109.9I11 G15 C37 V59 L82 V83 N84 C85 A86 M122I11-T13 HydrophobicContact CG2-CG2 4.29Å; T13-G15 PolarHBondContact O-N 3.09Å; T13-C37 CarbonylContact C-O 3.58Å; T13-C37 VanDerWaalsContact CA-O 3.25Å; T13-C37 WeakPolarHBondContact CA-O 3.16Å; T13-C37 HydrophobicContact CG2-CB 4.35Å; T13-V59 HydrophobicContact CG2-CG1 3.99Å; T13-L82 HydrophobicContact CG2-CD1 4.39Å; T13-V83 PolarHBondContact N-O 3.37Å; T13-N84 VanDerWaalsContact OG1-CA 3.3Å; T13-N84 WeakPolarHBondContact OG1-CA 3.42Å; T13-C85 CarbonylContact O-C 3.53Å; T13-C85 WeakPolarHBondContact O-CA 3.36Å; T13-C85 WeakPolarHBondContact O-CB 3.38Å; T13-C85 PolarHBondContact O-N 3.36Å; T13-C85 VanDerWaalsContact O-N 3.12Å; T13-C85 PolarHBondContact OG1-N 2.95Å; T13-C85 VanDerWaalsContact OG1-N 3.13Å; T13-A86 PolarHBondContact O-N 3.4Å; T13-A86 VanDerWaalsContact O-N 3.11Å; T13-A86 WeakPolarHBondContact OG1-CB 3.35Å; T13-A86 PolarHBondContact OG1-N 3.14Å; T13-A86 VanDerWaalsContact OG1-N 3.09Å; T13-M122 HydrophobicContact CG2-CB 4.44Å; T13-M122 HydrophobicContact CG2-CE 4.02Å; T13-M122 HydrophobicContact CG2-CG 3.92Å
14G98.6Very high97.4Very high10 Ų1021.5 Ų21.510%0.10314%0.136CC..THydrogen-bonded Turntrans66.119.6-170.900000112.2S16 S17 G20 C37 D38G14-S16 PolarHBondContact O-N 2.67Å; G14-S17 PolarHBondContact O-N 3.19Å; G14-G20 WeakPolarHBondContact O-CA 3.37Å; G14-C37 PolarHBondContact N-O 2.94Å; G14-D38 WeakPolarHBondContact CA-OD2 3.44Å
15G98.5Very high97.9Very high0 Ų022.8 Ų22.80%013%0.133CC..THydrogen-bonded Turntrans-74-1.4-170.600000114.6T13 L21 T24 V36 D38T13-G15 PolarHBondContact O-N 3.09Å; G15-L21 VanDerWaalsContact O-CA 3.27Å; G15-L21 WeakPolarHBondContact O-CA 3.22Å; G15-T24 PolarHBondContact O-OG1 3.12Å; G15-V36 VanDerWaalsContact C-CG1 3.41Å; G15-D38 PolarHBondContact N-OD2 3.16Å
16S98.1Very high98.1Very high11 Ų1125 Ų258%0.07714%0.143CC..THydrogen-bonded Turntrans-90-11.6175.1-68.70000113.2G14 D38 Q40 S42 L45G14-S16 PolarHBondContact O-N 2.67Å; S16-D38 VanDerWaalsContact CB-OD2 3.24Å; S16-D38 WeakPolarHBondContact CB-OD2 3.3Å; S16-D38 PolarHBondContact N-OD2 2.87Å; S16-D38 WeakPolarHBondContact OG-CB 3.37Å; S16-Q40 WeakPolarHBondContact CB-O 3.48Å; S16-Q40 PolarHBondContact OG-O 2.98Å; S16-S42 WeakPolarHBondContact O-CB 3.47Å; S16-S42 PolarHBondContact OG-N 2.92Å; S16-L45 WeakPolarHBondContact OG-CD1 3.44Å
17S97.8Very high98.2Very high55 Ų5517.2 Ų17.239%0.38511%0.109SC..SBendtrans-142.5158.9-176-171.80000113.8G14 L19 G20 L21 P198G14-S17 PolarHBondContact O-N 3.19Å; S17-L19 PolarHBondContact O-N 3.39Å; S17-G20 PolarHBondContact O-N 3.27Å; S17-G20 VanDerWaalsContact O-N 3.14Å; S17-L21 PolarHBondContact O-N 3.23Å; S17-P198 WeakPolarHBondContact OG-CG 3.45Å
18G97.3Very high98.4Very high15 Ų1516 Ų1616%0.1559%0.091CC..Hα-helixtrans47.1-125.7169.800000114.7G20 L21 A22G18-G20 VanDerWaalsContact C-N 3.34Å; G18-G20 PolarHBondContact O-N 2.97Å; G18-L21 PolarHBondContact O-N 3.48Å; G18-A22 PolarHBondContact O-N 3.45Å; G18-A22 VanDerWaalsContact O-N 3.08Å
19L98.6Very high98.4Very high24 Ų2419.3 Ų19.313%0.12612%0.12CC..Hα-helixtrans-61.5-40-178.4-57.3-173.8000112.7S17 T23 T147 P192 F195 T197 P222 F225S17-L19 PolarHBondContact O-N 3.39Å; L19-T23 WeakPolarHBondContact O-CB 3.28Å; L19-T23 PolarHBondContact O-N 2.8Å; L19-T23 PolarHBondContact O-OG1 2.97Å; L19-T147 HydrophobicContact CD1-CG2 4.17Å; L19-P192 HydrophobicContact CD1-CB 4.42Å; L19-P192 HydrophobicContact CD1-CG 3.97Å; L19-F195 HydrophobicContact CD2-CB 3.89Å; L19-F195 HydrophobicContact CD2-CD1 3.65Å; L19-F195 HydrophobicContact CD2-CE1 4.43Å; L19-F195 HydrophobicContact CD2-CG 3.86Å; L19-T197 HydrophobicContact CD2-CG2 3.88Å; L19-T197 HydrophobicContact CG-CG2 4.02Å; L19-P222 HydrophobicContact CD2-CB 4.2Å; L19-P222 HydrophobicContact CD2-CG 4.49Å; L19-F225 HydrophobicContact CB-CD1 3.89Å; L19-F225 HydrophobicContact CB-CE1 4.14Å; L19-F225 HydrophobicContact CB-CG 4.18Å; L19-F225 HydrophobicContact CD1-CD2 3.84Å; L19-F225 HydrophobicContact CD1-CE2 4.02Å; L19-F225 HydrophobicContact CD1-CG 4.1Å; L19-F225 HydrophobicContact CD1-CZ 4.44Å; L19-F225 HydrophobicContact CD2-CB 3.83Å; L19-F225 HydrophobicContact CD2-CD2 4.48Å; L19-F225 HydrophobicContact CD2-CG 4.05Å; L19-F225 HydrophobicContact CG-CG 4.33Å
20G98.7Very high98.4Very high1 Ų122.8 Ų22.81%0.0114%0.136CC..Hα-helixtrans-65.7-45178.200000111.3G14 S17 G18 A22 T23 T24G14-G20 WeakPolarHBondContact O-CA 3.37Å; S17-G20 PolarHBondContact O-N 3.27Å; S17-G20 VanDerWaalsContact O-N 3.14Å; G18-G20 VanDerWaalsContact C-N 3.34Å; G18-G20 PolarHBondContact O-N 2.97Å; G20-A22 PolarHBondContact O-N 3.17Å; G20-T23 WeakPolarHBondContact O-CB 2.81Å; G20-T23 PolarHBondContact O-N 3.23Å; G20-T24 PolarHBondContact O-N 3.25Å; G20-T24 PolarHBondContact O-OG1 2.79Å
21L98.6Very high98.3Very high26 Ų2623.9 Ų23.914%0.13615%0.147CC..Hα-helixtrans-62.2-43.8177-179.260.7000112.6G15 S17 G18 T23 T24 K25 L45G15-L21 VanDerWaalsContact O-CA 3.27Å; G15-L21 WeakPolarHBondContact O-CA 3.22Å; S17-L21 PolarHBondContact O-N 3.23Å; G18-L21 PolarHBondContact O-N 3.48Å; L21-T23 VanDerWaalsContact C-N 3.27Å; L21-T23 PolarHBondContact O-N 2.86Å; L21-T24 WeakPolarHBondContact O-CB 3.31Å; L21-T24 PolarHBondContact O-N 2.64Å; L21-K25 HydrophobicContact CD1-CG 4.45Å; L21-K25 WeakPolarHBondContact O-CG 3.25Å; L21-K25 PolarHBondContact O-N 3.07Å; L21-L45 HydrophobicContact CD1-CD2 3.73Å
22A98.7Very high98.2Very high8 Ų823.9 Ų23.97%0.06615%0.147CC..Hα-helixtrans-62.8-37.7176.200000111.7G18 G20 K25 K26 P222 A226G18-A22 PolarHBondContact O-N 3.45Å; G18-A22 VanDerWaalsContact O-N 3.08Å; G20-A22 PolarHBondContact O-N 3.17Å; A22-K25 PolarHBondContact O-N 3.08Å; A22-K26 WeakPolarHBondContact O-CB 3.12Å; A22-K26 PolarHBondContact O-N 2.91Å; A22-P222 VanDerWaalsContact CB-C 3.49Å; A22-P222 HydrophobicContact CB-CB 3.38Å; A22-P222 WeakPolarHBondContact CB-O 3.45Å; A22-A226 HydrophobicContact CB-CB 4.37Å
23T98.9Very high98.2Very high1 Ų125.7 Ų25.71%0.00616%0.157CC..Hα-helixtrans-64.2-48173.7-57.20000111.5V12 L19 G20 L21 K25 K26 L27 V83 V229V12-T23 HydrophobicContact CG2-CG2 4.34Å; L19-T23 WeakPolarHBondContact O-CB 3.28Å; L19-T23 PolarHBondContact O-N 2.8Å; L19-T23 PolarHBondContact O-OG1 2.97Å; G20-T23 WeakPolarHBondContact O-CB 2.81Å; G20-T23 PolarHBondContact O-N 3.23Å; L21-T23 VanDerWaalsContact C-N 3.27Å; L21-T23 PolarHBondContact O-N 2.86Å; T23-K25 VanDerWaalsContact C-N 3.35Å; T23-K25 PolarHBondContact O-N 3.44Å; T23-K26 PolarHBondContact O-N 3.42Å; T23-L27 HydrophobicContact CG2-CD1 3.92Å; T23-L27 HydrophobicContact CG2-CG 4.25Å; T23-L27 WeakPolarHBondContact O-CG 3.3Å; T23-L27 PolarHBondContact O-N 3.09Å; T23-V83 HydrophobicContact CG2-CB 4.43Å; T23-V83 HydrophobicContact CG2-CG1 4.24Å; T23-V83 HydrophobicContact CG2-CG2 4.15Å; T23-V229 HydrophobicContact CG2-CB 4.35Å; T23-V229 HydrophobicContact CG2-CG1 3.82Å; T23-V229 HydrophobicContact CG2-CG2 4.32Å
24T98.8Very high98.2Very high0 Ų025.6 Ų25.60%016%0.157CC..Hα-helixtrans-53.5-51.5174.9-60.30000110.9G15 G20 L21 K26 L27 I28 V34 V36 L45 L48G15-T24 PolarHBondContact O-OG1 3.12Å; G20-T24 PolarHBondContact O-N 3.25Å; G20-T24 PolarHBondContact O-OG1 2.79Å; L21-T24 WeakPolarHBondContact O-CB 3.31Å; L21-T24 PolarHBondContact O-N 2.64Å; T24-K26 PolarHBondContact O-N 3.09Å; T24-L27 PolarHBondContact O-N 3.29Å; T24-I28 HydrophobicContact CG2-CG1 4.4Å; T24-I28 WeakPolarHBondContact O-CB 3.33Å; T24-I28 VanDerWaalsContact O-CG1 3.26Å; T24-I28 WeakPolarHBondContact O-CG1 3.44Å; T24-I28 PolarHBondContact O-N 3.34Å; T24-V34 HydrophobicContact CG2-CB 4.48Å; T24-V34 HydrophobicContact CG2-CG1 4.04Å; T24-V36 HydrophobicContact CG2-CG2 3.53Å; T24-L45 HydrophobicContact CG2-CD2 4.05Å; T24-L48 HydrophobicContact CG2-CD1 3.81Å
25K98.5Very high98.2Very high92 Ų9225.1 Ų25.140%0.415%0.152SC..Hα-helixtrans-58.1-46.4179.1-73.9-176.9175.1-172.10112L21 A22 T23 A29 V44 L48L21-K25 HydrophobicContact CD1-CG 4.45Å; L21-K25 WeakPolarHBondContact O-CG 3.25Å; L21-K25 PolarHBondContact O-N 3.07Å; A22-K25 PolarHBondContact O-N 3.08Å; T23-K25 VanDerWaalsContact C-N 3.35Å; T23-K25 PolarHBondContact O-N 3.44Å; K25-A29 VanDerWaalsContact O-CB 3.32Å; K25-A29 WeakPolarHBondContact O-CB 3.49Å; K25-A29 PolarHBondContact O-N 3.33Å; K25-V44 VanDerWaalsContact CE-CG1 3.42Å; K25-L48 HydrophobicContact CG-CD1 4.14Å; K25-L48 HydrophobicContact CG-CD2 4.08Å
26K98.3Very high98.2Very high50 Ų5025.1 Ų25.122%0.21715%0.152CC..Hα-helixtrans-62.6-48.3179.5176.758.7178.9169.10111.5A22 T23 T24 I28 A29 E30 A226 E230A22-K26 WeakPolarHBondContact O-CB 3.12Å; A22-K26 PolarHBondContact O-N 2.91Å; T23-K26 PolarHBondContact O-N 3.42Å; T24-K26 PolarHBondContact O-N 3.09Å; K26-I28 PolarHBondContact O-N 3.04Å; K26-A29 PolarHBondContact O-N 3.18Å; K26-E30 HydrophobicContact CD-CG 4.18Å; K26-E30 IonicContact NZ-OE1 3.64Å; K26-E30 PolarHBondContact NZ-OE1 2.81Å; K26-E30 WeakPolarHBondContact O-CG 3.34Å; K26-E30 PolarHBondContact O-N 3.25Å; K26-E30 VanDerWaalsContact O-N 3.11Å; K26-A226 HydrophobicContact CB-CB 3.81Å; K26-A226 HydrophobicContact CG-CB 4.18Å; K26-E230 VanDerWaalsContact CE-OE1 3.3Å; K26-E230 WeakPolarHBondContact CE-OE1 3.29Å; K26-E230 WeakPolarHBondContact CE-OE2 3.31Å; K26-E230 IonicContact NZ-OE1 3.41Å; K26-E230 PolarHBondContact NZ-OE1 3.25Å; K26-E230 IonicContact NZ-OE2 3.48Å; K26-E230 PolarHBondContact NZ-OE2 2.89Å
27L98.5Very high98.2Very high2 Ų224.6 Ų24.61%0.0115%0.148CC..Hα-helixtrans-61.8-44.8179.4-69.3176.9000112L5 A10 V12 T23 T24 A29 E30 G31 C32 V34 I233L5-L27 HydrophobicContact CD1-CD2 4.06Å; L5-L27 HydrophobicContact CD2-CD2 4.04Å; A10-L27 HydrophobicContact CB-CD1 3.8Å; V12-L27 HydrophobicContact CG2-CD1 3.86Å; T23-L27 HydrophobicContact CG2-CD1 3.92Å; T23-L27 HydrophobicContact CG2-CG 4.25Å; T23-L27 WeakPolarHBondContact O-CG 3.3Å; T23-L27 PolarHBondContact O-N 3.09Å; T24-L27 PolarHBondContact O-N 3.29Å; L27-A29 VanDerWaalsContact C-N 3.35Å; L27-A29 PolarHBondContact O-N 3Å; L27-E30 PolarHBondContact O-N 3.34Å; L27-G31 PolarHBondContact O-N 3.14Å; L27-C32 HydrophobicContact CB-CB 3.98Å; L27-C32 WeakPolarHBondContact O-CB 3.31Å; L27-C32 PolarHBondContact O-N 3.18Å; L27-V34 HydrophobicContact CB-CG2 3.69Å; L27-V34 HydrophobicContact CD1-CG2 4.31Å; L27-I233 HydrophobicContact CD2-CD1 3.87Å
28I98.1Very high98.3Very high23 Ų2323.6 Ų23.612%0.11814%0.138CC..Hα-helixtrans-60.3-45.1175.8-67.8-70000111T24 K26 E30 G31 V34 L48 N51 C52T24-I28 HydrophobicContact CG2-CG1 4.4Å; T24-I28 WeakPolarHBondContact O-CB 3.33Å; T24-I28 VanDerWaalsContact O-CG1 3.26Å; T24-I28 WeakPolarHBondContact O-CG1 3.44Å; T24-I28 PolarHBondContact O-N 3.34Å; K26-I28 PolarHBondContact O-N 3.04Å; I28-E30 PolarHBondContact O-N 2.87Å; I28-G31 PolarHBondContact O-N 2.86Å; I28-V34 HydrophobicContact CD1-CB 3.9Å; I28-V34 HydrophobicContact CD1-CG2 3.71Å; I28-V34 HydrophobicContact CG1-CB 4.26Å; I28-V34 HydrophobicContact CG1-CG2 3.85Å; I28-L48 HydrophobicContact CG2-CB 4.33Å; I28-L48 WeakPolarHBondContact CG2-O 3.38Å; I28-N51 VanDerWaalsContact CD1-C 3.49Å; I28-N51 HydrophobicContact CD1-CB 3.85Å; I28-N51 WeakPolarHBondContact CD1-O 3.27Å; I28-C52 HydrophobicContact CD1-CB 3.84Å; I28-C52 HydrophobicContact CG1-CB 4.34Å
29A97.4Very high98.3Very high82 Ų8227.8 Ų27.868%0.67816%0.156SC*.Hα-helixtrans-61.4-31.8179.900000112.9K25 K26 L27 G31K25-A29 VanDerWaalsContact O-CB 3.32Å; K25-A29 WeakPolarHBondContact O-CB 3.49Å; K25-A29 PolarHBondContact O-N 3.33Å; K26-A29 PolarHBondContact O-N 3.18Å; L27-A29 VanDerWaalsContact C-N 3.35Å; L27-A29 PolarHBondContact O-N 3Å; A29-G31 PolarHBondContact O-N 2.73Å
30E97.3Very high98.2Very high77 Ų7734 Ų3436%0.3619%0.185SC..THydrogen-bonded Turntrans-84.77.5175.8-60.1-64.5156.500113.3L5 K6 K26 L27 I28L5-E30 HydrophobicContact CB-CB 3.76Å; L5-E30 HydrophobicContact CD1-CB 3.61Å; L5-E30 HydrophobicContact CD1-CG 3.76Å; L5-E30 HydrophobicContact CG-CB 4.3Å; K6-E30 WeakPolarHBondContact CA-O 3.45Å; K6-E30 PolarHBondContact N-O 2.95Å; K26-E30 HydrophobicContact CD-CG 4.18Å; K26-E30 IonicContact NZ-OE1 3.64Å; K26-E30 PolarHBondContact NZ-OE1 2.81Å; K26-E30 WeakPolarHBondContact O-CG 3.34Å; K26-E30 PolarHBondContact O-N 3.25Å; K26-E30 VanDerWaalsContact O-N 3.11Å; L27-E30 PolarHBondContact O-N 3.34Å; I28-E30 PolarHBondContact O-N 2.87Å
31G96.5Very high98.2Very high23 Ų2339 Ų3924%0.23721%0.207CC..THydrogen-bonded Turntrans83.817.5175.100000115G7 L27 I28 A29G7-G31 PolarHBondContact N-O 3.29Å; L27-G31 PolarHBondContact O-N 3.14Å; I28-G31 PolarHBondContact O-N 2.86Å; A29-G31 PolarHBondContact O-N 2.73Å
32C97.6Very high98.1Very high0 Ų038.8 Ų38.80%021%0.207CC..  trans-77.4151.9171.9-165.40000110.4L8 L27L8-C32 CarbonylContact O-C 3.54Å; L8-C32 WeakPolarHBondContact O-CA 3.35Å; L8-C32 PolarHBondContact O-SG 2.86Å; L27-C32 HydrophobicContact CB-CB 3.98Å; L27-C32 WeakPolarHBondContact O-CB 3.31Å; L27-C32 PolarHBondContact O-N 3.18Å
33N98.1Very high97.9Very high38 Ų3843.5 Ų43.520%0.20324%0.237CC..EExtended strand (participates in β ladder)trans-85.9138.8161.6-51.3-68.4000108.9L8 S9 A10 N51 F76L8-N33 PolarHBondContact O-N 3.35Å; L8-N33 PolarHBondContact O-ND2 3.31Å; S9-N33 CarbonylContact C-O 3.58Å; S9-N33 VanDerWaalsContact CA-O 3.3Å; S9-N33 WeakPolarHBondContact CA-O 3.38Å; S9-N33 PolarHBondContact OG-ND2 3.34Å; A10-N33 PolarHBondContact N-O 2.8Å; N33-N51 CarbonylContact C-O 3.55Å; N33-N51 WeakPolarHBondContact CA-O 3.4Å; N33-F76 HydrophobicContact CB-CD1 3.74Å; N33-F76 HydrophobicContact CB-CE1 3.53Å; N33-F76 HydrophobicContact CB-CE2 4.47Å; N33-F76 HydrophobicContact CB-CG 4.38Å; N33-F76 HydrophobicContact CB-CZ 3.92Å
34V98.6Very high97.8Very high0 Ų045.3 Ų45.30%025%0.248CC..EExtended strand (participates in β ladder)trans-132.4124.2-177.2-174.60000110.2A10 V12 T24 L27 I28 V36 N51 C52 V53A10-V34 HydrophobicContact CB-CG2 4.45Å; A10-V34 CarbonylContact O-C 3.59Å; A10-V34 WeakPolarHBondContact O-CA 3.44Å; V12-V34 HydrophobicContact CB-CG1 4.2Å; V12-V34 HydrophobicContact CG2-CG1 3.72Å; T24-V34 HydrophobicContact CG2-CB 4.48Å; T24-V34 HydrophobicContact CG2-CG1 4.04Å; L27-V34 HydrophobicContact CB-CG2 3.69Å; L27-V34 HydrophobicContact CD1-CG2 4.31Å; I28-V34 HydrophobicContact CD1-CB 3.9Å; I28-V34 HydrophobicContact CD1-CG2 3.71Å; I28-V34 HydrophobicContact CG1-CB 4.26Å; I28-V34 HydrophobicContact CG1-CG2 3.85Å; V34-V36 HydrophobicContact CG1-CG2 4.1Å; V34-N51 PolarHBondContact N-O 3.22Å; V34-C52 WeakPolarHBondContact O-CA 3.12Å; V34-V53 PolarHBondContact O-N 3.37Å
35L98.7Very high97.7Very high0 Ų045.5 Ų45.50%025%0.249CC..EExtended strand (participates in β ladder)trans-92.1111.9161.2-177.671.4000108.7A10 I11 V12 V53 C55 A68 L71 A72 F76A10-L35 PolarHBondContact O-N 3.38Å; I11-L35 WeakPolarHBondContact CA-O 2.94Å; I11-L35 HydrophobicContact CG1-CB 4.25Å; I11-L35 HydrophobicContact CG1-CD2 4.28Å; V12-L35 PolarHBondContact N-O 2.81Å; L35-V53 CarbonylContact C-O 3.6Å; L35-V53 WeakPolarHBondContact CA-O 3.18Å; L35-V53 HydrophobicContact CD1-CB 3.76Å; L35-V53 HydrophobicContact CD1-CG1 3.57Å; L35-C55 HydrophobicContact CD1-CB 4.07Å; L35-C55 HydrophobicContact CD2-CB 4.5Å; L35-C55 HydrophobicContact CG-CB 4.46Å; L35-A68 HydrophobicContact CD2-CB 4.45Å; L35-A68 WeakPolarHBondContact CD2-O 3.4Å; L35-L71 HydrophobicContact CD1-CD2 3.91Å; L35-L71 HydrophobicContact CD1-CG 4.35Å; L35-A72 HydrophobicContact CD2-CB 3.81Å; L35-F76 HydrophobicContact CB-CE2 3.67Å; L35-F76 HydrophobicContact CB-CZ 4.21Å
36V98.8Very high97.6Very high0 Ų044.9 Ų44.90%026%0.256CS..EExtended strand (participates in β ladder)trans-83.3120.6172.2177.50000109.5G15 T24 V34 D38 L45 V53 F54 C55G15-V36 VanDerWaalsContact C-CG1 3.41Å; T24-V36 HydrophobicContact CG2-CG2 3.53Å; V34-V36 HydrophobicContact CG1-CG2 4.1Å; V36-D38 HydrophobicContact CG1-CB 4.43Å; V36-L45 HydrophobicContact CB-CD1 4.04Å; V36-L45 HydrophobicContact CG1-CD1 3.73Å; V36-L45 HydrophobicContact CG2-CD1 4.15Å; V36-L45 HydrophobicContact CG2-CD2 4.04Å; V36-V53 PolarHBondContact N-O 3.48Å; V36-F54 HydrophobicContact CB-CD2 4.27Å; V36-F54 HydrophobicContact CG1-CD2 4.05Å; V36-F54 HydrophobicContact CG1-CE2 4.46Å; V36-C55 PolarHBondContact O-N 2.93Å
37C98.8Very high97.5Very high0 Ų050 Ų500%028%0.281CS..EExtended strand (participates in β ladder)trans-108.4112.6174.5-60.30000108.8V12 T13 G14 C55 T57V12-C37 PolarHBondContact O-N 2.89Å; T13-C37 CarbonylContact C-O 3.58Å; T13-C37 VanDerWaalsContact CA-O 3.25Å; T13-C37 WeakPolarHBondContact CA-O 3.16Å; T13-C37 HydrophobicContact CG2-CB 4.35Å; G14-C37 PolarHBondContact N-O 2.94Å; C37-C55 WeakPolarHBondContact CA-O 3.29Å; C37-T57 HydrophobicContact CB-CG2 4.2Å
38D98.7Very high97.3Very high33 Ų3351.6 Ų51.618%0.17629%0.289CS..EExtended strand (participates in β ladder)trans-153.6164.5-179.9-146.3-47.6000109.8G14 G15 S16 V36 Q40 F54 C55 E56 T57G14-D38 WeakPolarHBondContact CA-OD2 3.44Å; G15-D38 PolarHBondContact N-OD2 3.16Å; S16-D38 VanDerWaalsContact CB-OD2 3.24Å; S16-D38 WeakPolarHBondContact CB-OD2 3.3Å; S16-D38 PolarHBondContact N-OD2 2.87Å; S16-D38 WeakPolarHBondContact OG-CB 3.37Å; V36-D38 HydrophobicContact CG1-CB 4.43Å; D38-Q40 VanDerWaalsContact C-N 3.27Å; D38-Q40 PolarHBondContact O-N 3.4Å; D38-F54 HydrophobicContact CB-CE2 4Å; D38-C55 PolarHBondContact N-O 3.12Å; D38-E56 CarbonylContact O-C 3.44Å; D38-E56 VanDerWaalsContact O-CA 3.28Å; D38-E56 WeakPolarHBondContact O-CA 3.21Å; D38-T57 CarbonylContact C-O 3.56Å; D38-T57 PolarHBondContact O-N 2.98Å
39L98.1Very high97.1Very high103 Ų10352.6 Ų52.654%0.53931%0.305SS..SBendtrans-71.2-27.3176.2-67.3174.5000111.9D58L39-D58 HydrophobicContact CD2-CB 3.81Å
40Q97.3Very high97Very high156 Ų15654 Ų5473%0.72931%0.31SS*.SBendtrans-138.5139.1-177.8-63.9-178.3-2.300110.4S16 D38 S42S16-Q40 WeakPolarHBondContact CB-O 3.48Å; S16-Q40 PolarHBondContact OG-O 2.98Å; D38-Q40 VanDerWaalsContact C-N 3.27Å; D38-Q40 PolarHBondContact O-N 3.4Å; Q40-S42 PolarHBondContact O-N 3.08Å
41K97.6Very high96.9Very high106 Ų10653.2 Ų53.246%0.46131%0.308SS..  trans-78.1119.8176.3-169.2-179.9175.6-175.70109.8L45 S46 F54K41-L45 HydrophobicContact CG-CB 4.48Å; K41-L45 HydrophobicContact CG-CD1 4.07Å; K41-S46 PolarHBondContact NZ-OG 3.04Å; K41-F54 HydrophobicContact CB-CD1 3.77Å; K41-F54 HydrophobicContact CB-CD2 4Å; K41-F54 HydrophobicContact CB-CE1 3.66Å; K41-F54 HydrophobicContact CB-CE2 3.91Å; K41-F54 HydrophobicContact CB-CG 3.93Å; K41-F54 HydrophobicContact CB-CZ 3.74Å; K41-F54 HydrophobicContact CD-CB 4.05Å; K41-F54 HydrophobicContact CD-CD1 3.99Å; K41-F54 HydrophobicContact CD-CG 3.96Å; K41-F54 HydrophobicContact CG-CB 4.16Å; K41-F54 HydrophobicContact CG-CD1 3.93Å; K41-F54 HydrophobicContact CG-CD2 3.9Å; K41-F54 HydrophobicContact CG-CE1 4.34Å; K41-F54 HydrophobicContact CG-CE2 4.32Å; K41-F54 HydrophobicContact CG-CG 3.7Å
42S96.2Very high97Very high20 Ų2053 Ų5314%0.1430%0.303CS..  trans-68136.8169.2169.40000110.8S16 Q40 V44 L45S16-S42 WeakPolarHBondContact O-CB 3.47Å; S16-S42 PolarHBondContact OG-N 2.92Å; Q40-S42 PolarHBondContact O-N 3.08Å; S42-V44 PolarHBondContact O-N 3.49Å; S42-V44 VanDerWaalsContact O-N 3.17Å; S42-V44 PolarHBondContact OG-N 3.15Å; S42-L45 WeakPolarHBondContact O-CB 3.49Å; S42-L45 PolarHBondContact O-N 2.92Å
43P96.1Very high97Very high107 Ų10754.4 Ų54.470%0.69531%0.312SS*.G310 helixtrans-54.2-35.6176.8-26.834.8000112.9L45 S46P43-L45 PolarHBondContact O-N 3.39Å; P43-L45 VanDerWaalsContact O-N 3.16Å; P43-S46 PolarHBondContact O-N 3.43Å; P43-S46 VanDerWaalsContact O-N 3.15Å
44V96.2Very high97Very high39 Ų3955 Ų5524%0.23631%0.312CS..G310 helixtrans-60.3-26.7-179.5-178.50000112.3K25 S42 S46 E47K25-V44 VanDerWaalsContact CE-CG1 3.42Å; S42-V44 PolarHBondContact O-N 3.49Å; S42-V44 VanDerWaalsContact O-N 3.17Å; S42-V44 PolarHBondContact OG-N 3.15Å; V44-S46 PolarHBondContact O-N 3.34Å; V44-E47 WeakPolarHBondContact O-CB 3.31Å; V44-E47 PolarHBondContact O-N 3.26Å; V44-E47 VanDerWaalsContact O-N 3.09Å
45L97.2Very high97Very high4 Ų455.2 Ų55.22%0.02131%0.314CS..G310 helixtrans-64.2-27.1-179.8-62.5-178.5000112.7S16 L21 T24 V36 K41 S42 P43 E47 L48 F54S16-L45 WeakPolarHBondContact OG-CD1 3.44Å; L21-L45 HydrophobicContact CD1-CD2 3.73Å; T24-L45 HydrophobicContact CG2-CD2 4.05Å; V36-L45 HydrophobicContact CB-CD1 4.04Å; V36-L45 HydrophobicContact CG1-CD1 3.73Å; V36-L45 HydrophobicContact CG2-CD1 4.15Å; V36-L45 HydrophobicContact CG2-CD2 4.04Å; K41-L45 HydrophobicContact CG-CB 4.48Å; K41-L45 HydrophobicContact CG-CD1 4.07Å; S42-L45 WeakPolarHBondContact O-CB 3.49Å; S42-L45 PolarHBondContact O-N 2.92Å; P43-L45 PolarHBondContact O-N 3.39Å; P43-L45 VanDerWaalsContact O-N 3.16Å; L45-E47 PolarHBondContact O-N 3.39Å; L45-L48 HydrophobicContact CD2-CD1 3.89Å; L45-L48 PolarHBondContact O-N 2.87Å; L45-F54 HydrophobicContact CD1-CD2 3.95Å
46S95Very high97Very high80 Ų8061.1 Ų61.156%0.55934%0.341SS*.G310 helixtrans-70.4-19.9177.6-570000112.6K41 P43 V44K41-S46 PolarHBondContact NZ-OG 3.04Å; P43-S46 PolarHBondContact O-N 3.43Å; P43-S46 VanDerWaalsContact O-N 3.15Å; V44-S46 PolarHBondContact O-N 3.34Å
47E95.8Very high97Very high156 Ų15661.2 Ų61.273%0.72934%0.342SS*.G310 helixtrans-85.6-11.4178.4-58.8171.2-171.500112.3V44 L45 G49V44-E47 WeakPolarHBondContact O-CB 3.31Å; V44-E47 PolarHBondContact O-N 3.26Å; V44-E47 VanDerWaalsContact O-N 3.09Å; L45-E47 PolarHBondContact O-N 3.39Å; E47-G49 VanDerWaalsContact C-N 3.29Å; E47-G49 PolarHBondContact O-N 3.28Å
48L96.3Very high97Very high36 Ų3663.7 Ų63.719%0.18836%0.355CS..G310 helixtrans-84.71.4-175.2-58.4-175.4000113.9T24 K25 I28 L45 C52T24-L48 HydrophobicContact CG2-CD1 3.81Å; K25-L48 HydrophobicContact CG-CD1 4.14Å; K25-L48 HydrophobicContact CG-CD2 4.08Å; I28-L48 HydrophobicContact CG2-CB 4.33Å; I28-L48 WeakPolarHBondContact CG2-O 3.38Å; L45-L48 HydrophobicContact CD2-CD1 3.89Å; L45-L48 PolarHBondContact O-N 2.87Å; L48-C52 HydrophobicContact CB-CB 3.74Å
49G93.7Very high97Very high44 Ų4462.4 Ų62.445%0.45435%0.349SS..  trans77.4-175.8176.600000114.7E47 N51 C52E47-G49 VanDerWaalsContact C-N 3.29Å; E47-G49 PolarHBondContact O-N 3.28Å; G49-N51 PolarHBondContact O-N 3.47Å; G49-C52 PolarHBondContact O-N 2.63Å; G49-C52 VanDerWaalsContact O-N 3.11Å
50S94.3Very high97Very high111 Ų11158 Ų5878%0.77633%0.329SS*.THydrogen-bonded Turntrans-65.5-19.9-170.656.30000114.9C52S50-C52 PolarHBondContact O-N 2.98Å
51N96.2Very high97.1Very high62 Ų6251.9 Ų51.933%0.33230%0.302SS..THydrogen-bonded Turntrans-75.8-9.3178.2-65.6-4000111.9I28 N33 V34 G49I28-N51 VanDerWaalsContact CD1-C 3.49Å; I28-N51 HydrophobicContact CD1-CB 3.85Å; I28-N51 WeakPolarHBondContact CD1-O 3.27Å; N33-N51 CarbonylContact C-O 3.55Å; N33-N51 WeakPolarHBondContact CA-O 3.4Å; V34-N51 PolarHBondContact N-O 3.22Å; G49-N51 PolarHBondContact O-N 3.47Å
52C98Very high97.1Very high18 Ų1851.1 Ų51.112%0.12230%0.301CS..EExtended strand (participates in β ladder)trans-103.8106.7176.7-173.20000110.2I28 V34 L48 G49 S50I28-C52 HydrophobicContact CD1-CB 3.84Å; I28-C52 HydrophobicContact CG1-CB 4.34Å; V34-C52 WeakPolarHBondContact O-CA 3.12Å; L48-C52 HydrophobicContact CB-CB 3.74Å; G49-C52 PolarHBondContact O-N 2.63Å; G49-C52 VanDerWaalsContact O-N 3.11Å; S50-C52 PolarHBondContact O-N 2.98Å
53V97.9Very high97.3Very high30 Ų3054 Ų5418%0.18232%0.32CS..EExtended strand (participates in β ladder)trans-104.1142.4176.2-176.30000108.7V34 L35 V36 L71 F76V34-V53 PolarHBondContact O-N 3.37Å; L35-V53 CarbonylContact C-O 3.6Å; L35-V53 WeakPolarHBondContact CA-O 3.18Å; L35-V53 HydrophobicContact CD1-CB 3.76Å; L35-V53 HydrophobicContact CD1-CG1 3.57Å; V36-V53 PolarHBondContact N-O 3.48Å; V53-L71 HydrophobicContact CG1-CD2 4.35Å; V53-F76 HydrophobicContact CB-CZ 4.47Å; V53-F76 HydrophobicContact CG2-CE1 4.26Å; V53-F76 HydrophobicContact CG2-CZ 4.17Å
54F98.4Very high97.4Very high49 Ų4951 Ų5122%0.21530%0.299CS..EExtended strand (participates in β ladder)trans-111.1138.4176.6176.2-99.8000111.2V36 D38 K41 L45 E56V36-F54 HydrophobicContact CB-CD2 4.27Å; V36-F54 HydrophobicContact CG1-CD2 4.05Å; V36-F54 HydrophobicContact CG1-CE2 4.46Å; D38-F54 HydrophobicContact CB-CE2 4Å; K41-F54 HydrophobicContact CB-CD1 3.77Å; K41-F54 HydrophobicContact CB-CD2 4Å; K41-F54 HydrophobicContact CB-CE1 3.66Å; K41-F54 HydrophobicContact CB-CE2 3.91Å; K41-F54 HydrophobicContact CB-CG 3.93Å; K41-F54 HydrophobicContact CB-CZ 3.74Å; K41-F54 HydrophobicContact CD-CB 4.05Å; K41-F54 HydrophobicContact CD-CD1 3.99Å; K41-F54 HydrophobicContact CD-CG 3.96Å; K41-F54 HydrophobicContact CG-CB 4.16Å; K41-F54 HydrophobicContact CG-CD1 3.93Å; K41-F54 HydrophobicContact CG-CD2 3.9Å; K41-F54 HydrophobicContact CG-CE1 4.34Å; K41-F54 HydrophobicContact CG-CE2 4.32Å; K41-F54 HydrophobicContact CG-CG 3.7Å; L45-F54 HydrophobicContact CD1-CD2 3.95Å; F54-E56 HydrophobicContact CE1-CB 4.01Å; F54-E56 HydrophobicContact CZ-CB 4.27Å
55C98.5Very high97.5Very high5 Ų549.1 Ų49.13%0.03429%0.288CS..EExtended strand (participates in β ladder)trans-129.6119168.4-161.60000110L35 V36 C37 D38 T57 A68 L71L35-C55 HydrophobicContact CD1-CB 4.07Å; L35-C55 HydrophobicContact CD2-CB 4.5Å; L35-C55 HydrophobicContact CG-CB 4.46Å; V36-C55 PolarHBondContact O-N 2.93Å; C37-C55 WeakPolarHBondContact CA-O 3.29Å; D38-C55 PolarHBondContact N-O 3.12Å; C55-T57 PolarHBondContact O-N 3.21Å; C55-T57 VanDerWaalsContact O-N 3.15Å; C55-T57 PolarHBondContact O-OG1 2.63Å; C55-A68 HydrophobicContact CB-CB 4.43Å; C55-L71 HydrophobicContact CB-CD2 3.85Å
56E98.6Very high97.6Very high124 Ų12453.2 Ų53.258%0.57931%0.305SS*.EExtended strand (participates in β ladder)trans-61.2118.1169.1-171.1179.8138.600109.4D38 F54D38-E56 CarbonylContact O-C 3.44Å; D38-E56 VanDerWaalsContact O-CA 3.28Å; D38-E56 WeakPolarHBondContact O-CA 3.21Å; F54-E56 HydrophobicContact CE1-CB 4.01Å; F54-E56 HydrophobicContact CZ-CB 4.27Å
57T98.8Very high97.7Very high3 Ų355.2 Ų55.22%0.01830%0.304CS..  trans-146.9117.3-169.7-50.40000111.4C37 D38 C55 D64 A68C37-T57 HydrophobicContact CB-CG2 4.2Å; D38-T57 CarbonylContact C-O 3.56Å; D38-T57 PolarHBondContact O-N 2.98Å; C55-T57 PolarHBondContact O-N 3.21Å; C55-T57 VanDerWaalsContact O-N 3.15Å; C55-T57 PolarHBondContact O-OG1 2.63Å; T57-D64 HydrophobicContact CG2-CB 4.04Å; T57-A68 HydrophobicContact CG2-CB 4.13Å
58D98.7Very high97.8Very high51 Ų5147.8 Ų47.827%0.27327%0.269SS..  trans-81.9111.8155.5-178.91.3000109.4L39 G60 S61 D64L39-D58 HydrophobicContact CD2-CB 3.81Å; D58-G60 PolarHBondContact O-N 3.36Å; D58-G60 VanDerWaalsContact O-N 3.15Å; D58-G60 PolarHBondContact OD1-N 2.96Å; D58-S61 WeakPolarHBondContact O-CB 3.35Å; D58-S61 PolarHBondContact O-N 3.15Å; D58-D64 PolarHBondContact N-OD2 3.05Å
59V98.7Very high97.9Very high7 Ų746.4 Ų46.44%0.04226%0.262CS..THydrogen-bonded Turntrans-60.6-25.8178.5-66.10000112.8T13 S61 A86 T114 G118 N121 M122T13-V59 HydrophobicContact CG2-CG1 3.99Å; V59-S61 PolarHBondContact O-N 3.37Å; V59-A86 HydrophobicContact CG1-CB 3.97Å; V59-A86 HydrophobicContact CG2-CB 3.97Å; V59-T114 HydrophobicContact CG2-CG2 4.38Å; V59-G118 VanDerWaalsContact O-CA 3.24Å; V59-G118 WeakPolarHBondContact O-CA 3.23Å; V59-N121 PolarHBondContact O-ND2 3.11Å; V59-M122 HydrophobicContact CB-CG 4.19Å; V59-M122 HydrophobicContact CG1-CG 3.91Å; V59-M122 HydrophobicContact CG1-SD 4.34Å
60G98.2Very high98.1Very high11 Ų1149.2 Ų49.211%0.11327%0.267CS..THydrogen-bonded Turntrans-77.7-4.917500000114.3D58 K113D58-G60 PolarHBondContact O-N 3.36Å; D58-G60 VanDerWaalsContact O-N 3.15Å; D58-G60 PolarHBondContact OD1-N 2.96Å; G60-K113 WeakPolarHBondContact O-CE 3.22Å
61S98.6Very high98.2Very high26 Ų2646.2 Ų46.218%0.18224%0.242CC..  trans-100.3123.2175171.60000110.2D58 V59 S63 D64 A65 N121D58-S61 WeakPolarHBondContact O-CB 3.35Å; D58-S61 PolarHBondContact O-N 3.15Å; V59-S61 PolarHBondContact O-N 3.37Å; S61-S63 VanDerWaalsContact C-N 3.35Å; S61-S63 PolarHBondContact OG-OG 3.47Å; S61-D64 VanDerWaalsContact OG-CG 3.3Å; S61-D64 PolarHBondContact OG-N 3.42Å; S61-D64 PolarHBondContact OG-OD1 3Å; S61-A65 WeakPolarHBondContact O-CB 3.25Å; S61-A65 PolarHBondContact O-N 2.93Å; S61-A65 VanDerWaalsContact O-N 3.11Å; S61-N121 PolarHBondContact O-ND2 2.98Å
62E98.5Very high98.3Very high91 Ų9143.4 Ų43.443%0.42523%0.227SC..Hα-helixtrans-64.8-39.1176.4173.4167.6-146.800112D64 K66 R124E62-D64 VanDerWaalsContact C-N 3.35Å; E62-K66 HydrophobicContact CG-CD 4.03Å; E62-K66 HydrophobicContact CG-CG 4.4Å; E62-K66 WeakPolarHBondContact O-CB 3.36Å; E62-K66 WeakPolarHBondContact O-CG 3.46Å; E62-K66 PolarHBondContact O-N 2.89Å; E62-K66 WeakPolarHBondContact OE1-CE 3.39Å; E62-K66 IonicContact OE1-NZ 2.8Å; E62-K66 PolarHBondContact OE1-NZ 3.11Å; E62-K66 IonicContact OE2-NZ 3.87Å; E62-R124 VanDerWaalsContact CG-NH2 3.31Å; E62-R124 IonicContact OE1-CZ 3.53Å; E62-R124 IonicContact OE1-NH1 3.43Å; E62-R124 PolarHBondContact OE1-NH1 3.01Å; E62-R124 IonicContact OE1-NH2 2.77Å; E62-R124 PolarHBondContact OE1-NH2 2.86Å
63S98.6Very high98.1Very high79 Ų7949.5 Ų49.555%0.55225%0.251SS*.Hα-helixtrans-64.4-41.818050.70000111.8S61 K66 K67S61-S63 VanDerWaalsContact C-N 3.35Å; S61-S63 PolarHBondContact OG-OG 3.47Å; S63-K66 PolarHBondContact O-N 2.92Å; S63-K67 WeakPolarHBondContact O-CB 3.43Å; S63-K67 PolarHBondContact O-N 3.26Å
64D98.7Very high98Very high45 Ų4556.6 Ų56.624%0.24128%0.28CS..Hα-helixtrans-68.1-45.9-179-66.729.6000110.3T57 D58 S61 E62 K66 K67 A68T57-D64 HydrophobicContact CG2-CB 4.04Å; D58-D64 PolarHBondContact N-OD2 3.05Å; S61-D64 VanDerWaalsContact OG-CG 3.3Å; S61-D64 PolarHBondContact OG-N 3.42Å; S61-D64 PolarHBondContact OG-OD1 3Å; E62-D64 VanDerWaalsContact C-N 3.35Å; D64-K66 PolarHBondContact O-N 3.24Å; D64-K67 WeakPolarHBondContact O-CB 3.48Å; D64-K67 PolarHBondContact O-N 2.92Å; D64-A68 WeakPolarHBondContact O-CB 3.27Å; D64-A68 PolarHBondContact O-N 3.28Å
65A98.6Very high97.9Very high0 Ų058.1 Ų58.10%029%0.29CS..Hα-helixtrans-61.9-41.4177.500000112.2S61 A68 V69 N121 M122 L125S61-A65 WeakPolarHBondContact O-CB 3.25Å; S61-A65 PolarHBondContact O-N 2.93Å; S61-A65 VanDerWaalsContact O-N 3.11Å; A65-A68 PolarHBondContact O-N 2.78Å; A65-V69 WeakPolarHBondContact O-CB 3.42Å; A65-V69 WeakPolarHBondContact O-CG2 3.16Å; A65-V69 PolarHBondContact O-N 3.21Å; A65-N121 WeakPolarHBondContact CB-ND2 3.31Å; A65-M122 HydrophobicContact CB-SD 3.55Å; A65-M122 VanDerWaalsContact CB-SD 3.55Å; A65-L125 HydrophobicContact CB-CD1 3.58Å
66K98.4Very high97.5Very high89 Ų8958.4 Ų58.439%0.38729%0.291SS..Hα-helixtrans-60.7-49.3173.6-78.4176.4-179.5165.60111.3E62 S63 D64 A68 V69 D70 L125E62-K66 HydrophobicContact CG-CD 4.03Å; E62-K66 HydrophobicContact CG-CG 4.4Å; E62-K66 WeakPolarHBondContact O-CB 3.36Å; E62-K66 WeakPolarHBondContact O-CG 3.46Å; E62-K66 PolarHBondContact O-N 2.89Å; E62-K66 WeakPolarHBondContact OE1-CE 3.39Å; E62-K66 IonicContact OE1-NZ 2.8Å; E62-K66 PolarHBondContact OE1-NZ 3.11Å; E62-K66 IonicContact OE2-NZ 3.87Å; S63-K66 PolarHBondContact O-N 2.92Å; D64-K66 PolarHBondContact O-N 3.24Å; K66-A68 VanDerWaalsContact C-N 3.29Å; K66-A68 PolarHBondContact O-N 3.24Å; K66-V69 PolarHBondContact O-N 3.04Å; K66-D70 WeakPolarHBondContact O-CB 3.34Å; K66-D70 PolarHBondContact O-N 3.34Å; K66-L125 HydrophobicContact CG-CD1 3.93Å; K66-L125 HydrophobicContact CG-CD2 4.03Å
67K98.5Very high96.8Very high123 Ų12358.4 Ų58.454%0.53531%0.305SS..Hα-helixtrans-55.9-43.3176.5175.7-171.5169.1-165.50111.9S63 D64 L71S63-K67 WeakPolarHBondContact O-CB 3.43Å; S63-K67 PolarHBondContact O-N 3.26Å; D64-K67 WeakPolarHBondContact O-CB 3.48Å; D64-K67 PolarHBondContact O-N 2.92Å; K67-L71 WeakPolarHBondContact O-CB 3.42Å; K67-L71 PolarHBondContact O-N 3.32Å
68A98.5Very high96.6Very high0 Ų062.4 Ų62.40%032%0.321CS..Hα-helixtrans-64.4-45.1177.800000112.1L35 C55 T57 D64 A65 K66 L71 A72L35-A68 HydrophobicContact CD2-CB 4.45Å; L35-A68 WeakPolarHBondContact CD2-O 3.4Å; C55-A68 HydrophobicContact CB-CB 4.43Å; T57-A68 HydrophobicContact CG2-CB 4.13Å; D64-A68 WeakPolarHBondContact O-CB 3.27Å; D64-A68 PolarHBondContact O-N 3.28Å; A65-A68 PolarHBondContact O-N 2.78Å; K66-A68 VanDerWaalsContact C-N 3.29Å; K66-A68 PolarHBondContact O-N 3.24Å; A68-L71 WeakPolarHBondContact O-CB 3.49Å; A68-L71 PolarHBondContact O-N 3.18Å; A68-A72 PolarHBondContact O-N 2.99Å
69V97.4Very high96.5Very high6 Ų660 Ų604%0.03631%0.309CS..Hα-helixtrans-66-40.5178.2169.70000111.7I11 A65 K66 L71 A72 K73 M122 L125 L129I11-V69 HydrophobicContact CD1-CG2 4.18Å; A65-V69 WeakPolarHBondContact O-CB 3.42Å; A65-V69 WeakPolarHBondContact O-CG2 3.16Å; A65-V69 PolarHBondContact O-N 3.21Å; K66-V69 PolarHBondContact O-N 3.04Å; V69-L71 VanDerWaalsContact C-N 3.31Å; V69-L71 PolarHBondContact O-N 3.32Å; V69-A72 WeakPolarHBondContact O-CB 3.46Å; V69-A72 PolarHBondContact O-N 3.42Å; V69-K73 PolarHBondContact O-N 2.8Å; V69-M122 HydrophobicContact CG2-CE 4.41Å; V69-L125 HydrophobicContact CG2-CB 3.91Å; V69-L129 HydrophobicContact CG1-CD1 3.26Å; V69-L129 HydrophobicContact CG1-CD2 3.69Å; V69-L129 HydrophobicContact CG1-CG 4.11Å
70D97.3Very high96.5Very high104 Ų10460.8 Ų60.856%0.55631%0.312SS*.Hα-helixtrans-63.2-38.8173.6-71.7-27.3000111.6K66 K73 K74K66-D70 WeakPolarHBondContact O-CB 3.34Å; K66-D70 PolarHBondContact O-N 3.34Å; D70-K73 PolarHBondContact O-N 3.05Å; D70-K74 WeakPolarHBondContact O-CB 3.11Å; D70-K74 PolarHBondContact O-N 3.45Å
71L97.8Very high96.5Very high48 Ų4860.3 Ų60.325%0.25131%0.307SS..Hα-helixtrans-66.4-39.2175.4-172.765.7000111.8L35 V53 C55 K67 A68 V69 K74 N75L35-L71 HydrophobicContact CD1-CD2 3.91Å; L35-L71 HydrophobicContact CD1-CG 4.35Å; V53-L71 HydrophobicContact CG1-CD2 4.35Å; C55-L71 HydrophobicContact CB-CD2 3.85Å; K67-L71 WeakPolarHBondContact O-CB 3.42Å; K67-L71 PolarHBondContact O-N 3.32Å; A68-L71 WeakPolarHBondContact O-CB 3.49Å; A68-L71 PolarHBondContact O-N 3.18Å; V69-L71 VanDerWaalsContact C-N 3.31Å; V69-L71 PolarHBondContact O-N 3.32Å; L71-K74 PolarHBondContact O-N 3.07Å; L71-N75 WeakPolarHBondContact CD1-ND2 3.26Å; L71-N75 WeakPolarHBondContact CG-ND2 3.27Å; L71-N75 PolarHBondContact O-N 2.79Å; L71-N75 PolarHBondContact O-ND2 2.86Å
72A97Very high96.5Very high2 Ų259 Ų592%0.01730%0.298CS..Hα-helixtrans-60.3-47.9173.400000110.5I11 L35 A68 V69 K74 N75 F76I11-A72 HydrophobicContact CD1-CB 3.81Å; I11-A72 HydrophobicContact CG1-CB 4.06Å; L35-A72 HydrophobicContact CD2-CB 3.81Å; A68-A72 PolarHBondContact O-N 2.99Å; V69-A72 WeakPolarHBondContact O-CB 3.46Å; V69-A72 PolarHBondContact O-N 3.42Å; A72-K74 VanDerWaalsContact C-N 3.28Å; A72-K74 PolarHBondContact O-N 2.77Å; A72-N75 PolarHBondContact O-N 2.76Å; A72-F76 HydrophobicContact CB-CD2 4.32Å; A72-F76 WeakPolarHBondContact O-CA 3.44Å; A72-F76 VanDerWaalsContact O-CB 3.26Å; A72-F76 WeakPolarHBondContact O-CB 3.3Å; A72-F76 PolarHBondContact O-N 3.43Å
73K95.1Very high96.6Very high146 Ų14654.7 Ų54.764%0.63528%0.278SS*.Hα-helixtrans-60.3-35.1176.5-173.6177.8179.7179.70113.1V69 D70 F76 L129V69-K73 PolarHBondContact O-N 2.8Å; D70-K73 PolarHBondContact O-N 3.05Å; K73-F76 CarbonylContact C-O 3.48Å; K73-L129 HydrophobicContact CB-CD2 3.93Å
74K95.8Very high96.6Very high179 Ų17951 Ų5178%0.77825%0.252SS*.Hα-helixtrans-74.2-41.9179.4-177.5179176.3-178.90112.7D70 L71 A72D70-K74 WeakPolarHBondContact O-CB 3.11Å; D70-K74 PolarHBondContact O-N 3.45Å; L71-K74 PolarHBondContact O-N 3.07Å; A72-K74 VanDerWaalsContact C-N 3.28Å; A72-K74 PolarHBondContact O-N 2.77Å
75N94.6Very high96.6Very high81 Ų8149.9 Ų49.943%0.43325%0.247SC..Hα-helixtrans-84.1-32.5-177.3-75.3-89.6000112.2L71 A72L71-N75 WeakPolarHBondContact CD1-ND2 3.26Å; L71-N75 WeakPolarHBondContact CG-ND2 3.27Å; L71-N75 PolarHBondContact O-N 2.79Å; L71-N75 PolarHBondContact O-ND2 2.86Å; A72-N75 PolarHBondContact O-N 2.76Å
76F90.4Very high96.5Very high12 Ų1250.8 Ų50.85%0.05325%0.254CS..  trans-118.8126.1-175.5-46.8-36.6000108.6S9 N33 L35 V53 A72 K73 K78S9-F76 WeakPolarHBondContact OG-CB 3.3Å; N33-F76 HydrophobicContact CB-CD1 3.74Å; N33-F76 HydrophobicContact CB-CE1 3.53Å; N33-F76 HydrophobicContact CB-CE2 4.47Å; N33-F76 HydrophobicContact CB-CG 4.38Å; N33-F76 HydrophobicContact CB-CZ 3.92Å; L35-F76 HydrophobicContact CB-CE2 3.67Å; L35-F76 HydrophobicContact CB-CZ 4.21Å; V53-F76 HydrophobicContact CB-CZ 4.47Å; V53-F76 HydrophobicContact CG2-CE1 4.26Å; V53-F76 HydrophobicContact CG2-CZ 4.17Å; A72-F76 HydrophobicContact CB-CD2 4.32Å; A72-F76 WeakPolarHBondContact O-CA 3.44Å; A72-F76 VanDerWaalsContact O-CB 3.26Å; A72-F76 WeakPolarHBondContact O-CB 3.3Å; A72-F76 PolarHBondContact O-N 3.43Å; K73-F76 CarbonylContact C-O 3.48Å; F76-K78 WeakPolarHBondContact CB-O 3.3Å; F76-K78 PolarHBondContact O-N 3.33Å; F76-K78 VanDerWaalsContact O-N 3.12Å
77S84.4Confident96.4Very high124 Ų12448.3 Ų48.387%0.86725%0.254SS*.SBendtrans-60.4-23.2178.854.50000113.4
78K94.5Very high96.3Very high86 Ų8644.4 Ų44.437%0.37424%0.239SC..  trans-144.5154.1-178.1-66.9-174.7-178.8-177.10110.1S9 F76 H80 N133S9-K78 WeakPolarHBondContact CB-O 3.36Å; S9-K78 PolarHBondContact OG-O 3.43Å; F76-K78 WeakPolarHBondContact CB-O 3.3Å; F76-K78 PolarHBondContact O-N 3.33Å; F76-K78 VanDerWaalsContact O-N 3.12Å; K78-H80 VanDerWaalsContact CB-CE1 3.48Å; K78-H80 WeakPolarHBondContact CB-CE1 3.49Å; K78-N133 VanDerWaalsContact CB-OD1 3.3Å; K78-N133 WeakPolarHBondContact CB-OD1 3.35Å; K78-N133 WeakPolarHBondContact CG-OD1 3.19Å
79L97.7Very high95.9Very high2 Ų246.4 Ų46.41%0.0126%0.255CS..  trans-118.3124.3169.1179.365.9000109.1I11 A126 L129 M130 N133I11-L79 HydrophobicContact CB-CD1 4.46Å; I11-L79 HydrophobicContact CD1-CD1 4.12Å; I11-L79 HydrophobicContact CD1-CD2 3.76Å; I11-L79 HydrophobicContact CG1-CD1 3.79Å; I11-L79 HydrophobicContact CG1-CD2 4.34Å; L79-A126 HydrophobicContact CD2-CB 3.79Å; L79-L129 HydrophobicContact CB-CB 3.87Å; L79-L129 HydrophobicContact CB-CD2 4.15Å; L79-L129 HydrophobicContact CD2-CB 4.1Å; L79-L129 HydrophobicContact CD2-CD2 4.12Å; L79-M130 HydrophobicContact CD2-CE 4.3Å; L79-M130 HydrophobicContact CG-CE 4.27Å; L79-M130 HydrophobicContact CG-CG 4.44Å; L79-M130 WeakPolarHBondContact O-CG 3.08Å; L79-N133 PolarHBondContact O-ND2 2.94Å
80H97.9Very high95.7Very high23 Ų2347.6 Ų47.611%0.10626%0.263CS..  trans-112.2-31.6-175.5-56.6102000112.5F2 L8 S9 K78 G142 V143F2-H80 HydrophobicContact CE1-CB 4.29Å; F2-H80 AromaticContact CE1-CD2 3.69Å; F2-H80 HydrophobicContact CE2-CB 4.04Å; F2-H80 HydrophobicContact CZ-CB 3.63Å; F2-H80 AromaticContact CZ-CD2 3.55Å; F2-H80 AromaticContact CZ-CG 3.83Å; L8-H80 HydrophobicContact CB-CB 4.38Å; L8-H80 HydrophobicContact CD2-CB 4.48Å; S9-H80 PolarHBondContact N-ND1 3.48Å; S9-H80 PolarHBondContact O-N 3.28Å; K78-H80 VanDerWaalsContact CB-CE1 3.48Å; K78-H80 WeakPolarHBondContact CB-CE1 3.49Å; H80-G142 CarbonylContact O-C 3.54Å; H80-G142 WeakPolarHBondContact O-CA 3.4Å; H80-V143 PolarHBondContact O-N 2.77Å
81I98.6Very high95.4Very high0 Ų046.5 Ų46.50%027%0.268CS..EExtended strand (participates in β ladder)trans-130.3133.9-168.9-59.1152.2000109.8L5 L8 S9 A10 I11 V83 V143 I233L5-I81 HydrophobicContact CD2-CD1 4.1Å; L8-I81 HydrophobicContact CB-CD1 4.19Å; L8-I81 HydrophobicContact CD1-CD1 3.99Å; S9-I81 PolarHBondContact O-N 3.18Å; S9-I81 VanDerWaalsContact O-N 3.15Å; A10-I81 CarbonylContact C-O 3.54Å; A10-I81 VanDerWaalsContact CA-O 3.23Å; A10-I81 WeakPolarHBondContact CA-O 3.32Å; A10-I81 HydrophobicContact CB-CB 3.76Å; A10-I81 HydrophobicContact CB-CD1 4.34Å; A10-I81 HydrophobicContact CB-CG2 4.05Å; I11-I81 PolarHBondContact N-O 2.99Å; I81-V83 HydrophobicContact CG2-CG2 3.72Å; I81-V143 WeakPolarHBondContact CA-O 3.48Å; I81-V143 HydrophobicContact CB-CG1 4.41Å; I81-V143 HydrophobicContact CG1-CG1 3.88Å; I81-V143 HydrophobicContact CG2-CG1 4.39Å; I81-I233 HydrophobicContact CD1-CD1 3.86Å; I81-I233 HydrophobicContact CD1-CG1 4.4Å; I81-I233 HydrophobicContact CD1-CG2 4.16Å; I81-I233 HydrophobicContact CG1-CD1 4.2Å; I81-I233 HydrophobicContact CG1-CG1 4.32Å; I81-I233 HydrophobicContact CG1-CG2 4.33Å; I81-I233 HydrophobicContact CG2-CD1 4.04Å; I81-I233 HydrophobicContact CG2-CG1 4.41Å
82L98.9Very high95.3Very high0 Ų045.8 Ų45.80%027%0.267CS..EExtended strand (participates in β ladder)trans-120.1122.7163.6172.464.5000108.2I11 T13 N84 M122 I123 A126 M130 V143 I144 I145I11-L82 HydrophobicContact CB-CD1 3.9Å; I11-L82 HydrophobicContact CG2-CD1 3.77Å; T13-L82 HydrophobicContact CG2-CD1 4.39Å; L82-N84 WeakPolarHBondContact CD2-ND2 3.08Å; L82-M122 HydrophobicContact CD1-CB 4.36Å; L82-M122 HydrophobicContact CD2-CB 4.18Å; L82-I123 HydrophobicContact CD2-CG1 4.12Å; L82-A126 HydrophobicContact CB-CB 4.43Å; L82-A126 HydrophobicContact CD2-CB 3.89Å; L82-M130 HydrophobicContact CB-CE 3.66Å; L82-V143 PolarHBondContact N-O 2.87Å; L82-I144 HydrophobicContact CB-CG1 4.4Å; L82-I144 HydrophobicContact CD2-CG2 4.38Å; L82-I144 WeakPolarHBondContact O-CA 3.46Å; L82-I145 PolarHBondContact O-N 3.33Å
83V99Very high95.3Very high0 Ų050.8 Ų50.80%029%0.288CS..EExtended strand (participates in β ladder)trans-114.5111.6170.4-1650000109.3I11 V12 T13 T23 I81 C85 I145 V229I11-V83 PolarHBondContact O-N 2.85Å; V12-V83 WeakPolarHBondContact CA-O 3.44Å; V12-V83 HydrophobicContact CG1-CB 4.48Å; V12-V83 HydrophobicContact CG2-CB 4.3Å; V12-V83 HydrophobicContact CG2-CG2 4.38Å; T13-V83 PolarHBondContact N-O 3.37Å; T23-V83 HydrophobicContact CG2-CB 4.43Å; T23-V83 HydrophobicContact CG2-CG1 4.24Å; T23-V83 HydrophobicContact CG2-CG2 4.15Å; I81-V83 HydrophobicContact CG2-CG2 3.72Å; V83-C85 PolarHBondContact O-N 3.35Å; V83-I145 CarbonylContact C-O 3.4Å; V83-I145 WeakPolarHBondContact CA-O 3.25Å; V83-I145 HydrophobicContact CG1-CB 4.31Å; V83-I145 HydrophobicContact CG1-CG2 4.42Å; V83-V229 HydrophobicContact CG1-CG1 4.5Å; V83-V229 HydrophobicContact CG1-CG2 4.26Å; V83-V229 HydrophobicContact CG2-CG1 3.93Å
84N99Very high95.4Very high2 Ų248.8 Ų48.81%0.01129%0.288CS..EExtended strand (participates in β ladder)trans-88.997.1177.3-68.7-56.5000110.5T13 L82 T119 M122 I145 N146 T147T13-N84 VanDerWaalsContact OG1-CA 3.3Å; T13-N84 WeakPolarHBondContact OG1-CA 3.42Å; L82-N84 WeakPolarHBondContact CD2-ND2 3.08Å; N84-T119 HydrophobicContact CB-CG2 4.1Å; N84-M122 WeakPolarHBondContact OD1-CB 3.46Å; N84-I145 PolarHBondContact N-O 2.96Å; N84-N146 PolarHBondContact ND2-OD1 2.98Å; N84-T147 WeakPolarHBondContact O-CB 3.39Å; N84-T147 PolarHBondContact O-N 3.46Å; N84-T147 PolarHBondContact O-OG1 3.26Å
85C98.7Very high95.5Very high21 Ų2144.9 Ų44.914%0.14227%0.271CS..  trans-111.2-11.5174.4-61.30000113.5T13 V83 G87 T147T13-C85 CarbonylContact O-C 3.53Å; T13-C85 WeakPolarHBondContact O-CA 3.36Å; T13-C85 WeakPolarHBondContact O-CB 3.38Å; T13-C85 PolarHBondContact O-N 3.36Å; T13-C85 VanDerWaalsContact O-N 3.12Å; T13-C85 PolarHBondContact OG1-N 2.95Å; T13-C85 VanDerWaalsContact OG1-N 3.13Å; V83-C85 PolarHBondContact O-N 3.35Å; C85-G87 PolarHBondContact O-N 3.4Å; C85-T147 PolarHBondContact SG-OG1 3.25Å; C85-T147 VanDerWaalsContact SG-OG1 3.42Å
86A97.9Very high95.6Very high18 Ų1842.8 Ų42.815%0.14926%0.26CS..  trans-57.1133.6175.700000110.7T13 V59T13-A86 PolarHBondContact O-N 3.4Å; T13-A86 VanDerWaalsContact O-N 3.11Å; T13-A86 WeakPolarHBondContact OG1-CB 3.35Å; T13-A86 PolarHBondContact OG1-N 3.14Å; T13-A86 VanDerWaalsContact OG1-N 3.09Å; V59-A86 HydrophobicContact CG1-CB 3.97Å; V59-A86 HydrophobicContact CG2-CB 3.97Å
87G96.2Very high95.9Very high37 Ų3746.6 Ų46.638%0.38128%0.284SS..  trans177.2163.1176.100000113C85 N115C85-G87 PolarHBondContact O-N 3.4Å; G87-N115 WeakPolarHBondContact CA-OD1 3.46Å
88L94.7Very high96.5Very high41 Ų4146.9 Ų46.922%0.21528%0.281CS..  trans-131.8157.8174.764.484.4000110.4V90 K110 V111 T114 N115 Y162L88-V90 HydrophobicContact CD1-CG1 4.02Å; L88-K110 HydrophobicContact CD2-CG 4.29Å; L88-V111 HydrophobicContact CD1-CB 4.16Å; L88-V111 HydrophobicContact CD1-CG1 4.41Å; L88-V111 HydrophobicContact CD1-CG2 3.54Å; L88-T114 HydrophobicContact CD2-CG2 4.04Å; L88-T114 HydrophobicContact CG-CG2 4.32Å; L88-N115 PolarHBondContact N-OD1 2.96Å; L88-N115 PolarHBondContact O-ND2 2.79Å; L88-N115 PolarHBondContact O-OD1 3.36Å; L88-Y162 WeakPolarHBondContact O-CD2 3.17Å; L88-Y162 WeakPolarHBondContact O-CE2 3.3Å
89A92Very high96.6Very high42 Ų4252 Ų5235%0.34730%0.298SS..  trans-126.7145.7176.400000109.7Y162 L199A89-Y162 HydrophobicContact CB-CD2 3.85Å; A89-Y162 HydrophobicContact CB-CE2 3.86Å; A89-Y162 HydrophobicContact CB-CG 4.38Å; A89-L199 HydrophobicContact CB-CD1 3.78Å; A89-L199 HydrophobicContact CB-CD2 4.25Å; A89-L199 HydrophobicContact CB-CG 4.2Å
90V91.8Very high96.5Very high31 Ų3158.4 Ų58.419%0.18833%0.328CS..  trans-134.8147.3175.3-56.60000108.3L88 L107 V111 A161L88-V90 HydrophobicContact CD1-CG1 4.02Å; V90-L107 HydrophobicContact CB-CD1 4.46Å; V90-L107 HydrophobicContact CB-CD2 4.46Å; V90-L107 HydrophobicContact CG1-CD1 3.78Å; V90-L107 HydrophobicContact CG1-CG 4.31Å; V90-L107 HydrophobicContact CG2-CD2 4.49Å; V90-L107 HydrophobicContact CG2-CG 4.37Å; V90-V111 HydrophobicContact CB-CG2 4.3Å; V90-V111 HydrophobicContact CG1-CG2 3.78Å; V90-V111 HydrophobicContact CG2-CG2 3.5Å; V90-A161 HydrophobicContact CG2-CB 4.13Å
91A92.1Very high96.6Very high82 Ų8260.4 Ų60.468%0.67834%0.342SS*.  trans-116.5101.7171.800000108.7G158A91-G158 WeakPolarHBondContact CA-O 3.33Å
92C94.7Very high96.5Very high32 Ų3264.6 Ų64.622%0.21637%0.369CS..  trans-146.3124.4179.3-171.50000110H103 L107 G158C92-H103 VanDerWaalsContact CB-CD2 3.5Å; C92-H103 WeakPolarHBondContact CB-CD2 3.49Å; C92-H103 WeakPolarHBondContact CB-NE2 3.33Å; C92-H103 PolarHBondContact O-CD2 2.9Å; C92-H103 VanDerWaalsContact SG-CD2 3.59Å; C92-L107 HydrophobicContact CB-CD2 4.14Å; C92-G158 CarbonylContact C-O 3.58Å; C92-G158 PolarHBondContact N-O 3.18Å; C92-G158 CarbonylContact O-C 3.52Å; C92-G158 VanDerWaalsContact O-CA 3.29Å; C92-G158 WeakPolarHBondContact O-CA 3.45Å
93K96.3Very high96.5Very high108 Ų10865.9 Ų65.947%0.4738%0.375SS..  trans-66.7142.8178.1-68-174.9177.8-176.80109.7F95 V157K93-F95 PolarHBondContact O-N 3.5Å; K93-F95 VanDerWaalsContact O-N 3.16Å; K93-V157 HydrophobicContact CD-CG1 4.35Å; K93-V157 HydrophobicContact CG-CG1 4.12Å
94T98.1Very high96.5Very high104 Ų10468.7 Ų68.764%0.63839%0.394SS*.SBendtrans-49.5-41.2174.2-54.90000112.3H103T94-H103 PolarHBondContact O-N 2.9Å
95F98.5Very high96.5Very high96 Ų9674.1 Ų74.142%0.42142%0.422SS..EExtended strand (participates in β ladder)trans-137.5127.9167.8-168.7-90.8000108.8K93 T97 P102K93-F95 PolarHBondContact O-N 3.5Å; K93-F95 VanDerWaalsContact O-N 3.16Å; F95-T97 HydrophobicContact CD1-CG2 4.01Å; F95-T97 HydrophobicContact CE1-CG2 4.4Å; F95-P102 HydrophobicContact CD2-CB 4.22Å
96N96.9Very high96.4Very high38 Ų3878.4 Ų78.420%0.20344%0.444CS..EExtended strand (participates in β ladder)trans-91.8103.2175.3-173.7-39.5000109.1T98 R99 Q100 T101N96-T98 VanDerWaalsContact C-N 3.31Å; N96-T98 PolarHBondContact O-N 2.99Å; N96-T98 WeakPolarHBondContact OD1-CB 3.22Å; N96-T98 PolarHBondContact OD1-N 3.35Å; N96-R99 HydrophobicContact CB-CB 4.29Å; N96-R99 PolarHBondContact O-N 3Å; N96-R99 PolarHBondContact OD1-N 3.06Å; N96-Q100 WeakPolarHBondContact O-CA 3.49Å; N96-Q100 PolarHBondContact O-N 2.97Å; N96-T101 PolarHBondContact N-O 3.24Å; N96-T101 PolarHBondContact O-N 3.37Å
97T96.8Very high96.4Very high91 Ų9179.9 Ų79.956%0.55845%0.449SS*.THydrogen-bonded Turntrans-68.3-25.2-178.852.80000113.8F95 Q100F95-T97 HydrophobicContact CD1-CG2 4.01Å; F95-T97 HydrophobicContact CE1-CG2 4.4Å; T97-Q100 PolarHBondContact O-NE2 2.8Å
98T96.2Very high96.6Very high130 Ų13081.7 Ų81.780%0.79845%0.446SS*.THydrogen-bonded Turntrans-73.5-39.9175.5-52.80000111.3N96N96-T98 VanDerWaalsContact C-N 3.31Å; N96-T98 PolarHBondContact O-N 2.99Å; N96-T98 WeakPolarHBondContact OD1-CB 3.22Å; N96-T98 PolarHBondContact OD1-N 3.35Å
99R95.5Very high96.7Very high193 Ų19385 Ų8573%0.72846%0.461SS*.THydrogen-bonded Turntrans-91-10.2179.6-65.2-175.9-179.8142.51113.7N96 T101N96-R99 HydrophobicContact CB-CB 4.29Å; N96-R99 PolarHBondContact O-N 3Å; N96-R99 PolarHBondContact OD1-N 3.06Å; R99-T101 HydrophobicContact CB-CG2 4.44Å; R99-T101 PolarHBondContact O-N 3.33Å
100Q97.6Very high97Very high137 Ų13789.1 Ų89.164%0.6447%0.47SS*.THydrogen-bonded Turntrans5439.7-173.8-64.7-67.5-45.200112.9N96 T97N96-Q100 WeakPolarHBondContact O-CA 3.49Å; N96-Q100 PolarHBondContact O-N 2.97Å; T97-Q100 PolarHBondContact O-NE2 2.8Å
101T98Very high97.3Very high65 Ų6587.6 Ų87.640%0.39946%0.462SS..EExtended strand (participates in β ladder)trans-128.1138.1-177.754.50000111.2N96 R99N96-T101 PolarHBondContact N-O 3.24Å; N96-T101 PolarHBondContact O-N 3.37Å; R99-T101 HydrophobicContact CB-CG2 4.44Å; R99-T101 PolarHBondContact O-N 3.33Å
102P98.5Very high97.7Very high88 Ų8885.2 Ų85.257%0.57144%0.437SS*.EExtended strand (participates in β ladder)trans-69.2165170.332.1-35.3000111.2F95F95-P102 HydrophobicContact CD2-CB 4.22Å
103H98.2Very high97.8Very high27 Ų2788.7 Ų88.713%0.12545%0.449CS..PPolyproline II helixtrans-57.7129.4167.4-170.1-58.3000109.8C92 T94 L105C92-H103 VanDerWaalsContact CB-CD2 3.5Å; C92-H103 WeakPolarHBondContact CB-CD2 3.49Å; C92-H103 WeakPolarHBondContact CB-NE2 3.33Å; C92-H103 PolarHBondContact O-CD2 2.9Å; C92-H103 VanDerWaalsContact SG-CD2 3.59Å; T94-H103 PolarHBondContact O-N 2.9Å; H103-L105 PolarHBondContact O-N 2.87Å
104P98.2Very high98Very high60 Ų6084.8 Ų84.839%0.3943%0.434SS..PPolyproline II helixtrans-59.8128.6175.3-22.933.7000111.1D106 L107 F108P104-D106 WeakPolarHBondContact CB-OD1 3.43Å; P104-L107 HydrophobicContact CB-CB 4.13Å; P104-L107 PolarHBondContact O-N 2.97Å; P104-F108 PolarHBondContact O-N 3.29Å
105L98.6Very high98Very high116 Ų11679.9 Ų79.961%0.60740%0.403SS*.Hα-helixtrans-65.5-41.8-175.6179.260.5000111.6H103 L107 F108 E109H103-L105 PolarHBondContact O-N 2.87Å; L105-L107 PolarHBondContact O-N 2.83Å; L105-F108 WeakPolarHBondContact O-CA 3.5Å; L105-F108 WeakPolarHBondContact O-CB 3.48Å; L105-F108 PolarHBondContact O-N 3.32Å; L105-E109 HydrophobicContact CD1-CG 4.31Å; L105-E109 HydrophobicContact CG-CG 4.27Å; L105-E109 WeakPolarHBondContact O-CG 3.45Å; L105-E109 PolarHBondContact O-N 2.93Å
106D98.4Very high98Very high111 Ų11177.3 Ų77.359%0.59439%0.394SS*.Hα-helixtrans-55.8-36.7176.465.6-39.9000112.5P104 K110P104-D106 WeakPolarHBondContact CB-OD1 3.43Å; D106-K110 VanDerWaalsContact O-CB 3.27Å; D106-K110 WeakPolarHBondContact O-CB 3.35Å; D106-K110 PolarHBondContact O-N 3.32Å
107L97.9Very high98.1Very high49 Ų4979.9 Ų79.926%0.25741%0.407SS..Hα-helixtrans-67.8-40.1175.4-174.262.8000111.7V90 C92 P104 L105 V111V90-L107 HydrophobicContact CB-CD1 4.46Å; V90-L107 HydrophobicContact CB-CD2 4.46Å; V90-L107 HydrophobicContact CG1-CD1 3.78Å; V90-L107 HydrophobicContact CG1-CG 4.31Å; V90-L107 HydrophobicContact CG2-CD2 4.49Å; V90-L107 HydrophobicContact CG2-CG 4.37Å; C92-L107 HydrophobicContact CB-CD2 4.14Å; P104-L107 HydrophobicContact CB-CB 4.13Å; P104-L107 PolarHBondContact O-N 2.97Å; L105-L107 PolarHBondContact O-N 2.83Å; L107-V111 VanDerWaalsContact O-CG2 3.23Å; L107-V111 WeakPolarHBondContact O-CG2 3.29Å; L107-V111 PolarHBondContact O-N 2.85Å
108F98.5Very high98.2Very high74 Ų7475.6 Ų75.633%0.32538%0.381SS..Hα-helixtrans-65.1-48.8175.1-178-84.8000110.6P104 L105 K110 V111 I112 A161 A164P104-F108 PolarHBondContact O-N 3.29Å; L105-F108 WeakPolarHBondContact O-CA 3.5Å; L105-F108 WeakPolarHBondContact O-CB 3.48Å; L105-F108 PolarHBondContact O-N 3.32Å; F108-K110 VanDerWaalsContact C-N 3.31Å; F108-K110 PolarHBondContact O-N 3.35Å; F108-V111 PolarHBondContact O-N 2.95Å; F108-V111 VanDerWaalsContact O-N 3.17Å; F108-I112 HydrophobicContact CD1-CG1 3.87Å; F108-I112 HydrophobicContact CE1-CD1 4.05Å; F108-I112 HydrophobicContact CE1-CG1 3.49Å; F108-I112 VanDerWaalsContact CE1-CG1 3.49Å; F108-I112 HydrophobicContact CZ-CD1 4.04Å; F108-I112 HydrophobicContact CZ-CG1 3.98Å; F108-I112 WeakPolarHBondContact O-CG1 3.44Å; F108-I112 PolarHBondContact O-N 2.89Å; F108-A161 HydrophobicContact CB-CB 4.44Å; F108-A161 HydrophobicContact CD2-CB 3.54Å; F108-A161 HydrophobicContact CE2-CB 4.12Å; F108-A161 HydrophobicContact CG-CB 4.24Å; F108-A164 HydrophobicContact CE2-CB 4.17Å; F108-A164 HydrophobicContact CZ-CB 4.05Å
109E98.5Very high98.3Very high112 Ų11269.6 Ų69.652%0.52334%0.344SS..Hα-helixtrans-58.3-42.2178.2-70.4179152.200112L105 V111 I112 K113L105-E109 HydrophobicContact CD1-CG 4.31Å; L105-E109 HydrophobicContact CG-CG 4.27Å; L105-E109 WeakPolarHBondContact O-CG 3.45Å; L105-E109 PolarHBondContact O-N 2.93Å; E109-V111 PolarHBondContact O-N 2.81Å; E109-I112 PolarHBondContact O-N 2.83Å; E109-K113 VanDerWaalsContact O-CB 3.24Å; E109-K113 WeakPolarHBondContact O-CB 3.49Å; E109-K113 PolarHBondContact O-N 2.82Å
110K98.3Very high98.5Very high127 Ų12765.8 Ų65.855%0.55233%0.33SS*.Hα-helixtrans-59-45.3176.1-177.5176.3-179.1176.40112.1L88 D106 F108 K113 T114L88-K110 HydrophobicContact CD2-CG 4.29Å; D106-K110 VanDerWaalsContact O-CB 3.27Å; D106-K110 WeakPolarHBondContact O-CB 3.35Å; D106-K110 PolarHBondContact O-N 3.32Å; F108-K110 VanDerWaalsContact C-N 3.31Å; F108-K110 PolarHBondContact O-N 3.35Å; K110-K113 PolarHBondContact O-N 2.84Å; K110-T114 PolarHBondContact O-N 2.84Å; K110-T114 PolarHBondContact O-OG1 2.82Å
111V98.3Very high98.5Very high0 Ų059.8 Ų59.80%030%0.302CS..Hα-helixtrans-63.3-45.7178.3177.50000110.6L88 V90 L107 F108 E109 N115 A161L88-V111 HydrophobicContact CD1-CB 4.16Å; L88-V111 HydrophobicContact CD1-CG1 4.41Å; L88-V111 HydrophobicContact CD1-CG2 3.54Å; V90-V111 HydrophobicContact CB-CG2 4.3Å; V90-V111 HydrophobicContact CG1-CG2 3.78Å; V90-V111 HydrophobicContact CG2-CG2 3.5Å; L107-V111 VanDerWaalsContact O-CG2 3.23Å; L107-V111 WeakPolarHBondContact O-CG2 3.29Å; L107-V111 PolarHBondContact O-N 2.85Å; F108-V111 PolarHBondContact O-N 2.95Å; F108-V111 VanDerWaalsContact O-N 3.17Å; E109-V111 PolarHBondContact O-N 2.81Å; V111-N115 VanDerWaalsContact O-CB 3.25Å; V111-N115 WeakPolarHBondContact O-CB 3.09Å; V111-N115 PolarHBondContact O-N 2.73Å; V111-A161 HydrophobicContact CB-CB 4.02Å; V111-A161 HydrophobicContact CG1-CB 4.1Å; V111-A161 HydrophobicContact CG2-CB 4.01Å
112I98.7Very high98.6Very high32 Ų3256.7 Ų56.716%0.16428%0.283CS..Hα-helixtrans-62.9-44.4177.1-64-62.8000111F108 E109 L116 I117 A164F108-I112 HydrophobicContact CD1-CG1 3.87Å; F108-I112 HydrophobicContact CE1-CD1 4.05Å; F108-I112 HydrophobicContact CE1-CG1 3.49Å; F108-I112 VanDerWaalsContact CE1-CG1 3.49Å; F108-I112 HydrophobicContact CZ-CD1 4.04Å; F108-I112 HydrophobicContact CZ-CG1 3.98Å; F108-I112 WeakPolarHBondContact O-CG1 3.44Å; F108-I112 PolarHBondContact O-N 2.89Å; E109-I112 PolarHBondContact O-N 2.83Å; I112-L116 HydrophobicContact CG2-CB 4.45Å; I112-L116 HydrophobicContact CG2-CD2 4.45Å; I112-L116 WeakPolarHBondContact O-CA 3.26Å; I112-L116 WeakPolarHBondContact O-CB 3.4Å; I112-L116 PolarHBondContact O-N 2.77Å; I112-I117 HydrophobicContact CG2-CD1 4.32Å; I112-I117 HydrophobicContact CG2-CG1 4.31Å; I112-I117 PolarHBondContact O-N 3.44Å; I112-A164 HydrophobicContact CD1-CB 4.15Å
113K98.7Very high98.6Very high105 Ų10552.7 Ų52.746%0.45726%0.257SS..Iπ-helixtrans-60.3-51.1-179.4-175175.6178.7-178.30111.6G60 E109 K110 I117 G118G60-K113 WeakPolarHBondContact O-CE 3.22Å; E109-K113 VanDerWaalsContact O-CB 3.24Å; E109-K113 WeakPolarHBondContact O-CB 3.49Å; E109-K113 PolarHBondContact O-N 2.82Å; K110-K113 PolarHBondContact O-N 2.84Å; K113-I117 WeakPolarHBondContact O-CB 3.48Å; K113-G118 PolarHBondContact O-N 2.8Å
114T98.5Very high98.6Very high26 Ų2656 Ų5616%0.1627%0.269CS..Iπ-helixtrans-69.9-52.1-179.5-58.60000111.7V59 L88 K110V59-T114 HydrophobicContact CG2-CG2 4.38Å; L88-T114 HydrophobicContact CD2-CG2 4.04Å; L88-T114 HydrophobicContact CG-CG2 4.32Å; K110-T114 PolarHBondContact O-N 2.84Å; K110-T114 PolarHBondContact O-OG1 2.82Å
115N98.7Very high98.6Very high0 Ų054.5 Ų54.50%026%0.257CS..Iπ-helixtrans-77.4-48.2-168.9-68.1-0.3000112.4G87 L88 V111 T119 S165 I169G87-N115 WeakPolarHBondContact CA-OD1 3.46Å; L88-N115 PolarHBondContact N-OD1 2.96Å; L88-N115 PolarHBondContact O-ND2 2.79Å; L88-N115 PolarHBondContact O-OD1 3.36Å; V111-N115 VanDerWaalsContact O-CB 3.25Å; V111-N115 WeakPolarHBondContact O-CB 3.09Å; V111-N115 PolarHBondContact O-N 2.73Å; N115-T119 VanDerWaalsContact O-CB 3.29Å; N115-T119 WeakPolarHBondContact O-CB 3.42Å; N115-T119 PolarHBondContact O-OG1 3.05Å; N115-S165 WeakPolarHBondContact CB-OG 3.48Å; N115-S165 PolarHBondContact ND2-OG 3.36Å; N115-I169 WeakPolarHBondContact O-CD1 3.47Å
116L98.9Very high98.6Very high42 Ų4249 Ų4922%0.2223%0.229CC..Iπ-helixtrans-93.7-57.9-172.2177.758.6000111.5I112 G118 T119 Y120 I169I112-L116 HydrophobicContact CG2-CB 4.45Å; I112-L116 HydrophobicContact CG2-CD2 4.45Å; I112-L116 WeakPolarHBondContact O-CA 3.26Å; I112-L116 WeakPolarHBondContact O-CB 3.4Å; I112-L116 PolarHBondContact O-N 2.77Å; L116-G118 VanDerWaalsContact C-N 3.29Å; L116-G118 PolarHBondContact O-N 3.39Å; L116-T119 PolarHBondContact O-N 3.26Å; L116-Y120 PolarHBondContact O-N 3.49Å; L116-I169 HydrophobicContact CD1-CG1 4.11Å
117I98.8Very high98.6Very high92 Ų9244 Ų4447%0.47220%0.202SC..Iπ-helixtrans-63-41.9-178.3-59.7177.6000109.5I112 K113 T119 Y120 N121I112-I117 HydrophobicContact CG2-CD1 4.32Å; I112-I117 HydrophobicContact CG2-CG1 4.31Å; I112-I117 PolarHBondContact O-N 3.44Å; K113-I117 WeakPolarHBondContact O-CB 3.48Å; I117-T119 PolarHBondContact O-N 3.07Å; I117-Y120 PolarHBondContact O-N 2.96Å; I117-N121 VanDerWaalsContact O-CB 3.22Å; I117-N121 WeakPolarHBondContact O-CB 3.48Å; I117-N121 PolarHBondContact O-N 2.99Å
118G98.9Very high98.6Very high1 Ų143.6 Ų43.61%0.0121%0.21CC..Hα-helixtrans-61.4-43176.600000113.8V59 K113 L116 Y120 N121 M122V59-G118 VanDerWaalsContact O-CA 3.24Å; V59-G118 WeakPolarHBondContact O-CA 3.23Å; K113-G118 PolarHBondContact O-N 2.8Å; L116-G118 VanDerWaalsContact C-N 3.29Å; L116-G118 PolarHBondContact O-N 3.39Å; G118-Y120 PolarHBondContact O-N 3.28Å; G118-N121 PolarHBondContact O-N 2.69Å; G118-M122 WeakPolarHBondContact O-CG 3.41Å; G118-M122 PolarHBondContact O-N 3.36Å
119T98.9Very high98.5Very high4 Ų441.7 Ų41.73%0.02520%0.203CC..Hα-helixtrans-58.5-49.7173.1-67.50000110.9N84 N115 L116 I117 N121 M122 I123 N146 I169N84-T119 HydrophobicContact CB-CG2 4.1Å; N115-T119 VanDerWaalsContact O-CB 3.29Å; N115-T119 WeakPolarHBondContact O-CB 3.42Å; N115-T119 PolarHBondContact O-OG1 3.05Å; L116-T119 PolarHBondContact O-N 3.26Å; I117-T119 PolarHBondContact O-N 3.07Å; T119-N121 VanDerWaalsContact C-N 3.33Å; T119-N121 PolarHBondContact O-N 3.26Å; T119-M122 PolarHBondContact O-N 2.96Å; T119-I123 HydrophobicContact CG2-CD1 3.79Å; T119-I123 VanDerWaalsContact O-CG1 3.25Å; T119-I123 WeakPolarHBondContact O-CG1 3.43Å; T119-I123 PolarHBondContact O-N 3.42Å; T119-N146 HydrophobicContact CG2-CB 4.29Å; T119-I169 HydrophobicContact CG2-CG1 4.4Å
120Y98.9Very high98.5Very high113 Ų11336.3 Ų36.344%0.44318%0.178SC..Hα-helixtrans-65.1-36.6179.4-174.6-108.4000112.9L116 I117 G118 M122 I123 R124 L172L116-Y120 PolarHBondContact O-N 3.49Å; I117-Y120 PolarHBondContact O-N 2.96Å; G118-Y120 PolarHBondContact O-N 3.28Å; Y120-M122 VanDerWaalsContact C-N 3.34Å; Y120-M122 PolarHBondContact O-N 3.21Å; Y120-I123 WeakPolarHBondContact O-CB 3.1Å; Y120-I123 PolarHBondContact O-N 2.81Å; Y120-R124 PolarHBondContact O-N 2.98Å; Y120-L172 HydrophobicContact CD2-CD1 3.79Å; Y120-L172 HydrophobicContact CD2-CD2 4Å; Y120-L172 HydrophobicContact CD2-CG 4.49Å; Y120-L172 HydrophobicContact CE2-CD1 4.14Å
121N98.8Very high98.5Very high11 Ų1133.1 Ų33.16%0.05917%0.166CC..Hα-helixtrans-61.8-42.5177.4-172.937.5000111.6V59 S61 A65 I117 G118 T119 R124 L125V59-N121 PolarHBondContact O-ND2 3.11Å; S61-N121 PolarHBondContact O-ND2 2.98Å; A65-N121 WeakPolarHBondContact CB-ND2 3.31Å; I117-N121 VanDerWaalsContact O-CB 3.22Å; I117-N121 WeakPolarHBondContact O-CB 3.48Å; I117-N121 PolarHBondContact O-N 2.99Å; G118-N121 PolarHBondContact O-N 2.69Å; T119-N121 VanDerWaalsContact C-N 3.33Å; T119-N121 PolarHBondContact O-N 3.26Å; N121-R124 WeakPolarHBondContact O-CG 3.32Å; N121-R124 VanDerWaalsContact OD1-CZ 3.3Å; N121-R124 PolarHBondContact OD1-NE 3.48Å; N121-R124 PolarHBondContact OD1-NH2 2.94Å; N121-L125 WeakPolarHBondContact O-CD1 3.47Å; N121-L125 WeakPolarHBondContact O-CG 3.34Å; N121-L125 PolarHBondContact O-N 3.41Å
122M98.9Very high98.4Very high0 Ų037.1 Ų37.10%020%0.199CC..Hα-helixtrans-70.2-40.5175-65.7-60.4-55.800111.9I11 T13 V59 A65 V69 L82 N84 G118 T119 Y120 L125 A126I11-M122 HydrophobicContact CG2-CE 3.9Å; T13-M122 HydrophobicContact CG2-CB 4.44Å; T13-M122 HydrophobicContact CG2-CE 4.02Å; T13-M122 HydrophobicContact CG2-CG 3.92Å; V59-M122 HydrophobicContact CB-CG 4.19Å; V59-M122 HydrophobicContact CG1-CG 3.91Å; V59-M122 HydrophobicContact CG1-SD 4.34Å; A65-M122 HydrophobicContact CB-SD 3.55Å; A65-M122 VanDerWaalsContact CB-SD 3.55Å; V69-M122 HydrophobicContact CG2-CE 4.41Å; L82-M122 HydrophobicContact CD1-CB 4.36Å; L82-M122 HydrophobicContact CD2-CB 4.18Å; N84-M122 WeakPolarHBondContact OD1-CB 3.46Å; G118-M122 WeakPolarHBondContact O-CG 3.41Å; G118-M122 PolarHBondContact O-N 3.36Å; T119-M122 PolarHBondContact O-N 2.96Å; Y120-M122 VanDerWaalsContact C-N 3.34Å; Y120-M122 PolarHBondContact O-N 3.21Å; M122-L125 PolarHBondContact O-N 3.48Å; M122-A126 WeakPolarHBondContact O-CB 3.47Å; M122-A126 PolarHBondContact O-N 3.11Å
123I98.9Very high98.3Very high5 Ų535.8 Ų35.83%0.02619%0.192CC..Hα-helixtrans-55.7-57.2175.7-74168.9000111.1L82 T119 Y120 L125 A126 S127 I144 L172 V176L82-I123 HydrophobicContact CD2-CG1 4.12Å; T119-I123 HydrophobicContact CG2-CD1 3.79Å; T119-I123 VanDerWaalsContact O-CG1 3.25Å; T119-I123 WeakPolarHBondContact O-CG1 3.43Å; T119-I123 PolarHBondContact O-N 3.42Å; Y120-I123 WeakPolarHBondContact O-CB 3.1Å; Y120-I123 PolarHBondContact O-N 2.81Å; I123-L125 VanDerWaalsContact C-N 3.26Å; I123-L125 PolarHBondContact O-N 3.26Å; I123-A126 PolarHBondContact O-N 3.44Å; I123-S127 VanDerWaalsContact O-CB 3.3Å; I123-S127 WeakPolarHBondContact O-CB 3.49Å; I123-S127 PolarHBondContact O-N 2.88Å; I123-S127 PolarHBondContact O-OG 3.26Å; I123-I144 HydrophobicContact CD1-CG2 4.2Å; I123-I144 HydrophobicContact CG1-CG2 3.83Å; I123-I144 HydrophobicContact CG2-CD1 4.06Å; I123-L172 HydrophobicContact CD1-CD2 3.74Å; I123-V176 HydrophobicContact CG2-CG1 3.89Å; I123-V176 HydrophobicContact CG2-CG2 4.47Å
124R98.7Very high98.1Very high96 Ų9638 Ų3836%0.36220%0.204SC..Hα-helixtrans-62-34.9-173.173.4-176.7-177.691.40.3112.3E62 Y120 N121E62-R124 VanDerWaalsContact CG-NH2 3.31Å; E62-R124 IonicContact OE1-CZ 3.53Å; E62-R124 IonicContact OE1-NH1 3.43Å; E62-R124 PolarHBondContact OE1-NH1 3.01Å; E62-R124 IonicContact OE1-NH2 2.77Å; E62-R124 PolarHBondContact OE1-NH2 2.86Å; Y120-R124 PolarHBondContact O-N 2.98Å; N121-R124 WeakPolarHBondContact O-CG 3.32Å; N121-R124 VanDerWaalsContact OD1-CZ 3.3Å; N121-R124 PolarHBondContact OD1-NE 3.48Å; N121-R124 PolarHBondContact OD1-NH2 2.94Å
125L98.4Very high98Very high29 Ų2938.8 Ų38.815%0.15221%0.21CC..Hα-helixtrans-80.9-46.7-177.6-66.9172.8000111.5A65 K66 V69 N121 M122 I123 S127 G128A65-L125 HydrophobicContact CB-CD1 3.58Å; K66-L125 HydrophobicContact CG-CD1 3.93Å; K66-L125 HydrophobicContact CG-CD2 4.03Å; V69-L125 HydrophobicContact CG2-CB 3.91Å; N121-L125 WeakPolarHBondContact O-CD1 3.47Å; N121-L125 WeakPolarHBondContact O-CG 3.34Å; N121-L125 PolarHBondContact O-N 3.41Å; M122-L125 PolarHBondContact O-N 3.48Å; I123-L125 VanDerWaalsContact C-N 3.26Å; I123-L125 PolarHBondContact O-N 3.26Å; L125-S127 VanDerWaalsContact C-N 3.28Å; L125-S127 PolarHBondContact O-N 3.18Å; L125-G128 PolarHBondContact O-N 2.88Å
126A98.5Very high97.7Very high0 Ų040.8 Ų40.80%022%0.22CC..Hα-helixtrans-65.7-32.2179.300000112.5L79 L82 M122 I123 G128 L129 M130L79-A126 HydrophobicContact CD2-CB 3.79Å; L82-A126 HydrophobicContact CB-CB 4.43Å; L82-A126 HydrophobicContact CD2-CB 3.89Å; M122-A126 WeakPolarHBondContact O-CB 3.47Å; M122-A126 PolarHBondContact O-N 3.11Å; I123-A126 PolarHBondContact O-N 3.44Å; A126-G128 VanDerWaalsContact C-N 3.25Å; A126-G128 PolarHBondContact O-N 3.44Å; A126-L129 PolarHBondContact O-N 2.94Å; A126-L129 VanDerWaalsContact O-N 3.09Å; A126-M130 PolarHBondContact O-N 3.13Å
127S98.5Very high97.3Very high6 Ų643.7 Ų43.74%0.04225%0.251CS..Hα-helixtrans-56.6-40.4178.9-62.30000111.5I123 L125 L129 M130 I131 L180I123-S127 VanDerWaalsContact O-CB 3.3Å; I123-S127 WeakPolarHBondContact O-CB 3.49Å; I123-S127 PolarHBondContact O-N 2.88Å; I123-S127 PolarHBondContact O-OG 3.26Å; L125-S127 VanDerWaalsContact C-N 3.28Å; L125-S127 PolarHBondContact O-N 3.18Å; S127-L129 VanDerWaalsContact C-N 3.26Å; S127-L129 PolarHBondContact O-N 3.5Å; S127-M130 PolarHBondContact O-N 3.03Å; S127-M130 VanDerWaalsContact O-N 3.09Å; S127-I131 VanDerWaalsContact O-CG1 3.25Å; S127-I131 WeakPolarHBondContact O-CG1 3.3Å; S127-I131 PolarHBondContact O-N 3.45Å; S127-L180 WeakPolarHBondContact OG-CD1 3.43Å
128G97.1Very high97Very high41 Ų4143.9 Ų43.942%0.42325%0.253SS..Hα-helixtrans-59.4-34.5178.200000113.8L125 A126L125-G128 PolarHBondContact O-N 2.88Å; A126-G128 VanDerWaalsContact C-N 3.25Å; A126-G128 PolarHBondContact O-N 3.44Å
129L97.4Very high96.8Very high33 Ų3347.3 Ų47.317%0.17327%0.271CS..Hα-helixtrans-74.7-37.4176.2-79.862.1000111.4V69 K73 L79 A126 S127 A132V69-L129 HydrophobicContact CG1-CD1 3.26Å; V69-L129 HydrophobicContact CG1-CD2 3.69Å; V69-L129 HydrophobicContact CG1-CG 4.11Å; K73-L129 HydrophobicContact CB-CD2 3.93Å; L79-L129 HydrophobicContact CB-CB 3.87Å; L79-L129 HydrophobicContact CB-CD2 4.15Å; L79-L129 HydrophobicContact CD2-CB 4.1Å; L79-L129 HydrophobicContact CD2-CD2 4.12Å; A126-L129 PolarHBondContact O-N 2.94Å; A126-L129 VanDerWaalsContact O-N 3.09Å; S127-L129 VanDerWaalsContact C-N 3.26Å; S127-L129 PolarHBondContact O-N 3.5Å; L129-A132 PolarHBondContact O-N 2.67Å
130M98.3Very high96.7Very high0 Ų048.7 Ų48.70%028%0.277CS..Hα-helixtrans-65.6-43.6176.8-66.9176.4-175.200111.2L79 L82 A126 S127 A132 N133 R141 I144 I185L79-M130 HydrophobicContact CD2-CE 4.3Å; L79-M130 HydrophobicContact CG-CE 4.27Å; L79-M130 HydrophobicContact CG-CG 4.44Å; L79-M130 WeakPolarHBondContact O-CG 3.08Å; L82-M130 HydrophobicContact CB-CE 3.66Å; A126-M130 PolarHBondContact O-N 3.13Å; S127-M130 PolarHBondContact O-N 3.03Å; S127-M130 VanDerWaalsContact O-N 3.09Å; M130-A132 PolarHBondContact O-N 2.76Å; M130-N133 VanDerWaalsContact O-CB 3.27Å; M130-N133 WeakPolarHBondContact O-CB 3.45Å; M130-N133 PolarHBondContact O-N 3.37Å; M130-N133 PolarHBondContact O-ND2 3.16Å; M130-R141 WeakPolarHBondContact O-CB 3.36Å; M130-I144 HydrophobicContact CE-CG1 4.3Å; M130-I144 HydrophobicContact SD-CG1 4.18Å; M130-I185 HydrophobicContact CB-CD1 3.54Å; M130-I185 HydrophobicContact CB-CG1 3.98Å; M130-I185 HydrophobicContact SD-CD1 4.41Å; M130-I185 HydrophobicContact SD-CG2 3.87Å
131I97.5Very high96.6Very high60 Ų6046 Ų4631%0.30827%0.266SS..Hα-helixtrans-55.1-37177.6-66.6169.9000111.1S127 N133 R141 E183 I185S127-I131 VanDerWaalsContact O-CG1 3.25Å; S127-I131 WeakPolarHBondContact O-CG1 3.3Å; S127-I131 PolarHBondContact O-N 3.45Å; I131-N133 PolarHBondContact O-N 3.26Å; I131-R141 WeakPolarHBondContact O-CD 2.79Å; I131-R141 PolarHBondContact O-NH1 2.94Å; I131-E183 HydrophobicContact CD1-CB 4.41Å; I131-E183 HydrophobicContact CD1-CG 4.11Å; I131-E183 HydrophobicContact CG1-CB 3.91Å; I131-E183 HydrophobicContact CG1-CG 4.12Å; I131-I185 HydrophobicContact CG1-CD1 3.72Å
132A96.6Very high96.6Very high83 Ų8345.5 Ų45.569%0.68626%0.264SS*.THydrogen-bonded Turntrans-71.9-9.7-18000000114.4L129 M130L129-A132 PolarHBondContact O-N 2.67Å; M130-A132 PolarHBondContact O-N 2.76Å
133N96.7Very high96.6Very high5 Ų545.5 Ų45.53%0.02726%0.264CS..SBendtrans-71.6143.6174.6-64.1-26.6000110.8K78 L79 M130 I131 R141K78-N133 VanDerWaalsContact CB-OD1 3.3Å; K78-N133 WeakPolarHBondContact CB-OD1 3.35Å; K78-N133 WeakPolarHBondContact CG-OD1 3.19Å; L79-N133 PolarHBondContact O-ND2 2.94Å; M130-N133 VanDerWaalsContact O-CB 3.27Å; M130-N133 WeakPolarHBondContact O-CB 3.45Å; M130-N133 PolarHBondContact O-N 3.37Å; M130-N133 PolarHBondContact O-ND2 3.16Å; I131-N133 PolarHBondContact O-N 3.26Å; N133-R141 HydrophobicContact CB-CB 4.36Å; N133-R141 PolarHBondContact ND2-O 3.11Å; N133-R141 WeakPolarHBondContact O-CD 3.19Å; N133-R141 PolarHBondContact O-NH1 2.96Å
134E95.3Very high96.6Very high151 Ų15145.3 Ų45.371%0.70626%0.263SS*.PPolyproline II helixtrans-55.9130.1161.3-71.4-62.2151.500110.2
135P95.4Very high96.6Very high42 Ų4240.7 Ų40.727%0.27325%0.246SC..PPolyproline II helixtrans-69.6150.5176.630.6-32.1000110.3Q140 R141P135-Q140 WeakPolarHBondContact CA-O 3.38Å; P135-R141 HydrophobicContact CB-CG 3.99Å
136D92Very high96.6Very high42 Ų4239.3 Ų39.323%0.22524%0.238CC..  trans-78.5-174.6167.172.216.9000112.4M1 D138 N139 Q140M1-D136 WeakPolarHBondContact CA-OD2 3.44Å; M1-D136 PolarHBondContact N-OD2 2.81Å; D136-D138 PolarHBondContact O-N 3.41Å; D136-D138 VanDerWaalsContact O-N 3.12Å; D136-D138 WeakPolarHBondContact OD1-CA 3.4Å; D136-D138 PolarHBondContact OD1-N 3.13Å; D136-N139 PolarHBondContact O-N 2.97Å; D136-N139 PolarHBondContact OD1-N 2.95Å; D136-Q140 PolarHBondContact N-O 3.29Å; D136-Q140 WeakPolarHBondContact OD1-CB 3.48Å; D136-Q140 PolarHBondContact OD1-N 3.09Å; D136-Q140 WeakPolarHBondContact OD2-CB 3.24Å
137A91.9Very high96.6Very high104 Ų10439.8 Ų39.886%0.8624%0.241SC*.THydrogen-bonded Turntrans-58.8-22.6-178.900000114.6
138D91.9Very high96.6Very high96 Ų9639.5 Ų39.551%0.51324%0.239SC..THydrogen-bonded Turntrans-103.821.7179.8-58.8-54.1000111.6D136 Q140D136-D138 PolarHBondContact O-N 3.41Å; D136-D138 VanDerWaalsContact O-N 3.12Å; D136-D138 WeakPolarHBondContact OD1-CA 3.4Å; D136-D138 PolarHBondContact OD1-N 3.13Å; D138-Q140 HydrophobicContact CB-CG 4.09Å; D138-Q140 PolarHBondContact O-N 3.12Å; D138-Q140 PolarHBondContact O-NE2 2.74Å
139N94.2Very high96.7Very high73 Ų7338.1 Ų38.139%0.3922%0.223SC..SBendtrans55.434.3-173.5-16946.1000113.1D136 R182 G184D136-N139 PolarHBondContact O-N 2.97Å; D136-N139 PolarHBondContact OD1-N 2.95Å; N139-R182 PolarHBondContact ND2-O 2.86Å; N139-G184 WeakPolarHBondContact O-CA 3.09Å
140Q96.8Very high96.7Very high33 Ų3336.6 Ų36.615%0.15422%0.215CC..  trans-95.3131.6177.5-51.1-64.6-68.300111.1P135 D136 D138 G184 R186P135-Q140 WeakPolarHBondContact CA-O 3.38Å; D136-Q140 PolarHBondContact N-O 3.29Å; D136-Q140 WeakPolarHBondContact OD1-CB 3.48Å; D136-Q140 PolarHBondContact OD1-N 3.09Å; D136-Q140 WeakPolarHBondContact OD2-CB 3.24Å; D138-Q140 HydrophobicContact CB-CG 4.09Å; D138-Q140 PolarHBondContact O-N 3.12Å; D138-Q140 PolarHBondContact O-NE2 2.74Å; Q140-G184 CarbonylContact C-O 3.59Å; Q140-G184 WeakPolarHBondContact CA-O 3.25Å; Q140-R186 VanDerWaalsContact OE1-CD 3.25Å; Q140-R186 VanDerWaalsContact OE1-CG 3.3Å
141R97.7Very high96.7Very high55 Ų5536.7 Ų36.721%0.20822%0.216CC..  trans-116.7-26.5177.5-61-169-171-119.6-4.9113.3M130 I131 N133 P135 E183 G184 I185M130-R141 WeakPolarHBondContact O-CB 3.36Å; I131-R141 WeakPolarHBondContact O-CD 2.79Å; I131-R141 PolarHBondContact O-NH1 2.94Å; N133-R141 HydrophobicContact CB-CB 4.36Å; N133-R141 PolarHBondContact ND2-O 3.11Å; N133-R141 WeakPolarHBondContact O-CD 3.19Å; N133-R141 PolarHBondContact O-NH1 2.96Å; P135-R141 HydrophobicContact CB-CG 3.99Å; R141-E183 WeakPolarHBondContact CD-O 3.43Å; R141-E183 WeakPolarHBondContact CG-O 3.24Å; R141-G184 PolarHBondContact N-O 3.38Å; R141-I185 HydrophobicContact CB-CG1 4.42Å
142G98.1Very high96.7Very high2 Ų235 Ų352%0.02121%0.211CC..EExtended strand (participates in β ladder)trans-172.7176.6178.700000114.3H80 G184 I185 R186H80-G142 CarbonylContact O-C 3.54Å; H80-G142 WeakPolarHBondContact O-CA 3.4Å; G142-G184 PolarHBondContact N-O 2.7Å; G142-I185 WeakPolarHBondContact O-CA 3.28Å; G142-R186 PolarHBondContact O-N 3.25Å; G142-R186 VanDerWaalsContact O-N 3.14Å
143V98.6Very high96.8Very high0 Ų036 Ų360%020%0.198CC..EExtended strand (participates in β ladder)trans-141.8134.417860.80000110.9H80 I81 L82 I145 R186 I232 I233H80-V143 PolarHBondContact O-N 2.77Å; I81-V143 WeakPolarHBondContact CA-O 3.48Å; I81-V143 HydrophobicContact CB-CG1 4.41Å; I81-V143 HydrophobicContact CG1-CG1 3.88Å; I81-V143 HydrophobicContact CG2-CG1 4.39Å; L82-V143 PolarHBondContact N-O 2.87Å; V143-I145 HydrophobicContact CG2-CD1 4.37Å; V143-I145 HydrophobicContact CG2-CG1 4.01Å; V143-R186 HydrophobicContact CG2-CB 4.22Å; V143-I232 HydrophobicContact CG2-CG2 4.24Å; V143-I233 HydrophobicContact CG1-CB 4.45Å; V143-I233 HydrophobicContact CG1-CG1 3.95Å; V143-I233 HydrophobicContact CG1-CG2 4.32Å
144I98.9Very high96.8Very high0 Ų038.1 Ų38.10%021%0.208CC..EExtended strand (participates in β ladder)trans-109.5127.3175.5-63170.8000107.8L82 I123 M130 N146 L180 I185 R186 C187 V188L82-I144 HydrophobicContact CB-CG1 4.4Å; L82-I144 HydrophobicContact CD2-CG2 4.38Å; L82-I144 WeakPolarHBondContact O-CA 3.46Å; I123-I144 HydrophobicContact CD1-CG2 4.2Å; I123-I144 HydrophobicContact CG1-CG2 3.83Å; I123-I144 HydrophobicContact CG2-CD1 4.06Å; M130-I144 HydrophobicContact CE-CG1 4.3Å; M130-I144 HydrophobicContact SD-CG1 4.18Å; I144-N146 WeakPolarHBondContact CG2-OD1 3.33Å; I144-L180 HydrophobicContact CD1-CD1 3.73Å; I144-I185 HydrophobicContact CD1-CG2 3.86Å; I144-I185 HydrophobicContact CG1-CG2 3.96Å; I144-R186 PolarHBondContact N-O 3.38Å; I144-C187 HydrophobicContact CB-CB 4.4Å; I144-C187 WeakPolarHBondContact O-CA 3.23Å; I144-V188 PolarHBondContact O-N 2.92Å
145I99Very high96.7Very high0 Ų032.9 Ų32.90%019%0.194CC..EExtended strand (participates in β ladder)trans-124116.1178.7-55.4172.9000108.2L82 V83 N84 V143 V188 I190 V229 I232 I233L82-I145 PolarHBondContact O-N 3.33Å; V83-I145 CarbonylContact C-O 3.4Å; V83-I145 WeakPolarHBondContact CA-O 3.25Å; V83-I145 HydrophobicContact CG1-CB 4.31Å; V83-I145 HydrophobicContact CG1-CG2 4.42Å; N84-I145 PolarHBondContact N-O 2.96Å; V143-I145 HydrophobicContact CG2-CD1 4.37Å; V143-I145 HydrophobicContact CG2-CG1 4.01Å; I145-V188 CarbonylContact C-O 3.48Å; I145-V188 VanDerWaalsContact CA-O 3.26Å; I145-V188 WeakPolarHBondContact CA-O 3.17Å; I145-I190 HydrophobicContact CG2-CD1 3.93Å; I145-I190 HydrophobicContact CG2-CG1 4.2Å; I145-V229 HydrophobicContact CD1-CB 4.48Å; I145-V229 HydrophobicContact CD1-CG1 3.81Å; I145-V229 HydrophobicContact CG2-CG2 4.33Å; I145-I232 HydrophobicContact CD1-CB 3.95Å; I145-I232 HydrophobicContact CD1-CG2 3.71Å; I145-I232 HydrophobicContact CG1-CB 4.49Å; I145-I232 HydrophobicContact CG1-CG2 3.81Å; I145-I232 HydrophobicContact CG2-CD1 4.23Å; I145-I233 HydrophobicContact CD1-CD1 4.32Å; I145-I233 HydrophobicContact CD1-CG1 3.74Å
146N99Very high96.6Very high0 Ų032.3 Ų32.30%019%0.188CC..EExtended strand (participates in β ladder)trans-103.9151.6179.6-44.7-55.9000111.9N84 T119 I144 I169 C187 V188 S189 I190N84-N146 PolarHBondContact ND2-OD1 2.98Å; T119-N146 HydrophobicContact CG2-CB 4.29Å; I144-N146 WeakPolarHBondContact CG2-OD1 3.33Å; N146-I169 HydrophobicContact CB-CG2 3.61Å; N146-C187 PolarHBondContact ND2-SG 3.15Å; N146-C187 VanDerWaalsContact ND2-SG 3.36Å; N146-V188 PolarHBondContact N-O 3.36Å; N146-S189 WeakPolarHBondContact CB-OG 3.49Å; N146-S189 PolarHBondContact ND2-OG 2.85Å; N146-S189 CarbonylContact O-C 3.55Å; N146-S189 WeakPolarHBondContact O-CA 3.17Å; N146-I190 PolarHBondContact O-N 2.73Å
147T98.9Very high96.7Very high9 Ų934.7 Ų34.76%0.05520%0.203CC..EExtended strand (participates in β ladder)trans-103.196.3173.8-500000110.2L19 N84 C85 K166 P192 F225L19-T147 HydrophobicContact CD1-CG2 4.17Å; N84-T147 WeakPolarHBondContact O-CB 3.39Å; N84-T147 PolarHBondContact O-N 3.46Å; N84-T147 PolarHBondContact O-OG1 3.26Å; C85-T147 PolarHBondContact SG-OG1 3.25Å; C85-T147 VanDerWaalsContact SG-OG1 3.42Å; T147-K166 PolarHBondContact O-NZ 3.23Å; T147-P192 HydrophobicContact CG2-CG 3.86Å; T147-F225 HydrophobicContact CG2-CE2 4.03Å; T147-F225 HydrophobicContact CG2-CZ 4.13Å; T147-F225 WeakPolarHBondContact OG1-CZ 3.46Å
148A98.4Very high96.8Very high1 Ų130.3 Ų30.31%0.00817%0.168CC..  trans-76.2-141.5167.400000110.1I169 I190 A191A148-I169 HydrophobicContact CB-CB 4.41Å; A148-I169 HydrophobicContact CB-CG2 4.09Å; A148-I190 WeakPolarHBondContact CA-O 3.39Å; A148-I190 WeakPolarHBondContact CB-O 3.11Å; A148-I190 PolarHBondContact N-O 3.21Å; A148-A191 HydrophobicContact CB-CB 4.32Å
149S98.5Very high97Very high11 Ų1127.4 Ų27.48%0.07715%0.152CC..  trans-167.4156.8170.9178.90000108.6A151 A152S149-A151 PolarHBondContact O-N 3.15Å; S149-A151 WeakPolarHBondContact OG-CB 3.39Å; S149-A151 PolarHBondContact OG-N 2.95Å; S149-A151 VanDerWaalsContact OG-N 3.13Å; S149-A152 WeakPolarHBondContact O-CB 3.41Å; S149-A152 PolarHBondContact O-N 3.17Å
150V97.9Very high97.2Very high1 Ų125.9 Ų25.91%0.00615%0.149CC..THydrogen-bonded Turntrans-58.1-21.3165-61.90000112.7A152 Y153 E154 P192 D246 M251V150-A152 PolarHBondContact O-N 3.13Å; V150-A152 VanDerWaalsContact O-N 3.15Å; V150-Y153 PolarHBondContact O-N 3.04Å; V150-E154 PolarHBondContact O-N 3.26Å; V150-P192 PolarHBondContact N-O 2.98Å; V150-D246 HydrophobicContact CG1-CB 3.75Å; V150-M251 HydrophobicContact CG2-CE 3.79Å; V150-M251 HydrophobicContact CG2-CG 4.04Å; V150-M251 HydrophobicContact CG2-SD 3.61Å
151A96.9Very high97.3Very high2 Ų224.4 Ų24.42%0.01714%0.142CC..Hα-helixtrans-61-18.317000000113.9S149 Y153 G155 Y162 S163 M251S149-A151 PolarHBondContact O-N 3.15Å; S149-A151 WeakPolarHBondContact OG-CB 3.39Å; S149-A151 PolarHBondContact OG-N 2.95Å; S149-A151 VanDerWaalsContact OG-N 3.13Å; A151-Y153 PolarHBondContact O-N 3.42Å; A151-G155 PolarHBondContact O-N 3.39Å; A151-Y162 HydrophobicContact CB-CD1 3.73Å; A151-Y162 HydrophobicContact CB-CE1 3.79Å; A151-S163 WeakPolarHBondContact O-CB 3.45Å; A151-S163 PolarHBondContact O-OG 2.91Å; A151-M251 HydrophobicContact CB-CE 3.77Å
152A98.1Very high97.2Very high25 Ų2523.1 Ų23.121%0.20714%0.138CC..Hα-helixtrans-62.1-22.7171.100000112.7S149 V150 K166 A170S149-A152 WeakPolarHBondContact O-CB 3.41Å; S149-A152 PolarHBondContact O-N 3.17Å; V150-A152 PolarHBondContact O-N 3.13Å; V150-A152 VanDerWaalsContact O-N 3.15Å; A152-K166 HydrophobicContact CB-CB 4.19Å; A152-A170 HydrophobicContact CB-CB 4.18Å
153Y98.1Very high97.3Very high105 Ų10524.1 Ų24.141%0.41214%0.144SC..Hα-helixtrans-117.4-39.5-173.8-48-64.7000112V150 A151 A191 V242 R244V150-Y153 PolarHBondContact O-N 3.04Å; A151-Y153 PolarHBondContact O-N 3.42Å; Y153-A191 HydrophobicContact CE2-CB 3.94Å; Y153-V242 VanDerWaalsContact OH-CB 3.3Å; Y153-V242 WeakPolarHBondContact OH-CB 3.37Å; Y153-V242 WeakPolarHBondContact OH-CG1 3.44Å; Y153-R244 VanDerWaalsContact CD2-NH1 3.3Å; Y153-R244 HydrophobicContact CE2-CG 4.42Å
154E96.9Very high97.3Very high49 Ų4926.3 Ų26.323%0.22916%0.162CC..Hα-helixtrans-12849.3-174.9-54.796.2-154.900112.3V150 Q156 R244 M251V150-E154 PolarHBondContact O-N 3.26Å; E154-Q156 PolarHBondContact O-N 3.03Å; E154-R244 IonicContact OE1-CZ 2.99Å; E154-R244 IonicContact OE1-NH1 3.89Å; E154-R244 PolarHBondContact OE1-NH1 3.47Å; E154-R244 IonicContact OE1-NH2 3.73Å; E154-R244 IonicContact OE2-CZ 2.81Å; E154-R244 VanDerWaalsContact OE2-CZ 3.27Å; E154-R244 IonicContact OE2-NH1 2.83Å; E154-R244 PolarHBondContact OE2-NH1 3.03Å; E154-R244 IonicContact OE2-NH2 3.27Å; E154-R244 PolarHBondContact OE2-NH2 3.18Å; E154-M251 HydrophobicContact CB-CB 4.17Å; E154-M251 WeakPolarHBondContact O-CB 3.16Å; E154-M251 WeakPolarHBondContact O-CE 3.35Å
155G94.5Very high97.2Very high40 Ų4026.3 Ų26.341%0.41216%0.162SC..PPolyproline II helixtrans-54.1130.9-179.600000114.1A151 S163A151-G155 PolarHBondContact O-N 3.39Å; G155-S163 VanDerWaalsContact CA-OG 3.23Å; G155-S163 WeakPolarHBondContact CA-OG 3.17Å
156Q93.5Very high97.2Very high31 Ų3126.7 Ų26.715%0.14516%0.164CC..PPolyproline II helixtrans-82.5170.5-180-52.7-167.3-91.700112.5E154 G158 Q159 M251 P252E154-Q156 PolarHBondContact O-N 3.03Å; Q156-G158 PolarHBondContact O-N 3.11Å; Q156-Q159 HydrophobicContact CB-CG 4.19Å; Q156-Q159 VanDerWaalsContact O-CB 3.31Å; Q156-Q159 WeakPolarHBondContact O-CB 3.47Å; Q156-Q159 PolarHBondContact O-N 3.36Å; Q156-M251 HydrophobicContact CG-CB 3.83Å; Q156-M251 HydrophobicContact CG-CE 4.19Å; Q156-M251 HydrophobicContact CG-SD 4.21Å; Q156-P252 WeakPolarHBondContact CG-O 3.41Å; Q156-P252 PolarHBondContact NE2-O 3.35Å
157V93.7Very high97.2Very high92 Ų9227.9 Ų27.956%0.55818%0.177SC*.THydrogen-bonded Turntrans-54.7126.3175.1171.40000110.9K93 Q159 P253K93-V157 HydrophobicContact CD-CG1 4.35Å; K93-V157 HydrophobicContact CG-CG1 4.12Å; V157-Q159 VanDerWaalsContact C-N 3.34Å; V157-P253 WeakPolarHBondContact CB-OXT 3.34Å; V157-P253 HydrophobicContact CG2-CB 4.43Å; V157-P253 VanDerWaalsContact CG2-OXT 3.25Å; V157-P253 WeakPolarHBondContact CG2-OXT 3.46Å; V157-P253 PolarHBondContact N-OXT 2.94Å
158G94.1Very high97.2Very high12 Ų1228.6 Ų28.612%0.12419%0.185CC..THydrogen-bonded Turntrans85.60.6-178.700000114.8A91 C92 Q156A91-G158 WeakPolarHBondContact CA-O 3.33Å; C92-G158 CarbonylContact C-O 3.58Å; C92-G158 PolarHBondContact N-O 3.18Å; C92-G158 CarbonylContact O-C 3.52Å; C92-G158 VanDerWaalsContact O-CA 3.29Å; C92-G158 WeakPolarHBondContact O-CA 3.45Å; Q156-G158 PolarHBondContact O-N 3.11Å
159Q95.8Very high97.3Very high35 Ų3528.5 Ų28.516%0.16419%0.185CC..  trans-9822.1179.1-61.2-171.9-35.300113.3Q156 V157 A161 Y162 S163Q156-Q159 HydrophobicContact CB-CG 4.19Å; Q156-Q159 VanDerWaalsContact O-CB 3.31Å; Q156-Q159 WeakPolarHBondContact O-CB 3.47Å; Q156-Q159 PolarHBondContact O-N 3.36Å; V157-Q159 VanDerWaalsContact C-N 3.34Å; Q159-A161 PolarHBondContact O-N 2.83Å; Q159-Y162 PolarHBondContact O-N 3.04Å; Q159-S163 WeakPolarHBondContact O-CB 3.38Å; Q159-S163 PolarHBondContact O-N 2.81Å; Q159-S163 PolarHBondContact O-OG 3.05Å
160A97.9Very high97.3Very high41 Ų4128.7 Ų28.734%0.33919%0.187SC..Hα-helixtrans-56.4-49.7-176.900000112.2A164A160-A164 VanDerWaalsContact O-CB 3.25Å; A160-A164 WeakPolarHBondContact O-CB 3.25Å; A160-A164 PolarHBondContact O-N 3.33Å
161A98.1Very high97.3Very high1 Ų131.2 Ų31.21%0.00821%0.213CC..Hα-helixtrans-63-45.4177.200000112.5V90 F108 V111 Q159 S165V90-A161 HydrophobicContact CG2-CB 4.13Å; F108-A161 HydrophobicContact CB-CB 4.44Å; F108-A161 HydrophobicContact CD2-CB 3.54Å; F108-A161 HydrophobicContact CE2-CB 4.12Å; F108-A161 HydrophobicContact CG-CB 4.24Å; V111-A161 HydrophobicContact CB-CB 4.02Å; V111-A161 HydrophobicContact CG1-CB 4.1Å; V111-A161 HydrophobicContact CG2-CB 4.01Å; Q159-A161 PolarHBondContact O-N 2.83Å; A161-S165 PolarHBondContact O-N 3.41Å
162Y97.5Very high97.4Very high29 Ų2932.5 Ų32.511%0.11422%0.219CC..Hα-helixtrans-64.8-48.3-179.1-173.2-113.2000111.4L88 A89 A151 Q159 A164 S165 K166L88-Y162 WeakPolarHBondContact O-CD2 3.17Å; L88-Y162 WeakPolarHBondContact O-CE2 3.3Å; A89-Y162 HydrophobicContact CB-CD2 3.85Å; A89-Y162 HydrophobicContact CB-CE2 3.86Å; A89-Y162 HydrophobicContact CB-CG 4.38Å; A151-Y162 HydrophobicContact CB-CD1 3.73Å; A151-Y162 HydrophobicContact CB-CE1 3.79Å; Q159-Y162 PolarHBondContact O-N 3.04Å; Y162-A164 PolarHBondContact O-N 3.11Å; Y162-S165 PolarHBondContact O-N 2.76Å; Y162-S165 VanDerWaalsContact O-N 3.16Å; Y162-S165 PolarHBondContact O-OG 2.91Å; Y162-K166 HydrophobicContact CD1-CG 4.43Å; Y162-K166 HydrophobicContact CD2-CG 4.37Å; Y162-K166 HydrophobicContact CE1-CG 4.09Å; Y162-K166 HydrophobicContact CE2-CD 4.34Å; Y162-K166 HydrophobicContact CE2-CG 4.02Å; Y162-K166 WeakPolarHBondContact O-CG 3.13Å; Y162-K166 PolarHBondContact O-N 3.42Å; Y162-K166 WeakPolarHBondContact OH-CE 3.37Å
163S98.2Very high97.4Very high23 Ų2331.3 Ų31.316%0.16121%0.21CC..Hα-helixtrans-63.5-41.7179.1-52.80000111.7A151 G155 Q159 S165 K166 G167A151-S163 WeakPolarHBondContact O-CB 3.45Å; A151-S163 PolarHBondContact O-OG 2.91Å; G155-S163 VanDerWaalsContact CA-OG 3.23Å; G155-S163 WeakPolarHBondContact CA-OG 3.17Å; Q159-S163 WeakPolarHBondContact O-CB 3.38Å; Q159-S163 PolarHBondContact O-N 2.81Å; Q159-S163 PolarHBondContact O-OG 3.05Å; S163-S165 VanDerWaalsContact C-N 3.34Å; S163-S165 PolarHBondContact O-N 3Å; S163-K166 PolarHBondContact O-N 2.79Å; S163-G167 WeakPolarHBondContact O-CA 3.48Å; S163-G167 PolarHBondContact O-N 2.85Å
164A98.7Very high97.5Very high45 Ų4529.9 Ų29.937%0.37221%0.209SC..Hα-helixtrans-59.6-44.8172.900000111.5F108 I112 A160 Y162 G168F108-A164 HydrophobicContact CE2-CB 4.17Å; F108-A164 HydrophobicContact CZ-CB 4.05Å; I112-A164 HydrophobicContact CD1-CB 4.15Å; A160-A164 VanDerWaalsContact O-CB 3.25Å; A160-A164 WeakPolarHBondContact O-CB 3.25Å; A160-A164 PolarHBondContact O-N 3.33Å; Y162-A164 PolarHBondContact O-N 3.11Å; A164-G168 PolarHBondContact O-N 3Å
165S98.8Very high97.6Very high0 Ų030.1 Ų30.10%022%0.215CC..Hα-helixtrans-64.5-42.2178.679.60000113.2N115 A161 Y162 S163 G168 I169N115-S165 WeakPolarHBondContact CB-OG 3.48Å; N115-S165 PolarHBondContact ND2-OG 3.36Å; A161-S165 PolarHBondContact O-N 3.41Å; Y162-S165 PolarHBondContact O-N 2.76Å; Y162-S165 VanDerWaalsContact O-N 3.16Å; Y162-S165 PolarHBondContact O-OG 2.91Å; S163-S165 VanDerWaalsContact C-N 3.34Å; S163-S165 PolarHBondContact O-N 3Å; S165-G168 PolarHBondContact O-N 3.41Å; S165-I169 WeakPolarHBondContact O-CG1 3.4Å; S165-I169 PolarHBondContact O-N 3.42Å; S165-I169 VanDerWaalsContact O-N 3.13Å
166K98.7Very high97.8Very high8 Ų828.5 Ų28.54%0.03520%0.197CC..Hα-helixtrans-78-32.4-178.6-62.9-52.3-164.5175.40112.3T147 A152 Y162 S163 G168 I169 A170T147-K166 PolarHBondContact O-NZ 3.23Å; A152-K166 HydrophobicContact CB-CB 4.19Å; Y162-K166 HydrophobicContact CD1-CG 4.43Å; Y162-K166 HydrophobicContact CD2-CG 4.37Å; Y162-K166 HydrophobicContact CE1-CG 4.09Å; Y162-K166 HydrophobicContact CE2-CD 4.34Å; Y162-K166 HydrophobicContact CE2-CG 4.02Å; Y162-K166 WeakPolarHBondContact O-CG 3.13Å; Y162-K166 PolarHBondContact O-N 3.42Å; Y162-K166 WeakPolarHBondContact OH-CE 3.37Å; S163-K166 PolarHBondContact O-N 2.79Å; K166-G168 VanDerWaalsContact C-N 3.33Å; K166-I169 HydrophobicContact CD-CD1 3.87Å; K166-I169 PolarHBondContact O-N 2.92Å; K166-A170 PolarHBondContact O-N 2.98Å
167G98.8Very high98Very high26 Ų2627.2 Ų27.227%0.26819%0.191SC..Hα-helixtrans-62.6-39.9167.600000111.7S163 A170 G171S163-G167 WeakPolarHBondContact O-CA 3.48Å; S163-G167 PolarHBondContact O-N 2.85Å; G167-A170 PolarHBondContact O-N 3.3Å; G167-G171 PolarHBondContact O-N 2.97Å
168G98.8Very high98.3Very high23 Ų2331 Ų3124%0.23720%0.195CC..Hα-helixtrans-59-46.3170.800000112.7A164 S165 K166 G171 L172A164-G168 PolarHBondContact O-N 3Å; S165-G168 PolarHBondContact O-N 3.41Å; K166-G168 VanDerWaalsContact C-N 3.33Å; G168-G171 PolarHBondContact O-N 3.5Å; G168-L172 VanDerWaalsContact O-CB 3.27Å; G168-L172 WeakPolarHBondContact O-CB 3.38Å; G168-L172 PolarHBondContact O-N 3.34Å
169I98.9Very high98.5Very high0 Ų036.2 Ų36.20%022%0.22CC..Hα-helixtrans-63.2-43.7176.3-63.8170.3000110.9N115 L116 T119 N146 A148 S165 K166 L172 T173N115-I169 WeakPolarHBondContact O-CD1 3.47Å; L116-I169 HydrophobicContact CD1-CG1 4.11Å; T119-I169 HydrophobicContact CG2-CG1 4.4Å; N146-I169 HydrophobicContact CB-CG2 3.61Å; A148-I169 HydrophobicContact CB-CB 4.41Å; A148-I169 HydrophobicContact CB-CG2 4.09Å; S165-I169 WeakPolarHBondContact O-CG1 3.4Å; S165-I169 PolarHBondContact O-N 3.42Å; S165-I169 VanDerWaalsContact O-N 3.13Å; K166-I169 HydrophobicContact CD-CD1 3.87Å; K166-I169 PolarHBondContact O-N 2.92Å; I169-L172 WeakPolarHBondContact O-CB 3.39Å; I169-L172 PolarHBondContact O-N 3.13Å; I169-T173 PolarHBondContact O-N 3.22Å; I169-T173 PolarHBondContact O-OG1 2.85Å; I169-T173 VanDerWaalsContact O-OG1 3.05Å
170A98.8Very high98.6Very high15 Ų1535.6 Ų35.612%0.12422%0.218CC..Hα-helixtrans-59.1-49.217600000110.9A152 K166 G167 L172 T173 V242A152-A170 HydrophobicContact CB-CB 4.18Å; K166-A170 PolarHBondContact O-N 2.98Å; G167-A170 PolarHBondContact O-N 3.3Å; A170-L172 VanDerWaalsContact C-N 3.28Å; A170-L172 PolarHBondContact O-N 2.92Å; A170-T173 WeakPolarHBondContact O-CB 3.35Å; A170-T173 PolarHBondContact O-N 3.29Å; A170-T173 PolarHBondContact O-OG1 3.48Å; A170-V242 HydrophobicContact CB-CG2 4.27Å
171G98.7Very high98.6Very high53 Ų5336.1 Ų36.155%0.54622%0.223SC..Hα-helixtrans-64.1-27.7177.500000114.4G167 G168 T173 P175G167-G171 PolarHBondContact O-N 2.97Å; G168-G171 PolarHBondContact O-N 3.5Å; G171-T173 VanDerWaalsContact C-N 3.33Å; G171-P175 WeakPolarHBondContact O-CD 3.47Å; G171-P175 VanDerWaalsContact O-CG 3.31Å; G171-P175 WeakPolarHBondContact O-CG 3.49Å
172L98.4Very high98.6Very high29 Ų2946.6 Ų46.615%0.15226%0.262CS..Hα-helixtrans-71.9-25.6176.9-173.871.3000113Y120 I123 G168 I169 A170 L174 P175 V176Y120-L172 HydrophobicContact CD2-CD1 3.79Å; Y120-L172 HydrophobicContact CD2-CD2 4Å; Y120-L172 HydrophobicContact CD2-CG 4.49Å; Y120-L172 HydrophobicContact CE2-CD1 4.14Å; I123-L172 HydrophobicContact CD1-CD2 3.74Å; G168-L172 VanDerWaalsContact O-CB 3.27Å; G168-L172 WeakPolarHBondContact O-CB 3.38Å; G168-L172 PolarHBondContact O-N 3.34Å; I169-L172 WeakPolarHBondContact O-CB 3.39Å; I169-L172 PolarHBondContact O-N 3.13Å; A170-L172 VanDerWaalsContact C-N 3.28Å; A170-L172 PolarHBondContact O-N 2.92Å; L172-L174 PolarHBondContact O-N 3.13Å; L172-P175 VanDerWaalsContact O-CD 3.28Å; L172-P175 WeakPolarHBondContact O-CD 3.32Å; L172-P175 WeakPolarHBondContact O-CG 3.39Å; L172-V176 HydrophobicContact CD1-CG2 3.63Å; L172-V176 HydrophobicContact CD2-CG2 4.31Å; L172-V176 HydrophobicContact CG-CG2 3.61Å; L172-V176 WeakPolarHBondContact O-CB 3.36Å; L172-V176 WeakPolarHBondContact O-CG2 3.27Å; L172-V176 PolarHBondContact O-N 2.87Å; L172-V176 VanDerWaalsContact O-N 3.07Å
173T98.9Very high98.6Very high1 Ų148.9 Ų48.91%0.00627%0.274CS..Hα-helixtrans-59.4-53.6-168-50.60000113.2I169 A170 G171 A177 S189 T241 V242I169-T173 PolarHBondContact O-N 3.22Å; I169-T173 PolarHBondContact O-OG1 2.85Å; I169-T173 VanDerWaalsContact O-OG1 3.05Å; A170-T173 WeakPolarHBondContact O-CB 3.35Å; A170-T173 PolarHBondContact O-N 3.29Å; A170-T173 PolarHBondContact O-OG1 3.48Å; G171-T173 VanDerWaalsContact C-N 3.33Å; T173-A177 WeakPolarHBondContact O-CB 3.48Å; T173-A177 PolarHBondContact O-N 3.41Å; T173-S189 WeakPolarHBondContact OG1-CB 3.26Å; T173-S189 PolarHBondContact OG1-OG 3.33Å; T173-T241 WeakPolarHBondContact CG2-O 3.39Å; T173-V242 HydrophobicContact CG2-CG2 4.39Å
174L98.9Very high98.6Very high74 Ų7447.9 Ų47.939%0.38727%0.267SS..Hα-helixtrans-68.5-46.2-178.1-17860.6000113.7L172 A177 R178L172-L174 PolarHBondContact O-N 3.13Å; L174-A177 PolarHBondContact O-N 2.86Å; L174-R178 HydrophobicContact CD1-CG 4.43Å; L174-R178 WeakPolarHBondContact O-CG 3.44Å; L174-R178 PolarHBondContact O-N 3.03Å
175P98.9Very high98.6Very high55 Ų5545.9 Ų45.936%0.35725%0.25SS..Hα-helixtrans-63.2-41.5177.421.2-30.4000112.3G171 L172 A177 R178 D179G171-P175 WeakPolarHBondContact O-CD 3.47Å; G171-P175 VanDerWaalsContact O-CG 3.31Å; G171-P175 WeakPolarHBondContact O-CG 3.49Å; L172-P175 VanDerWaalsContact O-CD 3.28Å; L172-P175 WeakPolarHBondContact O-CD 3.32Å; L172-P175 WeakPolarHBondContact O-CG 3.39Å; P175-A177 PolarHBondContact O-N 2.95Å; P175-R178 WeakPolarHBondContact O-CB 3.28Å; P175-R178 PolarHBondContact O-N 3.06Å; P175-R178 VanDerWaalsContact O-N 3.08Å; P175-D179 PolarHBondContact O-N 3.17Å
176V98.9Very high98.6Very high6 Ų646.1 Ų46.14%0.03625%0.251CS..Hα-helixtrans-63.3-41.1175.2170.50000111.8I123 L172 R178 D179 L180 C187I123-V176 HydrophobicContact CG2-CG1 3.89Å; I123-V176 HydrophobicContact CG2-CG2 4.47Å; L172-V176 HydrophobicContact CD1-CG2 3.63Å; L172-V176 HydrophobicContact CD2-CG2 4.31Å; L172-V176 HydrophobicContact CG-CG2 3.61Å; L172-V176 WeakPolarHBondContact O-CB 3.36Å; L172-V176 WeakPolarHBondContact O-CG2 3.27Å; L172-V176 PolarHBondContact O-N 2.87Å; L172-V176 VanDerWaalsContact O-N 3.07Å; V176-R178 PolarHBondContact O-N 2.66Å; V176-D179 PolarHBondContact O-N 3.01Å; V176-L180 HydrophobicContact CG1-CD1 3.85Å; V176-L180 HydrophobicContact CG1-CG 4.46Å; V176-L180 WeakPolarHBondContact O-CG 3.35Å; V176-L180 PolarHBondContact O-N 3.38Å; V176-L180 VanDerWaalsContact O-N 3.09Å; V176-C187 HydrophobicContact CB-CB 4.39Å; V176-C187 HydrophobicContact CG1-CB 3.93Å
177A98.9Very high98.6Very high3 Ų345.7 Ų45.73%0.02525%0.249CC..Hα-helixtrans-59.2-35.7173.700000112.5T173 L174 P175 A181 C187 N239T173-A177 WeakPolarHBondContact O-CB 3.48Å; T173-A177 PolarHBondContact O-N 3.41Å; L174-A177 PolarHBondContact O-N 2.86Å; P175-A177 PolarHBondContact O-N 2.95Å; A177-A181 WeakPolarHBondContact O-CB 3.34Å; A177-A181 PolarHBondContact O-N 2.96Å; A177-A181 VanDerWaalsContact O-N 3.17Å; A177-C187 HydrophobicContact CB-CB 3.98Å; A177-N239 VanDerWaalsContact CB-OD1 3.31Å; A177-N239 WeakPolarHBondContact CB-OD1 3.35Å
178R98.8Very high98.7Very high172 Ų17244.5 Ų44.565%0.64924%0.237SC*.Hα-helixtrans-73.2-44.3177-74.4171.1171.2165.8-2.6112.1L174 P175 V176 L180 A181L174-R178 HydrophobicContact CD1-CG 4.43Å; L174-R178 WeakPolarHBondContact O-CG 3.44Å; L174-R178 PolarHBondContact O-N 3.03Å; P175-R178 WeakPolarHBondContact O-CB 3.28Å; P175-R178 PolarHBondContact O-N 3.06Å; P175-R178 VanDerWaalsContact O-N 3.08Å; V176-R178 PolarHBondContact O-N 2.66Å; R178-L180 PolarHBondContact O-N 3.31Å; R178-A181 WeakPolarHBondContact O-CB 3.48Å; R178-A181 PolarHBondContact O-N 3.37Å
179D98.7Very high98.7Very high121 Ų12143.4 Ų43.465%0.64723%0.225SC*.Hα-helixtrans-58.7-39.7179.1-73.8-8.8000111.3P175 V176P175-D179 PolarHBondContact O-N 3.17Å; V176-D179 PolarHBondContact O-N 3.01Å
180L98.7Very high98.7Very high22 Ų2243.4 Ų43.412%0.11523%0.225CC..THydrogen-bonded Turntrans-98.94.6-175.8-53.4175.3000114.2S127 I144 V176 R178 R182 E183 G184 I185S127-L180 WeakPolarHBondContact OG-CD1 3.43Å; I144-L180 HydrophobicContact CD1-CD1 3.73Å; V176-L180 HydrophobicContact CG1-CD1 3.85Å; V176-L180 HydrophobicContact CG1-CG 4.46Å; V176-L180 WeakPolarHBondContact O-CG 3.35Å; V176-L180 PolarHBondContact O-N 3.38Å; V176-L180 VanDerWaalsContact O-N 3.09Å; R178-L180 PolarHBondContact O-N 3.31Å; L180-R182 PolarHBondContact O-N 3.34Å; L180-E183 CarbonylContact O-C 3.58Å; L180-E183 PolarHBondContact O-N 2.93Å; L180-E183 VanDerWaalsContact O-N 3.14Å; L180-G184 PolarHBondContact O-N 2.78Å; L180-I185 HydrophobicContact CB-CB 3.9Å; L180-I185 HydrophobicContact CD1-CB 4.19Å; L180-I185 HydrophobicContact CD1-CD1 4.45Å; L180-I185 HydrophobicContact CD1-CG2 4Å; L180-I185 PolarHBondContact O-N 3.44Å
181A98.4Very high98.7Very high53 Ų5342.7 Ų42.744%0.43822%0.219SC..THydrogen-bonded Turntrans-60.5-42.7-175.600000112.6A177 R178 E183 G184A177-A181 WeakPolarHBondContact O-CB 3.34Å; A177-A181 PolarHBondContact O-N 2.96Å; A177-A181 VanDerWaalsContact O-N 3.17Å; R178-A181 WeakPolarHBondContact O-CB 3.48Å; R178-A181 PolarHBondContact O-N 3.37Å; A181-E183 PolarHBondContact O-N 3.03Å; A181-G184 PolarHBondContact O-N 3.26Å
182R97.4Very high98.6Very high221 Ų22140.5 Ų40.583%0.83420%0.196SC*.THydrogen-bonded Turntrans-66.1-31.1179.1-67.4-175.2178.9-177.30.3112.2N139 L180 G184N139-R182 PolarHBondContact ND2-O 2.86Å; L180-R182 PolarHBondContact O-N 3.34Å; R182-G184 VanDerWaalsContact C-N 3.27Å; R182-G184 PolarHBondContact O-N 3.15Å
183E98.3Very high98.5Very high76 Ų7639.8 Ų39.836%0.35520%0.195SC..THydrogen-bonded Turntrans-85.82.1179.7-51.1-50.6147.200113.3I131 R141 L180 A181 I185I131-E183 HydrophobicContact CD1-CB 4.41Å; I131-E183 HydrophobicContact CD1-CG 4.11Å; I131-E183 HydrophobicContact CG1-CB 3.91Å; I131-E183 HydrophobicContact CG1-CG 4.12Å; R141-E183 WeakPolarHBondContact CD-O 3.43Å; R141-E183 WeakPolarHBondContact CG-O 3.24Å; L180-E183 CarbonylContact O-C 3.58Å; L180-E183 PolarHBondContact O-N 2.93Å; L180-E183 VanDerWaalsContact O-N 3.14Å; A181-E183 PolarHBondContact O-N 3.03Å; E183-I185 PolarHBondContact O-N 2.96Å
184G98.1Very high98.3Very high3 Ų340.6 Ų40.63%0.03120%0.199CC..THydrogen-bonded Turntrans74.526.1174.600000114.7N139 Q140 R141 G142 L180 A181 R182N139-G184 WeakPolarHBondContact O-CA 3.09Å; Q140-G184 CarbonylContact C-O 3.59Å; Q140-G184 WeakPolarHBondContact CA-O 3.25Å; R141-G184 PolarHBondContact N-O 3.38Å; G142-G184 PolarHBondContact N-O 2.7Å; L180-G184 PolarHBondContact O-N 2.78Å; A181-G184 PolarHBondContact O-N 3.26Å; R182-G184 VanDerWaalsContact C-N 3.27Å; R182-G184 PolarHBondContact O-N 3.15Å
185I98.7Very high98.2Very high2 Ų237.6 Ų37.61%0.0118%0.183CC..EExtended strand (participates in β ladder)trans-110.9121.8178.2-55.5165.7000109.3M130 I131 R141 G142 I144 L180 E183M130-I185 HydrophobicContact CB-CD1 3.54Å; M130-I185 HydrophobicContact CB-CG1 3.98Å; M130-I185 HydrophobicContact SD-CD1 4.41Å; M130-I185 HydrophobicContact SD-CG2 3.87Å; I131-I185 HydrophobicContact CG1-CD1 3.72Å; R141-I185 HydrophobicContact CB-CG1 4.42Å; G142-I185 WeakPolarHBondContact O-CA 3.28Å; I144-I185 HydrophobicContact CD1-CG2 3.86Å; I144-I185 HydrophobicContact CG1-CG2 3.96Å; L180-I185 HydrophobicContact CB-CB 3.9Å; L180-I185 HydrophobicContact CD1-CB 4.19Å; L180-I185 HydrophobicContact CD1-CD1 4.45Å; L180-I185 HydrophobicContact CD1-CG2 4Å; L180-I185 PolarHBondContact O-N 3.44Å; E183-I185 PolarHBondContact O-N 2.96Å
186R98.7Very high97.9Very high5 Ų538.9 Ų38.92%0.01919%0.186CC..EExtended strand (participates in β ladder)trans-83.7147.6175.2-62.9179.9-60.7113.7-4.4110.6Q140 G142 V143 I144 I232 I233 N235 P236 L238 N239Q140-R186 VanDerWaalsContact OE1-CD 3.25Å; Q140-R186 VanDerWaalsContact OE1-CG 3.3Å; G142-R186 PolarHBondContact O-N 3.25Å; G142-R186 VanDerWaalsContact O-N 3.14Å; V143-R186 HydrophobicContact CG2-CB 4.22Å; I144-R186 PolarHBondContact N-O 3.38Å; R186-I232 PolarHBondContact NH1-O 2.85Å; R186-I232 PolarHBondContact NH2-O 3.09Å; R186-I233 PolarHBondContact NH2-O 3.31Å; R186-N235 PolarHBondContact NH1-O 2.88Å; R186-N235 VanDerWaalsContact NH1-O 3.16Å; R186-P236 VanDerWaalsContact CD-O 3.29Å; R186-P236 WeakPolarHBondContact CD-O 3.46Å; R186-L238 WeakPolarHBondContact CD-O 3.48Å; R186-L238 PolarHBondContact NH1-O 3.33Å; R186-N239 VanDerWaalsContact CA-OD1 3.31Å; R186-N239 WeakPolarHBondContact CA-OD1 3.48Å; R186-N239 HydrophobicContact CB-CB 4.3Å; R186-N239 HydrophobicContact CG-CB 4.12Å
187C98.9Very high97.7Very high0 Ų039.3 Ų39.30%019%0.189CC..EExtended strand (participates in β ladder)trans-127.9121.7170.1-169.90000110I144 N146 V176 A177 N239 G240I144-C187 HydrophobicContact CB-CB 4.4Å; I144-C187 WeakPolarHBondContact O-CA 3.23Å; N146-C187 PolarHBondContact ND2-SG 3.15Å; N146-C187 VanDerWaalsContact ND2-SG 3.36Å; V176-C187 HydrophobicContact CB-CB 4.39Å; V176-C187 HydrophobicContact CG1-CB 3.93Å; A177-C187 HydrophobicContact CB-CB 3.98Å; C187-N239 PolarHBondContact N-OD1 2.97Å; C187-N239 PolarHBondContact O-OD1 2.91Å; C187-G240 WeakPolarHBondContact O-CA 3.09Å; C187-G240 PolarHBondContact O-N 3.47Å
188V98.9Very high97.3Very high0 Ų043.1 Ų43.10%021%0.213CC..EExtended strand (participates in β ladder)trans-130.3145.9178.4-179.80000108.1I144 I145 N146 I232 L238 T241 I243I144-V188 PolarHBondContact O-N 2.92Å; I145-V188 CarbonylContact C-O 3.48Å; I145-V188 VanDerWaalsContact CA-O 3.26Å; I145-V188 WeakPolarHBondContact CA-O 3.17Å; N146-V188 PolarHBondContact N-O 3.36Å; V188-I232 HydrophobicContact CB-CG2 3.82Å; V188-I232 HydrophobicContact CG1-CD1 3.79Å; V188-I232 HydrophobicContact CG1-CG1 4.15Å; V188-I232 HydrophobicContact CG1-CG2 4.07Å; V188-I232 HydrophobicContact CG2-CG2 3.85Å; V188-L238 HydrophobicContact CG2-CB 4.21Å; V188-L238 WeakPolarHBondContact CG2-O 3.13Å; V188-T241 HydrophobicContact CG1-CG2 4.22Å; V188-I243 HydrophobicContact CG1-CD1 4.16Å; V188-I243 HydrophobicContact CG1-CG1 4.43Å
189S98.9Very high96.8Very high0 Ų038.3 Ų38.30%020%0.2CC..EExtended strand (participates in β ladder)trans-116.3144.3170.6-65.30000110.4N146 T173 T241 V242 I243N146-S189 WeakPolarHBondContact CB-OG 3.49Å; N146-S189 PolarHBondContact ND2-OG 2.85Å; N146-S189 CarbonylContact O-C 3.55Å; N146-S189 WeakPolarHBondContact O-CA 3.17Å; T173-S189 WeakPolarHBondContact OG1-CB 3.26Å; T173-S189 PolarHBondContact OG1-OG 3.33Å; S189-T241 PolarHBondContact N-O 3.09Å; S189-V242 CarbonylContact O-C 3.55Å; S189-V242 VanDerWaalsContact O-CA 3.27Å; S189-V242 WeakPolarHBondContact O-CA 3.49Å; S189-I243 PolarHBondContact O-N 3.49Å
190I98.9Very high96.2Very high0 Ų033.3 Ų33.30%017%0.173CC..EExtended strand (participates in β ladder)trans-103135.2167.3-57.4170.2000106.8I145 N146 A148 P192 F225 L228 V229 I232 I243 L245I145-I190 HydrophobicContact CG2-CD1 3.93Å; I145-I190 HydrophobicContact CG2-CG1 4.2Å; N146-I190 PolarHBondContact O-N 2.73Å; A148-I190 WeakPolarHBondContact CA-O 3.39Å; A148-I190 WeakPolarHBondContact CB-O 3.11Å; A148-I190 PolarHBondContact N-O 3.21Å; I190-P192 HydrophobicContact CG2-CG 4.19Å; I190-P192 VanDerWaalsContact O-CD 3.31Å; I190-P192 WeakPolarHBondContact O-CD 3.24Å; I190-F225 HydrophobicContact CB-CE2 3.77Å; I190-F225 HydrophobicContact CB-CZ 4.42Å; I190-F225 HydrophobicContact CD1-CD2 4.22Å; I190-F225 HydrophobicContact CD1-CE1 4.45Å; I190-F225 HydrophobicContact CD1-CE2 3.7Å; I190-F225 HydrophobicContact CD1-CZ 3.83Å; I190-F225 HydrophobicContact CG1-CE2 4.35Å; I190-F225 HydrophobicContact CG2-CD2 3.92Å; I190-F225 HydrophobicContact CG2-CE2 3.62Å; I190-L228 HydrophobicContact CB-CD2 4.46Å; I190-L228 HydrophobicContact CD1-CB 4.3Å; I190-L228 HydrophobicContact CD1-CD2 3.92Å; I190-L228 HydrophobicContact CD1-CG 3.91Å; I190-L228 HydrophobicContact CG1-CD2 3.87Å; I190-L228 HydrophobicContact CG1-CG 4.25Å; I190-L228 HydrophobicContact CG2-CD2 3.78Å; I190-V229 HydrophobicContact CD1-CG2 3.81Å; I190-I232 HydrophobicContact CD1-CD1 3.7Å; I190-I232 HydrophobicContact CG1-CD1 3.6Å; I190-I243 CarbonylContact C-O 3.44Å; I190-I243 WeakPolarHBondContact CA-O 3.41Å; I190-L245 HydrophobicContact CG2-CB 3.97Å; I190-L245 HydrophobicContact CG2-CD2 4.44Å
191A98.7Very high95.4Very high0 Ų036.3 Ų36.30%019%0.189CC..EExtended strand (participates in β ladder)trans-110.388.9172.500000109A148 Y153 V242 I243 R244 L245A148-A191 HydrophobicContact CB-CB 4.32Å; Y153-A191 HydrophobicContact CE2-CB 3.94Å; A191-V242 HydrophobicContact CB-CG1 3.88Å; A191-I243 PolarHBondContact N-O 3.23Å; A191-R244 HydrophobicContact CB-CG 4.46Å; A191-R244 WeakPolarHBondContact O-CA 3.5Å; A191-L245 PolarHBondContact O-N 2.67Å
192P98.3Very high94.7Very high8 Ų837.8 Ų37.85%0.05220%0.201CC..EExtended strand (participates in β ladder)trans-67.6144.7179.3-18.432.1000111.4L19 T147 V150 I190 F195 F225 L245L19-P192 HydrophobicContact CD1-CB 4.42Å; L19-P192 HydrophobicContact CD1-CG 3.97Å; T147-P192 HydrophobicContact CG2-CG 3.86Å; V150-P192 PolarHBondContact N-O 2.98Å; I190-P192 HydrophobicContact CG2-CG 4.19Å; I190-P192 VanDerWaalsContact O-CD 3.31Å; I190-P192 WeakPolarHBondContact O-CD 3.24Å; P192-F195 HydrophobicContact CB-CD2 3.75Å; P192-F195 HydrophobicContact CB-CE2 3.78Å; P192-F225 HydrophobicContact CG-CD2 3.9Å; P192-F225 HydrophobicContact CG-CE2 3.76Å; P192-L245 WeakPolarHBondContact CA-O 3.47Å
193G95.7Very high93.8Very high13 Ų1329.6 Ų29.613%0.13418%0.176CC..  trans-75.3-139.5158.700000111.5L245G193-L245 PolarHBondContact N-O 2.77Å
194F94.5Very high92.8Very high19 Ų1930.5 Ų30.58%0.08319%0.188CC..SBendtrans-82.6125.7176.4-55.7-56.1000111F200 L209 L212 I219 G220 V249 M251F194-F200 HydrophobicContact CB-CD2 4.19Å; F194-F200 HydrophobicContact CB-CE2 3.74Å; F194-F200 HydrophobicContact CB-CZ 4.02Å; F194-F200 AromaticContact CD1-CD2 3.82Å; F194-F200 HydrophobicContact CD1-CD2 3.82Å; F194-F200 AromaticContact CD1-CE2 3.31Å; F194-F200 HydrophobicContact CD1-CE2 3.31Å; F194-F200 HydrophobicContact CD1-CZ 4.25Å; F194-F200 HydrophobicContact CE1-CE2 4.1Å; F194-F200 HydrophobicContact CG-CD2 4.38Å; F194-F200 AromaticContact CG-CE2 3.7Å; F194-F200 HydrophobicContact CG-CE2 3.7Å; F194-F200 HydrophobicContact CG-CZ 4.22Å; F194-L209 HydrophobicContact CD1-CB 4.49Å; F194-L209 HydrophobicContact CD2-CB 4.29Å; F194-L209 WeakPolarHBondContact CD2-O 3.46Å; F194-L209 HydrophobicContact CE1-CB 4.26Å; F194-L209 HydrophobicContact CE1-CD1 3.97Å; F194-L209 HydrophobicContact CE1-CG 4.48Å; F194-L209 HydrophobicContact CE2-CB 4.05Å; F194-L209 HydrophobicContact CE2-CD2 4.46Å; F194-L209 HydrophobicContact CZ-CB 4.03Å; F194-L209 HydrophobicContact CZ-CD1 4.23Å; F194-L209 HydrophobicContact CZ-CD2 3.96Å; F194-L209 HydrophobicContact CZ-CG 4.29Å; F194-L212 HydrophobicContact CE2-CB 4.24Å; F194-L212 HydrophobicContact CE2-CD1 4.04Å; F194-L212 HydrophobicContact CZ-CD1 4.42Å; F194-I219 HydrophobicContact CB-CB 4.35Å; F194-I219 HydrophobicContact CB-CG2 3.62Å; F194-I219 WeakPolarHBondContact O-CA 3.06Å; F194-I219 WeakPolarHBondContact O-CB 3.43Å; F194-G220 PolarHBondContact O-N 2.89Å; F194-V249 HydrophobicContact CD2-CG2 4.34Å; F194-V249 HydrophobicContact CE2-CG2 3.86Å; F194-M251 HydrophobicContact CE1-SD 3.95Å; F194-M251 HydrophobicContact CZ-CG 4.01Å; F194-M251 HydrophobicContact CZ-SD 3.8Å
195F96.1Very high91.9Very high11 Ų1136.1 Ų36.15%0.04822%0.217CC..BIsolated β-bridgetrans-128.8143.2179.1-86.1-104.9000111.1L19 P192 T197 F200 G220 K221 E224 F225 L245L19-F195 HydrophobicContact CD2-CB 3.89Å; L19-F195 HydrophobicContact CD2-CD1 3.65Å; L19-F195 HydrophobicContact CD2-CE1 4.43Å; L19-F195 HydrophobicContact CD2-CG 3.86Å; P192-F195 HydrophobicContact CB-CD2 3.75Å; P192-F195 HydrophobicContact CB-CE2 3.78Å; F195-T197 HydrophobicContact CB-CG2 4.13Å; F195-T197 PolarHBondContact O-N 2.89Å; F195-T197 PolarHBondContact O-OG1 3.38Å; F195-F200 WeakPolarHBondContact O-CB 3.27Å; F195-G220 CarbonylContact C-O 3.54Å; F195-G220 VanDerWaalsContact CA-O 3.27Å; F195-G220 WeakPolarHBondContact CA-O 3.49Å; F195-G220 VanDerWaalsContact CD1-C 3.42Å; F195-G220 WeakPolarHBondContact CD1-O 3.31Å; F195-K221 WeakPolarHBondContact CD1-O 3.33Å; F195-K221 WeakPolarHBondContact CE1-O 3.36Å; F195-E224 HydrophobicContact CE1-CB 4.28Å; F195-F225 HydrophobicContact CD1-CB 4.43Å; F195-F225 HydrophobicContact CE1-CB 3.92Å; F195-F225 HydrophobicContact CZ-CB 4.43Å; F195-L245 HydrophobicContact CE1-CD2 4.32Å; F195-L245 HydrophobicContact CE2-CD2 4.35Å; F195-L245 HydrophobicContact CE2-CG 4.31Å; F195-L245 WeakPolarHBondContact CE2-O 3.49Å; F195-L245 HydrophobicContact CZ-CD2 3.56Å; F195-L245 HydrophobicContact CZ-CG 3.79Å
196D94.1Very high91.1Very high82 Ų8236.8 Ų36.844%0.43922%0.223SC..SBendtrans-6891.9177.4-168.57.8000110.8N201 I219 G220 P222D196-N201 PolarHBondContact OD1-ND2 3.48Å; D196-I219 HydrophobicContact CB-CD1 3.59Å; D196-I219 HydrophobicContact CB-CG1 4.17Å; D196-G220 PolarHBondContact N-O 2.88Å; D196-P222 WeakPolarHBondContact O-CD 3.4Å; D196-P222 WeakPolarHBondContact O-CG 3.48Å
197T93.2Very high90.3Very high15 Ų1542.5 Ų42.59%0.09225%0.25CC..SBendtrans-142.5156.4-176.7600000109L19 F195 L199 F200 N201 P222L19-T197 HydrophobicContact CD2-CG2 3.88Å; L19-T197 HydrophobicContact CG-CG2 4.02Å; F195-T197 HydrophobicContact CB-CG2 4.13Å; F195-T197 PolarHBondContact O-N 2.89Å; F195-T197 PolarHBondContact O-OG1 3.38Å; T197-L199 PolarHBondContact O-N 3.39Å; T197-L199 VanDerWaalsContact O-N 3.1Å; T197-F200 PolarHBondContact O-N 2.96Å; T197-F200 PolarHBondContact OG1-N 3.35Å; T197-N201 WeakPolarHBondContact O-CB 3.4Å; T197-N201 VanDerWaalsContact O-CG 3.26Å; T197-N201 PolarHBondContact O-N 3.3Å; T197-N201 PolarHBondContact O-ND2 2.95Å; T197-P222 HydrophobicContact CG2-CG 4.14Å
198P90.9Very high89.6Confident82 Ų8248 Ų4853%0.53228%0.279SS..Hα-helixtrans-53.4-33.3173.9-29.638.4000113.2S17 N201 A202S17-P198 WeakPolarHBondContact OG-CG 3.45Å; P198-N201 PolarHBondContact O-N 2.83Å; P198-A202 PolarHBondContact O-N 3.19Å
199L88.1Confident88.9Confident72 Ų7248.7 Ų48.738%0.37728%0.283SS..Hα-helixtrans-63.4-47.9176.9-17368.6000112.3A89 T197A89-L199 HydrophobicContact CB-CD1 3.78Å; A89-L199 HydrophobicContact CB-CD2 4.25Å; A89-L199 HydrophobicContact CB-CG 4.2Å; T197-L199 PolarHBondContact O-N 3.39Å; T197-L199 VanDerWaalsContact O-N 3.1Å
200F86Confident88.1Confident15 Ų1551.6 Ų51.67%0.06630%0.295CS..Hα-helixtrans-69.4-37.2178.7178.5-105.2000111.8F194 F195 T197 A202 V203 A206 L209 K210 I219F194-F200 HydrophobicContact CB-CD2 4.19Å; F194-F200 HydrophobicContact CB-CE2 3.74Å; F194-F200 HydrophobicContact CB-CZ 4.02Å; F194-F200 AromaticContact CD1-CD2 3.82Å; F194-F200 HydrophobicContact CD1-CD2 3.82Å; F194-F200 AromaticContact CD1-CE2 3.31Å; F194-F200 HydrophobicContact CD1-CE2 3.31Å; F194-F200 HydrophobicContact CD1-CZ 4.25Å; F194-F200 HydrophobicContact CE1-CE2 4.1Å; F194-F200 HydrophobicContact CG-CD2 4.38Å; F194-F200 AromaticContact CG-CE2 3.7Å; F194-F200 HydrophobicContact CG-CE2 3.7Å; F194-F200 HydrophobicContact CG-CZ 4.22Å; F195-F200 WeakPolarHBondContact O-CB 3.27Å; T197-F200 PolarHBondContact O-N 2.96Å; T197-F200 PolarHBondContact OG1-N 3.35Å; F200-A202 PolarHBondContact O-N 2.82Å; F200-A202 VanDerWaalsContact O-N 3.16Å; F200-V203 WeakPolarHBondContact O-CB 3.4Å; F200-V203 WeakPolarHBondContact O-CG2 3.27Å; F200-V203 PolarHBondContact O-N 3.14Å; F200-A206 HydrophobicContact CE1-CB 3.94Å; F200-A206 HydrophobicContact CZ-CB 4.06Å; F200-L209 HydrophobicContact CE2-CB 4.08Å; F200-L209 HydrophobicContact CE2-CD1 4.04Å; F200-L209 HydrophobicContact CZ-CB 3.96Å; F200-K210 HydrophobicContact CE1-CG 4.23Å; F200-K210 HydrophobicContact CZ-CG 4.45Å; F200-I219 HydrophobicContact CD1-CD1 4.12Å; F200-I219 HydrophobicContact CE1-CD1 3.96Å; F200-I219 HydrophobicContact CE1-CG2 3.86Å; F200-I219 HydrophobicContact CZ-CG2 4Å
201N83.4Confident87.5Confident86 Ų8658.8 Ų58.846%0.4633%0.326SS..Hα-helixtrans-68.4-14.8-177.6-66-20.2000113D196 T197 P198D196-N201 PolarHBondContact OD1-ND2 3.48Å; T197-N201 WeakPolarHBondContact O-CB 3.4Å; T197-N201 VanDerWaalsContact O-CG 3.26Å; T197-N201 PolarHBondContact O-N 3.3Å; T197-N201 PolarHBondContact O-ND2 2.95Å; P198-N201 PolarHBondContact O-N 2.83Å
202A82.5Confident87.1Confident83 Ų8361.5 Ų61.569%0.68634%0.341SS*.THydrogen-bonded Turntrans-86.1-6.8172.100000114.1P198 F200P198-A202 PolarHBondContact O-N 3.19Å; F200-A202 PolarHBondContact O-N 2.82Å; F200-A202 VanDerWaalsContact O-N 3.16Å
203V80Confident86.9Confident50 Ų5061.2 Ų61.230%0.30334%0.339SS..SBendtrans-79.2132.3-176.8-178.40000110.5F200 N205 A206 L209F200-V203 WeakPolarHBondContact O-CB 3.4Å; F200-V203 WeakPolarHBondContact O-CG2 3.27Å; F200-V203 PolarHBondContact O-N 3.14Å; V203-N205 PolarHBondContact O-N 3.45Å; V203-A206 PolarHBondContact O-N 3.38Å; V203-L209 HydrophobicContact CG1-CD1 4.03Å
204P76.3Confident86.8Confident94 Ų9467 Ų6761%0.6137%0.366SS*.THydrogen-bonded Turntrans-56.8138.2170.7-23.533.5000111.3A206P204-A206 VanDerWaalsContact C-N 3.35Å; P204-A206 PolarHBondContact O-N 3.32Å
205N80.2Confident86.9Confident121 Ų12172.4 Ų72.465%0.64740%0.396SS*.THydrogen-bonded Turntrans66.125.5-179.7-47.9-41.9000115.6V203 E207 L208 L209V203-N205 PolarHBondContact O-N 3.45Å; N205-E207 PolarHBondContact O-N 3.33Å; N205-E207 VanDerWaalsContact O-N 3.09Å; N205-L208 HydrophobicContact CB-CB 4.32Å; N205-L208 WeakPolarHBondContact O-CB 3.01Å; N205-L208 PolarHBondContact O-N 3.37Å; N205-L209 PolarHBondContact O-N 3.2Å
206A81.1Confident86.8Confident17 Ų1774.5 Ų74.514%0.1441%0.41CS..Hα-helixtrans-47.4-40.6176.500000113.2F200 V203 P204 L208 L209 K210F200-A206 HydrophobicContact CE1-CB 3.94Å; F200-A206 HydrophobicContact CZ-CB 4.06Å; V203-A206 PolarHBondContact O-N 3.38Å; P204-A206 VanDerWaalsContact C-N 3.35Å; P204-A206 PolarHBondContact O-N 3.32Å; A206-L208 VanDerWaalsContact C-N 3.32Å; A206-L208 PolarHBondContact O-N 3.08Å; A206-L209 PolarHBondContact O-N 3.46Å; A206-K210 WeakPolarHBondContact O-CG 3.38Å; A206-K210 PolarHBondContact O-N 2.81Å
207E82.1Confident86.7Confident124 Ų12475.3 Ų75.358%0.57942%0.415SS*.Hα-helixtrans-59.6-35.5176.9-73.6-55.7138.200114.5N205 K210N205-E207 PolarHBondContact O-N 3.33Å; N205-E207 VanDerWaalsContact O-N 3.09Å; E207-K210 WeakPolarHBondContact OE1-CE 3.36Å; E207-K210 IonicContact OE1-NZ 3.34Å; E207-K210 PolarHBondContact OE1-NZ 2.78Å; E207-K210 IonicContact OE2-NZ 2.66Å
208L83.4Confident86.7Confident115 Ų11578.7 Ų78.760%0.60243%0.426SS*.Hα-helixtrans-71.7-43.9176.1-172.170.3000110.3N205 A206 K210 K211N205-L208 HydrophobicContact CB-CB 4.32Å; N205-L208 WeakPolarHBondContact O-CB 3.01Å; N205-L208 PolarHBondContact O-N 3.37Å; A206-L208 VanDerWaalsContact C-N 3.32Å; A206-L208 PolarHBondContact O-N 3.08Å; L208-K210 PolarHBondContact O-N 3.01Å; L208-K211 PolarHBondContact O-N 3.41Å; L208-K211 VanDerWaalsContact O-N 3.17Å
209L83.9Confident86.8Confident16 Ų1675.6 Ų75.68%0.08441%0.405CS..Hα-helixtrans-63.2-31.2-178.9-61.2179.2000112.3F194 F200 V203 N205 A206 K211 L212F194-L209 HydrophobicContact CD1-CB 4.49Å; F194-L209 HydrophobicContact CD2-CB 4.29Å; F194-L209 WeakPolarHBondContact CD2-O 3.46Å; F194-L209 HydrophobicContact CE1-CB 4.26Å; F194-L209 HydrophobicContact CE1-CD1 3.97Å; F194-L209 HydrophobicContact CE1-CG 4.48Å; F194-L209 HydrophobicContact CE2-CB 4.05Å; F194-L209 HydrophobicContact CE2-CD2 4.46Å; F194-L209 HydrophobicContact CZ-CB 4.03Å; F194-L209 HydrophobicContact CZ-CD1 4.23Å; F194-L209 HydrophobicContact CZ-CD2 3.96Å; F194-L209 HydrophobicContact CZ-CG 4.29Å; F200-L209 HydrophobicContact CE2-CB 4.08Å; F200-L209 HydrophobicContact CE2-CD1 4.04Å; F200-L209 HydrophobicContact CZ-CB 3.96Å; V203-L209 HydrophobicContact CG1-CD1 4.03Å; N205-L209 PolarHBondContact O-N 3.2Å; A206-L209 PolarHBondContact O-N 3.46Å; L209-K211 PolarHBondContact O-N 2.93Å; L209-K211 VanDerWaalsContact O-N 3.07Å; L209-L212 HydrophobicContact CD2-CD1 3.64Å; L209-L212 WeakPolarHBondContact O-CB 3.49Å; L209-L212 PolarHBondContact O-N 2.86Å; L209-L212 VanDerWaalsContact O-N 3.12Å
210K82.6Confident87.2Confident61 Ų6172.6 Ų72.627%0.26539%0.391SS..THydrogen-bonded Turntrans-55.4-26.6176-72.1176.4-176.6179.70113.6F200 A206 E207 L208 I219F200-K210 HydrophobicContact CE1-CG 4.23Å; F200-K210 HydrophobicContact CZ-CG 4.45Å; A206-K210 WeakPolarHBondContact O-CG 3.38Å; A206-K210 PolarHBondContact O-N 2.81Å; E207-K210 WeakPolarHBondContact OE1-CE 3.36Å; E207-K210 IonicContact OE1-NZ 3.34Å; E207-K210 PolarHBondContact OE1-NZ 2.78Å; E207-K210 IonicContact OE2-NZ 2.66Å; L208-K210 PolarHBondContact O-N 3.01Å; K210-I219 HydrophobicContact CB-CG2 4.1Å; K210-I219 HydrophobicContact CG-CD1 4.3Å; K210-I219 HydrophobicContact CG-CG2 3.61Å
211K85.8Confident87.7Confident150 Ų15077.4 Ų77.465%0.65241%0.412SS*.THydrogen-bonded Turntrans-90.9-6.7-175.6-60.9-179.2-179.2179.30113.9L208 L209 N217L208-K211 PolarHBondContact O-N 3.41Å; L208-K211 VanDerWaalsContact O-N 3.17Å; L209-K211 PolarHBondContact O-N 2.93Å; L209-K211 VanDerWaalsContact O-N 3.07Å; K211-N217 PolarHBondContact O-ND2 2.99Å; K211-N217 VanDerWaalsContact O-ND2 3.17Å
212L91.2Very high88.5Confident57 Ų5774.1 Ų74.130%0.29840%0.395SS..  trans-79.7-21.5-175.8-63.5179.3000113.6F194 L209 L214 V249 P252F194-L212 HydrophobicContact CE2-CB 4.24Å; F194-L212 HydrophobicContact CE2-CD1 4.04Å; F194-L212 HydrophobicContact CZ-CD1 4.42Å; L209-L212 HydrophobicContact CD2-CD1 3.64Å; L209-L212 WeakPolarHBondContact O-CB 3.49Å; L209-L212 PolarHBondContact O-N 2.86Å; L209-L212 VanDerWaalsContact O-N 3.12Å; L212-L214 PolarHBondContact O-N 2.78Å; L212-V249 HydrophobicContact CB-CG2 3.65Å; L212-P252 HydrophobicContact CD1-CG 4.08Å
213S93.4Very high89.2Confident3 Ų375.3 Ų75.32%0.02139%0.387CS..  trans-63.6131.2173.3-55.50000110.2P216 N217 R218S213-P216 WeakPolarHBondContact CB-O 3.47Å; S213-N217 PolarHBondContact O-ND2 2.83Å; S213-R218 WeakPolarHBondContact CB-O 3.21Å; S213-R218 PolarHBondContact OG-O 2.78Å
214L95Very high90.1Very high133 Ų13375.6 Ų75.670%0.69639%0.385SS*.SBendtrans-70.2-60.7-179.4-61.3179.8000110.9L212 G247 G248L212-L214 PolarHBondContact O-N 2.78Å; L214-G247 PolarHBondContact N-O 2.73Å; L214-G248 WeakPolarHBondContact CD1-O 3.45Å
215N95.1Very high91.2Very high133 Ų13371.1 Ų71.171%0.71136%0.356SS*.SBendtrans-156.1128.7177.7-17761.8000110.8G247N215-G247 PolarHBondContact N-O 2.79Å; N215-G247 WeakPolarHBondContact O-CA 3.33Å
216P94.6Very high92.1Very high55 Ų5565.5 Ų65.536%0.35733%0.326SS..SBendcis-63.2140-729.4-36000111.6S213 R218S213-P216 WeakPolarHBondContact CB-O 3.47Å; P216-R218 HydrophobicContact CB-CG 4.06Å; P216-R218 HydrophobicContact CG-CG 4.33Å; P216-R218 PolarHBondContact O-N 3.34Å
217N91.9Very high92.9Very high100 Ų10071 Ų7154%0.53535%0.347SS..SBendtrans-7767179.1-170-96.5000111K211 S213K211-N217 PolarHBondContact O-ND2 2.99Å; K211-N217 VanDerWaalsContact O-ND2 3.17Å; S213-N217 PolarHBondContact O-ND2 2.83Å
218R92.8Very high93.7Very high86 Ų8666.6 Ų66.633%0.32533%0.327SS..SBendtrans-158.6174.7174.356.4165175.382.21.8109.3S213 P216 E224S213-R218 WeakPolarHBondContact CB-O 3.21Å; S213-R218 PolarHBondContact OG-O 2.78Å; P216-R218 HydrophobicContact CB-CG 4.06Å; P216-R218 HydrophobicContact CG-CG 4.33Å; P216-R218 PolarHBondContact O-N 3.34Å; R218-E224 IonicContact CZ-OE1 3.59Å; R218-E224 IonicContact CZ-OE2 2.79Å; R218-E224 IonicContact NH1-OE1 2.67Å; R218-E224 PolarHBondContact NH1-OE1 3.23Å; R218-E224 IonicContact NH1-OE2 2.85Å; R218-E224 PolarHBondContact NH1-OE2 3.25Å; R218-E224 IonicContact NH2-OE1 2.78Å; R218-E224 PolarHBondContact NH2-OE1 2.96Å; R218-E224 IonicContact NH2-OE2 3.85Å
219I93.3Very high94.4Very high17 Ų1761.1 Ų61.19%0.08730%0.299CS..PPolyproline II helixtrans-73.1152.2164.259.4-179.1000110.8F194 D196 F200 K210F194-I219 HydrophobicContact CB-CB 4.35Å; F194-I219 HydrophobicContact CB-CG2 3.62Å; F194-I219 WeakPolarHBondContact O-CA 3.06Å; F194-I219 WeakPolarHBondContact O-CB 3.43Å; D196-I219 HydrophobicContact CB-CD1 3.59Å; D196-I219 HydrophobicContact CB-CG1 4.17Å; F200-I219 HydrophobicContact CD1-CD1 4.12Å; F200-I219 HydrophobicContact CE1-CD1 3.96Å; F200-I219 HydrophobicContact CE1-CG2 3.86Å; F200-I219 HydrophobicContact CZ-CG2 4Å; K210-I219 HydrophobicContact CB-CG2 4.1Å; K210-I219 HydrophobicContact CG-CD1 4.3Å; K210-I219 HydrophobicContact CG-CG2 3.61Å
220G96.6Very high95.1Very high9 Ų962.5 Ų62.59%0.09331%0.305CS..BIsolated β-bridgetrans-64.3145.1173.300000111F194 F195 D196 E224F194-G220 PolarHBondContact O-N 2.89Å; F195-G220 CarbonylContact C-O 3.54Å; F195-G220 VanDerWaalsContact CA-O 3.27Å; F195-G220 WeakPolarHBondContact CA-O 3.49Å; F195-G220 VanDerWaalsContact CD1-C 3.42Å; F195-G220 WeakPolarHBondContact CD1-O 3.31Å; D196-G220 PolarHBondContact N-O 2.88Å; G220-E224 WeakPolarHBondContact CA-OE2 3.4Å
221K97.3Very high95.8Very high116 Ų11661.9 Ų61.950%0.50431%0.31SS..PPolyproline II helixtrans-88138.8168.8-60179.4176.1-177.30108.6F195 E223 E224F195-K221 WeakPolarHBondContact CD1-O 3.33Å; F195-K221 WeakPolarHBondContact CE1-O 3.36Å; K221-E223 VanDerWaalsContact CB-OE2 3.31Å; K221-E223 WeakPolarHBondContact CB-OE2 3.49Å; K221-E223 PolarHBondContact O-N 3.32Å; K221-E224 HydrophobicContact CB-CG 4.23Å; K221-E224 PolarHBondContact N-OE2 3.38Å; K221-E224 WeakPolarHBondContact O-CB 3.39Å; K221-E224 PolarHBondContact O-N 2.89Å
222P98.5Very high96.4Very high16 Ų1654.7 Ų54.710%0.10428%0.279CS..Hα-helixtrans-50.4-30.8178.3-32.239.2000114.8L19 A22 D196 T197 E224 F225 A226L19-P222 HydrophobicContact CD2-CB 4.2Å; L19-P222 HydrophobicContact CD2-CG 4.49Å; A22-P222 VanDerWaalsContact CB-C 3.49Å; A22-P222 HydrophobicContact CB-CB 3.38Å; A22-P222 WeakPolarHBondContact CB-O 3.45Å; D196-P222 WeakPolarHBondContact O-CD 3.4Å; D196-P222 WeakPolarHBondContact O-CG 3.48Å; T197-P222 HydrophobicContact CG2-CG 4.14Å; P222-E224 VanDerWaalsContact C-N 3.25Å; P222-E224 PolarHBondContact O-N 3.34Å; P222-F225 WeakPolarHBondContact O-CB 3.23Å; P222-F225 PolarHBondContact O-N 2.85Å; P222-A226 PolarHBondContact O-N 2.69Å; P222-A226 VanDerWaalsContact O-N 3.11Å
223E98.5Very high96.7Very high108 Ų10852 Ų5251%0.50527%0.265SS..Hα-helixtrans-66-25.7176.8-58.375.2-162.300113K221 A226 K227K221-E223 VanDerWaalsContact CB-OE2 3.31Å; K221-E223 WeakPolarHBondContact CB-OE2 3.49Å; K221-E223 PolarHBondContact O-N 3.32Å; E223-A226 PolarHBondContact O-N 3.29Å; E223-K227 VanDerWaalsContact O-CG 3.28Å; E223-K227 WeakPolarHBondContact O-CG 3.27Å; E223-K227 PolarHBondContact O-N 2.81Å
224E98.7Very high96.9Very high56 Ų5654.3 Ų54.326%0.26228%0.281SS..Hα-helixtrans-72.6-34.8175.8-61.4175.3130.700111.3F195 R218 G220 K221 P222 L228F195-E224 HydrophobicContact CE1-CB 4.28Å; R218-E224 IonicContact CZ-OE1 3.59Å; R218-E224 IonicContact CZ-OE2 2.79Å; R218-E224 IonicContact NH1-OE1 2.67Å; R218-E224 PolarHBondContact NH1-OE1 3.23Å; R218-E224 IonicContact NH1-OE2 2.85Å; R218-E224 PolarHBondContact NH1-OE2 3.25Å; R218-E224 IonicContact NH2-OE1 2.78Å; R218-E224 PolarHBondContact NH2-OE1 2.96Å; R218-E224 IonicContact NH2-OE2 3.85Å; G220-E224 WeakPolarHBondContact CA-OE2 3.4Å; K221-E224 HydrophobicContact CB-CG 4.23Å; K221-E224 PolarHBondContact N-OE2 3.38Å; K221-E224 WeakPolarHBondContact O-CB 3.39Å; K221-E224 PolarHBondContact O-N 2.89Å; P222-E224 VanDerWaalsContact C-N 3.25Å; P222-E224 PolarHBondContact O-N 3.34Å; E224-L228 PolarHBondContact O-N 3.28Å
225F98.9Very high96.9Very high0 Ų051.4 Ų51.40%027%0.266CS..Hα-helixtrans-64.4-46.8169.3179.4-86.3000110.7L19 T147 I190 P192 F195 P222 K227 L228 V229 L245L19-F225 HydrophobicContact CB-CD1 3.89Å; L19-F225 HydrophobicContact CB-CE1 4.14Å; L19-F225 HydrophobicContact CB-CG 4.18Å; L19-F225 HydrophobicContact CD1-CD2 3.84Å; L19-F225 HydrophobicContact CD1-CE2 4.02Å; L19-F225 HydrophobicContact CD1-CG 4.1Å; L19-F225 HydrophobicContact CD1-CZ 4.44Å; L19-F225 HydrophobicContact CD2-CB 3.83Å; L19-F225 HydrophobicContact CD2-CD2 4.48Å; L19-F225 HydrophobicContact CD2-CG 4.05Å; L19-F225 HydrophobicContact CG-CG 4.33Å; T147-F225 HydrophobicContact CG2-CE2 4.03Å; T147-F225 HydrophobicContact CG2-CZ 4.13Å; T147-F225 WeakPolarHBondContact OG1-CZ 3.46Å; I190-F225 HydrophobicContact CB-CE2 3.77Å; I190-F225 HydrophobicContact CB-CZ 4.42Å; I190-F225 HydrophobicContact CD1-CD2 4.22Å; I190-F225 HydrophobicContact CD1-CE1 4.45Å; I190-F225 HydrophobicContact CD1-CE2 3.7Å; I190-F225 HydrophobicContact CD1-CZ 3.83Å; I190-F225 HydrophobicContact CG1-CE2 4.35Å; I190-F225 HydrophobicContact CG2-CD2 3.92Å; I190-F225 HydrophobicContact CG2-CE2 3.62Å; P192-F225 HydrophobicContact CG-CD2 3.9Å; P192-F225 HydrophobicContact CG-CE2 3.76Å; F195-F225 HydrophobicContact CD1-CB 4.43Å; F195-F225 HydrophobicContact CE1-CB 3.92Å; F195-F225 HydrophobicContact CZ-CB 4.43Å; P222-F225 WeakPolarHBondContact O-CB 3.23Å; P222-F225 PolarHBondContact O-N 2.85Å; F225-K227 VanDerWaalsContact C-N 3.28Å; F225-K227 PolarHBondContact O-N 3.46Å; F225-L228 PolarHBondContact O-N 3.29Å; F225-V229 HydrophobicContact CD1-CG2 3.89Å; F225-V229 HydrophobicContact CE1-CG2 3.5Å; F225-V229 HydrophobicContact CZ-CG2 4.11Å; F225-V229 WeakPolarHBondContact O-CG2 3.5Å; F225-V229 PolarHBondContact O-N 3.1Å; F225-L245 HydrophobicContact CB-CD2 4.22Å; F225-L245 HydrophobicContact CD2-CD2 4.34Å
226A98.8Very high96.9Very high3 Ų347.6 Ų47.63%0.02525%0.248CC..Hα-helixtrans-60.7-35.6178.200000112.9A22 K26 P222 E223 V229 E230A22-A226 HydrophobicContact CB-CB 4.37Å; K26-A226 HydrophobicContact CB-CB 3.81Å; K26-A226 HydrophobicContact CG-CB 4.18Å; P222-A226 PolarHBondContact O-N 2.69Å; P222-A226 VanDerWaalsContact O-N 3.11Å; E223-A226 PolarHBondContact O-N 3.29Å; A226-V229 WeakPolarHBondContact O-CB 3.47Å; A226-V229 PolarHBondContact O-N 3.43Å; A226-E230 PolarHBondContact O-N 3.05Å
227K98.5Very high97Very high134 Ų13452.8 Ų52.858%0.58327%0.27SS*.Hα-helixtrans-62.9-41.4171.9-76.1173.1-178.2-175.20112.6E223 F225 E230 A231E223-K227 VanDerWaalsContact O-CG 3.28Å; E223-K227 WeakPolarHBondContact O-CG 3.27Å; E223-K227 PolarHBondContact O-N 2.81Å; F225-K227 VanDerWaalsContact C-N 3.28Å; F225-K227 PolarHBondContact O-N 3.46Å; K227-E230 PolarHBondContact O-N 3.17Å; K227-A231 PolarHBondContact O-N 3.3Å
228L98.8Very high97.3Very high30 Ų3050 Ų5016%0.15726%0.255CS..Hα-helixtrans-67.9-37.2176-178.959000111.6I190 E224 F225 A231 I232 I243 L245I190-L228 HydrophobicContact CB-CD2 4.46Å; I190-L228 HydrophobicContact CD1-CB 4.3Å; I190-L228 HydrophobicContact CD1-CD2 3.92Å; I190-L228 HydrophobicContact CD1-CG 3.91Å; I190-L228 HydrophobicContact CG1-CD2 3.87Å; I190-L228 HydrophobicContact CG1-CG 4.25Å; I190-L228 HydrophobicContact CG2-CD2 3.78Å; E224-L228 PolarHBondContact O-N 3.28Å; F225-L228 PolarHBondContact O-N 3.29Å; L228-A231 PolarHBondContact O-N 3.07Å; L228-I232 HydrophobicContact CD1-CD1 4.32Å; L228-I232 HydrophobicContact CD1-CG1 4.31Å; L228-I232 HydrophobicContact CG-CD1 3.99Å; L228-I232 HydrophobicContact CG-CG1 4.47Å; L228-I232 VanDerWaalsContact O-CG1 3.3Å; L228-I232 WeakPolarHBondContact O-CG1 3.46Å; L228-I232 PolarHBondContact O-N 2.88Å; L228-I243 HydrophobicContact CD1-CD1 4.37Å; L228-I243 HydrophobicContact CD2-CB 4.39Å; L228-I243 HydrophobicContact CD2-CG2 3.95Å; L228-L245 HydrophobicContact CB-CD2 4.2Å; L228-L245 HydrophobicContact CD2-CB 3.96Å; L228-L245 HydrophobicContact CD2-CD1 4.24Å; L228-L245 HydrophobicContact CD2-CD2 3.93Å; L228-L245 HydrophobicContact CD2-CG 4.26Å
229V98.8Very high97.6Very high1 Ų148.9 Ų48.91%0.00626%0.255CS..Hα-helixtrans-56.4-51.1172.91690000110.7T23 V83 I145 I190 F225 A226 A231 I232 I233T23-V229 HydrophobicContact CG2-CB 4.35Å; T23-V229 HydrophobicContact CG2-CG1 3.82Å; T23-V229 HydrophobicContact CG2-CG2 4.32Å; V83-V229 HydrophobicContact CG1-CG1 4.5Å; V83-V229 HydrophobicContact CG1-CG2 4.26Å; V83-V229 HydrophobicContact CG2-CG1 3.93Å; I145-V229 HydrophobicContact CD1-CB 4.48Å; I145-V229 HydrophobicContact CD1-CG1 3.81Å; I145-V229 HydrophobicContact CG2-CG2 4.33Å; I190-V229 HydrophobicContact CD1-CG2 3.81Å; F225-V229 HydrophobicContact CD1-CG2 3.89Å; F225-V229 HydrophobicContact CE1-CG2 3.5Å; F225-V229 HydrophobicContact CZ-CG2 4.11Å; F225-V229 WeakPolarHBondContact O-CG2 3.5Å; F225-V229 PolarHBondContact O-N 3.1Å; A226-V229 WeakPolarHBondContact O-CB 3.47Å; A226-V229 PolarHBondContact O-N 3.43Å; V229-A231 PolarHBondContact O-N 3.16Å; V229-I232 PolarHBondContact O-N 3.32Å; V229-I233 HydrophobicContact CG1-CD1 3.91Å; V229-I233 VanDerWaalsContact O-CG1 3.32Å; V229-I233 WeakPolarHBondContact O-CG1 3.44Å; V229-I233 PolarHBondContact O-N 3.12Å
230E98.2Very high97.9Very high45 Ų4549 Ų4921%0.2126%0.261CS..Hα-helixtrans-56.6-47.6174.7171.3-179.4-130.500111.9L5 K26 A226 K227 I232 I233 C234L5-E230 HydrophobicContact CD1-CB 4.35Å; L5-E230 HydrophobicContact CD1-CG 3.92Å; K26-E230 VanDerWaalsContact CE-OE1 3.3Å; K26-E230 WeakPolarHBondContact CE-OE1 3.29Å; K26-E230 WeakPolarHBondContact CE-OE2 3.31Å; K26-E230 IonicContact NZ-OE1 3.41Å; K26-E230 PolarHBondContact NZ-OE1 3.25Å; K26-E230 IonicContact NZ-OE2 3.48Å; K26-E230 PolarHBondContact NZ-OE2 2.89Å; A226-E230 PolarHBondContact O-N 3.05Å; K227-E230 PolarHBondContact O-N 3.17Å; E230-I232 VanDerWaalsContact C-N 3.26Å; E230-I232 PolarHBondContact O-N 2.97Å; E230-I233 PolarHBondContact O-N 3.01Å; E230-C234 PolarHBondContact O-N 3.07Å; E230-C234 PolarHBondContact O-SG 3.15Å; E230-C234 VanDerWaalsContact O-SG 3.42Å
231A97.8Very high98Very high47 Ų4751.3 Ų51.339%0.38827%0.273SS..Hα-helixtrans-59.3-36.3178.600000112.8K227 L228 V229 N235K227-A231 PolarHBondContact O-N 3.3Å; L228-A231 PolarHBondContact O-N 3.07Å; V229-A231 PolarHBondContact O-N 3.16Å; A231-N235 WeakPolarHBondContact O-CB 3.25Å; A231-N235 PolarHBondContact O-N 3.17Å; A231-N235 VanDerWaalsContact O-N 3.15Å
232I98.3Very high98Very high0 Ų047.5 Ų47.50%026%0.259CS..Hα-helixtrans-68.8-39174.7-68.4161.3000111.5V143 I145 R186 V188 I190 L228 V229 E230 C234 L238 I243V143-I232 HydrophobicContact CG2-CG2 4.24Å; I145-I232 HydrophobicContact CD1-CB 3.95Å; I145-I232 HydrophobicContact CD1-CG2 3.71Å; I145-I232 HydrophobicContact CG1-CB 4.49Å; I145-I232 HydrophobicContact CG1-CG2 3.81Å; I145-I232 HydrophobicContact CG2-CD1 4.23Å; R186-I232 PolarHBondContact NH1-O 2.85Å; R186-I232 PolarHBondContact NH2-O 3.09Å; V188-I232 HydrophobicContact CB-CG2 3.82Å; V188-I232 HydrophobicContact CG1-CD1 3.79Å; V188-I232 HydrophobicContact CG1-CG1 4.15Å; V188-I232 HydrophobicContact CG1-CG2 4.07Å; V188-I232 HydrophobicContact CG2-CG2 3.85Å; I190-I232 HydrophobicContact CD1-CD1 3.7Å; I190-I232 HydrophobicContact CG1-CD1 3.6Å; L228-I232 HydrophobicContact CD1-CD1 4.32Å; L228-I232 HydrophobicContact CD1-CG1 4.31Å; L228-I232 HydrophobicContact CG-CD1 3.99Å; L228-I232 HydrophobicContact CG-CG1 4.47Å; L228-I232 VanDerWaalsContact O-CG1 3.3Å; L228-I232 WeakPolarHBondContact O-CG1 3.46Å; L228-I232 PolarHBondContact O-N 2.88Å; V229-I232 PolarHBondContact O-N 3.32Å; E230-I232 VanDerWaalsContact C-N 3.26Å; E230-I232 PolarHBondContact O-N 2.97Å; I232-C234 VanDerWaalsContact C-N 3.33Å; I232-L238 HydrophobicContact CB-CD1 4.48Å; I232-L238 HydrophobicContact CG1-CD1 3.96Å; I232-I243 HydrophobicContact CD1-CD1 4.22Å; I232-I243 HydrophobicContact CG1-CD1 4.16Å
233I97.8Very high98.1Very high0 Ų048.7 Ų48.70%026%0.264CS..Hα-helixtrans-63.6-44.2178-63.9161000110M1 F2 L5 L27 I81 V143 I145 R186 V229 E230M1-I233 WeakPolarHBondContact CE-O 3.14Å; F2-I233 HydrophobicContact CB-CG2 4.35Å; F2-I233 HydrophobicContact CD2-CG2 3.99Å; L5-I233 HydrophobicContact CD2-CB 4.11Å; L5-I233 HydrophobicContact CD2-CD1 3.77Å; L5-I233 HydrophobicContact CD2-CG2 3.57Å; L27-I233 HydrophobicContact CD2-CD1 3.87Å; I81-I233 HydrophobicContact CD1-CD1 3.86Å; I81-I233 HydrophobicContact CD1-CG1 4.4Å; I81-I233 HydrophobicContact CD1-CG2 4.16Å; I81-I233 HydrophobicContact CG1-CD1 4.2Å; I81-I233 HydrophobicContact CG1-CG1 4.32Å; I81-I233 HydrophobicContact CG1-CG2 4.33Å; I81-I233 HydrophobicContact CG2-CD1 4.04Å; I81-I233 HydrophobicContact CG2-CG1 4.41Å; V143-I233 HydrophobicContact CG1-CB 4.45Å; V143-I233 HydrophobicContact CG1-CG1 3.95Å; V143-I233 HydrophobicContact CG1-CG2 4.32Å; I145-I233 HydrophobicContact CD1-CD1 4.32Å; I145-I233 HydrophobicContact CD1-CG1 3.74Å; R186-I233 PolarHBondContact NH2-O 3.31Å; V229-I233 HydrophobicContact CG1-CD1 3.91Å; V229-I233 VanDerWaalsContact O-CG1 3.32Å; V229-I233 WeakPolarHBondContact O-CG1 3.44Å; V229-I233 PolarHBondContact O-N 3.12Å; E230-I233 PolarHBondContact O-N 3.01Å
234C96.2Very high98.1Very high51 Ų5146.4 Ų46.435%0.34525%0.251SS..Hα-helixtrans-85.3-5-173.5-60.30000114.9M1 E230 I232M1-C234 VanDerWaalsContact SD-C 3.54Å; M1-C234 VanDerWaalsContact SD-O 3.37Å; E230-C234 PolarHBondContact O-N 3.07Å; E230-C234 PolarHBondContact O-SG 3.15Å; E230-C234 VanDerWaalsContact O-SG 3.42Å; I232-C234 VanDerWaalsContact C-N 3.33Å
235N96.2Very high98.1Very high72 Ų7245.9 Ų45.939%0.38525%0.25SC..  trans-113112.2179.8-171.8-31.7000111.8M1 R186 A231 M237 L238M1-N235 VanDerWaalsContact CE-C 3.41Å; R186-N235 PolarHBondContact NH1-O 2.88Å; R186-N235 VanDerWaalsContact NH1-O 3.16Å; A231-N235 WeakPolarHBondContact O-CB 3.25Å; A231-N235 PolarHBondContact O-N 3.17Å; A231-N235 VanDerWaalsContact O-N 3.15Å; N235-M237 VanDerWaalsContact C-N 3.28Å; N235-M237 PolarHBondContact O-N 3.16Å; N235-M237 PolarHBondContact OD1-N 2.98Å; N235-M237 VanDerWaalsContact OD1-N 3.12Å; N235-L238 HydrophobicContact CB-CD1 3.97Å; N235-L238 HydrophobicContact CB-CG 4.19Å; N235-L238 PolarHBondContact O-N 3.16Å
236P94.9Very high98Very high53 Ų5346.9 Ų46.934%0.34426%0.255SS..THydrogen-bonded Turntrans-74.1-20.6-170.823.8-23.4000113.7M1 R186 L238M1-P236 HydrophobicContact CE-CB 3.46Å; M1-P236 VanDerWaalsContact CE-CB 3.46Å; M1-P236 HydrophobicContact CE-CG 4.19Å; M1-P236 HydrophobicContact CG-CB 4.07Å; M1-P236 HydrophobicContact CG-CG 4.45Å; M1-P236 HydrophobicContact SD-CB 3.45Å; M1-P236 WeakPolarHBondContact SD-CB 3.42Å; M1-P236 WeakPolarHBondContact SD-CD 3.33Å; M1-P236 HydrophobicContact SD-CG 3.55Å; M1-P236 VanDerWaalsContact SD-CG 3.55Å; R186-P236 VanDerWaalsContact CD-O 3.29Å; R186-P236 WeakPolarHBondContact CD-O 3.46Å; P236-L238 VanDerWaalsContact C-N 3.33Å
237M96.4Very high97.9Very high165 Ų16547.9 Ų47.981%0.81327%0.266SS*.THydrogen-bonded Turntrans-84.9-8.9-178.1-71.6-60.5-62.500113.2N235 N239N235-M237 VanDerWaalsContact C-N 3.28Å; N235-M237 PolarHBondContact O-N 3.16Å; N235-M237 PolarHBondContact OD1-N 2.98Å; N235-M237 VanDerWaalsContact OD1-N 3.12Å; M237-N239 PolarHBondContact O-N 3.5Å
238L98.2Very high97.8Very high42 Ų4243 Ų4322%0.2225%0.253CS..  trans-80.3100.9173.4-68.6177.8000110R186 V188 I232 N235 P236 T241 I243R186-L238 WeakPolarHBondContact CD-O 3.48Å; R186-L238 PolarHBondContact NH1-O 3.33Å; V188-L238 HydrophobicContact CG2-CB 4.21Å; V188-L238 WeakPolarHBondContact CG2-O 3.13Å; I232-L238 HydrophobicContact CB-CD1 4.48Å; I232-L238 HydrophobicContact CG1-CD1 3.96Å; N235-L238 HydrophobicContact CB-CD1 3.97Å; N235-L238 HydrophobicContact CB-CG 4.19Å; N235-L238 PolarHBondContact O-N 3.16Å; P236-L238 VanDerWaalsContact C-N 3.33Å; L238-T241 HydrophobicContact CD2-CG2 4.44Å; L238-I243 HydrophobicContact CD1-CD1 4.25Å; L238-I243 HydrophobicContact CD2-CD1 4.23Å
239N98.8Very high97.7Very high62 Ų6241.6 Ų41.633%0.33225%0.246SC..  trans-148.6148.3175.1-165.919.1000111.3A177 R186 C187 M237 T241A177-N239 VanDerWaalsContact CB-OD1 3.31Å; A177-N239 WeakPolarHBondContact CB-OD1 3.35Å; R186-N239 VanDerWaalsContact CA-OD1 3.31Å; R186-N239 WeakPolarHBondContact CA-OD1 3.48Å; R186-N239 HydrophobicContact CB-CB 4.3Å; R186-N239 HydrophobicContact CG-CB 4.12Å; C187-N239 PolarHBondContact N-OD1 2.97Å; C187-N239 PolarHBondContact O-OD1 2.91Å; M237-N239 PolarHBondContact O-N 3.5Å; N239-T241 PolarHBondContact O-N 3.37Å
240G98.8Very high97.5Very high20 Ų2048.2 Ų48.221%0.20627%0.271CS..SBendtrans62.822.8173.200000115C187C187-G240 WeakPolarHBondContact O-CA 3.09Å; C187-G240 PolarHBondContact O-N 3.47Å
241T98.8Very high97.2Very high57 Ų5747 Ų4735%0.3527%0.266SS..  trans-127.8154.1-172.2-168.60000112.6T173 V188 S189 L238 N239 I243T173-T241 WeakPolarHBondContact CG2-O 3.39Å; V188-T241 HydrophobicContact CG1-CG2 4.22Å; S189-T241 PolarHBondContact N-O 3.09Å; L238-T241 HydrophobicContact CD2-CG2 4.44Å; N239-T241 PolarHBondContact O-N 3.37Å; T241-I243 HydrophobicContact CG2-CG1 4.24Å
242V98.9Very high96.7Very high35 Ų3547.5 Ų47.521%0.21227%0.265CS..EExtended strand (participates in β ladder)trans-113.2117.8174.7-167.80000109.8Y153 A170 T173 S189 A191Y153-V242 VanDerWaalsContact OH-CB 3.3Å; Y153-V242 WeakPolarHBondContact OH-CB 3.37Å; Y153-V242 WeakPolarHBondContact OH-CG1 3.44Å; A170-V242 HydrophobicContact CB-CG2 4.27Å; T173-V242 HydrophobicContact CG2-CG2 4.39Å; S189-V242 CarbonylContact O-C 3.55Å; S189-V242 VanDerWaalsContact O-CA 3.27Å; S189-V242 WeakPolarHBondContact O-CA 3.49Å; A191-V242 HydrophobicContact CB-CG1 3.88Å
243I98.9Very high96Very high41 Ų4153.9 Ų53.921%0.2131%0.306CS..EExtended strand (participates in β ladder)trans-99.3117.7-176.6-54.7175.9000109.2V188 S189 I190 A191 L228 I232 L238 T241V188-I243 HydrophobicContact CG1-CD1 4.16Å; V188-I243 HydrophobicContact CG1-CG1 4.43Å; S189-I243 PolarHBondContact O-N 3.49Å; I190-I243 CarbonylContact C-O 3.44Å; I190-I243 WeakPolarHBondContact CA-O 3.41Å; A191-I243 PolarHBondContact N-O 3.23Å; L228-I243 HydrophobicContact CD1-CD1 4.37Å; L228-I243 HydrophobicContact CD2-CB 4.39Å; L228-I243 HydrophobicContact CD2-CG2 3.95Å; I232-I243 HydrophobicContact CD1-CD1 4.22Å; I232-I243 HydrophobicContact CG1-CD1 4.16Å; L238-I243 HydrophobicContact CD1-CD1 4.25Å; L238-I243 HydrophobicContact CD2-CD1 4.23Å; T241-I243 HydrophobicContact CG2-CG1 4.24Å
244R98.8Very high95.9Very high61 Ų6156.6 Ų56.623%0.2332%0.322CS..EExtended strand (participates in β ladder)trans-70.3131.1169.2-65.1-17869.3105.7-1.4109.7Y153 E154 A191 D246 V249Y153-R244 VanDerWaalsContact CD2-NH1 3.3Å; Y153-R244 HydrophobicContact CE2-CG 4.42Å; E154-R244 IonicContact OE1-CZ 2.99Å; E154-R244 IonicContact OE1-NH1 3.89Å; E154-R244 PolarHBondContact OE1-NH1 3.47Å; E154-R244 IonicContact OE1-NH2 3.73Å; E154-R244 IonicContact OE2-CZ 2.81Å; E154-R244 VanDerWaalsContact OE2-CZ 3.27Å; E154-R244 IonicContact OE2-NH1 2.83Å; E154-R244 PolarHBondContact OE2-NH1 3.03Å; E154-R244 IonicContact OE2-NH2 3.27Å; E154-R244 PolarHBondContact OE2-NH2 3.18Å; A191-R244 HydrophobicContact CB-CG 4.46Å; A191-R244 WeakPolarHBondContact O-CA 3.5Å; R244-D246 IonicContact CZ-OD2 2.69Å; R244-D246 IonicContact NE-OD2 2.73Å; R244-D246 PolarHBondContact NE-OD2 2.91Å; R244-D246 IonicContact NH2-OD2 3.16Å; R244-D246 PolarHBondContact NH2-OD2 3.17Å; R244-V249 PolarHBondContact NH2-O 3.34Å
245L98.7Very high95.9Very high44 Ų4456.9 Ų56.923%0.2332%0.321CS..EExtended strand (participates in β ladder)trans-127.788.3174-178.367.5000107.8I190 A191 P192 G193 F195 F225 L228I190-L245 HydrophobicContact CG2-CB 3.97Å; I190-L245 HydrophobicContact CG2-CD2 4.44Å; A191-L245 PolarHBondContact O-N 2.67Å; P192-L245 WeakPolarHBondContact CA-O 3.47Å; G193-L245 PolarHBondContact N-O 2.77Å; F195-L245 HydrophobicContact CE1-CD2 4.32Å; F195-L245 HydrophobicContact CE2-CD2 4.35Å; F195-L245 HydrophobicContact CE2-CG 4.31Å; F195-L245 WeakPolarHBondContact CE2-O 3.49Å; F195-L245 HydrophobicContact CZ-CD2 3.56Å; F195-L245 HydrophobicContact CZ-CG 3.79Å; F225-L245 HydrophobicContact CB-CD2 4.22Å; F225-L245 HydrophobicContact CD2-CD2 4.34Å; L228-L245 HydrophobicContact CB-CD2 4.2Å; L228-L245 HydrophobicContact CD2-CB 3.96Å; L228-L245 HydrophobicContact CD2-CD1 4.24Å; L228-L245 HydrophobicContact CD2-CD2 3.93Å; L228-L245 HydrophobicContact CD2-CG 4.26Å
246D97.8Very high95.9Very high21 Ų2156.1 Ų56.111%0.11232%0.317CS..SBendtrans-151.45.9-156.276-9.4000115.7V150 R244 G248 V249 R250V150-D246 HydrophobicContact CG1-CB 3.75Å; R244-D246 IonicContact CZ-OD2 2.69Å; R244-D246 IonicContact NE-OD2 2.73Å; R244-D246 PolarHBondContact NE-OD2 2.91Å; R244-D246 IonicContact NH2-OD2 3.16Å; R244-D246 PolarHBondContact NH2-OD2 3.17Å; D246-G248 PolarHBondContact O-N 3.36Å; D246-G248 VanDerWaalsContact O-N 3.13Å; D246-G248 PolarHBondContact OD1-N 3.29Å; D246-V249 HydrophobicContact CB-CG1 3.72Å; D246-V249 WeakPolarHBondContact O-CB 3.03Å; D246-V249 VanDerWaalsContact O-CG1 3.27Å; D246-V249 WeakPolarHBondContact O-CG1 3.44Å; D246-V249 PolarHBondContact O-N 3.39Å; D246-V249 VanDerWaalsContact O-N 3.13Å; D246-R250 IonicContact OD2-NH1 2.81Å; D246-R250 PolarHBondContact OD2-NH1 3.03Å
247G97.2Very high96Very high25 Ų2556.2 Ų56.226%0.25832%0.315SS..THydrogen-bonded Turntrans59.922.8-178.900000113.9L214 N215L214-G247 PolarHBondContact N-O 2.73Å; N215-G247 PolarHBondContact N-O 2.79Å; N215-G247 WeakPolarHBondContact O-CA 3.33Å
248G96.7Very high95.9Very high30 Ų3049.4 Ų49.431%0.30928%0.284SS..THydrogen-bonded Turntrans81.88-178.700000114.9L214 D246L214-G248 WeakPolarHBondContact CD1-O 3.45Å; D246-G248 PolarHBondContact O-N 3.36Å; D246-G248 VanDerWaalsContact O-N 3.13Å; D246-G248 PolarHBondContact OD1-N 3.29Å
249V95.7Very high95.8Very high1 Ų149.9 Ų49.91%0.00629%0.289CS..  trans-63.1143.5-179.573.70000112.2F194 L212 R244 D246F194-V249 HydrophobicContact CD2-CG2 4.34Å; F194-V249 HydrophobicContact CE2-CG2 3.86Å; L212-V249 HydrophobicContact CB-CG2 3.65Å; R244-V249 PolarHBondContact NH2-O 3.34Å; D246-V249 HydrophobicContact CB-CG1 3.72Å; D246-V249 WeakPolarHBondContact O-CB 3.03Å; D246-V249 VanDerWaalsContact O-CG1 3.27Å; D246-V249 WeakPolarHBondContact O-CG1 3.44Å; D246-V249 PolarHBondContact O-N 3.39Å; D246-V249 VanDerWaalsContact O-N 3.13Å
250R95Very high95.6Very high140 Ų14049.1 Ų49.153%0.52829%0.286SS..  trans-126.5124.3162.3-66.4-63.9179.6-83.4-0.3107.4D246 P252D246-R250 IonicContact OD2-NH1 2.81Å; D246-R250 PolarHBondContact OD2-NH1 3.03Å; R250-P252 WeakPolarHBondContact O-CD 3.47Å
251M90.6Very high95.3Very high20 Ų2051.3 Ų51.310%0.09929%0.292CS..  trans-77.7123.7-169.4-62.3-166-56.400110.2V150 A151 E154 Q156 F194V150-M251 HydrophobicContact CG2-CE 3.79Å; V150-M251 HydrophobicContact CG2-CG 4.04Å; V150-M251 HydrophobicContact CG2-SD 3.61Å; A151-M251 HydrophobicContact CB-CE 3.77Å; E154-M251 HydrophobicContact CB-CB 4.17Å; E154-M251 WeakPolarHBondContact O-CB 3.16Å; E154-M251 WeakPolarHBondContact O-CE 3.35Å; Q156-M251 HydrophobicContact CG-CB 3.83Å; Q156-M251 HydrophobicContact CG-CE 4.19Å; Q156-M251 HydrophobicContact CG-SD 4.21Å; F194-M251 HydrophobicContact CE1-SD 3.95Å; F194-M251 HydrophobicContact CZ-CG 4.01Å; F194-M251 HydrophobicContact CZ-SD 3.8Å
252P88.1Confident95Very high57 Ų5750.8 Ų50.837%0.3729%0.287SS..  trans-72.2162.8172.232.8-34.7000110.1Q156 L212 R250Q156-P252 WeakPolarHBondContact CG-O 3.41Å; Q156-P252 PolarHBondContact NE2-O 3.35Å; L212-P252 HydrophobicContact CD1-CG 4.08Å; R250-P252 WeakPolarHBondContact O-CD 3.47Å
253P84.2Confident94.7Very high135 Ų13552.3 Ų52.388%0.87729%0.294SS*.  trans-49.30174.2-26.234.8000113.8V157V157-P253 WeakPolarHBondContact CB-OXT 3.34Å; V157-P253 HydrophobicContact CG2-CB 4.43Å; V157-P253 VanDerWaalsContact CG2-OXT 3.25Å; V157-P253 WeakPolarHBondContact CG2-OXT 3.46Å; V157-P253 PolarHBondContact N-OXT 2.94Å

Retrieved 253 of 253 residues in 85.3 ms (Link to these results)

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