A0A093HSB8_STRCA Loading...

Pleckstrin homology domain-containing family F member 2

May play a role in early endosome fusion upstream of RAB5, hence regulating receptor trafficking and fluid-phase transport. Enhances cellular sensitivity to TNF-induced apoptosis.

AlphaFold DB , UniProt , Accession A0A093HSB8, Species STRCA (Struthio camelus australis), Gene n/a, Length 249 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
1M54.5Low73.3Confident191 Ų19193.2 Ų93.294%0.94148%0.476SS*.  0-470-166-179.7-8000111.1D3 R4M1-D3 VanDerWaalsContact C-N 3.34Å; M1-D3 PolarHBondContact O-N 3.39Å; M1-R4 PolarHBondContact O-N 3.13Å
2V59.6Low74.9Confident37 Ų3791.1 Ų91.122%0.22447%0.471CS..Hα-helixtrans-59.3-39.5175.6-177.90000112.7R4 L5 A6 V35 I37 N59V2-R4 VanDerWaalsContact C-N 3.27Å; V2-R4 PolarHBondContact O-N 3.42Å; V2-L5 PolarHBondContact O-N 3.02Å; V2-A6 PolarHBondContact O-N 3.4Å; V2-V35 HydrophobicContact CG1-CB 4.03Å; V2-V35 HydrophobicContact CG1-CG1 4.39Å; V2-V35 HydrophobicContact CG1-CG2 3.5Å; V2-I37 HydrophobicContact CG2-CD1 4.42Å; V2-N59 HydrophobicContact CG1-CB 4.37Å
3D58.9Low76.4Confident114 Ų11496.5 Ų96.561%0.6148%0.481SS*.Hα-helixtrans-65.1-27.7-177.5-46.9-59.6000113.7M1 L5 K136M1-D3 VanDerWaalsContact C-N 3.34Å; M1-D3 PolarHBondContact O-N 3.39Å; D3-L5 VanDerWaalsContact C-N 3.34Å; D3-K136 IonicContact OD1-NZ 3.78Å
4R62Low77.7Confident231 Ų23196.7 Ų96.787%0.87247%0.474SS*.Hα-helixtrans-74.6-25.5173.7-77-171.8172.8176.4-2.2112.7M1 V2M1-R4 PolarHBondContact O-N 3.13Å; V2-R4 VanDerWaalsContact C-N 3.27Å; V2-R4 PolarHBondContact O-N 3.42Å
5L69.4Low79Confident82 Ų8290.5 Ų90.543%0.42944%0.443SS..Hα-helixtrans-90.9-27.1-177.1-67.9171000112.4V2 D3 N7 S8 N11 V35V2-L5 PolarHBondContact O-N 3.02Å; D3-L5 VanDerWaalsContact C-N 3.34Å; L5-N7 PolarHBondContact O-N 3.25Å; L5-N7 VanDerWaalsContact O-N 3.11Å; L5-S8 WeakPolarHBondContact O-CB 3.43Å; L5-S8 PolarHBondContact O-N 3.25Å; L5-S8 PolarHBondContact O-OG 3.01Å; L5-N11 WeakPolarHBondContact O-CB 3.31Å; L5-V35 HydrophobicContact CB-CG1 4.12Å
6A70.4Confident80Confident11 Ų1187.7 Ų87.79%0.09144%0.436CS..THydrogen-bonded Turntrans-57.5-32.3-169.400000114.6V2 N11 V35V2-A6 PolarHBondContact O-N 3.4Å; A6-N11 PolarHBondContact O-ND2 2.88Å; A6-V35 VanDerWaalsContact CA-CG2 3.45Å; A6-V35 HydrophobicContact CB-CG2 3.46Å; A6-V35 VanDerWaalsContact CB-CG2 3.46Å
7N73.8Confident80.9Confident127 Ų12788.9 Ų88.968%0.67944%0.443SS*.THydrogen-bonded Turntrans-114.317.2179.6-56.3-44000112.7L5L5-N7 PolarHBondContact O-N 3.25Å; L5-N7 VanDerWaalsContact O-N 3.11Å
8S85.4Confident81.7Confident31 Ų3184.2 Ų84.222%0.21742%0.419CS..  trans-75.8140.5175.168.20000110.5L5 A10 N11 T12L5-S8 WeakPolarHBondContact O-CB 3.43Å; L5-S8 PolarHBondContact O-N 3.25Å; L5-S8 PolarHBondContact O-OG 3.01Å; S8-A10 PolarHBondContact O-N 2.98Å; S8-A10 VanDerWaalsContact O-N 3.16Å; S8-N11 WeakPolarHBondContact O-CB 3.38Å; S8-N11 PolarHBondContact O-N 2.78Å; S8-N11 VanDerWaalsContact OG-CB 3.3Å; S8-N11 WeakPolarHBondContact OG-CB 3.45Å; S8-N11 PolarHBondContact OG-N 3.33Å; S8-N11 VanDerWaalsContact OG-N 3.15Å; S8-T12 PolarHBondContact O-N 3.1Å; S8-T12 VanDerWaalsContact O-N 3.09Å; S8-T12 PolarHBondContact O-OG1 2.91Å
9E87.5Confident82.5Confident134 Ų13481.7 Ų81.763%0.62641%0.407SS*.Hα-helixtrans-54.7-35.1173.3-68.2-171.1-174.300112.1T12 R13E9-T12 PolarHBondContact O-N 2.93Å; E9-R13 WeakPolarHBondContact O-CB 3.36Å; E9-R13 VanDerWaalsContact O-CG 3.26Å; E9-R13 WeakPolarHBondContact O-CG 3.31Å; E9-R13 PolarHBondContact O-N 3.13Å; E9-R13 IonicContact OE2-CZ 3.42Å; E9-R13 IonicContact OE2-NH2 2.77Å; E9-R13 PolarHBondContact OE2-NH2 2.77Å
10A91Very high83.1Confident63 Ų6383.5 Ų83.552%0.52142%0.417SS..Hα-helixtrans-61.7-42.5177.100000111.9S8 R14S8-A10 PolarHBondContact O-N 2.98Å; S8-A10 VanDerWaalsContact O-N 3.16Å; A10-R14 WeakPolarHBondContact O-CD 3.48Å; A10-R14 VanDerWaalsContact O-CG 3.23Å; A10-R14 WeakPolarHBondContact O-CG 3.45Å; A10-R14 PolarHBondContact O-N 3.13Å; A10-R14 VanDerWaalsContact O-N 3.1Å
11N93.5Very high83.8Confident4 Ų480.1 Ų80.12%0.02140%0.402CS..Hα-helixtrans-64.5-50.2174.6-179.560.3000110.8L5 A6 S8 R13 R14 I15 R34 V35 L36L5-N11 WeakPolarHBondContact O-CB 3.31Å; A6-N11 PolarHBondContact O-ND2 2.88Å; S8-N11 WeakPolarHBondContact O-CB 3.38Å; S8-N11 PolarHBondContact O-N 2.78Å; S8-N11 VanDerWaalsContact OG-CB 3.3Å; S8-N11 WeakPolarHBondContact OG-CB 3.45Å; S8-N11 PolarHBondContact OG-N 3.33Å; S8-N11 VanDerWaalsContact OG-N 3.15Å; N11-R13 VanDerWaalsContact C-N 3.31Å; N11-R13 PolarHBondContact O-N 2.87Å; N11-R14 WeakPolarHBondContact O-CB 3.45Å; N11-R14 PolarHBondContact O-N 2.95Å; N11-I15 WeakPolarHBondContact O-CG1 3.31Å; N11-I15 PolarHBondContact O-N 2.98Å; N11-R34 PolarHBondContact ND2-O 2.85Å; N11-V35 WeakPolarHBondContact OD1-CA 3.22Å; N11-L36 PolarHBondContact OD1-N 3.39Å
12T92.6Very high85.8Confident68 Ų6871.6 Ų71.642%0.41736%0.36SS..Hα-helixtrans-55.4-44.8178.8-53.20000112.1S8 E9 R14 I15 S16S8-T12 PolarHBondContact O-N 3.1Å; S8-T12 VanDerWaalsContact O-N 3.09Å; S8-T12 PolarHBondContact O-OG1 2.91Å; E9-T12 PolarHBondContact O-N 2.93Å; T12-R14 PolarHBondContact O-N 3.42Å; T12-I15 PolarHBondContact O-N 3.46Å; T12-S16 WeakPolarHBondContact O-CB 3.41Å; T12-S16 PolarHBondContact O-N 3.48Å
13R94.1Very high87.3Confident161 Ų16171.7 Ų71.761%0.60837%0.368SS*.Hα-helixtrans-61.3-43.9175.8-70.6176.2-153.9-135.28.5112E9 N11 S16 I17E9-R13 WeakPolarHBondContact O-CB 3.36Å; E9-R13 VanDerWaalsContact O-CG 3.26Å; E9-R13 WeakPolarHBondContact O-CG 3.31Å; E9-R13 PolarHBondContact O-N 3.13Å; E9-R13 IonicContact OE2-CZ 3.42Å; E9-R13 IonicContact OE2-NH2 2.77Å; E9-R13 PolarHBondContact OE2-NH2 2.77Å; N11-R13 VanDerWaalsContact C-N 3.31Å; N11-R13 PolarHBondContact O-N 2.87Å; R13-S16 PolarHBondContact O-N 2.91Å; R13-I17 VanDerWaalsContact O-CG1 3.31Å; R13-I17 WeakPolarHBondContact O-CG1 3.41Å; R13-I17 PolarHBondContact O-N 3.44Å
14R95.6Very high88.7Confident100 Ų10071.7 Ų71.738%0.37738%0.384SS..Hα-helixtrans-61.3-44.1177.6-73167.868-142.3-1.8111.9A10 N11 T12 I17 V18 L36A10-R14 WeakPolarHBondContact O-CD 3.48Å; A10-R14 VanDerWaalsContact O-CG 3.23Å; A10-R14 WeakPolarHBondContact O-CG 3.45Å; A10-R14 PolarHBondContact O-N 3.13Å; A10-R14 VanDerWaalsContact O-N 3.1Å; N11-R14 WeakPolarHBondContact O-CB 3.45Å; N11-R14 PolarHBondContact O-N 2.95Å; T12-R14 PolarHBondContact O-N 3.42Å; R14-I17 PolarHBondContact O-N 2.93Å; R14-V18 WeakPolarHBondContact O-CG2 3.39Å; R14-V18 PolarHBondContact O-N 3.4Å; R14-L36 HydrophobicContact CB-CD2 4.07Å; R14-L36 PolarHBondContact NH1-O 3.4Å; R14-L36 VanDerWaalsContact NH1-O 3.09Å; R14-L36 PolarHBondContact NH2-O 2.92Å
15I96.3Very high90Very high3 Ų365.4 Ų65.42%0.01538%0.381CS..Hα-helixtrans-65-44.1178.3-57.3-174.6000110.9N11 T12 I17 V18 E19 L29 T30 R34 L36 F58N11-I15 WeakPolarHBondContact O-CG1 3.31Å; N11-I15 PolarHBondContact O-N 2.98Å; T12-I15 PolarHBondContact O-N 3.46Å; I15-I17 VanDerWaalsContact C-N 3.29Å; I15-I17 PolarHBondContact O-N 3.15Å; I15-V18 WeakPolarHBondContact O-CB 3.39Å; I15-V18 PolarHBondContact O-N 3.01Å; I15-E19 PolarHBondContact O-N 3.4Å; I15-L29 HydrophobicContact CG2-CB 3.9Å; I15-T30 WeakPolarHBondContact CG2-OG1 3.23Å; I15-R34 HydrophobicContact CD1-CB 4.46Å; I15-R34 HydrophobicContact CD1-CG 4.21Å; I15-R34 WeakPolarHBondContact CD1-O 3.46Å; I15-L36 HydrophobicContact CG1-CB 4.2Å; I15-F58 HydrophobicContact CB-CE1 4.44Å; I15-F58 HydrophobicContact CD1-CD1 4.35Å; I15-F58 HydrophobicContact CD1-CE1 4.09Å; I15-F58 HydrophobicContact CG1-CE1 3.89Å; I15-F58 HydrophobicContact CG2-CE1 4Å
16S95.1Very high91Very high46 Ų4662.4 Ų62.432%0.32237%0.37SS..Hα-helixtrans-60.5-37.7177.6-178.20000112.4T12 R13 V18 E19 N20T12-S16 WeakPolarHBondContact O-CB 3.41Å; T12-S16 PolarHBondContact O-N 3.48Å; R13-S16 PolarHBondContact O-N 2.91Å; S16-V18 VanDerWaalsContact C-N 3.32Å; S16-V18 PolarHBondContact O-N 3.14Å; S16-E19 PolarHBondContact O-N 2.93Å; S16-N20 WeakPolarHBondContact O-CB 3.38Å; S16-N20 PolarHBondContact O-N 3.25Å; S16-N20 PolarHBondContact O-ND2 2.87Å
17I95.1Very high92.2Very high108 Ų10867.9 Ų67.955%0.55439%0.393SS*.Hα-helixtrans-59.6-44173.3-69.7163.7000110.9R13 R14 I15 N20 C21R13-I17 VanDerWaalsContact O-CG1 3.31Å; R13-I17 WeakPolarHBondContact O-CG1 3.41Å; R13-I17 PolarHBondContact O-N 3.44Å; R14-I17 PolarHBondContact O-N 2.93Å; I15-I17 VanDerWaalsContact C-N 3.29Å; I15-I17 PolarHBondContact O-N 3.15Å; I17-N20 PolarHBondContact O-N 3.2Å; I17-C21 PolarHBondContact O-N 2.93Å; I17-C21 VanDerWaalsContact O-N 3.12Å; I17-C21 PolarHBondContact O-SG 3.46Å; I17-C21 VanDerWaalsContact O-SG 3.33Å
18V96.4Very high93.2Very high4 Ų466.2 Ų66.22%0.02439%0.39CS..Hα-helixtrans-62.9-47178179.10000111.3R14 I15 S16 N20 C21 F22 L29 L36 F56 F58R14-V18 WeakPolarHBondContact O-CG2 3.39Å; R14-V18 PolarHBondContact O-N 3.4Å; I15-V18 WeakPolarHBondContact O-CB 3.39Å; I15-V18 PolarHBondContact O-N 3.01Å; S16-V18 VanDerWaalsContact C-N 3.32Å; S16-V18 PolarHBondContact O-N 3.14Å; V18-N20 VanDerWaalsContact C-N 3.34Å; V18-N20 PolarHBondContact O-N 2.71Å; V18-C21 WeakPolarHBondContact O-CB 3.21Å; V18-C21 PolarHBondContact O-N 3Å; V18-F22 HydrophobicContact CG1-CD2 4.45Å; V18-F22 HydrophobicContact CG1-CE2 4.1Å; V18-F22 WeakPolarHBondContact O-CD2 3.5Å; V18-L29 HydrophobicContact CB-CD1 4.39Å; V18-L29 HydrophobicContact CG1-CD1 3.67Å; V18-L36 HydrophobicContact CG2-CD2 4.03Å; V18-F56 HydrophobicContact CB-CD1 4.35Å; V18-F56 HydrophobicContact CB-CE1 4.21Å; V18-F56 HydrophobicContact CG1-CD1 3.69Å; V18-F56 HydrophobicContact CG1-CD2 3.87Å; V18-F56 HydrophobicContact CG1-CE1 3.66Å; V18-F56 HydrophobicContact CG1-CE2 3.84Å; V18-F56 HydrophobicContact CG1-CG 3.79Å; V18-F56 HydrophobicContact CG1-CZ 3.72Å; V18-F56 HydrophobicContact CG2-CD1 3.62Å; V18-F56 HydrophobicContact CG2-CE1 3.56Å; V18-F56 HydrophobicContact CG2-CG 4.47Å; V18-F56 HydrophobicContact CG2-CZ 4.35Å; V18-F58 HydrophobicContact CG1-CZ 4.41Å
19E95.6Very high93.6Very high38 Ų3864.7 Ų64.718%0.17838%0.379CS..Hα-helixtrans-56.1-48.6175.2-76174.3125.300111.7I15 S16 C21 F22 G23 P28 L29 T30I15-E19 PolarHBondContact O-N 3.4Å; S16-E19 PolarHBondContact O-N 2.93Å; E19-C21 PolarHBondContact O-N 3.28Å; E19-F22 PolarHBondContact O-N 2.83Å; E19-G23 PolarHBondContact O-N 3.49Å; E19-G23 VanDerWaalsContact O-N 3.1Å; E19-P28 WeakPolarHBondContact OE1-CA 3.22Å; E19-L29 HydrophobicContact CG-CB 3.62Å; E19-L29 HydrophobicContact CG-CD1 4.18Å; E19-L29 HydrophobicContact CG-CG 3.86Å; E19-L29 PolarHBondContact OE1-N 2.98Å; E19-T30 VanDerWaalsContact CD-N 3.34Å; E19-T30 PolarHBondContact OE1-N 3.29Å; E19-T30 WeakPolarHBondContact OE2-CB 3.24Å; E19-T30 PolarHBondContact OE2-OG1 3.43Å
20N95.6Very high93.9Very high116 Ų11661.3 Ų61.362%0.6237%0.368SS*.Hα-helixtrans-60.9-31.8-178.8-71.6-29.1000112.3S16 I17 V18 F22 G23S16-N20 WeakPolarHBondContact O-CB 3.38Å; S16-N20 PolarHBondContact O-N 3.25Å; S16-N20 PolarHBondContact O-ND2 2.87Å; I17-N20 PolarHBondContact O-N 3.2Å; V18-N20 VanDerWaalsContact C-N 3.34Å; V18-N20 PolarHBondContact O-N 2.71Å; N20-F22 VanDerWaalsContact C-N 3.29Å; N20-F22 PolarHBondContact O-N 3.39Å; N20-G23 PolarHBondContact O-N 3.05Å
21C96.6Very high93.9Very high14 Ų1461.8 Ų61.810%0.09536%0.361CS..Hα-helixtrans-66.7-27.7174.6-69.30000113.2I17 V18 E19 K73 Y74I17-C21 PolarHBondContact O-N 2.93Å; I17-C21 VanDerWaalsContact O-N 3.12Å; I17-C21 PolarHBondContact O-SG 3.46Å; I17-C21 VanDerWaalsContact O-SG 3.33Å; V18-C21 WeakPolarHBondContact O-CB 3.21Å; V18-C21 PolarHBondContact O-N 3Å; E19-C21 PolarHBondContact O-N 3.28Å; C21-K73 CarbonylContact O-C 3.56Å; C21-K73 WeakPolarHBondContact O-CA 3.31Å; C21-Y74 HydrophobicContact CB-CD2 3.31Å; C21-Y74 HydrophobicContact CB-CE2 3.46Å; C21-Y74 VanDerWaalsContact CB-CE2 3.46Å; C21-Y74 HydrophobicContact CB-CG 4.27Å; C21-Y74 PolarHBondContact O-N 2.99Å
22F96.6Very high93.7Very high12 Ų1267.7 Ų67.75%0.05340%0.399CS..Hα-helixtrans-83.3-22.7172.3-71.6-76.7000112.7V18 E19 N20 F56 V63 Y74 Q77V18-F22 HydrophobicContact CG1-CD2 4.45Å; V18-F22 HydrophobicContact CG1-CE2 4.1Å; V18-F22 WeakPolarHBondContact O-CD2 3.5Å; E19-F22 PolarHBondContact O-N 2.83Å; N20-F22 VanDerWaalsContact C-N 3.29Å; N20-F22 PolarHBondContact O-N 3.39Å; F22-F56 HydrophobicContact CE2-CD2 4.26Å; F22-F56 AromaticContact CE2-CE2 3.79Å; F22-F56 HydrophobicContact CE2-CE2 3.79Å; F22-F56 HydrophobicContact CZ-CD2 4.46Å; F22-F56 AromaticContact CZ-CE2 3.96Å; F22-F56 HydrophobicContact CZ-CE2 3.96Å; F22-V63 HydrophobicContact CE2-CG1 4.14Å; F22-V63 HydrophobicContact CZ-CG1 4.14Å; F22-Y74 HydrophobicContact CE2-CD2 4.37Å; F22-Y74 HydrophobicContact CZ-CD2 4.38Å; F22-Q77 HydrophobicContact CD1-CB 3.62Å; F22-Q77 HydrophobicContact CD1-CG 3.88Å; F22-Q77 HydrophobicContact CD2-CG 4.26Å; F22-Q77 HydrophobicContact CE1-CB 3.68Å; F22-Q77 HydrophobicContact CE1-CG 3.77Å; F22-Q77 HydrophobicContact CE2-CG 4.18Å; F22-Q77 HydrophobicContact CG-CB 4.23Å; F22-Q77 HydrophobicContact CG-CG 4.12Å; F22-Q77 HydrophobicContact CZ-CB 4.36Å; F22-Q77 HydrophobicContact CZ-CG 3.93Å
23G92Very high93.6Very high39 Ų3966.1 Ų66.140%0.40240%0.397SS..G310 helixtrans64.5-160.117900000112.8E19 N20 A25 G26E19-G23 PolarHBondContact O-N 3.49Å; E19-G23 VanDerWaalsContact O-N 3.1Å; N20-G23 PolarHBondContact O-N 3.05Å; G23-A25 PolarHBondContact O-N 3.2Å; G23-A25 VanDerWaalsContact O-N 3.1Å; G23-G26 PolarHBondContact O-N 2.84Å
24A89.3Confident93.6Very high114 Ų11459.6 Ų59.694%0.94237%0.372SS*.G310 helixtrans-64.3-16.4-174.600000115G26A24-G26 VanDerWaalsContact C-N 3.33Å
25A88.2Confident93.6Very high99 Ų9954.9 Ų54.982%0.81836%0.355SS*.G310 helixtrans-83.7-10.4175.700000113G23G23-A25 PolarHBondContact O-N 3.2Å; G23-A25 VanDerWaalsContact O-N 3.1Å
26G91Very high93.7Very high18 Ų1855 Ų5519%0.18636%0.355CS..SBendtrans-86.7154.7175.900000112.5G23 A24G23-G26 PolarHBondContact O-N 2.84Å; A24-G26 VanDerWaalsContact C-N 3.33Å
27Q94.4Very high93.8Very high126 Ų12655 Ų5559%0.58935%0.351SS*.PPolyproline II helixtrans-81147167.1-63-62.6-41.900110.7L29 Q77 I79Q27-L29 PolarHBondContact O-N 3.28Å; Q27-Q77 PolarHBondContact O-NE2 3.22Å; Q27-I79 HydrophobicContact CB-CD1 3.85Å
28P94.6Very high93.8Very high92 Ų9250.8 Ų50.860%0.59733%0.334SS*.PPolyproline II helixtrans-58.5134.4174.4-23.933.9000112.7E19E19-P28 WeakPolarHBondContact OE1-CA 3.22Å
29L95.6Very high93.9Very high0 Ų056 Ų560%036%0.358CS..  trans-107.8-18.6173.6-52.7176.5000112.2I15 V18 E19 Q27 I31 R34 F58 I61 V63 I79I15-L29 HydrophobicContact CG2-CB 3.9Å; V18-L29 HydrophobicContact CB-CD1 4.39Å; V18-L29 HydrophobicContact CG1-CD1 3.67Å; E19-L29 HydrophobicContact CG-CB 3.62Å; E19-L29 HydrophobicContact CG-CD1 4.18Å; E19-L29 HydrophobicContact CG-CG 3.86Å; E19-L29 PolarHBondContact OE1-N 2.98Å; Q27-L29 PolarHBondContact O-N 3.28Å; L29-I31 PolarHBondContact O-N 2.79Å; L29-I31 VanDerWaalsContact O-N 3.15Å; L29-R34 VanDerWaalsContact O-CD 3.24Å; L29-R34 WeakPolarHBondContact O-CD 3.43Å; L29-R34 PolarHBondContact O-NH1 3.38Å; L29-F58 HydrophobicContact CB-CZ 4.33Å; L29-F58 HydrophobicContact CD1-CE2 4.17Å; L29-F58 HydrophobicContact CD1-CZ 3.89Å; L29-I61 HydrophobicContact CD2-CD1 3.99Å; L29-V63 HydrophobicContact CD2-CG2 3.96Å; L29-I79 HydrophobicContact CD2-CD1 3.73Å; L29-I79 HydrophobicContact CD2-CG1 4.33Å
30T92.3Very high94Very high63 Ų6355 Ų5539%0.38736%0.359SS..  trans-76.3105.3178.9-66.70000110.5I15 E19I15-T30 WeakPolarHBondContact CG2-OG1 3.23Å; E19-T30 VanDerWaalsContact CD-N 3.34Å; E19-T30 PolarHBondContact OE1-N 3.29Å; E19-T30 WeakPolarHBondContact OE2-CB 3.24Å; E19-T30 PolarHBondContact OE2-OG1 3.43Å
31I90.8Very high94.1Very high73 Ų7352.2 Ų52.237%0.37435%0.346SS..  trans-132.6152.3170.968168.1000110.4L29 G33 R34L29-I31 PolarHBondContact O-N 2.79Å; L29-I31 VanDerWaalsContact O-N 3.15Å; I31-G33 PolarHBondContact O-N 2.93Å; I31-R34 HydrophobicContact CD1-CB 4.2Å; I31-R34 HydrophobicContact CG1-CB 3.48Å; I31-R34 VanDerWaalsContact CG1-CB 3.48Å; I31-R34 HydrophobicContact CG1-CG 4.41Å; I31-R34 VanDerWaalsContact CG1-CZ 3.48Å; I31-R34 PolarHBondContact O-N 3.13Å
32P89.8Confident94.2Very high128 Ų12851.6 Ų51.683%0.83134%0.342SS*.THydrogen-bonded Turntrans-56135.9174.8-25.435.2000112.3R34P32-R34 VanDerWaalsContact C-N 3.26Å; P32-R34 PolarHBondContact O-N 2.85Å
33G90.7Very high94.2Very high35 Ų3553.8 Ų53.836%0.36136%0.356SS..THydrogen-bonded Turntrans80.6-8.8177.900000115.9I31 N59I31-G33 PolarHBondContact O-N 2.93Å; G33-N59 PolarHBondContact O-ND2 3.21Å
34R94.8Very high94.4Very high23 Ų2352.5 Ų52.59%0.08734%0.339CS..  trans-78.8136175.8-179.6174-68.9152.3-3.5111.3N11 I15 L29 I31 P32 F58 N59 D60 I61N11-R34 PolarHBondContact ND2-O 2.85Å; I15-R34 HydrophobicContact CD1-CB 4.46Å; I15-R34 HydrophobicContact CD1-CG 4.21Å; I15-R34 WeakPolarHBondContact CD1-O 3.46Å; L29-R34 VanDerWaalsContact O-CD 3.24Å; L29-R34 WeakPolarHBondContact O-CD 3.43Å; L29-R34 PolarHBondContact O-NH1 3.38Å; I31-R34 HydrophobicContact CD1-CB 4.2Å; I31-R34 HydrophobicContact CG1-CB 3.48Å; I31-R34 VanDerWaalsContact CG1-CB 3.48Å; I31-R34 HydrophobicContact CG1-CG 4.41Å; I31-R34 VanDerWaalsContact CG1-CZ 3.48Å; I31-R34 PolarHBondContact O-N 3.13Å; P32-R34 VanDerWaalsContact C-N 3.26Å; P32-R34 PolarHBondContact O-N 2.85Å; R34-F58 HydrophobicContact CG-CB 3.93Å; R34-F58 HydrophobicContact CG-CD1 3.54Å; R34-F58 HydrophobicContact CG-CE1 4.37Å; R34-F58 HydrophobicContact CG-CG 4.04Å; R34-N59 WeakPolarHBondContact CA-OD1 3.16Å; R34-D60 WeakPolarHBondContact CD-OD1 3.32Å; R34-D60 WeakPolarHBondContact CG-OD1 3.43Å; R34-D60 IonicContact CZ-OD1 2.98Å; R34-D60 IonicContact CZ-OD2 2.79Å; R34-D60 VanDerWaalsContact CZ-OD2 3.27Å; R34-D60 VanDerWaalsContact NE-CG 3.33Å; R34-D60 IonicContact NE-OD1 3.82Å; R34-D60 PolarHBondContact NE-OD1 2.87Å; R34-D60 IonicContact NE-OD2 2.81Å; R34-D60 PolarHBondContact NE-OD2 2.75Å; R34-D60 IonicContact NH2-OD1 3.35Å; R34-D60 IonicContact NH2-OD2 2.83Å; R34-D60 PolarHBondContact NH2-OD2 3.02Å; R34-I61 VanDerWaalsContact CZ-CD1 3.41Å
35V96.1Very high94.6Very high2 Ų248.6 Ų48.61%0.01230%0.302CS..  trans-126.5129.9-177.1-167.50000110.1V2 L5 A6 N11 I37 F58 N59V2-V35 HydrophobicContact CG1-CB 4.03Å; V2-V35 HydrophobicContact CG1-CG1 4.39Å; V2-V35 HydrophobicContact CG1-CG2 3.5Å; L5-V35 HydrophobicContact CB-CG1 4.12Å; A6-V35 VanDerWaalsContact CA-CG2 3.45Å; A6-V35 HydrophobicContact CB-CG2 3.46Å; A6-V35 VanDerWaalsContact CB-CG2 3.46Å; N11-V35 WeakPolarHBondContact OD1-CA 3.22Å; V35-I37 HydrophobicContact CB-CD1 4.1Å; V35-I37 HydrophobicContact CG1-CD1 4.02Å; V35-I37 PolarHBondContact O-N 2.89Å; V35-F58 CarbonylContact O-C 3.52Å; V35-F58 WeakPolarHBondContact O-CA 3.39Å; V35-N59 HydrophobicContact CB-CB 4.44Å; V35-N59 PolarHBondContact N-OD1 2.9Å; V35-N59 PolarHBondContact O-N 3.08Å; V35-N59 VanDerWaalsContact O-N 3.08Å
36L97.2Very high94.7Very high4 Ų445.5 Ų45.52%0.02127%0.274CS..EExtended strand (participates in β ladder)trans-77.8109.5170.1-178.266.1000109.9N11 R14 I15 V18 F56 F58N11-L36 PolarHBondContact OD1-N 3.39Å; R14-L36 HydrophobicContact CB-CD2 4.07Å; R14-L36 PolarHBondContact NH1-O 3.4Å; R14-L36 VanDerWaalsContact NH1-O 3.09Å; R14-L36 PolarHBondContact NH2-O 2.92Å; I15-L36 HydrophobicContact CG1-CB 4.2Å; V18-L36 HydrophobicContact CG2-CD2 4.03Å; L36-F56 HydrophobicContact CD1-CB 4.1Å; L36-F56 HydrophobicContact CD1-CD1 4.4Å; L36-F58 HydrophobicContact CB-CD1 4.2Å; L36-F58 HydrophobicContact CB-CE1 4.05Å; L36-F58 HydrophobicContact CD1-CD1 4.17Å; L36-F58 HydrophobicContact CD1-CE1 3.86Å; L36-F58 HydrophobicContact CD1-CE2 4.21Å; L36-F58 HydrophobicContact CD1-CZ 3.88Å
37I97.3Very high94.6Very high47 Ų4749.2 Ų49.224%0.24128%0.283CS..EExtended strand (participates in β ladder)trans-84.8-46.1-177-55-57.5000110.8V2 V35 L57 N59 H125V2-I37 HydrophobicContact CG2-CD1 4.42Å; V35-I37 HydrophobicContact CB-CD1 4.1Å; V35-I37 HydrophobicContact CG1-CD1 4.02Å; V35-I37 PolarHBondContact O-N 2.89Å; I37-L57 WeakPolarHBondContact CA-O 3.44Å; I37-L57 HydrophobicContact CB-CB 4.42Å; I37-L57 HydrophobicContact CB-CD2 4.23Å; I37-L57 HydrophobicContact CB-CG 4.13Å; I37-L57 WeakPolarHBondContact CB-O 3.21Å; I37-L57 HydrophobicContact CG2-CD2 4.08Å; I37-L57 PolarHBondContact N-O 3Å; I37-N59 HydrophobicContact CD1-CB 4.31Å; I37-N59 HydrophobicContact CG1-CB 4.38Å; I37-H125 HydrophobicContact CG2-CB 4.14Å
38G95.9Very high94.4Very high20 Ų2049.1 Ų49.121%0.20628%0.28CS..EExtended strand (participates in β ladder)trans-160.3160.4-177.600000112.8F56 L57G38-F56 CarbonylContact O-C 3.58Å; G38-F56 WeakPolarHBondContact O-CA 3.4Å; G38-L57 PolarHBondContact N-O 2.91Å; G38-L57 PolarHBondContact O-N 2.99Å
39E97.5Very high94.2Very high112 Ų11251.1 Ų51.152%0.52328%0.28SS..EExtended strand (participates in β ladder)trans-144.5152.5174.268.8176.9155.900110.1F55 F56E39-F55 VanDerWaalsContact CA-O 3.27Å; E39-F55 WeakPolarHBondContact CA-O 3.38Å; E39-F56 HydrophobicContact CB-CD1 3.6Å; E39-F56 HydrophobicContact CB-CE1 3.99Å; E39-F56 VanDerWaalsContact OE2-CE1 3.23Å; E39-F56 WeakPolarHBondContact OE2-CE1 3.4Å
40G97.4Very high94.1Very high18 Ų1854.7 Ų54.719%0.18630%0.303CS..EExtended strand (participates in β ladder)trans177.4163.7-178.600000113.1F55G40-F55 PolarHBondContact N-O 3.28Å; G40-F55 PolarHBondContact O-N 3.37Å
41V98.2Very high94.2Very high57 Ų5754.6 Ų54.635%0.34530%0.297SS..EExtended strand (participates in β ladder)trans-90.6124.1173.8179.20000108.5A52 R53 I67V41-A52 HydrophobicContact CG1-CB 3.89Å; V41-R53 WeakPolarHBondContact CA-O 3.38Å; V41-I67 HydrophobicContact CG1-CD1 3.97Å; V41-I67 HydrophobicContact CG2-CD1 3.83Å
42L98.3Very high94.5Very high2 Ų253.5 Ų53.51%0.0130%0.299CS..EExtended strand (participates in β ladder)trans-117.9148.3171.3-56.1175.1000110K44 R53 F55 W100 V111 A113 W122L42-K44 PolarHBondContact O-N 3.1Å; L42-R53 PolarHBondContact N-O 3.09Å; L42-R53 PolarHBondContact O-N 3.09Å; L42-F55 HydrophobicContact CB-CD2 3.63Å; L42-F55 HydrophobicContact CB-CE2 3.68Å; L42-F55 HydrophobicContact CD1-CB 4.28Å; L42-F55 HydrophobicContact CD1-CD1 4.35Å; L42-F55 HydrophobicContact CD1-CD2 3.8Å; L42-F55 HydrophobicContact CD1-CE2 4.16Å; L42-F55 HydrophobicContact CD1-CG 3.9Å; L42-F55 HydrophobicContact CG-CD2 3.85Å; L42-F55 HydrophobicContact CG-CE2 4.32Å; L42-F55 HydrophobicContact CG-CG 4.33Å; L42-W100 HydrophobicContact CD1-CH2 3.7Å; L42-W100 HydrophobicContact CD1-CZ2 3.62Å; L42-W100 HydrophobicContact CD2-CH2 3.7Å; L42-W100 HydrophobicContact CD2-CZ2 4.46Å; L42-W100 HydrophobicContact CG-CH2 4.34Å; L42-V111 HydrophobicContact CB-CB 4.33Å; L42-V111 HydrophobicContact CD1-CB 4.32Å; L42-V111 HydrophobicContact CD1-CG2 4.23Å; L42-A113 HydrophobicContact CD2-CB 3.95Å; L42-W122 HydrophobicContact CD1-CD2 4.34Å
43T97.4Very high94.9Very high58 Ų5849 Ų4936%0.35627%0.265SS..EExtended strand (participates in β ladder)trans-85.2109.1172.4-64.80000108.8P50 V111 Y112T43-P50 HydrophobicContact CG2-CB 3.6Å; T43-V111 CarbonylContact O-C 3.57Å; T43-V111 VanDerWaalsContact O-CA 3.29Å; T43-V111 WeakPolarHBondContact O-CA 3.01Å; T43-Y112 PolarHBondContact N-O 2.91Å; T43-Y112 PolarHBondContact O-N 3.05Å
44K96.4Very high95.3Very high12 Ų1247.8 Ų47.85%0.05225%0.25CS..EExtended strand (participates in β ladder)trans-87.9125.8176.2-175.6-175.5178-55.20109.8L42 C46 P50 K51 R53 Y64 F109 V111L42-K44 PolarHBondContact O-N 3.1Å; K44-C46 PolarHBondContact O-N 3.1Å; K44-P50 WeakPolarHBondContact O-CA 3.16Å; K44-K51 PolarHBondContact N-O 3.49Å; K44-K51 PolarHBondContact O-N 3.46Å; K44-R53 HydrophobicContact CB-CG 4.07Å; K44-R53 HydrophobicContact CD-CG 4.44Å; K44-Y64 HydrophobicContact CD-CE2 4.19Å; K44-F109 HydrophobicContact CD-CD2 3.96Å; K44-F109 HydrophobicContact CD-CE2 4.21Å; K44-F109 HydrophobicContact CD-CG 4.38Å; K44-F109 VanDerWaalsContact CE-CG 3.45Å; K44-F109 HydrophobicContact CG-CD2 3.81Å; K44-F109 HydrophobicContact CG-CE2 4.34Å; K44-F109 HydrophobicContact CG-CG 4.42Å; K44-V111 HydrophobicContact CB-CG1 4.31Å; K44-V111 HydrophobicContact CG-CG1 4.35Å
45L93.6Very high95.5Very high32 Ų3246.7 Ų46.717%0.16825%0.246CC..  trans-72125168.3-65.4-171.8000109.6P50 L96 A110 Y112L45-P50 HydrophobicContact CD2-CB 3.88Å; L45-P50 HydrophobicContact CD2-CG 3.68Å; L45-L96 HydrophobicContact CD1-CD1 4.48Å; L45-A110 HydrophobicContact CB-CB 4.24Å; L45-A110 HydrophobicContact CD1-CB 4.07Å; L45-A110 HydrophobicContact CG-CB 4.28Å; L45-A110 PolarHBondContact N-O 2.83Å; L45-Y112 HydrophobicContact CD1-CD2 4.31Å; L45-Y112 HydrophobicContact CD1-CE2 3.37Å; L45-Y112 HydrophobicContact CD2-CD2 4.47Å; L45-Y112 HydrophobicContact CD2-CE2 4.25Å; L45-Y112 HydrophobicContact CG-CD2 3.98Å; L45-Y112 HydrophobicContact CG-CE2 3.5Å
46C90.6Very high95.6Very high34 Ų3446.7 Ų46.723%0.2325%0.246CC..  trans-119.6165.7174.9-64.70000109K44 K48 K49K44-C46 PolarHBondContact O-N 3.1Å; C46-K48 VanDerWaalsContact C-N 3.31Å; C46-K48 PolarHBondContact O-N 3.08Å; C46-K49 WeakPolarHBondContact CB-O 3.31Å
47R88.8Confident95.7Very high96 Ų9646.5 Ų46.536%0.36225%0.245SC..SBendtrans-49.4-46.7-177.171.9-171.8-172.2-99.7-4.7113.8W149 D152 D244R47-W149 HydrophobicContact CB-CE3 4.49Å; R47-D152 WeakPolarHBondContact O-CB 3.44Å; R47-D152 PolarHBondContact O-N 3.48Å; R47-D244 IonicContact CZ-OD1 2.87Å; R47-D244 IonicContact NH1-OD1 2.97Å; R47-D244 PolarHBondContact NH1-OD1 3.38Å; R47-D244 VanDerWaalsContact NH1-OD1 3.13Å; R47-D244 IonicContact NH2-OD1 2.99Å; R47-D244 PolarHBondContact NH2-OD1 3.43Å
48K88.8Confident95.7Very high124 Ų12444.3 Ų44.354%0.53923%0.234SC..SBendtrans-87.7-52.1-176.1-67.8-173177.6-178.70113.2C46C46-K48 VanDerWaalsContact C-N 3.31Å; C46-K48 PolarHBondContact O-N 3.08Å
49K90.3Very high95.7Very high133 Ų13344.8 Ų44.858%0.57823%0.232SC*.SBendtrans-151.7150.5-174.363-177178.2-174.30112C46 K51C46-K49 WeakPolarHBondContact CB-O 3.31Å; K49-K51 HydrophobicContact CG-CG 4.14Å; K49-K51 PolarHBondContact O-N 3.1Å
50P93.4Very high95.7Very high75 Ų7541.2 Ų41.249%0.48722%0.216SC..  trans-55.3137.6166-19.430.4000110.3T43 K44 L45T43-P50 HydrophobicContact CG2-CB 3.6Å; K44-P50 WeakPolarHBondContact O-CA 3.16Å; L45-P50 HydrophobicContact CD2-CB 3.88Å; L45-P50 HydrophobicContact CD2-CG 3.68Å
51K95.6Very high95.7Very high62 Ų6240.8 Ų40.827%0.2721%0.21SC..EExtended strand (participates in β ladder)trans-134.1132.9176-57.4-174.3176.4-179.20110.7K44 K49 R53 D244K44-K51 PolarHBondContact N-O 3.49Å; K44-K51 PolarHBondContact O-N 3.46Å; K49-K51 HydrophobicContact CG-CG 4.14Å; K49-K51 PolarHBondContact O-N 3.1Å; K51-R53 VanDerWaalsContact CD-NH2 3.27Å; K51-D244 IonicContact NZ-OD2 3.9Å
52A97.3Very high95.7Very high50 Ų5038.1 Ų38.141%0.41319%0.193SC..EExtended strand (participates in β ladder)trans-64.3136.1170.400000110.5V41 I67V41-A52 HydrophobicContact CG1-CB 3.89Å; A52-I67 HydrophobicContact CB-CD1 4.43Å
53R98Very high95.7Very high32 Ų3238 Ų3812%0.12119%0.193CC..EExtended strand (participates in β ladder)trans-137142.5177.4-66.3-68.9179.3-96.612.7108.6V41 L42 K44 K51 F55 Y64 G65 N66V41-R53 WeakPolarHBondContact CA-O 3.38Å; L42-R53 PolarHBondContact N-O 3.09Å; L42-R53 PolarHBondContact O-N 3.09Å; K44-R53 HydrophobicContact CB-CG 4.07Å; K44-R53 HydrophobicContact CD-CG 4.44Å; K51-R53 VanDerWaalsContact CD-NH2 3.27Å; R53-F55 HydrophobicContact CB-CD2 4.04Å; R53-F55 HydrophobicContact CB-CE2 3.56Å; R53-F55 HydrophobicContact CB-CZ 4.36Å; R53-F55 HydrophobicContact CG-CE2 4.49Å; R53-F55 WeakPolarHBondContact O-CD2 3.47Å; R53-Y64 HydrophobicContact CG-CD2 4.44Å; R53-G65 WeakPolarHBondContact CA-O 2.99Å; R53-G65 WeakPolarHBondContact CD-O 3.34Å; R53-N66 PolarHBondContact NE-OD1 2.79Å; R53-N66 PolarHBondContact NH2-OD1 3.28Å
54Q98.3Very high95.8Very high10 Ų1035.6 Ų35.65%0.04718%0.177CC..EExtended strand (participates in β ladder)trans-81.1126.6169.5-177.966.630.800107.9F56 Y64 G65 I67 Y74Q54-F56 HydrophobicContact CB-CE2 4.28Å; Q54-F56 HydrophobicContact CB-CZ 4.45Å; Q54-F56 HydrophobicContact CG-CD2 4.28Å; Q54-F56 HydrophobicContact CG-CE1 4.01Å; Q54-F56 HydrophobicContact CG-CE2 3.42Å; Q54-F56 VanDerWaalsContact CG-CE2 3.42Å; Q54-F56 HydrophobicContact CG-CZ 3.25Å; Q54-Y64 CarbonylContact O-C 3.58Å; Q54-Y64 WeakPolarHBondContact O-CA 3.17Å; Q54-Y64 WeakPolarHBondContact O-CB 3.5Å; Q54-G65 PolarHBondContact N-O 3.24Å; Q54-G65 PolarHBondContact O-N 3.41Å; Q54-I67 HydrophobicContact CB-CD1 4.36Å; Q54-I67 HydrophobicContact CB-CG1 3.96Å; Q54-Y74 HydrophobicContact CB-CD1 4.17Å; Q54-Y74 HydrophobicContact CB-CE1 3.89Å; Q54-Y74 HydrophobicContact CG-CD2 4.5Å; Q54-Y74 HydrophobicContact CG-CE1 4.06Å; Q54-Y74 HydrophobicContact CG-CE2 3.98Å
55F98.6Very high95.8Very high1 Ų135 Ų350%0.00418%0.175CC..EExtended strand (participates in β ladder)trans-111.8147.2174.8-76-100.4000110.5E39 G40 L42 R53 L62 V63 Y64 I102 F109 V111 W122E39-F55 VanDerWaalsContact CA-O 3.27Å; E39-F55 WeakPolarHBondContact CA-O 3.38Å; G40-F55 PolarHBondContact N-O 3.28Å; G40-F55 PolarHBondContact O-N 3.37Å; L42-F55 HydrophobicContact CB-CD2 3.63Å; L42-F55 HydrophobicContact CB-CE2 3.68Å; L42-F55 HydrophobicContact CD1-CB 4.28Å; L42-F55 HydrophobicContact CD1-CD1 4.35Å; L42-F55 HydrophobicContact CD1-CD2 3.8Å; L42-F55 HydrophobicContact CD1-CE2 4.16Å; L42-F55 HydrophobicContact CD1-CG 3.9Å; L42-F55 HydrophobicContact CG-CD2 3.85Å; L42-F55 HydrophobicContact CG-CE2 4.32Å; L42-F55 HydrophobicContact CG-CG 4.33Å; R53-F55 HydrophobicContact CB-CD2 4.04Å; R53-F55 HydrophobicContact CB-CE2 3.56Å; R53-F55 HydrophobicContact CB-CZ 4.36Å; R53-F55 HydrophobicContact CG-CE2 4.49Å; R53-F55 WeakPolarHBondContact O-CD2 3.47Å; F55-L62 HydrophobicContact CD1-CD1 4.22Å; F55-L62 HydrophobicContact CD1-CD2 4.4Å; F55-L62 HydrophobicContact CD1-CG 4.41Å; F55-V63 CarbonylContact C-O 3.55Å; F55-V63 WeakPolarHBondContact CA-O 3.21Å; F55-Y64 VanDerWaalsContact CD1-CB 3.46Å; F55-Y64 HydrophobicContact CD1-CD1 4.44Å; F55-Y64 HydrophobicContact CD1-CG 4.14Å; F55-Y64 AromaticContact CE1-CD1 3.91Å; F55-Y64 HydrophobicContact CE1-CD1 3.91Å; F55-Y64 HydrophobicContact CE1-CD2 4.37Å; F55-Y64 AromaticContact CE1-CG 3.68Å; F55-Y64 HydrophobicContact CE1-CG 3.68Å; F55-Y64 HydrophobicContact CZ-CD2 4.22Å; F55-Y64 AromaticContact CZ-CG 3.98Å; F55-Y64 HydrophobicContact CZ-CG 3.98Å; F55-I102 HydrophobicContact CE1-CD1 4.44Å; F55-F109 HydrophobicContact CE1-CE2 4.1Å; F55-F109 HydrophobicContact CE1-CZ 4.39Å; F55-F109 HydrophobicContact CZ-CE2 4.03Å; F55-V111 HydrophobicContact CE1-CG1 4.4Å; F55-V111 HydrophobicContact CE2-CG1 4.25Å; F55-V111 HydrophobicContact CZ-CG1 3.72Å; F55-W122 HydrophobicContact CB-CH2 3.68Å; F55-W122 HydrophobicContact CB-CZ2 4.16Å; F55-W122 HydrophobicContact CB-CZ3 4.27Å
56F98.5Very high95.9Very high1 Ų135.5 Ų35.50%0.00418%0.178CC..EExtended strand (participates in β ladder)trans-134.2122.4174.4-52.7-88.6000108.4V18 F22 L36 G38 E39 Q54 F58 V63 Y74V18-F56 HydrophobicContact CB-CD1 4.35Å; V18-F56 HydrophobicContact CB-CE1 4.21Å; V18-F56 HydrophobicContact CG1-CD1 3.69Å; V18-F56 HydrophobicContact CG1-CD2 3.87Å; V18-F56 HydrophobicContact CG1-CE1 3.66Å; V18-F56 HydrophobicContact CG1-CE2 3.84Å; V18-F56 HydrophobicContact CG1-CG 3.79Å; V18-F56 HydrophobicContact CG1-CZ 3.72Å; V18-F56 HydrophobicContact CG2-CD1 3.62Å; V18-F56 HydrophobicContact CG2-CE1 3.56Å; V18-F56 HydrophobicContact CG2-CG 4.47Å; V18-F56 HydrophobicContact CG2-CZ 4.35Å; F22-F56 HydrophobicContact CE2-CD2 4.26Å; F22-F56 AromaticContact CE2-CE2 3.79Å; F22-F56 HydrophobicContact CE2-CE2 3.79Å; F22-F56 HydrophobicContact CZ-CD2 4.46Å; F22-F56 AromaticContact CZ-CE2 3.96Å; F22-F56 HydrophobicContact CZ-CE2 3.96Å; L36-F56 HydrophobicContact CD1-CB 4.1Å; L36-F56 HydrophobicContact CD1-CD1 4.4Å; G38-F56 CarbonylContact O-C 3.58Å; G38-F56 WeakPolarHBondContact O-CA 3.4Å; E39-F56 HydrophobicContact CB-CD1 3.6Å; E39-F56 HydrophobicContact CB-CE1 3.99Å; E39-F56 VanDerWaalsContact OE2-CE1 3.23Å; E39-F56 WeakPolarHBondContact OE2-CE1 3.4Å; Q54-F56 HydrophobicContact CB-CE2 4.28Å; Q54-F56 HydrophobicContact CB-CZ 4.45Å; Q54-F56 HydrophobicContact CG-CD2 4.28Å; Q54-F56 HydrophobicContact CG-CE1 4.01Å; Q54-F56 HydrophobicContact CG-CE2 3.42Å; Q54-F56 VanDerWaalsContact CG-CE2 3.42Å; Q54-F56 HydrophobicContact CG-CZ 3.25Å; F56-F58 HydrophobicContact CB-CD2 4.37Å; F56-F58 HydrophobicContact CB-CE2 3.73Å; F56-F58 HydrophobicContact CB-CZ 4.4Å; F56-V63 HydrophobicContact CB-CB 4.29Å; F56-V63 HydrophobicContact CD2-CB 4.44Å; F56-V63 HydrophobicContact CD2-CG1 4.44Å; F56-V63 PolarHBondContact N-O 2.92Å; F56-V63 PolarHBondContact O-N 2.87Å; F56-Y74 HydrophobicContact CE2-CD2 4.19Å; F56-Y74 HydrophobicContact CE2-CE2 4.23Å; F56-Y74 AromaticContact CZ-CD2 3.95Å; F56-Y74 HydrophobicContact CZ-CD2 3.95Å; F56-Y74 AromaticContact CZ-CE2 3.56Å; F56-Y74 HydrophobicContact CZ-CE2 3.56Å
57L98.6Very high96.3Very high1 Ų136.4 Ų36.41%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-96.2118.6172.6-17761.8000109.2I37 G38 L62 L82 W122 H125 I126I37-L57 WeakPolarHBondContact CA-O 3.44Å; I37-L57 HydrophobicContact CB-CB 4.42Å; I37-L57 HydrophobicContact CB-CD2 4.23Å; I37-L57 HydrophobicContact CB-CG 4.13Å; I37-L57 WeakPolarHBondContact CB-O 3.21Å; I37-L57 HydrophobicContact CG2-CD2 4.08Å; I37-L57 PolarHBondContact N-O 3Å; G38-L57 PolarHBondContact N-O 2.91Å; G38-L57 PolarHBondContact O-N 2.99Å; L57-L62 HydrophobicContact CD1-CD1 4.18Å; L57-L82 HydrophobicContact CD1-CD1 3.86Å; L57-L82 HydrophobicContact CD1-CD2 4.05Å; L57-W122 HydrophobicContact CB-CE3 4.42Å; L57-W122 HydrophobicContact CB-CH2 4.18Å; L57-W122 HydrophobicContact CB-CZ3 3.65Å; L57-H125 HydrophobicContact CD2-CB 3.45Å; L57-H125 VanDerWaalsContact CD2-CB 3.45Å; L57-I126 HydrophobicContact CD1-CG1 3.93Å; L57-I126 HydrophobicContact CD2-CG1 4.03Å
58F98.3Very high96.6Very high0 Ų035.1 Ų35.10%018%0.182CC..EExtended strand (participates in β ladder)trans-100169.8164.4-59.8-95.1000109.7I15 V18 L29 R34 V35 L36 F56 D60 I61 V63 L82I15-F58 HydrophobicContact CB-CE1 4.44Å; I15-F58 HydrophobicContact CD1-CD1 4.35Å; I15-F58 HydrophobicContact CD1-CE1 4.09Å; I15-F58 HydrophobicContact CG1-CE1 3.89Å; I15-F58 HydrophobicContact CG2-CE1 4Å; V18-F58 HydrophobicContact CG1-CZ 4.41Å; L29-F58 HydrophobicContact CB-CZ 4.33Å; L29-F58 HydrophobicContact CD1-CE2 4.17Å; L29-F58 HydrophobicContact CD1-CZ 3.89Å; R34-F58 HydrophobicContact CG-CB 3.93Å; R34-F58 HydrophobicContact CG-CD1 3.54Å; R34-F58 HydrophobicContact CG-CE1 4.37Å; R34-F58 HydrophobicContact CG-CG 4.04Å; V35-F58 CarbonylContact O-C 3.52Å; V35-F58 WeakPolarHBondContact O-CA 3.39Å; L36-F58 HydrophobicContact CB-CD1 4.2Å; L36-F58 HydrophobicContact CB-CE1 4.05Å; L36-F58 HydrophobicContact CD1-CD1 4.17Å; L36-F58 HydrophobicContact CD1-CE1 3.86Å; L36-F58 HydrophobicContact CD1-CE2 4.21Å; L36-F58 HydrophobicContact CD1-CZ 3.88Å; F56-F58 HydrophobicContact CB-CD2 4.37Å; F56-F58 HydrophobicContact CB-CE2 3.73Å; F56-F58 HydrophobicContact CB-CZ 4.4Å; F58-D60 PolarHBondContact O-N 3.05Å; F58-I61 WeakPolarHBondContact CA-O 3.36Å; F58-I61 HydrophobicContact CB-CG1 3.74Å; F58-I61 WeakPolarHBondContact CB-O 3.46Å; F58-I61 HydrophobicContact CD2-CD1 4.09Å; F58-I61 HydrophobicContact CD2-CG1 3.73Å; F58-I61 HydrophobicContact CG-CD1 4.46Å; F58-I61 HydrophobicContact CG-CG1 3.94Å; F58-I61 PolarHBondContact N-O 2.68Å; F58-V63 HydrophobicContact CD2-CG2 3.9Å; F58-V63 HydrophobicContact CE2-CB 4.18Å; F58-V63 HydrophobicContact CE2-CG2 3.68Å; F58-L82 VanDerWaalsContact O-CD1 3.27Å; F58-L82 WeakPolarHBondContact O-CD1 3.34Å
59N96.4Very high96.9Very high31 Ų3133.4 Ų33.417%0.16618%0.178CC..SBendtrans-68.8-16.5177.262.5-32.7000114V2 G33 R34 V35 I37 L133V2-N59 HydrophobicContact CG1-CB 4.37Å; G33-N59 PolarHBondContact O-ND2 3.21Å; R34-N59 WeakPolarHBondContact CA-OD1 3.16Å; V35-N59 HydrophobicContact CB-CB 4.44Å; V35-N59 PolarHBondContact N-OD1 2.9Å; V35-N59 PolarHBondContact O-N 3.08Å; V35-N59 VanDerWaalsContact O-N 3.08Å; I37-N59 HydrophobicContact CD1-CB 4.31Å; I37-N59 HydrophobicContact CG1-CB 4.38Å; N59-L133 WeakPolarHBondContact O-CD1 3.39Å; N59-L133 WeakPolarHBondContact O-CG 3.34Å
60D96.4Very high96.9Very high37 Ų3733.2 Ų33.220%0.19818%0.179CC..SBendtrans-123.6-24.2-176.866.9-36.7000114.1R34 F58 L82 L133R34-D60 WeakPolarHBondContact CD-OD1 3.32Å; R34-D60 WeakPolarHBondContact CG-OD1 3.43Å; R34-D60 IonicContact CZ-OD1 2.98Å; R34-D60 IonicContact CZ-OD2 2.79Å; R34-D60 VanDerWaalsContact CZ-OD2 3.27Å; R34-D60 VanDerWaalsContact NE-CG 3.33Å; R34-D60 IonicContact NE-OD1 3.82Å; R34-D60 PolarHBondContact NE-OD1 2.87Å; R34-D60 IonicContact NE-OD2 2.81Å; R34-D60 PolarHBondContact NE-OD2 2.75Å; R34-D60 IonicContact NH2-OD1 3.35Å; R34-D60 IonicContact NH2-OD2 2.83Å; R34-D60 PolarHBondContact NH2-OD2 3.02Å; F58-D60 PolarHBondContact O-N 3.05Å; D60-L82 WeakPolarHBondContact O-CB 3.19Å; D60-L82 PolarHBondContact O-N 2.98Å; D60-L133 HydrophobicContact CB-CD2 4.22Å
61I97.9Very high96.7Very high9 Ų937.6 Ų37.65%0.04619%0.19CC..EExtended strand (participates in β ladder)trans-135.9151.6-177.561.3173.1000112.2L29 R34 F58 V63 I79 I80L29-I61 HydrophobicContact CD2-CD1 3.99Å; R34-I61 VanDerWaalsContact CZ-CD1 3.41Å; F58-I61 WeakPolarHBondContact CA-O 3.36Å; F58-I61 HydrophobicContact CB-CG1 3.74Å; F58-I61 WeakPolarHBondContact CB-O 3.46Å; F58-I61 HydrophobicContact CD2-CD1 4.09Å; F58-I61 HydrophobicContact CD2-CG1 3.73Å; F58-I61 HydrophobicContact CG-CD1 4.46Å; F58-I61 HydrophobicContact CG-CG1 3.94Å; F58-I61 PolarHBondContact N-O 2.68Å; I61-V63 HydrophobicContact CD1-CG2 3.61Å; I61-V63 HydrophobicContact CG1-CG2 4.03Å; I61-I79 HydrophobicContact CB-CG2 4.11Å; I61-I79 HydrophobicContact CD1-CG2 3.86Å; I61-I79 HydrophobicContact CG2-CG2 4.07Å; I61-I80 CarbonylContact C-O 3.54Å; I61-I80 VanDerWaalsContact CA-O 3.29Å; I61-I80 WeakPolarHBondContact CA-O 3.5Å
62L98.4Very high96.6Very high1 Ų142.1 Ų42.11%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-104.7127.4163.2-179.270.3000108.7F55 L57 I80 L82 I102 W122F55-L62 HydrophobicContact CD1-CD1 4.22Å; F55-L62 HydrophobicContact CD1-CD2 4.4Å; F55-L62 HydrophobicContact CD1-CG 4.41Å; L57-L62 HydrophobicContact CD1-CD1 4.18Å; L62-I80 HydrophobicContact CB-CB 4.4Å; L62-I80 PolarHBondContact N-O 3.36Å; L62-I80 PolarHBondContact O-N 3.01Å; L62-L82 HydrophobicContact CB-CD2 3.87Å; L62-I102 HydrophobicContact CD2-CD1 3.84Å; L62-I102 HydrophobicContact CD2-CG2 4.31Å; L62-W122 HydrophobicContact CD1-CZ3 4.02Å
63V98.4Very high96.5Very high0 Ų045.2 Ų45.20%021%0.214CC..EExtended strand (participates in β ladder)trans-117.2139.4179-175.20000109.9F22 L29 F55 F56 F58 I61 Q77 H78 I79F22-V63 HydrophobicContact CE2-CG1 4.14Å; F22-V63 HydrophobicContact CZ-CG1 4.14Å; L29-V63 HydrophobicContact CD2-CG2 3.96Å; F55-V63 CarbonylContact C-O 3.55Å; F55-V63 WeakPolarHBondContact CA-O 3.21Å; F56-V63 HydrophobicContact CB-CB 4.29Å; F56-V63 HydrophobicContact CD2-CB 4.44Å; F56-V63 HydrophobicContact CD2-CG1 4.44Å; F56-V63 PolarHBondContact N-O 2.92Å; F56-V63 PolarHBondContact O-N 2.87Å; F58-V63 HydrophobicContact CD2-CG2 3.9Å; F58-V63 HydrophobicContact CE2-CB 4.18Å; F58-V63 HydrophobicContact CE2-CG2 3.68Å; I61-V63 HydrophobicContact CD1-CG2 3.61Å; I61-V63 HydrophobicContact CG1-CG2 4.03Å; V63-Q77 HydrophobicContact CG1-CG 3.84Å; V63-H78 CarbonylContact C-O 3.48Å; V63-H78 VanDerWaalsContact CA-O 3.24Å; V63-H78 WeakPolarHBondContact CA-O 3.44Å; V63-I79 HydrophobicContact CG1-CG1 4.35Å; V63-I79 HydrophobicContact CG2-CG1 4.13Å; V63-I79 HydrophobicContact CG2-CG2 4.49Å
64Y98.3Very high96.5Very high7 Ų744 Ų443%0.02721%0.21CC..EExtended strand (participates in β ladder)trans-146.3160.3169.572.2-82.1000112.8K44 R53 Q54 F55 H78 I80 F109K44-Y64 HydrophobicContact CD-CE2 4.19Å; R53-Y64 HydrophobicContact CG-CD2 4.44Å; Q54-Y64 CarbonylContact O-C 3.58Å; Q54-Y64 WeakPolarHBondContact O-CA 3.17Å; Q54-Y64 WeakPolarHBondContact O-CB 3.5Å; F55-Y64 VanDerWaalsContact CD1-CB 3.46Å; F55-Y64 HydrophobicContact CD1-CD1 4.44Å; F55-Y64 HydrophobicContact CD1-CG 4.14Å; F55-Y64 AromaticContact CE1-CD1 3.91Å; F55-Y64 HydrophobicContact CE1-CD1 3.91Å; F55-Y64 HydrophobicContact CE1-CD2 4.37Å; F55-Y64 AromaticContact CE1-CG 3.68Å; F55-Y64 HydrophobicContact CE1-CG 3.68Å; F55-Y64 HydrophobicContact CZ-CD2 4.22Å; F55-Y64 AromaticContact CZ-CG 3.98Å; F55-Y64 HydrophobicContact CZ-CG 3.98Å; Y64-H78 HydrophobicContact CD1-CB 3.72Å; Y64-H78 HydrophobicContact CD2-CB 4.4Å; Y64-H78 AromaticContact CD2-CD2 3.92Å; Y64-H78 HydrophobicContact CE1-CB 3.31Å; Y64-H78 AromaticContact CE1-CG 3.91Å; Y64-H78 HydrophobicContact CE2-CB 4.07Å; Y64-H78 AromaticContact CE2-CD2 3.31Å; Y64-H78 WeakPolarHBondContact CE2-CD2 3.48Å; Y64-H78 AromaticContact CE2-CG 3.87Å; Y64-H78 HydrophobicContact CG-CB 4.24Å; Y64-H78 AromaticContact CZ-CD2 3.47Å; Y64-H78 VanDerWaalsContact CZ-CD2 3.47Å; Y64-H78 AromaticContact CZ-CG 3.53Å; Y64-H78 PolarHBondContact N-O 2.87Å; Y64-H78 PolarHBondContact O-N 3.43Å; Y64-I80 HydrophobicContact CD1-CD1 4.33Å; Y64-I80 HydrophobicContact CE1-CD1 3.78Å; Y64-F109 HydrophobicContact CD1-CZ 4.45Å; Y64-F109 HydrophobicContact CE1-CE1 4.26Å; Y64-F109 AromaticContact CE1-CZ 3.89Å; Y64-F109 HydrophobicContact CE1-CZ 3.89Å
65G97.3Very high96.4Very high0 Ų046.8 Ų46.80%023%0.225CC..EExtended strand (participates in β ladder)trans-159172.217800000113.7R53 Q54 N75R53-G65 WeakPolarHBondContact CA-O 2.99Å; R53-G65 WeakPolarHBondContact CD-O 3.34Å; Q54-G65 PolarHBondContact N-O 3.24Å; Q54-G65 PolarHBondContact O-N 3.41Å; G65-N75 CarbonylContact C-O 3.59Å; G65-N75 WeakPolarHBondContact CA-O 3.41Å
66N96.8Very high96.3Very high42 Ų4251.6 Ų51.623%0.22525%0.246CC..EExtended strand (participates in β ladder)trans-73.1141.1173.7-55.3-28.5000110.1R53 V68 Y74 N75 K76R53-N66 PolarHBondContact NE-OD1 2.79Å; R53-N66 PolarHBondContact NH2-OD1 3.28Å; N66-V68 PolarHBondContact O-N 3.05Å; N66-Y74 WeakPolarHBondContact O-CA 3.29Å; N66-N75 VanDerWaalsContact CB-OD1 3.22Å; N66-N75 WeakPolarHBondContact CB-OD1 3.39Å; N66-N75 PolarHBondContact N-O 3.33Å; N66-N75 PolarHBondContact ND2-OD1 3.22Å; N66-N75 PolarHBondContact O-N 3.43Å; N66-N75 VanDerWaalsContact O-N 3.13Å; N66-K76 WeakPolarHBondContact ND2-CG 3.49Å
67I97.1Very high96.2Very high52 Ų5253.2 Ų53.227%0.26725%0.254SS..EExtended strand (participates in β ladder)trans-83.6113.2173.5-56.5170.7000108.2V41 A52 Q54 Q70 Y74V41-I67 HydrophobicContact CG1-CD1 3.97Å; V41-I67 HydrophobicContact CG2-CD1 3.83Å; A52-I67 HydrophobicContact CB-CD1 4.43Å; Q54-I67 HydrophobicContact CB-CD1 4.36Å; Q54-I67 HydrophobicContact CB-CG1 3.96Å; I67-Q70 HydrophobicContact CG2-CB 4.25Å; I67-Y74 HydrophobicContact CG1-CD1 4.42Å; I67-Y74 HydrophobicContact CG1-CE1 4.31Å; I67-Y74 HydrophobicContact CG2-CE1 4.34Å
68V96.1Very high96.1Very high70 Ų7055.8 Ų55.842%0.42427%0.265SS..EExtended strand (participates in β ladder)trans-93.8-51.3172-173.10000109N66 K73 N75N66-V68 PolarHBondContact O-N 3.05Å; V68-K73 WeakPolarHBondContact CA-O 3.47Å; V68-K73 HydrophobicContact CB-CB 4.24Å; V68-K73 HydrophobicContact CB-CD 4.41Å; V68-K73 HydrophobicContact CB-CG 4.11Å; V68-K73 WeakPolarHBondContact CB-O 3.38Å; V68-K73 HydrophobicContact CG1-CD 4.21Å; V68-K73 HydrophobicContact CG1-CG 4.46Å; V68-K73 HydrophobicContact CG2-CG 4.47Å; V68-K73 PolarHBondContact N-O 2.94Å; V68-N75 HydrophobicContact CG2-CB 4.12Å; V68-N75 WeakPolarHBondContact CG2-ND2 3.39Å
69I94.2Very high96.1Very high88 Ų8858.8 Ų58.845%0.45128%0.281SS..EExtended strand (participates in β ladder)trans-136117.7172.7-51.6174.9000106.7K71 K72 K73I69-K71 PolarHBondContact O-N 3.08Å; I69-K72 HydrophobicContact CB-CB 3.99Å; I69-K72 HydrophobicContact CG2-CB 3.78Å; I69-K72 HydrophobicContact CG2-CD 3.92Å; I69-K72 HydrophobicContact CG2-CG 4.25Å; I69-K72 PolarHBondContact O-N 3.18Å; I69-K73 HydrophobicContact CB-CB 4.09Å; I69-K73 HydrophobicContact CD1-CB 4.34Å; I69-K73 HydrophobicContact CG1-CB 4.21Å; I69-K73 PolarHBondContact N-O 2.96Å; I69-K73 PolarHBondContact O-N 2.91Å
70Q91.1Very high96.1Very high128 Ų12858.1 Ų58.160%0.59828%0.277SS*.THydrogen-bonded Turntrans-53.1129.7-176.2-166178.420.300111I67 K72I67-Q70 HydrophobicContact CG2-CB 4.25Å; Q70-K72 PolarHBondContact O-N 2.94Å
71K88.6Confident96.1Very high167 Ų16758.9 Ų58.973%0.72628%0.284SS*.THydrogen-bonded Turntrans59.99.1-178.2-61.7-179.9178.2-175.40116.1I69 Y74I69-K71 PolarHBondContact O-N 3.08Å; K71-Y74 WeakPolarHBondContact CA-OH 3.35Å; K71-Y74 PolarHBondContact N-OH 3.4Å; K71-Y74 VanDerWaalsContact N-OH 3.08Å
72K93.4Very high96Very high158 Ų15858.5 Ų58.569%0.68728%0.282SS*.THydrogen-bonded Turntrans-127.5-42.5-178.6-70.5-175.5178.2-177.30113.4I69 Q70I69-K72 HydrophobicContact CB-CB 3.99Å; I69-K72 HydrophobicContact CG2-CB 3.78Å; I69-K72 HydrophobicContact CG2-CD 3.92Å; I69-K72 HydrophobicContact CG2-CG 4.25Å; I69-K72 PolarHBondContact O-N 3.18Å; Q70-K72 PolarHBondContact O-N 2.94Å
73K96.3Very high95.7Very high115 Ų11561.6 Ų61.650%0.530%0.297SS..EExtended strand (participates in β ladder)trans-147126.4-173.6-169.5174.5-178.4176.70112C21 V68 I69C21-K73 CarbonylContact O-C 3.56Å; C21-K73 WeakPolarHBondContact O-CA 3.31Å; V68-K73 WeakPolarHBondContact CA-O 3.47Å; V68-K73 HydrophobicContact CB-CB 4.24Å; V68-K73 HydrophobicContact CB-CD 4.41Å; V68-K73 HydrophobicContact CB-CG 4.11Å; V68-K73 WeakPolarHBondContact CB-O 3.38Å; V68-K73 HydrophobicContact CG1-CD 4.21Å; V68-K73 HydrophobicContact CG1-CG 4.46Å; V68-K73 HydrophobicContact CG2-CG 4.47Å; V68-K73 PolarHBondContact N-O 2.94Å; I69-K73 HydrophobicContact CB-CB 4.09Å; I69-K73 HydrophobicContact CD1-CB 4.34Å; I69-K73 HydrophobicContact CG1-CB 4.21Å; I69-K73 PolarHBondContact N-O 2.96Å; I69-K73 PolarHBondContact O-N 2.91Å
74Y97.4Very high95.4Very high6 Ų664.1 Ų64.12%0.02431%0.31CS..EExtended strand (participates in β ladder)trans-124.9155.5175.1-51.1-47.7000109.9C21 F22 Q54 F56 N66 I67 K71C21-Y74 HydrophobicContact CB-CD2 3.31Å; C21-Y74 HydrophobicContact CB-CE2 3.46Å; C21-Y74 VanDerWaalsContact CB-CE2 3.46Å; C21-Y74 HydrophobicContact CB-CG 4.27Å; C21-Y74 PolarHBondContact O-N 2.99Å; F22-Y74 HydrophobicContact CE2-CD2 4.37Å; F22-Y74 HydrophobicContact CZ-CD2 4.38Å; Q54-Y74 HydrophobicContact CB-CD1 4.17Å; Q54-Y74 HydrophobicContact CB-CE1 3.89Å; Q54-Y74 HydrophobicContact CG-CD2 4.5Å; Q54-Y74 HydrophobicContact CG-CE1 4.06Å; Q54-Y74 HydrophobicContact CG-CE2 3.98Å; F56-Y74 HydrophobicContact CE2-CD2 4.19Å; F56-Y74 HydrophobicContact CE2-CE2 4.23Å; F56-Y74 AromaticContact CZ-CD2 3.95Å; F56-Y74 HydrophobicContact CZ-CD2 3.95Å; F56-Y74 AromaticContact CZ-CE2 3.56Å; F56-Y74 HydrophobicContact CZ-CE2 3.56Å; N66-Y74 WeakPolarHBondContact O-CA 3.29Å; I67-Y74 HydrophobicContact CG1-CD1 4.42Å; I67-Y74 HydrophobicContact CG1-CE1 4.31Å; I67-Y74 HydrophobicContact CG2-CE1 4.34Å; K71-Y74 WeakPolarHBondContact CA-OH 3.35Å; K71-Y74 PolarHBondContact N-OH 3.4Å; K71-Y74 VanDerWaalsContact N-OH 3.08Å
75N96.6Very high95.3Very high69 Ų6964.1 Ų64.137%0.36931%0.311SS..EExtended strand (participates in β ladder)trans-141.6177172.775.422.2000111.1G65 N66 V68G65-N75 CarbonylContact C-O 3.59Å; G65-N75 WeakPolarHBondContact CA-O 3.41Å; N66-N75 VanDerWaalsContact CB-OD1 3.22Å; N66-N75 WeakPolarHBondContact CB-OD1 3.39Å; N66-N75 PolarHBondContact N-O 3.33Å; N66-N75 PolarHBondContact ND2-OD1 3.22Å; N66-N75 PolarHBondContact O-N 3.43Å; N66-N75 VanDerWaalsContact O-N 3.13Å; V68-N75 HydrophobicContact CG2-CB 4.12Å; V68-N75 WeakPolarHBondContact CG2-ND2 3.39Å
76K95.6Very high95.2Very high102 Ų10265.8 Ų65.844%0.44332%0.321SS..EExtended strand (participates in β ladder)trans51.659.1-176.2-64.7-74.7-172.1167.80110.6N66 H78N66-K76 WeakPolarHBondContact ND2-CG 3.49Å; K76-H78 PolarHBondContact O-CD2 3.12Å; K76-H78 PolarHBondContact O-N 3.2Å
77Q97.8Very high95.2Very high35 Ų3564.6 Ų64.616%0.16432%0.315CS..EExtended strand (participates in β ladder)trans-65.2126.9179.1-168.7-166.842.100109.4F22 Q27 V63 I79F22-Q77 HydrophobicContact CD1-CB 3.62Å; F22-Q77 HydrophobicContact CD1-CG 3.88Å; F22-Q77 HydrophobicContact CD2-CG 4.26Å; F22-Q77 HydrophobicContact CE1-CB 3.68Å; F22-Q77 HydrophobicContact CE1-CG 3.77Å; F22-Q77 HydrophobicContact CE2-CG 4.18Å; F22-Q77 HydrophobicContact CG-CB 4.23Å; F22-Q77 HydrophobicContact CG-CG 4.12Å; F22-Q77 HydrophobicContact CZ-CB 4.36Å; F22-Q77 HydrophobicContact CZ-CG 3.93Å; Q27-Q77 PolarHBondContact O-NE2 3.22Å; V63-Q77 HydrophobicContact CG1-CG 3.84Å; Q77-I79 HydrophobicContact CG-CG1 4.23Å
78H96.9Very high95.2Very high54 Ų5465.6 Ų65.625%0.2532%0.32CS..EExtended strand (participates in β ladder)trans-116.6126.3172.2-64.4-75.9000108.6V63 Y64 K76V63-H78 CarbonylContact C-O 3.48Å; V63-H78 VanDerWaalsContact CA-O 3.24Å; V63-H78 WeakPolarHBondContact CA-O 3.44Å; Y64-H78 HydrophobicContact CD1-CB 3.72Å; Y64-H78 HydrophobicContact CD2-CB 4.4Å; Y64-H78 AromaticContact CD2-CD2 3.92Å; Y64-H78 HydrophobicContact CE1-CB 3.31Å; Y64-H78 AromaticContact CE1-CG 3.91Å; Y64-H78 HydrophobicContact CE2-CB 4.07Å; Y64-H78 AromaticContact CE2-CD2 3.31Å; Y64-H78 WeakPolarHBondContact CE2-CD2 3.48Å; Y64-H78 AromaticContact CE2-CG 3.87Å; Y64-H78 HydrophobicContact CG-CB 4.24Å; Y64-H78 AromaticContact CZ-CD2 3.47Å; Y64-H78 VanDerWaalsContact CZ-CD2 3.47Å; Y64-H78 AromaticContact CZ-CG 3.53Å; Y64-H78 PolarHBondContact N-O 2.87Å; Y64-H78 PolarHBondContact O-N 3.43Å; K76-H78 PolarHBondContact O-CD2 3.12Å; K76-H78 PolarHBondContact O-N 3.2Å
79I97.5Very high95.2Very high64 Ų6466 Ų6633%0.32833%0.326SS..EExtended strand (participates in β ladder)trans-114.1124.6178.4-59.3178000108.1Q27 L29 I61 V63 Q77Q27-I79 HydrophobicContact CB-CD1 3.85Å; L29-I79 HydrophobicContact CD2-CD1 3.73Å; L29-I79 HydrophobicContact CD2-CG1 4.33Å; I61-I79 HydrophobicContact CB-CG2 4.11Å; I61-I79 HydrophobicContact CD1-CG2 3.86Å; I61-I79 HydrophobicContact CG2-CG2 4.07Å; V63-I79 HydrophobicContact CG1-CG1 4.35Å; V63-I79 HydrophobicContact CG2-CG1 4.13Å; V63-I79 HydrophobicContact CG2-CG2 4.49Å; Q77-I79 HydrophobicContact CG-CG1 4.23Å
80I96.9Very high95.3Very high16 Ų1663.6 Ų63.68%0.08231%0.314CS..EExtended strand (participates in β ladder)trans-121.3117-179-59.6171.1000108.3I61 L62 Y64 L82 V85 T104 F109I61-I80 CarbonylContact C-O 3.54Å; I61-I80 VanDerWaalsContact CA-O 3.29Å; I61-I80 WeakPolarHBondContact CA-O 3.5Å; L62-I80 HydrophobicContact CB-CB 4.4Å; L62-I80 PolarHBondContact N-O 3.36Å; L62-I80 PolarHBondContact O-N 3.01Å; Y64-I80 HydrophobicContact CD1-CD1 4.33Å; Y64-I80 HydrophobicContact CE1-CD1 3.78Å; I80-L82 PolarHBondContact O-N 3.19Å; I80-V85 HydrophobicContact CG2-CG2 3.49Å; I80-V85 VanDerWaalsContact CG2-CG2 3.49Å; I80-T104 HydrophobicContact CD1-CG2 4.28Å; I80-T104 HydrophobicContact CG2-CG2 3.66Å; I80-F109 HydrophobicContact CD1-CE1 4.19Å; I80-F109 HydrophobicContact CD1-CZ 4.25Å
81P95.8Very high95.5Very high54 Ų5465.8 Ų65.835%0.35132%0.324SS..EExtended strand (participates in β ladder)trans-60.1127.2170.2-22.233.7000111.1E83 N84P81-E83 HydrophobicContact CB-CG 4.02Å; P81-E83 PolarHBondContact O-N 3.45Å; P81-N84 PolarHBondContact O-N 3.04Å; P81-N84 VanDerWaalsContact O-N 3.09Å
82L95.9Very high95.7Very high0 Ų061.2 Ų61.20%031%0.308CS..G310 helixtrans-65.5-26.9-177.5-75.6-176.4000112.8L57 F58 D60 L62 I80 N84 V85 C129 V130 L133L57-L82 HydrophobicContact CD1-CD1 3.86Å; L57-L82 HydrophobicContact CD1-CD2 4.05Å; F58-L82 VanDerWaalsContact O-CD1 3.27Å; F58-L82 WeakPolarHBondContact O-CD1 3.34Å; D60-L82 WeakPolarHBondContact O-CB 3.19Å; D60-L82 PolarHBondContact O-N 2.98Å; L62-L82 HydrophobicContact CB-CD2 3.87Å; I80-L82 PolarHBondContact O-N 3.19Å; L82-N84 PolarHBondContact O-N 3.07Å; L82-V85 HydrophobicContact CD2-CB 4.41Å; L82-V85 HydrophobicContact CD2-CG2 4.16Å; L82-V85 WeakPolarHBondContact O-CB 3.4Å; L82-V85 PolarHBondContact O-N 2.94Å; L82-C129 HydrophobicContact CD1-CB 3.53Å; L82-V130 HydrophobicContact CB-CG2 4.11Å; L82-V130 WeakPolarHBondContact O-CG2 3.49Å; L82-L133 HydrophobicContact CB-CD1 3.55Å; L82-L133 HydrophobicContact CD1-CD1 4.31Å
83E92.1Very high95.4Very high67 Ų6760.6 Ų60.631%0.31331%0.307SS..G310 helixtrans-57-21.6173.660.8175.9-144.100113.5P81 K139P81-E83 HydrophobicContact CB-CG 4.02Å; P81-E83 PolarHBondContact O-N 3.45Å; E83-K139 IonicContact OE1-NZ 3.27Å; E83-K139 PolarHBondContact OE1-NZ 3.24Å; E83-K139 IonicContact OE2-NZ 3.81Å; E83-K139 PolarHBondContact OE2-NZ 2.58Å
84N92.1Very high94.9Very high53 Ų5358.4 Ų58.428%0.28332%0.317SS..G310 helixtrans-100.46.5179-65.3-36.6000113.4P81 L82 P105P81-N84 PolarHBondContact O-N 3.04Å; P81-N84 VanDerWaalsContact O-N 3.09Å; L82-N84 PolarHBondContact O-N 3.07Å; N84-P105 HydrophobicContact CB-CG 4.19Å; N84-P105 WeakPolarHBondContact O-CD 3.35Å
85V95.3Very high94.2Very high6 Ų666.1 Ų66.14%0.03636%0.359CS..  trans-102.4127.7-175.2175.80000110.7I80 L82 I87 I102 K103 T104 I126I80-V85 HydrophobicContact CG2-CG2 3.49Å; I80-V85 VanDerWaalsContact CG2-CG2 3.49Å; L82-V85 HydrophobicContact CD2-CB 4.41Å; L82-V85 HydrophobicContact CD2-CG2 4.16Å; L82-V85 WeakPolarHBondContact O-CB 3.4Å; L82-V85 PolarHBondContact O-N 2.94Å; V85-I87 HydrophobicContact CG1-CG2 3.91Å; V85-I102 HydrophobicContact CG1-CG2 4.1Å; V85-K103 WeakPolarHBondContact CA-O 3.24Å; V85-T104 HydrophobicContact CG2-CG2 4.18Å; V85-I126 HydrophobicContact CG1-CG2 4.17Å
86T95.5Very high93.7Very high36 Ų3666.2 Ų66.222%0.22136%0.359CS..EExtended strand (participates in β ladder)trans-118.9151.6159.663.60000109.2K103 H145T86-K103 PolarHBondContact N-O 2.86Å; T86-K103 VanDerWaalsContact N-O 3.11Å; T86-K103 PolarHBondContact O-N 3.22Å; T86-K103 WeakPolarHBondContact OG1-CB 3.39Å; T86-H145 PolarHBondContact OG1-CE1 2.94Å; T86-H145 PolarHBondContact OG1-NE2 2.96Å
87I97.1Very high93.7Very high17 Ų1768.5 Ų68.59%0.08737%0.365CS..EExtended strand (participates in β ladder)trans-131.4144-17962.4173.9000111.4V85 L101 I102 M123 I126 N127V85-I87 HydrophobicContact CG1-CG2 3.91Å; I87-L101 WeakPolarHBondContact CA-O 3.42Å; I87-L101 WeakPolarHBondContact CB-O 3.16Å; I87-I102 HydrophobicContact CG2-CG1 4.33Å; I87-M123 HydrophobicContact CD1-CB 3.83Å; I87-M123 HydrophobicContact CD1-CE 3.94Å; I87-M123 HydrophobicContact CD1-CG 4.02Å; I87-M123 HydrophobicContact CG1-CE 4.2Å; I87-I126 HydrophobicContact CD1-CB 4.1Å; I87-I126 HydrophobicContact CD1-CG2 4Å; I87-I126 HydrophobicContact CG2-CG2 3.99Å; I87-N127 WeakPolarHBondContact CD1-OD1 3.3Å; I87-N127 WeakPolarHBondContact CG1-OD1 3.41Å
88D96.8Very high93.7Very high73 Ų7368.1 Ų68.139%0.3936%0.364SS..EExtended strand (participates in β ladder)trans-135.1135.5176.1-68.9-57.3000110.5W100 L101 K103D88-W100 CarbonylContact O-C 3.52Å; D88-W100 VanDerWaalsContact O-CA 3.26Å; D88-W100 WeakPolarHBondContact O-CA 3.31Å; D88-W100 VanDerWaalsContact O-CB 3.31Å; D88-W100 WeakPolarHBondContact O-CB 3.49Å; D88-L101 HydrophobicContact CB-CB 4.44Å; D88-L101 PolarHBondContact N-O 2.97Å; D88-L101 PolarHBondContact O-N 3.09Å; D88-K103 WeakPolarHBondContact OD2-CE 3.26Å; D88-K103 IonicContact OD2-NZ 3.13Å; D88-K103 PolarHBondContact OD2-NZ 3.16Å
89S97.5Very high93.7Very high77 Ų7765.6 Ų65.654%0.53835%0.352SS..EExtended strand (participates in β ladder)trans-65.3137.6175.6-1780000110.6K119S89-K119 WeakPolarHBondContact OG-CE 3.33Å; S89-K119 PolarHBondContact OG-NZ 3.38Å
90I96.1Very high93.8Very high38 Ų3862.6 Ų62.620%0.19534%0.337CS..PPolyproline II helixtrans-96.2137.2168.7-61.1167.4000107.6G99 L101 A110 K119I90-G99 PolarHBondContact N-O 3.34Å; I90-L101 HydrophobicContact CD1-CD2 3.81Å; I90-L101 HydrophobicContact CD1-CG 3.91Å; I90-L101 HydrophobicContact CG1-CD2 4.35Å; I90-L101 HydrophobicContact CG1-CG 3.92Å; I90-A110 HydrophobicContact CD1-CB 3.57Å; I90-K119 PolarHBondContact O-NZ 3.2Å; I90-K119 VanDerWaalsContact O-NZ 3.16Å
91Q93.9Very high93.8Very high175 Ų17563.5 Ų63.582%0.81834%0.342SS*.PPolyproline II helixtrans-70.5141.4172.6-67.9-178.2-200109.9E93Q91-E93 PolarHBondContact O-N 3.38Å
92D93.2Very high93.9Very high71 Ų7161 Ų6138%0.3833%0.325SS..PPolyproline II helixtrans-64.6129.8177-72.5-1.6000109.8R97 N98D92-R97 HydrophobicContact CB-CB 4.49Å; D92-R97 HydrophobicContact CB-CG 4.22Å; D92-R97 WeakPolarHBondContact OD1-CA 3.38Å; D92-R97 IonicContact OD2-CZ 3.65Å; D92-R97 IonicContact OD2-NE 3.1Å; D92-R97 PolarHBondContact OD2-NE 3.32Å; D92-R97 IonicContact OD2-NH2 2.58Å; D92-R97 PolarHBondContact OD2-NH2 3.45Å; D92-N98 PolarHBondContact OD1-N 3.47Å
93E86.4Confident94Very high144 Ų14463.5 Ų63.567%0.67334%0.336SS*.BIsolated β-bridgetrans-138.6117.8178.8-168.9-179.4159.300109.8Q91 D95 L96Q91-E93 PolarHBondContact O-N 3.38Å; E93-D95 PolarHBondContact O-N 2.84Å; E93-L96 PolarHBondContact N-O 2.81Å; E93-L96 VanDerWaalsContact N-O 3.11Å; E93-L96 WeakPolarHBondContact O-CB 3.47Å; E93-L96 PolarHBondContact O-N 3.1Å
94G85.7Confident94.1Very high69 Ų6960.4 Ų60.471%0.71132%0.322SS*.THydrogen-bonded Turntrans56.2-126.9-174.900000112.3L96G94-L96 VanDerWaalsContact C-N 3.31Å
95D83.9Confident94.2Very high169 Ų16958.9 Ų58.990%0.90432%0.315SS*.THydrogen-bonded Turntrans-80.9-10.7179.2-61.2-36.8000113.3E93 R97E93-D95 PolarHBondContact O-N 2.84Å; D95-R97 PolarHBondContact O-N 3.28Å
96L86.6Confident94.1Very high70 Ų7062.7 Ų62.737%0.36634%0.338SS..BIsolated β-bridgetrans-86.695.3-179.5-67.6179000109.8L45 E93 G94 Y112L45-L96 HydrophobicContact CD1-CD1 4.48Å; E93-L96 PolarHBondContact N-O 2.81Å; E93-L96 VanDerWaalsContact N-O 3.11Å; E93-L96 WeakPolarHBondContact O-CB 3.47Å; E93-L96 PolarHBondContact O-N 3.1Å; G94-L96 VanDerWaalsContact C-N 3.31Å; L96-Y112 HydrophobicContact CB-CD1 4.36Å; L96-Y112 HydrophobicContact CB-CE1 3.65Å; L96-Y112 HydrophobicContact CD2-CE1 4.33Å; L96-Y112 HydrophobicContact CG-CE1 4.47Å
97R95.2Very high94Very high151 Ų15165.2 Ų65.257%0.5735%0.346SS*.  trans-120.6153.3-177-53.9-164.969.2-175.83.8112.7D92 D95 Y112D92-R97 HydrophobicContact CB-CB 4.49Å; D92-R97 HydrophobicContact CB-CG 4.22Å; D92-R97 WeakPolarHBondContact OD1-CA 3.38Å; D92-R97 IonicContact OD2-CZ 3.65Å; D92-R97 IonicContact OD2-NE 3.1Å; D92-R97 PolarHBondContact OD2-NE 3.32Å; D92-R97 IonicContact OD2-NH2 2.58Å; D92-R97 PolarHBondContact OD2-NH2 3.45Å; D95-R97 PolarHBondContact O-N 3.28Å; R97-Y112 WeakPolarHBondContact O-CD1 3.23Å
98N97.6Very high94Very high27 Ų2764.8 Ų64.814%0.14435%0.345CS..SBendtrans64.438.7178.4-39.1-57.5000112.8D92 A113 A116 K119D92-N98 PolarHBondContact OD1-N 3.47Å; N98-A113 PolarHBondContact O-N 2.88Å; N98-A116 WeakPolarHBondContact OD1-CA 3.27Å; N98-A116 WeakPolarHBondContact OD1-CB 3.47Å; N98-A116 PolarHBondContact OD1-N 3.31Å; N98-K119 VanDerWaalsContact C-CD 3.43Å; N98-K119 HydrophobicContact CB-CB 4.06Å; N98-K119 HydrophobicContact CB-CD 4.14Å
99G97.6Very high94Very high1 Ų161.5 Ų61.51%0.0133%0.327CS..EExtended strand (participates in β ladder)trans-92.1152.2179.300000115I90 V111 Y112 K119I90-G99 PolarHBondContact N-O 3.34Å; G99-V111 CarbonylContact C-O 3.6Å; G99-V111 VanDerWaalsContact CA-O 3.23Å; G99-V111 WeakPolarHBondContact CA-O 3.29Å; G99-Y112 VanDerWaalsContact CA-CD1 3.43Å; G99-K119 VanDerWaalsContact O-CE 3.25Å; G99-K119 WeakPolarHBondContact O-CE 3.43Å; G99-K119 PolarHBondContact O-NZ 3.5Å
100W98.3Very high94Very high0 Ų058.2 Ų58.20%031%0.305CS..EExtended strand (participates in β ladder)trans-147.2157.8163.768.9100.9000111.1L42 D88 A110 V111 A113 K119 W122 M123L42-W100 HydrophobicContact CD1-CH2 3.7Å; L42-W100 HydrophobicContact CD1-CZ2 3.62Å; L42-W100 HydrophobicContact CD2-CH2 3.7Å; L42-W100 HydrophobicContact CD2-CZ2 4.46Å; L42-W100 HydrophobicContact CG-CH2 4.34Å; D88-W100 CarbonylContact O-C 3.52Å; D88-W100 VanDerWaalsContact O-CA 3.26Å; D88-W100 WeakPolarHBondContact O-CA 3.31Å; D88-W100 VanDerWaalsContact O-CB 3.31Å; D88-W100 WeakPolarHBondContact O-CB 3.49Å; W100-A110 WeakPolarHBondContact O-CA 3.4Å; W100-V111 HydrophobicContact CD2-CG2 3.62Å; W100-V111 HydrophobicContact CE3-CG2 4.12Å; W100-V111 HydrophobicContact CG-CG2 4.13Å; W100-V111 HydrophobicContact CH2-CG2 3.97Å; W100-V111 HydrophobicContact CZ2-CG2 3.42Å; W100-V111 VanDerWaalsContact CZ2-CG2 3.42Å; W100-V111 HydrophobicContact CZ3-CG2 4.27Å; W100-V111 PolarHBondContact N-O 3.11Å; W100-V111 PolarHBondContact O-N 3.24Å; W100-A113 HydrophobicContact CH2-CB 4.12Å; W100-A113 HydrophobicContact CZ3-CB 3.8Å; W100-K119 HydrophobicContact CE3-CB 4.18Å; W100-K119 HydrophobicContact CE3-CD 4.29Å; W100-K119 HydrophobicContact CE3-CG 3.84Å; W100-K119 HydrophobicContact CZ3-CB 3.91Å; W100-K119 HydrophobicContact CZ3-CG 4.1Å; W100-W122 HydrophobicContact CH2-CB 3.86Å; W100-W122 HydrophobicContact CH2-CG 4.11Å; W100-W122 HydrophobicContact CZ2-CB 3.71Å; W100-W122 HydrophobicContact CZ2-CG 4.12Å; W100-M123 HydrophobicContact CB-CE 4Å; W100-M123 HydrophobicContact CB-CG 4.26Å; W100-M123 HydrophobicContact CB-SD 3.69Å; W100-M123 HydrophobicContact CD2-CG 4.02Å; W100-M123 HydrophobicContact CD2-SD 4.42Å; W100-M123 HydrophobicContact CG-CE 4.48Å; W100-M123 HydrophobicContact CG-CG 3.9Å; W100-M123 HydrophobicContact CG-SD 4Å
101L97.9Very high94.1Very high36 Ų3656.4 Ų56.419%0.18830%0.295CS..EExtended strand (participates in β ladder)trans-87136.9172.3-67.5177.5000109.9I87 D88 I90 K103 A110 V148I87-L101 WeakPolarHBondContact CA-O 3.42Å; I87-L101 WeakPolarHBondContact CB-O 3.16Å; D88-L101 HydrophobicContact CB-CB 4.44Å; D88-L101 PolarHBondContact N-O 2.97Å; D88-L101 PolarHBondContact O-N 3.09Å; I90-L101 HydrophobicContact CD1-CD2 3.81Å; I90-L101 HydrophobicContact CD1-CG 3.91Å; I90-L101 HydrophobicContact CG1-CD2 4.35Å; I90-L101 HydrophobicContact CG1-CG 3.92Å; L101-K103 HydrophobicContact CB-CG 4.28Å; L101-A110 HydrophobicContact CD2-CB 3.88Å; L101-V148 HydrophobicContact CD1-CG2 4.39Å; L101-V148 HydrophobicContact CD2-CG1 4.22Å; L101-V148 HydrophobicContact CD2-CG2 3.76Å
102I97.9Very high94.3Very high1 Ų149.2 Ų49.21%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-107.5115.6162.2-60.1177.1000106F55 L62 V85 I87 T104 S108 F109 V111F55-I102 HydrophobicContact CE1-CD1 4.44Å; L62-I102 HydrophobicContact CD2-CD1 3.84Å; L62-I102 HydrophobicContact CD2-CG2 4.31Å; V85-I102 HydrophobicContact CG1-CG2 4.1Å; I87-I102 HydrophobicContact CG2-CG1 4.33Å; I102-T104 HydrophobicContact CG2-CG2 4.33Å; I102-S108 CarbonylContact O-C 3.54Å; I102-S108 VanDerWaalsContact O-CA 3.26Å; I102-S108 WeakPolarHBondContact O-CA 3.37Å; I102-F109 HydrophobicContact CB-CE2 4.18Å; I102-F109 HydrophobicContact CB-CZ 4.24Å; I102-F109 HydrophobicContact CD1-CE2 3.94Å; I102-F109 HydrophobicContact CD1-CZ 4.3Å; I102-F109 HydrophobicContact CG2-CZ 4.23Å; I102-F109 PolarHBondContact N-O 3.31Å; I102-F109 PolarHBondContact O-N 3.1Å; I102-V111 HydrophobicContact CD1-CG1 4.21Å; I102-V111 HydrophobicContact CD1-CG2 3.85Å; I102-V111 HydrophobicContact CG1-CG2 4.14Å
103K96.9Very high94.5Very high53 Ų5346.2 Ų46.223%0.2325%0.246CC..EExtended strand (participates in β ladder)trans-109.2132.1-177.1-62.6178174.1178.30110V85 T86 D88 L101 S108 H145V85-K103 WeakPolarHBondContact CA-O 3.24Å; T86-K103 PolarHBondContact N-O 2.86Å; T86-K103 VanDerWaalsContact N-O 3.11Å; T86-K103 PolarHBondContact O-N 3.22Å; T86-K103 WeakPolarHBondContact OG1-CB 3.39Å; D88-K103 WeakPolarHBondContact OD2-CE 3.26Å; D88-K103 IonicContact OD2-NZ 3.13Å; D88-K103 PolarHBondContact OD2-NZ 3.16Å; L101-K103 HydrophobicContact CB-CG 4.28Å; K103-S108 WeakPolarHBondContact CA-OG 3.18Å; K103-H145 HydrophobicContact CB-CB 4.1Å
104T95.5Very high95Very high2 Ų243.3 Ų43.31%0.01225%0.246CC..  trans-142.6160.9178.478.60000110.1I80 V85 I102 T106 K107 S108 H145 A146I80-T104 HydrophobicContact CD1-CG2 4.28Å; I80-T104 HydrophobicContact CG2-CG2 3.66Å; V85-T104 HydrophobicContact CG2-CG2 4.18Å; I102-T104 HydrophobicContact CG2-CG2 4.33Å; T104-T106 PolarHBondContact O-N 3.31Å; T104-T106 PolarHBondContact OG1-OG1 3.29Å; T104-K107 VanDerWaalsContact OG1-C 3.28Å; T104-K107 PolarHBondContact OG1-N 3.07Å; T104-K107 PolarHBondContact OG1-O 2.69Å; T104-S108 PolarHBondContact N-OG 2.87Å; T104-S108 PolarHBondContact O-OG 3.07Å; T104-H145 WeakPolarHBondContact O-CA 3.47Å; T104-A146 PolarHBondContact O-N 2.86Å
105P93.1Very high95.5Very high20 Ų2043 Ų4313%0.1323%0.231CC..SBendtrans-58.9-34.5177.5-24.933.7000113.6N84 E144 S195 Q196N84-P105 HydrophobicContact CB-CG 4.19Å; N84-P105 WeakPolarHBondContact O-CD 3.35Å; P105-E144 WeakPolarHBondContact CA-O 3.24Å; P105-S195 CarbonylContact C-O 3.48Å; P105-Q196 WeakPolarHBondContact O-CG 3.49Å
106T92.8Very high96.2Very high87 Ų8737.9 Ų37.953%0.53421%0.212SC..SBendtrans-91.3-39.9-174.756.40000112.9T104 S195T104-T106 PolarHBondContact O-N 3.31Å; T104-T106 PolarHBondContact OG1-OG1 3.29Å; T106-S195 VanDerWaalsContact CA-O 3.27Å; T106-S195 WeakPolarHBondContact CA-O 3.35Å; T106-S195 WeakPolarHBondContact CG2-O 3.12Å
107K93.9Very high96.7Very high89 Ų8938.5 Ų38.539%0.38722%0.219SC..  trans-157.9121.5-174.3-167.8173.7-170.1167.60112.3T104 F109T104-K107 VanDerWaalsContact OG1-C 3.28Å; T104-K107 PolarHBondContact OG1-N 3.07Å; T104-K107 PolarHBondContact OG1-O 2.69Å; K107-F109 HydrophobicContact CG-CD1 4.29Å
108S96.5Very high96.8Very high7 Ų734.8 Ų34.85%0.04921%0.208CC..BIsolated β-bridgetrans-107.5143.3173.4-56.50000110.9I102 K103 T104 A146I102-S108 CarbonylContact O-C 3.54Å; I102-S108 VanDerWaalsContact O-CA 3.26Å; I102-S108 WeakPolarHBondContact O-CA 3.37Å; K103-S108 WeakPolarHBondContact CA-OG 3.18Å; T104-S108 PolarHBondContact N-OG 2.87Å; T104-S108 PolarHBondContact O-OG 3.07Å; S108-A146 WeakPolarHBondContact CB-O 3.43Å; S108-A146 PolarHBondContact OG-O 2.94Å
109F97.1Very high96.9Very high5 Ų534.8 Ų34.82%0.02221%0.207CC..EExtended strand (participates in β ladder)trans-156.9154.7-177.953.4-89000112.3K44 F55 Y64 I80 I102 K107 V111K44-F109 HydrophobicContact CD-CD2 3.96Å; K44-F109 HydrophobicContact CD-CE2 4.21Å; K44-F109 HydrophobicContact CD-CG 4.38Å; K44-F109 VanDerWaalsContact CE-CG 3.45Å; K44-F109 HydrophobicContact CG-CD2 3.81Å; K44-F109 HydrophobicContact CG-CE2 4.34Å; K44-F109 HydrophobicContact CG-CG 4.42Å; F55-F109 HydrophobicContact CE1-CE2 4.1Å; F55-F109 HydrophobicContact CE1-CZ 4.39Å; F55-F109 HydrophobicContact CZ-CE2 4.03Å; Y64-F109 HydrophobicContact CD1-CZ 4.45Å; Y64-F109 HydrophobicContact CE1-CE1 4.26Å; Y64-F109 AromaticContact CE1-CZ 3.89Å; Y64-F109 HydrophobicContact CE1-CZ 3.89Å; I80-F109 HydrophobicContact CD1-CE1 4.19Å; I80-F109 HydrophobicContact CD1-CZ 4.25Å; I102-F109 HydrophobicContact CB-CE2 4.18Å; I102-F109 HydrophobicContact CB-CZ 4.24Å; I102-F109 HydrophobicContact CD1-CE2 3.94Å; I102-F109 HydrophobicContact CD1-CZ 4.3Å; I102-F109 HydrophobicContact CG2-CZ 4.23Å; I102-F109 PolarHBondContact N-O 3.31Å; I102-F109 PolarHBondContact O-N 3.1Å; K107-F109 HydrophobicContact CG-CD1 4.29Å; F109-V111 HydrophobicContact CD2-CG1 3.67Å; F109-V111 HydrophobicContact CE2-CG1 3.62Å
110A97.3Very high96.9Very high8 Ų837.3 Ų37.37%0.06622%0.224CC..EExtended strand (participates in β ladder)trans-86.9142.6171.400000111.1L45 I90 W100 L101 Y112L45-A110 HydrophobicContact CB-CB 4.24Å; L45-A110 HydrophobicContact CD1-CB 4.07Å; L45-A110 HydrophobicContact CG-CB 4.28Å; L45-A110 PolarHBondContact N-O 2.83Å; I90-A110 HydrophobicContact CD1-CB 3.57Å; W100-A110 WeakPolarHBondContact O-CA 3.4Å; L101-A110 HydrophobicContact CD2-CB 3.88Å; A110-Y112 HydrophobicContact CB-CE2 3.87Å
111V98.1Very high96.9Very high0 Ų042.2 Ų42.20%025%0.247CC..EExtended strand (participates in β ladder)trans-130.1152.6170.1-65.10000110.1L42 T43 K44 F55 G99 W100 I102 F109L42-V111 HydrophobicContact CB-CB 4.33Å; L42-V111 HydrophobicContact CD1-CB 4.32Å; L42-V111 HydrophobicContact CD1-CG2 4.23Å; T43-V111 CarbonylContact O-C 3.57Å; T43-V111 VanDerWaalsContact O-CA 3.29Å; T43-V111 WeakPolarHBondContact O-CA 3.01Å; K44-V111 HydrophobicContact CB-CG1 4.31Å; K44-V111 HydrophobicContact CG-CG1 4.35Å; F55-V111 HydrophobicContact CE1-CG1 4.4Å; F55-V111 HydrophobicContact CE2-CG1 4.25Å; F55-V111 HydrophobicContact CZ-CG1 3.72Å; G99-V111 CarbonylContact C-O 3.6Å; G99-V111 VanDerWaalsContact CA-O 3.23Å; G99-V111 WeakPolarHBondContact CA-O 3.29Å; W100-V111 HydrophobicContact CD2-CG2 3.62Å; W100-V111 HydrophobicContact CE3-CG2 4.12Å; W100-V111 HydrophobicContact CG-CG2 4.13Å; W100-V111 HydrophobicContact CH2-CG2 3.97Å; W100-V111 HydrophobicContact CZ2-CG2 3.42Å; W100-V111 VanDerWaalsContact CZ2-CG2 3.42Å; W100-V111 HydrophobicContact CZ3-CG2 4.27Å; W100-V111 PolarHBondContact N-O 3.11Å; W100-V111 PolarHBondContact O-N 3.24Å; I102-V111 HydrophobicContact CD1-CG1 4.21Å; I102-V111 HydrophobicContact CD1-CG2 3.85Å; I102-V111 HydrophobicContact CG1-CG2 4.14Å; F109-V111 HydrophobicContact CD2-CG1 3.67Å; F109-V111 HydrophobicContact CE2-CG1 3.62Å
112Y98Very high96.9Very high23 Ų2341.6 Ų41.69%0.0924%0.242CC..EExtended strand (participates in β ladder)trans-131.7131.6-178-65.6-104.9000109.2T43 L45 L96 R97 G99 A110T43-Y112 PolarHBondContact N-O 2.91Å; T43-Y112 PolarHBondContact O-N 3.05Å; L45-Y112 HydrophobicContact CD1-CD2 4.31Å; L45-Y112 HydrophobicContact CD1-CE2 3.37Å; L45-Y112 HydrophobicContact CD2-CD2 4.47Å; L45-Y112 HydrophobicContact CD2-CE2 4.25Å; L45-Y112 HydrophobicContact CG-CD2 3.98Å; L45-Y112 HydrophobicContact CG-CE2 3.5Å; L96-Y112 HydrophobicContact CB-CD1 4.36Å; L96-Y112 HydrophobicContact CB-CE1 3.65Å; L96-Y112 HydrophobicContact CD2-CE1 4.33Å; L96-Y112 HydrophobicContact CG-CE1 4.47Å; R97-Y112 WeakPolarHBondContact O-CD1 3.23Å; G99-Y112 VanDerWaalsContact CA-CD1 3.43Å; A110-Y112 HydrophobicContact CB-CE2 3.87Å
113A98.2Very high97Very high8 Ų842.7 Ų42.77%0.06625%0.247CC..  trans-90.7162.1172.800000111.1L42 N98 W100 T115 E118 K119L42-A113 HydrophobicContact CD2-CB 3.95Å; N98-A113 PolarHBondContact O-N 2.88Å; W100-A113 HydrophobicContact CH2-CB 4.12Å; W100-A113 HydrophobicContact CZ3-CB 3.8Å; A113-T115 VanDerWaalsContact C-N 3.31Å; A113-E118 HydrophobicContact CB-CB 3.73Å; A113-K119 HydrophobicContact CB-CB 4.17Å
114A96.2Very high97Very high83 Ų8345.1 Ų45.169%0.68626%0.263SS*.SBendtrans-72.3-30.9178.400000111.4E118A114-E118 WeakPolarHBondContact CA-OE2 3.27Å; A114-E118 VanDerWaalsContact CB-OE2 3.3Å; A114-E118 WeakPolarHBondContact CB-OE2 3.46Å; A114-E118 PolarHBondContact N-OE2 3.43Å
115T97.2Very high97.2Very high64 Ų6448.8 Ų48.839%0.39328%0.28SS..SBendtrans-129.2158.218071.50000113.1A113 T117 E118 K119A113-T115 VanDerWaalsContact C-N 3.31Å; T115-T117 PolarHBondContact O-N 2.83Å; T115-E118 PolarHBondContact N-OE2 3.01Å; T115-E118 VanDerWaalsContact N-OE2 3.16Å; T115-E118 PolarHBondContact O-N 3Å; T115-E118 WeakPolarHBondContact OG1-CB 3.38Å; T115-E118 WeakPolarHBondContact OG1-CG 3.37Å; T115-E118 PolarHBondContact OG1-N 3.04Å; T115-K119 PolarHBondContact O-N 2.94Å; T115-K119 VanDerWaalsContact O-N 3.07Å
116A97.5Very high97.4Very high60 Ų6048 Ų4850%0.49627%0.274SS..Hα-helixtrans-62.4-34.1173.800000112.2N98 K119 S120N98-A116 WeakPolarHBondContact OD1-CA 3.27Å; N98-A116 WeakPolarHBondContact OD1-CB 3.47Å; N98-A116 PolarHBondContact OD1-N 3.31Å; A116-K119 PolarHBondContact O-N 3.44Å; A116-S120 PolarHBondContact O-N 2.98Å; A116-S120 PolarHBondContact O-OG 3.37Å
117T98.1Very high97.6Very high84 Ų8447.6 Ų47.652%0.51527%0.269SS..Hα-helixtrans-64.8-47.8175.4-51.80000111.2T115 K119 S120 E121T115-T117 PolarHBondContact O-N 2.83Å; T117-K119 VanDerWaalsContact C-N 3.33Å; T117-K119 PolarHBondContact O-N 3.03Å; T117-S120 PolarHBondContact O-N 2.79Å; T117-S120 PolarHBondContact O-OG 3.34Å; T117-E121 HydrophobicContact CG2-CG 4.45Å; T117-E121 WeakPolarHBondContact O-CB 3.35Å; T117-E121 WeakPolarHBondContact O-CG 2.99Å; T117-E121 PolarHBondContact O-N 2.94Å
118E98.1Very high97.8Very high72 Ų7249 Ų4934%0.33628%0.275SS..Hα-helixtrans-59.7-44175.5-76.2176.5148.300111.4A113 A114 T115 S120 E121 W122A113-E118 HydrophobicContact CB-CB 3.73Å; A114-E118 WeakPolarHBondContact CA-OE2 3.27Å; A114-E118 VanDerWaalsContact CB-OE2 3.3Å; A114-E118 WeakPolarHBondContact CB-OE2 3.46Å; A114-E118 PolarHBondContact N-OE2 3.43Å; T115-E118 PolarHBondContact N-OE2 3.01Å; T115-E118 VanDerWaalsContact N-OE2 3.16Å; T115-E118 PolarHBondContact O-N 3Å; T115-E118 WeakPolarHBondContact OG1-CB 3.38Å; T115-E118 WeakPolarHBondContact OG1-CG 3.37Å; T115-E118 PolarHBondContact OG1-N 3.04Å; E118-S120 PolarHBondContact O-N 2.87Å; E118-E121 PolarHBondContact O-N 3.37Å; E118-W122 WeakPolarHBondContact O-CB 3.32Å; E118-W122 PolarHBondContact O-N 3.28Å
119K98.3Very high97.8Very high28 Ų2849.1 Ų49.112%0.12228%0.276CS..Hα-helixtrans-55.3-50.9174.4163.6173.9172173.60111.2S89 I90 N98 G99 W100 A113 T115 A116 T117 W122 M123S89-K119 WeakPolarHBondContact OG-CE 3.33Å; S89-K119 PolarHBondContact OG-NZ 3.38Å; I90-K119 PolarHBondContact O-NZ 3.2Å; I90-K119 VanDerWaalsContact O-NZ 3.16Å; N98-K119 VanDerWaalsContact C-CD 3.43Å; N98-K119 HydrophobicContact CB-CB 4.06Å; N98-K119 HydrophobicContact CB-CD 4.14Å; G99-K119 VanDerWaalsContact O-CE 3.25Å; G99-K119 WeakPolarHBondContact O-CE 3.43Å; G99-K119 PolarHBondContact O-NZ 3.5Å; W100-K119 HydrophobicContact CE3-CB 4.18Å; W100-K119 HydrophobicContact CE3-CD 4.29Å; W100-K119 HydrophobicContact CE3-CG 3.84Å; W100-K119 HydrophobicContact CZ3-CB 3.91Å; W100-K119 HydrophobicContact CZ3-CG 4.1Å; A113-K119 HydrophobicContact CB-CB 4.17Å; T115-K119 PolarHBondContact O-N 2.94Å; T115-K119 VanDerWaalsContact O-N 3.07Å; A116-K119 PolarHBondContact O-N 3.44Å; T117-K119 VanDerWaalsContact C-N 3.33Å; T117-K119 PolarHBondContact O-N 3.03Å; K119-W122 PolarHBondContact O-N 2.82Å; K119-M123 HydrophobicContact CG-CG 4.44Å; K119-M123 HydrophobicContact CG-SD 4.03Å; K119-M123 WeakPolarHBondContact O-CB 3.48Å; K119-M123 VanDerWaalsContact O-CG 3.31Å; K119-M123 WeakPolarHBondContact O-CG 3.49Å; K119-M123 PolarHBondContact O-N 3.26Å
120S98.3Very high97.7Very high53 Ų5349.8 Ų49.837%0.37128%0.28SS..Hα-helixtrans-65.6-41-175.668.20000111.5A116 T117 E118 M123 N124A116-S120 PolarHBondContact O-N 2.98Å; A116-S120 PolarHBondContact O-OG 3.37Å; T117-S120 PolarHBondContact O-N 2.79Å; T117-S120 PolarHBondContact O-OG 3.34Å; E118-S120 PolarHBondContact O-N 2.87Å; S120-M123 PolarHBondContact O-N 3.41Å; S120-N124 WeakPolarHBondContact O-CB 3.26Å; S120-N124 PolarHBondContact O-N 2.58Å; S120-N124 PolarHBondContact O-ND2 2.89Å; S120-N124 VanDerWaalsContact O-ND2 3.13Å
121E98.3Very high97.6Very high104 Ų10452.9 Ų52.949%0.48630%0.301SS..Hα-helixtrans-62.9-46.9175.7-72.2-179.3166.600112.3T117 E118 N124 H125T117-E121 HydrophobicContact CG2-CG 4.45Å; T117-E121 WeakPolarHBondContact O-CB 3.35Å; T117-E121 WeakPolarHBondContact O-CG 2.99Å; T117-E121 PolarHBondContact O-N 2.94Å; E118-E121 PolarHBondContact O-N 3.37Å; E121-N124 PolarHBondContact O-N 3Å; E121-H125 WeakPolarHBondContact O-CB 3.34Å; E121-H125 VanDerWaalsContact O-CG 3.24Å; E121-H125 PolarHBondContact O-N 2.99Å; E121-H125 PolarHBondContact O-ND1 3.29Å
122W98.5Very high97.5Very high23 Ų2355.9 Ų55.99%0.08732%0.317CS..Hα-helixtrans-59-50.8176.3-89.4101.5000111.7L42 F55 L57 L62 W100 E118 K119 N124 H125 I126L42-W122 HydrophobicContact CD1-CD2 4.34Å; F55-W122 HydrophobicContact CB-CH2 3.68Å; F55-W122 HydrophobicContact CB-CZ2 4.16Å; F55-W122 HydrophobicContact CB-CZ3 4.27Å; L57-W122 HydrophobicContact CB-CE3 4.42Å; L57-W122 HydrophobicContact CB-CH2 4.18Å; L57-W122 HydrophobicContact CB-CZ3 3.65Å; L62-W122 HydrophobicContact CD1-CZ3 4.02Å; W100-W122 HydrophobicContact CH2-CB 3.86Å; W100-W122 HydrophobicContact CH2-CG 4.11Å; W100-W122 HydrophobicContact CZ2-CB 3.71Å; W100-W122 HydrophobicContact CZ2-CG 4.12Å; E118-W122 WeakPolarHBondContact O-CB 3.32Å; E118-W122 PolarHBondContact O-N 3.28Å; K119-W122 PolarHBondContact O-N 2.82Å; W122-N124 PolarHBondContact O-N 2.65Å; W122-H125 PolarHBondContact O-N 3.42Å; W122-I126 HydrophobicContact CE3-CD1 4.22Å; W122-I126 WeakPolarHBondContact O-CB 3.25Å; W122-I126 VanDerWaalsContact O-CG1 3.24Å; W122-I126 WeakPolarHBondContact O-CG1 3.23Å; W122-I126 PolarHBondContact O-N 2.95Å
123M98.6Very high97.3Very high24 Ų2456.8 Ų56.812%0.11832%0.324CS..Hα-helixtrans-62.8-42.7-179.5-68.7-1717400111.8I87 W100 K119 S120 I126 N127I87-M123 HydrophobicContact CD1-CB 3.83Å; I87-M123 HydrophobicContact CD1-CE 3.94Å; I87-M123 HydrophobicContact CD1-CG 4.02Å; I87-M123 HydrophobicContact CG1-CE 4.2Å; W100-M123 HydrophobicContact CB-CE 4Å; W100-M123 HydrophobicContact CB-CG 4.26Å; W100-M123 HydrophobicContact CB-SD 3.69Å; W100-M123 HydrophobicContact CD2-CG 4.02Å; W100-M123 HydrophobicContact CD2-SD 4.42Å; W100-M123 HydrophobicContact CG-CE 4.48Å; W100-M123 HydrophobicContact CG-CG 3.9Å; W100-M123 HydrophobicContact CG-SD 4Å; K119-M123 HydrophobicContact CG-CG 4.44Å; K119-M123 HydrophobicContact CG-SD 4.03Å; K119-M123 WeakPolarHBondContact O-CB 3.48Å; K119-M123 VanDerWaalsContact O-CG 3.31Å; K119-M123 WeakPolarHBondContact O-CG 3.49Å; K119-M123 PolarHBondContact O-N 3.26Å; S120-M123 PolarHBondContact O-N 3.41Å; M123-I126 PolarHBondContact O-N 3.3Å; M123-N127 WeakPolarHBondContact O-CB 3.31Å; M123-N127 PolarHBondContact O-N 3.47Å; M123-N127 PolarHBondContact O-ND2 2.64Å
124N98.4Very high97Very high104 Ų10457.5 Ų57.556%0.55633%0.326SS*.Hα-helixtrans-63.9-44.6178.4-72.9-20.6000112S120 E121 W122 K128S120-N124 WeakPolarHBondContact O-CB 3.26Å; S120-N124 PolarHBondContact O-N 2.58Å; S120-N124 PolarHBondContact O-ND2 2.89Å; S120-N124 VanDerWaalsContact O-ND2 3.13Å; E121-N124 PolarHBondContact O-N 3Å; W122-N124 PolarHBondContact O-N 2.65Å; N124-K128 VanDerWaalsContact O-CB 3.29Å; N124-K128 WeakPolarHBondContact O-CB 3.23Å; N124-K128 PolarHBondContact O-N 3.26Å
125H98.3Very high96.8Very high79 Ų7957.7 Ų57.737%0.36632%0.322SS..Hα-helixtrans-66.5-41.9177.9-68.3150.3000112.2I37 L57 E121 W122 K128 C129I37-H125 HydrophobicContact CG2-CB 4.14Å; L57-H125 HydrophobicContact CD2-CB 3.45Å; L57-H125 VanDerWaalsContact CD2-CB 3.45Å; E121-H125 WeakPolarHBondContact O-CB 3.34Å; E121-H125 VanDerWaalsContact O-CG 3.24Å; E121-H125 PolarHBondContact O-N 2.99Å; E121-H125 PolarHBondContact O-ND1 3.29Å; W122-H125 PolarHBondContact O-N 3.42Å; H125-K128 PolarHBondContact O-N 2.83Å; H125-C129 WeakPolarHBondContact O-CB 3.26Å; H125-C129 PolarHBondContact O-N 2.65Å; H125-C129 PolarHBondContact O-SG 2.87Å
126I98.1Very high96.5Very high2 Ų261.9 Ų61.91%0.0134%0.335CS..Hα-helixtrans-60.1-52.6175.3-69165.4000110L57 V85 I87 W122 M123 K128 C129 V130L57-I126 HydrophobicContact CD1-CG1 3.93Å; L57-I126 HydrophobicContact CD2-CG1 4.03Å; V85-I126 HydrophobicContact CG1-CG2 4.17Å; I87-I126 HydrophobicContact CD1-CB 4.1Å; I87-I126 HydrophobicContact CD1-CG2 4Å; I87-I126 HydrophobicContact CG2-CG2 3.99Å; W122-I126 HydrophobicContact CE3-CD1 4.22Å; W122-I126 WeakPolarHBondContact O-CB 3.25Å; W122-I126 VanDerWaalsContact O-CG1 3.24Å; W122-I126 WeakPolarHBondContact O-CG1 3.23Å; W122-I126 PolarHBondContact O-N 2.95Å; M123-I126 PolarHBondContact O-N 3.3Å; I126-K128 VanDerWaalsContact C-N 3.28Å; I126-K128 PolarHBondContact O-N 3.41Å; I126-C129 PolarHBondContact O-N 2.72Å; I126-V130 HydrophobicContact CG2-CG2 4.22Å; I126-V130 VanDerWaalsContact O-CG2 3.29Å; I126-V130 WeakPolarHBondContact O-CG2 3.18Å; I126-V130 PolarHBondContact O-N 2.91Å
127N97.4Very high96.1Very high80 Ų8061.8 Ų61.843%0.42833%0.33SS..Hα-helixtrans-57.4-42180-79.7-26.6000112.2I87 M123 S131I87-N127 WeakPolarHBondContact CD1-OD1 3.3Å; I87-N127 WeakPolarHBondContact CG1-OD1 3.41Å; M123-N127 WeakPolarHBondContact O-CB 3.31Å; M123-N127 PolarHBondContact O-N 3.47Å; M123-N127 PolarHBondContact O-ND2 2.64Å; N127-S131 VanDerWaalsContact O-CB 3.3Å; N127-S131 WeakPolarHBondContact O-CB 3.45Å; N127-S131 PolarHBondContact O-N 3.16Å
128K96.8Very high95.5Very high119 Ų11961 Ų6152%0.51734%0.34SS..Hα-helixtrans-62.8-49.7177-176.6175-178174.10111.7N124 H125 I126 V130 S131 D132N124-K128 VanDerWaalsContact O-CB 3.29Å; N124-K128 WeakPolarHBondContact O-CB 3.23Å; N124-K128 PolarHBondContact O-N 3.26Å; H125-K128 PolarHBondContact O-N 2.83Å; I126-K128 VanDerWaalsContact C-N 3.28Å; I126-K128 PolarHBondContact O-N 3.41Å; K128-V130 PolarHBondContact O-N 3.35Å; K128-S131 PolarHBondContact O-N 3.01Å; K128-D132 WeakPolarHBondContact O-CB 3.4Å; K128-D132 VanDerWaalsContact O-CG 3.27Å; K128-D132 PolarHBondContact O-N 3.29Å
129C97.1Very high94.9Very high9 Ų962.8 Ų62.86%0.06135%0.346CS..Hα-helixtrans-61.7-43.2179-68.70000111.9L82 H125 I126 D132 L133L82-C129 HydrophobicContact CD1-CB 3.53Å; H125-C129 WeakPolarHBondContact O-CB 3.26Å; H125-C129 PolarHBondContact O-N 2.65Å; H125-C129 PolarHBondContact O-SG 2.87Å; I126-C129 PolarHBondContact O-N 2.72Å; C129-D132 PolarHBondContact O-N 2.89Å; C129-L133 WeakPolarHBondContact O-CB 3.45Å; C129-L133 VanDerWaalsContact O-CG 3.23Å; C129-L133 WeakPolarHBondContact O-CG 3.46Å; C129-L133 PolarHBondContact O-N 3.07Å
130V95.8Very high94.1Very high19 Ų1967.2 Ų67.212%0.11538%0.376CS..Hα-helixtrans-60.6-47.9175.6174.70000110.9L82 I126 K128 D132 L133 L134L82-V130 HydrophobicContact CB-CG2 4.11Å; L82-V130 WeakPolarHBondContact O-CG2 3.49Å; I126-V130 HydrophobicContact CG2-CG2 4.22Å; I126-V130 VanDerWaalsContact O-CG2 3.29Å; I126-V130 WeakPolarHBondContact O-CG2 3.18Å; I126-V130 PolarHBondContact O-N 2.91Å; K128-V130 PolarHBondContact O-N 3.35Å; V130-D132 PolarHBondContact O-N 3.4Å; V130-L133 PolarHBondContact O-N 2.96Å; V130-L134 HydrophobicContact CG1-CD1 3.83Å; V130-L134 HydrophobicContact CG1-CG 4.27Å; V130-L134 VanDerWaalsContact O-CG 3.3Å; V130-L134 WeakPolarHBondContact O-CG 3.42Å; V130-L134 PolarHBondContact O-N 2.93Å
131S94.9Very high93.2Very high72 Ų7268.1 Ų68.150%0.50338%0.38SS..Hα-helixtrans-61.1-43.9178.5-175.70000112.6N127 K128 L133 L134 S135N127-S131 VanDerWaalsContact O-CB 3.3Å; N127-S131 WeakPolarHBondContact O-CB 3.45Å; N127-S131 PolarHBondContact O-N 3.16Å; K128-S131 PolarHBondContact O-N 3.01Å; S131-L133 VanDerWaalsContact C-N 3.34Å; S131-L133 PolarHBondContact O-N 3.16Å; S131-L134 PolarHBondContact O-N 2.77Å; S131-S135 WeakPolarHBondContact O-CB 3.46Å; S131-S135 PolarHBondContact O-N 3.11Å; S131-S135 PolarHBondContact O-OG 2.81Å
132D94.6Very high92.2Very high63 Ų6364.4 Ų64.434%0.33737%0.366SS..Hα-helixtrans-63.7-37.3177.1-72.3-13.1000111.8K128 C129 V130 S135 K136K128-D132 WeakPolarHBondContact O-CB 3.4Å; K128-D132 VanDerWaalsContact O-CG 3.27Å; K128-D132 PolarHBondContact O-N 3.29Å; C129-D132 PolarHBondContact O-N 2.89Å; V130-D132 PolarHBondContact O-N 3.4Å; D132-S135 WeakPolarHBondContact CA-OG 3.38Å; D132-S135 PolarHBondContact O-OG 3.18Å; D132-K136 WeakPolarHBondContact O-CB 3.03Å; D132-K136 VanDerWaalsContact O-CG 3.24Å; D132-K136 WeakPolarHBondContact O-CG 3.32Å; D132-K136 PolarHBondContact O-N 2.77Å
133L94.1Very high91.3Very high43 Ų4370.7 Ų70.723%0.22540%0.401CS..Hα-helixtrans-70.7-45.2176.8-72.4167000112.5N59 D60 L82 C129 V130 S131 K136 S137N59-L133 WeakPolarHBondContact O-CD1 3.39Å; N59-L133 WeakPolarHBondContact O-CG 3.34Å; D60-L133 HydrophobicContact CB-CD2 4.22Å; L82-L133 HydrophobicContact CB-CD1 3.55Å; L82-L133 HydrophobicContact CD1-CD1 4.31Å; C129-L133 WeakPolarHBondContact O-CB 3.45Å; C129-L133 VanDerWaalsContact O-CG 3.23Å; C129-L133 WeakPolarHBondContact O-CG 3.46Å; C129-L133 PolarHBondContact O-N 3.07Å; V130-L133 PolarHBondContact O-N 2.96Å; S131-L133 VanDerWaalsContact C-N 3.34Å; S131-L133 PolarHBondContact O-N 3.16Å; L133-K136 PolarHBondContact O-N 3.48Å; L133-S137 WeakPolarHBondContact O-CB 3.37Å; L133-S137 PolarHBondContact O-N 3.49Å; L133-S137 PolarHBondContact O-OG 3.39Å
134L91.9Very high90.8Very high23 Ų2374.7 Ų74.712%0.1242%0.42CS..Hα-helixtrans-66.4-40.9-178.7-67.1177.9000110.9V130 S131 K136 S137 G138 K139 P141V130-L134 HydrophobicContact CG1-CD1 3.83Å; V130-L134 HydrophobicContact CG1-CG 4.27Å; V130-L134 VanDerWaalsContact O-CG 3.3Å; V130-L134 WeakPolarHBondContact O-CG 3.42Å; V130-L134 PolarHBondContact O-N 2.93Å; S131-L134 PolarHBondContact O-N 2.77Å; L134-K136 VanDerWaalsContact C-N 3.35Å; L134-K136 PolarHBondContact O-N 3.1Å; L134-S137 PolarHBondContact O-N 3.04Å; L134-S137 PolarHBondContact O-OG 2.81Å; L134-G138 PolarHBondContact O-N 2.81Å; L134-K139 HydrophobicContact CD2-CB 4.07Å; L134-P141 HydrophobicContact CD1-CB 4.21Å; L134-P141 HydrophobicContact CD1-CG 3.74Å
135S92.6Very high90.5Very high86 Ų8672.5 Ų72.560%0.60141%0.406SS*.Hα-helixtrans-62.7-38.3174.859.30000113S131 D132S131-S135 WeakPolarHBondContact O-CB 3.46Å; S131-S135 PolarHBondContact O-N 3.11Å; S131-S135 PolarHBondContact O-OG 2.81Å; D132-S135 WeakPolarHBondContact CA-OG 3.38Å; D132-S135 PolarHBondContact O-OG 3.18Å
136K90.6Very high90.4Very high153 Ų15369.1 Ų69.167%0.66539%0.392SS*.Hα-helixtrans-73.9-32.8177.2-73.7175.9-179.9-175.70113.8D3 D132 L133 L134D3-K136 IonicContact OD1-NZ 3.78Å; D132-K136 WeakPolarHBondContact O-CB 3.03Å; D132-K136 VanDerWaalsContact O-CG 3.24Å; D132-K136 WeakPolarHBondContact O-CG 3.32Å; D132-K136 PolarHBondContact O-N 2.77Å; L133-K136 PolarHBondContact O-N 3.48Å; L134-K136 VanDerWaalsContact C-N 3.35Å; L134-K136 PolarHBondContact O-N 3.1Å
137S89.6Confident90.2Very high57 Ų5770 Ų7040%0.39940%0.4SS..Hα-helixtrans-92.9-17-175.660.30000114.2L133 L134 K139L133-S137 WeakPolarHBondContact O-CB 3.37Å; L133-S137 PolarHBondContact O-N 3.49Å; L133-S137 PolarHBondContact O-OG 3.39Å; L134-S137 PolarHBondContact O-N 3.04Å; L134-S137 PolarHBondContact O-OG 2.81Å; S137-K139 PolarHBondContact O-N 2.86Å; S137-K139 PolarHBondContact OG-N 3.24Å
138G86.3Confident90.1Very high69 Ų6968.7 Ų68.771%0.71139%0.394SS*.THydrogen-bonded Turntrans68.99.9-172.800000114L134L134-G138 PolarHBondContact O-N 2.81Å
139K84.9Confident90.1Very high109 Ų10967.4 Ų67.447%0.47439%0.386SS..PPolyproline II helixtrans-79.6153.1178-67.5-179.7-179.3176.60111.2E83 L134 S137E83-K139 IonicContact OE1-NZ 3.27Å; E83-K139 PolarHBondContact OE1-NZ 3.24Å; E83-K139 IonicContact OE2-NZ 3.81Å; E83-K139 PolarHBondContact OE2-NZ 2.58Å; L134-K139 HydrophobicContact CD2-CB 4.07Å; S137-K139 PolarHBondContact O-N 2.86Å; S137-K139 PolarHBondContact OG-N 3.24Å
140T82.1Confident90Very high121 Ų12168.3 Ų68.374%0.74239%0.391SS*.PPolyproline II helixtrans-87.8153.2169.654.20000111
141P77.8Confident89.9Confident71 Ų7168.4 Ų68.446%0.46139%0.392SS..PPolyproline II helixtrans-56.1142.2171.9-19.528.6000111.7L134 N143L134-P141 HydrophobicContact CD1-CB 4.21Å; L134-P141 HydrophobicContact CD1-CG 3.74Å; P141-N143 PolarHBondContact O-N 2.92Å
142S78.6Confident89.8Confident27 Ų2766.2 Ų66.219%0.18938%0.375CS..PPolyproline II helixtrans-67.1128.6170.4177.50000110.4E144 H145S142-E144 PolarHBondContact OG-N 3.05Å; S142-E144 PolarHBondContact OG-O 3.29Å; S142-H145 PolarHBondContact O-CE1 3.37Å; S142-H145 PolarHBondContact O-NE2 2.79Å
143N79.6Confident89.6Confident154 Ų15467.8 Ų67.882%0.82439%0.391SS*.  trans-98.3-1.2171-74.2-19.5000112.5P141P141-N143 PolarHBondContact O-N 2.92Å
144E86.4Confident89.5Confident108 Ų10871.4 Ų71.451%0.50541%0.407SS..  trans-99.4119.3179.8-167.6-175.1163.700110.5P105 S142 S195P105-E144 WeakPolarHBondContact CA-O 3.24Å; S142-E144 PolarHBondContact OG-N 3.05Å; S142-E144 PolarHBondContact OG-O 3.29Å; E144-S195 VanDerWaalsContact OE1-CB 3.32Å; E144-S195 WeakPolarHBondContact OE1-CB 3.17Å; E144-S195 PolarHBondContact OE1-OG 3.05Å; E144-S195 PolarHBondContact OE2-OG 3.18Å
145H93.4Very high89.6Confident58 Ų5870.6 Ų70.627%0.26940%0.403SS..  trans-132.8141-179.7-53.9-43.3000111.3T86 K103 T104 S142T86-H145 PolarHBondContact OG1-CE1 2.94Å; T86-H145 PolarHBondContact OG1-NE2 2.96Å; K103-H145 HydrophobicContact CB-CB 4.1Å; T104-H145 WeakPolarHBondContact O-CA 3.47Å; S142-H145 PolarHBondContact O-CE1 3.37Å; S142-H145 PolarHBondContact O-NE2 2.79Å
146A95.1Very high89.8Confident8 Ų870.9 Ų70.97%0.06640%0.402CS..PPolyproline II helixtrans-62.2149.6165.200000110T104 S108 Q196T104-A146 PolarHBondContact O-N 2.86Å; S108-A146 WeakPolarHBondContact CB-O 3.43Å; S108-A146 PolarHBondContact OG-O 2.94Å; A146-Q196 HydrophobicContact CB-CG 4.17Å
147A95.6Very high90.2Very high22 Ų2265.4 Ų65.418%0.18238%0.381CS..PPolyproline II helixtrans-67.8145175.600000111.5K177A147-K177 WeakPolarHBondContact CB-O 3.42Å
148V95.3Very high90.6Very high52 Ų5262.7 Ų62.732%0.31536%0.362SS..BIsolated β-bridgetrans-74.3127165.9-177.60000107.4L101L101-V148 HydrophobicContact CD1-CG2 4.39Å; L101-V148 HydrophobicContact CD2-CG1 4.22Å; L101-V148 HydrophobicContact CD2-CG2 3.76Å
149W95.8Very high91.1Very high91 Ų9161.9 Ų61.935%0.34534%0.34SS..PPolyproline II helixtrans-76.9137.1-179.8-72.315000111R47 H174 R176 G179R47-W149 HydrophobicContact CB-CE3 4.49Å; W149-H174 HydrophobicContact CD2-CB 3.55Å; W149-H174 AromaticContact CD2-CD2 3.82Å; W149-H174 AromaticContact CD2-CG 3.64Å; W149-H174 HydrophobicContact CE3-CB 3.53Å; W149-H174 AromaticContact CE3-CD2 3.67Å; W149-H174 AromaticContact CE3-CG 3.28Å; W149-H174 AromaticContact CE3-ND1 3.56Å; W149-H174 HydrophobicContact CG-CB 4.19Å; W149-H174 AromaticContact CG-CD2 3.87Å; W149-H174 HydrophobicContact CH2-CB 3.98Å; W149-H174 HydrophobicContact CZ2-CB 3.99Å; W149-H174 HydrophobicContact CZ3-CB 3.75Å; W149-H174 AromaticContact CZ3-CG 3.75Å; W149-H174 AromaticContact CZ3-ND1 3.75Å; W149-R176 HydrophobicContact CZ2-CG 4.23Å; W149-G179 WeakPolarHBondContact CA-O 3.48Å
150V94.8Very high91.7Very high28 Ų2860 Ų6017%0.1733%0.33CS..PPolyproline II helixtrans-68128.4171.2177.80000108.7E154 M159 H174 G179 F180 V181V150-E154 HydrophobicContact CG1-CB 4.03Å; V150-M159 HydrophobicContact CB-SD 4.2Å; V150-M159 HydrophobicContact CG1-SD 4.1Å; V150-M159 HydrophobicContact CG2-CE 4.1Å; V150-M159 HydrophobicContact CG2-SD 4.04Å; V150-H174 PolarHBondContact O-NE2 3.4Å; V150-G179 PolarHBondContact N-O 2.8Å; V150-F180 HydrophobicContact CG2-CD1 4.22Å; V150-V181 HydrophobicContact CB-CG2 3.98Å; V150-V181 HydrophobicContact CG1-CG2 4.14Å
151P93.6Very high92.5Very high21 Ų2156.3 Ų56.314%0.13631%0.309CS..PPolyproline II helixtrans-57.8145.2175.1-27.237.3000112.9S153 E154P151-S153 PolarHBondContact O-N 2.85Å; P151-E154 HydrophobicContact CB-CG 4.28Å; P151-E154 WeakPolarHBondContact CG-OE1 3.24Å; P151-E154 PolarHBondContact O-N 2.86Å
152D93.6Very high93.4Very high26 Ų2658.8 Ų58.814%0.13931%0.314CS..G310 helixtrans-61.2-33.8-178-72.5-29.9000112.3R47 E154 A155 R172 H174R47-D152 WeakPolarHBondContact O-CB 3.44Å; R47-D152 PolarHBondContact O-N 3.48Å; D152-E154 PolarHBondContact O-N 3.15Å; D152-A155 PolarHBondContact O-N 3.41Å; D152-R172 PolarHBondContact O-NE 3.43Å; D152-R172 VanDerWaalsContact O-NE 3.13Å; D152-R172 PolarHBondContact O-NH2 3.44Å; D152-R172 VanDerWaalsContact OD1-CD 3.31Å; D152-R172 WeakPolarHBondContact OD1-CD 3.37Å; D152-H174 IonicContact OD1-CE1 2.71Å; D152-H174 PolarHBondContact OD1-CE1 3.11Å; D152-H174 IonicContact OD1-NE2 3.9Å
153S90.7Very high94.3Very high96 Ų9666.3 Ų66.367%0.67134%0.343SS*.G310 helixtrans-66.1-24.8177.552.20000113.4P151P151-S153 PolarHBondContact O-N 2.85Å
154E91.2Very high95.1Very high120 Ų12060.1 Ų60.156%0.56131%0.314SS*.G310 helixtrans-86.8-13.4179-68175.5-149.700112.4V150 P151 D152V150-E154 HydrophobicContact CG1-CB 4.03Å; P151-E154 HydrophobicContact CB-CG 4.28Å; P151-E154 WeakPolarHBondContact CG-OE1 3.24Å; P151-E154 PolarHBondContact O-N 2.86Å; D152-E154 PolarHBondContact O-N 3.15Å
155A94.8Very high95.7Very high5 Ų562.4 Ų62.44%0.04132%0.322CS..  trans-116.897.3-17900000111.3D152 F166 R172 V181D152-A155 PolarHBondContact O-N 3.41Å; A155-F166 HydrophobicContact CB-CE2 4.33Å; A155-F166 WeakPolarHBondContact O-CD2 3.49Å; A155-R172 PolarHBondContact O-NE 2.92Å; A155-R172 PolarHBondContact O-NH2 3.2Å; A155-V181 HydrophobicContact CB-CB 3.5Å; A155-V181 HydrophobicContact CB-CG1 3.98Å; A155-V181 HydrophobicContact CB-CG2 3.46Å; A155-V181 VanDerWaalsContact CB-CG2 3.46Å
156T96.3Very high95.9Very high93 Ų9360.5 Ų60.557%0.57131%0.313SS*.SBendtrans-86.7-20.4173.357.40000112.7F166T156-F166 PolarHBondContact O-N 3.26Å
157V97.9Very high95.8Very high37 Ų3763.4 Ų63.422%0.22433%0.33CS..BIsolated β-bridgetrans-131157177.3-65.40000111.2M159 A164 K165 F166V157-M159 PolarHBondContact O-N 2.71Å; V157-A164 CarbonylContact C-O 3.55Å; V157-A164 VanDerWaalsContact CA-O 3.31Å; V157-A164 WeakPolarHBondContact CA-O 3.29Å; V157-K165 HydrophobicContact CG1-CG 3.88Å; V157-F166 WeakPolarHBondContact O-CE2 3.34Å
158C98.3Very high95.6Very high0 Ų068 Ų680%036%0.358CS..  trans-60.6124175.8172.20000111.5R160 Q162 A164 F166 C183C158-R160 PolarHBondContact O-N 2.99Å; C158-R160 VanDerWaalsContact O-N 3.08Å; C158-R160 PolarHBondContact SG-N 2.87Å; C158-R160 VanDerWaalsContact SG-N 3.4Å; C158-Q162 VanDerWaalsContact O-CA 3.24Å; C158-Q162 WeakPolarHBondContact O-CA 3.49Å; C158-Q162 PolarHBondContact O-N 2.8Å; C158-A164 HydrophobicContact CB-CB 4.1Å; C158-A164 PolarHBondContact N-O 3.09Å; C158-F166 HydrophobicContact CB-CE1 4.49Å; C158-F166 HydrophobicContact CB-CZ 3.97Å; C158-C183 HydrophobicContact CB-CB 4.17Å; C158-C183 PolarHBondContact SG-N 3.43Å; C158-C183 VanDerWaalsContact SG-N 3.42Å
159M98.1Very high95.5Very high53 Ų5372.1 Ų72.126%0.26138%0.383SS..THydrogen-bonded Turntrans-73.10.4-178-59.4179.97600114.4V150 V157 Q162 F180 V181V150-M159 HydrophobicContact CB-SD 4.2Å; V150-M159 HydrophobicContact CG1-SD 4.1Å; V150-M159 HydrophobicContact CG2-CE 4.1Å; V150-M159 HydrophobicContact CG2-SD 4.04Å; V157-M159 PolarHBondContact O-N 2.71Å; M159-Q162 PolarHBondContact O-NE2 2.89Å; M159-F180 HydrophobicContact CB-CB 4.06Å; M159-F180 HydrophobicContact CB-CD2 4.17Å; M159-F180 HydrophobicContact CB-CG 4.21Å; M159-F180 HydrophobicContact CE-CB 4.5Å; M159-F180 HydrophobicContact CE-CD1 3.68Å; M159-F180 HydrophobicContact CE-CD2 4.47Å; M159-F180 HydrophobicContact CE-CE1 3.93Å; M159-F180 HydrophobicContact CE-CG 3.98Å; M159-F180 HydrophobicContact CE-CZ 4.44Å; M159-F180 HydrophobicContact SD-CB 3.86Å; M159-F180 HydrophobicContact SD-CD1 4.06Å; M159-F180 HydrophobicContact SD-CG 4Å; M159-V181 WeakPolarHBondContact CB-O 3.31Å; M159-V181 WeakPolarHBondContact CG-O 3.48Å; M159-V181 PolarHBondContact N-O 3.41Å; M159-V181 HydrophobicContact SD-CB 4.28Å; M159-V181 HydrophobicContact SD-CG2 4.33Å; M159-V181 PolarHBondContact SD-N 3.47Å; M159-V181 VanDerWaalsContact SD-N 3.38Å
160R97.4Very high95.5Very high69 Ų6970 Ų7026%0.2638%0.378SS..THydrogen-bonded Turntrans-102.8-62.8174.5-70.1-67.1179.6-168.71111.5C158 C178 V182 C186 C204 F206 C207C158-R160 PolarHBondContact O-N 2.99Å; C158-R160 VanDerWaalsContact O-N 3.08Å; C158-R160 PolarHBondContact SG-N 2.87Å; C158-R160 VanDerWaalsContact SG-N 3.4Å; R160-C178 PolarHBondContact NH2-SG 2.88Å; R160-V182 HydrophobicContact CB-CG1 4.29Å; R160-V182 HydrophobicContact CG-CG1 3.48Å; R160-V182 VanDerWaalsContact CG-CG1 3.48Å; R160-C186 HydrophobicContact CB-CB 3.96Å; R160-C186 HydrophobicContact CG-CB 4.47Å; R160-C204 HydrophobicContact CG-CB 4.02Å; R160-C204 PolarHBondContact NE-SG 3.3Å; R160-C204 PolarHBondContact NH2-SG 2.94Å; R160-F206 VanDerWaalsContact NH1-CD1 3.26Å; R160-F206 VanDerWaalsContact NH1-CG 3.35Å; R160-C207 PolarHBondContact NH2-SG 3.35Å
161C97.6Very high95.5Very high43 Ų4376.3 Ų76.329%0.29140%0.399SS..THydrogen-bonded Turntrans-83.3-17.4-177.269.10000113.9K163C161-K163 VanDerWaalsContact O-CG 3.31Å; C161-K163 WeakPolarHBondContact O-CG 3.38Å; C161-K163 PolarHBondContact O-N 3.3Å
162Q97.4Very high95.7Very high123 Ų12379.5 Ų79.558%0.57541%0.409SS*.SBendtrans55.59.6-175-57.7-64.6-17.300114.9C158 M159C158-Q162 VanDerWaalsContact O-CA 3.24Å; C158-Q162 WeakPolarHBondContact O-CA 3.49Å; C158-Q162 PolarHBondContact O-N 2.8Å; M159-Q162 PolarHBondContact O-NE2 2.89Å
163K96.9Very high95.9Very high185 Ų18580.7 Ų80.780%0.80441%0.413SS*.  trans-106.7-41.3-175.3-70.6166.4-173.9-176.20112.2C161 K165C161-K163 VanDerWaalsContact O-CG 3.31Å; C161-K163 WeakPolarHBondContact O-CG 3.38Å; C161-K163 PolarHBondContact O-N 3.3Å; K163-K165 PolarHBondContact O-N 2.94Å
164A97.4Very high96.2Very high25 Ų2576.6 Ų76.621%0.20738%0.383CS..  trans-79.3112.9-174.800000110.9V157 C158 C183V157-A164 CarbonylContact C-O 3.55Å; V157-A164 VanDerWaalsContact CA-O 3.31Å; V157-A164 WeakPolarHBondContact CA-O 3.29Å; C158-A164 HydrophobicContact CB-CB 4.1Å; C158-A164 PolarHBondContact N-O 3.09Å; A164-C183 HydrophobicContact CB-CB 4.04Å
165K97.8Very high96.5Very high156 Ų15670.9 Ų70.968%0.67836%0.357SS*.BIsolated β-bridgetrans-76135.3169.6-69.7-178.9179-176.80110.1V157 K163 N170V157-K165 HydrophobicContact CG1-CG 3.88Å; K163-K165 PolarHBondContact O-N 2.94Å; K165-N170 PolarHBondContact O-ND2 3.13Å
166F97.3Very high96.6Very high18 Ų1874 Ų748%0.07937%0.367CS..  trans-79.6133.8177.7-65.1-60.8000111.3A155 T156 V157 C158 N170 R172 V181 C183A155-F166 HydrophobicContact CB-CE2 4.33Å; A155-F166 WeakPolarHBondContact O-CD2 3.49Å; T156-F166 PolarHBondContact O-N 3.26Å; V157-F166 WeakPolarHBondContact O-CE2 3.34Å; C158-F166 HydrophobicContact CB-CE1 4.49Å; C158-F166 HydrophobicContact CB-CZ 3.97Å; F166-N170 WeakPolarHBondContact CA-O 3.45Å; F166-N170 WeakPolarHBondContact CD1-O 3.42Å; F166-R172 HydrophobicContact CB-CG 3.9Å; F166-R172 HydrophobicContact CD1-CB 4.4Å; F166-R172 HydrophobicContact CD1-CG 3.64Å; F166-R172 HydrophobicContact CD2-CG 3.68Å; F166-R172 HydrophobicContact CE1-CB 4.45Å; F166-R172 HydrophobicContact CE1-CG 3.99Å; F166-R172 HydrophobicContact CE2-CG 4.01Å; F166-R172 HydrophobicContact CG-CG 3.46Å; F166-R172 VanDerWaalsContact CG-CG 3.46Å; F166-R172 HydrophobicContact CZ-CG 4.17Å; F166-V181 HydrophobicContact CD2-CG1 4.4Å; F166-V181 HydrophobicContact CE2-CB 4.2Å; F166-V181 HydrophobicContact CE2-CG1 3.57Å; F166-V181 HydrophobicContact CZ-CB 4.39Å; F166-V181 HydrophobicContact CZ-CG1 3.65Å; F166-C183 HydrophobicContact CE1-CB 4.16Å
167T94.5Very high96.6Very high69 Ų6973.1 Ų73.142%0.42336%0.356SS..  trans-142.5172.6179.767.70000108.7V169 N170T167-V169 PolarHBondContact O-N 2.92Å; T167-V169 VanDerWaalsContact O-N 3.13Å; T167-V169 PolarHBondContact OG1-N 2.97Å; T167-N170 PolarHBondContact N-O 3.27Å; T167-N170 CarbonylContact O-C 3.14Å; T167-N170 PolarHBondContact O-N 2.9Å; T167-N170 PolarHBondContact OG1-N 3.49Å
168P91.6Very high96.6Very high119 Ų11972.9 Ų72.977%0.77336%0.355SS*.SBendtrans-55.5-28.9174-28.437.2000113.9R171P168-R171 WeakPolarHBondContact O-CG 3.49Å
169V93.2Very high96.5Very high138 Ų13872.9 Ų72.984%0.83636%0.355SS*.SBendtrans-84.4-47175.9-176.20000111.4T167 R171T167-V169 PolarHBondContact O-N 2.92Å; T167-V169 VanDerWaalsContact O-N 3.13Å; T167-V169 PolarHBondContact OG1-N 2.97Å; V169-R171 PolarHBondContact O-N 3.07Å
170N95.1Very high96.5Very high46 Ų4673.8 Ų73.825%0.24636%0.358CS..SBendtrans-90.983.6174.6-175.439.9000110.3K165 F166 T167K165-N170 PolarHBondContact O-ND2 3.13Å; F166-N170 WeakPolarHBondContact CA-O 3.45Å; F166-N170 WeakPolarHBondContact CD1-O 3.42Å; T167-N170 PolarHBondContact N-O 3.27Å; T167-N170 CarbonylContact O-C 3.14Å; T167-N170 PolarHBondContact O-N 2.9Å; T167-N170 PolarHBondContact OG1-N 3.49Å
171R95.3Very high96.5Very high161 Ų16170.5 Ų70.561%0.60835%0.345SS*.  trans-70.3153.9-172.9-62.3-177.2175.8-167.2-3.8112.7P168 V169P168-R171 WeakPolarHBondContact O-CG 3.49Å; V169-R171 PolarHBondContact O-N 3.07Å
172R97.1Very high96.6Very high88 Ų8868.4 Ų68.433%0.33233%0.331SS..  trans-78.9144.3174.6-70.9179.9-179.984-1.7111.3D152 A155 F166 V181D152-R172 PolarHBondContact O-NE 3.43Å; D152-R172 VanDerWaalsContact O-NE 3.13Å; D152-R172 PolarHBondContact O-NH2 3.44Å; D152-R172 VanDerWaalsContact OD1-CD 3.31Å; D152-R172 WeakPolarHBondContact OD1-CD 3.37Å; A155-R172 PolarHBondContact O-NE 2.92Å; A155-R172 PolarHBondContact O-NH2 3.2Å; F166-R172 HydrophobicContact CB-CG 3.9Å; F166-R172 HydrophobicContact CD1-CB 4.4Å; F166-R172 HydrophobicContact CD1-CG 3.64Å; F166-R172 HydrophobicContact CD2-CG 3.68Å; F166-R172 HydrophobicContact CE1-CB 4.45Å; F166-R172 HydrophobicContact CE1-CG 3.99Å; F166-R172 HydrophobicContact CE2-CG 4.01Å; F166-R172 HydrophobicContact CG-CG 3.46Å; F166-R172 VanDerWaalsContact CG-CG 3.46Å; F166-R172 HydrophobicContact CZ-CG 4.17Å; R172-V181 HydrophobicContact CB-CG1 3.65Å; R172-V181 HydrophobicContact CG-CG1 3.63Å
173H97.3Very high96.6Very high51 Ų5162.8 Ų62.824%0.23631%0.305CS..EExtended strand (participates in β ladder)trans-135148.6168.5-52.5-56.7000110.7V181 V182 G184H173-V181 CarbonylContact O-C 3.53Å; H173-V181 VanDerWaalsContact O-CA 3.32Å; H173-V181 WeakPolarHBondContact O-CA 3.39Å; H173-V182 HydrophobicContact CB-CG2 4.25Å; H173-V182 WeakPolarHBondContact CB-O 3.5Å; H173-V182 PolarHBondContact N-O 3.43Å; H173-V182 WeakPolarHBondContact O-CG2 3.37Å; H173-V182 PolarHBondContact O-N 2.95Å; H173-G184 PolarHBondContact CD2-N 2.92Å
174H97.4Very high96.7Very high10 Ų1054.8 Ų54.85%0.04628%0.276CS..EExtended strand (participates in β ladder)trans-103.2133.1173.7-64.580000111.7W149 V150 D152 R176 F180W149-H174 HydrophobicContact CD2-CB 3.55Å; W149-H174 AromaticContact CD2-CD2 3.82Å; W149-H174 AromaticContact CD2-CG 3.64Å; W149-H174 HydrophobicContact CE3-CB 3.53Å; W149-H174 AromaticContact CE3-CD2 3.67Å; W149-H174 AromaticContact CE3-CG 3.28Å; W149-H174 AromaticContact CE3-ND1 3.56Å; W149-H174 HydrophobicContact CG-CB 4.19Å; W149-H174 AromaticContact CG-CD2 3.87Å; W149-H174 HydrophobicContact CH2-CB 3.98Å; W149-H174 HydrophobicContact CZ2-CB 3.99Å; W149-H174 HydrophobicContact CZ3-CB 3.75Å; W149-H174 AromaticContact CZ3-CG 3.75Å; W149-H174 AromaticContact CZ3-ND1 3.75Å; V150-H174 PolarHBondContact O-NE2 3.4Å; D152-H174 IonicContact OD1-CE1 2.71Å; D152-H174 PolarHBondContact OD1-CE1 3.11Å; D152-H174 IonicContact OD1-NE2 3.9Å; H174-R176 PolarHBondContact O-N 2.97Å; H174-R176 PolarHBondContact O-NH1 2.93Å; H174-F180 WeakPolarHBondContact CA-O 3.47Å
175C98.1Very high96.7Very high0 Ų057.7 Ų57.70%029%0.293CS..  trans-72.1121.8166.6174.80000109.7K177 G179 F180 C204C175-K177 VanDerWaalsContact C-N 3.26Å; C175-K177 PolarHBondContact O-N 3.44Å; C175-K177 PolarHBondContact SG-N 3.42Å; C175-G179 VanDerWaalsContact O-CA 3.29Å; C175-G179 WeakPolarHBondContact O-CA 3.24Å; C175-G179 PolarHBondContact O-N 3.23Å; C175-F180 PolarHBondContact N-O 3.5Å; C175-C204 HydrophobicContact CB-CB 4.13Å; C175-C204 PolarHBondContact SG-N 3.13Å; C175-C204 PolarHBondContact SG-SG 2.96Å
176R97.1Very high96.7Very high69 Ų6951.2 Ų51.226%0.2627%0.267SS..THydrogen-bonded Turntrans-67.7-24.4-179.7-79.776.7170.8158.8-9.5113.6W149 H174 L193 Q196 V201 R202 I203W149-R176 HydrophobicContact CZ2-CG 4.23Å; H174-R176 PolarHBondContact O-N 2.97Å; H174-R176 PolarHBondContact O-NH1 2.93Å; R176-L193 HydrophobicContact CB-CD1 3.84Å; R176-Q196 PolarHBondContact O-NE2 3.33Å; R176-Q196 PolarHBondContact O-OE1 2.91Å; R176-V201 HydrophobicContact CB-CB 4.18Å; R176-V201 HydrophobicContact CB-CG2 3.63Å; R176-V201 HydrophobicContact CG-CB 3.85Å; R176-V201 HydrophobicContact CG-CG1 4.45Å; R176-V201 HydrophobicContact CG-CG2 3.87Å; R176-R202 WeakPolarHBondContact CD-O 3.44Å; R176-R202 PolarHBondContact N-O 2.94Å; R176-R202 VanDerWaalsContact N-O 3.09Å; R176-I203 HydrophobicContact CB-CG2 4.35Å
177K96.3Very high96.8Very high76 Ų7650.4 Ų50.433%0.3326%0.263SS..THydrogen-bonded Turntrans-78.6-43.5178.5179.461.2178.4-178.20113.3A147 C175 L193 I203 C207 L211A147-K177 WeakPolarHBondContact CB-O 3.42Å; C175-K177 VanDerWaalsContact C-N 3.26Å; C175-K177 PolarHBondContact O-N 3.44Å; C175-K177 PolarHBondContact SG-N 3.42Å; K177-L193 HydrophobicContact CB-CD1 4.33Å; K177-L193 HydrophobicContact CD-CD2 4.45Å; K177-I203 HydrophobicContact CB-CG2 4.04Å; K177-C207 HydrophobicContact CB-CB 3.99Å; K177-C207 HydrophobicContact CG-CB 4.06Å; K177-L211 HydrophobicContact CD-CD1 4.24Å; K177-L211 HydrophobicContact CG-CD1 4.14Å
178C97Very high96.9Very high31 Ų3154 Ų5421%0.20928%0.275CS..THydrogen-bonded Turntrans-116.8-6.4-172.874.90000115.1R160 F180R160-C178 PolarHBondContact NH2-SG 2.88Å; C178-F180 PolarHBondContact O-N 2.99Å
179G96.6Very high97.1Very high0 Ų052 Ų520%025%0.254CS..  trans76.1-3.4176.500000115.8W149 V150 C175W149-G179 WeakPolarHBondContact CA-O 3.48Å; V150-G179 PolarHBondContact N-O 2.8Å; C175-G179 VanDerWaalsContact O-CA 3.29Å; C175-G179 WeakPolarHBondContact O-CA 3.24Å; C175-G179 PolarHBondContact O-N 3.23Å
180F97.9Very high97.3Very high72 Ų7252.2 Ų52.232%0.31624%0.24SC..  trans-68.9150.5179.9-71.7-3.9000113.3V150 M159 H174 C175 C178 V182V150-F180 HydrophobicContact CG2-CD1 4.22Å; M159-F180 HydrophobicContact CB-CB 4.06Å; M159-F180 HydrophobicContact CB-CD2 4.17Å; M159-F180 HydrophobicContact CB-CG 4.21Å; M159-F180 HydrophobicContact CE-CB 4.5Å; M159-F180 HydrophobicContact CE-CD1 3.68Å; M159-F180 HydrophobicContact CE-CD2 4.47Å; M159-F180 HydrophobicContact CE-CE1 3.93Å; M159-F180 HydrophobicContact CE-CG 3.98Å; M159-F180 HydrophobicContact CE-CZ 4.44Å; M159-F180 HydrophobicContact SD-CB 3.86Å; M159-F180 HydrophobicContact SD-CD1 4.06Å; M159-F180 HydrophobicContact SD-CG 4Å; H174-F180 WeakPolarHBondContact CA-O 3.47Å; C175-F180 PolarHBondContact N-O 3.5Å; C178-F180 PolarHBondContact O-N 2.99Å; F180-V182 HydrophobicContact CB-CG1 4.39Å
181V98.1Very high97.4Very high0 Ų052.7 Ų52.70%024%0.24CC..EExtended strand (participates in β ladder)trans-87121.9173.4-164.30000110.2V150 A155 M159 F166 R172 H173V150-V181 HydrophobicContact CB-CG2 3.98Å; V150-V181 HydrophobicContact CG1-CG2 4.14Å; A155-V181 HydrophobicContact CB-CB 3.5Å; A155-V181 HydrophobicContact CB-CG1 3.98Å; A155-V181 HydrophobicContact CB-CG2 3.46Å; A155-V181 VanDerWaalsContact CB-CG2 3.46Å; M159-V181 WeakPolarHBondContact CB-O 3.31Å; M159-V181 WeakPolarHBondContact CG-O 3.48Å; M159-V181 PolarHBondContact N-O 3.41Å; M159-V181 HydrophobicContact SD-CB 4.28Å; M159-V181 HydrophobicContact SD-CG2 4.33Å; M159-V181 PolarHBondContact SD-N 3.47Å; M159-V181 VanDerWaalsContact SD-N 3.38Å; F166-V181 HydrophobicContact CD2-CG1 4.4Å; F166-V181 HydrophobicContact CE2-CB 4.2Å; F166-V181 HydrophobicContact CE2-CG1 3.57Å; F166-V181 HydrophobicContact CZ-CB 4.39Å; F166-V181 HydrophobicContact CZ-CG1 3.65Å; R172-V181 HydrophobicContact CB-CG1 3.65Å; R172-V181 HydrophobicContact CG-CG1 3.63Å; H173-V181 CarbonylContact O-C 3.53Å; H173-V181 VanDerWaalsContact O-CA 3.32Å; H173-V181 WeakPolarHBondContact O-CA 3.39Å
182V98.5Very high97.4Very high0 Ų048.8 Ų48.80%023%0.231CC..EExtended strand (participates in β ladder)trans-133.4151.5-171-63.20000111.4R160 H173 F180 C186 C204R160-V182 HydrophobicContact CB-CG1 4.29Å; R160-V182 HydrophobicContact CG-CG1 3.48Å; R160-V182 VanDerWaalsContact CG-CG1 3.48Å; H173-V182 HydrophobicContact CB-CG2 4.25Å; H173-V182 WeakPolarHBondContact CB-O 3.5Å; H173-V182 PolarHBondContact N-O 3.43Å; H173-V182 WeakPolarHBondContact O-CG2 3.37Å; H173-V182 PolarHBondContact O-N 2.95Å; F180-V182 HydrophobicContact CB-CG1 4.39Å; V182-C186 HydrophobicContact CB-CB 4.45Å; V182-C204 HydrophobicContact CG1-CB 4.08Å; V182-C204 HydrophobicContact CG2-CB 4.48Å
183C98.4Very high97.3Very high4 Ų445.4 Ų45.43%0.02722%0.219CC..  trans-79.1166.7171.964.10000111.1C158 A164 F166 C186 S187C158-C183 HydrophobicContact CB-CB 4.17Å; C158-C183 PolarHBondContact SG-N 3.43Å; C158-C183 VanDerWaalsContact SG-N 3.42Å; A164-C183 HydrophobicContact CB-CB 4.04Å; F166-C183 HydrophobicContact CE1-CB 4.16Å; C183-C186 PolarHBondContact O-N 3.09Å; C183-C186 VanDerWaalsContact SG-SG 3.64Å; C183-S187 PolarHBondContact O-OG 3.38Å
184G98Very high97.1Very high18 Ų1847.9 Ų47.919%0.18624%0.24CC..G310 helixtrans-51.1-53.5178.200000112.9H173 C186 S187 E188H173-G184 PolarHBondContact CD2-N 2.92Å; G184-C186 PolarHBondContact O-N 3.32Å; G184-C186 VanDerWaalsContact O-N 3.15Å; G184-S187 CarbonylContact O-C 3.45Å; G184-S187 PolarHBondContact O-N 3.16Å; G184-S187 PolarHBondContact O-OG 3.09Å; G184-E188 WeakPolarHBondContact O-CG 3.43Å; G184-E188 PolarHBondContact O-N 3.03Å
185P98.1Very high96.8Very high86 Ų8649 Ų4956%0.55825%0.249SC*.G310 helixtrans-61.5-21.8-179.3-27.735.8000115.9S187P185-S187 VanDerWaalsContact C-N 3.34Å
186C98.4Very high96.6Very high20 Ų2051.5 Ų51.514%0.13526%0.26CS..G310 helixtrans-948.6177.1-69.70000113.2R160 V182 C183 G184 C204 D205R160-C186 HydrophobicContact CB-CB 3.96Å; R160-C186 HydrophobicContact CG-CB 4.47Å; V182-C186 HydrophobicContact CB-CB 4.45Å; C183-C186 PolarHBondContact O-N 3.09Å; C183-C186 VanDerWaalsContact SG-SG 3.64Å; G184-C186 PolarHBondContact O-N 3.32Å; G184-C186 VanDerWaalsContact O-N 3.15Å; C186-C204 WeakPolarHBondContact O-CA 3.48Å; C186-C204 VanDerWaalsContact O-CB 3.31Å; C186-C204 WeakPolarHBondContact O-CB 3.29Å; C186-D205 VanDerWaalsContact CA-OD2 3.23Å; C186-D205 WeakPolarHBondContact CA-OD2 3.4Å; C186-D205 PolarHBondContact O-N 3.46Å; C186-D205 VanDerWaalsContact O-N 3.09Å
187S97.9Very high96.5Very high0 Ų049.9 Ų49.90%026%0.26CS..  trans-152.537.3-174.1640000113.2C183 G184 P185 K189 R202 I203C183-S187 PolarHBondContact O-OG 3.38Å; G184-S187 CarbonylContact O-C 3.45Å; G184-S187 PolarHBondContact O-N 3.16Å; G184-S187 PolarHBondContact O-OG 3.09Å; P185-S187 VanDerWaalsContact C-N 3.34Å; S187-K189 PolarHBondContact O-N 3.37Å; S187-R202 WeakPolarHBondContact O-CG 3.2Å; S187-R202 PolarHBondContact O-NH1 3.44Å; S187-R202 PolarHBondContact OG-NH1 3.01Å; S187-I203 WeakPolarHBondContact CA-O 3.45Å
188E96.5Very high96.4Very high146 Ų14651.4 Ų51.468%0.68228%0.28SS*.  trans-69.6-26.4-178.4-63.1-174155.200111.7G184G184-E188 WeakPolarHBondContact O-CG 3.43Å; G184-E188 PolarHBondContact O-N 3.03Å
189K96Very high96.4Very high75 Ų7555.3 Ų55.333%0.32629%0.294SS..  trans-83.8154.9-175.4-52.6-175.3-171.5175.80113.1S187 I203 Y208 D209S187-K189 PolarHBondContact O-N 3.37Å; K189-I203 PolarHBondContact O-N 2.72Å; K189-Y208 HydrophobicContact CB-CD1 4.49Å; K189-Y208 HydrophobicContact CB-CD2 3.44Å; K189-Y208 VanDerWaalsContact CB-CD2 3.44Å; K189-Y208 HydrophobicContact CB-CE2 3.92Å; K189-Y208 HydrophobicContact CB-CG 3.76Å; K189-Y208 HydrophobicContact CD-CD1 3.22Å; K189-Y208 HydrophobicContact CD-CD2 3.78Å; K189-Y208 HydrophobicContact CD-CE1 3.63Å; K189-Y208 HydrophobicContact CD-CE2 4.12Å; K189-Y208 HydrophobicContact CD-CG 3.3Å; K189-Y208 HydrophobicContact CG-CD1 4.46Å; K189-Y208 HydrophobicContact CG-CD2 4.24Å; K189-Y208 HydrophobicContact CG-CG 4.18Å; K189-D209 IonicContact NZ-OD1 2.99Å; K189-D209 PolarHBondContact NZ-OD1 3.46Å
190R97.5Very high96.4Very high143 Ų14358.5 Ų58.554%0.5431%0.314SS..EExtended strand (participates in β ladder)trans-124.6148.2173.4-68.6-176.6169.4-115.46.5110.3P200 V201 Y208R190-P200 HydrophobicContact CB-CB 3.84Å; R190-P200 PolarHBondContact NH1-O 3Å; R190-V201 CarbonylContact C-O 3.5Å; R190-V201 WeakPolarHBondContact CA-O 3.43Å; R190-Y208 WeakPolarHBondContact O-CE2 3.14Å
191F97.2Very high96.3Very high57 Ų5755.9 Ų55.925%0.2530%0.304CS..EExtended strand (participates in β ladder)trans-140.4147.1-179.6-162.6-86.3000110.3L193 P200 V201 I203 Y208 L211F191-L193 HydrophobicContact CD1-CD2 4Å; F191-L193 PolarHBondContact O-N 3.15Å; F191-P200 WeakPolarHBondContact O-CA 3.44Å; F191-V201 PolarHBondContact N-O 3.03Å; F191-V201 WeakPolarHBondContact O-CG2 3.33Å; F191-V201 PolarHBondContact O-N 3.32Å; F191-I203 HydrophobicContact CB-CD1 3.33Å; F191-I203 HydrophobicContact CB-CG1 3.93Å; F191-I203 HydrophobicContact CD2-CD1 4.41Å; F191-I203 HydrophobicContact CG-CD1 3.99Å; F191-Y208 HydrophobicContact CB-CD2 4.34Å; F191-Y208 HydrophobicContact CD2-CD2 4.03Å; F191-Y208 HydrophobicContact CD2-CE2 4.11Å; F191-L211 HydrophobicContact CD1-CB 4.43Å; F191-L211 HydrophobicContact CD1-CD1 3.76Å; F191-L211 HydrophobicContact CD2-CB 4.14Å; F191-L211 HydrophobicContact CD2-CD1 4.49Å; F191-L211 HydrophobicContact CE1-CB 4.02Å; F191-L211 HydrophobicContact CE1-CD1 3.96Å; F191-L211 HydrophobicContact CE1-CG 4.44Å; F191-L211 HydrophobicContact CE2-CB 3.68Å; F191-L211 HydrophobicContact CG-CD1 4.07Å; F191-L211 HydrophobicContact CZ-CB 3.63Å; F191-L211 HydrophobicContact CZ-CD1 4.41Å
192L96.6Very high96.3Very high79 Ų7958.8 Ų58.841%0.41432%0.315SS..  trans-78.8116.2176.1-176.564000109.5P194 S197 S198L192-P194 HydrophobicContact CG-CG 4.33Å; L192-P194 WeakPolarHBondContact O-CD 3.3Å; L192-S197 WeakPolarHBondContact CD1-O 3.36Å; L192-S198 WeakPolarHBondContact CD1-O 3.27Å
193L95.2Very high96.3Very high16 Ų1658.8 Ų58.88%0.08432%0.315CS..  trans-109.292.3171.2-61.8-179.6000107.1R176 K177 F191 S195 Q196 S197 V201 I203 L211R176-L193 HydrophobicContact CB-CD1 3.84Å; K177-L193 HydrophobicContact CB-CD1 4.33Å; K177-L193 HydrophobicContact CD-CD2 4.45Å; F191-L193 HydrophobicContact CD1-CD2 4Å; F191-L193 PolarHBondContact O-N 3.15Å; L193-S195 PolarHBondContact O-N 2.81Å; L193-S195 VanDerWaalsContact O-N 3.16Å; L193-Q196 HydrophobicContact CB-CB 4.14Å; L193-Q196 HydrophobicContact CB-CG 4.33Å; L193-Q196 PolarHBondContact O-N 3.08Å; L193-S197 PolarHBondContact O-N 3.2Å; L193-V201 HydrophobicContact CB-CG2 4.2Å; L193-V201 HydrophobicContact CD1-CG2 3.72Å; L193-V201 HydrophobicContact CG-CG2 3.87Å; L193-I203 HydrophobicContact CD1-CG2 4.31Å; L193-L211 HydrophobicContact CD2-CD1 4.1Å
194P93Very high96.3Very high103 Ų10358.6 Ų58.667%0.66931%0.314SS*.THydrogen-bonded Turntrans-56.6-37.3-167.9-27.135.4000113.4L192 Q196L192-P194 HydrophobicContact CG-CG 4.33Å; L192-P194 WeakPolarHBondContact O-CD 3.3Å; P194-Q196 PolarHBondContact O-N 2.85Å
195S91.3Very high96.3Very high34 Ų3459.5 Ų59.524%0.23832%0.315CS..THydrogen-bonded Turntrans-68.8-12.3178-53.50000114.1P105 T106 E144 L193P105-S195 CarbonylContact C-O 3.48Å; T106-S195 VanDerWaalsContact CA-O 3.27Å; T106-S195 WeakPolarHBondContact CA-O 3.35Å; T106-S195 WeakPolarHBondContact CG2-O 3.12Å; E144-S195 VanDerWaalsContact OE1-CB 3.32Å; E144-S195 WeakPolarHBondContact OE1-CB 3.17Å; E144-S195 PolarHBondContact OE1-OG 3.05Å; E144-S195 PolarHBondContact OE2-OG 3.18Å; L193-S195 PolarHBondContact O-N 2.81Å; L193-S195 VanDerWaalsContact O-N 3.16Å
196Q93Very high96.2Very high52 Ų5261.1 Ų61.124%0.24331%0.313CS..THydrogen-bonded Turntrans-117.1-29.7-177.5-60.9-176.830.800113.5P105 A146 R176 L193 P194P105-Q196 WeakPolarHBondContact O-CG 3.49Å; A146-Q196 HydrophobicContact CB-CG 4.17Å; R176-Q196 PolarHBondContact O-NE2 3.33Å; R176-Q196 PolarHBondContact O-OE1 2.91Å; L193-Q196 HydrophobicContact CB-CB 4.14Å; L193-Q196 HydrophobicContact CB-CG 4.33Å; L193-Q196 PolarHBondContact O-N 3.08Å; P194-Q196 PolarHBondContact O-N 2.85Å
197S94Very high96.1Very high35 Ų3560.4 Ų60.425%0.24531%0.308CS..  trans-163.9144.5-174.5173.40000111.6L192 L193 K199L192-S197 WeakPolarHBondContact CD1-O 3.36Å; L193-S197 PolarHBondContact O-N 3.2Å; S197-K199 VanDerWaalsContact C-N 3.3Å; S197-K199 WeakPolarHBondContact CB-O 3.29Å; S197-K199 PolarHBondContact OG-N 3.12Å; S197-K199 PolarHBondContact OG-O 3.45Å
198S95.1Very high96.1Very high109 Ų10963.9 Ų63.976%0.76232%0.322SS*.SBendtrans-75.6-19169.357.60000113.2L192L192-S198 WeakPolarHBondContact CD1-O 3.27Å
199K96Very high96.1Very high113 Ų11360.5 Ų60.549%0.49131%0.308SS..SBendtrans-107.1148.9179.1-63173-171.9163.30110.4S197 V201 D249S197-K199 VanDerWaalsContact C-N 3.3Å; S197-K199 WeakPolarHBondContact CB-O 3.29Å; S197-K199 PolarHBondContact OG-N 3.12Å; S197-K199 PolarHBondContact OG-O 3.45Å; K199-V201 PolarHBondContact O-N 3.3Å; K199-D249 IonicContact NZ-OD1 2.72Å; K199-D249 PolarHBondContact NZ-OD1 3.45Å
200P97.1Very high96Very high67 Ų6758.7 Ų58.744%0.43530%0.302SS..  trans-57.6129.5176-26.835.5000113.5R190 F191R190-P200 HydrophobicContact CB-CB 3.84Å; R190-P200 PolarHBondContact NH1-O 3Å; F191-P200 WeakPolarHBondContact O-CA 3.44Å
201V97.1Very high95.8Very high17 Ų1753.8 Ų53.810%0.10329%0.286CS..EExtended strand (participates in β ladder)trans-106.6152.2-177.9-64.90000111.6R176 R190 F191 L193 K199 I203R176-V201 HydrophobicContact CB-CB 4.18Å; R176-V201 HydrophobicContact CB-CG2 3.63Å; R176-V201 HydrophobicContact CG-CB 3.85Å; R176-V201 HydrophobicContact CG-CG1 4.45Å; R176-V201 HydrophobicContact CG-CG2 3.87Å; R190-V201 CarbonylContact C-O 3.5Å; R190-V201 WeakPolarHBondContact CA-O 3.43Å; F191-V201 PolarHBondContact N-O 3.03Å; F191-V201 WeakPolarHBondContact O-CG2 3.33Å; F191-V201 PolarHBondContact O-N 3.32Å; L193-V201 HydrophobicContact CB-CG2 4.2Å; L193-V201 HydrophobicContact CD1-CG2 3.72Å; L193-V201 HydrophobicContact CG-CG2 3.87Å; K199-V201 PolarHBondContact O-N 3.3Å; V201-I203 PolarHBondContact O-N 2.99Å
202R97.9Very high95.6Very high60 Ų6054.1 Ų54.123%0.22630%0.295CS..EExtended strand (participates in β ladder)trans-64.3126.6178.8180-172-65.4-85.95.3111.3R176 S187R176-R202 WeakPolarHBondContact CD-O 3.44Å; R176-R202 PolarHBondContact N-O 2.94Å; R176-R202 VanDerWaalsContact N-O 3.09Å; S187-R202 WeakPolarHBondContact O-CG 3.2Å; S187-R202 PolarHBondContact O-NH1 3.44Å; S187-R202 PolarHBondContact OG-NH1 3.01Å
203I98.4Very high95.1Very high0 Ų054.7 Ų54.70%030%0.302CS..  trans-129.4158.2170.462.1169.1000109R176 K177 S187 K189 F191 L193 V201 C207 Y208 L211R176-I203 HydrophobicContact CB-CG2 4.35Å; K177-I203 HydrophobicContact CB-CG2 4.04Å; S187-I203 WeakPolarHBondContact CA-O 3.45Å; K189-I203 PolarHBondContact O-N 2.72Å; F191-I203 HydrophobicContact CB-CD1 3.33Å; F191-I203 HydrophobicContact CB-CG1 3.93Å; F191-I203 HydrophobicContact CD2-CD1 4.41Å; F191-I203 HydrophobicContact CG-CD1 3.99Å; L193-I203 HydrophobicContact CD1-CG2 4.31Å; V201-I203 PolarHBondContact O-N 2.99Å; I203-C207 HydrophobicContact CB-CB 4.31Å; I203-C207 HydrophobicContact CD1-CB 4.12Å; I203-Y208 HydrophobicContact CD1-CD2 4.15Å; I203-Y208 HydrophobicContact CD1-CG 4.39Å; I203-Y208 HydrophobicContact CG1-CD2 4.43Å; I203-L211 HydrophobicContact CD1-CD1 3.94Å
204C98.4Very high94Very high0 Ų056.9 Ų56.90%033%0.329CS..  trans-71.6154.917359.90000110.8R160 C175 V182 C186 F206 C207 Y208R160-C204 HydrophobicContact CG-CB 4.02Å; R160-C204 PolarHBondContact NE-SG 3.3Å; R160-C204 PolarHBondContact NH2-SG 2.94Å; C175-C204 HydrophobicContact CB-CB 4.13Å; C175-C204 PolarHBondContact SG-N 3.13Å; C175-C204 PolarHBondContact SG-SG 2.96Å; V182-C204 HydrophobicContact CG1-CB 4.08Å; V182-C204 HydrophobicContact CG2-CB 4.48Å; C186-C204 WeakPolarHBondContact O-CA 3.48Å; C186-C204 VanDerWaalsContact O-CB 3.31Å; C186-C204 WeakPolarHBondContact O-CB 3.29Å; C204-F206 VanDerWaalsContact C-N 3.27Å; C204-F206 PolarHBondContact O-N 2.9Å; C204-C207 WeakPolarHBondContact O-CB 3.49Å; C204-C207 PolarHBondContact O-N 3.41Å; C204-C207 PolarHBondContact SG-SG 3.29Å; C204-Y208 PolarHBondContact O-N 2.97Å
205D97.1Very high92.5Very high38 Ų3858 Ų5820%0.20333%0.325CS..Hα-helixtrans-58.9-39.6-172.7-50.8-38.8000112.1C186 C207 Y208 D209C186-D205 VanDerWaalsContact CA-OD2 3.23Å; C186-D205 WeakPolarHBondContact CA-OD2 3.4Å; C186-D205 PolarHBondContact O-N 3.46Å; C186-D205 VanDerWaalsContact O-N 3.09Å; D205-C207 VanDerWaalsContact C-N 3.32Å; D205-C207 PolarHBondContact O-N 3.34Å; D205-Y208 WeakPolarHBondContact O-CA 3.37Å; D205-Y208 WeakPolarHBondContact O-CB 3.45Å; D205-Y208 PolarHBondContact O-N 2.8Å; D205-D209 VanDerWaalsContact O-CG 3.23Å; D205-D209 PolarHBondContact O-N 3.01Å
206F96.3Very high90.7Very high120 Ų12063.8 Ų63.853%0.52635%0.35SS..Hα-helixtrans-53.9-44.9172.9177.3-89.6000113.5R160 C204 Y208 L210R160-F206 VanDerWaalsContact NH1-CD1 3.26Å; R160-F206 VanDerWaalsContact NH1-CG 3.35Å; C204-F206 VanDerWaalsContact C-N 3.27Å; C204-F206 PolarHBondContact O-N 2.9Å; F206-Y208 VanDerWaalsContact C-N 3.31Å; F206-L210 WeakPolarHBondContact O-CB 3.41Å; F206-L210 PolarHBondContact O-N 3.02Å; F206-L210 VanDerWaalsContact O-N 3.09Å
207C97.3Very high88.4Confident4 Ų466.2 Ų66.23%0.02737%0.369CS..Hα-helixtrans-72.1-31.3178.6-74.60000111.4R160 K177 I203 C204 D205 L211R160-C207 PolarHBondContact NH2-SG 3.35Å; K177-C207 HydrophobicContact CB-CB 3.99Å; K177-C207 HydrophobicContact CG-CB 4.06Å; I203-C207 HydrophobicContact CB-CB 4.31Å; I203-C207 HydrophobicContact CD1-CB 4.12Å; C204-C207 WeakPolarHBondContact O-CB 3.49Å; C204-C207 PolarHBondContact O-N 3.41Å; C204-C207 PolarHBondContact SG-SG 3.29Å; D205-C207 VanDerWaalsContact C-N 3.32Å; D205-C207 PolarHBondContact O-N 3.34Å; C207-L211 WeakPolarHBondContact O-CB 3.35Å; C207-L211 WeakPolarHBondContact O-CD1 3.39Å; C207-L211 WeakPolarHBondContact O-CG 3.48Å; C207-L211 PolarHBondContact O-N 2.92Å
208Y97.4Very high85.9Confident74 Ų7470.2 Ų70.229%0.2939%0.392SS..Hα-helixtrans-65.8-47.5176.3-176.6-81.6000110.4K189 R190 F191 I203 C204 D205 F206 L211 S212K189-Y208 HydrophobicContact CB-CD1 4.49Å; K189-Y208 HydrophobicContact CB-CD2 3.44Å; K189-Y208 VanDerWaalsContact CB-CD2 3.44Å; K189-Y208 HydrophobicContact CB-CE2 3.92Å; K189-Y208 HydrophobicContact CB-CG 3.76Å; K189-Y208 HydrophobicContact CD-CD1 3.22Å; K189-Y208 HydrophobicContact CD-CD2 3.78Å; K189-Y208 HydrophobicContact CD-CE1 3.63Å; K189-Y208 HydrophobicContact CD-CE2 4.12Å; K189-Y208 HydrophobicContact CD-CG 3.3Å; K189-Y208 HydrophobicContact CG-CD1 4.46Å; K189-Y208 HydrophobicContact CG-CD2 4.24Å; K189-Y208 HydrophobicContact CG-CG 4.18Å; R190-Y208 WeakPolarHBondContact O-CE2 3.14Å; F191-Y208 HydrophobicContact CB-CD2 4.34Å; F191-Y208 HydrophobicContact CD2-CD2 4.03Å; F191-Y208 HydrophobicContact CD2-CE2 4.11Å; I203-Y208 HydrophobicContact CD1-CD2 4.15Å; I203-Y208 HydrophobicContact CD1-CG 4.39Å; I203-Y208 HydrophobicContact CG1-CD2 4.43Å; C204-Y208 PolarHBondContact O-N 2.97Å; D205-Y208 WeakPolarHBondContact O-CA 3.37Å; D205-Y208 WeakPolarHBondContact O-CB 3.45Å; D205-Y208 PolarHBondContact O-N 2.8Å; F206-Y208 VanDerWaalsContact C-N 3.31Å; Y208-L211 PolarHBondContact O-N 3.46Å; Y208-S212 WeakPolarHBondContact CD1-OG 3.49Å; Y208-S212 WeakPolarHBondContact CE1-OG 3.3Å; Y208-S212 VanDerWaalsContact O-CB 3.24Å; Y208-S212 WeakPolarHBondContact O-CB 3.23Å; Y208-S212 PolarHBondContact O-N 3.11Å; Y208-S212 PolarHBondContact O-OG 2.98Å
209D95.5Very high83.4Confident74 Ų7470.1 Ų70.140%0.39639%0.39SS..Hα-helixtrans-63.2-47-178.7-59.5-19.4000109.6K189 D205 L211 S212 T213K189-D209 IonicContact NZ-OD1 2.99Å; K189-D209 PolarHBondContact NZ-OD1 3.46Å; D205-D209 VanDerWaalsContact O-CG 3.23Å; D205-D209 PolarHBondContact O-N 3.01Å; D209-L211 VanDerWaalsContact C-N 3.34Å; D209-L211 PolarHBondContact O-N 2.97Å; D209-S212 PolarHBondContact O-N 3.24Å; D209-S212 VanDerWaalsContact O-N 3.1Å; D209-T213 WeakPolarHBondContact O-CG2 3.24Å; D209-T213 PolarHBondContact O-N 3.41Å; D209-T213 PolarHBondContact O-OG1 2.9Å; D209-T213 VanDerWaalsContact O-OG1 3.07Å
210L94.4Very high80.7Confident38 Ų3872.5 Ų72.520%0.19940%0.403CS..Hα-helixtrans-54.8-44.3174.9-171.573.9000113.4F206 T213 E215F206-L210 WeakPolarHBondContact O-CB 3.41Å; F206-L210 PolarHBondContact O-N 3.02Å; F206-L210 VanDerWaalsContact O-N 3.09Å; L210-T213 PolarHBondContact O-OG1 3.3Å; L210-E215 HydrophobicContact CD1-CB 4.31Å; L210-E215 WeakPolarHBondContact CD1-O 3.3Å; L210-E215 WeakPolarHBondContact CG-O 3.45Å
211L93.8Very high78.2Confident39 Ų3974.8 Ų74.820%0.20442%0.421CS..Hα-helixtrans-76-26.4-179.8-70.4170.4000112.7K177 F191 L193 I203 C207 Y208 D209K177-L211 HydrophobicContact CD-CD1 4.24Å; K177-L211 HydrophobicContact CG-CD1 4.14Å; F191-L211 HydrophobicContact CD1-CB 4.43Å; F191-L211 HydrophobicContact CD1-CD1 3.76Å; F191-L211 HydrophobicContact CD2-CB 4.14Å; F191-L211 HydrophobicContact CD2-CD1 4.49Å; F191-L211 HydrophobicContact CE1-CB 4.02Å; F191-L211 HydrophobicContact CE1-CD1 3.96Å; F191-L211 HydrophobicContact CE1-CG 4.44Å; F191-L211 HydrophobicContact CE2-CB 3.68Å; F191-L211 HydrophobicContact CG-CD1 4.07Å; F191-L211 HydrophobicContact CZ-CB 3.63Å; F191-L211 HydrophobicContact CZ-CD1 4.41Å; L193-L211 HydrophobicContact CD2-CD1 4.1Å; I203-L211 HydrophobicContact CD1-CD1 3.94Å; C207-L211 WeakPolarHBondContact O-CB 3.35Å; C207-L211 WeakPolarHBondContact O-CD1 3.39Å; C207-L211 WeakPolarHBondContact O-CG 3.48Å; C207-L211 PolarHBondContact O-N 2.92Å; Y208-L211 PolarHBondContact O-N 3.46Å; D209-L211 VanDerWaalsContact C-N 3.34Å; D209-L211 PolarHBondContact O-N 2.97Å
212S91.7Very high75.1Confident64 Ų6480.2 Ų80.245%0.44845%0.454SS..Hα-helixtrans-83.7-29.9-178.4-57.50000112.5Y208 D209 G214Y208-S212 WeakPolarHBondContact CD1-OG 3.49Å; Y208-S212 WeakPolarHBondContact CE1-OG 3.3Å; Y208-S212 VanDerWaalsContact O-CB 3.24Å; Y208-S212 WeakPolarHBondContact O-CB 3.23Å; Y208-S212 PolarHBondContact O-N 3.11Å; Y208-S212 PolarHBondContact O-OG 2.98Å; D209-S212 PolarHBondContact O-N 3.24Å; D209-S212 VanDerWaalsContact O-N 3.1Å; S212-G214 VanDerWaalsContact C-N 3.31Å
213T87.1Confident72.5Confident91 Ų9187.3 Ų87.356%0.55848%0.48SS*.THydrogen-bonded Turntrans-84.2-6.4177.957.90000113.2D209 L210 E215D209-T213 WeakPolarHBondContact O-CG2 3.24Å; D209-T213 PolarHBondContact O-N 3.41Å; D209-T213 PolarHBondContact O-OG1 2.9Å; D209-T213 VanDerWaalsContact O-OG1 3.07Å; L210-T213 PolarHBondContact O-OG1 3.3Å; T213-E215 PolarHBondContact O-N 2.96Å
214G71.4Confident69.4Low62 Ų6292.5 Ų92.564%0.63952%0.517SS*.THydrogen-bonded Turntrans70.87.8-177.700000113.9S212 M216S212-G214 VanDerWaalsContact C-N 3.31Å; G214-M216 VanDerWaalsContact C-N 3.25Å; G214-M216 PolarHBondContact O-N 3.25Å
215E61.7Low66.6Low126 Ų12699.8 Ų99.859%0.58956%0.556SS**  trans-77.978174.6-68.2-174.3166.300109.4L210 T213 T217L210-E215 HydrophobicContact CD1-CB 4.31Å; L210-E215 WeakPolarHBondContact CD1-O 3.3Å; L210-E215 WeakPolarHBondContact CG-O 3.45Å; T213-E215 PolarHBondContact O-N 2.96Å; E215-T217 PolarHBondContact O-N 3.45Å
216M53.2Low63.7Low157 Ų157103 Ų10377%0.77358%0.581SS**  trans-79.963.1178.7-149.6170.4-168.800110.4G214 T218G214-M216 VanDerWaalsContact C-N 3.25Å; G214-M216 PolarHBondContact O-N 3.25Å; M216-T218 PolarHBondContact O-N 3.45Å
217T45Very low60.6Low103 Ų103108.8 Ų108.863%0.63260%0.601SS**  trans-85117.8176.1-36.10000109.3E215 C219E215-T217 PolarHBondContact O-N 3.45Å; T217-C219 PolarHBondContact O-N 2.96Å
218T42.3Very low57.5Low118 Ų118113.5 Ų113.572%0.72463%0.634SS**  trans-47.199.1176.8-39.70000110.9M216 Q220M216-T218 PolarHBondContact O-N 3.45Å; T218-Q220 HydrophobicContact CG2-CG 4.19Å; T218-Q220 PolarHBondContact O-N 3.24Å
219C41.8Very low54.4Low107 Ų107118.5 Ų118.572%0.72366%0.66SS**  trans-74.280.5170.8510000108.8T217T217-C219 PolarHBondContact O-N 2.96Å
220Q38.9Very low51.4Low164 Ų164120.7 Ų120.777%0.76668%0.681SS**  trans-64.3132.1159.9-71.7-177.2-1.500108.1T218 T222T218-Q220 HydrophobicContact CG2-CG 4.19Å; T218-Q220 PolarHBondContact O-N 3.24Å; Q220-T222 PolarHBondContact O-N 2.79Å
221S45.3Very low48.8Very low115 Ų115125 Ų12580%0.80471%0.712SS**  trans-58.4106.3172.1-76.10000109.9
222T31.4Very low46Very low130 Ų130133.1 Ų133.180%0.79875%0.745SS**  trans-96.993.2149.548.10000107.1Q220 S224Q220-T222 PolarHBondContact O-N 2.79Å; T222-S224 VanDerWaalsContact C-N 3.32Å; T222-S224 PolarHBondContact O-N 3.41Å; T222-S224 VanDerWaalsContact O-N 3.11Å
223R44.8Very low43.2Very low209 Ų209135.4 Ų135.479%0.78976%0.761SS**  trans-66.197.8156.1-78.2178.2155.7-168.9-8.9105.9D225R223-D225 PolarHBondContact O-N 3.46Å
224S33.1Very low40.9Very low109 Ų109136.5 Ų136.576%0.76277%0.77SS**  trans-84.2105.3162.951.90000107.7T222 S226T222-S224 VanDerWaalsContact C-N 3.32Å; T222-S224 PolarHBondContact O-N 3.41Å; T222-S224 VanDerWaalsContact O-N 3.11Å; S224-S226 PolarHBondContact O-N 2.95Å
225D39.9Very low39Very low153 Ų153140.6 Ų140.682%0.81878%0.776SS**  trans-51.6123.1168.6-69.1-49.4000111.4R223R223-D225 PolarHBondContact O-N 3.46Å
226S35.4Very low37.6Very low105 Ų105141.1 Ų141.173%0.73478%0.783SS**  trans173.194.5142.130.30000109.9S224S224-S226 PolarHBondContact O-N 2.95Å
227Y30.7Very low36.5Very low242 Ų242141.4 Ų141.495%0.94979%0.788SS**  trans-138104154.9-116.9-87.2000109.7
228S32.1Very low36Very low103 Ų103142.8 Ų142.872%0.7280%0.796SS**  trans-73.4133.7175.8-58.90000111.4
229Q32.3Very low35.6Very low180 Ų180141.7 Ų141.784%0.84179%0.793SS**  trans50.4106.7142.8-63.1177.7-0.800120.3
230S32.5Very low35Very low119 Ų119143.6 Ų143.683%0.83280%0.796SS**  44.3162.6120.7-55.10000121.9
231P39.4Very low34.9Very low129 Ų129143.2 Ų143.284%0.83880%0.799SS**  cis-13317411.333.2-10.4000117.3
232K35.4Very low34.4Very low210 Ų210143.2 Ų143.291%0.91379%0.79SS**  trans-68.7150.3-175.4-61.6172.1176.1177.10114.7
233S33.7Very low34.4Very low111 Ų111145.6 Ų145.678%0.77679%0.792SS**  trans-151.7150.5142.761.50000110.8
234P38.8Very low34.1Very low114 Ų114139.3 Ų139.374%0.7477%0.774SS**  trans-84.2166.8-166.436.1-32.4000110.7
235L32.3Very low34.2Very low148 Ų148142.6 Ų142.678%0.77578%0.778SS**  trans175.2129.1131.9-87.9153.6000111.8
236N30.4Very low34Very low137 Ų137139.7 Ų139.773%0.73376%0.762SS**  trans57.1104.4139.4-59.6-6.6000119.3
237D31.2Very low34Very low163 Ų163139.5 Ų139.587%0.87276%0.76SS**  trans-69.2118164.2-154.2-3000109
238V33.6Very low34.4Very low133 Ų133133.1 Ų133.181%0.80675%0.751SS**  trans-118.8109.9162.4-1420000105.2D240V238-D240 PolarHBondContact O-N 3.38Å
239S35.4Very low34.4Very low95 Ų95137.8 Ų137.866%0.66477%0.768SS**  trans-65.5117.8178.349.60000110.3
240D28.5Very low34.5Very low146 Ų146135.7 Ų135.778%0.78177%0.765SS**  trans-114.5111150.7-94.5-27.4000107.7V238 D242V238-D240 PolarHBondContact O-N 3.38Å; D240-D242 PolarHBondContact O-N 3.33Å
241D37.5Very low34.6Very low156 Ų156136.6 Ų136.683%0.83476%0.761SS**  trans-59.5118.6162-82.6-50000108.3
242D33.6Very low34.3Very low115 Ų115137 Ų13762%0.61576%0.757SS**  trans-135.7116.7161.5-94-35000107.2D240D240-D242 PolarHBondContact O-N 3.33Å
243E32.6Very low34.2Very low181 Ų181132.7 Ų132.785%0.84675%0.748SS**  trans-54.9133.3-176.8-60.5-179.7149.200110.5E245E243-E245 VanDerWaalsContact C-N 3.26Å; E243-E245 PolarHBondContact O-N 2.96Å
244D37Very low34.3Very low77 Ų77134.1 Ų134.141%0.41275%0.746SS.*  trans-70.285.6171.4-77.1-52.5000108.5R47 K51 D246R47-D244 IonicContact CZ-OD1 2.87Å; R47-D244 IonicContact NH1-OD1 2.97Å; R47-D244 PolarHBondContact NH1-OD1 3.38Å; R47-D244 VanDerWaalsContact NH1-OD1 3.13Å; R47-D244 IonicContact NH2-OD1 2.99Å; R47-D244 PolarHBondContact NH2-OD1 3.43Å; K51-D244 IonicContact NZ-OD2 3.9Å; D244-D246 PolarHBondContact O-N 3.28Å
245E35.5Very low34Very low178 Ų178135.4 Ų135.483%0.83275%0.746SS**  trans-66.782.6157.7-84.6-170.3163.300108.8E243 S247E243-E245 VanDerWaalsContact C-N 3.26Å; E243-E245 PolarHBondContact O-N 2.96Å; E245-S247 PolarHBondContact O-N 2.99Å
246D37.2Very low34.1Very low92 Ų92134.5 Ų134.549%0.49274%0.744SS.*  trans-6584.2147.7-80.9-40.9000106.8D244 S248D244-D246 PolarHBondContact O-N 3.28Å; D246-S248 PolarHBondContact O-N 2.93Å; D246-S248 VanDerWaalsContact O-N 3.14Å
247S34.9Very low34.4Very low100 Ų100134.3 Ų134.370%0.69975%0.745SS**  trans-69.8103.6170.6175.90000109.3E245E245-S247 PolarHBondContact O-N 2.99Å
248S39.3Very low34.6Very low108 Ų108131.9 Ų131.976%0.75574%0.735SS**  trans-129.196.7145.753.90000106D246D246-S248 PolarHBondContact O-N 2.93Å; D246-S248 VanDerWaalsContact O-N 3.14Å
249D30.7Very low34.7Very low202 Ų202131.8 Ų131.8100%1.0873%0.728SS**  trans50.20174.7-64.1-28000119.2K199K199-D249 IonicContact NZ-OD1 2.72Å; K199-D249 PolarHBondContact NZ-OD1 3.45Å

Retrieved 249 of 249 residues in 66.1 ms (Link to these results)

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