A0A5K4FCG2_SCHMA Loading...

Robl_LC7 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FCG2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 124 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
1M49.4Very low68.4Low209 Ų20992.6 Ų92.6100%1.0347%0.473SS*.  0114.40-70.8-175.6152.100109.8R3M1-R3 PolarHBondContact O-N 3.25Å
2L52.7Low69.5Low62 Ų6299.6 Ų99.633%0.32549%0.489SS..  trans-65.5117168.4-140.392.7000107.3A6 L7 P117 I121L2-A6 HydrophobicContact CG-CB 4.5Å; L2-L7 HydrophobicContact CD2-CB 3.75Å; L2-L7 HydrophobicContact CD2-CD1 3.84Å; L2-L7 HydrophobicContact CD2-CG 4.37Å; L2-P117 HydrophobicContact CD1-CB 3.54Å; L2-P117 HydrophobicContact CD1-CG 3.88Å; L2-P117 HydrophobicContact CG-CB 4.41Å; L2-I121 HydrophobicContact CB-CD1 4.1Å
3R61.2Low70.4Confident200 Ų200104.1 Ų104.176%0.75550%0.504SS*.  trans-60.8137.3178.4-69-176.9179.3177.6-0.1108.4M1 R5 A6 L7M1-R3 PolarHBondContact O-N 3.25Å; R3-R5 PolarHBondContact O-N 2.83Å; R3-A6 HydrophobicContact CB-CB 4.28Å; R3-A6 WeakPolarHBondContact O-CA 3.44Å; R3-A6 WeakPolarHBondContact O-CB 3.43Å; R3-A6 PolarHBondContact O-N 3.39Å; R3-L7 PolarHBondContact O-N 2.77Å; R3-L7 VanDerWaalsContact O-N 3.08Å
4P64.7Low71.1Confident105 Ų10598.7 Ų98.768%0.68248%0.479SS*.Hα-helixtrans-50-34.6178.6-30.334.9000113.9T8P4-T8 PolarHBondContact O-N 3.14Å; P4-T8 PolarHBondContact O-OG1 3.29Å
5R66.8Low71.9Confident224 Ų22494.1 Ų94.185%0.84546%0.457SS*.Hα-helixtrans-66.2-40.1173.7-69.2-173.5177.1179.4-0.4113.5R3 S9R3-R5 PolarHBondContact O-N 2.83Å; R5-S9 VanDerWaalsContact O-CB 3.25Å; R5-S9 WeakPolarHBondContact O-CB 3.28Å; R5-S9 PolarHBondContact O-N 3.49Å
6A71.4Confident72.9Confident50 Ų5093.2 Ų93.241%0.41346%0.459SS..Hα-helixtrans-67.4-41.4177.600000110.9L2 R3 S9 A10L2-A6 HydrophobicContact CG-CB 4.5Å; R3-A6 HydrophobicContact CB-CB 4.28Å; R3-A6 WeakPolarHBondContact O-CA 3.44Å; R3-A6 WeakPolarHBondContact O-CB 3.43Å; R3-A6 PolarHBondContact O-N 3.39Å; A6-S9 PolarHBondContact O-N 2.92Å; A6-A10 WeakPolarHBondContact O-CB 3.41Å; A6-A10 PolarHBondContact O-N 3.12Å
7L76.4Confident73.9Confident22 Ų2291.2 Ų91.212%0.11547%0.468CS..Hα-helixtrans-58.7-56174.4-174.155.4000110.5L2 R3 S9 A10 L11 L24 A33 L114L2-L7 HydrophobicContact CD2-CB 3.75Å; L2-L7 HydrophobicContact CD2-CD1 3.84Å; L2-L7 HydrophobicContact CD2-CG 4.37Å; R3-L7 PolarHBondContact O-N 2.77Å; R3-L7 VanDerWaalsContact O-N 3.08Å; L7-S9 VanDerWaalsContact C-N 3.25Å; L7-S9 PolarHBondContact O-N 3.09Å; L7-A10 WeakPolarHBondContact O-CA 3.07Å; L7-A10 WeakPolarHBondContact O-CB 3.17Å; L7-A10 PolarHBondContact O-N 2.92Å; L7-L11 HydrophobicContact CD1-CD2 4.4Å; L7-L11 HydrophobicContact CD1-CG 4.37Å; L7-L11 HydrophobicContact CG-CD1 4.31Å; L7-L11 HydrophobicContact CG-CG 4.43Å; L7-L11 WeakPolarHBondContact O-CG 3.45Å; L7-L11 PolarHBondContact O-N 3.12Å; L7-L24 HydrophobicContact CD1-CD1 3.85Å; L7-L24 HydrophobicContact CD2-CD1 3.77Å; L7-L24 HydrophobicContact CG-CD1 4.09Å; L7-A33 HydrophobicContact CD2-CB 3.98Å; L7-L114 HydrophobicContact CD1-CD2 3.68Å
8T73.5Confident75Confident42 Ų4287.8 Ų87.826%0.25846%0.46SS..Hα-helixtrans-57.8-39.8-179.6-53.40000111.7P4 L11 R12P4-T8 PolarHBondContact O-N 3.14Å; P4-T8 PolarHBondContact O-OG1 3.29Å; T8-L11 PolarHBondContact O-N 3.34Å; T8-R12 WeakPolarHBondContact O-CG 3.16Å; T8-R12 PolarHBondContact O-N 3.46Å
9S76.3Confident76Confident65 Ų6583.3 Ų83.346%0.45544%0.436SS..Hα-helixtrans-63.6-42.2175.6-172.70000112.4R5 A6 L7 R12 K13R5-S9 VanDerWaalsContact O-CB 3.25Å; R5-S9 WeakPolarHBondContact O-CB 3.28Å; R5-S9 PolarHBondContact O-N 3.49Å; A6-S9 PolarHBondContact O-N 2.92Å; L7-S9 VanDerWaalsContact C-N 3.25Å; L7-S9 PolarHBondContact O-N 3.09Å; S9-R12 PolarHBondContact O-N 2.95Å; S9-K13 PolarHBondContact O-N 3.28Å
10A77.3Confident76.9Confident40 Ų4082.1 Ų82.133%0.33143%0.428SS..Hα-helixtrans-63.2-44.8174.600000111.6A6 L7 R12 K13A6-A10 WeakPolarHBondContact O-CB 3.41Å; A6-A10 PolarHBondContact O-N 3.12Å; L7-A10 WeakPolarHBondContact O-CA 3.07Å; L7-A10 WeakPolarHBondContact O-CB 3.17Å; L7-A10 PolarHBondContact O-N 2.92Å; A10-R12 VanDerWaalsContact C-N 3.33Å; A10-R12 PolarHBondContact O-N 3.32Å; A10-K13 PolarHBondContact O-N 3.42Å
11L82.8Confident77.7Confident0 Ų078.2 Ų78.20%041%0.408CS..Hα-helixtrans-62.5-38.5176.7-59.2-178.4000111.8L7 T8 K13 M14 V22 L24 A33 T35 L110 L114L7-L11 HydrophobicContact CD1-CD2 4.4Å; L7-L11 HydrophobicContact CD1-CG 4.37Å; L7-L11 HydrophobicContact CG-CD1 4.31Å; L7-L11 HydrophobicContact CG-CG 4.43Å; L7-L11 WeakPolarHBondContact O-CG 3.45Å; L7-L11 PolarHBondContact O-N 3.12Å; T8-L11 PolarHBondContact O-N 3.34Å; L11-K13 VanDerWaalsContact C-N 3.27Å; L11-K13 PolarHBondContact O-N 3.17Å; L11-M14 VanDerWaalsContact O-CB 3.29Å; L11-M14 WeakPolarHBondContact O-CB 3.43Å; L11-M14 PolarHBondContact O-N 3.29Å; L11-V22 HydrophobicContact CB-CB 4.47Å; L11-V22 HydrophobicContact CB-CG1 4.28Å; L11-V22 HydrophobicContact CD1-CG1 4.46Å; L11-V22 HydrophobicContact CD2-CG1 3.74Å; L11-V22 HydrophobicContact CG-CG1 4.34Å; L11-L24 HydrophobicContact CD1-CD1 4.06Å; L11-L24 HydrophobicContact CD2-CD1 4.22Å; L11-A33 HydrophobicContact CD1-CB 4.12Å; L11-T35 HydrophobicContact CB-CG2 3.62Å; L11-L110 HydrophobicContact CD2-CD1 4.27Å; L11-L110 HydrophobicContact CD2-CD2 4.26Å; L11-L114 HydrophobicContact CD2-CD1 3.95Å
12R81Confident79.8Confident176 Ų17668.2 Ų68.266%0.66436%0.359SS*.Hα-helixtrans-61.8-33.8-179.1-81.9-178.8179.4-169.6-1.6113T8 S9 A10 M14 N15 T35T8-R12 WeakPolarHBondContact O-CG 3.16Å; T8-R12 PolarHBondContact O-N 3.46Å; S9-R12 PolarHBondContact O-N 2.95Å; A10-R12 VanDerWaalsContact C-N 3.33Å; A10-R12 PolarHBondContact O-N 3.32Å; R12-M14 PolarHBondContact O-N 3.21Å; R12-M14 VanDerWaalsContact O-N 3.12Å; R12-N15 PolarHBondContact O-N 3.37Å; R12-T35 HydrophobicContact CB-CG2 4.32Å; R12-T35 HydrophobicContact CG-CG2 3.56Å
13K81.4Confident81.8Confident158 Ų15865.3 Ų65.369%0.68734%0.343SS*.THydrogen-bonded Turntrans-62-18.7176.1-66.1178.3-179.4-177.90112.5S9 A10 L11S9-K13 PolarHBondContact O-N 3.28Å; A10-K13 PolarHBondContact O-N 3.42Å; L11-K13 VanDerWaalsContact C-N 3.27Å; L11-K13 PolarHBondContact O-N 3.17Å
14M80.3Confident83.3Confident29 Ų2956 Ų5614%0.14331%0.308CS..THydrogen-bonded Turntrans-87.1-14.4-179.9-58.8-58-62.100114.2L11 R12 T16 I19 V22 K106 L110L11-M14 VanDerWaalsContact O-CB 3.29Å; L11-M14 WeakPolarHBondContact O-CB 3.43Å; L11-M14 PolarHBondContact O-N 3.29Å; R12-M14 PolarHBondContact O-N 3.21Å; R12-M14 VanDerWaalsContact O-N 3.12Å; M14-T16 PolarHBondContact O-N 3.39Å; M14-I19 WeakPolarHBondContact O-CB 3.46Å; M14-V22 HydrophobicContact CB-CG2 3.95Å; M14-K106 HydrophobicContact CE-CB 3.98Å; M14-K106 HydrophobicContact CE-CG 4.35Å; M14-K106 WeakPolarHBondContact CE-O 3.47Å; M14-L110 HydrophobicContact CE-CB 4.25Å; M14-L110 HydrophobicContact CG-CD1 3.85Å; M14-L110 HydrophobicContact CG-CD2 4.17Å; M14-L110 HydrophobicContact CG-CG 4.48Å; M14-L110 HydrophobicContact SD-CD1 4.44Å
15N83Confident84.8Confident29 Ų2951 Ų5116%0.15528%0.276CS..SBendtrans-73.944.3177.5-76.216.3000112.7R12 V22 T35 L37R12-N15 PolarHBondContact O-N 3.37Å; N15-V22 WeakPolarHBondContact OD1-CG2 3.27Å; N15-T35 WeakPolarHBondContact ND2-CB 3.48Å; N15-T35 PolarHBondContact ND2-OG1 2.97Å; N15-T35 PolarHBondContact OD1-OG1 3.43Å; N15-L37 HydrophobicContact CB-CD2 4.33Å; N15-L37 HydrophobicContact CB-CG 4.5Å
16T88.3Confident86.1Confident80 Ų8042 Ų4249%0.49124%0.244SC..  trans-118.1166.3178.559.90000109.4M14 G18 I19 K106M14-T16 PolarHBondContact O-N 3.39Å; T16-G18 VanDerWaalsContact C-N 3.27Å; T16-G18 PolarHBondContact O-N 3.15Å; T16-I19 WeakPolarHBondContact O-CG1 3.44Å; T16-I19 PolarHBondContact O-N 2.68Å; T16-K106 PolarHBondContact O-NZ 3.17Å; T16-K106 PolarHBondContact OG1-NZ 2.85Å
17G90.5Very high87.3Confident59 Ų5941.4 Ų41.461%0.60824%0.237SC*.THydrogen-bonded Turntrans5539.9171.600000114.2V98G17-V98 WeakPolarHBondContact O-CG2 3.45Å
18G93.6Very high88.2Confident31 Ų3147.3 Ų47.332%0.3226%0.264SS..THydrogen-bonded Turntrans84.33.8176.800000116.2T16 Q20 A94 S95T16-G18 VanDerWaalsContact C-N 3.27Å; T16-G18 PolarHBondContact O-N 3.15Å; G18-Q20 PolarHBondContact O-N 3.26Å; G18-A94 CarbonylContact O-C 3.57Å; G18-A94 WeakPolarHBondContact O-CA 3.33Å; G18-S95 PolarHBondContact O-N 3.06Å
19I94.5Very high89.3Confident1 Ų145.7 Ų45.71%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-72.3117.4168.7-57-54.2000109.2M14 T16 V22 L37 L92 H93 A94 L103 K106M14-I19 WeakPolarHBondContact O-CB 3.46Å; T16-I19 WeakPolarHBondContact O-CG1 3.44Å; T16-I19 PolarHBondContact O-N 2.68Å; I19-V22 HydrophobicContact CG2-CG2 3.99Å; I19-L37 WeakPolarHBondContact O-CD1 3.28Å; I19-L92 HydrophobicContact CG2-CD2 4.4Å; I19-H93 CarbonylContact C-O 3.6Å; I19-A94 HydrophobicContact CD1-CB 3.76Å; I19-L103 HydrophobicContact CD1-CD1 3.7Å; I19-K106 HydrophobicContact CD1-CD 4.05Å; I19-K106 HydrophobicContact CG1-CD 3.7Å
20Q93.1Very high90.2Very high60 Ų6046.6 Ų46.628%0.2826%0.258SS..EExtended strand (participates in β ladder)trans-90.2-39.1-177.7-66.4-175.7-23.100112.6G18 S36 L37 H93G18-Q20 PolarHBondContact O-N 3.26Å; Q20-S36 WeakPolarHBondContact O-CA 3.49Å; Q20-L37 PolarHBondContact O-N 3.04Å; Q20-H93 PolarHBondContact N-O 3.3Å; Q20-H93 PolarHBondContact OE1-CE1 3.45Å; Q20-H93 PolarHBondContact OE1-ND1 2.87Å; Q20-H93 PolarHBondContact OE1-NE2 2.78Å
21S93.3Very high90.9Very high0 Ų046.1 Ų46.10%025%0.25CS..EExtended strand (participates in β ladder)trans-146.1151.9173.267.90000113T35 E42 H93S21-T35 CarbonylContact C-O 3.46Å; S21-T35 WeakPolarHBondContact CA-O 3.49Å; S21-T35 WeakPolarHBondContact CB-O 3.49Å; S21-E42 VanDerWaalsContact CB-OE2 3.27Å; S21-E42 WeakPolarHBondContact CB-OE2 3.34Å; S21-E42 PolarHBondContact OG-OE2 2.79Å; S21-H93 PolarHBondContact N-O 3.47Å; S21-H93 VanDerWaalsContact N-O 3.15Å; S21-H93 PolarHBondContact O-N 2.85Å; S21-H93 VanDerWaalsContact OG-CB 3.22Å; S21-H93 WeakPolarHBondContact OG-CB 3.47Å
22V94.5Very high91.3Very high0 Ų050.9 Ų50.90%028%0.275CS..EExtended strand (participates in β ladder)trans-123.8127.3171.4-176.30000106L11 M14 N15 I19 Y34 T35 L90 C91 L92 L110L11-V22 HydrophobicContact CB-CB 4.47Å; L11-V22 HydrophobicContact CB-CG1 4.28Å; L11-V22 HydrophobicContact CD1-CG1 4.46Å; L11-V22 HydrophobicContact CD2-CG1 3.74Å; L11-V22 HydrophobicContact CG-CG1 4.34Å; M14-V22 HydrophobicContact CB-CG2 3.95Å; N15-V22 WeakPolarHBondContact OD1-CG2 3.27Å; I19-V22 HydrophobicContact CG2-CG2 3.99Å; V22-Y34 CarbonylContact O-C 3.52Å; V22-Y34 WeakPolarHBondContact O-CA 3.29Å; V22-Y34 WeakPolarHBondContact O-CB 3.45Å; V22-T35 WeakPolarHBondContact CB-OG1 3.42Å; V22-T35 WeakPolarHBondContact CG2-OG1 3.27Å; V22-T35 PolarHBondContact N-O 3.23Å; V22-T35 PolarHBondContact N-OG1 2.87Å; V22-T35 PolarHBondContact O-N 3.35Å; V22-L90 HydrophobicContact CG1-CD1 3.97Å; V22-C91 WeakPolarHBondContact CA-O 3.47Å; V22-L92 HydrophobicContact CB-CD2 4Å; V22-L92 HydrophobicContact CG1-CD2 3.71Å; V22-L92 HydrophobicContact CG2-CD2 3.6Å; V22-L110 HydrophobicContact CG1-CD2 3.71Å
23M93.8Very high91.7Very high0 Ų043.1 Ų43.10%025%0.248CC..EExtended strand (participates in β ladder)trans-129.6134.6-176.7-64.2174.5-81.800110.4F25 L31 E42 K45 A46 L90 C91M23-F25 HydrophobicContact CB-CD1 3.92Å; M23-F25 HydrophobicContact CB-CE1 3.95Å; M23-L31 HydrophobicContact CB-CD1 3.91Å; M23-L31 HydrophobicContact CG-CD1 4.1Å; M23-E42 HydrophobicContact CG-CB 4.29Å; M23-E42 HydrophobicContact SD-CB 4.01Å; M23-K45 HydrophobicContact CE-CB 4.12Å; M23-K45 HydrophobicContact SD-CB 3.93Å; M23-A46 HydrophobicContact SD-CB 4.38Å; M23-L90 WeakPolarHBondContact O-CA 3.22Å; M23-C91 HydrophobicContact CB-CB 4.35Å; M23-C91 HydrophobicContact CE-CB 4.1Å; M23-C91 PolarHBondContact N-O 3.28Å; M23-C91 PolarHBondContact O-N 2.99Å
24L93.9Very high92.2Very high4 Ų441 Ų412%0.02124%0.237CC..EExtended strand (participates in β ladder)trans-112.9128.1166.4-74.5170.1000108.4L7 L11 L32 A33 V88 L89 L90 L114 L118L7-L24 HydrophobicContact CD1-CD1 3.85Å; L7-L24 HydrophobicContact CD2-CD1 3.77Å; L7-L24 HydrophobicContact CG-CD1 4.09Å; L11-L24 HydrophobicContact CD1-CD1 4.06Å; L11-L24 HydrophobicContact CD2-CD1 4.22Å; L24-L32 WeakPolarHBondContact O-CB 3.32Å; L24-L32 PolarHBondContact O-N 3.19Å; L24-A33 HydrophobicContact CB-CB 4.37Å; L24-A33 HydrophobicContact CD1-CB 4.44Å; L24-A33 PolarHBondContact N-O 3.41Å; L24-A33 PolarHBondContact O-N 3.42Å; L24-V88 HydrophobicContact CD2-CG2 4.11Å; L24-L89 WeakPolarHBondContact CA-O 3.5Å; L24-L90 HydrophobicContact CD2-CB 3.92Å; L24-L90 HydrophobicContact CD2-CD1 3.63Å; L24-L90 HydrophobicContact CD2-CG 4.32Å; L24-L90 HydrophobicContact CG-CD1 4.08Å; L24-L114 HydrophobicContact CD1-CD1 4.39Å; L24-L114 HydrophobicContact CD2-CD1 4.49Å; L24-L118 HydrophobicContact CD2-CD1 4.15Å
25F94.5Very high92.7Very high0 Ų040 Ų400%023%0.232CC..EExtended strand (participates in β ladder)trans-147157179.746-86.4000110.9M23 V30 L31 A46 A49 A50 I82 V88 L89 C91M23-F25 HydrophobicContact CB-CD1 3.92Å; M23-F25 HydrophobicContact CB-CE1 3.95Å; F25-V30 WeakPolarHBondContact CA-O 3.5Å; F25-V30 WeakPolarHBondContact CB-O 3.35Å; F25-L31 HydrophobicContact CD1-CD1 4.49Å; F25-A46 HydrophobicContact CB-CB 3.97Å; F25-A46 HydrophobicContact CD1-CB 3.59Å; F25-A46 HydrophobicContact CD2-CB 4.41Å; F25-A46 HydrophobicContact CE1-CB 4.14Å; F25-A46 HydrophobicContact CG-CB 3.75Å; F25-A49 HydrophobicContact CE1-CB 4.46Å; F25-A49 HydrophobicContact CE2-CB 4.13Å; F25-A49 HydrophobicContact CZ-CB 3.64Å; F25-A50 HydrophobicContact CD2-CB 3.89Å; F25-A50 HydrophobicContact CE2-CB 3.87Å; F25-I82 HydrophobicContact CZ-CG2 4.46Å; F25-V88 WeakPolarHBondContact O-CB 3.1Å; F25-L89 HydrophobicContact CD2-CB 3.7Å; F25-L89 HydrophobicContact CD2-CD1 4.04Å; F25-L89 HydrophobicContact CD2-CG 4.41Å; F25-L89 HydrophobicContact CE2-CB 3.41Å; F25-L89 VanDerWaalsContact CE2-CB 3.41Å; F25-L89 HydrophobicContact CE2-CD1 3.6Å; F25-L89 HydrophobicContact CE2-CG 4.14Å; F25-L89 HydrophobicContact CG-CB 4.43Å; F25-L89 HydrophobicContact CZ-CB 3.93Å; F25-L89 PolarHBondContact N-O 3.19Å; F25-L89 PolarHBondContact O-N 3.15Å; F25-C91 HydrophobicContact CE1-CB 3.49Å; F25-C91 VanDerWaalsContact CE1-CB 3.49Å; F25-C91 HydrophobicContact CZ-CB 3.8Å
26N95.1Very high93Very high35 Ų3540.1 Ų40.119%0.18724%0.235CC..  trans-78.4167.8173.370-0.9000111.1E28 G29 V30N26-E28 WeakPolarHBondContact CB-OE2 3.3Å; N26-E28 PolarHBondContact ND2-OE2 3.06Å; N26-E28 PolarHBondContact O-N 2.77Å; N26-E28 VanDerWaalsContact O-N 3.12Å; N26-E28 PolarHBondContact OD1-N 3.36Å; N26-E28 PolarHBondContact OD1-OE2 3.3Å; N26-G29 PolarHBondContact O-N 3Å; N26-G29 PolarHBondContact OD1-N 3.43Å; N26-G29 VanDerWaalsContact OD1-N 3.09Å; N26-V30 PolarHBondContact N-O 3.32Å; N26-V30 VanDerWaalsContact N-O 3.12Å; N26-V30 WeakPolarHBondContact OD1-CA 3.38Å; N26-V30 VanDerWaalsContact OD1-CB 3.28Å; N26-V30 WeakPolarHBondContact OD1-CB 3.29Å; N26-V30 PolarHBondContact OD1-N 3.07Å
27P95.4Very high92.9Very high39 Ų3942 Ų4225%0.25324%0.241SC..THydrogen-bonded Turntrans-57.9-20.5176.2-26.737.4000114.6G29 N54P27-G29 VanDerWaalsContact C-N 3.27Å; P27-G29 PolarHBondContact O-N 3.06Å; P27-N54 PolarHBondContact O-ND2 2.95Å
28E96.5Very high92.1Very high145 Ų14542.3 Ų42.368%0.67824%0.238SC*.THydrogen-bonded Turntrans-79.2-6.9174.5-60.868.8-145.600113.2N26N26-E28 WeakPolarHBondContact CB-OE2 3.3Å; N26-E28 PolarHBondContact ND2-OE2 3.06Å; N26-E28 PolarHBondContact O-N 2.77Å; N26-E28 VanDerWaalsContact O-N 3.12Å; N26-E28 PolarHBondContact OD1-N 3.36Å; N26-E28 PolarHBondContact OD1-OE2 3.3Å
29G96.1Very high90.7Very high9 Ų943.6 Ų43.69%0.09325%0.252CS..  trans88.28.8178.800000115.1N26 P27 L31 A50N26-G29 PolarHBondContact O-N 3Å; N26-G29 PolarHBondContact OD1-N 3.43Å; N26-G29 VanDerWaalsContact OD1-N 3.09Å; P27-G29 VanDerWaalsContact C-N 3.27Å; P27-G29 PolarHBondContact O-N 3.06Å; G29-L31 PolarHBondContact O-N 3.46Å; G29-A50 VanDerWaalsContact CA-CB 3.44Å
30V95.1Very high89.4Confident83 Ų8349.4 Ų49.450%0.50328%0.283SS..  trans-73.9118.7174.3-176.70000109.4F25 N26 L32F25-V30 WeakPolarHBondContact CA-O 3.5Å; F25-V30 WeakPolarHBondContact CB-O 3.35Å; N26-V30 PolarHBondContact N-O 3.32Å; N26-V30 VanDerWaalsContact N-O 3.12Å; N26-V30 WeakPolarHBondContact OD1-CA 3.38Å; N26-V30 VanDerWaalsContact OD1-CB 3.28Å; N26-V30 WeakPolarHBondContact OD1-CB 3.29Å; N26-V30 PolarHBondContact OD1-N 3.07Å; V30-L32 PolarHBondContact O-N 3.47Å
31L93Very high89Confident31 Ų3149.8 Ų49.816%0.16229%0.292CS..EExtended strand (participates in β ladder)trans-71.4117.3178-170.970.6000111.5M23 F25 G29 Y34 E42 R43 A46M23-L31 HydrophobicContact CB-CD1 3.91Å; M23-L31 HydrophobicContact CG-CD1 4.1Å; F25-L31 HydrophobicContact CD1-CD1 4.49Å; G29-L31 PolarHBondContact O-N 3.46Å; L31-Y34 HydrophobicContact CD2-CD1 3.36Å; L31-Y34 HydrophobicContact CD2-CE1 3.87Å; L31-Y34 HydrophobicContact CD2-CG 3.89Å; L31-Y34 HydrophobicContact CG-CD1 4.11Å; L31-E42 HydrophobicContact CD2-CB 3.92Å; L31-R43 HydrophobicContact CB-CG 4.22Å; L31-R43 HydrophobicContact CD2-CG 3.87Å; L31-A46 HydrophobicContact CB-CB 4.28Å; L31-A46 HydrophobicContact CD1-CB 3.78Å
32L90.4Very high88.9Confident100 Ų10050 Ų5052%0.52429%0.294SS..EExtended strand (participates in β ladder)trans-93.5-41.9-176.9-57.9175000112L24 V30 V88L24-L32 WeakPolarHBondContact O-CB 3.32Å; L24-L32 PolarHBondContact O-N 3.19Å; V30-L32 PolarHBondContact O-N 3.47Å; L32-V88 HydrophobicContact CD1-CB 4.38Å; L32-V88 HydrophobicContact CD1-CG1 3.59Å
33A89.7Confident88.9Confident13 Ų1359.7 Ų59.711%0.10733%0.33CS..EExtended strand (participates in β ladder)trans-156.2150.1177.500000110.1L7 L11 L24L7-A33 HydrophobicContact CD2-CB 3.98Å; L11-A33 HydrophobicContact CD1-CB 4.12Å; L24-A33 HydrophobicContact CB-CB 4.37Å; L24-A33 HydrophobicContact CD1-CB 4.44Å; L24-A33 PolarHBondContact N-O 3.41Å; L24-A33 PolarHBondContact O-N 3.42Å
34Y91.5Very high88.9Confident114 Ų11463 Ų6345%0.44735%0.353SS..EExtended strand (participates in β ladder)trans-155.8163.3174.571.7-78.1000113.4V22 L31 E42V22-Y34 CarbonylContact O-C 3.52Å; V22-Y34 WeakPolarHBondContact O-CA 3.29Å; V22-Y34 WeakPolarHBondContact O-CB 3.45Å; L31-Y34 HydrophobicContact CD2-CD1 3.36Å; L31-Y34 HydrophobicContact CD2-CE1 3.87Å; L31-Y34 HydrophobicContact CD2-CG 3.89Å; L31-Y34 HydrophobicContact CG-CD1 4.11Å; Y34-E42 HydrophobicContact CD2-CB 3.93Å; Y34-E42 HydrophobicContact CD2-CG 3.57Å; Y34-E42 HydrophobicContact CE2-CB 4.26Å; Y34-E42 HydrophobicContact CE2-CG 3.87Å; Y34-E42 HydrophobicContact CG-CB 4.18Å; Y34-E42 HydrophobicContact CG-CG 4.28Å
35T91.3Very high88.9Confident7 Ų765.3 Ų65.34%0.04336%0.363CS..EExtended strand (participates in β ladder)trans-125.5140161.2600000107.5L11 R12 N15 S21 V22L11-T35 HydrophobicContact CB-CG2 3.62Å; R12-T35 HydrophobicContact CB-CG2 4.32Å; R12-T35 HydrophobicContact CG-CG2 3.56Å; N15-T35 WeakPolarHBondContact ND2-CB 3.48Å; N15-T35 PolarHBondContact ND2-OG1 2.97Å; N15-T35 PolarHBondContact OD1-OG1 3.43Å; S21-T35 CarbonylContact C-O 3.46Å; S21-T35 WeakPolarHBondContact CA-O 3.49Å; S21-T35 WeakPolarHBondContact CB-O 3.49Å; V22-T35 WeakPolarHBondContact CB-OG1 3.42Å; V22-T35 WeakPolarHBondContact CG2-OG1 3.27Å; V22-T35 PolarHBondContact N-O 3.23Å; V22-T35 PolarHBondContact N-OG1 2.87Å; V22-T35 PolarHBondContact O-N 3.35Å
36S89.6Confident89Confident31 Ų3165.3 Ų65.322%0.21736%0.363CS..EExtended strand (participates in β ladder)trans-144.5137.9175.5-1740000109.5Q20 A38 E42Q20-S36 WeakPolarHBondContact O-CA 3.49Å; S36-A38 PolarHBondContact OG-N 3.07Å; S36-E42 WeakPolarHBondContact CB-OE1 3.29Å; S36-E42 PolarHBondContact OG-OE1 3.02Å
37L85.8Confident89.1Confident119 Ų11965.9 Ų65.962%0.62337%0.373SS*.SBendtrans-85.6-21.5171.3-62.8-178.5000112N15 I19 Q20N15-L37 HydrophobicContact CB-CD2 4.33Å; N15-L37 HydrophobicContact CB-CG 4.5Å; I19-L37 WeakPolarHBondContact O-CD1 3.28Å; Q20-L37 PolarHBondContact O-N 3.04Å
38A72.6Confident89.2Confident66 Ų6669.4 Ų69.455%0.54539%0.389SS..SBendtrans-105.48.5-168.400000114.5S36 D40S36-A38 PolarHBondContact OG-N 3.07Å; A38-D40 PolarHBondContact O-N 3.44Å
39G64.8Low89.2Confident59 Ų5962.7 Ų62.761%0.60836%0.357SS*.  trans72.7-32.1171.700000116.7
40D66.6Low89.3Confident123 Ų12362.3 Ų62.366%0.65835%0.353SS*.SBendtrans-119142.7-163.1-71.7-20.5000116.5A38 E42 K45A38-D40 PolarHBondContact O-N 3.44Å; D40-E42 PolarHBondContact O-N 2.8Å; D40-K45 PolarHBondContact O-NZ 2.92Å
41S85.7Confident89.5Confident67 Ų6763 Ų6347%0.46935%0.354SS..  trans6620.6162.875.40000119.5R43 S44 K45S41-R43 PolarHBondContact O-N 2.85Å; S41-R43 VanDerWaalsContact O-N 3.12Å; S41-S44 PolarHBondContact O-N 2.86Å; S41-K45 WeakPolarHBondContact O-CG 3.25Å; S41-K45 PolarHBondContact O-N 3.17Å; S41-K45 VanDerWaalsContact OG-CE 3.32Å; S41-K45 WeakPolarHBondContact OG-CE 3.36Å
42E91.5Very high89.7Confident6 Ų663.1 Ų63.13%0.02836%0.356CS..Hα-helixtrans-59.1-28.4178.2-56.3-53.6142.400113.4S21 M23 L31 Y34 S36 D40 K45 A46S21-E42 VanDerWaalsContact CB-OE2 3.27Å; S21-E42 WeakPolarHBondContact CB-OE2 3.34Å; S21-E42 PolarHBondContact OG-OE2 2.79Å; M23-E42 HydrophobicContact CG-CB 4.29Å; M23-E42 HydrophobicContact SD-CB 4.01Å; L31-E42 HydrophobicContact CD2-CB 3.92Å; Y34-E42 HydrophobicContact CD2-CB 3.93Å; Y34-E42 HydrophobicContact CD2-CG 3.57Å; Y34-E42 HydrophobicContact CE2-CB 4.26Å; Y34-E42 HydrophobicContact CE2-CG 3.87Å; Y34-E42 HydrophobicContact CG-CB 4.18Å; Y34-E42 HydrophobicContact CG-CG 4.28Å; S36-E42 WeakPolarHBondContact CB-OE1 3.29Å; S36-E42 PolarHBondContact OG-OE1 3.02Å; D40-E42 PolarHBondContact O-N 2.8Å; E42-K45 IonicContact OE1-NZ 2.8Å; E42-K45 PolarHBondContact OE1-NZ 3.21Å; E42-K45 IonicContact OE2-NZ 2.98Å; E42-A46 VanDerWaalsContact O-CB 3.29Å; E42-A46 WeakPolarHBondContact O-CB 3.5Å; E42-A46 PolarHBondContact O-N 3.01Å
43R93.6Very high90Very high202 Ų20258.8 Ų58.876%0.76233%0.333SS*.Hα-helixtrans-62.6-46.8173.2-70.5-175.1-172.7-133.92.1112.1L31 S41 A46 A47L31-R43 HydrophobicContact CB-CG 4.22Å; L31-R43 HydrophobicContact CD2-CG 3.87Å; S41-R43 PolarHBondContact O-N 2.85Å; S41-R43 VanDerWaalsContact O-N 3.12Å; R43-A46 PolarHBondContact O-N 2.93Å; R43-A47 PolarHBondContact O-N 3.23Å
44S94.7Very high90.4Very high70 Ų7060.1 Ų60.149%0.4934%0.338SS..Hα-helixtrans-67.8-41.2178.8-52.40000111.2S41 A46 A47 I48S41-S44 PolarHBondContact O-N 2.86Å; S44-A46 VanDerWaalsContact C-N 3.35Å; S44-A46 PolarHBondContact O-N 3.09Å; S44-A47 PolarHBondContact O-N 3.22Å; S44-I48 VanDerWaalsContact O-CG1 3.29Å; S44-I48 WeakPolarHBondContact O-CG1 3.42Å; S44-I48 PolarHBondContact O-N 2.87Å
45K94.4Very high90.6Very high52 Ų5258.9 Ų58.923%0.22634%0.338CS..Hα-helixtrans-59.9-44.6175.5-65.9175.1-164.4163.80111.5M23 D40 S41 E42 I48 A49M23-K45 HydrophobicContact CE-CB 4.12Å; M23-K45 HydrophobicContact SD-CB 3.93Å; D40-K45 PolarHBondContact O-NZ 2.92Å; S41-K45 WeakPolarHBondContact O-CG 3.25Å; S41-K45 PolarHBondContact O-N 3.17Å; S41-K45 VanDerWaalsContact OG-CE 3.32Å; S41-K45 WeakPolarHBondContact OG-CE 3.36Å; E42-K45 IonicContact OE1-NZ 2.8Å; E42-K45 PolarHBondContact OE1-NZ 3.21Å; E42-K45 IonicContact OE2-NZ 2.98Å; K45-I48 PolarHBondContact O-N 3.04Å; K45-A49 WeakPolarHBondContact O-CB 3.41Å; K45-A49 PolarHBondContact O-N 2.78Å
46A95.8Very high90.8Very high0 Ų064.2 Ų64.20%036%0.359CS..Hα-helixtrans-61.6-45.3176.500000112.4M23 F25 L31 E42 R43 S44 I48 A49 A50M23-A46 HydrophobicContact SD-CB 4.38Å; F25-A46 HydrophobicContact CB-CB 3.97Å; F25-A46 HydrophobicContact CD1-CB 3.59Å; F25-A46 HydrophobicContact CD2-CB 4.41Å; F25-A46 HydrophobicContact CE1-CB 4.14Å; F25-A46 HydrophobicContact CG-CB 3.75Å; L31-A46 HydrophobicContact CB-CB 4.28Å; L31-A46 HydrophobicContact CD1-CB 3.78Å; E42-A46 VanDerWaalsContact O-CB 3.29Å; E42-A46 WeakPolarHBondContact O-CB 3.5Å; E42-A46 PolarHBondContact O-N 3.01Å; R43-A46 PolarHBondContact O-N 2.93Å; S44-A46 VanDerWaalsContact C-N 3.35Å; S44-A46 PolarHBondContact O-N 3.09Å; A46-I48 PolarHBondContact O-N 3.08Å; A46-A49 PolarHBondContact O-N 2.94Å; A46-A50 WeakPolarHBondContact O-CB 3.34Å; A46-A50 PolarHBondContact O-N 3.05Å
47A97.1Very high91Very high48 Ų4863.7 Ų63.740%0.39735%0.353SS..Hα-helixtrans-60.9-44.2177.500000112.4R43 S44 N51R43-A47 PolarHBondContact O-N 3.23Å; S44-A47 PolarHBondContact O-N 3.22Å; A47-N51 WeakPolarHBondContact O-CB 3.35Å; A47-N51 PolarHBondContact O-N 2.66Å
48I96.8Very high91.4Very high113 Ų11366 Ų6658%0.57935%0.353SS*.Hα-helixtrans-65-46.8176.5-65.4164.7000110.4S44 K45 A46 A50 N51 V52S44-I48 VanDerWaalsContact O-CG1 3.29Å; S44-I48 WeakPolarHBondContact O-CG1 3.42Å; S44-I48 PolarHBondContact O-N 2.87Å; K45-I48 PolarHBondContact O-N 3.04Å; A46-I48 PolarHBondContact O-N 3.08Å; I48-A50 VanDerWaalsContact C-N 3.34Å; I48-A50 PolarHBondContact O-N 3.28Å; I48-N51 WeakPolarHBondContact O-CB 3.12Å; I48-N51 PolarHBondContact O-N 3.42Å; I48-V52 WeakPolarHBondContact O-CG2 3.32Å; I48-V52 PolarHBondContact O-N 2.86Å
49A97.5Very high92.3Very high3 Ų368.7 Ų68.73%0.02535%0.354CS..Hα-helixtrans-60.8-41.7179.700000112.3F25 K45 A46 V52 W53 I82F25-A49 HydrophobicContact CE1-CB 4.46Å; F25-A49 HydrophobicContact CE2-CB 4.13Å; F25-A49 HydrophobicContact CZ-CB 3.64Å; K45-A49 WeakPolarHBondContact O-CB 3.41Å; K45-A49 PolarHBondContact O-N 2.78Å; A46-A49 PolarHBondContact O-N 2.94Å; A49-V52 PolarHBondContact O-N 3.4Å; A49-W53 PolarHBondContact O-N 2.99Å; A49-I82 HydrophobicContact CB-CD1 3.71Å; A49-I82 HydrophobicContact CB-CG1 4.36Å
50A98Very high93.5Very high1 Ų168.6 Ų68.61%0.00834%0.34CS..Hα-helixtrans-63.7-41.1174.900000112.1F25 G29 A46 I48 W53 N54 L89F25-A50 HydrophobicContact CD2-CB 3.89Å; F25-A50 HydrophobicContact CE2-CB 3.87Å; G29-A50 VanDerWaalsContact CA-CB 3.44Å; A46-A50 WeakPolarHBondContact O-CB 3.34Å; A46-A50 PolarHBondContact O-N 3.05Å; I48-A50 VanDerWaalsContact C-N 3.34Å; I48-A50 PolarHBondContact O-N 3.28Å; A50-W53 WeakPolarHBondContact O-CB 3.21Å; A50-W53 PolarHBondContact O-N 2.66Å; A50-N54 WeakPolarHBondContact O-CB 3.47Å; A50-N54 PolarHBondContact O-N 2.93Å; A50-N54 PolarHBondContact O-ND2 2.94Å; A50-L89 HydrophobicContact CB-CD1 4.23Å
51N98.2Very high94.6Very high98 Ų9868.1 Ų68.152%0.52433%0.334SS..Hα-helixtrans-61.3-48175.7-170-67.6000111.5A47 I48 W53 N54 I55A47-N51 WeakPolarHBondContact O-CB 3.35Å; A47-N51 PolarHBondContact O-N 2.66Å; I48-N51 WeakPolarHBondContact O-CB 3.12Å; I48-N51 PolarHBondContact O-N 3.42Å; N51-W53 VanDerWaalsContact C-N 3.34Å; N51-W53 PolarHBondContact O-N 2.96Å; N51-N54 PolarHBondContact O-N 3.28Å; N51-I55 WeakPolarHBondContact O-CG1 3.48Å; N51-I55 PolarHBondContact O-N 3.32Å; N51-I55 VanDerWaalsContact OD1-CD1 3.27Å; N51-I55 WeakPolarHBondContact OD1-CD1 3.47Å
52V98Very high94.6Very high33 Ų3369.7 Ų69.720%0.234%0.344CS..Hα-helixtrans-56.8-47.8175.7171.80000110.8I48 A49 N54 I55 Y56 I71I48-V52 WeakPolarHBondContact O-CG2 3.32Å; I48-V52 PolarHBondContact O-N 2.86Å; A49-V52 PolarHBondContact O-N 3.4Å; V52-N54 VanDerWaalsContact C-N 3.34Å; V52-N54 PolarHBondContact O-N 2.87Å; V52-I55 PolarHBondContact O-N 3.02Å; V52-Y56 HydrophobicContact CG1-CD2 4.03Å; V52-Y56 HydrophobicContact CG1-CE2 4Å; V52-Y56 WeakPolarHBondContact O-CD2 3.27Å; V52-Y56 PolarHBondContact O-N 3.15Å; V52-I71 HydrophobicContact CG1-CD1 4.25Å; V52-I71 HydrophobicContact CG1-CG2 4.44Å
53W97.9Very high94.3Very high10 Ų1072.4 Ų72.44%0.03836%0.364CS..Hα-helixtrans-54.3-50.1176.1-180-85.6000112.1A49 A50 N51 I55 Y56 Q57 V68 I71 I82 R84 L89A49-W53 PolarHBondContact O-N 2.99Å; A50-W53 WeakPolarHBondContact O-CB 3.21Å; A50-W53 PolarHBondContact O-N 2.66Å; N51-W53 VanDerWaalsContact C-N 3.34Å; N51-W53 PolarHBondContact O-N 2.96Å; W53-I55 VanDerWaalsContact C-N 3.31Å; W53-I55 PolarHBondContact O-N 3.15Å; W53-Y56 PolarHBondContact O-N 3.01Å; W53-Q57 VanDerWaalsContact O-CB 3.3Å; W53-Q57 WeakPolarHBondContact O-CB 3.48Å; W53-Q57 PolarHBondContact O-N 3.32Å; W53-V68 HydrophobicContact CD2-CG1 4.34Å; W53-V68 HydrophobicContact CE3-CG1 3.85Å; W53-V68 HydrophobicContact CH2-CB 3.86Å; W53-V68 HydrophobicContact CH2-CG1 3.57Å; W53-V68 WeakPolarHBondContact CH2-O 3.39Å; W53-V68 HydrophobicContact CZ2-CB 3.87Å; W53-V68 HydrophobicContact CZ2-CG1 4.05Å; W53-V68 WeakPolarHBondContact CZ2-O 3.31Å; W53-V68 HydrophobicContact CZ3-CB 4.2Å; W53-V68 HydrophobicContact CZ3-CG1 3.44Å; W53-V68 VanDerWaalsContact CZ3-CG1 3.44Å; W53-I71 HydrophobicContact CB-CD1 4.42Å; W53-I71 HydrophobicContact CE3-CD1 3.89Å; W53-I71 HydrophobicContact CE3-CG1 4.07Å; W53-I71 HydrophobicContact CZ3-CG1 4.31Å; W53-I82 HydrophobicContact CE3-CB 4.34Å; W53-I82 HydrophobicContact CE3-CG2 3.74Å; W53-I82 HydrophobicContact CZ3-CG2 4.29Å; W53-R84 HydrophobicContact CH2-CB 4.02Å; W53-R84 HydrophobicContact CZ2-CB 3.77Å; W53-L89 HydrophobicContact CB-CD1 3.86Å; W53-L89 HydrophobicContact CD2-CD1 4.36Å; W53-L89 HydrophobicContact CD2-CD2 3.59Å; W53-L89 HydrophobicContact CE3-CD2 4.15Å; W53-L89 HydrophobicContact CG-CD1 3.75Å; W53-L89 HydrophobicContact CG-CD2 3.82Å; W53-L89 HydrophobicContact CG-CG 4.47Å; W53-L89 HydrophobicContact CZ2-CD2 4.06Å
54N97Very high93.2Very high40 Ų4072 Ų7221%0.21437%0.371CS..Hα-helixtrans-64.8-32.9-176.6-69-23.9000113.2P27 A50 N51 V52 R58P27-N54 PolarHBondContact O-ND2 2.95Å; A50-N54 WeakPolarHBondContact O-CB 3.47Å; A50-N54 PolarHBondContact O-N 2.93Å; A50-N54 PolarHBondContact O-ND2 2.94Å; N51-N54 PolarHBondContact O-N 3.28Å; V52-N54 VanDerWaalsContact C-N 3.34Å; V52-N54 PolarHBondContact O-N 2.87Å; N54-R58 WeakPolarHBondContact O-CB 3.37Å; N54-R58 WeakPolarHBondContact O-CD 3.35Å; N54-R58 VanDerWaalsContact O-CG 3.22Å; N54-R58 WeakPolarHBondContact O-CG 3.21Å; N54-R58 PolarHBondContact O-N 2.96Å
55I96.4Very high91.9Very high88 Ų8873 Ų7345%0.45138%0.377SS..Hα-helixtrans-62.3-52.2175-69.6167.2000110.1N51 V52 W53 Q59N51-I55 WeakPolarHBondContact O-CG1 3.48Å; N51-I55 PolarHBondContact O-N 3.32Å; N51-I55 VanDerWaalsContact OD1-CD1 3.27Å; N51-I55 WeakPolarHBondContact OD1-CD1 3.47Å; V52-I55 PolarHBondContact O-N 3.02Å; W53-I55 VanDerWaalsContact C-N 3.31Å; W53-I55 PolarHBondContact O-N 3.15Å; I55-Q59 PolarHBondContact O-N 2.83Å; I55-Q59 VanDerWaalsContact O-N 3.15Å
56Y95.2Very high91.4Very high119 Ų11974.7 Ų74.747%0.46739%0.389SS..Hα-helixtrans-68.5-37-179.5-76-75.7000112.5V52 W53 Q59 L60 I71V52-Y56 HydrophobicContact CG1-CD2 4.03Å; V52-Y56 HydrophobicContact CG1-CE2 4Å; V52-Y56 WeakPolarHBondContact O-CD2 3.27Å; V52-Y56 PolarHBondContact O-N 3.15Å; W53-Y56 PolarHBondContact O-N 3.01Å; Y56-Q59 PolarHBondContact O-N 2.82Å; Y56-L60 PolarHBondContact O-N 3.43Å; Y56-I71 HydrophobicContact CD2-CD1 3.84Å; Y56-I71 HydrophobicContact CG-CD1 4.27Å
57Q94.4Very high91.1Very high20 Ų2078.4 Ų78.49%0.09341%0.412CS..Hα-helixtrans-61.1-48177.2-177.75840.300111.4W53 Q59 L60 E61 V68W53-Q57 VanDerWaalsContact O-CB 3.3Å; W53-Q57 WeakPolarHBondContact O-CB 3.48Å; W53-Q57 PolarHBondContact O-N 3.32Å; Q57-Q59 VanDerWaalsContact C-N 3.3Å; Q57-Q59 PolarHBondContact O-N 2.81Å; Q57-L60 PolarHBondContact O-N 3.23Å; Q57-E61 WeakPolarHBondContact CG-OE1 3.09Å; Q57-E61 PolarHBondContact NE2-OE1 2.82Å; Q57-E61 WeakPolarHBondContact O-CG 3.37Å; Q57-E61 PolarHBondContact O-N 3.12Å; Q57-V68 HydrophobicContact CB-CG2 4.15Å
58R93.5Very high90.9Very high169 Ų16976.8 Ų76.864%0.63840%0.397SS*.Hα-helixtrans-62.8-37.2176.7-71.9171.4-172.8164.22.6112.7N54 S62N54-R58 WeakPolarHBondContact O-CB 3.37Å; N54-R58 WeakPolarHBondContact O-CD 3.35Å; N54-R58 VanDerWaalsContact O-CG 3.22Å; N54-R58 WeakPolarHBondContact O-CG 3.21Å; N54-R58 PolarHBondContact O-N 2.96Å; R58-S62 PolarHBondContact O-N 2.84Å
59Q91.7Very high90.8Very high121 Ų12177.7 Ų77.757%0.56540%0.399SS*.Hα-helixtrans-64.2-42.6178-174.6172.6-11.700111.4I55 Y56 Q57 S62I55-Q59 PolarHBondContact O-N 2.83Å; I55-Q59 VanDerWaalsContact O-N 3.15Å; Y56-Q59 PolarHBondContact O-N 2.82Å; Q57-Q59 VanDerWaalsContact C-N 3.3Å; Q57-Q59 PolarHBondContact O-N 2.81Å; Q59-S62 PolarHBondContact O-N 2.86Å; Q59-S62 PolarHBondContact O-OG 2.99Å
60L90.6Very high90.8Very high57 Ų5780.1 Ų80.130%0.29841%0.41SS..Hα-helixtrans-73.1-36.3177.5-65.4180000113Y56 Q57 S62 S63 D66 V68Y56-L60 PolarHBondContact O-N 3.43Å; Q57-L60 PolarHBondContact O-N 3.23Å; L60-S62 PolarHBondContact O-N 3.47Å; L60-S63 WeakPolarHBondContact CA-OG 3.31Å; L60-S63 PolarHBondContact O-N 2.87Å; L60-S63 PolarHBondContact O-OG 2.82Å; L60-D66 CarbonylContact C-O 3.56Å; L60-D66 HydrophobicContact CB-CB 4.24Å; L60-D66 WeakPolarHBondContact CB-O 3.41Å; L60-D66 HydrophobicContact CD1-CB 4.26Å; L60-D66 HydrophobicContact CD2-CB 4.26Å; L60-V68 HydrophobicContact CD1-CB 4.41Å; L60-V68 HydrophobicContact CD1-CG2 3.63Å; L60-V68 HydrophobicContact CG-CG2 4.45Å
61E88.1Confident90.8Very high114 Ų11480.9 Ų80.953%0.53341%0.413SS..Hα-helixtrans-58.8-34.1174-76.1168.2179.600112.2Q57 S63 E64Q57-E61 WeakPolarHBondContact CG-OE1 3.09Å; Q57-E61 PolarHBondContact NE2-OE1 2.82Å; Q57-E61 WeakPolarHBondContact O-CG 3.37Å; Q57-E61 PolarHBondContact O-N 3.12Å; E61-S63 PolarHBondContact O-N 2.76Å; E61-E64 PolarHBondContact O-N 2.86Å
62S86.3Confident90.7Very high99 Ų9979.2 Ų79.269%0.69240%0.404SS*.THydrogen-bonded Turntrans-69.8-13.3175.475.80000114.3R58 Q59 L60R58-S62 PolarHBondContact O-N 2.84Å; Q59-S62 PolarHBondContact O-N 2.86Å; Q59-S62 PolarHBondContact O-OG 2.99Å; L60-S62 PolarHBondContact O-N 3.47Å
63S84.4Confident90.7Very high63 Ų6379.9 Ų79.944%0.44141%0.406SS..THydrogen-bonded Turntrans-98.911.8178.757.70000114.4L60 E61 S65L60-S63 WeakPolarHBondContact CA-OG 3.31Å; L60-S63 PolarHBondContact O-N 2.87Å; L60-S63 PolarHBondContact O-OG 2.82Å; E61-S63 PolarHBondContact O-N 2.76Å; S63-S65 PolarHBondContact O-N 3.43Å
64E72.4Confident90.6Very high194 Ų19487.9 Ų87.991%0.90744%0.441SS*.SBendtrans59.1-4.3174.5-69.3-168.8168.300118.4E61E61-E64 PolarHBondContact O-N 2.86Å
65S66.6Low90.4Very high90 Ų9090 Ų9063%0.62945%0.452SS*.SBendtrans-125.9-16.7-178.162.90000117.6S63S63-S65 PolarHBondContact O-N 3.43Å
66D83.2Confident90.3Very high88 Ų8890.9 Ų90.947%0.47147%0.466SS..  trans-129.2146-165.3-71.2-58.7000114.9L60L60-D66 CarbonylContact C-O 3.56Å; L60-D66 HydrophobicContact CB-CB 4.24Å; L60-D66 WeakPolarHBondContact CB-O 3.41Å; L60-D66 HydrophobicContact CD1-CB 4.26Å; L60-D66 HydrophobicContact CD2-CB 4.26Å
67T89.7Confident90.1Very high79 Ų7991.2 Ų91.249%0.48547%0.472SS..  trans-117.9145.717055.70000108.3Q69T67-Q69 PolarHBondContact O-N 3.1Å; T67-Q69 VanDerWaalsContact O-N 3.15Å; T67-Q69 PolarHBondContact O-NE2 3.01Å; T67-Q69 VanDerWaalsContact O-NE2 3.15Å; T67-Q69 PolarHBondContact OG1-NE2 3.39Å
68V93.9Very high90.1Very high14 Ų1490.3 Ų90.39%0.08547%0.468CS..  trans-63.9120.7177.6179.50000108.4W53 Q57 L60 I71W53-V68 HydrophobicContact CD2-CG1 4.34Å; W53-V68 HydrophobicContact CE3-CG1 3.85Å; W53-V68 HydrophobicContact CH2-CB 3.86Å; W53-V68 HydrophobicContact CH2-CG1 3.57Å; W53-V68 WeakPolarHBondContact CH2-O 3.39Å; W53-V68 HydrophobicContact CZ2-CB 3.87Å; W53-V68 HydrophobicContact CZ2-CG1 4.05Å; W53-V68 WeakPolarHBondContact CZ2-O 3.31Å; W53-V68 HydrophobicContact CZ3-CB 4.2Å; W53-V68 HydrophobicContact CZ3-CG1 3.44Å; W53-V68 VanDerWaalsContact CZ3-CG1 3.44Å; Q57-V68 HydrophobicContact CB-CG2 4.15Å; L60-V68 HydrophobicContact CD1-CB 4.41Å; L60-V68 HydrophobicContact CD1-CG2 3.63Å; L60-V68 HydrophobicContact CG-CG2 4.45Å; V68-I71 HydrophobicContact CG1-CD1 3.97Å; V68-I71 HydrophobicContact CG1-CG1 3.56Å
69Q94.1Very high90.2Very high131 Ų13183.2 Ų83.261%0.61244%0.442SS*.  trans-85.5-49.4176.3-60.7-56.3-50.800110.9T67 T83T67-Q69 PolarHBondContact O-N 3.1Å; T67-Q69 VanDerWaalsContact O-N 3.15Å; T67-Q69 PolarHBondContact O-NE2 3.01Å; T67-Q69 VanDerWaalsContact O-NE2 3.15Å; T67-Q69 PolarHBondContact OG1-NE2 3.39Å; Q69-T83 PolarHBondContact O-OG1 2.92Å
70E96.8Very high90.4Very high55 Ų5578.4 Ų78.426%0.25742%0.42SS..EExtended strand (participates in β ladder)trans-152.2148.5179.561-177-132.900110.3I82 R104E70-I82 CarbonylContact C-O 3.54Å; E70-I82 VanDerWaalsContact CA-O 3.3Å; E70-I82 WeakPolarHBondContact CA-O 3.34Å; E70-R104 VanDerWaalsContact CD-NE 3.3Å; E70-R104 VanDerWaalsContact CD-NH2 3.27Å; E70-R104 IonicContact OE1-CZ 3.77Å; E70-R104 IonicContact OE1-NE 3.24Å; E70-R104 PolarHBondContact OE1-NE 3.36Å; E70-R104 IonicContact OE1-NH1 3.89Å; E70-R104 IonicContact OE1-NH2 3.14Å; E70-R104 PolarHBondContact OE1-NH2 2.85Å; E70-R104 IonicContact OE2-CZ 2.82Å; E70-R104 IonicContact OE2-NE 2.86Å; E70-R104 PolarHBondContact OE2-NE 2.86Å; E70-R104 IonicContact OE2-NH2 3.2Å; E70-R104 PolarHBondContact OE2-NH2 2.81Å
71I97.7Very high90.8Very high16 Ų1675.7 Ų75.78%0.08241%0.406CS..EExtended strand (participates in β ladder)trans-120.8123.8168.9-59179.9000107.3V52 W53 Y56 V68 L73 I81 I82V52-I71 HydrophobicContact CG1-CD1 4.25Å; V52-I71 HydrophobicContact CG1-CG2 4.44Å; W53-I71 HydrophobicContact CB-CD1 4.42Å; W53-I71 HydrophobicContact CE3-CD1 3.89Å; W53-I71 HydrophobicContact CE3-CG1 4.07Å; W53-I71 HydrophobicContact CZ3-CG1 4.31Å; Y56-I71 HydrophobicContact CD2-CD1 3.84Å; Y56-I71 HydrophobicContact CG-CD1 4.27Å; V68-I71 HydrophobicContact CG1-CD1 3.97Å; V68-I71 HydrophobicContact CG1-CG1 3.56Å; I71-L73 HydrophobicContact CG2-CD2 3.77Å; I71-L73 HydrophobicContact CG2-CG 3.99Å; I71-I81 CarbonylContact O-C 3.48Å; I71-I81 VanDerWaalsContact O-CA 3.3Å; I71-I81 WeakPolarHBondContact O-CA 3.5Å; I71-I82 HydrophobicContact CB-CB 4.44Å; I71-I82 PolarHBondContact N-O 2.89Å; I71-I82 PolarHBondContact O-N 2.92Å
72I97.7Very high91.3Very high63 Ų6370.3 Ų70.332%0.32338%0.381SS..EExtended strand (participates in β ladder)trans-111.8120.8173.6-59.8177.8000108.3L80 I81 L100I72-L80 CarbonylContact C-O 3.57Å; I72-L80 WeakPolarHBondContact CA-O 3.34Å; I72-I81 HydrophobicContact CD1-CD1 4.01Å; I72-I81 HydrophobicContact CG1-CB 4.17Å; I72-I81 HydrophobicContact CG1-CD1 3.86Å; I72-I81 HydrophobicContact CG1-CG1 3.84Å; I72-L100 HydrophobicContact CG2-CD2 3.63Å
73L96.6Very high91.8Very high48 Ų4866.6 Ų66.625%0.25135%0.354SS..EExtended strand (participates in β ladder)trans-109.4124.2177.2-53.9172.2000109.1I71 L75 K79 L80 I82I71-L73 HydrophobicContact CG2-CD2 3.77Å; I71-L73 HydrophobicContact CG2-CG 3.99Å; L73-L75 HydrophobicContact CB-CD2 4.38Å; L73-K79 CarbonylContact O-C 3.57Å; L73-K79 VanDerWaalsContact O-CA 3.23Å; L73-K79 WeakPolarHBondContact O-CA 3.42Å; L73-L80 HydrophobicContact CB-CB 4.17Å; L73-L80 HydrophobicContact CD1-CB 4.39Å; L73-L80 HydrophobicContact CD1-CD1 4.21Å; L73-L80 PolarHBondContact N-O 3.02Å; L73-L80 PolarHBondContact O-N 3.24Å; L73-I82 HydrophobicContact CD1-CD1 4.38Å
74K96.4Very high92.4Very high177 Ų17770.3 Ų70.377%0.7736%0.358SS*.EExtended strand (participates in β ladder)trans-92.9120.5167.2-173179.4178.1-1760108.3
75L93.7Very high93.4Very high85 Ų8561.1 Ų61.145%0.44532%0.315SS..  trans-109.2171.8179.4-53.6175.7000109.6L73 G78 L80L73-L75 HydrophobicContact CB-CD2 4.38Å; L75-G78 CarbonylContact C-O 3.56Å; L75-G78 WeakPolarHBondContact CA-O 3.48Å; L75-G78 WeakPolarHBondContact CB-O 3.3Å; L75-G78 PolarHBondContact N-O 2.92Å; L75-L80 HydrophobicContact CD1-CD1 4.04Å; L75-L80 HydrophobicContact CD1-CG 3.97Å
76S93.4Very high94.5Very high106 Ų10657.9 Ų57.974%0.74129%0.294SS*.SBendtrans-59.6-46.4175.348.30000112.1
77E90.4Very high94.9Very high126 Ų12656.1 Ų56.159%0.58929%0.288SS*.SBendtrans-107.910.7-173.6-62.8-52.5138.800114.4
78G94.5Very high95Very high2 Ų253.1 Ų53.12%0.02127%0.27CS..EExtended strand (participates in β ladder)trans177.4-170.5-175.500000114.4L75 A94L75-G78 CarbonylContact C-O 3.56Å; L75-G78 WeakPolarHBondContact CA-O 3.48Å; L75-G78 WeakPolarHBondContact CB-O 3.3Å; L75-G78 PolarHBondContact N-O 2.92Å; G78-A94 CarbonylContact C-O 3.55Å; G78-A94 WeakPolarHBondContact CA-O 3.47Å
79K96.4Very high95.2Very high20 Ų2052.5 Ų52.59%0.08727%0.266CS..EExtended strand (participates in β ladder)trans-137.1140.9173.8-54.5-172.4-16772.40109.3L73 H93 A94 K96 V98 L100 L103L73-K79 CarbonylContact O-C 3.57Å; L73-K79 VanDerWaalsContact O-CA 3.23Å; L73-K79 WeakPolarHBondContact O-CA 3.42Å; K79-H93 WeakPolarHBondContact O-CA 3.3Å; K79-A94 PolarHBondContact N-O 3.27Å; K79-A94 PolarHBondContact O-N 3.36Å; K79-K96 VanDerWaalsContact NZ-C 3.34Å; K79-K96 PolarHBondContact NZ-O 3.46Å; K79-V98 WeakPolarHBondContact CE-O 3.3Å; K79-V98 PolarHBondContact NZ-O 2.82Å; K79-L100 HydrophobicContact CD-CD2 3.54Å; K79-L100 HydrophobicContact CD-CG 4.39Å; K79-L103 HydrophobicContact CB-CD2 3.72Å
80L96.5Very high95.3Very high20 Ų2046.3 Ų46.311%0.10524%0.237CC..EExtended strand (participates in β ladder)trans-109.2143.1169-62.6177.9000109I72 L73 L75 L92 H93I72-L80 CarbonylContact C-O 3.57Å; I72-L80 WeakPolarHBondContact CA-O 3.34Å; L73-L80 HydrophobicContact CB-CB 4.17Å; L73-L80 HydrophobicContact CD1-CB 4.39Å; L73-L80 HydrophobicContact CD1-CD1 4.21Å; L73-L80 PolarHBondContact N-O 3.02Å; L73-L80 PolarHBondContact O-N 3.24Å; L75-L80 HydrophobicContact CD1-CD1 4.04Å; L75-L80 HydrophobicContact CD1-CG 3.97Å; L80-L92 VanDerWaalsContact CA-O 3.3Å; L80-L92 WeakPolarHBondContact CA-O 3.44Å; L80-H93 HydrophobicContact CD2-CB 3.43Å; L80-H93 VanDerWaalsContact CD2-CB 3.43Å
81I98.2Very high95.2Very high0 Ų043.7 Ų43.70%023%0.225CC..EExtended strand (participates in β ladder)trans-127.2131.6161.2178.4168000107.7I71 I72 C91 L92 L103 R104 M107I71-I81 CarbonylContact O-C 3.48Å; I71-I81 VanDerWaalsContact O-CA 3.3Å; I71-I81 WeakPolarHBondContact O-CA 3.5Å; I72-I81 HydrophobicContact CD1-CD1 4.01Å; I72-I81 HydrophobicContact CG1-CB 4.17Å; I72-I81 HydrophobicContact CG1-CD1 3.86Å; I72-I81 HydrophobicContact CG1-CG1 3.84Å; I81-C91 CarbonylContact O-C 3.47Å; I81-C91 VanDerWaalsContact O-CA 3.25Å; I81-C91 WeakPolarHBondContact O-CA 3.25Å; I81-L92 HydrophobicContact CG2-CB 3.73Å; I81-L92 HydrophobicContact CG2-CD1 4.36Å; I81-L92 HydrophobicContact CG2-CG 4.31Å; I81-L92 PolarHBondContact N-O 3.36Å; I81-L92 PolarHBondContact O-N 2.88Å; I81-L103 HydrophobicContact CB-CD2 4.18Å; I81-L103 HydrophobicContact CB-CG 4.14Å; I81-L103 HydrophobicContact CG2-CD1 3.56Å; I81-L103 HydrophobicContact CG2-CD2 3.89Å; I81-L103 HydrophobicContact CG2-CG 3.46Å; I81-L103 VanDerWaalsContact CG2-CG 3.46Å; I81-R104 HydrophobicContact CD1-CB 4.28Å; I81-R104 HydrophobicContact CD1-CG 4.24Å; I81-M107 HydrophobicContact CB-CE 4.34Å; I81-M107 HydrophobicContact CD1-CB 3.85Å; I81-M107 HydrophobicContact CD1-CG 3.98Å; I81-M107 HydrophobicContact CG1-CB 4.4Å; I81-M107 HydrophobicContact CG1-CE 4.11Å; I81-M107 HydrophobicContact CG1-CG 4.2Å; I81-M107 HydrophobicContact CG2-CB 4.2Å; I81-M107 HydrophobicContact CG2-CE 3.76Å; I81-M107 WeakPolarHBondContact O-CE 3.14Å
82I98.5Very high95.2Very high0 Ų042.9 Ų42.90%022%0.221CC..EExtended strand (participates in β ladder)trans-123.4134.6-178.2-51.7160.7000107.5F25 A49 W53 E70 I71 L73 L90 C91F25-I82 HydrophobicContact CZ-CG2 4.46Å; A49-I82 HydrophobicContact CB-CD1 3.71Å; A49-I82 HydrophobicContact CB-CG1 4.36Å; W53-I82 HydrophobicContact CE3-CB 4.34Å; W53-I82 HydrophobicContact CE3-CG2 3.74Å; W53-I82 HydrophobicContact CZ3-CG2 4.29Å; E70-I82 CarbonylContact C-O 3.54Å; E70-I82 VanDerWaalsContact CA-O 3.3Å; E70-I82 WeakPolarHBondContact CA-O 3.34Å; I71-I82 HydrophobicContact CB-CB 4.44Å; I71-I82 PolarHBondContact N-O 2.89Å; I71-I82 PolarHBondContact O-N 2.92Å; L73-I82 HydrophobicContact CD1-CD1 4.38Å; I82-L90 WeakPolarHBondContact CA-O 3.34Å; I82-C91 HydrophobicContact CG1-CB 4.2Å
83T97.5Very high95Very high21 Ų2141 Ų4113%0.12921%0.211CC..EExtended strand (participates in β ladder)trans-145.8164.2170.8-1700000110Q69 V85 L90 M107 V111Q69-T83 PolarHBondContact O-OG1 2.92Å; T83-V85 HydrophobicContact CG2-CG2 4.29Å; T83-L90 HydrophobicContact CG2-CB 4.47Å; T83-L90 PolarHBondContact N-O 2.94Å; T83-L90 PolarHBondContact O-N 3Å; T83-M107 HydrophobicContact CG2-CE 4.03Å; T83-M107 HydrophobicContact CG2-CG 3.83Å; T83-M107 HydrophobicContact CG2-SD 3.47Å; T83-M107 WeakPolarHBondContact CG2-SD 3.35Å; T83-V111 HydrophobicContact CG2-CG2 3.58Å
84R95.6Very high95Very high142 Ų14238.8 Ų38.854%0.53620%0.199SC..EExtended strand (participates in β ladder)trans-91.1134.5175-175.1176176.3178.32.6110.1W53 A86 V88 L89W53-R84 HydrophobicContact CH2-CB 4.02Å; W53-R84 HydrophobicContact CZ2-CB 3.77Å; R84-A86 WeakPolarHBondContact CG-O 3.07Å; R84-A86 PolarHBondContact NE-O 2.96Å; R84-V88 WeakPolarHBondContact CA-O 3.22Å; R84-L89 HydrophobicContact CB-CD2 4.12Å; R84-L89 HydrophobicContact CG-CD2 4.48Å
85V93.3Very high94.9Very high0 Ų031.3 Ų31.30%017%0.169CC..EExtended strand (participates in β ladder)trans-127.8112.4172.1-172.20000107.6T83 S87 V88 L90 V111 L114 Q115 L118T83-V85 HydrophobicContact CG2-CG2 4.29Å; V85-S87 PolarHBondContact O-N 2.74Å; V85-V88 PolarHBondContact N-O 2.85Å; V85-V88 VanDerWaalsContact O-CG2 3.27Å; V85-V88 WeakPolarHBondContact O-CG2 3.47Å; V85-V88 PolarHBondContact O-N 3.44Å; V85-V88 VanDerWaalsContact O-N 3.09Å; V85-L90 HydrophobicContact CG2-CB 3.83Å; V85-L90 HydrophobicContact CG2-CD2 3.9Å; V85-V111 HydrophobicContact CG2-CB 4.29Å; V85-V111 HydrophobicContact CG2-CG1 4.16Å; V85-V111 HydrophobicContact CG2-CG2 3.77Å; V85-L114 HydrophobicContact CG1-CB 4.18Å; V85-Q115 HydrophobicContact CG1-CB 4.38Å; V85-L118 HydrophobicContact CB-CD1 4.22Å; V85-L118 HydrophobicContact CG1-CD1 3.86Å
86A90.5Very high95Very high23 Ų2332.9 Ų32.919%0.1917%0.172CC..THydrogen-bonded Turntrans52.8-118.8-168.900000112.2R84 L118R84-A86 WeakPolarHBondContact CG-O 3.07Å; R84-A86 PolarHBondContact NE-O 2.96Å; A86-L118 HydrophobicContact CB-CB 4.15Å
87S90.8Very high95.1Very high50 Ų5034.1 Ų34.135%0.3517%0.171SC..THydrogen-bonded Turntrans-94.9-1.3178.664.50000114.6V85 A122V85-S87 PolarHBondContact O-N 2.74Å; S87-A122 WeakPolarHBondContact OG-CB 3.33Å
88V93.6Very high95.4Very high17 Ų1728.6 Ų28.610%0.10315%0.146CC..EExtended strand (participates in β ladder)trans-114.3162.2-175.8-59.80000111.7L24 F25 L32 R84 V85 L118L24-V88 HydrophobicContact CD2-CG2 4.11Å; F25-V88 WeakPolarHBondContact O-CB 3.1Å; L32-V88 HydrophobicContact CD1-CB 4.38Å; L32-V88 HydrophobicContact CD1-CG1 3.59Å; R84-V88 WeakPolarHBondContact CA-O 3.22Å; V85-V88 PolarHBondContact N-O 2.85Å; V85-V88 VanDerWaalsContact O-CG2 3.27Å; V85-V88 WeakPolarHBondContact O-CG2 3.47Å; V85-V88 PolarHBondContact O-N 3.44Å; V85-V88 VanDerWaalsContact O-N 3.09Å; V88-L118 HydrophobicContact CG2-CD1 3.77Å
89L96.5Very high95.4Very high1 Ų130.5 Ų30.51%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-97.3135.1171.9-61.7177.7000109.6L24 F25 A50 W53 R84L24-L89 WeakPolarHBondContact CA-O 3.5Å; F25-L89 HydrophobicContact CD2-CB 3.7Å; F25-L89 HydrophobicContact CD2-CD1 4.04Å; F25-L89 HydrophobicContact CD2-CG 4.41Å; F25-L89 HydrophobicContact CE2-CB 3.41Å; F25-L89 VanDerWaalsContact CE2-CB 3.41Å; F25-L89 HydrophobicContact CE2-CD1 3.6Å; F25-L89 HydrophobicContact CE2-CG 4.14Å; F25-L89 HydrophobicContact CG-CB 4.43Å; F25-L89 HydrophobicContact CZ-CB 3.93Å; F25-L89 PolarHBondContact N-O 3.19Å; F25-L89 PolarHBondContact O-N 3.15Å; A50-L89 HydrophobicContact CB-CD1 4.23Å; W53-L89 HydrophobicContact CB-CD1 3.86Å; W53-L89 HydrophobicContact CD2-CD1 4.36Å; W53-L89 HydrophobicContact CD2-CD2 3.59Å; W53-L89 HydrophobicContact CE3-CD2 4.15Å; W53-L89 HydrophobicContact CG-CD1 3.75Å; W53-L89 HydrophobicContact CG-CD2 3.82Å; W53-L89 HydrophobicContact CG-CG 4.47Å; W53-L89 HydrophobicContact CZ2-CD2 4.06Å; R84-L89 HydrophobicContact CB-CD2 4.12Å; R84-L89 HydrophobicContact CG-CD2 4.48Å
90L96Very high95.4Very high0 Ų033.8 Ų33.80%018%0.183CC..EExtended strand (participates in β ladder)trans-111.1128.7173.9174.862.5000108.4V22 M23 L24 I82 T83 V85 M107 L110 V111 L114V22-L90 HydrophobicContact CG1-CD1 3.97Å; M23-L90 WeakPolarHBondContact O-CA 3.22Å; L24-L90 HydrophobicContact CD2-CB 3.92Å; L24-L90 HydrophobicContact CD2-CD1 3.63Å; L24-L90 HydrophobicContact CD2-CG 4.32Å; L24-L90 HydrophobicContact CG-CD1 4.08Å; I82-L90 WeakPolarHBondContact CA-O 3.34Å; T83-L90 HydrophobicContact CG2-CB 4.47Å; T83-L90 PolarHBondContact N-O 2.94Å; T83-L90 PolarHBondContact O-N 3Å; V85-L90 HydrophobicContact CG2-CB 3.83Å; V85-L90 HydrophobicContact CG2-CD2 3.9Å; L90-M107 HydrophobicContact CB-SD 4.45Å; L90-M107 HydrophobicContact CD2-CE 4.45Å; L90-M107 HydrophobicContact CD2-SD 3.48Å; L90-M107 WeakPolarHBondContact CD2-SD 3.11Å; L90-M107 HydrophobicContact CG-CE 4.05Å; L90-M107 HydrophobicContact CG-SD 3.74Å; L90-M107 WeakPolarHBondContact O-CE 3.48Å; L90-L110 HydrophobicContact CD1-CD2 3.74Å; L90-L110 HydrophobicContact CD1-CG 4.48Å; L90-L110 HydrophobicContact CD2-CB 4.18Å; L90-L110 HydrophobicContact CD2-CD2 3.79Å; L90-L110 HydrophobicContact CD2-CG 3.79Å; L90-L110 HydrophobicContact CG-CD2 4.28Å; L90-V111 HydrophobicContact CD2-CG2 4.15Å; L90-L114 HydrophobicContact CD1-CD1 4.49Å; L90-L114 HydrophobicContact CD2-CD1 4.32Å
91C96.7Very high95.4Very high0 Ų035.5 Ų35.50%021%0.206CC..EExtended strand (participates in β ladder)trans-126.6133.9177.9-175.50000111V22 M23 F25 I81 I82V22-C91 WeakPolarHBondContact CA-O 3.47Å; M23-C91 HydrophobicContact CB-CB 4.35Å; M23-C91 HydrophobicContact CE-CB 4.1Å; M23-C91 PolarHBondContact N-O 3.28Å; M23-C91 PolarHBondContact O-N 2.99Å; F25-C91 HydrophobicContact CE1-CB 3.49Å; F25-C91 VanDerWaalsContact CE1-CB 3.49Å; F25-C91 HydrophobicContact CZ-CB 3.8Å; I81-C91 CarbonylContact O-C 3.47Å; I81-C91 VanDerWaalsContact O-CA 3.25Å; I81-C91 WeakPolarHBondContact O-CA 3.25Å; I82-C91 HydrophobicContact CG1-CB 4.2Å
92L96Very high95.3Very high0 Ų040.7 Ų40.70%023%0.232CC..EExtended strand (participates in β ladder)trans-109.1130.4166.6-60-177.9000109.6I19 V22 L80 I81 L103 K106 M107 L110I19-L92 HydrophobicContact CG2-CD2 4.4Å; V22-L92 HydrophobicContact CB-CD2 4Å; V22-L92 HydrophobicContact CG1-CD2 3.71Å; V22-L92 HydrophobicContact CG2-CD2 3.6Å; L80-L92 VanDerWaalsContact CA-O 3.3Å; L80-L92 WeakPolarHBondContact CA-O 3.44Å; I81-L92 HydrophobicContact CG2-CB 3.73Å; I81-L92 HydrophobicContact CG2-CD1 4.36Å; I81-L92 HydrophobicContact CG2-CG 4.31Å; I81-L92 PolarHBondContact N-O 3.36Å; I81-L92 PolarHBondContact O-N 2.88Å; L92-L103 HydrophobicContact CB-CD1 4.01Å; L92-L103 HydrophobicContact CD1-CD1 4.31Å; L92-K106 HydrophobicContact CD1-CB 4.15Å; L92-M107 HydrophobicContact CB-CE 4.33Å; L92-M107 HydrophobicContact CD1-CB 4Å; L92-M107 HydrophobicContact CD1-CE 4.35Å; L92-M107 HydrophobicContact CD1-SD 4.46Å; L92-M107 HydrophobicContact CG-CE 3.82Å; L92-M107 HydrophobicContact CG-SD 4.36Å; L92-L110 HydrophobicContact CD2-CD2 3.99Å
93H95Very high95.2Very high24 Ų2440.7 Ų40.711%0.11123%0.232CC..EExtended strand (participates in β ladder)trans-105123.1167.8-177.4-147.3000110I19 Q20 S21 K79 L80I19-H93 CarbonylContact C-O 3.6Å; Q20-H93 PolarHBondContact N-O 3.3Å; Q20-H93 PolarHBondContact OE1-CE1 3.45Å; Q20-H93 PolarHBondContact OE1-ND1 2.87Å; Q20-H93 PolarHBondContact OE1-NE2 2.78Å; S21-H93 PolarHBondContact N-O 3.47Å; S21-H93 VanDerWaalsContact N-O 3.15Å; S21-H93 PolarHBondContact O-N 2.85Å; S21-H93 VanDerWaalsContact OG-CB 3.22Å; S21-H93 WeakPolarHBondContact OG-CB 3.47Å; K79-H93 WeakPolarHBondContact O-CA 3.3Å; L80-H93 HydrophobicContact CD2-CB 3.43Å; L80-H93 VanDerWaalsContact CD2-CB 3.43Å
94A95.5Very high95.1Very high0 Ų045.4 Ų45.40%025%0.247CC..EExtended strand (participates in β ladder)trans-120.8153.1-178.400000111.2G18 I19 G78 K79 V98 L103G18-A94 CarbonylContact O-C 3.57Å; G18-A94 WeakPolarHBondContact O-CA 3.33Å; I19-A94 HydrophobicContact CD1-CB 3.76Å; G78-A94 CarbonylContact C-O 3.55Å; G78-A94 WeakPolarHBondContact CA-O 3.47Å; K79-A94 PolarHBondContact N-O 3.27Å; K79-A94 PolarHBondContact O-N 3.36Å; A94-V98 HydrophobicContact CB-CB 3.87Å; A94-V98 HydrophobicContact CB-CG1 4.18Å; A94-V98 HydrophobicContact CB-CG2 3.91Å; A94-L103 HydrophobicContact CB-CD1 3.77Å; A94-L103 HydrophobicContact CB-CD2 4.29Å
95S94.8Very high95.1Very high21 Ų2141.3 Ų41.315%0.14724%0.243CC..EExtended strand (participates in β ladder)trans-63.8163.5171.772.80000111.8G18 D97 V98G18-S95 PolarHBondContact O-N 3.06Å; S95-D97 PolarHBondContact O-N 2.98Å; S95-D97 VanDerWaalsContact O-N 3.12Å; S95-V98 PolarHBondContact O-N 3.37Å
96K95.4Very high95.2Very high117 Ų11742.7 Ų42.751%0.50925%0.249SC..THydrogen-bonded Turntrans-59.6-21.7179.467.7-174.2177.7-169.30114.3K79K79-K96 VanDerWaalsContact NZ-C 3.34Å; K79-K96 PolarHBondContact NZ-O 3.46Å
97D95.4Very high95.5Very high132 Ų13241.6 Ų41.671%0.70624%0.241SC*.THydrogen-bonded Turntrans-85.8-14.2-177.1-50.1-57.4000113.2S95 G99S95-D97 PolarHBondContact O-N 2.98Å; S95-D97 VanDerWaalsContact O-N 3.12Å; D97-G99 PolarHBondContact O-N 3.29Å
98V95.9Very high95.7Very high10 Ų1042.7 Ų42.76%0.06124%0.243CC..SBendtrans-73.3119.4178.7-1770000110.2G17 K79 A94 S95 M102 L103G17-V98 WeakPolarHBondContact O-CG2 3.45Å; K79-V98 WeakPolarHBondContact CE-O 3.3Å; K79-V98 PolarHBondContact NZ-O 2.82Å; A94-V98 HydrophobicContact CB-CB 3.87Å; A94-V98 HydrophobicContact CB-CG1 4.18Å; A94-V98 HydrophobicContact CB-CG2 3.91Å; S95-V98 PolarHBondContact O-N 3.37Å; V98-M102 HydrophobicContact CG1-CB 4.31Å; V98-M102 HydrophobicContact CG1-CG 4.28Å; V98-L103 HydrophobicContact CG1-CB 4.13Å
99G96.2Very high95.6Very high42 Ų4243.7 Ų43.743%0.43325%0.252SS..  trans-63.4146.4175.500000112.7D97 G101 M102 L103D97-G99 PolarHBondContact O-N 3.29Å; G99-G101 VanDerWaalsContact C-N 3.32Å; G99-G101 PolarHBondContact O-N 3.12Å; G99-M102 PolarHBondContact O-N 3.33Å; G99-M102 VanDerWaalsContact O-N 3.14Å; G99-L103 PolarHBondContact O-N 3.22Å
100L96.1Very high95.4Very high89 Ų8943.8 Ų43.847%0.46625%0.253SS..Hα-helixtrans-58.2-41.5-178.5-70.6-178.2000113.1I72 K79 M102 L103 R104I72-L100 HydrophobicContact CG2-CD2 3.63Å; K79-L100 HydrophobicContact CD-CD2 3.54Å; K79-L100 HydrophobicContact CD-CG 4.39Å; L100-M102 VanDerWaalsContact C-N 3.33Å; L100-M102 PolarHBondContact O-N 2.78Å; L100-L103 PolarHBondContact O-N 3.27Å; L100-R104 WeakPolarHBondContact O-CB 3.35Å; L100-R104 PolarHBondContact O-N 3.18Å
101G96.2Very high95.3Very high57 Ų5745.2 Ų45.259%0.58826%0.261SS*.Hα-helixtrans-60.9-41.6176.700000112.6G99 A105G99-G101 VanDerWaalsContact C-N 3.32Å; G99-G101 PolarHBondContact O-N 3.12Å; G101-A105 WeakPolarHBondContact O-CB 3.29Å; G101-A105 PolarHBondContact O-N 2.85Å
102M95.4Very high95Very high108 Ų10852.6 Ų52.653%0.53230%0.296SS..Hα-helixtrans-66.6-44175.9-178.458.165.700111.5V98 G99 L100 R104 A105 K106V98-M102 HydrophobicContact CG1-CB 4.31Å; V98-M102 HydrophobicContact CG1-CG 4.28Å; G99-M102 PolarHBondContact O-N 3.33Å; G99-M102 VanDerWaalsContact O-N 3.14Å; L100-M102 VanDerWaalsContact C-N 3.33Å; L100-M102 PolarHBondContact O-N 2.78Å; M102-R104 VanDerWaalsContact C-N 3.34Å; M102-R104 PolarHBondContact O-N 3.36Å; M102-A105 PolarHBondContact O-N 3.45Å; M102-K106 WeakPolarHBondContact O-CG 3.34Å; M102-K106 PolarHBondContact O-N 2.97Å; M102-K106 HydrophobicContact SD-CG 4.41Å
103L96.4Very high94.6Very high1 Ų158 Ų581%0.00533%0.325CS..Hα-helixtrans-59-46.3177.3-178.355.4000111.4I19 K79 I81 L92 A94 V98 G99 L100 K106 M107I19-L103 HydrophobicContact CD1-CD1 3.7Å; K79-L103 HydrophobicContact CB-CD2 3.72Å; I81-L103 HydrophobicContact CB-CD2 4.18Å; I81-L103 HydrophobicContact CB-CG 4.14Å; I81-L103 HydrophobicContact CG2-CD1 3.56Å; I81-L103 HydrophobicContact CG2-CD2 3.89Å; I81-L103 HydrophobicContact CG2-CG 3.46Å; I81-L103 VanDerWaalsContact CG2-CG 3.46Å; L92-L103 HydrophobicContact CB-CD1 4.01Å; L92-L103 HydrophobicContact CD1-CD1 4.31Å; A94-L103 HydrophobicContact CB-CD1 3.77Å; A94-L103 HydrophobicContact CB-CD2 4.29Å; V98-L103 HydrophobicContact CG1-CB 4.13Å; G99-L103 PolarHBondContact O-N 3.22Å; L100-L103 PolarHBondContact O-N 3.27Å; L103-K106 PolarHBondContact O-N 3.28Å; L103-M107 PolarHBondContact O-N 2.86Å
104R96.9Very high94.3Very high120 Ų12057 Ų5745%0.45332%0.321SS..Hα-helixtrans-65.2-42.7176.7-166.6177.2-170.7-170.44.6112.5E70 I81 L100 M102 K106 M107 N108E70-R104 VanDerWaalsContact CD-NE 3.3Å; E70-R104 VanDerWaalsContact CD-NH2 3.27Å; E70-R104 IonicContact OE1-CZ 3.77Å; E70-R104 IonicContact OE1-NE 3.24Å; E70-R104 PolarHBondContact OE1-NE 3.36Å; E70-R104 IonicContact OE1-NH1 3.89Å; E70-R104 IonicContact OE1-NH2 3.14Å; E70-R104 PolarHBondContact OE1-NH2 2.85Å; E70-R104 IonicContact OE2-CZ 2.82Å; E70-R104 IonicContact OE2-NE 2.86Å; E70-R104 PolarHBondContact OE2-NE 2.86Å; E70-R104 IonicContact OE2-NH2 3.2Å; E70-R104 PolarHBondContact OE2-NH2 2.81Å; I81-R104 HydrophobicContact CD1-CB 4.28Å; I81-R104 HydrophobicContact CD1-CG 4.24Å; L100-R104 WeakPolarHBondContact O-CB 3.35Å; L100-R104 PolarHBondContact O-N 3.18Å; M102-R104 VanDerWaalsContact C-N 3.34Å; M102-R104 PolarHBondContact O-N 3.36Å; R104-K106 VanDerWaalsContact C-N 3.32Å; R104-K106 PolarHBondContact O-N 3.46Å; R104-M107 WeakPolarHBondContact O-CB 3.36Å; R104-M107 PolarHBondContact O-N 3.24Å; R104-N108 VanDerWaalsContact O-CG 3.29Å; R104-N108 PolarHBondContact O-N 3.42Å
105A95.6Very high94Very high55 Ų5560.7 Ų60.746%0.45534%0.337SS..Hα-helixtrans-59.7-42.4176.300000112G101 M102 N108 A109G101-A105 WeakPolarHBondContact O-CB 3.29Å; G101-A105 PolarHBondContact O-N 2.85Å; M102-A105 PolarHBondContact O-N 3.45Å; A105-N108 PolarHBondContact O-N 2.73Å; A105-A109 WeakPolarHBondContact O-CB 3.35Å; A105-A109 PolarHBondContact O-N 3.34Å
106K94.4Very high93.7Very high29 Ų2967 Ų6713%0.12637%0.365CS..Hα-helixtrans-65.7-41.4175-74.4-169.4173.1-145.30112.8M14 T16 I19 L92 M102 L103 R104 L110M14-K106 HydrophobicContact CE-CB 3.98Å; M14-K106 HydrophobicContact CE-CG 4.35Å; M14-K106 WeakPolarHBondContact CE-O 3.47Å; T16-K106 PolarHBondContact O-NZ 3.17Å; T16-K106 PolarHBondContact OG1-NZ 2.85Å; I19-K106 HydrophobicContact CD1-CD 4.05Å; I19-K106 HydrophobicContact CG1-CD 3.7Å; L92-K106 HydrophobicContact CD1-CB 4.15Å; M102-K106 WeakPolarHBondContact O-CG 3.34Å; M102-K106 PolarHBondContact O-N 2.97Å; M102-K106 HydrophobicContact SD-CG 4.41Å; L103-K106 PolarHBondContact O-N 3.28Å; R104-K106 VanDerWaalsContact C-N 3.32Å; R104-K106 PolarHBondContact O-N 3.46Å; K106-L110 WeakPolarHBondContact O-CB 3.49Å; K106-L110 PolarHBondContact O-N 3.4Å
107M95.9Very high93.2Very high1 Ų163 Ų631%0.00535%0.351CS..Hα-helixtrans-57.9-52.3174178.656.48900110.2I81 T83 L90 L92 L103 R104 A109 L110 V111I81-M107 HydrophobicContact CB-CE 4.34Å; I81-M107 HydrophobicContact CD1-CB 3.85Å; I81-M107 HydrophobicContact CD1-CG 3.98Å; I81-M107 HydrophobicContact CG1-CB 4.4Å; I81-M107 HydrophobicContact CG1-CE 4.11Å; I81-M107 HydrophobicContact CG1-CG 4.2Å; I81-M107 HydrophobicContact CG2-CB 4.2Å; I81-M107 HydrophobicContact CG2-CE 3.76Å; I81-M107 WeakPolarHBondContact O-CE 3.14Å; T83-M107 HydrophobicContact CG2-CE 4.03Å; T83-M107 HydrophobicContact CG2-CG 3.83Å; T83-M107 HydrophobicContact CG2-SD 3.47Å; T83-M107 WeakPolarHBondContact CG2-SD 3.35Å; L90-M107 HydrophobicContact CB-SD 4.45Å; L90-M107 HydrophobicContact CD2-CE 4.45Å; L90-M107 HydrophobicContact CD2-SD 3.48Å; L90-M107 WeakPolarHBondContact CD2-SD 3.11Å; L90-M107 HydrophobicContact CG-CE 4.05Å; L90-M107 HydrophobicContact CG-SD 3.74Å; L90-M107 WeakPolarHBondContact O-CE 3.48Å; L92-M107 HydrophobicContact CB-CE 4.33Å; L92-M107 HydrophobicContact CD1-CB 4Å; L92-M107 HydrophobicContact CD1-CE 4.35Å; L92-M107 HydrophobicContact CD1-SD 4.46Å; L92-M107 HydrophobicContact CG-CE 3.82Å; L92-M107 HydrophobicContact CG-SD 4.36Å; L103-M107 PolarHBondContact O-N 2.86Å; R104-M107 WeakPolarHBondContact O-CB 3.36Å; R104-M107 PolarHBondContact O-N 3.24Å; M107-A109 PolarHBondContact O-N 2.8Å; M107-L110 CarbonylContact O-C 3.52Å; M107-L110 WeakPolarHBondContact O-CA 3.44Å; M107-L110 WeakPolarHBondContact O-CB 3.43Å; M107-L110 PolarHBondContact O-N 2.98Å; M107-V111 HydrophobicContact CG-CG2 4.25Å; M107-V111 WeakPolarHBondContact O-CG2 3.23Å; M107-V111 PolarHBondContact O-N 2.86Å; M107-V111 HydrophobicContact SD-CG2 4.03Å
108N95.5Very high92.7Very high73 Ų7357.5 Ų57.539%0.3932%0.321SS..Hα-helixtrans-60.4-43-178.4-68.8-8.5000112.7R104 A105 L110 V111 Q112R104-N108 VanDerWaalsContact O-CG 3.29Å; R104-N108 PolarHBondContact O-N 3.42Å; A105-N108 PolarHBondContact O-N 2.73Å; N108-L110 VanDerWaalsContact C-N 3.26Å; N108-L110 PolarHBondContact O-N 2.9Å; N108-V111 PolarHBondContact O-N 3.44Å; N108-Q112 WeakPolarHBondContact O-CG 3.48Å; N108-Q112 PolarHBondContact O-N 3.19Å
109A92.8Very high92.2Very high37 Ų3759.2 Ų59.231%0.30633%0.334SS..Hα-helixtrans-60.2-38174.600000111.8A105 M107 N113A105-A109 WeakPolarHBondContact O-CB 3.35Å; A105-A109 PolarHBondContact O-N 3.34Å; M107-A109 PolarHBondContact O-N 2.8Å; A109-N113 PolarHBondContact O-N 3.22Å; A109-N113 PolarHBondContact O-ND2 2.99Å
110L91.6Very high91.4Very high4 Ų461.5 Ų61.52%0.02134%0.339CS..Hα-helixtrans-72.5-41.3178.2-170.356.1000112.2L11 M14 V22 L90 L92 K106 M107 N108 Q112 N113 L114L11-L110 HydrophobicContact CD2-CD1 4.27Å; L11-L110 HydrophobicContact CD2-CD2 4.26Å; M14-L110 HydrophobicContact CE-CB 4.25Å; M14-L110 HydrophobicContact CG-CD1 3.85Å; M14-L110 HydrophobicContact CG-CD2 4.17Å; M14-L110 HydrophobicContact CG-CG 4.48Å; M14-L110 HydrophobicContact SD-CD1 4.44Å; V22-L110 HydrophobicContact CG1-CD2 3.71Å; L90-L110 HydrophobicContact CD1-CD2 3.74Å; L90-L110 HydrophobicContact CD1-CG 4.48Å; L90-L110 HydrophobicContact CD2-CB 4.18Å; L90-L110 HydrophobicContact CD2-CD2 3.79Å; L90-L110 HydrophobicContact CD2-CG 3.79Å; L90-L110 HydrophobicContact CG-CD2 4.28Å; L92-L110 HydrophobicContact CD2-CD2 3.99Å; K106-L110 WeakPolarHBondContact O-CB 3.49Å; K106-L110 PolarHBondContact O-N 3.4Å; M107-L110 CarbonylContact O-C 3.52Å; M107-L110 WeakPolarHBondContact O-CA 3.44Å; M107-L110 WeakPolarHBondContact O-CB 3.43Å; M107-L110 PolarHBondContact O-N 2.98Å; N108-L110 VanDerWaalsContact C-N 3.26Å; N108-L110 PolarHBondContact O-N 2.9Å; L110-Q112 VanDerWaalsContact C-N 3.34Å; L110-Q112 PolarHBondContact O-N 2.67Å; L110-N113 PolarHBondContact O-N 3.41Å; L110-L114 HydrophobicContact CD1-CD1 3.71Å; L110-L114 HydrophobicContact CD1-CG 3.93Å; L110-L114 HydrophobicContact CD2-CD1 4.37Å; L110-L114 HydrophobicContact CG-CD1 3.71Å; L110-L114 HydrophobicContact CG-CG 4.27Å; L110-L114 WeakPolarHBondContact O-CB 3.5Å; L110-L114 VanDerWaalsContact O-CG 3.31Å; L110-L114 WeakPolarHBondContact O-CG 3.48Å; L110-L114 PolarHBondContact O-N 2.79Å
111V93Very high90.1Very high29 Ų2960.7 Ų60.718%0.17633%0.334CS..Hα-helixtrans-55.6-49.8173.3173.20000110.2T83 V85 L90 M107 N108 N113 L114 Q115T83-V111 HydrophobicContact CG2-CG2 3.58Å; V85-V111 HydrophobicContact CG2-CB 4.29Å; V85-V111 HydrophobicContact CG2-CG1 4.16Å; V85-V111 HydrophobicContact CG2-CG2 3.77Å; L90-V111 HydrophobicContact CD2-CG2 4.15Å; M107-V111 HydrophobicContact CG-CG2 4.25Å; M107-V111 WeakPolarHBondContact O-CG2 3.23Å; M107-V111 PolarHBondContact O-N 2.86Å; M107-V111 HydrophobicContact SD-CG2 4.03Å; N108-V111 PolarHBondContact O-N 3.44Å; V111-N113 VanDerWaalsContact C-N 3.29Å; V111-N113 PolarHBondContact O-N 3.19Å; V111-L114 PolarHBondContact O-N 3Å; V111-L114 VanDerWaalsContact O-N 3.1Å; V111-Q115 VanDerWaalsContact O-CB 3.31Å; V111-Q115 WeakPolarHBondContact O-CB 3.42Å; V111-Q115 PolarHBondContact O-N 2.65Å
112Q91.4Very high88.5Confident156 Ų15660.1 Ų60.173%0.72932%0.324SS*.Hα-helixtrans-57.4-40.6178.9-74175.8-10.100112.7N108 L110N108-Q112 WeakPolarHBondContact O-CG 3.48Å; N108-Q112 PolarHBondContact O-N 3.19Å; L110-Q112 VanDerWaalsContact C-N 3.34Å; L110-Q112 PolarHBondContact O-N 2.67Å
113N87.6Confident86.4Confident113 Ų11359.4 Ų59.460%0.60434%0.335SS*.Hα-helixtrans-74.5-24.6179.2-75.4-57.1000113.8A109 L110 V111A109-N113 PolarHBondContact O-N 3.22Å; A109-N113 PolarHBondContact O-ND2 2.99Å; L110-N113 PolarHBondContact O-N 3.41Å; V111-N113 VanDerWaalsContact C-N 3.29Å; V111-N113 PolarHBondContact O-N 3.19Å
114L88.7Confident83.8Confident4 Ų466.2 Ų66.22%0.02138%0.383CS..Hα-helixtrans-104.7-19.7-173.6-66.1-177.4000113.9L7 L11 L24 V85 L90 L110 V111 E116 P117 L118L7-L114 HydrophobicContact CD1-CD2 3.68Å; L11-L114 HydrophobicContact CD2-CD1 3.95Å; L24-L114 HydrophobicContact CD1-CD1 4.39Å; L24-L114 HydrophobicContact CD2-CD1 4.49Å; V85-L114 HydrophobicContact CG1-CB 4.18Å; L90-L114 HydrophobicContact CD1-CD1 4.49Å; L90-L114 HydrophobicContact CD2-CD1 4.32Å; L110-L114 HydrophobicContact CD1-CD1 3.71Å; L110-L114 HydrophobicContact CD1-CG 3.93Å; L110-L114 HydrophobicContact CD2-CD1 4.37Å; L110-L114 HydrophobicContact CG-CD1 3.71Å; L110-L114 HydrophobicContact CG-CG 4.27Å; L110-L114 WeakPolarHBondContact O-CB 3.5Å; L110-L114 VanDerWaalsContact O-CG 3.31Å; L110-L114 WeakPolarHBondContact O-CG 3.48Å; L110-L114 PolarHBondContact O-N 2.79Å; V111-L114 PolarHBondContact O-N 3Å; V111-L114 VanDerWaalsContact O-N 3.1Å; L114-E116 PolarHBondContact O-N 3.12Å; L114-P117 WeakPolarHBondContact O-CD 3.34Å; L114-L118 HydrophobicContact CB-CD1 3.81Å; L114-L118 HydrophobicContact CB-CG 4.24Å; L114-L118 HydrophobicContact CD1-CD1 4.37Å; L114-L118 VanDerWaalsContact O-CB 3.29Å; L114-L118 WeakPolarHBondContact O-CB 3.47Å; L114-L118 VanDerWaalsContact O-CG 3.28Å; L114-L118 WeakPolarHBondContact O-CG 3.46Å; L114-L118 PolarHBondContact O-N 2.73Å
115Q89.7Confident83.1Confident76 Ų7663.6 Ų63.636%0.35538%0.38SS..Hα-helixtrans-54.1-56.8-173.1-178.462.234.200112.3V85 V111 S119V85-Q115 HydrophobicContact CG1-CB 4.38Å; V111-Q115 VanDerWaalsContact O-CB 3.31Å; V111-Q115 WeakPolarHBondContact O-CB 3.42Å; V111-Q115 PolarHBondContact O-N 2.65Å; Q115-S119 PolarHBondContact NE2-OG 3.2Å; Q115-S119 WeakPolarHBondContact O-CB 3.41Å; Q115-S119 PolarHBondContact O-N 2.9Å; Q115-S119 PolarHBondContact O-OG 3.44Å
116E87.2Confident82.5Confident154 Ų15464 Ų6472%0.7238%0.376SS*.Hα-helixtrans-65.6-51.2-179.9173.4-178-164.400111.9L114 L118 S119 V120L114-E116 PolarHBondContact O-N 3.12Å; E116-L118 VanDerWaalsContact C-N 3.3Å; E116-L118 PolarHBondContact O-N 3.34Å; E116-S119 PolarHBondContact O-N 3.29Å; E116-S119 VanDerWaalsContact O-N 3.17Å; E116-V120 PolarHBondContact O-N 2.95Å
117P84.4Confident81.8Confident34 Ų3465.9 Ų65.922%0.22139%0.39CS..Hα-helixtrans-54.1-40.4177-32.536.8000116L2 L114 I121L2-P117 HydrophobicContact CD1-CB 3.54Å; L2-P117 HydrophobicContact CD1-CG 3.88Å; L2-P117 HydrophobicContact CG-CB 4.41Å; L114-P117 WeakPolarHBondContact O-CD 3.34Å; P117-I121 WeakPolarHBondContact O-CG1 3.32Å
118L86.2Confident81Confident15 Ų1569.8 Ų69.88%0.07941%0.413CS..Hα-helixtrans-79.2-29.9-178.6-65.9179.1000111.8L24 V85 A86 V88 L114 E116 V120 I121 A122L24-L118 HydrophobicContact CD2-CD1 4.15Å; V85-L118 HydrophobicContact CB-CD1 4.22Å; V85-L118 HydrophobicContact CG1-CD1 3.86Å; A86-L118 HydrophobicContact CB-CB 4.15Å; V88-L118 HydrophobicContact CG2-CD1 3.77Å; L114-L118 HydrophobicContact CB-CD1 3.81Å; L114-L118 HydrophobicContact CB-CG 4.24Å; L114-L118 HydrophobicContact CD1-CD1 4.37Å; L114-L118 VanDerWaalsContact O-CB 3.29Å; L114-L118 WeakPolarHBondContact O-CB 3.47Å; L114-L118 VanDerWaalsContact O-CG 3.28Å; L114-L118 WeakPolarHBondContact O-CG 3.46Å; L114-L118 PolarHBondContact O-N 2.73Å; E116-L118 VanDerWaalsContact C-N 3.3Å; E116-L118 PolarHBondContact O-N 3.34Å; L118-V120 VanDerWaalsContact C-N 3.29Å; L118-V120 PolarHBondContact O-N 3.14Å; L118-I121 HydrophobicContact CD2-CD1 4.41Å; L118-I121 PolarHBondContact O-N 3.33Å; L118-A122 WeakPolarHBondContact O-CB 3.47Å; L118-A122 PolarHBondContact O-N 3.47Å
119S85.7Confident80.1Confident47 Ų4769.6 Ų69.633%0.32941%0.414SS..Hα-helixtrans-62.5-37.8175-61.60000111.9Q115 E116 I121 A123Q115-S119 PolarHBondContact NE2-OG 3.2Å; Q115-S119 WeakPolarHBondContact O-CB 3.41Å; Q115-S119 PolarHBondContact O-N 2.9Å; Q115-S119 PolarHBondContact O-OG 3.44Å; E116-S119 PolarHBondContact O-N 3.29Å; E116-S119 VanDerWaalsContact O-N 3.17Å; S119-I121 VanDerWaalsContact C-N 3.34Å; S119-A123 PolarHBondContact O-N 2.99Å
120V78.3Confident79.2Confident89 Ų8971.7 Ų71.754%0.53942%0.421SS..Hα-helixtrans-68-34.5177179.20000111.9E116 L118 S124E116-V120 PolarHBondContact O-N 2.95Å; L118-V120 VanDerWaalsContact C-N 3.29Å; L118-V120 PolarHBondContact O-N 3.14Å; V120-S124 PolarHBondContact O-OG 3.3Å
121I69.6Low78.3Confident72 Ų7276.6 Ų76.637%0.36945%0.45SS..Hα-helixtrans-76.5-38179.8-63.3168.9000110.9L2 P117 L118 S119 A123 S124L2-I121 HydrophobicContact CB-CD1 4.1Å; P117-I121 WeakPolarHBondContact O-CG1 3.32Å; L118-I121 HydrophobicContact CD2-CD1 4.41Å; L118-I121 PolarHBondContact O-N 3.33Å; S119-I121 VanDerWaalsContact C-N 3.34Å; I121-A123 PolarHBondContact O-N 2.92Å; I121-S124 PolarHBondContact O-N 3.04Å
122A61.5Low77.2Confident46 Ų4680.2 Ų80.238%0.3847%0.471SS..Hα-helixtrans-65-24.3178.200000113.8S87 L118 S124S87-A122 WeakPolarHBondContact OG-CB 3.33Å; L118-A122 WeakPolarHBondContact O-CB 3.47Å; L118-A122 PolarHBondContact O-N 3.47Å; A122-S124 VanDerWaalsContact C-N 3.35Å
123A51.4Low76Confident92 Ų9273.9 Ų73.976%0.7645%0.449SS*.THydrogen-bonded Turntrans-87.7-0179.300000113.9S119 I121S119-A123 PolarHBondContact O-N 2.99Å; I121-A123 PolarHBondContact O-N 2.92Å
124S41.8Very low75Confident145 Ų14570.4 Ų70.4100%1.01444%0.435SS*.  trans-102.10179.4-50.40000111V120 I121 A122V120-S124 PolarHBondContact O-OG 3.3Å; I121-S124 PolarHBondContact O-N 3.04Å; A122-S124 VanDerWaalsContact C-N 3.35Å

Retrieved 124 of 124 residues in 40.5 ms (Link to these results)

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