G4V968_SCHMA Loading...

N(6)-L-threonylcarbamoyladenine synthase AlphaSync

AlphaFold DB , UniProt , Accession G4V968, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 337 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
1R69.1Low94.8Very high248 Ų24835.9 Ų35.994%0.93615%0.153SC*.  0134.70-174.1178.6179.7171.3-0.2105.5
2M88.8Confident94.9Very high119 Ų11934.8 Ų34.859%0.58616%0.156SC*.  trans-73.7126.3178.6-68.1173.7-16500108.9R21 D22M2-R21 HydrophobicContact CB-CG 4.19Å; M2-D22 HydrophobicContact CB-CB 4.05Å; M2-D22 HydrophobicContact CG-CB 4.14Å
3T96.2Very high95Very high11 Ų1133.2 Ų33.27%0.06715%0.15CC..  trans-78.5128.5-177.4-65.40000110.9I5 R21 D22 D73 C305 F308 D309T3-I5 HydrophobicContact CG2-CD1 3.96Å; T3-I5 HydrophobicContact CG2-CG1 3.87Å; T3-R21 WeakPolarHBondContact O-CA 3.4Å; T3-D22 PolarHBondContact O-N 3.41Å; T3-D73 WeakPolarHBondContact CA-OD2 3.18Å; T3-D73 HydrophobicContact CG2-CB 4.37Å; T3-C305 HydrophobicContact CG2-CB 4.25Å; T3-F308 HydrophobicContact CG2-CB 4.39Å; T3-F308 HydrophobicContact CG2-CD1 3.61Å; T3-F308 HydrophobicContact CG2-CE1 4.32Å; T3-F308 HydrophobicContact CG2-CG 4.34Å; T3-D309 VanDerWaalsContact CB-OD1 3.29Å; T3-D309 WeakPolarHBondContact CB-OD1 3.49Å; T3-D309 PolarHBondContact OG1-OD1 3.36Å
4I98.3Very high95.1Very high12 Ų1233.6 Ų33.66%0.06215%0.151CC..EExtended strand (participates in β ladder)trans-117.9118.5-179.7-48.6171.8000109.9I19 V20 R21 V67 E71 L72 D73I4-I19 HydrophobicContact CG2-CG2 3.94Å; I4-V20 WeakPolarHBondContact CA-O 3.35Å; I4-R21 HydrophobicContact CD1-CG 4.46Å; I4-R21 HydrophobicContact CG1-CB 4.05Å; I4-R21 HydrophobicContact CG1-CG 3.83Å; I4-R21 HydrophobicContact CG2-CB 4.46Å; I4-V67 HydrophobicContact CG2-CG1 4.38Å; I4-E71 HydrophobicContact CD1-CB 4.4Å; I4-L72 HydrophobicContact CG2-CD2 3.81Å; I4-D73 PolarHBondContact N-OD2 2.79Å; I4-D73 PolarHBondContact O-N 3.08Å
5I98.5Very high95.4Very high0 Ų031.4 Ų31.40%014%0.141CC..EExtended strand (participates in β ladder)trans-123.5136.9-176.9-58-63.9000110.5T3 I19 V20 D73 A74 A76 A301 C305 F308T3-I5 HydrophobicContact CG2-CD1 3.96Å; T3-I5 HydrophobicContact CG2-CG1 3.87Å; I5-I19 WeakPolarHBondContact O-CA 3.48Å; I5-V20 PolarHBondContact N-O 3.41Å; I5-V20 PolarHBondContact O-N 2.68Å; I5-D73 HydrophobicContact CD1-CB 4.36Å; I5-A74 HydrophobicContact CD1-CB 3.37Å; I5-A76 HydrophobicContact CG2-CB 3.64Å; I5-A301 HydrophobicContact CG2-CB 4.36Å; I5-A301 WeakPolarHBondContact O-CB 3.38Å; I5-C305 HydrophobicContact CG1-CB 4.24Å; I5-C305 WeakPolarHBondContact CG1-SG 3.46Å; I5-F308 HydrophobicContact CD1-CB 4.38Å; I5-F308 HydrophobicContact CD1-CG 4.41Å
6L98.8Very high95.6Very high0 Ų029.4 Ų29.40%013%0.132CC..EExtended strand (participates in β ladder)trans-92.5126.3163.4-178.3149.3000109I8 V17 G18 I19 V58 I62 L72 A74 V75 A76 W101L6-I8 HydrophobicContact CD2-CD1 3.91Å; L6-I8 HydrophobicContact CD2-CG1 3.58Å; L6-V17 HydrophobicContact CD1-CG1 4.16Å; L6-V17 HydrophobicContact CD2-CG1 4.05Å; L6-V17 HydrophobicContact CG-CG1 3.98Å; L6-G18 CarbonylContact C-O 3.59Å; L6-G18 WeakPolarHBondContact CA-O 3.26Å; L6-I19 HydrophobicContact CB-CG1 4.26Å; L6-I19 HydrophobicContact CD1-CD1 4.21Å; L6-I19 HydrophobicContact CD1-CG1 4.26Å; L6-I19 HydrophobicContact CG-CG1 4.24Å; L6-V58 HydrophobicContact CD1-CG1 4.34Å; L6-I62 HydrophobicContact CD1-CG1 4.27Å; L6-L72 HydrophobicContact CB-CD1 3.97Å; L6-L72 HydrophobicContact CB-CD2 4.22Å; L6-L72 HydrophobicContact CD1-CD1 4.35Å; L6-A74 PolarHBondContact N-O 3.43Å; L6-V75 HydrophobicContact CD2-CG1 4.14Å; L6-V75 CarbonylContact O-C 3.44Å; L6-A76 PolarHBondContact O-N 2.93Å; L6-W101 HydrophobicContact CD1-CH2 4.36Å; L6-W101 HydrophobicContact CD1-CZ3 4.31Å
7G98.8Very high95.8Very high0 Ų027.7 Ų27.70%013%0.125CC..EExtended strand (participates in β ladder)trans-117.3134.2-178.400000112.1V17 G18 A76G7-V17 CarbonylContact O-C 3.53Å; G7-V17 WeakPolarHBondContact O-CA 3.26Å; G7-G18 PolarHBondContact N-O 2.99Å; G7-G18 PolarHBondContact O-N 3.29Å; G7-A76 CarbonylContact C-O 3.59Å; G7-A76 VanDerWaalsContact CA-O 3.31Å; G7-A76 WeakPolarHBondContact CA-O 3.23Å
8I98.9Very high95.9Very high0 Ų026.2 Ų26.20%012%0.118CC..EExtended strand (participates in β ladder)trans-118.4121.4179-46.3-177.6000110.8L6 V17 I54 V58 A76 Y77 T78 V90 V93 A94 L97L6-I8 HydrophobicContact CD2-CD1 3.91Å; L6-I8 HydrophobicContact CD2-CG1 3.58Å; I8-V17 HydrophobicContact CG1-CG2 4.48Å; I8-V17 HydrophobicContact CG2-CG2 4.3Å; I8-I54 HydrophobicContact CG2-CD1 4.02Å; I8-V58 HydrophobicContact CD1-CG2 4.37Å; I8-A76 PolarHBondContact N-O 3.13Å; I8-Y77 WeakPolarHBondContact O-CA 3.33Å; I8-T78 PolarHBondContact O-N 3.07Å; I8-T78 PolarHBondContact O-OG1 2.81Å; I8-V90 HydrophobicContact CB-CG1 3.88Å; I8-V90 HydrophobicContact CG2-CB 4.28Å; I8-V90 HydrophobicContact CG2-CG1 3.57Å; I8-V90 HydrophobicContact CG2-CG2 4.01Å; I8-V93 HydrophobicContact CD1-CG1 4.17Å; I8-A94 HydrophobicContact CD1-CB 4.13Å; I8-L97 HydrophobicContact CD1-CD1 4.2Å
9E98.8Very high96.1Very high0 Ų024.8 Ų24.80%011%0.112CC..EExtended strand (participates in β ladder)trans-111.4136.1176.1173.254.4-117.200110.4S11 L15 G16 T78 H110 D295 N296 M299 I300E9-S11 VanDerWaalsContact OE1-CB 3.23Å; E9-S11 WeakPolarHBondContact OE1-CB 3.22Å; E9-S11 PolarHBondContact OE1-N 2.88Å; E9-S11 PolarHBondContact OE1-OG 3.34Å; E9-L15 WeakPolarHBondContact O-CA 3.41Å; E9-L15 WeakPolarHBondContact O-CD1 3.09Å; E9-G16 PolarHBondContact N-O 3.35Å; E9-G16 PolarHBondContact O-N 3.39Å; E9-T78 WeakPolarHBondContact CA-OG1 3.41Å; E9-T78 PolarHBondContact OE2-OG1 2.84Å; E9-H110 IonicContact OE1-CE1 3.26Å; E9-H110 IonicContact OE1-ND1 3.78Å; E9-H110 IonicContact OE2-CE1 3.51Å; E9-H110 IonicContact OE2-CG 2.79Å; E9-H110 IonicContact OE2-ND1 3.51Å; E9-H110 PolarHBondContact OE2-ND1 3.36Å; E9-D295 HydrophobicContact CG-CB 3.92Å; E9-N296 VanDerWaalsContact CB-O 3.22Å; E9-N296 WeakPolarHBondContact CB-O 3.5Å; E9-M299 HydrophobicContact CG-CE 3.9Å; E9-M299 WeakPolarHBondContact OE2-CE 3.43Å; E9-I300 HydrophobicContact CB-CG1 3.85Å
10G98.4Very high96.2Very high0 Ų023.6 Ų23.60%011%0.106CC..  trans-176.238.817700000113.2K14 H50 P86G10-K14 WeakPolarHBondContact CA-O 3.39Å; G10-H50 PolarHBondContact O-CE1 3.49Å; G10-P86 CarbonylContact O-C 3.01Å; G10-P86 WeakPolarHBondContact O-CB 3.33Å
11S98Very high96.3Very high5 Ų526.1 Ų26.14%0.03512%0.115CC..SBendtrans-71.7-28.4178.158.90000113.3E9 P81 M83 H110E9-S11 VanDerWaalsContact OE1-CB 3.23Å; E9-S11 WeakPolarHBondContact OE1-CB 3.22Å; E9-S11 PolarHBondContact OE1-N 2.88Å; E9-S11 PolarHBondContact OE1-OG 3.34Å; S11-P81 WeakPolarHBondContact CB-O 3.34Å; S11-M83 PolarHBondContact O-N 2.93Å; S11-H110 PolarHBondContact OG-CE1 2.86Å; S11-H110 PolarHBondContact OG-ND1 3.43Å
12A96.1Very high97.3Very high22 Ų2219.2 Ų19.218%0.18210%0.097CC..SBendtrans-123.3-141.9-176.400000111.4T46 H50 M83A12-T46 WeakPolarHBondContact O-CG2 3.4Å; A12-H50 PolarHBondContact O-CE1 2.82Å; A12-H50 PolarHBondContact O-NE2 3.36Å; A12-M83 VanDerWaalsContact C-CE 3.41Å
13N96.3Very high97.4Very high15 Ų1514.7 Ų14.78%0.088%0.08CC..SBendtrans-88.71.1179.576.1-51000114.5Y33 F41 T46N13-Y33 PolarHBondContact ND2-O 2.88Å; N13-Y33 PolarHBondContact O-N 2.88Å; N13-F41 HydrophobicContact CB-CB 4.2Å; N13-F41 HydrophobicContact CB-CD1 3.58Å; N13-F41 HydrophobicContact CB-CD2 3.82Å; N13-F41 HydrophobicContact CB-CE1 3.82Å; N13-F41 HydrophobicContact CB-CE2 4.06Å; N13-F41 HydrophobicContact CB-CG 3.58Å; N13-F41 HydrophobicContact CB-CZ 4.05Å; N13-T46 HydrophobicContact CB-CG2 4.44Å
14K97Very high97.5Very high39 Ų3917.4 Ų17.417%0.1710%0.1CC..EExtended strand (participates in β ladder)trans-102.7140.3173.3-69.968.5161.3-169.30107.9G10 R30 V31 T32 I294 D295G10-K14 WeakPolarHBondContact CA-O 3.39Å; K14-R30 HydrophobicContact CB-CG 4.49Å; K14-V31 WeakPolarHBondContact CA-O 3.36Å; K14-T32 HydrophobicContact CD-CG2 4.27Å; K14-T32 HydrophobicContact CG-CG2 4.33Å; K14-I294 HydrophobicContact CD-CG2 4.4Å; K14-I294 HydrophobicContact CG-CG2 3.93Å; K14-D295 HydrophobicContact CB-CB 4.06Å; K14-D295 HydrophobicContact CG-CB 4.47Å
15L98.7Very high97.4Very high0 Ų019 Ų190%011%0.11CC..EExtended strand (participates in β ladder)trans-120.3123.6169.7175.469.5000108.2E9 R30 V31 H50 H53 I54 L57 V90E9-L15 WeakPolarHBondContact O-CA 3.41Å; E9-L15 WeakPolarHBondContact O-CD1 3.09Å; L15-R30 WeakPolarHBondContact O-CA 3.29Å; L15-V31 HydrophobicContact CB-CG2 4Å; L15-V31 HydrophobicContact CD2-CG2 4.41Å; L15-V31 PolarHBondContact N-O 2.87Å; L15-V31 PolarHBondContact O-N 3.37Å; L15-H50 HydrophobicContact CD1-CB 4.43Å; L15-H50 HydrophobicContact CD2-CB 4.09Å; L15-H53 HydrophobicContact CD2-CB 4.06Å; L15-I54 HydrophobicContact CD1-CB 4.39Å; L15-I54 HydrophobicContact CD1-CD1 4.01Å; L15-I54 HydrophobicContact CD1-CG1 4.12Å; L15-I54 HydrophobicContact CD2-CB 3.8Å; L15-I54 HydrophobicContact CD2-CG1 4.35Å; L15-L57 HydrophobicContact CB-CD1 4.33Å; L15-L57 HydrophobicContact CD2-CD1 3.58Å; L15-L57 HydrophobicContact CG-CD1 3.72Å; L15-V90 HydrophobicContact CD1-CG2 4.02Å
16G98.6Very high97.4Very high0 Ų021.4 Ų21.40%012%0.123CC..EExtended strand (participates in β ladder)trans-134.6143.9-178.600000111.8E9 P29E9-G16 PolarHBondContact N-O 3.35Å; E9-G16 PolarHBondContact O-N 3.39Å; G16-P29 WeakPolarHBondContact CA-O 3.45Å
17V98.9Very high97.4Very high0 Ų021.7 Ų21.70%013%0.125CC..EExtended strand (participates in β ladder)trans-125126.3169.5-176.60000107.5L6 G7 I8 P29 L57 V58 A61L6-V17 HydrophobicContact CD1-CG1 4.16Å; L6-V17 HydrophobicContact CD2-CG1 4.05Å; L6-V17 HydrophobicContact CG-CG1 3.98Å; G7-V17 CarbonylContact O-C 3.53Å; G7-V17 WeakPolarHBondContact O-CA 3.26Å; I8-V17 HydrophobicContact CG1-CG2 4.48Å; I8-V17 HydrophobicContact CG2-CG2 4.3Å; V17-P29 PolarHBondContact N-O 3.12Å; V17-P29 VanDerWaalsContact N-O 3.12Å; V17-P29 WeakPolarHBondContact O-CD 3.41Å; V17-L57 HydrophobicContact CG2-CB 3.88Å; V17-V58 HydrophobicContact CG1-CG2 4.22Å; V17-V58 HydrophobicContact CG2-CG2 3.85Å; V17-A61 HydrophobicContact CB-CB 4Å; V17-A61 HydrophobicContact CG1-CB 3.64Å
18G98.6Very high97.3Very high0 Ų023.5 Ų23.50%013%0.134CC..EExtended strand (participates in β ladder)trans-124.4152.117900000111.4L6 G7 A27L6-G18 CarbonylContact C-O 3.59Å; L6-G18 WeakPolarHBondContact CA-O 3.26Å; G7-G18 PolarHBondContact N-O 2.99Å; G7-G18 PolarHBondContact O-N 3.29Å; G18-A27 CarbonylContact C-O 3.57Å; G18-A27 WeakPolarHBondContact CA-O 3.21Å
19I98.8Very high97.3Very high1 Ų123.9 Ų23.91%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-124.7123.8170.9-61.2178.9000107.5I4 I5 L6 L26 A27 A61 I62 A65 L72I4-I19 HydrophobicContact CG2-CG2 3.94Å; I5-I19 WeakPolarHBondContact O-CA 3.48Å; L6-I19 HydrophobicContact CB-CG1 4.26Å; L6-I19 HydrophobicContact CD1-CD1 4.21Å; L6-I19 HydrophobicContact CD1-CG1 4.26Å; L6-I19 HydrophobicContact CG-CG1 4.24Å; I19-L26 HydrophobicContact CB-CB 4.49Å; I19-L26 HydrophobicContact CG2-CB 4.36Å; I19-L26 HydrophobicContact CG2-CD1 4.22Å; I19-L26 PolarHBondContact O-N 3.22Å; I19-A27 HydrophobicContact CB-CB 4.48Å; I19-A27 PolarHBondContact N-O 3.44Å; I19-A27 PolarHBondContact O-N 2.87Å; I19-A61 HydrophobicContact CD1-CB 4.33Å; I19-A61 HydrophobicContact CG1-CB 4.4Å; I19-I62 HydrophobicContact CD1-CG1 4.14Å; I19-A65 HydrophobicContact CB-CB 3.94Å; I19-A65 HydrophobicContact CD1-CB 3.71Å; I19-A65 HydrophobicContact CG1-CB 4.35Å; I19-A65 HydrophobicContact CG2-CB 4.03Å; I19-L72 HydrophobicContact CG2-CD2 4.39Å
20V98.5Very high97.3Very high0 Ų027.6 Ų27.60%015%0.151CC..EExtended strand (participates in β ladder)trans-120.4137.6179.4176.10000108.8I4 I5 S24 V25 A298 A301 H302I4-V20 WeakPolarHBondContact CA-O 3.35Å; I5-V20 PolarHBondContact N-O 3.41Å; I5-V20 PolarHBondContact O-N 2.68Å; V20-S24 CarbonylContact C-O 3.55Å; V20-S24 VanDerWaalsContact CA-O 3.3Å; V20-S24 WeakPolarHBondContact CA-O 3.14Å; V20-V25 HydrophobicContact CG2-CG2 4.25Å; V20-A298 HydrophobicContact CG2-CB 4.22Å; V20-A301 HydrophobicContact CB-CB 3.88Å; V20-A301 HydrophobicContact CG2-CB 3.63Å; V20-H302 HydrophobicContact CG1-CB 4.28Å; V20-H302 HydrophobicContact CG2-CB 4.3Å
21R97.6Very high97.3Very high77 Ų7729.6 Ų29.629%0.29116%0.163SC..EExtended strand (participates in β ladder)trans-123.5108.8173173.3-178.5-64.6175-3.4108.2M2 T3 I4 G23 S24 L26 E71M2-R21 HydrophobicContact CB-CG 4.19Å; T3-R21 WeakPolarHBondContact O-CA 3.4Å; I4-R21 HydrophobicContact CD1-CG 4.46Å; I4-R21 HydrophobicContact CG1-CB 4.05Å; I4-R21 HydrophobicContact CG1-CG 3.83Å; I4-R21 HydrophobicContact CG2-CB 4.46Å; R21-G23 PolarHBondContact O-N 3.03Å; R21-S24 PolarHBondContact N-O 2.93Å; R21-S24 WeakPolarHBondContact O-CA 3.37Å; R21-S24 VanDerWaalsContact O-CB 3.27Å; R21-S24 WeakPolarHBondContact O-CB 3.48Å; R21-S24 PolarHBondContact O-N 2.99Å; R21-L26 HydrophobicContact CB-CD1 3.72Å; R21-L26 HydrophobicContact CB-CD2 4.41Å; R21-L26 HydrophobicContact CB-CG 4.07Å; R21-E71 IonicContact NH2-OE1 3.21Å
22D90.6Very high97.2Very high103 Ų10331.6 Ų31.655%0.55118%0.175SC*.THydrogen-bonded Turntrans48.852.9175.3-163.623.5000113.2M2 T3 S24M2-D22 HydrophobicContact CB-CB 4.05Å; M2-D22 HydrophobicContact CG-CB 4.14Å; T3-D22 PolarHBondContact O-N 3.41Å; D22-S24 PolarHBondContact O-N 3.03Å; D22-S24 VanDerWaalsContact O-N 3.16Å
23G91.9Very high97.3Very high24 Ų2433 Ų3325%0.24718%0.176CC..THydrogen-bonded Turntrans77.1-10.7-176.800000115.7R21 L120R21-G23 PolarHBondContact O-N 3.03Å; G23-L120 WeakPolarHBondContact O-CD2 3.29Å
24S96.7Very high97.3Very high68 Ų6835.8 Ų35.848%0.47619%0.19SC..EExtended strand (participates in β ladder)trans-87.7125.2175-172.10000111.9V20 R21 D22 L26V20-S24 CarbonylContact C-O 3.55Å; V20-S24 VanDerWaalsContact CA-O 3.3Å; V20-S24 WeakPolarHBondContact CA-O 3.14Å; R21-S24 PolarHBondContact N-O 2.93Å; R21-S24 WeakPolarHBondContact O-CA 3.37Å; R21-S24 VanDerWaalsContact O-CB 3.27Å; R21-S24 WeakPolarHBondContact O-CB 3.48Å; R21-S24 PolarHBondContact O-N 2.99Å; D22-S24 PolarHBondContact O-N 3.03Å; D22-S24 VanDerWaalsContact O-N 3.16Å; S24-L26 PolarHBondContact O-N 3.37Å
25V97.5Very high97.3Very high46 Ų4634.5 Ų34.528%0.27919%0.186SC..EExtended strand (participates in β ladder)trans-80.8110.3177.7-177.20000109.7V20 N28 M117 F292 A298V20-V25 HydrophobicContact CG2-CG2 4.25Å; V25-N28 HydrophobicContact CG1-CB 3.99Å; V25-M117 HydrophobicContact CG2-CE 4.42Å; V25-F292 HydrophobicContact CG2-CE1 4.07Å; V25-F292 HydrophobicContact CG2-CZ 4.35Å; V25-A298 HydrophobicContact CG1-CB 3.89Å; V25-A298 HydrophobicContact CG2-CB 4.25Å
26L98Very high97.1Very high50 Ų5037.8 Ų37.826%0.26221%0.207SC..EExtended strand (participates in β ladder)trans-88.7-32.8-179.9-56-173.8000112.8I19 R21 S24 A65 V67I19-L26 HydrophobicContact CB-CB 4.49Å; I19-L26 HydrophobicContact CG2-CB 4.36Å; I19-L26 HydrophobicContact CG2-CD1 4.22Å; I19-L26 PolarHBondContact O-N 3.22Å; R21-L26 HydrophobicContact CB-CD1 3.72Å; R21-L26 HydrophobicContact CB-CD2 4.41Å; R21-L26 HydrophobicContact CB-CG 4.07Å; S24-L26 PolarHBondContact O-N 3.37Å; L26-A65 HydrophobicContact CB-CB 3.65Å; L26-A65 HydrophobicContact CD1-CB 4.45Å; L26-V67 HydrophobicContact CD1-CG2 3.84Å
27A98.3Very high96.9Very high5 Ų540.8 Ų40.84%0.04123%0.227CC..EExtended strand (participates in β ladder)trans-151.7149.2174.500000110.1G18 I19 A61 E64 A65G18-A27 CarbonylContact C-O 3.57Å; G18-A27 WeakPolarHBondContact CA-O 3.21Å; I19-A27 HydrophobicContact CB-CB 4.48Å; I19-A27 PolarHBondContact N-O 3.44Å; I19-A27 PolarHBondContact O-N 2.87Å; A27-A61 HydrophobicContact CB-CB 4.22Å; A27-A61 VanDerWaalsContact CB-O 3.23Å; A27-A61 WeakPolarHBondContact CB-O 3.38Å; A27-E64 HydrophobicContact CB-CB 3.8Å; A27-A65 HydrophobicContact CB-CB 3.95Å
28N98.1Very high96.6Very high38 Ų3842.4 Ų42.420%0.20324%0.243CC..  trans-153.247175.1-161.623.2000113.4V25 G297 A298V25-N28 HydrophobicContact CG1-CB 3.99Å; N28-G297 PolarHBondContact OD1-N 3.29Å; N28-A298 HydrophobicContact CB-CB 4.07Å; N28-A298 VanDerWaalsContact CG-CB 3.43Å; N28-A298 WeakPolarHBondContact OD1-CB 3.33Å; N28-A298 PolarHBondContact OD1-N 3.37Å
29P98.3Very high96.4Very high9 Ų947.7 Ų47.76%0.05827%0.268CS..  trans-64.6143.9177.630.6-39.6000111.9G16 V17 L57 K60 A61 E64G16-P29 WeakPolarHBondContact CA-O 3.45Å; V17-P29 PolarHBondContact N-O 3.12Å; V17-P29 VanDerWaalsContact N-O 3.12Å; V17-P29 WeakPolarHBondContact O-CD 3.41Å; P29-L57 HydrophobicContact CB-CD2 3.76Å; P29-L57 HydrophobicContact CG-CD2 4.11Å; P29-K60 HydrophobicContact CB-CD 3.82Å; P29-K60 HydrophobicContact CB-CG 4.07Å; P29-K60 HydrophobicContact CG-CB 4.42Å; P29-K60 HydrophobicContact CG-CD 4.44Å; P29-K60 HydrophobicContact CG-CG 4.18Å; P29-A61 HydrophobicContact CG-CB 3.77Å; P29-E64 WeakPolarHBondContact CD-OE2 3.44Å
30R98Very high96.1Very high78 Ų7848.6 Ų48.629%0.29428%0.277SS..EExtended strand (participates in β ladder)trans-144.2149-177.3177.5172.468.8-149.4-1.1111.3K14 L15 E290 I294 D295K14-R30 HydrophobicContact CB-CG 4.49Å; L15-R30 WeakPolarHBondContact O-CA 3.29Å; R30-E290 PolarHBondContact NH2-O 3.42Å; R30-I294 PolarHBondContact NH1-O 3.12Å; R30-D295 WeakPolarHBondContact CD-O 3.35Å; R30-D295 PolarHBondContact NH1-O 3.27Å
31V97.9Very high95.9Very high42 Ų4251.6 Ų51.626%0.25529%0.29SS..EExtended strand (participates in β ladder)trans-128.7153.6166.7-59.90000110.2K14 L15 F49 H53 L57K14-V31 WeakPolarHBondContact CA-O 3.36Å; L15-V31 HydrophobicContact CB-CG2 4Å; L15-V31 HydrophobicContact CD2-CG2 4.41Å; L15-V31 PolarHBondContact N-O 2.87Å; L15-V31 PolarHBondContact O-N 3.37Å; V31-F49 HydrophobicContact CB-CE1 4.4Å; V31-F49 HydrophobicContact CB-CZ 4.15Å; V31-F49 HydrophobicContact CG2-CE1 3.71Å; V31-F49 HydrophobicContact CG2-CZ 3.86Å; V31-H53 HydrophobicContact CG2-CB 4.13Å; V31-L57 HydrophobicContact CB-CD1 4.41Å; V31-L57 HydrophobicContact CG1-CD1 4.12Å; V31-L57 HydrophobicContact CG1-CD2 4.4Å; V31-L57 HydrophobicContact CG2-CD1 3.57Å
32T97.3Very high95.8Very high46 Ų4653.3 Ų53.328%0.28230%0.302SS..EExtended strand (participates in β ladder)trans-122.7130.1-179.3-56.30000109.5K14 I34K14-T32 HydrophobicContact CD-CG2 4.27Å; K14-T32 HydrophobicContact CG-CG2 4.33Å; T32-I34 HydrophobicContact CG2-CG1 4.09Å; T32-I34 PolarHBondContact O-N 3.16Å
33Y97.7Very high96.1Very high52 Ų5250.9 Ų50.920%0.20429%0.291CS..  trans-77.8110.9167.8179.7-132.8000109.4N13 T35 F41 E45 T46 F49N13-Y33 PolarHBondContact ND2-O 2.88Å; N13-Y33 PolarHBondContact O-N 2.88Å; Y33-T35 HydrophobicContact CD1-CG2 4.37Å; Y33-T35 HydrophobicContact CE1-CG2 3.68Å; Y33-F41 HydrophobicContact CD1-CB 3.71Å; Y33-F41 HydrophobicContact CE1-CB 3.8Å; Y33-E45 HydrophobicContact CE1-CB 4.13Å; Y33-T46 HydrophobicContact CD1-CG2 4.41Å; Y33-T46 WeakPolarHBondContact CD1-OG1 3.45Å; Y33-F49 HydrophobicContact CD2-CB 4.05Å; Y33-F49 HydrophobicContact CD2-CD1 4.43Å; Y33-F49 AromaticContact CD2-CD2 3.92Å; Y33-F49 HydrophobicContact CD2-CD2 3.92Å; Y33-F49 AromaticContact CD2-CG 3.89Å; Y33-F49 HydrophobicContact CD2-CG 3.89Å; Y33-F49 HydrophobicContact CG-CB 4.2Å; Y33-F49 HydrophobicContact CG-CD1 4.23Å; Y33-F49 HydrophobicContact CG-CG 4.07Å
34I96.3Very high96.3Very high73 Ų7353.1 Ų53.137%0.37430%0.3SS..PPolyproline II helixtrans-103.3128179.3-58.6175.3000108.3T32 N173 D174T32-I34 HydrophobicContact CG2-CG1 4.09Å; T32-I34 PolarHBondContact O-N 3.16Å; I34-N173 HydrophobicContact CG2-CB 4.2Å; I34-D174 HydrophobicContact CD1-CB 4.15Å; I34-D174 WeakPolarHBondContact CD1-OD1 3.45Å; I34-D174 HydrophobicContact CG2-CB 4.09Å
35T96.3Very high96.4Very high12 Ų1253.2 Ų53.27%0.07429%0.293CS..PPolyproline II helixtrans-100.5160176.147.70000110.8Y33 E39 F41 N173Y33-T35 HydrophobicContact CD1-CG2 4.37Å; Y33-T35 HydrophobicContact CE1-CG2 3.68Å; T35-E39 PolarHBondContact OG1-O 2.83Å; T35-F41 HydrophobicContact CG2-CB 4.02Å; T35-N173 WeakPolarHBondContact O-CB 3.47Å; T35-N173 PolarHBondContact O-ND2 3.25Å; T35-N173 VanDerWaalsContact O-ND2 3.14Å; T35-N173 PolarHBondContact OG1-ND2 2.54Å
36P96.2Very high96.5Very high69 Ų6951 Ų5145%0.44828%0.28SS..PPolyproline II helixtrans-55.8152.8173.4-24.535000113E39 N173P36-E39 WeakPolarHBondContact O-CB 3.38Å; P36-E39 PolarHBondContact O-N 3.05Å; P36-E39 VanDerWaalsContact O-N 3.12Å; P36-N173 PolarHBondContact O-ND2 3.01Å
37P93.6Very high96.5Very high64 Ų6448.9 Ų48.942%0.41627%0.269SS..THydrogen-bonded Turntrans-51.5141.9171.5-23.933.3000111.8E39 N170P37-E39 PolarHBondContact O-N 3.36Å; P37-N170 WeakPolarHBondContact CB-OD1 3.4Å
38G93.1Very high96.5Very high33 Ų3355.6 Ų55.634%0.3429%0.294SS..THydrogen-bonded Turntrans83.4-13.5-176.400000114.7R167 N170G38-R167 WeakPolarHBondContact O-CD 3.28Å; G38-R167 WeakPolarHBondContact O-CG 3.3Å; G38-N170 PolarHBondContact N-OD1 2.92Å
39E93.7Very high96.5Very high112 Ų11255.7 Ų55.752%0.52329%0.292SS..  trans-104.7154.9179.5-61.9-177.5-158.700112.9T35 P36 P37 N173T35-E39 PolarHBondContact OG1-O 2.83Å; P36-E39 WeakPolarHBondContact O-CB 3.38Å; P36-E39 PolarHBondContact O-N 3.05Å; P36-E39 VanDerWaalsContact O-N 3.12Å; P37-E39 PolarHBondContact O-N 3.36Å; E39-N173 PolarHBondContact O-ND2 2.62Å
40G92.4Very high96.5Very high19 Ų1955.3 Ų55.320%0.19629%0.29CS..  trans-114.1147.6171.400000110.3Q42G40-Q42 PolarHBondContact O-N 2.87Å
41F94Very high96.6Very high64 Ų6457.2 Ų57.228%0.28130%0.302SS..  trans-65.9132.2178.654.2-96.7000111.5N13 Y33 T35 M83N13-F41 HydrophobicContact CB-CB 4.2Å; N13-F41 HydrophobicContact CB-CD1 3.58Å; N13-F41 HydrophobicContact CB-CD2 3.82Å; N13-F41 HydrophobicContact CB-CE1 3.82Å; N13-F41 HydrophobicContact CB-CE2 4.06Å; N13-F41 HydrophobicContact CB-CG 3.58Å; N13-F41 HydrophobicContact CB-CZ 4.05Å; Y33-F41 HydrophobicContact CD1-CB 3.71Å; Y33-F41 HydrophobicContact CE1-CB 3.8Å; T35-F41 HydrophobicContact CG2-CB 4.02Å; F41-M83 HydrophobicContact CD2-CE 3.51Å; F41-M83 HydrophobicContact CD2-SD 4Å; F41-M83 HydrophobicContact CE2-CE 3.44Å; F41-M83 VanDerWaalsContact CE2-CE 3.44Å; F41-M83 HydrophobicContact CE2-SD 3.97Å
42Q95.6Very high96.6Very high113 Ų11359 Ų5953%0.52832%0.316SS..  trans-97.8149.2-179.4-65.5-59.1-35.900110.6G40 T44 E45 T46G40-Q42 PolarHBondContact O-N 2.87Å; Q42-T44 VanDerWaalsContact C-N 3.34Å; Q42-T44 PolarHBondContact O-N 3.24Å; Q42-E45 HydrophobicContact CB-CB 4.49Å; Q42-E45 WeakPolarHBondContact CB-OE2 3.23Å; Q42-E45 PolarHBondContact O-N 3.15Å; Q42-T46 VanDerWaalsContact O-CB 3.29Å; Q42-T46 WeakPolarHBondContact O-CB 3.41Å; Q42-T46 PolarHBondContact O-N 3.23Å; Q42-T46 PolarHBondContact O-OG1 3.38Å
43P97Very high96.7Very high52 Ų5259.4 Ų59.434%0.33832%0.315SS..Hα-helixtrans-58-41.3-175.2-27.234.8000114.1A47 M83P43-A47 VanDerWaalsContact O-CB 3.32Å; P43-A47 WeakPolarHBondContact O-CB 3.47Å; P43-A47 PolarHBondContact O-N 3.21Å; P43-M83 HydrophobicContact CB-SD 4.25Å; P43-M83 HydrophobicContact CG-SD 4Å
44T97.3Very high96.7Very high71 Ų7157 Ų5744%0.43631%0.306SS..Hα-helixtrans-68.6-49-176.6-550000111.4Q42 T46 A47 R48Q42-T44 VanDerWaalsContact C-N 3.34Å; Q42-T44 PolarHBondContact O-N 3.24Å; T44-T46 VanDerWaalsContact C-N 3.34Å; T44-A47 PolarHBondContact O-N 3.29Å; T44-R48 WeakPolarHBondContact O-CG 3.3Å; T44-R48 PolarHBondContact O-N 2.91Å
45E98Very high96.8Very high69 Ų6958 Ų5832%0.32231%0.311SS..Hα-helixtrans-63.8-42.2179.9-71.259.7-135.400110.4Y33 Q42 A47 R48 F49Y33-E45 HydrophobicContact CE1-CB 4.13Å; Q42-E45 HydrophobicContact CB-CB 4.49Å; Q42-E45 WeakPolarHBondContact CB-OE2 3.23Å; Q42-E45 PolarHBondContact O-N 3.15Å; E45-A47 PolarHBondContact O-N 3.05Å; E45-R48 PolarHBondContact O-N 3.15Å; E45-R48 IonicContact OE1-NH1 3.57Å; E45-R48 PolarHBondContact OE1-NH1 2.9Å; E45-R48 VanDerWaalsContact OE1-NH1 3.1Å; E45-F49 PolarHBondContact O-N 2.78Å
46T98.4Very high96.9Very high0 Ų063.5 Ų63.50%034%0.335CS..Hα-helixtrans-62.6-43.1174.9-53.60000111.4A12 N13 Y33 Q42 T44 R48 F49 H50 M83 P86A12-T46 WeakPolarHBondContact O-CG2 3.4Å; N13-T46 HydrophobicContact CB-CG2 4.44Å; Y33-T46 HydrophobicContact CD1-CG2 4.41Å; Y33-T46 WeakPolarHBondContact CD1-OG1 3.45Å; Q42-T46 VanDerWaalsContact O-CB 3.29Å; Q42-T46 WeakPolarHBondContact O-CB 3.41Å; Q42-T46 PolarHBondContact O-N 3.23Å; Q42-T46 PolarHBondContact O-OG1 3.38Å; T44-T46 VanDerWaalsContact C-N 3.34Å; T46-R48 PolarHBondContact O-N 3.38Å; T46-F49 PolarHBondContact O-N 3.34Å; T46-H50 PolarHBondContact O-CD2 2.82Å; T46-H50 PolarHBondContact O-N 2.96Å; T46-M83 HydrophobicContact CG2-CE 3.9Å; T46-P86 HydrophobicContact CG2-CB 4.45Å; T46-P86 HydrophobicContact CG2-CG 3.83Å
47A98.5Very high97Very high5 Ų560.6 Ų60.64%0.04132%0.316CS..Hα-helixtrans-64.1-39.8177.300000112.2P43 T44 E45 H50 Q51 A85 P86P43-A47 VanDerWaalsContact O-CB 3.32Å; P43-A47 WeakPolarHBondContact O-CB 3.47Å; P43-A47 PolarHBondContact O-N 3.21Å; T44-A47 PolarHBondContact O-N 3.29Å; E45-A47 PolarHBondContact O-N 3.05Å; A47-H50 PolarHBondContact O-N 3.28Å; A47-Q51 VanDerWaalsContact O-CG 3.23Å; A47-Q51 WeakPolarHBondContact O-CG 3.01Å; A47-Q51 PolarHBondContact O-N 3.31Å; A47-A85 HydrophobicContact CB-CB 3.68Å; A47-P86 HydrophobicContact CB-CG 4.29Å
48R98.6Very high97.3Very high147 Ų14757.9 Ų57.956%0.55530%0.299SS*.Hα-helixtrans-61.7-44.6173.8-71.9-179.7-171.5131.41.3111.3T44 E45 T46 H50 Q51 S52T44-R48 WeakPolarHBondContact O-CG 3.3Å; T44-R48 PolarHBondContact O-N 2.91Å; E45-R48 PolarHBondContact O-N 3.15Å; E45-R48 IonicContact OE1-NH1 3.57Å; E45-R48 PolarHBondContact OE1-NH1 2.9Å; E45-R48 VanDerWaalsContact OE1-NH1 3.1Å; T46-R48 PolarHBondContact O-N 3.38Å; R48-H50 VanDerWaalsContact C-N 3.32Å; R48-H50 PolarHBondContact O-N 3.42Å; R48-Q51 PolarHBondContact O-N 2.93Å; R48-S52 PolarHBondContact O-N 3.33Å; R48-S52 VanDerWaalsContact O-N 3.11Å
49F98.7Very high97.5Very high40 Ų4062.3 Ų62.318%0.17531%0.31CS..Hα-helixtrans-61-41.4174.7175.8-94.6000111.4V31 Y33 E45 T46 S52 H53V31-F49 HydrophobicContact CB-CE1 4.4Å; V31-F49 HydrophobicContact CB-CZ 4.15Å; V31-F49 HydrophobicContact CG2-CE1 3.71Å; V31-F49 HydrophobicContact CG2-CZ 3.86Å; Y33-F49 HydrophobicContact CD2-CB 4.05Å; Y33-F49 HydrophobicContact CD2-CD1 4.43Å; Y33-F49 AromaticContact CD2-CD2 3.92Å; Y33-F49 HydrophobicContact CD2-CD2 3.92Å; Y33-F49 AromaticContact CD2-CG 3.89Å; Y33-F49 HydrophobicContact CD2-CG 3.89Å; Y33-F49 HydrophobicContact CG-CB 4.2Å; Y33-F49 HydrophobicContact CG-CD1 4.23Å; Y33-F49 HydrophobicContact CG-CG 4.07Å; E45-F49 PolarHBondContact O-N 2.78Å; T46-F49 PolarHBondContact O-N 3.34Å; F49-S52 PolarHBondContact O-N 3.48Å; F49-S52 PolarHBondContact O-OG 2.86Å; F49-H53 AromaticContact CD2-CE1 3.4Å; F49-H53 VanDerWaalsContact CD2-CE1 3.4Å; F49-H53 WeakPolarHBondContact CD2-CE1 3.37Å; F49-H53 AromaticContact CD2-ND1 3.65Å; F49-H53 AromaticContact CE2-CE1 3.17Å; F49-H53 WeakPolarHBondContact CE2-CE1 3.25Å; F49-H53 AromaticContact CE2-ND1 3.59Å; F49-H53 AromaticContact CE2-NE2 3.88Å; F49-H53 AromaticContact CG-ND1 3.98Å; F49-H53 AromaticContact CZ-CE1 3.8Å; F49-H53 AromaticContact CZ-ND1 3.87Å; F49-H53 PolarHBondContact O-N 2.92Å; F49-H53 PolarHBondContact O-ND1 2.8Å
50H98.7Very high97.8Very high0 Ų061.8 Ų61.80%031%0.306CS..Hα-helixtrans-63.4-44.3175.4-68.3-176.5000111.9G10 A12 L15 T46 A47 R48 S52 H53 I54 T89G10-H50 PolarHBondContact O-CE1 3.49Å; A12-H50 PolarHBondContact O-CE1 2.82Å; A12-H50 PolarHBondContact O-NE2 3.36Å; L15-H50 HydrophobicContact CD1-CB 4.43Å; L15-H50 HydrophobicContact CD2-CB 4.09Å; T46-H50 PolarHBondContact O-CD2 2.82Å; T46-H50 PolarHBondContact O-N 2.96Å; A47-H50 PolarHBondContact O-N 3.28Å; R48-H50 VanDerWaalsContact C-N 3.32Å; R48-H50 PolarHBondContact O-N 3.42Å; H50-S52 VanDerWaalsContact C-N 3.26Å; H50-S52 PolarHBondContact O-N 3.35Å; H50-H53 PolarHBondContact O-N 2.98Å; H50-H53 VanDerWaalsContact O-N 3.16Å; H50-I54 VanDerWaalsContact O-CB 3.29Å; H50-I54 WeakPolarHBondContact O-CB 3.47Å; H50-I54 WeakPolarHBondContact O-CG2 3.47Å; H50-I54 PolarHBondContact O-N 2.82Å; H50-T89 HydrophobicContact CB-CG2 3.88Å
51Q98.7Very high98.1Very high118 Ų11860.9 Ų60.955%0.55130%0.297SS*.Hα-helixtrans-58.8-37.2179.7-74.1167.47.400112.4A47 R48 H53 T89A47-Q51 VanDerWaalsContact O-CG 3.23Å; A47-Q51 WeakPolarHBondContact O-CG 3.01Å; A47-Q51 PolarHBondContact O-N 3.31Å; R48-Q51 PolarHBondContact O-N 2.93Å; Q51-H53 VanDerWaalsContact C-N 3.35Å; Q51-T89 HydrophobicContact CB-CG2 4.43Å; Q51-T89 HydrophobicContact CG-CG2 3.56Å; Q51-T89 PolarHBondContact NE2-OG1 3.5Å
52S98.5Very high98.3Very high80 Ų8059.5 Ų59.556%0.55929%0.292SS*.Hα-helixtrans-75.7-18.7-179.865.70000114.3R48 F49 H50R48-S52 PolarHBondContact O-N 3.33Å; R48-S52 VanDerWaalsContact O-N 3.11Å; F49-S52 PolarHBondContact O-N 3.48Å; F49-S52 PolarHBondContact O-OG 2.86Å; H50-S52 VanDerWaalsContact C-N 3.26Å; H50-S52 PolarHBondContact O-N 3.35Å
53H98.7Very high98.4Very high54 Ų5462.4 Ų62.425%0.2530%0.303CS..Hα-helixtrans-115.2-22.2-173.4-64.390.6000114.6L15 V31 F49 H50 Q51 I55 E56 L57L15-H53 HydrophobicContact CD2-CB 4.06Å; V31-H53 HydrophobicContact CG2-CB 4.13Å; F49-H53 AromaticContact CD2-CE1 3.4Å; F49-H53 VanDerWaalsContact CD2-CE1 3.4Å; F49-H53 WeakPolarHBondContact CD2-CE1 3.37Å; F49-H53 AromaticContact CD2-ND1 3.65Å; F49-H53 AromaticContact CE2-CE1 3.17Å; F49-H53 WeakPolarHBondContact CE2-CE1 3.25Å; F49-H53 AromaticContact CE2-ND1 3.59Å; F49-H53 AromaticContact CE2-NE2 3.88Å; F49-H53 AromaticContact CG-ND1 3.98Å; F49-H53 AromaticContact CZ-CE1 3.8Å; F49-H53 AromaticContact CZ-ND1 3.87Å; F49-H53 PolarHBondContact O-N 2.92Å; F49-H53 PolarHBondContact O-ND1 2.8Å; H50-H53 PolarHBondContact O-N 2.98Å; H50-H53 VanDerWaalsContact O-N 3.16Å; Q51-H53 VanDerWaalsContact C-N 3.35Å; H53-I55 PolarHBondContact O-N 2.68Å; H53-E56 PolarHBondContact O-N 2.85Å; H53-L57 HydrophobicContact CB-CD1 4.19Å; H53-L57 PolarHBondContact O-N 3.03Å
54I98.8Very high98.5Very high3 Ų364.2 Ų64.22%0.01531%0.307CS..Hα-helixtrans-61.4-37.9-168.5-168.5165.2000114.3I8 L15 H50 L57 V58 T89 V90 V93I8-I54 HydrophobicContact CG2-CD1 4.02Å; L15-I54 HydrophobicContact CD1-CB 4.39Å; L15-I54 HydrophobicContact CD1-CD1 4.01Å; L15-I54 HydrophobicContact CD1-CG1 4.12Å; L15-I54 HydrophobicContact CD2-CB 3.8Å; L15-I54 HydrophobicContact CD2-CG1 4.35Å; H50-I54 VanDerWaalsContact O-CB 3.29Å; H50-I54 WeakPolarHBondContact O-CB 3.47Å; H50-I54 WeakPolarHBondContact O-CG2 3.47Å; H50-I54 PolarHBondContact O-N 2.82Å; I54-L57 PolarHBondContact O-N 2.8Å; I54-V58 WeakPolarHBondContact O-CG2 3.44Å; I54-V58 PolarHBondContact O-N 2.97Å; I54-T89 HydrophobicContact CD1-CG2 4.48Å; I54-V90 HydrophobicContact CD1-CG2 4.14Å; I54-V93 HydrophobicContact CD1-CB 3.77Å; I54-V93 HydrophobicContact CD1-CG1 4.08Å; I54-V93 HydrophobicContact CD1-CG2 3.75Å; I54-V93 HydrophobicContact CG1-CB 4.36Å; I54-V93 HydrophobicContact CG1-CG1 4.16Å; I54-V93 HydrophobicContact CG1-CG2 4.23Å; I54-V93 HydrophobicContact CG2-CG2 3.83Å
55I98.6Very high98.5Very high92 Ų9261.4 Ų61.447%0.47229%0.291SS..Hα-helixtrans-70.4-43.4-179.9-55.1-55.4000110.9H53 L57 V58 Q59 V93H53-I55 PolarHBondContact O-N 2.68Å; I55-L57 VanDerWaalsContact C-N 3.31Å; I55-L57 PolarHBondContact O-N 3.13Å; I55-V58 PolarHBondContact O-N 3.39Å; I55-Q59 WeakPolarHBondContact O-CG 3.36Å; I55-Q59 PolarHBondContact O-N 2.87Å; I55-V93 HydrophobicContact CD1-CG1 4.21Å; I55-V93 HydrophobicContact CD1-CG2 4.26Å
56E98.5Very high98.5Very high128 Ų12868.8 Ų68.860%0.59832%0.316SS*.Hα-helixtrans-61.7-41.7175.8-173.9-176.3168.700111H53 V58 Q59 K60H53-E56 PolarHBondContact O-N 2.85Å; E56-V58 PolarHBondContact O-N 2.93Å; E56-Q59 PolarHBondContact O-N 2.53Å; E56-K60 VanDerWaalsContact O-CB 3.31Å; E56-K60 WeakPolarHBondContact O-CB 3.22Å; E56-K60 PolarHBondContact O-N 2.83Å
57L98.4Very high98.4Very high8 Ų869.1 Ų69.14%0.04232%0.318CS..Hα-helixtrans-62.7-41.1175.9-87.2160.2000113.2L15 V17 P29 V31 H53 I54 I55 K60 A61L15-L57 HydrophobicContact CB-CD1 4.33Å; L15-L57 HydrophobicContact CD2-CD1 3.58Å; L15-L57 HydrophobicContact CG-CD1 3.72Å; V17-L57 HydrophobicContact CG2-CB 3.88Å; P29-L57 HydrophobicContact CB-CD2 3.76Å; P29-L57 HydrophobicContact CG-CD2 4.11Å; V31-L57 HydrophobicContact CB-CD1 4.41Å; V31-L57 HydrophobicContact CG1-CD1 4.12Å; V31-L57 HydrophobicContact CG1-CD2 4.4Å; V31-L57 HydrophobicContact CG2-CD1 3.57Å; H53-L57 HydrophobicContact CB-CD1 4.19Å; H53-L57 PolarHBondContact O-N 3.03Å; I54-L57 PolarHBondContact O-N 2.8Å; I55-L57 VanDerWaalsContact C-N 3.31Å; I55-L57 PolarHBondContact O-N 3.13Å; L57-K60 PolarHBondContact O-N 3.4Å; L57-A61 WeakPolarHBondContact O-CB 3.25Å; L57-A61 PolarHBondContact O-N 3.2Å
58V98.8Very high98.3Very high8 Ų873 Ų735%0.04834%0.338CS..Hα-helixtrans-61.2-47.8174.3168.50000110.6L6 I8 V17 I54 I55 E56 K60 A61 I62 L97 W101L6-V58 HydrophobicContact CD1-CG1 4.34Å; I8-V58 HydrophobicContact CD1-CG2 4.37Å; V17-V58 HydrophobicContact CG1-CG2 4.22Å; V17-V58 HydrophobicContact CG2-CG2 3.85Å; I54-V58 WeakPolarHBondContact O-CG2 3.44Å; I54-V58 PolarHBondContact O-N 2.97Å; I55-V58 PolarHBondContact O-N 3.39Å; E56-V58 PolarHBondContact O-N 2.93Å; V58-K60 VanDerWaalsContact C-N 3.32Å; V58-K60 PolarHBondContact O-N 3.24Å; V58-A61 PolarHBondContact O-N 3.41Å; V58-I62 HydrophobicContact CG1-CD1 3.87Å; V58-I62 WeakPolarHBondContact O-CG1 3.26Å; V58-I62 PolarHBondContact O-N 2.78Å; V58-L97 HydrophobicContact CG1-CD1 3.95Å; V58-L97 HydrophobicContact CG2-CD1 4.07Å; V58-W101 HydrophobicContact CG1-CH2 4.31Å
59Q98.3Very high98.2Very high125 Ų12567.3 Ų67.358%0.58432%0.321SS*.Hα-helixtrans-61-42.5177.8-70.6174.6-1800111.8I55 E56 I62 K63I55-Q59 WeakPolarHBondContact O-CG 3.36Å; I55-Q59 PolarHBondContact O-N 2.87Å; E56-Q59 PolarHBondContact O-N 2.53Å; Q59-I62 PolarHBondContact O-N 2.8Å; Q59-K63 WeakPolarHBondContact O-CB 3.24Å; Q59-K63 PolarHBondContact O-N 2.88Å
60K98.5Very high98.1Very high102 Ų10269.1 Ų69.144%0.44334%0.338SS..Hα-helixtrans-61.8-46.5176.3-176.5173175.4177.70111.5P29 E56 L57 V58 I62 K63 E64P29-K60 HydrophobicContact CB-CD 3.82Å; P29-K60 HydrophobicContact CB-CG 4.07Å; P29-K60 HydrophobicContact CG-CB 4.42Å; P29-K60 HydrophobicContact CG-CD 4.44Å; P29-K60 HydrophobicContact CG-CG 4.18Å; E56-K60 VanDerWaalsContact O-CB 3.31Å; E56-K60 WeakPolarHBondContact O-CB 3.22Å; E56-K60 PolarHBondContact O-N 2.83Å; L57-K60 PolarHBondContact O-N 3.4Å; V58-K60 VanDerWaalsContact C-N 3.32Å; V58-K60 PolarHBondContact O-N 3.24Å; K60-I62 PolarHBondContact O-N 3.03Å; K60-K63 PolarHBondContact O-N 3.32Å; K60-E64 WeakPolarHBondContact CE-OE1 3.41Å; K60-E64 HydrophobicContact CG-CG 4.37Å; K60-E64 WeakPolarHBondContact CG-OE1 3.45Å; K60-E64 IonicContact NZ-OE1 2.76Å; K60-E64 WeakPolarHBondContact O-CB 3.44Å; K60-E64 WeakPolarHBondContact O-CG 3.47Å; K60-E64 PolarHBondContact O-N 3.49Å
61A98.7Very high98Very high0 Ų072.8 Ų72.80%036%0.355CS..Hα-helixtrans-61.4-45.317900000112.1V17 I19 A27 P29 L57 V58 K63 E64 A65V17-A61 HydrophobicContact CB-CB 4Å; V17-A61 HydrophobicContact CG1-CB 3.64Å; I19-A61 HydrophobicContact CD1-CB 4.33Å; I19-A61 HydrophobicContact CG1-CB 4.4Å; A27-A61 HydrophobicContact CB-CB 4.22Å; A27-A61 VanDerWaalsContact CB-O 3.23Å; A27-A61 WeakPolarHBondContact CB-O 3.38Å; P29-A61 HydrophobicContact CG-CB 3.77Å; L57-A61 WeakPolarHBondContact O-CB 3.25Å; L57-A61 PolarHBondContact O-N 3.2Å; V58-A61 PolarHBondContact O-N 3.41Å; A61-K63 VanDerWaalsContact C-N 3.34Å; A61-K63 PolarHBondContact O-N 3.23Å; A61-E64 PolarHBondContact O-N 2.81Å; A61-A65 VanDerWaalsContact O-CB 3.27Å; A61-A65 WeakPolarHBondContact O-CB 3.46Å; A61-A65 PolarHBondContact O-N 3.12Å
62I98.5Very high97.9Very high35 Ų3567.2 Ų67.218%0.17933%0.329CS..Hα-helixtrans-59.2-46.4176.1-70.7170000110.8L6 I19 V58 Q59 K60 A65 R66 V67 P69 W101L6-I62 HydrophobicContact CD1-CG1 4.27Å; I19-I62 HydrophobicContact CD1-CG1 4.14Å; V58-I62 HydrophobicContact CG1-CD1 3.87Å; V58-I62 WeakPolarHBondContact O-CG1 3.26Å; V58-I62 PolarHBondContact O-N 2.78Å; Q59-I62 PolarHBondContact O-N 2.8Å; K60-I62 PolarHBondContact O-N 3.03Å; I62-A65 PolarHBondContact O-N 2.91Å; I62-R66 PolarHBondContact O-N 2.67Å; I62-V67 VanDerWaalsContact CG2-O 3.31Å; I62-V67 WeakPolarHBondContact CG2-O 3.28Å; I62-V67 PolarHBondContact O-N 2.83Å; I62-P69 HydrophobicContact CD1-CG 4.34Å; I62-W101 HydrophobicContact CD1-CH2 3.84Å; I62-W101 HydrophobicContact CD1-CZ2 4.08Å
63K98.3Very high97.9Very high173 Ų17364.4 Ų64.475%0.75231%0.308SS*.Hα-helixtrans-65.1-43.9179.6-175.2-179.8178.5-178.20112.5Q59 K60 A61 R66Q59-K63 WeakPolarHBondContact O-CB 3.24Å; Q59-K63 PolarHBondContact O-N 2.88Å; K60-K63 PolarHBondContact O-N 3.32Å; A61-K63 VanDerWaalsContact C-N 3.34Å; A61-K63 PolarHBondContact O-N 3.23Å; K63-R66 PolarHBondContact O-N 2.98Å
64E98.4Very high97.9Very high90 Ų9061.9 Ų61.942%0.42130%0.296SS..Hα-helixtrans-64.6-43.7177.7-76.8178.7-173.800111.6A27 P29 K60 A61 R66A27-E64 HydrophobicContact CB-CB 3.8Å; P29-E64 WeakPolarHBondContact CD-OE2 3.44Å; K60-E64 WeakPolarHBondContact CE-OE1 3.41Å; K60-E64 HydrophobicContact CG-CG 4.37Å; K60-E64 WeakPolarHBondContact CG-OE1 3.45Å; K60-E64 IonicContact NZ-OE1 2.76Å; K60-E64 WeakPolarHBondContact O-CB 3.44Å; K60-E64 WeakPolarHBondContact O-CG 3.47Å; K60-E64 PolarHBondContact O-N 3.49Å; A61-E64 PolarHBondContact O-N 2.81Å; E64-R66 PolarHBondContact O-N 3.01Å
65A98.2Very high97.9Very high13 Ų1361.7 Ų61.711%0.10730%0.295CS..Hα-helixtrans-70.3-21.7178.700000113.2I19 L26 A27 A61 I62 V67I19-A65 HydrophobicContact CB-CB 3.94Å; I19-A65 HydrophobicContact CD1-CB 3.71Å; I19-A65 HydrophobicContact CG1-CB 4.35Å; I19-A65 HydrophobicContact CG2-CB 4.03Å; L26-A65 HydrophobicContact CB-CB 3.65Å; L26-A65 HydrophobicContact CD1-CB 4.45Å; A27-A65 HydrophobicContact CB-CB 3.95Å; A61-A65 VanDerWaalsContact O-CB 3.27Å; A61-A65 WeakPolarHBondContact O-CB 3.46Å; A61-A65 PolarHBondContact O-N 3.12Å; I62-A65 PolarHBondContact O-N 2.91Å; A65-V67 VanDerWaalsContact C-N 3.31Å; A65-V67 HydrophobicContact CB-CB 4.35Å; A65-V67 HydrophobicContact CB-CG2 3.88Å; A65-V67 PolarHBondContact O-N 2.99Å
66R97.7Very high97.9Very high223 Ų22357.3 Ų57.384%0.84227%0.273SS*.THydrogen-bonded Turntrans55.645.8-173.8-52.4178.3-176.3-1760.5111.9I62 K63 E64I62-R66 PolarHBondContact O-N 2.67Å; K63-R66 PolarHBondContact O-N 2.98Å; E64-R66 PolarHBondContact O-N 3.01Å
67V96.1Very high97.9Very high7 Ų751.2 Ų51.24%0.04224%0.244CC..  trans-116.8133.1-179.1177.30000108.6I4 L26 I62 A65 E71 L72I4-V67 HydrophobicContact CG2-CG1 4.38Å; L26-V67 HydrophobicContact CD1-CG2 3.84Å; I62-V67 VanDerWaalsContact CG2-O 3.31Å; I62-V67 WeakPolarHBondContact CG2-O 3.28Å; I62-V67 PolarHBondContact O-N 2.83Å; A65-V67 VanDerWaalsContact C-N 3.31Å; A65-V67 HydrophobicContact CB-CB 4.35Å; A65-V67 HydrophobicContact CB-CG2 3.88Å; A65-V67 PolarHBondContact O-N 2.99Å; V67-E71 HydrophobicContact CG1-CB 3.78Å; V67-L72 HydrophobicContact CG1-CD2 4.1Å; V67-L72 HydrophobicContact CG1-CG 4.46Å
68D96.6Very high97.9Very high86 Ų8650.9 Ų50.946%0.4624%0.242SC..  trans-77.1140.2168.7-175.3-88.7000110.2S70 E71D68-S70 PolarHBondContact O-N 3.16Å; D68-S70 WeakPolarHBondContact OD1-CB 3.36Å; D68-S70 PolarHBondContact OD1-N 3.33Å; D68-S70 PolarHBondContact OD1-OG 3.22Å; D68-E71 HydrophobicContact CB-CG 4.33Å; D68-E71 PolarHBondContact N-OE2 3.48Å; D68-E71 VanDerWaalsContact O-CB 3.32Å; D68-E71 WeakPolarHBondContact O-CB 3.36Å; D68-E71 PolarHBondContact O-N 2.82Å
69P95.8Very high97.9Very high29 Ų2952.1 Ų52.119%0.18825%0.247CC..G310 helixtrans-53.6-25.7178.1-28.436000115.2I62 E71 L72 W101 K103I62-P69 HydrophobicContact CD1-CG 4.34Å; P69-E71 VanDerWaalsContact C-N 3.27Å; P69-E71 PolarHBondContact O-N 2.69Å; P69-L72 WeakPolarHBondContact O-CB 3.44Å; P69-L72 PolarHBondContact O-N 2.81Å; P69-W101 HydrophobicContact CB-CD2 3.74Å; P69-W101 HydrophobicContact CB-CE3 4.27Å; P69-W101 HydrophobicContact CB-CG 3.99Å; P69-W101 HydrophobicContact CB-CH2 4.49Å; P69-W101 HydrophobicContact CB-CZ2 3.98Å; P69-W101 HydrophobicContact CG-CZ2 3.98Å; P69-K103 WeakPolarHBondContact O-CE 3.41Å
70S96.5Very high97.9Very high78 Ų7846.1 Ų46.155%0.54522%0.219SC..G310 helixtrans-67.7-24.5174.767.30000113.6D68 K103D68-S70 PolarHBondContact O-N 3.16Å; D68-S70 WeakPolarHBondContact OD1-CB 3.36Å; D68-S70 PolarHBondContact OD1-N 3.33Å; D68-S70 PolarHBondContact OD1-OG 3.22Å; S70-K103 PolarHBondContact O-NZ 3.1Å
71E96.7Very high97.9Very high76 Ų7642.1 Ų42.136%0.35520%0.204SC..G310 helixtrans-78.2-20.9176.6-63.6178.575.900113.2I4 R21 V67 D68 P69I4-E71 HydrophobicContact CD1-CB 4.4Å; R21-E71 IonicContact NH2-OE1 3.21Å; V67-E71 HydrophobicContact CG1-CB 3.78Å; D68-E71 HydrophobicContact CB-CG 4.33Å; D68-E71 PolarHBondContact N-OE2 3.48Å; D68-E71 VanDerWaalsContact O-CB 3.32Å; D68-E71 WeakPolarHBondContact O-CB 3.36Å; D68-E71 PolarHBondContact O-N 2.82Å; P69-E71 VanDerWaalsContact C-N 3.27Å; P69-E71 PolarHBondContact O-N 2.69Å
72L98.1Very high97.8Very high1 Ų143.3 Ų43.31%0.00522%0.216CC..  trans-63.6137.9177.2-63.2175.3000110.5I4 L6 I19 V67 P69 W101 K103I4-L72 HydrophobicContact CG2-CD2 3.81Å; L6-L72 HydrophobicContact CB-CD1 3.97Å; L6-L72 HydrophobicContact CB-CD2 4.22Å; L6-L72 HydrophobicContact CD1-CD1 4.35Å; I19-L72 HydrophobicContact CG2-CD2 4.39Å; V67-L72 HydrophobicContact CG1-CD2 4.1Å; V67-L72 HydrophobicContact CG1-CG 4.46Å; P69-L72 WeakPolarHBondContact O-CB 3.44Å; P69-L72 PolarHBondContact O-N 2.81Å; L72-W101 HydrophobicContact CD1-CE3 3.95Å; L72-W101 HydrophobicContact CD1-CH2 4.45Å; L72-W101 HydrophobicContact CD1-CZ3 3.66Å; L72-K103 VanDerWaalsContact O-CD 3.23Å; L72-K103 WeakPolarHBondContact O-CD 3.24Å; L72-K103 WeakPolarHBondContact O-CE 3.4Å; L72-K103 PolarHBondContact O-NZ 2.98Å
73D98.1Very high97.7Very high22 Ų2243.2 Ų43.212%0.11822%0.215CC..  trans-90.1-31.4177.3-64.3-66.2000111.9T3 I4 I5 P104 F308T3-D73 WeakPolarHBondContact CA-OD2 3.18Å; T3-D73 HydrophobicContact CG2-CB 4.37Å; I4-D73 PolarHBondContact N-OD2 2.79Å; I4-D73 PolarHBondContact O-N 3.08Å; I5-D73 HydrophobicContact CD1-CB 4.36Å; D73-P104 VanDerWaalsContact O-CD 3.3Å; D73-P104 WeakPolarHBondContact O-CD 3.34Å; D73-F308 HydrophobicContact CB-CD1 4.43Å; D73-F308 HydrophobicContact CB-CE1 3.83Å; D73-F308 HydrophobicContact CB-CZ 4.08Å
74A98.2Very high97.7Very high0 Ų035.5 Ų35.50%019%0.185CC..EExtended strand (participates in β ladder)trans-158169.917500000112.6I5 L6 P104 I106 F308I5-A74 HydrophobicContact CD1-CB 3.37Å; L6-A74 PolarHBondContact N-O 3.43Å; A74-P104 WeakPolarHBondContact CA-O 3.39Å; A74-P104 HydrophobicContact CB-CB 4.21Å; A74-P104 WeakPolarHBondContact CB-O 3.5Å; A74-I106 HydrophobicContact CB-CD1 3.85Å; A74-I106 HydrophobicContact CB-CG1 4.24Å; A74-F308 HydrophobicContact CB-CD2 3.92Å; A74-F308 HydrophobicContact CB-CE2 4.12Å
75V98.7Very high97.7Very high0 Ų033 Ų330%018%0.179CC..EExtended strand (participates in β ladder)trans-112.8120.3170.2-179.20000109.2L6 A94 L97 A98 W101 P104 L105 I106L6-V75 HydrophobicContact CD2-CG1 4.14Å; L6-V75 CarbonylContact O-C 3.44Å; V75-A94 HydrophobicContact CG1-CB 4.05Å; V75-L97 HydrophobicContact CG2-CB 4.5Å; V75-A98 HydrophobicContact CB-CB 4.33Å; V75-A98 HydrophobicContact CG2-CB 4.39Å; V75-W101 HydrophobicContact CG2-CE3 4.14Å; V75-W101 HydrophobicContact CG2-CZ3 4.25Å; V75-P104 PolarHBondContact N-O 3.14Å; V75-L105 HydrophobicContact CB-CD1 4.23Å; V75-L105 HydrophobicContact CG1-CD1 4.26Å; V75-L105 CarbonylContact O-C 3.56Å; V75-L105 WeakPolarHBondContact O-CA 3.26Å; V75-L105 WeakPolarHBondContact O-CD1 3.48Å; V75-I106 PolarHBondContact O-N 2.88Å
76A98.8Very high97.7Very high0 Ų032.4 Ų32.40%017%0.174CC..EExtended strand (participates in β ladder)trans-100.6146.4174.500000111.1I5 L6 G7 I8 I106 V108 I300I5-A76 HydrophobicContact CG2-CB 3.64Å; L6-A76 PolarHBondContact O-N 2.93Å; G7-A76 CarbonylContact C-O 3.59Å; G7-A76 VanDerWaalsContact CA-O 3.31Å; G7-A76 WeakPolarHBondContact CA-O 3.23Å; I8-A76 PolarHBondContact N-O 3.13Å; A76-I106 WeakPolarHBondContact CA-O 3.42Å; A76-I106 HydrophobicContact CB-CB 4.21Å; A76-V108 HydrophobicContact CB-CG2 4.01Å; A76-I300 HydrophobicContact CB-CG2 3.9Å
77Y98.9Very high97.8Very high0 Ų021.8 Ų21.80%013%0.134CC..EExtended strand (participates in β ladder)trans-147159.5175.275.4-73.1000110.7I8 K79 A91 A94 L105 I106 V108 S319 V321I8-Y77 WeakPolarHBondContact O-CA 3.33Å; Y77-K79 HydrophobicContact CE2-CB 4.27Å; Y77-K79 PolarHBondContact O-N 3.15Å; Y77-K79 VanDerWaalsContact O-N 3.15Å; Y77-A91 HydrophobicContact CD2-CB 3.85Å; Y77-A91 HydrophobicContact CE2-CB 3.76Å; Y77-A94 VanDerWaalsContact CB-CB 3.49Å; Y77-A94 HydrophobicContact CD1-CB 4.08Å; Y77-A94 HydrophobicContact CG-CB 3.82Å; Y77-L105 HydrophobicContact CD1-CD1 3.83Å; Y77-L105 HydrophobicContact CD1-CD2 4.21Å; Y77-L105 HydrophobicContact CD1-CG 3.92Å; Y77-L105 HydrophobicContact CE1-CD1 4.15Å; Y77-L105 HydrophobicContact CE1-CD2 3.69Å; Y77-L105 HydrophobicContact CE1-CG 3.73Å; Y77-I106 VanDerWaalsContact CD1-O 3.23Å; Y77-I106 WeakPolarHBondContact CD1-O 3.3Å; Y77-I106 PolarHBondContact N-O 3.35Å; Y77-V108 PolarHBondContact O-N 3.43Å; Y77-S319 WeakPolarHBondContact OH-CA 3.4Å; Y77-S319 WeakPolarHBondContact OH-CB 3.37Å; Y77-S319 PolarHBondContact OH-O 3.08Å; Y77-V321 HydrophobicContact CE2-CG1 4.21Å
78T98.8Very high97.9Very high0 Ų025.8 Ų25.80%016%0.155CC..EExtended strand (participates in β ladder)trans-71.9109.4175.9-51.30000110.2I8 E9 L87 H110 I300I8-T78 PolarHBondContact O-N 3.07Å; I8-T78 PolarHBondContact O-OG1 2.81Å; E9-T78 WeakPolarHBondContact CA-OG1 3.41Å; E9-T78 PolarHBondContact OE2-OG1 2.84Å; T78-L87 HydrophobicContact CG2-CD2 3.91Å; T78-H110 HydrophobicContact CG2-CB 3.73Å; T78-I300 VanDerWaalsContact OG1-CD1 3.25Å; T78-I300 WeakPolarHBondContact OG1-CD1 3.08Å
79K98.6Very high98Very high34 Ų3422.3 Ų22.315%0.14814%0.137CC..EExtended strand (participates in β ladder)trans-76.6-28.5173.8-170.1170.6178.8173.90111.3Y77 V108 F314 D318 V320 V321 S322 Y325Y77-K79 HydrophobicContact CE2-CB 4.27Å; Y77-K79 PolarHBondContact O-N 3.15Å; Y77-K79 VanDerWaalsContact O-N 3.15Å; K79-V108 PolarHBondContact N-O 3.38Å; K79-F314 HydrophobicContact CD-CE1 4.44Å; K79-D318 PolarHBondContact NZ-O 3.34Å; K79-V320 WeakPolarHBondContact CE-O 3.4Å; K79-V321 CarbonylContact O-C 3.52Å; K79-V321 VanDerWaalsContact O-CA 3.3Å; K79-V321 WeakPolarHBondContact O-CA 3.24Å; K79-S322 PolarHBondContact O-N 2.95Å; K79-Y325 HydrophobicContact CB-CD1 4.33Å; K79-Y325 HydrophobicContact CB-CE1 4.19Å; K79-Y325 HydrophobicContact CD-CE1 4.23Å; K79-Y325 HydrophobicContact CG-CD1 4.5Å; K79-Y325 HydrophobicContact CG-CE1 4.36Å
80G98.1Very high98.1Very high0 Ų020.9 Ų20.90%013%0.128CC..EExtended strand (participates in β ladder)trans153.3-178.9177.200000112.6N109 H110 S322G80-N109 CarbonylContact O-C 3.56Å; G80-N109 WeakPolarHBondContact O-CA 3.12Å; G80-H110 PolarHBondContact O-N 3.42Å; G80-S322 WeakPolarHBondContact CA-O 3.41Å
81P97.7Very high98.2Very high17 Ų1717.2 Ų17.211%0.1110%0.102CC..SBendcis-71176.2-4.931.1-36.2000112.2S11 Q323 Y325S11-P81 WeakPolarHBondContact CB-O 3.34Å; P81-Q323 VanDerWaalsContact CB-O 3.28Å; P81-Q323 WeakPolarHBondContact CB-O 3.35Å; P81-Y325 WeakPolarHBondContact CD-O 3.34Å
82G97.1Very high98.3Very high25 Ų2517.4 Ų17.426%0.25811%0.108SC..SBendtrans153.7-176.9177.900000114.4Q323G82-Q323 PolarHBondContact N-O 3.39Å; G82-Q323 WeakPolarHBondContact O-CA 3.27Å; G82-Q323 WeakPolarHBondContact O-CB 3.48Å; G82-Q323 WeakPolarHBondContact O-CG 3.46Å
83M97.1Very high98.3Very high34 Ų3418.3 Ų18.317%0.16711%0.114CC..  trans-70.2129.7176.9-66.8-169.9-79.400111S11 A12 F41 P43 T46 A85 P86 L87S11-M83 PolarHBondContact O-N 2.93Å; A12-M83 VanDerWaalsContact C-CE 3.41Å; F41-M83 HydrophobicContact CD2-CE 3.51Å; F41-M83 HydrophobicContact CD2-SD 4Å; F41-M83 HydrophobicContact CE2-CE 3.44Å; F41-M83 VanDerWaalsContact CE2-CE 3.44Å; F41-M83 HydrophobicContact CE2-SD 3.97Å; P43-M83 HydrophobicContact CB-SD 4.25Å; P43-M83 HydrophobicContact CG-SD 4Å; T46-M83 HydrophobicContact CG2-CE 3.9Å; M83-A85 PolarHBondContact O-N 3.36Å; M83-P86 HydrophobicContact CB-CB 4.36Å; M83-P86 HydrophobicContact CB-CG 3.77Å; M83-P86 HydrophobicContact CE-CG 4.01Å; M83-P86 WeakPolarHBondContact O-CD 3.33Å; M83-L87 WeakPolarHBondContact O-CB 3.47Å; M83-L87 VanDerWaalsContact O-CG 3.29Å; M83-L87 WeakPolarHBondContact O-CG 3.34Å; M83-L87 PolarHBondContact O-N 3.31Å
84G98Very high98.3Very high11 Ų1117.2 Ų17.211%0.11311%0.108CC..Hα-helixtrans-55.7-51.3-173.700000114.9L87 L88 Q323G84-L87 PolarHBondContact O-N 2.93Å; G84-L88 WeakPolarHBondContact O-CB 3.45Å; G84-L88 VanDerWaalsContact O-CG 3.29Å; G84-L88 WeakPolarHBondContact O-CG 3.42Å; G84-L88 PolarHBondContact O-N 2.92Å; G84-Q323 VanDerWaalsContact N-OE1 3.09Å
85A98.3Very high98.4Very high37 Ų3720.1 Ų20.131%0.30612%0.119SC..Hα-helixtrans-65.6-46-177.100000113.1A47 M83 L88 T89A47-A85 HydrophobicContact CB-CB 3.68Å; M83-A85 PolarHBondContact O-N 3.36Å; A85-L88 PolarHBondContact O-N 3.17Å; A85-T89 PolarHBondContact O-N 3.31Å; A85-T89 VanDerWaalsContact O-N 3.14Å; A85-T89 PolarHBondContact O-OG1 2.91Å
86P98.6Very high98.4Very high0 Ų023.1 Ų23.10%014%0.137CC..Hα-helixtrans-58.2-45.3171.4-31.440.2000114.4G10 T46 A47 M83 L88 T89 V90G10-P86 CarbonylContact O-C 3.01Å; G10-P86 WeakPolarHBondContact O-CB 3.33Å; T46-P86 HydrophobicContact CG2-CB 4.45Å; T46-P86 HydrophobicContact CG2-CG 3.83Å; A47-P86 HydrophobicContact CB-CG 4.29Å; M83-P86 HydrophobicContact CB-CB 4.36Å; M83-P86 HydrophobicContact CB-CG 3.77Å; M83-P86 HydrophobicContact CE-CG 4.01Å; M83-P86 WeakPolarHBondContact O-CD 3.33Å; P86-L88 VanDerWaalsContact C-N 3.32Å; P86-L88 PolarHBondContact O-N 3.15Å; P86-T89 WeakPolarHBondContact O-CB 3.23Å; P86-T89 PolarHBondContact O-N 3.39Å; P86-V90 PolarHBondContact O-N 2.97Å; P86-V90 VanDerWaalsContact O-N 3.15Å
87L98.7Very high98.3Very high0 Ų024 Ų240%014%0.142CC..Hα-helixtrans-59-43.1176.4-75.8174.8000111.9T78 M83 G84 V90 A91 V321T78-L87 HydrophobicContact CG2-CD2 3.91Å; M83-L87 WeakPolarHBondContact O-CB 3.47Å; M83-L87 VanDerWaalsContact O-CG 3.29Å; M83-L87 WeakPolarHBondContact O-CG 3.34Å; M83-L87 PolarHBondContact O-N 3.31Å; G84-L87 PolarHBondContact O-N 2.93Å; L87-V90 PolarHBondContact O-N 3Å; L87-A91 WeakPolarHBondContact O-CB 3.31Å; L87-A91 PolarHBondContact O-N 3.23Å; L87-V321 HydrophobicContact CB-CB 4.03Å; L87-V321 HydrophobicContact CB-CG1 4.01Å; L87-V321 HydrophobicContact CB-CG2 4.21Å; L87-V321 HydrophobicContact CD1-CB 4.45Å
88L98.4Very high98.3Very high91 Ų9124.3 Ų24.348%0.47614%0.144SC..Hα-helixtrans-62.3-43.2178.1-75.8170.2000112G84 A85 P86 V90 A91 V92 V321G84-L88 WeakPolarHBondContact O-CB 3.45Å; G84-L88 VanDerWaalsContact O-CG 3.29Å; G84-L88 WeakPolarHBondContact O-CG 3.42Å; G84-L88 PolarHBondContact O-N 2.92Å; A85-L88 PolarHBondContact O-N 3.17Å; P86-L88 VanDerWaalsContact C-N 3.32Å; P86-L88 PolarHBondContact O-N 3.15Å; L88-V90 VanDerWaalsContact C-N 3.34Å; L88-V90 PolarHBondContact O-N 2.93Å; L88-A91 PolarHBondContact O-N 3.14Å; L88-V92 WeakPolarHBondContact O-CG2 3.46Å; L88-V92 PolarHBondContact O-N 2.86Å; L88-V321 HydrophobicContact CD2-CG2 3.67Å; L88-V321 HydrophobicContact CG-CG2 3.99Å
89T98.4Very high98.3Very high13 Ų1329.9 Ų29.98%0.0817%0.17CC..Hα-helixtrans-56-49.4175.4-67.60000111.1H50 Q51 I54 A85 P86 V93H50-T89 HydrophobicContact CB-CG2 3.88Å; Q51-T89 HydrophobicContact CB-CG2 4.43Å; Q51-T89 HydrophobicContact CG-CG2 3.56Å; Q51-T89 PolarHBondContact NE2-OG1 3.5Å; I54-T89 HydrophobicContact CD1-CG2 4.48Å; A85-T89 PolarHBondContact O-N 3.31Å; A85-T89 VanDerWaalsContact O-N 3.14Å; A85-T89 PolarHBondContact O-OG1 2.91Å; P86-T89 WeakPolarHBondContact O-CB 3.23Å; P86-T89 PolarHBondContact O-N 3.39Å; T89-V93 PolarHBondContact O-N 2.94Å
90V98.7Very high98.3Very high0 Ų034.4 Ų34.40%020%0.196CC..Hα-helixtrans-62.4-47.6178.7164.30000111.8I8 L15 I54 P86 L87 L88 V92 V93 A94I8-V90 HydrophobicContact CB-CG1 3.88Å; I8-V90 HydrophobicContact CG2-CB 4.28Å; I8-V90 HydrophobicContact CG2-CG1 3.57Å; I8-V90 HydrophobicContact CG2-CG2 4.01Å; L15-V90 HydrophobicContact CD1-CG2 4.02Å; I54-V90 HydrophobicContact CD1-CG2 4.14Å; P86-V90 PolarHBondContact O-N 2.97Å; P86-V90 VanDerWaalsContact O-N 3.15Å; L87-V90 PolarHBondContact O-N 3Å; L88-V90 VanDerWaalsContact C-N 3.34Å; L88-V90 PolarHBondContact O-N 2.93Å; V90-V92 PolarHBondContact O-N 3.05Å; V90-V93 PolarHBondContact O-N 2.76Å; V90-A94 WeakPolarHBondContact O-CB 3.32Å; V90-A94 PolarHBondContact O-N 3.38Å
91A98.6Very high98.2Very high1 Ų137.3 Ų37.31%0.00821%0.207CC..Hα-helixtrans-63.3-39.7-177.800000112.4Y77 L87 L88 A94 R95 V321Y77-A91 HydrophobicContact CD2-CB 3.85Å; Y77-A91 HydrophobicContact CE2-CB 3.76Å; L87-A91 WeakPolarHBondContact O-CB 3.31Å; L87-A91 PolarHBondContact O-N 3.23Å; L88-A91 PolarHBondContact O-N 3.14Å; A91-A94 PolarHBondContact O-N 2.96Å; A91-R95 WeakPolarHBondContact O-CB 3.31Å; A91-R95 WeakPolarHBondContact O-CD 3.42Å; A91-R95 WeakPolarHBondContact O-CG 3.34Å; A91-R95 PolarHBondContact O-N 3.31Å; A91-V321 HydrophobicContact CB-CG1 3.48Å; A91-V321 VanDerWaalsContact CB-CG1 3.48Å
92V98.5Very high98.2Very high80 Ų8043.6 Ų43.649%0.48524%0.239SC..Hα-helixtrans-62.7-44.7177.1168.70000111.1L88 V90 T96L88-V92 WeakPolarHBondContact O-CG2 3.46Å; L88-V92 PolarHBondContact O-N 2.86Å; V90-V92 PolarHBondContact O-N 3.05Å; V92-T96 WeakPolarHBondContact O-CB 3.44Å; V92-T96 PolarHBondContact O-N 2.86Å; V92-T96 PolarHBondContact O-OG1 2.97Å
93V98.6Very high98.3Very high19 Ų1944.6 Ų44.612%0.11524%0.236CC..Hα-helixtrans-64.5-48.1177.4174.20000110.6I8 I54 I55 T89 V90 R95 T96 L97I8-V93 HydrophobicContact CD1-CG1 4.17Å; I54-V93 HydrophobicContact CD1-CB 3.77Å; I54-V93 HydrophobicContact CD1-CG1 4.08Å; I54-V93 HydrophobicContact CD1-CG2 3.75Å; I54-V93 HydrophobicContact CG1-CB 4.36Å; I54-V93 HydrophobicContact CG1-CG1 4.16Å; I54-V93 HydrophobicContact CG1-CG2 4.23Å; I54-V93 HydrophobicContact CG2-CG2 3.83Å; I55-V93 HydrophobicContact CD1-CG1 4.21Å; I55-V93 HydrophobicContact CD1-CG2 4.26Å; T89-V93 PolarHBondContact O-N 2.94Å; V90-V93 PolarHBondContact O-N 2.76Å; V93-R95 PolarHBondContact O-N 3.47Å; V93-T96 WeakPolarHBondContact O-CB 3.48Å; V93-T96 PolarHBondContact O-N 3.48Å; V93-T96 VanDerWaalsContact O-N 3.08Å; V93-L97 HydrophobicContact CG1-CD1 3.9Å; V93-L97 HydrophobicContact CG1-CG 4.19Å; V93-L97 WeakPolarHBondContact O-CG 3.4Å; V93-L97 PolarHBondContact O-N 3.4Å
94A98.7Very high98.3Very high0 Ų045.4 Ų45.40%024%0.244CC..Hα-helixtrans-57.9-46179.200000112.6I8 V75 Y77 V90 A91 T96 L97 A98 L105I8-A94 HydrophobicContact CD1-CB 4.13Å; V75-A94 HydrophobicContact CG1-CB 4.05Å; Y77-A94 VanDerWaalsContact CB-CB 3.49Å; Y77-A94 HydrophobicContact CD1-CB 4.08Å; Y77-A94 HydrophobicContact CG-CB 3.82Å; V90-A94 WeakPolarHBondContact O-CB 3.32Å; V90-A94 PolarHBondContact O-N 3.38Å; A91-A94 PolarHBondContact O-N 2.96Å; A94-T96 VanDerWaalsContact C-N 3.31Å; A94-T96 PolarHBondContact O-N 3.3Å; A94-L97 PolarHBondContact O-N 2.69Å; A94-A98 VanDerWaalsContact O-CB 3.31Å; A94-A98 WeakPolarHBondContact O-CB 3.33Å; A94-A98 PolarHBondContact O-N 2.77Å; A94-L105 HydrophobicContact CB-CD1 3.99Å
95R98.6Very high98.3Very high60 Ų6045.2 Ų45.223%0.22624%0.241CC..Hα-helixtrans-61.9-38.2175.3-70.2168-171.3-175.56112.4A91 V93 Q99 L105 L316 S319A91-R95 WeakPolarHBondContact O-CB 3.31Å; A91-R95 WeakPolarHBondContact O-CD 3.42Å; A91-R95 WeakPolarHBondContact O-CG 3.34Å; A91-R95 PolarHBondContact O-N 3.31Å; V93-R95 PolarHBondContact O-N 3.47Å; R95-Q99 WeakPolarHBondContact O-CG 3.42Å; R95-Q99 PolarHBondContact O-N 2.85Å; R95-Q99 VanDerWaalsContact O-N 3.13Å; R95-Q99 PolarHBondContact O-NE2 3.27Å; R95-L105 HydrophobicContact CG-CD2 3.73Å; R95-L316 HydrophobicContact CB-CD2 3.97Å; R95-L316 HydrophobicContact CG-CD2 3.89Å; R95-S319 PolarHBondContact NE-OG 3.19Å; R95-S319 VanDerWaalsContact NH2-C 3.27Å; R95-S319 PolarHBondContact NH2-O 3.28Å
96T98.5Very high98.3Very high64 Ų6443.5 Ų43.539%0.39323%0.226SC..Hα-helixtrans-67.6-47.2179.6-57.30000110.3V92 V93 A94 Q99 L100V92-T96 WeakPolarHBondContact O-CB 3.44Å; V92-T96 PolarHBondContact O-N 2.86Å; V92-T96 PolarHBondContact O-OG1 2.97Å; V93-T96 WeakPolarHBondContact O-CB 3.48Å; V93-T96 PolarHBondContact O-N 3.48Å; V93-T96 VanDerWaalsContact O-N 3.08Å; A94-T96 VanDerWaalsContact C-N 3.31Å; A94-T96 PolarHBondContact O-N 3.3Å; T96-Q99 PolarHBondContact O-N 3.41Å; T96-L100 HydrophobicContact CG2-CD1 3.89Å; T96-L100 HydrophobicContact CG2-CG 4.34Å; T96-L100 WeakPolarHBondContact O-CB 3.33Å; T96-L100 WeakPolarHBondContact O-CG 3.31Å; T96-L100 PolarHBondContact O-N 3.17Å
97L98.3Very high98.3Very high19 Ų1943.5 Ų43.510%0.09923%0.226CC..Hα-helixtrans-62.4-45177.3-64.2177.7000111.9I8 V58 V75 V93 A94 Q99 L100 W101I8-L97 HydrophobicContact CD1-CD1 4.2Å; V58-L97 HydrophobicContact CG1-CD1 3.95Å; V58-L97 HydrophobicContact CG2-CD1 4.07Å; V75-L97 HydrophobicContact CG2-CB 4.5Å; V93-L97 HydrophobicContact CG1-CD1 3.9Å; V93-L97 HydrophobicContact CG1-CG 4.19Å; V93-L97 WeakPolarHBondContact O-CG 3.4Å; V93-L97 PolarHBondContact O-N 3.4Å; A94-L97 PolarHBondContact O-N 2.69Å; L97-Q99 VanDerWaalsContact C-N 3.3Å; L97-Q99 PolarHBondContact O-N 3.37Å; L97-L100 PolarHBondContact O-N 2.99Å; L97-W101 HydrophobicContact CB-CD2 4.41Å; L97-W101 HydrophobicContact CB-CE3 3.97Å; L97-W101 HydrophobicContact CB-CH2 4.13Å; L97-W101 HydrophobicContact CB-CZ3 3.82Å; L97-W101 HydrophobicContact CD1-CH2 3.92Å; L97-W101 HydrophobicContact CD1-CZ3 4.13Å; L97-W101 HydrophobicContact CD2-CH2 3.75Å; L97-W101 HydrophobicContact CD2-CZ2 3.69Å; L97-W101 HydrophobicContact CD2-CZ3 4.33Å; L97-W101 HydrophobicContact CG-CH2 4.14Å; L97-W101 HydrophobicContact CG-CZ3 4.3Å; L97-W101 WeakPolarHBondContact O-CB 3.5Å; L97-W101 PolarHBondContact O-N 3.46Å
98A98.2Very high98.3Very high5 Ų543.5 Ų43.54%0.04123%0.226CC..Hα-helixtrans-56.5-43.7176.200000112V75 A94 N102 K103 L105V75-A98 HydrophobicContact CB-CB 4.33Å; V75-A98 HydrophobicContact CG2-CB 4.39Å; A94-A98 VanDerWaalsContact O-CB 3.31Å; A94-A98 WeakPolarHBondContact O-CB 3.33Å; A94-A98 PolarHBondContact O-N 2.77Å; A98-N102 CarbonylContact O-C 3.6Å; A98-N102 WeakPolarHBondContact O-CA 3.41Å; A98-N102 PolarHBondContact O-N 3.11Å; A98-K103 WeakPolarHBondContact CB-O 3.5Å; A98-K103 PolarHBondContact O-N 3.49Å; A98-L105 HydrophobicContact CB-CB 4.24Å; A98-L105 HydrophobicContact CB-CD1 3.84Å
99Q98.2Very high98.3Very high118 Ų11839.3 Ų39.355%0.55120%0.204SC*.Hα-helixtrans-69.7-46.3177.1-72.9171.1100.300112.6R95 T96 L97 W101 N102 L316R95-Q99 WeakPolarHBondContact O-CG 3.42Å; R95-Q99 PolarHBondContact O-N 2.85Å; R95-Q99 VanDerWaalsContact O-N 3.13Å; R95-Q99 PolarHBondContact O-NE2 3.27Å; T96-Q99 PolarHBondContact O-N 3.41Å; L97-Q99 VanDerWaalsContact C-N 3.3Å; L97-Q99 PolarHBondContact O-N 3.37Å; Q99-W101 VanDerWaalsContact C-N 3.31Å; Q99-W101 PolarHBondContact O-N 2.85Å; Q99-N102 PolarHBondContact O-N 3.16Å; Q99-L316 HydrophobicContact CG-CD1 3.81Å; Q99-L316 HydrophobicContact CG-CD2 4.38Å
100L98.3Very high98.3Very high129 Ų12939 Ų3968%0.67520%0.202SC*.Hα-helixtrans-61-39.4-179.5-75.5173.9000112.4T96 L97T96-L100 HydrophobicContact CG2-CD1 3.89Å; T96-L100 HydrophobicContact CG2-CG 4.34Å; T96-L100 WeakPolarHBondContact O-CB 3.33Å; T96-L100 WeakPolarHBondContact O-CG 3.31Å; T96-L100 PolarHBondContact O-N 3.17Å; L97-L100 PolarHBondContact O-N 2.99Å
101W97.7Very high98.3Very high61 Ų6139 Ų3923%0.23120%0.202CC..THydrogen-bonded Turntrans-931.7-179.3-57-28.1000113.4L6 V58 I62 P69 L72 V75 L97 Q99 K103L6-W101 HydrophobicContact CD1-CH2 4.36Å; L6-W101 HydrophobicContact CD1-CZ3 4.31Å; V58-W101 HydrophobicContact CG1-CH2 4.31Å; I62-W101 HydrophobicContact CD1-CH2 3.84Å; I62-W101 HydrophobicContact CD1-CZ2 4.08Å; P69-W101 HydrophobicContact CB-CD2 3.74Å; P69-W101 HydrophobicContact CB-CE3 4.27Å; P69-W101 HydrophobicContact CB-CG 3.99Å; P69-W101 HydrophobicContact CB-CH2 4.49Å; P69-W101 HydrophobicContact CB-CZ2 3.98Å; P69-W101 HydrophobicContact CG-CZ2 3.98Å; L72-W101 HydrophobicContact CD1-CE3 3.95Å; L72-W101 HydrophobicContact CD1-CH2 4.45Å; L72-W101 HydrophobicContact CD1-CZ3 3.66Å; V75-W101 HydrophobicContact CG2-CE3 4.14Å; V75-W101 HydrophobicContact CG2-CZ3 4.25Å; L97-W101 HydrophobicContact CB-CD2 4.41Å; L97-W101 HydrophobicContact CB-CE3 3.97Å; L97-W101 HydrophobicContact CB-CH2 4.13Å; L97-W101 HydrophobicContact CB-CZ3 3.82Å; L97-W101 HydrophobicContact CD1-CH2 3.92Å; L97-W101 HydrophobicContact CD1-CZ3 4.13Å; L97-W101 HydrophobicContact CD2-CH2 3.75Å; L97-W101 HydrophobicContact CD2-CZ2 3.69Å; L97-W101 HydrophobicContact CD2-CZ3 4.33Å; L97-W101 HydrophobicContact CG-CH2 4.14Å; L97-W101 HydrophobicContact CG-CZ3 4.3Å; L97-W101 WeakPolarHBondContact O-CB 3.5Å; L97-W101 PolarHBondContact O-N 3.46Å; Q99-W101 VanDerWaalsContact C-N 3.31Å; Q99-W101 PolarHBondContact O-N 2.85Å; W101-K103 VanDerWaalsContact C-N 3.3Å; W101-K103 HydrophobicContact CB-CG 3.76Å; W101-K103 WeakPolarHBondContact O-CG 3.5Å; W101-K103 PolarHBondContact O-N 2.78Å
102N97.4Very high98.2Very high148 Ų14839 Ų3979%0.79120%0.202SC*.THydrogen-bonded Turntrans48.850.3-174.1-169.340.3000112.5A98 Q99A98-N102 CarbonylContact O-C 3.6Å; A98-N102 WeakPolarHBondContact O-CA 3.41Å; A98-N102 PolarHBondContact O-N 3.11Å; Q99-N102 PolarHBondContact O-N 3.16Å
103K97.9Very high98.2Very high47 Ų4735.2 Ų35.220%0.20418%0.179CC..  trans-113.1145.7-179.8-58.3-57.3-179.5164.70110.9P69 S70 L72 A98 W101P69-K103 WeakPolarHBondContact O-CE 3.41Å; S70-K103 PolarHBondContact O-NZ 3.1Å; L72-K103 VanDerWaalsContact O-CD 3.23Å; L72-K103 WeakPolarHBondContact O-CD 3.24Å; L72-K103 WeakPolarHBondContact O-CE 3.4Å; L72-K103 PolarHBondContact O-NZ 2.98Å; A98-K103 WeakPolarHBondContact CB-O 3.5Å; A98-K103 PolarHBondContact O-N 3.49Å; W101-K103 VanDerWaalsContact C-N 3.3Å; W101-K103 HydrophobicContact CB-CG 3.76Å; W101-K103 WeakPolarHBondContact O-CG 3.5Å; W101-K103 PolarHBondContact O-N 2.78Å
104P98.1Very high98.2Very high51 Ų5134.5 Ų34.533%0.33117%0.174SC..  trans-56.7153.3169.3-22.233.2000112.4D73 A74 V75 F308 T313D73-P104 VanDerWaalsContact O-CD 3.3Å; D73-P104 WeakPolarHBondContact O-CD 3.34Å; A74-P104 WeakPolarHBondContact CA-O 3.39Å; A74-P104 HydrophobicContact CB-CB 4.21Å; A74-P104 WeakPolarHBondContact CB-O 3.5Å; V75-P104 PolarHBondContact N-O 3.14Å; P104-F308 HydrophobicContact CB-CE2 4.36Å; P104-F308 HydrophobicContact CG-CE2 4.12Å; P104-T313 HydrophobicContact CB-CG2 3.77Å; P104-T313 HydrophobicContact CG-CG2 4.46Å
105L98.4Very high98.1Very high7 Ų734.5 Ų34.54%0.03717%0.174CC..EExtended strand (participates in β ladder)trans-111.1143.1177.6-16975.1000109.9V75 Y77 A94 R95 A98 F314 L316 S319V75-L105 HydrophobicContact CB-CD1 4.23Å; V75-L105 HydrophobicContact CG1-CD1 4.26Å; V75-L105 CarbonylContact O-C 3.56Å; V75-L105 WeakPolarHBondContact O-CA 3.26Å; V75-L105 WeakPolarHBondContact O-CD1 3.48Å; Y77-L105 HydrophobicContact CD1-CD1 3.83Å; Y77-L105 HydrophobicContact CD1-CD2 4.21Å; Y77-L105 HydrophobicContact CD1-CG 3.92Å; Y77-L105 HydrophobicContact CE1-CD1 4.15Å; Y77-L105 HydrophobicContact CE1-CD2 3.69Å; Y77-L105 HydrophobicContact CE1-CG 3.73Å; A94-L105 HydrophobicContact CB-CD1 3.99Å; R95-L105 HydrophobicContact CG-CD2 3.73Å; A98-L105 HydrophobicContact CB-CB 4.24Å; A98-L105 HydrophobicContact CB-CD1 3.84Å; L105-F314 WeakPolarHBondContact O-CB 3.4Å; L105-F314 PolarHBondContact O-N 3.4Å; L105-L316 HydrophobicContact CD2-CD2 4.38Å; L105-S319 VanDerWaalsContact CD2-CB 3.47Å
106I98.3Very high98.1Very high0 Ų032 Ų320%017%0.165CC..EExtended strand (participates in β ladder)trans-129119.9179.4-55.6175.8000109.8A74 V75 A76 Y77 V108 G304 M307 F308 F314A74-I106 HydrophobicContact CB-CD1 3.85Å; A74-I106 HydrophobicContact CB-CG1 4.24Å; V75-I106 PolarHBondContact O-N 2.88Å; A76-I106 WeakPolarHBondContact CA-O 3.42Å; A76-I106 HydrophobicContact CB-CB 4.21Å; Y77-I106 VanDerWaalsContact CD1-O 3.23Å; Y77-I106 WeakPolarHBondContact CD1-O 3.3Å; Y77-I106 PolarHBondContact N-O 3.35Å; I106-V108 HydrophobicContact CG2-CG2 3.99Å; I106-G304 VanDerWaalsContact CD1-O 3.28Å; I106-G304 WeakPolarHBondContact CD1-O 3.46Å; I106-M307 HydrophobicContact CG2-CB 3.95Å; I106-M307 HydrophobicContact CG2-CE 4Å; I106-M307 HydrophobicContact CG2-CG 4.49Å; I106-M307 HydrophobicContact CG2-SD 3.77Å; I106-F308 HydrophobicContact CD1-CB 3.61Å; I106-F308 HydrophobicContact CD1-CD2 3.99Å; I106-F308 HydrophobicContact CD1-CG 4.24Å; I106-F314 HydrophobicContact CG2-CD2 4.48Å; I106-F314 HydrophobicContact CG2-CE2 4.46Å
107G98.3Very high98Very high0 Ų029 Ų290%015%0.147CC..EExtended strand (participates in β ladder)trans-91.2106.3175.600000111.2
108V98.7Very high97.9Very high0 Ų028.2 Ų28.20%014%0.143CC..EExtended strand (participates in β ladder)trans-94.9140.1-174.2179.70000110.8A76 Y77 K79 I106 A113 I300 T303 M307A76-V108 HydrophobicContact CB-CG2 4.01Å; Y77-V108 PolarHBondContact O-N 3.43Å; K79-V108 PolarHBondContact N-O 3.38Å; I106-V108 HydrophobicContact CG2-CG2 3.99Å; V108-A113 HydrophobicContact CG1-CB 3.89Å; V108-I300 HydrophobicContact CB-CD1 4.29Å; V108-I300 HydrophobicContact CB-CG2 4.14Å; V108-I300 HydrophobicContact CG1-CD1 3.97Å; V108-I300 HydrophobicContact CG2-CG2 4.07Å; V108-T303 HydrophobicContact CG1-CG2 3.71Å; V108-M307 HydrophobicContact CG2-SD 4.05Å
109N98.4Very high97.8Very high4 Ų430 Ų302%0.02115%0.148CC..EExtended strand (participates in β ladder)trans-78125.5168.5-178.9-70.4000109.7G80 C111 I112 A113 Y325 R326 V330G80-N109 CarbonylContact O-C 3.56Å; G80-N109 WeakPolarHBondContact O-CA 3.12Å; N109-C111 VanDerWaalsContact C-N 3.34Å; N109-C111 PolarHBondContact O-N 3.21Å; N109-C111 WeakPolarHBondContact OD1-CA 3.49Å; N109-C111 WeakPolarHBondContact OD1-CB 3.34Å; N109-C111 PolarHBondContact OD1-N 2.95Å; N109-I112 HydrophobicContact CB-CB 4.12Å; N109-I112 HydrophobicContact CB-CD1 3.99Å; N109-I112 HydrophobicContact CB-CG1 4.06Å; N109-I112 PolarHBondContact O-N 2.97Å; N109-I112 PolarHBondContact OD1-N 3.03Å; N109-I112 VanDerWaalsContact OD1-N 3.14Å; N109-A113 PolarHBondContact O-N 3.23Å; N109-Y325 HydrophobicContact CB-CD1 3.88Å; N109-Y325 HydrophobicContact CB-CE1 3.71Å; N109-Y325 WeakPolarHBondContact ND2-CD1 3.33Å; N109-Y325 PolarHBondContact ND2-O 3.05Å; N109-Y325 VanDerWaalsContact ND2-O 3.07Å; N109-R326 PolarHBondContact ND2-O 3.36Å; N109-V330 HydrophobicContact CB-CG2 3.9Å
110H98.3Very high97.7Very high6 Ų627.3 Ų27.33%0.02814%0.137CC..Hα-helixtrans-58.6-42-176.3176.379.5000112.9E9 S11 T78 G80 A113 H114 Y131 D295 M299E9-H110 IonicContact OE1-CE1 3.26Å; E9-H110 IonicContact OE1-ND1 3.78Å; E9-H110 IonicContact OE2-CE1 3.51Å; E9-H110 IonicContact OE2-CG 2.79Å; E9-H110 IonicContact OE2-ND1 3.51Å; E9-H110 PolarHBondContact OE2-ND1 3.36Å; S11-H110 PolarHBondContact OG-CE1 2.86Å; S11-H110 PolarHBondContact OG-ND1 3.43Å; T78-H110 HydrophobicContact CG2-CB 3.73Å; G80-H110 PolarHBondContact O-N 3.42Å; H110-A113 WeakPolarHBondContact O-CB 3.47Å; H110-A113 PolarHBondContact O-N 3.11Å; H110-H114 AromaticContact CD2-CD2 3.91Å; H110-H114 AromaticContact CE1-CD2 3.72Å; H110-H114 AromaticContact CE1-NE2 3.43Å; H110-H114 PolarHBondContact CE1-NE2 3Å; H110-H114 AromaticContact NE2-CD2 3.4Å; H110-H114 PolarHBondContact NE2-CD2 2.57Å; H110-H114 AromaticContact NE2-NE2 3.31Å; H110-H114 PolarHBondContact NE2-NE2 2.58Å; H110-H114 PolarHBondContact O-CD2 2.93Å; H110-H114 PolarHBondContact O-N 2.94Å; H110-Y131 PolarHBondContact CD2-OH 3.34Å; H110-Y131 PolarHBondContact NE2-OH 2.9Å; H110-D295 IonicContact CE1-OD1 3.74Å; H110-D295 PolarHBondContact CE1-OD1 2.83Å; H110-D295 VanDerWaalsContact CE1-OD1 3.26Å; H110-D295 IonicContact NE2-OD1 3.68Å; H110-M299 WeakPolarHBondContact ND1-CE 3.43Å
111C97.5Very high97.6Very high0 Ų024.3 Ų24.30%012%0.121CC..Hα-helixtrans-67.5-44.4-179.2-47.60000110.8N109 A113 H114 I115 Y131 T327N109-C111 VanDerWaalsContact C-N 3.34Å; N109-C111 PolarHBondContact O-N 3.21Å; N109-C111 WeakPolarHBondContact OD1-CA 3.49Å; N109-C111 WeakPolarHBondContact OD1-CB 3.34Å; N109-C111 PolarHBondContact OD1-N 2.95Å; C111-A113 PolarHBondContact O-N 3.31Å; C111-H114 WeakPolarHBondContact O-CB 3.5Å; C111-H114 PolarHBondContact O-N 3.44Å; C111-I115 WeakPolarHBondContact O-CG1 3.27Å; C111-I115 PolarHBondContact O-N 3.44Å; C111-I115 VanDerWaalsContact O-N 3.16Å; C111-Y131 HydrophobicContact CB-CD1 4Å; C111-Y131 HydrophobicContact CB-CE1 3.71Å; C111-Y131 WeakPolarHBondContact SG-CE1 3.32Å; C111-T327 HydrophobicContact CB-CG2 4.11Å; C111-T327 WeakPolarHBondContact CB-OG1 3.43Å
112I98.1Very high97.5Very high1 Ų122.9 Ų22.91%0.00512%0.119CC..Hα-helixtrans-61.6-36.6175-64.2-178.5000110.8N109 H114 I115 E116 Y147 T303 T327 V330 W334N109-I112 HydrophobicContact CB-CB 4.12Å; N109-I112 HydrophobicContact CB-CD1 3.99Å; N109-I112 HydrophobicContact CB-CG1 4.06Å; N109-I112 PolarHBondContact O-N 2.97Å; N109-I112 PolarHBondContact OD1-N 3.03Å; N109-I112 VanDerWaalsContact OD1-N 3.14Å; I112-H114 PolarHBondContact O-N 2.92Å; I112-I115 WeakPolarHBondContact O-CB 3.15Å; I112-I115 PolarHBondContact O-N 3.36Å; I112-I115 VanDerWaalsContact O-N 3.11Å; I112-E116 HydrophobicContact CG2-CG 3.99Å; I112-E116 WeakPolarHBondContact O-CG 3.31Å; I112-E116 PolarHBondContact O-N 3.21Å; I112-Y147 HydrophobicContact CD1-CD2 4.04Å; I112-Y147 HydrophobicContact CG1-CD2 3.91Å; I112-Y147 HydrophobicContact CG2-CD2 4.13Å; I112-Y147 HydrophobicContact CG2-CE2 3.97Å; I112-T303 HydrophobicContact CG2-CG2 4.04Å; I112-T327 HydrophobicContact CG1-CG2 3.89Å; I112-V330 HydrophobicContact CD1-CB 3.47Å; I112-V330 VanDerWaalsContact CD1-CB 3.47Å; I112-V330 HydrophobicContact CD1-CG1 3.96Å; I112-V330 HydrophobicContact CD1-CG2 3.7Å; I112-W334 HydrophobicContact CG2-CH2 4.23Å; I112-W334 HydrophobicContact CG2-CZ2 3.76Å
113A98.1Very high97.4Very high0 Ų018.1 Ų18.10%011%0.106CC..Hα-helixtrans-62.9-43.5178.200000113.2V108 N109 H110 C111 I115 E116 M117 M299 I300 T303V108-A113 HydrophobicContact CG1-CB 3.89Å; N109-A113 PolarHBondContact O-N 3.23Å; H110-A113 WeakPolarHBondContact O-CB 3.47Å; H110-A113 PolarHBondContact O-N 3.11Å; C111-A113 PolarHBondContact O-N 3.31Å; A113-I115 VanDerWaalsContact C-N 3.27Å; A113-I115 PolarHBondContact O-N 2.92Å; A113-E116 PolarHBondContact O-N 2.88Å; A113-M117 WeakPolarHBondContact O-CB 3.23Å; A113-M117 PolarHBondContact O-N 3.11Å; A113-M299 HydrophobicContact CB-CB 4.1Å; A113-M299 HydrophobicContact CB-CE 4.48Å; A113-M299 HydrophobicContact CB-CG 3.87Å; A113-M299 HydrophobicContact CB-SD 4.21Å; A113-M299 WeakPolarHBondContact O-CB 3.28Å; A113-I300 HydrophobicContact CB-CD1 3.63Å; A113-T303 VanDerWaalsContact CA-OG1 3.26Å; A113-T303 WeakPolarHBondContact CA-OG1 3.37Å
114H97.7Very high97.3Very high4 Ų416 Ų162%0.01910%0.097CC..Hα-helixtrans-55.7-44.4170.8-88.3-69.4000111.5H110 C111 I112 G118 Y131 V261 C293 D295H110-H114 AromaticContact CD2-CD2 3.91Å; H110-H114 AromaticContact CE1-CD2 3.72Å; H110-H114 AromaticContact CE1-NE2 3.43Å; H110-H114 PolarHBondContact CE1-NE2 3Å; H110-H114 AromaticContact NE2-CD2 3.4Å; H110-H114 PolarHBondContact NE2-CD2 2.57Å; H110-H114 AromaticContact NE2-NE2 3.31Å; H110-H114 PolarHBondContact NE2-NE2 2.58Å; H110-H114 PolarHBondContact O-CD2 2.93Å; H110-H114 PolarHBondContact O-N 2.94Å; C111-H114 WeakPolarHBondContact O-CB 3.5Å; C111-H114 PolarHBondContact O-N 3.44Å; I112-H114 PolarHBondContact O-N 2.92Å; H114-G118 PolarHBondContact O-N 3.31Å; H114-Y131 HydrophobicContact CB-CD2 4.34Å; H114-Y131 HydrophobicContact CB-CE2 4.09Å; H114-Y131 AromaticContact CD2-CE2 3.6Å; H114-Y131 AromaticContact CD2-CZ 3.88Å; H114-Y131 AromaticContact CG-CE2 3.8Å; H114-V261 HydrophobicContact CB-CB 4.15Å; H114-V261 HydrophobicContact CB-CG2 4.12Å; H114-V261 WeakPolarHBondContact O-CG1 3.35Å; H114-C293 PolarHBondContact CE1-O 3.33Å; H114-D295 IonicContact CE1-OD1 3.96Å; H114-D295 PolarHBondContact CE1-OD1 2.87Å; H114-D295 IonicContact NE2-OD1 3.5Å; H114-D295 PolarHBondContact NE2-OD1 2.82Å
115I97.2Very high97.1Very high0 Ų020.9 Ų20.90%011%0.113CC..Hα-helixtrans-63.1-54.6179.1-63.5168.3000111.4C111 I112 A113 M117 G118 R119 I129 I140 Y147 V261 T327C111-I115 WeakPolarHBondContact O-CG1 3.27Å; C111-I115 PolarHBondContact O-N 3.44Å; C111-I115 VanDerWaalsContact O-N 3.16Å; I112-I115 WeakPolarHBondContact O-CB 3.15Å; I112-I115 PolarHBondContact O-N 3.36Å; I112-I115 VanDerWaalsContact O-N 3.11Å; A113-I115 VanDerWaalsContact C-N 3.27Å; A113-I115 PolarHBondContact O-N 2.92Å; I115-M117 PolarHBondContact O-N 3.41Å; I115-G118 WeakPolarHBondContact O-CA 3.43Å; I115-G118 PolarHBondContact O-N 2.84Å; I115-G118 VanDerWaalsContact O-N 3.11Å; I115-R119 HydrophobicContact CG2-CG 4.3Å; I115-R119 VanDerWaalsContact O-CG 3.27Å; I115-R119 WeakPolarHBondContact O-CG 3.46Å; I115-R119 PolarHBondContact O-N 2.86Å; I115-I129 HydrophobicContact CD1-CG2 4.43Å; I115-I129 HydrophobicContact CG1-CG1 4.32Å; I115-I129 HydrophobicContact CG1-CG2 3.89Å; I115-I129 HydrophobicContact CG2-CD1 4.19Å; I115-I129 HydrophobicContact CG2-CG1 4.03Å; I115-I140 HydrophobicContact CD1-CD1 3.97Å; I115-I140 HydrophobicContact CD1-CG2 3.99Å; I115-Y147 HydrophobicContact CD1-CD1 3.9Å; I115-Y147 HydrophobicContact CD1-CE1 4.26Å; I115-Y147 HydrophobicContact CD1-CG 4.11Å; I115-Y147 HydrophobicContact CG2-CD1 4.26Å; I115-Y147 HydrophobicContact CG2-CE1 3.52Å; I115-Y147 HydrophobicContact CG2-CE2 4.5Å; I115-V261 HydrophobicContact CG1-CG2 4.4Å; I115-T327 HydrophobicContact CD1-CG2 4.37Å
116E97.6Very high96.8Very high8 Ų823.2 Ų23.24%0.03713%0.13CC..Hα-helixtrans-65.6-39.2-174.9-64.7-60.9172.200112I112 A113 G118 R119 L120 Y147 T303 L306 W334I112-E116 HydrophobicContact CG2-CG 3.99Å; I112-E116 WeakPolarHBondContact O-CG 3.31Å; I112-E116 PolarHBondContact O-N 3.21Å; A113-E116 PolarHBondContact O-N 2.88Å; E116-G118 VanDerWaalsContact C-N 3.34Å; E116-R119 PolarHBondContact O-N 2.81Å; E116-R119 WeakPolarHBondContact OE2-CD 3.26Å; E116-R119 IonicContact OE2-NE 3.65Å; E116-R119 PolarHBondContact OE2-NE 2.62Å; E116-L120 WeakPolarHBondContact O-CB 3.42Å; E116-L120 PolarHBondContact O-N 2.77Å; E116-Y147 VanDerWaalsContact OE1-CE2 3.25Å; E116-Y147 WeakPolarHBondContact OE1-CE2 3.29Å; E116-Y147 VanDerWaalsContact OE1-CZ 3.28Å; E116-Y147 PolarHBondContact OE1-OH 3.01Å; E116-T303 HydrophobicContact CG-CG2 4.26Å; E116-L306 HydrophobicContact CB-CD1 3.97Å; E116-L306 HydrophobicContact CG-CD1 3.87Å; E116-W334 PolarHBondContact OE1-NE1 2.92Å
117M97.4Very high96.8Very high2 Ų223.5 Ų23.51%0.0113%0.131CC..Hα-helixtrans-63.9-41.7172-177.455.469.200111.5V25 A113 I115 R119 L120 I121 F292 A298 M299 H302V25-M117 HydrophobicContact CG2-CE 4.42Å; A113-M117 WeakPolarHBondContact O-CB 3.23Å; A113-M117 PolarHBondContact O-N 3.11Å; I115-M117 PolarHBondContact O-N 3.41Å; M117-R119 VanDerWaalsContact C-N 3.32Å; M117-R119 PolarHBondContact O-N 3.42Å; M117-L120 HydrophobicContact CE-CD2 4.36Å; M117-L120 PolarHBondContact O-N 2.88Å; M117-L120 HydrophobicContact SD-CD2 4.06Å; M117-I121 HydrophobicContact CG-CG1 4.3Å; M117-I121 WeakPolarHBondContact O-CG1 3.34Å; M117-I121 PolarHBondContact O-N 3.31Å; M117-I121 HydrophobicContact SD-CD1 3.96Å; M117-I121 HydrophobicContact SD-CG1 3.58Å; M117-I121 VanDerWaalsContact SD-CG1 3.58Å; M117-F292 HydrophobicContact CE-CD1 4.44Å; M117-F292 HydrophobicContact CG-CB 4.01Å; M117-F292 HydrophobicContact CG-CD1 3.88Å; M117-F292 HydrophobicContact CG-CG 4.18Å; M117-F292 HydrophobicContact SD-CD1 3.69Å; M117-F292 HydrophobicContact SD-CE1 4.02Å; M117-F292 HydrophobicContact SD-CG 4.29Å; M117-A298 HydrophobicContact CE-CB 3.92Å; M117-A298 VanDerWaalsContact CE-O 3.26Å; M117-A298 WeakPolarHBondContact CE-O 3.3Å; M117-M299 HydrophobicContact CB-CB 3.52Å; M117-M299 HydrophobicContact CE-CB 4.28Å; M117-M299 HydrophobicContact CG-CB 3.97Å; M117-H302 HydrophobicContact CE-CB 3.72Å
118G96.7Very high96.8Very high1 Ų123.5 Ų23.51%0.0113%0.132CC..Hα-helixtrans-57.1-45.8174.400000112.3H114 I115 E116 T122H114-G118 PolarHBondContact O-N 3.31Å; I115-G118 WeakPolarHBondContact O-CA 3.43Å; I115-G118 PolarHBondContact O-N 2.84Å; I115-G118 VanDerWaalsContact O-N 3.11Å; E116-G118 VanDerWaalsContact C-N 3.34Å; G118-T122 VanDerWaalsContact O-CB 3.29Å; G118-T122 WeakPolarHBondContact O-CB 3.32Å; G118-T122 VanDerWaalsContact O-CG2 3.26Å; G118-T122 WeakPolarHBondContact O-CG2 3.3Å; G118-T122 PolarHBondContact O-N 3.48Å; G118-T122 PolarHBondContact O-OG1 2.78Å
119R96.5Very high96.8Very high42 Ų4223.6 Ų23.616%0.15813%0.132CC..Hα-helixtrans-63-45.5176.9-66.9170.656.667.93.6112.5I115 E116 M117 I121 G123 A124 K125 L259 R335I115-R119 HydrophobicContact CG2-CG 4.3Å; I115-R119 VanDerWaalsContact O-CG 3.27Å; I115-R119 WeakPolarHBondContact O-CG 3.46Å; I115-R119 PolarHBondContact O-N 2.86Å; E116-R119 PolarHBondContact O-N 2.81Å; E116-R119 WeakPolarHBondContact OE2-CD 3.26Å; E116-R119 IonicContact OE2-NE 3.65Å; E116-R119 PolarHBondContact OE2-NE 2.62Å; M117-R119 VanDerWaalsContact C-N 3.32Å; M117-R119 PolarHBondContact O-N 3.42Å; R119-I121 PolarHBondContact O-N 3.04Å; R119-G123 VanDerWaalsContact O-CA 3.3Å; R119-G123 WeakPolarHBondContact O-CA 3.3Å; R119-G123 PolarHBondContact O-N 3.04Å; R119-A124 PolarHBondContact NH1-O 3.16Å; R119-K125 VanDerWaalsContact CZ-O 3.26Å; R119-K125 VanDerWaalsContact NH1-C 3.29Å; R119-K125 PolarHBondContact NH1-O 2.81Å; R119-K125 PolarHBondContact NH2-O 2.98Å; R119-L259 HydrophobicContact CG-CD2 3.94Å; R119-R335 VanDerWaalsContact NH2-CZ 3.26Å; R119-R335 VanDerWaalsContact NH2-NH2 3.13Å
120L95.8Very high96.8Very high62 Ų6223.4 Ų23.433%0.32513%0.131SC..Hα-helixtrans-58.1-49.6179.1178.667.2000111.9G23 E116 M117 H302G23-L120 WeakPolarHBondContact O-CD2 3.29Å; E116-L120 WeakPolarHBondContact O-CB 3.42Å; E116-L120 PolarHBondContact O-N 2.77Å; M117-L120 HydrophobicContact CE-CD2 4.36Å; M117-L120 PolarHBondContact O-N 2.88Å; M117-L120 HydrophobicContact SD-CD2 4.06Å; L120-H302 HydrophobicContact CD2-CB 4.45Å
121I95.4Very high96.8Very high66 Ų6623.1 Ų23.134%0.33813%0.13SC..Hα-helixtrans-76.4-33.5-172.6-61-59.8000111.9M117 R119 F292M117-I121 HydrophobicContact CG-CG1 4.3Å; M117-I121 WeakPolarHBondContact O-CG1 3.34Å; M117-I121 PolarHBondContact O-N 3.31Å; M117-I121 HydrophobicContact SD-CD1 3.96Å; M117-I121 HydrophobicContact SD-CG1 3.58Å; M117-I121 VanDerWaalsContact SD-CG1 3.58Å; R119-I121 PolarHBondContact O-N 3.04Å; I121-F292 HydrophobicContact CD1-CD2 4.11Å; I121-F292 HydrophobicContact CD1-CE1 4.28Å; I121-F292 HydrophobicContact CD1-CE2 3.7Å; I121-F292 HydrophobicContact CD1-CZ 3.79Å; I121-F292 HydrophobicContact CG1-CD1 4.44Å; I121-F292 HydrophobicContact CG1-CD2 3.82Å; I121-F292 HydrophobicContact CG1-CE2 3.96Å; I121-F292 HydrophobicContact CG1-CG 4.07Å; I121-F292 HydrophobicContact CG1-CZ 4.33Å; I121-F292 HydrophobicContact CG2-CD2 4.06Å; I121-F292 HydrophobicContact CG2-CE2 4.26Å
122T95.6Very high96.8Very high31 Ų3123.1 Ų23.119%0.1913%0.13CC..Hα-helixtrans-96.7-19.6-174.967.30000113.8G118 A124 L259 F286 T288G118-T122 VanDerWaalsContact O-CB 3.29Å; G118-T122 WeakPolarHBondContact O-CB 3.32Å; G118-T122 VanDerWaalsContact O-CG2 3.26Å; G118-T122 WeakPolarHBondContact O-CG2 3.3Å; G118-T122 PolarHBondContact O-N 3.48Å; G118-T122 PolarHBondContact O-OG1 2.78Å; T122-A124 VanDerWaalsContact C-N 3.29Å; T122-A124 PolarHBondContact OG1-N 3.12Å; T122-L259 HydrophobicContact CG2-CD1 4.13Å; T122-F286 HydrophobicContact CG2-CB 4.16Å; T122-F286 WeakPolarHBondContact O-CD1 3.49Å; T122-F286 WeakPolarHBondContact O-CE1 3.46Å; T122-T288 HydrophobicContact CG2-CG2 4.07Å
123G95.4Very high96.6Very high49 Ų4923.4 Ų23.451%0.50513%0.132SC..  trans76.111.2-174.400000114.6R119 K125R119-G123 VanDerWaalsContact O-CA 3.3Å; R119-G123 WeakPolarHBondContact O-CA 3.3Å; R119-G123 PolarHBondContact O-N 3.04Å; G123-K125 PolarHBondContact O-N 3.14Å
124A96.1Very high96.3Very high3 Ų325 Ų253%0.02515%0.149CC..  trans-61132.117800000111.4R119 T122 P127 L259 F286R119-A124 PolarHBondContact NH1-O 3.16Å; T122-A124 VanDerWaalsContact C-N 3.29Å; T122-A124 PolarHBondContact OG1-N 3.12Å; A124-P127 HydrophobicContact CB-CB 4.36Å; A124-P127 HydrophobicContact CB-CG 3.89Å; A124-L259 HydrophobicContact CB-CD2 4.47Å; A124-F286 HydrophobicContact CB-CB 4.25Å; A124-F286 HydrophobicContact CB-CD1 4.28Å; A124-F286 HydrophobicContact CB-CD2 3.85Å; A124-F286 HydrophobicContact CB-CE2 4.16Å; A124-F286 HydrophobicContact CB-CG 3.88Å; A124-F286 HydrophobicContact CB-CZ 4.45Å
125K93.1Very high96Very high153 Ų15327.6 Ų27.667%0.66518%0.177SC*.SBendtrans-97.9-50.8-170.7-69.6-174-179.5-179.60113R119 G123 E257 R335R119-K125 VanDerWaalsContact CZ-O 3.26Å; R119-K125 VanDerWaalsContact NH1-C 3.29Å; R119-K125 PolarHBondContact NH1-O 2.81Å; R119-K125 PolarHBondContact NH2-O 2.98Å; G123-K125 PolarHBondContact O-N 3.14Å; K125-E257 PolarHBondContact N-OE2 2.94Å; K125-R335 PolarHBondContact O-NH2 3.3Å
126S93.2Very high95.9Very high56 Ų5629 Ų2939%0.39218%0.184SC..SBendtrans-144.459178.9-66.70000111.8E257S126-E257 PolarHBondContact N-OE2 3.23Å
127P97.5Very high95.9Very high5 Ų528.7 Ų28.73%0.03218%0.183CC..PPolyproline II helixtrans-77.2157-17634.5-38.2000113.1A124 I129 E257 L259A124-P127 HydrophobicContact CB-CB 4.36Å; A124-P127 HydrophobicContact CB-CG 3.89Å; P127-I129 HydrophobicContact CG-CD1 4.36Å; P127-I129 HydrophobicContact CG-CG1 4.2Å; P127-I129 WeakPolarHBondContact O-CD1 3.27Å; P127-E257 CarbonylContact C-O 3.59Å; P127-E257 VanDerWaalsContact CA-O 3.23Å; P127-E257 WeakPolarHBondContact CA-O 3.38Å; P127-E257 HydrophobicContact CB-CB 3.85Å; P127-L259 HydrophobicContact CB-CB 3.67Å; P127-L259 HydrophobicContact CG-CB 3.61Å; P127-L259 HydrophobicContact CG-CD2 4.09Å
128I98.3Very high95.9Very high1 Ų129.2 Ų29.21%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-66.8128.8146.3-68.9-45.6000107.6I139 A141 T246 A249 M250 C253 V255 E257 V258 L259I128-I139 HydrophobicContact CG2-CG2 3.61Å; I128-A141 HydrophobicContact CD1-CB 3.72Å; I128-T246 HydrophobicContact CG2-CG2 3.97Å; I128-A249 HydrophobicContact CD1-CB 4.24Å; I128-A249 HydrophobicContact CG1-CB 4.32Å; I128-A249 HydrophobicContact CG2-CB 4.26Å; I128-M250 HydrophobicContact CB-CG 3.87Å; I128-M250 HydrophobicContact CG1-CB 4.2Å; I128-M250 HydrophobicContact CG1-CG 3.48Å; I128-M250 VanDerWaalsContact CG1-CG 3.48Å; I128-M250 HydrophobicContact CG2-CG 4.45Å; I128-C253 HydrophobicContact CD1-CB 4.02Å; I128-V255 HydrophobicContact CB-CG2 4.45Å; I128-V255 HydrophobicContact CD1-CG2 3.68Å; I128-V255 HydrophobicContact CG1-CG2 3.42Å; I128-V255 VanDerWaalsContact CG1-CG2 3.42Å; I128-E257 PolarHBondContact N-O 3.39Å; I128-V258 CarbonylContact O-C 3.57Å; I128-V258 VanDerWaalsContact O-CA 3.3Å; I128-V258 WeakPolarHBondContact O-CA 3.48Å; I128-L259 PolarHBondContact O-N 2.81Å
129I98.4Very high96Very high1 Ų129.1 Ų29.11%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-98122.1174.9-5696000109.5I115 P127 I139 I140 Y147 L259 V261I115-I129 HydrophobicContact CD1-CG2 4.43Å; I115-I129 HydrophobicContact CG1-CG1 4.32Å; I115-I129 HydrophobicContact CG1-CG2 3.89Å; I115-I129 HydrophobicContact CG2-CD1 4.19Å; I115-I129 HydrophobicContact CG2-CG1 4.03Å; P127-I129 HydrophobicContact CG-CD1 4.36Å; P127-I129 HydrophobicContact CG-CG1 4.2Å; P127-I129 WeakPolarHBondContact O-CD1 3.27Å; I129-I139 CarbonylContact O-C 3.57Å; I129-I139 WeakPolarHBondContact O-CA 3.18Å; I129-I140 HydrophobicContact CB-CB 4.19Å; I129-I140 HydrophobicContact CD1-CG2 4.44Å; I129-I140 WeakPolarHBondContact CD1-O 3.15Å; I129-I140 PolarHBondContact N-O 3.29Å; I129-I140 PolarHBondContact O-N 3.29Å; I129-Y147 HydrophobicContact CD1-CD1 4.43Å; I129-Y147 HydrophobicContact CD1-CE1 4.31Å; I129-L259 CarbonylContact C-O 3.57Å; I129-L259 VanDerWaalsContact CA-O 3.28Å; I129-L259 WeakPolarHBondContact CA-O 3.49Å; I129-L259 HydrophobicContact CG1-CB 4.43Å; I129-L259 HydrophobicContact CG1-CD2 4.29Å; I129-V261 HydrophobicContact CG2-CG2 3.51Å
130L98.6Very high96.1Very high0 Ų027.1 Ų27.10%018%0.177CC..EExtended strand (participates in β ladder)trans-90.2107.6158.5173.865.7000108.6V132 I139 V242 L259 I260 V261 L270 M274L130-V132 HydrophobicContact CD1-CG1 3.57Å; L130-V132 HydrophobicContact CD2-CG1 4.3Å; L130-V132 HydrophobicContact CD2-CG2 4.33Å; L130-V132 HydrophobicContact CG-CG1 3.88Å; L130-V132 HydrophobicContact CG-CG2 4.18Å; L130-I139 HydrophobicContact CB-CD1 4.28Å; L130-I139 HydrophobicContact CD1-CD1 3.37Å; L130-I139 HydrophobicContact CG-CD1 4.42Å; L130-V242 HydrophobicContact CD1-CB 4.15Å; L130-V242 HydrophobicContact CD2-CB 4.3Å; L130-V242 HydrophobicContact CD2-CG2 4.18Å; L130-L259 PolarHBondContact N-O 2.99Å; L130-I260 HydrophobicContact CD2-CG1 4.46Å; L130-I260 HydrophobicContact CD2-CG2 4.28Å; L130-I260 WeakPolarHBondContact O-CA 3.34Å; L130-V261 PolarHBondContact O-N 3.4Å; L130-L270 HydrophobicContact CD2-CD1 4.35Å; L130-L270 HydrophobicContact CD2-CD2 4.35Å; L130-M274 HydrophobicContact CD2-CE 3.4Å
131Y98.1Very high96.2Very high0 Ų024.5 Ų24.50%016%0.164CC..EExtended strand (participates in β ladder)trans-100110172.5175.2-137.9000110.7H110 C111 H114 S133 N136 T137 Q138 V261H110-Y131 PolarHBondContact CD2-OH 3.34Å; H110-Y131 PolarHBondContact NE2-OH 2.9Å; C111-Y131 HydrophobicContact CB-CD1 4Å; C111-Y131 HydrophobicContact CB-CE1 3.71Å; C111-Y131 WeakPolarHBondContact SG-CE1 3.32Å; H114-Y131 HydrophobicContact CB-CD2 4.34Å; H114-Y131 HydrophobicContact CB-CE2 4.09Å; H114-Y131 AromaticContact CD2-CE2 3.6Å; H114-Y131 AromaticContact CD2-CZ 3.88Å; H114-Y131 AromaticContact CG-CE2 3.8Å; Y131-S133 PolarHBondContact OH-OG 3.34Å; Y131-N136 HydrophobicContact CD1-CB 3.72Å; Y131-N136 HydrophobicContact CE1-CB 3.2Å; Y131-N136 VanDerWaalsContact CE1-CG 3.5Å; Y131-T137 CarbonylContact O-C 3.59Å; Y131-T137 VanDerWaalsContact O-CA 3.25Å; Y131-T137 WeakPolarHBondContact O-CA 3.49Å; Y131-Q138 PolarHBondContact N-O 3.45Å; Y131-Q138 PolarHBondContact O-N 3.35Å; Y131-V261 HydrophobicContact CD2-CG2 3.85Å; Y131-V261 HydrophobicContact CG-CG2 4.22Å
132V97.4Very high96.2Very high0 Ų022.8 Ų22.80%015%0.154CC..EExtended strand (participates in β ladder)trans-128.3116.6-178.2-760000111.7L130 T137 L158 I260 V261 G262 G263 V264 L270L130-V132 HydrophobicContact CD1-CG1 3.57Å; L130-V132 HydrophobicContact CD2-CG1 4.3Å; L130-V132 HydrophobicContact CD2-CG2 4.33Å; L130-V132 HydrophobicContact CG-CG1 3.88Å; L130-V132 HydrophobicContact CG-CG2 4.18Å; V132-T137 HydrophobicContact CG1-CG2 3.9Å; V132-L158 HydrophobicContact CG1-CD2 4.18Å; V132-I260 HydrophobicContact CG2-CG2 4.22Å; V132-V261 PolarHBondContact N-O 3.44Å; V132-G262 CarbonylContact O-C 3.58Å; V132-G262 WeakPolarHBondContact O-CA 3.44Å; V132-G263 PolarHBondContact O-N 3.35Å; V132-V264 HydrophobicContact CB-CB 3.86Å; V132-V264 HydrophobicContact CB-CG1 4.33Å; V132-V264 HydrophobicContact CG2-CB 3.78Å; V132-V264 HydrophobicContact CG2-CG1 4.16Å; V132-V264 WeakPolarHBondContact O-CB 3.3Å; V132-V264 PolarHBondContact O-N 3.31Å; V132-L270 HydrophobicContact CG2-CD2 3.96Å
133S94.3Very high96.1Very high7 Ų723.8 Ų23.85%0.04916%0.16CC..  trans-139.7-178-179.7800000111.2Y131 G135 N136 G159Y131-S133 PolarHBondContact OH-OG 3.34Å; S133-G135 PolarHBondContact O-N 2.96Å; S133-G135 PolarHBondContact OG-N 3.42Å; S133-G135 VanDerWaalsContact OG-N 3.13Å; S133-N136 PolarHBondContact N-O 2.92Å; S133-N136 PolarHBondContact OG-N 3.44Å; S133-G159 WeakPolarHBondContact O-CA 3.45Å; S133-G159 PolarHBondContact O-N 3.24Å; S133-G159 VanDerWaalsContact O-N 3.09Å
134G91Very high96Very high35 Ų3524.8 Ų24.836%0.36116%0.16SC..SBendtrans-64.9-20.5171.400000113.9N160G134-N160 WeakPolarHBondContact O-CB 3.35Å
135G92Very high95.9Very high58 Ų5825.9 Ų25.960%0.59817%0.171SC*.SBendtrans-115-14.3-177.100000114.9S133 A157S133-G135 PolarHBondContact O-N 2.96Å; S133-G135 PolarHBondContact OG-N 3.42Å; S133-G135 VanDerWaalsContact OG-N 3.13Å; G135-A157 VanDerWaalsContact C-CB 3.49Å
136N94.8Very high96.1Very high29 Ų2922.8 Ų22.816%0.15516%0.155CC..  trans-141.3146-172.5-63.586.8000112Y131 S133 A157Y131-N136 HydrophobicContact CD1-CB 3.72Å; Y131-N136 HydrophobicContact CE1-CB 3.2Å; Y131-N136 VanDerWaalsContact CE1-CG 3.5Å; S133-N136 PolarHBondContact N-O 2.92Å; S133-N136 PolarHBondContact OG-N 3.44Å; N136-A157 VanDerWaalsContact N-CB 3.32Å
137T98.1Very high96.3Very high2 Ų220.1 Ų20.11%0.01214%0.137CC..EExtended strand (participates in β ladder)trans-145107166.2-62.80000107.1Y131 V132 E152 T153 L158 V203 F205 V242Y131-T137 CarbonylContact O-C 3.59Å; Y131-T137 VanDerWaalsContact O-CA 3.25Å; Y131-T137 WeakPolarHBondContact O-CA 3.49Å; V132-T137 HydrophobicContact CG1-CG2 3.9Å; T137-E152 CarbonylContact O-C 3.57Å; T137-E152 WeakPolarHBondContact O-CA 3.36Å; T137-T153 PolarHBondContact O-N 3.39Å; T137-L158 HydrophobicContact CG2-CB 4.47Å; T137-L158 WeakPolarHBondContact OG1-CB 3.47Å; T137-L158 PolarHBondContact OG1-N 3.33Å; T137-V203 HydrophobicContact CG2-CG2 4.09Å; T137-F205 HydrophobicContact CG2-CE2 3.91Å; T137-F205 HydrophobicContact CG2-CZ 4.33Å; T137-V242 HydrophobicContact CG2-CG1 4.2Å
138Q98.3Very high96.3Very high12 Ų1225.1 Ų25.16%0.05616%0.155CC..EExtended strand (participates in β ladder)trans-143.5142.5-171.8-62.6-175.1-29.700110.8Y131 I140 G151 E152 T327Y131-Q138 PolarHBondContact N-O 3.45Å; Y131-Q138 PolarHBondContact O-N 3.35Å; Q138-I140 HydrophobicContact CB-CD1 3.84Å; Q138-I140 HydrophobicContact CB-CG1 3.85Å; Q138-G151 CarbonylContact C-O 3.57Å; Q138-G151 WeakPolarHBondContact CA-O 3.47Å; Q138-E152 HydrophobicContact CG-CB 3.94Å; Q138-E152 PolarHBondContact NE2-OE2 3.43Å; Q138-E152 VanDerWaalsContact NE2-OE2 3.15Å; Q138-T327 PolarHBondContact OE1-OG1 3.15Å
139I98.5Very high96.3Very high0 Ų026.5 Ų26.50%016%0.162CC..EExtended strand (participates in β ladder)trans-102.1119.2166.2-53.5-57.6000107.7I128 I129 L130 I149 F150 G151 I245 T246 A249I128-I139 HydrophobicContact CG2-CG2 3.61Å; I129-I139 CarbonylContact O-C 3.57Å; I129-I139 WeakPolarHBondContact O-CA 3.18Å; L130-I139 HydrophobicContact CB-CD1 4.28Å; L130-I139 HydrophobicContact CD1-CD1 3.37Å; L130-I139 HydrophobicContact CG-CD1 4.42Å; I139-I149 CarbonylContact O-C 3.55Å; I139-I149 WeakPolarHBondContact O-CA 3.28Å; I139-F150 HydrophobicContact CG2-CB 4.42Å; I139-F150 PolarHBondContact O-N 3.31Å; I139-G151 PolarHBondContact N-O 3.39Å; I139-G151 PolarHBondContact O-N 3.4Å; I139-I245 HydrophobicContact CD1-CD1 3.88Å; I139-I245 HydrophobicContact CD1-CG1 3.87Å; I139-I245 HydrophobicContact CG1-CB 4.34Å; I139-I245 HydrophobicContact CG1-CD1 3.57Å; I139-I245 HydrophobicContact CG1-CG1 3.73Å; I139-T246 VanDerWaalsContact CD1-OG1 3.23Å; I139-T246 WeakPolarHBondContact CD1-OG1 3.44Å; I139-A249 HydrophobicContact CG2-CB 3.37Å
140I98.4Very high96.3Very high0 Ų028.5 Ų28.50%017%0.17CC..EExtended strand (participates in β ladder)trans-127.6143.7-168.4-58159.4000109I115 I129 Q138 Y147 R148 I149 T327I115-I140 HydrophobicContact CD1-CD1 3.97Å; I115-I140 HydrophobicContact CD1-CG2 3.99Å; I129-I140 HydrophobicContact CB-CB 4.19Å; I129-I140 HydrophobicContact CD1-CG2 4.44Å; I129-I140 WeakPolarHBondContact CD1-O 3.15Å; I129-I140 PolarHBondContact N-O 3.29Å; I129-I140 PolarHBondContact O-N 3.29Å; Q138-I140 HydrophobicContact CB-CD1 3.84Å; Q138-I140 HydrophobicContact CB-CG1 3.85Å; I140-Y147 HydrophobicContact CG2-CD1 3.98Å; I140-Y147 HydrophobicContact CG2-CG 4.33Å; I140-R148 CarbonylContact C-O 3.52Å; I140-R148 WeakPolarHBondContact CA-O 3.49Å; I140-R148 WeakPolarHBondContact CG2-O 3.33Å; I140-I149 HydrophobicContact CG1-CG1 4.21Å; I140-T327 HydrophobicContact CD1-CG2 4.1Å; I140-T327 HydrophobicContact CG2-CG2 4.47Å
141A97.3Very high96.3Very high7 Ų728.5 Ų28.56%0.05817%0.171CC..EExtended strand (participates in β ladder)trans-138.1153.8164.500000110.4I128 V143 R148 F150I128-A141 HydrophobicContact CD1-CB 3.72Å; A141-V143 HydrophobicContact CB-CG2 4.31Å; A141-V143 PolarHBondContact O-N 2.71Å; A141-R148 PolarHBondContact N-O 3.04Å; A141-R148 PolarHBondContact O-N 3.46Å; A141-F150 HydrophobicContact CB-CD2 4.01Å; A141-F150 HydrophobicContact CB-CE2 3.57Å; A141-F150 HydrophobicContact CB-CZ 4.45Å
142F96.7Very high96.3Very high29 Ų2931.1 Ų31.113%0.12718%0.183CC..EExtended strand (participates in β ladder)trans-81.6115.9173.7-176.4-104.1000109.6G145 R146 Y147 A332 R335 D336F142-G145 VanDerWaalsContact CE2-C 3.42Å; F142-R146 WeakPolarHBondContact CA-O 3.41Å; F142-Y147 HydrophobicContact CB-CD1 4.12Å; F142-Y147 HydrophobicContact CB-CE1 3.94Å; F142-Y147 HydrophobicContact CD2-CD1 4.3Å; F142-Y147 HydrophobicContact CD2-CE1 4.21Å; F142-Y147 HydrophobicContact CD2-CE2 4.46Å; F142-Y147 HydrophobicContact CD2-CG 4.46Å; F142-Y147 HydrophobicContact CG-CE1 4.49Å; F142-A332 HydrophobicContact CE2-CB 3.9Å; F142-R335 HydrophobicContact CE1-CB 3.88Å; F142-R335 HydrophobicContact CE2-CB 3.88Å; F142-R335 HydrophobicContact CE2-CG 4.5Å; F142-R335 HydrophobicContact CZ-CB 3.45Å; F142-R335 VanDerWaalsContact CZ-CB 3.45Å; F142-R335 HydrophobicContact CZ-CG 4.48Å; F142-D336 WeakPolarHBondContact CE1-O 3.49Å
143V93.8Very high96.3Very high53 Ų5332.1 Ų32.132%0.32119%0.189SC..EExtended strand (participates in β ladder)trans-146.3124.6-176.9179.40000110A141 R146 R148 F150A141-V143 HydrophobicContact CB-CG2 4.31Å; A141-V143 PolarHBondContact O-N 2.71Å; V143-R146 PolarHBondContact N-O 2.92Å; V143-R146 PolarHBondContact O-N 2.97Å; V143-R148 HydrophobicContact CB-CG 4.27Å; V143-R148 PolarHBondContact O-NE 3.06Å; V143-F150 HydrophobicContact CG2-CE2 4.14Å; V143-F150 HydrophobicContact CG2-CZ 4.05Å
144S92.3Very high96.5Very high70 Ų7036.1 Ų36.149%0.4921%0.209SC..THydrogen-bonded Turntrans54.654.6177.8-50.90000112.8R146 E337S144-R146 VanDerWaalsContact C-N 3.27Å; S144-R146 PolarHBondContact O-N 3.26Å; S144-E337 WeakPolarHBondContact CA-OE1 3.39Å; S144-E337 PolarHBondContact N-OE1 3.45Å
145G94.4Very high96.8Very high26 Ų2637.2 Ų37.227%0.26821%0.207SC..THydrogen-bonded Turntrans75.24.7174.700000115.9F142 A332F142-G145 VanDerWaalsContact CE2-C 3.42Å; G145-A332 PolarHBondContact O-N 2.93Å
146R96.7Very high97Very high88 Ų8836 Ų3633%0.33219%0.186SC..EExtended strand (participates in β ladder)trans-138.5151.6-175.8-62.9-173179.6-168.5-2.6113F142 V143 S144 R148 D328 D331F142-R146 WeakPolarHBondContact CA-O 3.41Å; V143-R146 PolarHBondContact N-O 2.92Å; V143-R146 PolarHBondContact O-N 2.97Å; S144-R146 VanDerWaalsContact C-N 3.27Å; S144-R146 PolarHBondContact O-N 3.26Å; R146-R148 HydrophobicContact CB-CG 4.4Å; R146-R148 PolarHBondContact O-N 2.82Å; R146-D328 WeakPolarHBondContact CD-O 3.37Å; R146-D328 PolarHBondContact NH1-O 2.7Å; R146-D331 IonicContact CZ-OD1 3.14Å; R146-D331 IonicContact NE-OD1 2.68Å; R146-D331 PolarHBondContact NE-OD1 3.13Å; R146-D331 IonicContact NH2-OD1 2.79Å; R146-D331 PolarHBondContact NH2-OD1 2.95Å; R146-D331 IonicContact NH2-OD2 3.41Å; R146-D331 PolarHBondContact NH2-OD2 2.84Å
147Y97.7Very high97.1Very high0 Ų035 Ų350%018%0.182CC..EExtended strand (participates in β ladder)trans-77.696.7164.9-74.5-67.6000110.1I112 I115 E116 I129 I140 F142 D328 A332 R335I112-Y147 HydrophobicContact CD1-CD2 4.04Å; I112-Y147 HydrophobicContact CG1-CD2 3.91Å; I112-Y147 HydrophobicContact CG2-CD2 4.13Å; I112-Y147 HydrophobicContact CG2-CE2 3.97Å; I115-Y147 HydrophobicContact CD1-CD1 3.9Å; I115-Y147 HydrophobicContact CD1-CE1 4.26Å; I115-Y147 HydrophobicContact CD1-CG 4.11Å; I115-Y147 HydrophobicContact CG2-CD1 4.26Å; I115-Y147 HydrophobicContact CG2-CE1 3.52Å; I115-Y147 HydrophobicContact CG2-CE2 4.5Å; E116-Y147 VanDerWaalsContact OE1-CE2 3.25Å; E116-Y147 WeakPolarHBondContact OE1-CE2 3.29Å; E116-Y147 VanDerWaalsContact OE1-CZ 3.28Å; E116-Y147 PolarHBondContact OE1-OH 3.01Å; I129-Y147 HydrophobicContact CD1-CD1 4.43Å; I129-Y147 HydrophobicContact CD1-CE1 4.31Å; I140-Y147 HydrophobicContact CG2-CD1 3.98Å; I140-Y147 HydrophobicContact CG2-CG 4.33Å; F142-Y147 HydrophobicContact CB-CD1 4.12Å; F142-Y147 HydrophobicContact CB-CE1 3.94Å; F142-Y147 HydrophobicContact CD2-CD1 4.3Å; F142-Y147 HydrophobicContact CD2-CE1 4.21Å; F142-Y147 HydrophobicContact CD2-CE2 4.46Å; F142-Y147 HydrophobicContact CD2-CG 4.46Å; F142-Y147 HydrophobicContact CG-CE1 4.49Å; Y147-D328 VanDerWaalsContact O-CA 3.3Å; Y147-D328 WeakPolarHBondContact O-CA 3.4Å; Y147-D328 WeakPolarHBondContact O-CB 3.16Å; Y147-D328 PolarHBondContact O-N 3.27Å; Y147-A332 HydrophobicContact CD2-CB 4.14Å; Y147-A332 HydrophobicContact CE2-CB 4.02Å; Y147-R335 VanDerWaalsContact OH-CD 3.22Å; Y147-R335 WeakPolarHBondContact OH-CD 3.37Å; Y147-R335 PolarHBondContact OH-NH1 3.21Å
148R97.5Very high97.1Very high110 Ų11034.9 Ų34.942%0.41518%0.181SC..EExtended strand (participates in β ladder)trans-89.1139.9-177.4-62.4-166-178.1-117.3-4111.4I140 A141 V143 R146 F150I140-R148 CarbonylContact C-O 3.52Å; I140-R148 WeakPolarHBondContact CA-O 3.49Å; I140-R148 WeakPolarHBondContact CG2-O 3.33Å; A141-R148 PolarHBondContact N-O 3.04Å; A141-R148 PolarHBondContact O-N 3.46Å; V143-R148 HydrophobicContact CB-CG 4.27Å; V143-R148 PolarHBondContact O-NE 3.06Å; R146-R148 HydrophobicContact CB-CG 4.4Å; R146-R148 PolarHBondContact O-N 2.82Å; R148-F150 HydrophobicContact CB-CE2 4.2Å
149I97.9Very high97Very high29 Ų2934.4 Ų34.415%0.14918%0.18CC..EExtended strand (participates in β ladder)trans-89.2117.3176.9-62.4157.1000108.1I139 I140 G151 E152I139-I149 CarbonylContact O-C 3.55Å; I139-I149 WeakPolarHBondContact O-CA 3.28Å; I140-I149 HydrophobicContact CG1-CG1 4.21Å; I149-G151 WeakPolarHBondContact CG2-O 3.44Å; I149-E152 HydrophobicContact CG2-CB 3.94Å; I149-E152 HydrophobicContact CG2-CG 4.09Å
150F97.9Very high96.9Very high43 Ų4336.8 Ų36.819%0.18919%0.193CC..EExtended strand (participates in β ladder)trans-89.9-29.1176.1-79.5-95000112.3I139 A141 V143 R148 M201 A249 H252 C253I139-F150 HydrophobicContact CG2-CB 4.42Å; I139-F150 PolarHBondContact O-N 3.31Å; A141-F150 HydrophobicContact CB-CD2 4.01Å; A141-F150 HydrophobicContact CB-CE2 3.57Å; A141-F150 HydrophobicContact CB-CZ 4.45Å; V143-F150 HydrophobicContact CG2-CE2 4.14Å; V143-F150 HydrophobicContact CG2-CZ 4.05Å; R148-F150 HydrophobicContact CB-CE2 4.2Å; F150-M201 HydrophobicContact CB-CE 4.34Å; F150-M201 HydrophobicContact CB-SD 4.06Å; F150-M201 HydrophobicContact CD1-CE 4.2Å; F150-M201 HydrophobicContact CD1-SD 4.39Å; F150-M201 VanDerWaalsContact O-CB 3.25Å; F150-M201 WeakPolarHBondContact O-CB 3.48Å; F150-M201 WeakPolarHBondContact O-CE 3.42Å; F150-A249 HydrophobicContact CB-CB 4.4Å; F150-H252 AromaticContact CD1-CD2 4Å; F150-H252 AromaticContact CE1-CD2 3.57Å; F150-C253 VanDerWaalsContact CE1-SG 3.58Å; F150-C253 VanDerWaalsContact CZ-SG 3.51Å
151G98.4Very high96.9Very high1 Ų136.8 Ų36.81%0.0119%0.193CC..EExtended strand (participates in β ladder)trans-156.5147.117700000110.5Q138 I139 I149 M201 D202Q138-G151 CarbonylContact C-O 3.57Å; Q138-G151 WeakPolarHBondContact CA-O 3.47Å; I139-G151 PolarHBondContact N-O 3.39Å; I139-G151 PolarHBondContact O-N 3.4Å; I149-G151 WeakPolarHBondContact CG2-O 3.44Å; G151-M201 VanDerWaalsContact CA-O 3.24Å; G151-M201 WeakPolarHBondContact CA-O 3.11Å; G151-D202 WeakPolarHBondContact CA-OD1 3.39Å
152E98.3Very high96.9Very high54 Ų5436.6 Ų36.625%0.25219%0.19SC..EExtended strand (participates in β ladder)trans-144.4166.7175.257.4-173.4143.600112.4T137 Q138 I149 I154 D202 V203 R326T137-E152 CarbonylContact O-C 3.57Å; T137-E152 WeakPolarHBondContact O-CA 3.36Å; Q138-E152 HydrophobicContact CG-CB 3.94Å; Q138-E152 PolarHBondContact NE2-OE2 3.43Å; Q138-E152 VanDerWaalsContact NE2-OE2 3.15Å; I149-E152 HydrophobicContact CG2-CB 3.94Å; I149-E152 HydrophobicContact CG2-CG 4.09Å; E152-I154 PolarHBondContact O-N 2.62Å; E152-D202 PolarHBondContact N-OD1 3.43Å; E152-D202 VanDerWaalsContact O-CA 3.31Å; E152-D202 WeakPolarHBondContact O-CA 3.38Å; E152-D202 VanDerWaalsContact O-CB 3.32Å; E152-D202 WeakPolarHBondContact O-CB 3.2Å; E152-V203 PolarHBondContact O-N 3.26Å; E152-R326 IonicContact OE1-CZ 3.75Å; E152-R326 IonicContact OE1-NH1 2.9Å; E152-R326 PolarHBondContact OE1-NH1 3.49Å; E152-R326 IonicContact OE1-NH2 3.64Å; E152-R326 IonicContact OE2-NH1 3.84Å
153T98.4Very high96.9Very high22 Ų2236.6 Ų36.614%0.13519%0.191CC..BIsolated β-bridgetrans-64.7132.9165.3-177.20000109.9T137 D155 I156 V203T137-T153 PolarHBondContact O-N 3.39Å; T153-D155 VanDerWaalsContact C-N 3.31Å; T153-D155 PolarHBondContact OG1-N 3.18Å; T153-D155 PolarHBondContact OG1-OD1 2.9Å; T153-I156 WeakPolarHBondContact CB-O 3.39Å; T153-I156 WeakPolarHBondContact CG2-O 3.37Å; T153-I156 PolarHBondContact OG1-O 2.79Å; T153-V203 VanDerWaalsContact CA-O 3.3Å; T153-V203 WeakPolarHBondContact CA-O 3.41Å
154I97.7Very high97Very high91 Ų9138.1 Ų38.147%0.46719%0.191SC..SBendtrans-88.9-1.4174.258.3166.6000112.6E152 K199 D202 V203E152-I154 PolarHBondContact O-N 2.62Å; I154-K199 HydrophobicContact CD1-CD 3.76Å; I154-D202 HydrophobicContact CG2-CB 3.93Å; I154-V203 WeakPolarHBondContact CG1-O 3.5Å; I154-V203 PolarHBondContact N-O 2.91Å
155D96.8Very high97.3Very high58 Ų5834.8 Ų34.831%0.3117%0.168SC..SBendtrans-135.2-102.3178.454.931000113.2T153 S204 F205 A206T153-D155 VanDerWaalsContact C-N 3.31Å; T153-D155 PolarHBondContact OG1-N 3.18Å; T153-D155 PolarHBondContact OG1-OD1 2.9Å; D155-S204 WeakPolarHBondContact OD2-CA 3.33Å; D155-S204 WeakPolarHBondContact OD2-CB 3.43Å; D155-S204 PolarHBondContact OD2-OG 3.03Å; D155-F205 PolarHBondContact OD1-N 2.88Å; D155-F205 PolarHBondContact OD2-N 2.92Å; D155-A206 HydrophobicContact CB-CB 4.02Å; D155-A206 PolarHBondContact OD1-N 3.3Å; D155-A206 WeakPolarHBondContact OD2-CB 3.29Å; D155-A206 PolarHBondContact OD2-N 3.25Å
156I96.9Very high97.4Very high32 Ų3233.5 Ų33.516%0.16416%0.155CC..SBendtrans-99.6150.9-178.365.8176.9000109.9T153 N160 C161 F205 L209T153-I156 WeakPolarHBondContact CB-O 3.39Å; T153-I156 WeakPolarHBondContact CG2-O 3.37Å; T153-I156 PolarHBondContact OG1-O 2.79Å; I156-N160 HydrophobicContact CB-CB 4.36Å; I156-C161 HydrophobicContact CD1-CB 3.96Å; I156-C161 HydrophobicContact CG1-CB 4.49Å; I156-F205 HydrophobicContact CD1-CB 4.28Å; I156-F205 HydrophobicContact CG1-CB 3.84Å; I156-F205 WeakPolarHBondContact O-CD2 3.41Å; I156-L209 HydrophobicContact CD1-CB 4.37Å; I156-L209 HydrophobicContact CD1-CD2 3.76Å
157A97.2Very high97.4Very high7 Ų733 Ų336%0.05815%0.153CC..  trans-68.1152.3172.600000111.7G135 N136 G159 N160 C161G135-A157 VanDerWaalsContact C-CB 3.49Å; N136-A157 VanDerWaalsContact N-CB 3.32Å; A157-G159 VanDerWaalsContact C-N 3.29Å; A157-G159 PolarHBondContact O-N 2.98Å; A157-N160 HydrophobicContact CB-CB 4.32Å; A157-N160 WeakPolarHBondContact O-CA 3.42Å; A157-N160 VanDerWaalsContact O-CB 3.28Å; A157-N160 WeakPolarHBondContact O-CB 3.43Å; A157-N160 PolarHBondContact O-N 2.89Å; A157-C161 PolarHBondContact O-N 3.42Å
158L98.1Very high97.2Very high0 Ų035.8 Ų35.80%017%0.168CC..Hα-helixtrans-55.2-43.9176.4177.156.8000112V132 T137 N160 C161 F162 F205 A238 F239 V242 V264V132-L158 HydrophobicContact CG1-CD2 4.18Å; T137-L158 HydrophobicContact CG2-CB 4.47Å; T137-L158 WeakPolarHBondContact OG1-CB 3.47Å; T137-L158 PolarHBondContact OG1-N 3.33Å; L158-N160 VanDerWaalsContact C-N 3.3Å; L158-N160 PolarHBondContact O-N 3.39Å; L158-C161 VanDerWaalsContact O-CB 3.3Å; L158-C161 WeakPolarHBondContact O-CB 3.47Å; L158-C161 PolarHBondContact O-N 2.96Å; L158-F162 HydrophobicContact CD1-CD1 4.22Å; L158-F162 HydrophobicContact CD1-CE1 3.68Å; L158-F162 HydrophobicContact CD1-CZ 3.86Å; L158-F162 HydrophobicContact CG-CZ 4.4Å; L158-F162 PolarHBondContact O-N 2.85Å; L158-F205 HydrophobicContact CB-CE2 4Å; L158-F205 HydrophobicContact CB-CZ 4.02Å; L158-F205 HydrophobicContact CD1-CD1 4.16Å; L158-F205 HydrophobicContact CD1-CE1 3.81Å; L158-F205 HydrophobicContact CD1-CZ 4.09Å; L158-F205 HydrophobicContact CG-CZ 4.48Å; L158-A238 HydrophobicContact CD1-CB 3.57Å; L158-F239 HydrophobicContact CD2-CD1 4.16Å; L158-F239 HydrophobicContact CD2-CE1 4.17Å; L158-V242 HydrophobicContact CD2-CG1 4.03Å; L158-V242 HydrophobicContact CD2-CG2 4.28Å; L158-V264 HydrophobicContact CD2-CG1 3.97Å; L158-V264 HydrophobicContact CG-CG1 4.24Å
159G96.8Very high97.1Very high3 Ų331.7 Ų31.73%0.03116%0.155CC..Hα-helixtrans-64.4-35175.500000112.3S133 A157 C161 F162 D163 V264S133-G159 WeakPolarHBondContact O-CA 3.45Å; S133-G159 PolarHBondContact O-N 3.24Å; S133-G159 VanDerWaalsContact O-N 3.09Å; A157-G159 VanDerWaalsContact C-N 3.29Å; A157-G159 PolarHBondContact O-N 2.98Å; G159-C161 VanDerWaalsContact C-N 3.35Å; G159-F162 PolarHBondContact O-N 2.56Å; G159-D163 WeakPolarHBondContact O-CB 3.23Å; G159-D163 PolarHBondContact O-N 2.9Å; G159-V264 VanDerWaalsContact CA-CG2 3.48Å
160N96Very high96.9Very high50 Ų5035.3 Ų35.327%0.26717%0.174SC..Hα-helixtrans-65.9-38.7173.9-164-94.3000112G134 I156 A157 L158 F162 D163 R164G134-N160 WeakPolarHBondContact O-CB 3.35Å; I156-N160 HydrophobicContact CB-CB 4.36Å; A157-N160 HydrophobicContact CB-CB 4.32Å; A157-N160 WeakPolarHBondContact O-CA 3.42Å; A157-N160 VanDerWaalsContact O-CB 3.28Å; A157-N160 WeakPolarHBondContact O-CB 3.43Å; A157-N160 PolarHBondContact O-N 2.89Å; L158-N160 VanDerWaalsContact C-N 3.3Å; L158-N160 PolarHBondContact O-N 3.39Å; N160-F162 VanDerWaalsContact C-N 3.33Å; N160-F162 PolarHBondContact O-N 3.46Å; N160-D163 PolarHBondContact O-N 3.04Å; N160-R164 WeakPolarHBondContact O-CB 3.3Å; N160-R164 WeakPolarHBondContact O-CG 3.33Å; N160-R164 PolarHBondContact O-N 3.27Å; N160-R164 VanDerWaalsContact OD1-CD 3.32Å; N160-R164 WeakPolarHBondContact OD1-CD 3.34Å
161C98Very high96.8Very high0 Ų034.7 Ų34.70%017%0.173CC..Hα-helixtrans-57.9-47173.9-175.40000110.7I156 A157 L158 G159 R164 F165 F205I156-C161 HydrophobicContact CD1-CB 3.96Å; I156-C161 HydrophobicContact CG1-CB 4.49Å; A157-C161 PolarHBondContact O-N 3.42Å; L158-C161 VanDerWaalsContact O-CB 3.3Å; L158-C161 WeakPolarHBondContact O-CB 3.47Å; L158-C161 PolarHBondContact O-N 2.96Å; G159-C161 VanDerWaalsContact C-N 3.35Å; C161-R164 PolarHBondContact O-N 2.92Å; C161-F165 WeakPolarHBondContact O-CB 3.41Å; C161-F165 PolarHBondContact O-N 2.79Å; C161-F205 HydrophobicContact CB-CB 4.03Å
162F97.7Very high96.8Very high3 Ų337.1 Ų37.11%0.01319%0.19CC..Hα-helixtrans-65.7-48176.9-72.85.1000112L158 G159 N160 R164 F165 A166 I181 L234 Q235 A238 F239 V264L158-F162 HydrophobicContact CD1-CD1 4.22Å; L158-F162 HydrophobicContact CD1-CE1 3.68Å; L158-F162 HydrophobicContact CD1-CZ 3.86Å; L158-F162 HydrophobicContact CG-CZ 4.4Å; L158-F162 PolarHBondContact O-N 2.85Å; G159-F162 PolarHBondContact O-N 2.56Å; N160-F162 VanDerWaalsContact C-N 3.33Å; N160-F162 PolarHBondContact O-N 3.46Å; F162-R164 VanDerWaalsContact C-N 3.26Å; F162-R164 PolarHBondContact O-N 2.88Å; F162-F165 PolarHBondContact O-N 3.32Å; F162-F165 VanDerWaalsContact O-N 3.09Å; F162-A166 WeakPolarHBondContact O-CB 3.25Å; F162-A166 PolarHBondContact O-N 2.82Å; F162-I181 HydrophobicContact CB-CD1 3.83Å; F162-I181 HydrophobicContact CG-CD1 4.36Å; F162-I181 WeakPolarHBondContact O-CD1 3.45Å; F162-L234 HydrophobicContact CD1-CD1 4.17Å; F162-L234 HydrophobicContact CD1-CD2 3.78Å; F162-L234 HydrophobicContact CD1-CG 3.9Å; F162-L234 HydrophobicContact CE1-CD1 3.91Å; F162-L234 HydrophobicContact CE1-CD2 4.06Å; F162-L234 HydrophobicContact CE1-CG 3.64Å; F162-Q235 HydrophobicContact CE2-CG 4.4Å; F162-Q235 HydrophobicContact CZ-CG 4.09Å; F162-A238 HydrophobicContact CE1-CB 4.13Å; F162-A238 HydrophobicContact CZ-CB 4.47Å; F162-F239 AromaticContact CE2-CE1 3.5Å; F162-F239 HydrophobicContact CE2-CE1 3.5Å; F162-F239 VanDerWaalsContact CE2-CE1 3.5Å; F162-F239 AromaticContact CE2-CZ 3.54Å; F162-F239 HydrophobicContact CE2-CZ 3.54Å; F162-F239 HydrophobicContact CZ-CD1 4.18Å; F162-F239 AromaticContact CZ-CE1 3.42Å; F162-F239 HydrophobicContact CZ-CE1 3.42Å; F162-F239 VanDerWaalsContact CZ-CE1 3.42Å; F162-F239 AromaticContact CZ-CZ 3.68Å; F162-F239 HydrophobicContact CZ-CZ 3.68Å; F162-V264 HydrophobicContact CE2-CG1 4.33Å
163D96.2Very high96.7Very high28 Ų2835.2 Ų35.215%0.1518%0.181CC..Hα-helixtrans-61.8-34.4179.5-69.6-10.9000112.2G159 N160 R167 P177G159-D163 WeakPolarHBondContact O-CB 3.23Å; G159-D163 PolarHBondContact O-N 2.9Å; N160-D163 PolarHBondContact O-N 3.04Å; D163-R167 WeakPolarHBondContact O-CG 3.25Å; D163-R167 PolarHBondContact O-N 3.25Å; D163-R167 PolarHBondContact O-NE 3.48Å; D163-P177 HydrophobicContact CB-CG 4.39Å; D163-P177 WeakPolarHBondContact OD1-CB 3.47Å; D163-P177 WeakPolarHBondContact OD1-CG 3.49Å
164R96.8Very high96.5Very high85 Ų8538.5 Ų38.532%0.32120%0.198SC..Hα-helixtrans-72.7-41.6173.1-75.4-175.665.4-178.8-9.1111.6N160 C161 F162 A166 R167 I168 L209 E213N160-R164 WeakPolarHBondContact O-CB 3.3Å; N160-R164 WeakPolarHBondContact O-CG 3.33Å; N160-R164 PolarHBondContact O-N 3.27Å; N160-R164 VanDerWaalsContact OD1-CD 3.32Å; N160-R164 WeakPolarHBondContact OD1-CD 3.34Å; C161-R164 PolarHBondContact O-N 2.92Å; F162-R164 VanDerWaalsContact C-N 3.26Å; F162-R164 PolarHBondContact O-N 2.88Å; R164-A166 PolarHBondContact O-N 3.31Å; R164-R167 WeakPolarHBondContact O-CB 3.09Å; R164-R167 PolarHBondContact O-N 2.87Å; R164-R167 VanDerWaalsContact O-N 3.14Å; R164-I168 WeakPolarHBondContact O-CG1 3.22Å; R164-I168 PolarHBondContact O-N 2.63Å; R164-I168 VanDerWaalsContact O-N 3.16Å; R164-L209 HydrophobicContact CB-CD1 4.1Å; R164-L209 HydrophobicContact CB-CD2 3.55Å; R164-L209 HydrophobicContact CB-CG 4.47Å; R164-L209 HydrophobicContact CG-CD2 4.15Å; R164-E213 IonicContact CZ-OE1 2.89Å; R164-E213 IonicContact NE-OE1 3.36Å; R164-E213 IonicContact NH2-OE1 3.42Å; R164-E213 PolarHBondContact NH2-OE1 2.95Å; R164-E213 IonicContact NH2-OE2 2.67Å
165F97.7Very high96.4Very high0 Ų037.7 Ų37.70%020%0.199CC..Hα-helixtrans-61.2-45.7176.7-177.5-107000112.3C161 F162 R167 I168 V169 I181 L209 L212 L230 L234C161-F165 WeakPolarHBondContact O-CB 3.41Å; C161-F165 PolarHBondContact O-N 2.79Å; F162-F165 PolarHBondContact O-N 3.32Å; F162-F165 VanDerWaalsContact O-N 3.09Å; F165-R167 PolarHBondContact O-N 3.47Å; F165-I168 HydrophobicContact CD2-CD1 4.06Å; F165-I168 WeakPolarHBondContact O-CB 3.21Å; F165-I168 PolarHBondContact O-N 3.15Å; F165-V169 HydrophobicContact CD1-CG2 4.43Å; F165-V169 HydrophobicContact CE1-CG1 4.27Å; F165-V169 HydrophobicContact CE1-CG2 4.13Å; F165-V169 HydrophobicContact CE2-CG1 4Å; F165-V169 HydrophobicContact CZ-CG1 3.72Å; F165-V169 HydrophobicContact CZ-CG2 4.42Å; F165-V169 WeakPolarHBondContact O-CG2 3.2Å; F165-V169 PolarHBondContact O-N 3.38Å; F165-V169 VanDerWaalsContact O-N 3.17Å; F165-I181 HydrophobicContact CB-CD1 4.48Å; F165-I181 HydrophobicContact CD1-CD1 4.06Å; F165-L209 HydrophobicContact CB-CD1 4.12Å; F165-L212 HydrophobicContact CD2-CB 4.08Å; F165-L212 HydrophobicContact CD2-CD1 3.88Å; F165-L212 HydrophobicContact CD2-CG 4.47Å; F165-L212 HydrophobicContact CE2-CB 4.1Å; F165-L212 HydrophobicContact CE2-CD1 3.99Å; F165-L212 HydrophobicContact CE2-CD2 4.11Å; F165-L212 HydrophobicContact CE2-CG 4.31Å; F165-L230 HydrophobicContact CE1-CB 4.41Å; F165-L230 HydrophobicContact CZ-CB 3.67Å; F165-L230 HydrophobicContact CZ-CD1 4.42Å; F165-L234 HydrophobicContact CB-CD2 3.64Å; F165-L234 HydrophobicContact CD1-CD2 3.39Å; F165-L234 HydrophobicContact CD2-CD2 4.34Å; F165-L234 HydrophobicContact CE1-CD2 4.15Å; F165-L234 HydrophobicContact CG-CD2 3.51Å
166A97.2Very high96.3Very high0 Ų036.5 Ų36.50%020%0.195CC..Hα-helixtrans-54.1-37.2174.500000112.3F162 R164 V169 N170 L171 P177 I181F162-A166 WeakPolarHBondContact O-CB 3.25Å; F162-A166 PolarHBondContact O-N 2.82Å; R164-A166 PolarHBondContact O-N 3.31Å; A166-V169 CarbonylContact O-C 3.55Å; A166-N170 PolarHBondContact O-N 3.48Å; A166-L171 HydrophobicContact CB-CB 4.11Å; A166-L171 PolarHBondContact O-N 3.04Å; A166-P177 HydrophobicContact CB-CB 3.59Å; A166-I181 HydrophobicContact CB-CD1 3.88Å; A166-I181 HydrophobicContact CB-CG1 4.24Å
167R95.3Very high96.2Very high76 Ų7635.9 Ų35.929%0.28719%0.193SC..Hα-helixtrans-67.4-41.3175.8-73177.4-88.4177.9-13.7113G38 D163 R164 F165 V169 N170G38-R167 WeakPolarHBondContact O-CD 3.28Å; G38-R167 WeakPolarHBondContact O-CG 3.3Å; D163-R167 WeakPolarHBondContact O-CG 3.25Å; D163-R167 PolarHBondContact O-N 3.25Å; D163-R167 PolarHBondContact O-NE 3.48Å; R164-R167 WeakPolarHBondContact O-CB 3.09Å; R164-R167 PolarHBondContact O-N 2.87Å; R164-R167 VanDerWaalsContact O-N 3.14Å; F165-R167 PolarHBondContact O-N 3.47Å; R167-V169 VanDerWaalsContact C-N 3.29Å; R167-V169 PolarHBondContact O-N 2.93Å; R167-N170 PolarHBondContact O-N 3.39Å; R167-N170 VanDerWaalsContact O-N 3.15Å
168I93.8Very high96.1Very high60 Ų6036.4 Ų36.431%0.30820%0.199SC..Hα-helixtrans-58.8-44.8177.6-59.6159.6000110.5R164 F165 N170 L209 E213R164-I168 WeakPolarHBondContact O-CG1 3.22Å; R164-I168 PolarHBondContact O-N 2.63Å; R164-I168 VanDerWaalsContact O-N 3.16Å; F165-I168 HydrophobicContact CD2-CD1 4.06Å; F165-I168 WeakPolarHBondContact O-CB 3.21Å; F165-I168 PolarHBondContact O-N 3.15Å; I168-N170 VanDerWaalsContact C-N 3.28Å; I168-N170 PolarHBondContact O-N 3.48Å; I168-L209 HydrophobicContact CD1-CD1 3.97Å; I168-E213 HydrophobicContact CD1-CB 4.15Å; I168-E213 HydrophobicContact CD1-CG 3.11Å; I168-E213 HydrophobicContact CG1-CG 3.87Å
169V95.1Very high96Very high23 Ų2340 Ų4014%0.13922%0.215CC..THydrogen-bonded Turntrans-91.510.8-178.7-60.40000113.1F165 A166 R167 L171 L220 V227F165-V169 HydrophobicContact CD1-CG2 4.43Å; F165-V169 HydrophobicContact CE1-CG1 4.27Å; F165-V169 HydrophobicContact CE1-CG2 4.13Å; F165-V169 HydrophobicContact CE2-CG1 4Å; F165-V169 HydrophobicContact CZ-CG1 3.72Å; F165-V169 HydrophobicContact CZ-CG2 4.42Å; F165-V169 WeakPolarHBondContact O-CG2 3.2Å; F165-V169 PolarHBondContact O-N 3.38Å; F165-V169 VanDerWaalsContact O-N 3.17Å; A166-V169 CarbonylContact O-C 3.55Å; R167-V169 VanDerWaalsContact C-N 3.29Å; R167-V169 PolarHBondContact O-N 2.93Å; V169-L171 VanDerWaalsContact C-N 3.27Å; V169-L171 HydrophobicContact CG2-CB 4.46Å; V169-L171 HydrophobicContact CG2-CD1 3.72Å; V169-L171 HydrophobicContact CG2-CG 3.71Å; V169-L171 PolarHBondContact O-N 3.41Å; V169-L220 HydrophobicContact CG1-CD1 4.25Å; V169-V227 HydrophobicContact CB-CG1 3.75Å; V169-V227 HydrophobicContact CB-CG2 4.45Å; V169-V227 HydrophobicContact CG1-CG1 4.08Å; V169-V227 HydrophobicContact CG2-CG1 3.76Å
170N95.2Very high96Very high105 Ų10541 Ų4156%0.56122%0.22SC*.THydrogen-bonded Turntrans51.939.4177.2-160.141.5000114.5P37 G38 A166 R167 I168P37-N170 WeakPolarHBondContact CB-OD1 3.4Å; G38-N170 PolarHBondContact N-OD1 2.92Å; A166-N170 PolarHBondContact O-N 3.48Å; R167-N170 PolarHBondContact O-N 3.39Å; R167-N170 VanDerWaalsContact O-N 3.15Å; I168-N170 VanDerWaalsContact C-N 3.28Å; I168-N170 PolarHBondContact O-N 3.48Å
171L95.8Very high96.1Very high31 Ų3138.7 Ų38.716%0.16221%0.207CC..  trans-74.1153.1172.7-74.2173.5000111.5A166 V169 I181 L184A166-L171 HydrophobicContact CB-CB 4.11Å; A166-L171 PolarHBondContact O-N 3.04Å; V169-L171 VanDerWaalsContact C-N 3.27Å; V169-L171 HydrophobicContact CG2-CB 4.46Å; V169-L171 HydrophobicContact CG2-CD1 3.72Å; V169-L171 HydrophobicContact CG2-CG 3.71Å; V169-L171 PolarHBondContact O-N 3.41Å; L171-I181 HydrophobicContact CD1-CG1 3.94Å; L171-L184 HydrophobicContact CD1-CD2 4.2Å; L171-L184 HydrophobicContact CD2-CD2 3.91Å
172S96.9Very high96.1Very high52 Ų5239.4 Ų39.436%0.36421%0.21SC..  trans-62.1144.1177.9-178.90000111.8D174 N180S172-D174 VanDerWaalsContact C-N 3.34Å; S172-D174 PolarHBondContact OG-N 3.25Å; S172-D174 PolarHBondContact OG-O 2.9Å; S172-N180 PolarHBondContact O-ND2 3.46Å
173N96.2Very high96.1Very high13 Ų1345.4 Ų45.47%0.0724%0.236CC..  trans-88.6-1.5170-67.1-24.4000112.7I34 T35 P36 E39 P175 S176 P177I34-N173 HydrophobicContact CG2-CB 4.2Å; T35-N173 WeakPolarHBondContact O-CB 3.47Å; T35-N173 PolarHBondContact O-ND2 3.25Å; T35-N173 VanDerWaalsContact O-ND2 3.14Å; T35-N173 PolarHBondContact OG1-ND2 2.54Å; P36-N173 PolarHBondContact O-ND2 3.01Å; E39-N173 PolarHBondContact O-ND2 2.62Å; N173-P175 CarbonylContact O-C 3.59Å; N173-P175 VanDerWaalsContact O-C 3.32Å; N173-S176 VanDerWaalsContact O-CA 3.24Å; N173-S176 WeakPolarHBondContact O-CA 3.31Å; N173-S176 PolarHBondContact O-N 2.84Å; N173-P177 HydrophobicContact CB-CG 4.35Å; N173-P177 WeakPolarHBondContact OD1-CG 3.31Å
174D96.1Very high96.2Very high92 Ų9245.8 Ų45.849%0.49224%0.239SC..SBendtrans-104.7125.9178.5-175.726.1000111.1I34 S172 N180I34-D174 HydrophobicContact CD1-CB 4.15Å; I34-D174 WeakPolarHBondContact CD1-OD1 3.45Å; I34-D174 HydrophobicContact CG2-CB 4.09Å; S172-D174 VanDerWaalsContact C-N 3.34Å; S172-D174 PolarHBondContact OG-N 3.25Å; S172-D174 PolarHBondContact OG-O 2.9Å; D174-N180 PolarHBondContact O-ND2 3.46Å
175P94.1Very high96.2Very high73 Ų7342 Ų4247%0.47423%0.226SC..SBendcis-76.1-24.1-3.731.5-35.8000113.6N173 F179N173-P175 CarbonylContact O-C 3.59Å; N173-P175 VanDerWaalsContact O-C 3.32Å; P175-F179 HydrophobicContact CG-CB 4.29Å; P175-F179 HydrophobicContact CG-CD1 3.62Å; P175-F179 HydrophobicContact CG-CE1 4.16Å; P175-F179 HydrophobicContact CG-CG 4.05Å
176S94.7Very high96.3Very high33 Ų3348.8 Ų48.823%0.23126%0.255CS..  trans-156.9154.9168.468.90000110.3N173 G178 F179 N180N173-S176 VanDerWaalsContact O-CA 3.24Å; N173-S176 WeakPolarHBondContact O-CA 3.31Å; N173-S176 PolarHBondContact O-N 2.84Å; S176-G178 VanDerWaalsContact C-N 3.33Å; S176-G178 PolarHBondContact O-N 3.44Å; S176-F179 PolarHBondContact O-N 2.55Å; S176-F179 VanDerWaalsContact OG-CB 3.26Å; S176-F179 WeakPolarHBondContact OG-CB 3.47Å; S176-F179 PolarHBondContact OG-N 3.23Å; S176-F179 VanDerWaalsContact OG-N 3.15Å; S176-N180 PolarHBondContact O-N 3.4Å; S176-N180 PolarHBondContact O-ND2 2.88Å
177P95.3Very high96.3Very high19 Ų1954.8 Ų54.812%0.12328%0.283CS..Hα-helixtrans-61.6-42.9176.4-1324.4000111.5D163 A166 N173 F179 N180 I181D163-P177 HydrophobicContact CB-CG 4.39Å; D163-P177 WeakPolarHBondContact OD1-CB 3.47Å; D163-P177 WeakPolarHBondContact OD1-CG 3.49Å; A166-P177 HydrophobicContact CB-CB 3.59Å; N173-P177 HydrophobicContact CB-CG 4.35Å; N173-P177 WeakPolarHBondContact OD1-CG 3.31Å; P177-F179 PolarHBondContact O-N 3.25Å; P177-N180 PolarHBondContact O-N 3.39Å; P177-N180 VanDerWaalsContact O-N 3.17Å; P177-I181 PolarHBondContact O-N 3.14Å
178G95.3Very high96.4Very high18 Ų1852 Ų5219%0.18628%0.278CS..Hα-helixtrans-58.3-42.5177.300000113.9S176 I181 E182S176-G178 VanDerWaalsContact C-N 3.33Å; S176-G178 PolarHBondContact O-N 3.44Å; G178-I181 PolarHBondContact O-N 3Å; G178-E182 PolarHBondContact O-N 3.42Å
179F95.4Very high96.6Very high75 Ų7554.3 Ų54.333%0.32930%0.3SS..Hα-helixtrans-65.2-39175.8179.3-96.6000112.2P175 S176 P177 E182 K183P175-F179 HydrophobicContact CG-CB 4.29Å; P175-F179 HydrophobicContact CG-CD1 3.62Å; P175-F179 HydrophobicContact CG-CE1 4.16Å; P175-F179 HydrophobicContact CG-CG 4.05Å; S176-F179 PolarHBondContact O-N 2.55Å; S176-F179 VanDerWaalsContact OG-CB 3.26Å; S176-F179 WeakPolarHBondContact OG-CB 3.47Å; S176-F179 PolarHBondContact OG-N 3.23Å; S176-F179 VanDerWaalsContact OG-N 3.15Å; P177-F179 PolarHBondContact O-N 3.25Å; F179-E182 WeakPolarHBondContact O-CB 3.26Å; F179-E182 PolarHBondContact O-N 3.42Å; F179-K183 WeakPolarHBondContact O-CB 3.45Å; F179-K183 PolarHBondContact O-N 2.83Å
180N97.4Very high96.7Very high26 Ų2656.9 Ų56.914%0.13931%0.309CS..Hα-helixtrans-70.2-35.3178-72.3-39.3000112.4S172 D174 S176 P177 L184S172-N180 PolarHBondContact O-ND2 3.46Å; D174-N180 PolarHBondContact O-ND2 3.46Å; S176-N180 PolarHBondContact O-N 3.4Å; S176-N180 PolarHBondContact O-ND2 2.88Å; P177-N180 PolarHBondContact O-N 3.39Å; P177-N180 VanDerWaalsContact O-N 3.17Å; N180-L184 WeakPolarHBondContact O-CB 3.43Å; N180-L184 PolarHBondContact O-N 3.2Å; N180-L184 VanDerWaalsContact O-N 3.1Å
181I97.8Very high96.9Very high0 Ų056.9 Ų56.90%030%0.304CS..Hα-helixtrans-59.9-47.5168.7-74.3173.7000110.1F162 F165 A166 L171 P177 G178 L184 A185 C231 Q235F162-I181 HydrophobicContact CB-CD1 3.83Å; F162-I181 HydrophobicContact CG-CD1 4.36Å; F162-I181 WeakPolarHBondContact O-CD1 3.45Å; F165-I181 HydrophobicContact CB-CD1 4.48Å; F165-I181 HydrophobicContact CD1-CD1 4.06Å; A166-I181 HydrophobicContact CB-CD1 3.88Å; A166-I181 HydrophobicContact CB-CG1 4.24Å; L171-I181 HydrophobicContact CD1-CG1 3.94Å; P177-I181 PolarHBondContact O-N 3.14Å; G178-I181 PolarHBondContact O-N 3Å; I181-L184 PolarHBondContact O-N 3.09Å; I181-A185 VanDerWaalsContact O-CB 3.27Å; I181-A185 WeakPolarHBondContact O-CB 3.33Å; I181-A185 PolarHBondContact O-N 3.33Å; I181-C231 HydrophobicContact CG2-CB 4.07Å; I181-Q235 HydrophobicContact CG2-CG 4.2Å
182E97.8Very high96.9Very high15 Ų1556.7 Ų56.77%0.0730%0.302CS..Hα-helixtrans-59.9-47.3178.4-176.1-170157.100113.3G178 F179 L184 A185 K186 N267 V268G178-E182 PolarHBondContact O-N 3.42Å; F179-E182 WeakPolarHBondContact O-CB 3.26Å; F179-E182 PolarHBondContact O-N 3.42Å; E182-L184 PolarHBondContact O-N 2.87Å; E182-A185 PolarHBondContact O-N 3.09Å; E182-K186 PolarHBondContact O-N 2.78Å; E182-K186 IonicContact OE1-NZ 3.52Å; E182-N267 WeakPolarHBondContact CB-ND2 3.39Å; E182-N267 WeakPolarHBondContact CG-ND2 3.31Å; E182-N267 WeakPolarHBondContact OE2-CA 3.34Å; E182-N267 PolarHBondContact OE2-ND2 2.9Å; E182-V268 WeakPolarHBondContact OE1-CG2 3.43Å; E182-V268 PolarHBondContact OE1-N 3.3Å
183K97.7Very high97Very high129 Ų12961.8 Ų61.856%0.56132%0.32SS*.Hα-helixtrans-60.5-38.9178.4-176.6179.1176.8-177.70111.7F179F179-K183 WeakPolarHBondContact O-CB 3.45Å; F179-K183 PolarHBondContact O-N 2.83Å
184L97.7Very high97.1Very high37 Ų3761.8 Ų61.819%0.19432%0.32CS..Hα-helixtrans-79.8-34.7-178-163.765.6000112.3L171 N180 I181 E182 K186 Q187 V227 A228L171-L184 HydrophobicContact CD1-CD2 4.2Å; L171-L184 HydrophobicContact CD2-CD2 3.91Å; N180-L184 WeakPolarHBondContact O-CB 3.43Å; N180-L184 PolarHBondContact O-N 3.2Å; N180-L184 VanDerWaalsContact O-N 3.1Å; I181-L184 PolarHBondContact O-N 3.09Å; E182-L184 PolarHBondContact O-N 2.87Å; L184-K186 PolarHBondContact O-N 2.93Å; L184-Q187 WeakPolarHBondContact O-CB 3.27Å; L184-Q187 PolarHBondContact O-N 2.96Å; L184-V227 HydrophobicContact CD2-CB 3.95Å; L184-V227 HydrophobicContact CD2-CG1 3.52Å; L184-A228 HydrophobicContact CD1-CB 4.18Å; L184-A228 HydrophobicContact CG-CB 3.9Å; L184-A228 WeakPolarHBondContact O-CB 3.37Å
185A98.4Very high97.2Very high6 Ų659.7 Ų59.75%0.0531%0.311CS..Hα-helixtrans-56-34175.100000112.4I181 E182 Q187 G188 C231 F232 Q235I181-A185 VanDerWaalsContact O-CB 3.27Å; I181-A185 WeakPolarHBondContact O-CB 3.33Å; I181-A185 PolarHBondContact O-N 3.33Å; E182-A185 PolarHBondContact O-N 3.09Å; A185-Q187 PolarHBondContact O-N 3.34Å; A185-Q187 VanDerWaalsContact O-N 3.08Å; A185-G188 PolarHBondContact O-N 3.13Å; A185-C231 HydrophobicContact CB-CB 3.99Å; A185-F232 HydrophobicContact CB-CB 4.4Å; A185-Q235 HydrophobicContact CB-CG 4.41Å; A185-Q235 VanDerWaalsContact CB-OE1 3.29Å
186K98.2Very high97.4Very high141 Ų14161.3 Ų61.361%0.61331%0.309SS*.THydrogen-bonded Turntrans-61.3-16.4175.1-68.1173.4-176175.10114.2E182 L184E182-K186 PolarHBondContact O-N 2.78Å; E182-K186 IonicContact OE1-NZ 3.52Å; L184-K186 PolarHBondContact O-N 2.93Å
187Q98.1Very high97.5Very high126 Ų12660.9 Ų60.959%0.58931%0.307SS*.THydrogen-bonded Turntrans-99.8-7.2177.9-57.216931.500112.1L184 A185 A228L184-Q187 WeakPolarHBondContact O-CB 3.27Å; L184-Q187 PolarHBondContact O-N 2.96Å; A185-Q187 PolarHBondContact O-N 3.34Å; A185-Q187 VanDerWaalsContact O-N 3.08Å; Q187-A228 HydrophobicContact CB-CB 3.93Å
188G97.7Very high97.7Very high17 Ų1761.3 Ų61.318%0.17531%0.309CS..  trans-69.3143.1175.800000110.9A185A185-G188 PolarHBondContact O-N 3.13Å
189S97Very high97.8Very high110 Ų11066.2 Ų66.277%0.76933%0.326SS*.  trans-130.9-17.1-178.9630000113.1D229S189-D229 PolarHBondContact N-OD1 3.42Å
190K98.1Very high97.9Very high76 Ų7664.7 Ų64.733%0.3333%0.331SS..  trans-116.2125.2-178.6-162.5179.4173-166.40110.5E224 Y225 D229 S233K190-E224 VanDerWaalsContact NZ-CG 3.28Å; K190-E224 PolarHBondContact NZ-O 2.94Å; K190-E224 IonicContact NZ-OE1 3.04Å; K190-E224 PolarHBondContact NZ-OE1 3.43Å; K190-Y225 HydrophobicContact CB-CD1 4.22Å; K190-Y225 HydrophobicContact CB-CE1 4.08Å; K190-Y225 HydrophobicContact CD-CD1 3.87Å; K190-Y225 HydrophobicContact CD-CE1 3.43Å; K190-Y225 VanDerWaalsContact CD-CE1 3.43Å; K190-Y225 HydrophobicContact CD-CE2 4.47Å; K190-Y225 VanDerWaalsContact CE-OH 3.27Å; K190-Y225 WeakPolarHBondContact CE-OH 2.94Å; K190-Y225 HydrophobicContact CG-CD1 4.15Å; K190-Y225 HydrophobicContact CG-CE1 3.57Å; K190-D229 HydrophobicContact CB-CB 4.35Å; K190-D229 PolarHBondContact N-OD1 2.92Å; K190-D229 WeakPolarHBondContact O-CB 3.36Å; K190-S233 PolarHBondContact O-OG 2.82Å
191F98.3Very high97.9Very high106 Ų10666.1 Ų66.147%0.46534%0.338SS..PPolyproline II helixtrans-83.1123.7174.2-174.3-106.1000110.4F232 E236F191-F232 HydrophobicContact CB-CE1 3.92Å; F191-F232 HydrophobicContact CD2-CE1 4.08Å; F191-E236 HydrophobicContact CD2-CB 4.45Å; F191-E236 HydrophobicContact CE2-CB 3.97Å
192F97.8Very high98Very high27 Ų2768.7 Ų68.712%0.11835%0.352CS..PPolyproline II helixtrans-100122.6170.6-178.3-117.5000108.9L194 F211 L212 R215 L219 Y225 L230 S233F192-L194 HydrophobicContact CD1-CD2 3.66Å; F192-L194 HydrophobicContact CD1-CG 4.35Å; F192-L194 HydrophobicContact CE1-CD2 3.83Å; F192-L194 PolarHBondContact O-N 3.01Å; F192-F211 HydrophobicContact CE1-CD1 4.16Å; F192-F211 AromaticContact CE1-CE1 3.54Å; F192-F211 HydrophobicContact CE1-CE1 3.54Å; F192-F211 AromaticContact CZ-CE1 3.71Å; F192-F211 HydrophobicContact CZ-CE1 3.71Å; F192-F211 HydrophobicContact CZ-CZ 4.3Å; F192-L212 HydrophobicContact CD1-CD2 4.48Å; F192-R215 HydrophobicContact CE1-CB 4.49Å; F192-R215 HydrophobicContact CZ-CB 4.37Å; F192-L219 HydrophobicContact CD1-CD1 4.1Å; F192-L219 HydrophobicContact CD2-CD1 4.12Å; F192-L219 HydrophobicContact CE1-CD1 3.72Å; F192-L219 HydrophobicContact CE2-CD1 3.76Å; F192-L219 HydrophobicContact CE2-CD2 4.3Å; F192-L219 HydrophobicContact CG-CD1 4.29Å; F192-L219 HydrophobicContact CZ-CD1 3.56Å; F192-Y225 HydrophobicContact CB-CD1 4.06Å; F192-Y225 HydrophobicContact CB-CE1 3.62Å; F192-Y225 HydrophobicContact CD2-CE1 4.13Å; F192-Y225 AromaticContact CD2-CE2 3.98Å; F192-Y225 HydrophobicContact CD2-CE2 3.98Å; F192-Y225 AromaticContact CD2-CZ 3.69Å; F192-Y225 HydrophobicContact CG-CE1 4.28Å; F192-L230 HydrophobicContact CB-CD2 4.23Å; F192-L230 HydrophobicContact CD1-CD2 4.09Å; F192-L230 HydrophobicContact CG-CD2 4.3Å; F192-S233 PolarHBondContact N-OG 2.8Å; F192-S233 WeakPolarHBondContact O-CB 3.27Å
193E97.9Very high98Very high159 Ų15968 Ų6874%0.74335%0.348SS*.PPolyproline II helixtrans-66.7124.9-177.4-166177.6151.800111.1
194L98.2Very high98Very high12 Ų1262.7 Ų62.76%0.06333%0.327CS..  trans-117.6154.6-179-66.9178.5000111.1F192 Y196 L208 F211 L212 L234 T237F192-L194 HydrophobicContact CD1-CD2 3.66Å; F192-L194 HydrophobicContact CD1-CG 4.35Å; F192-L194 HydrophobicContact CE1-CD2 3.83Å; F192-L194 PolarHBondContact O-N 3.01Å; L194-Y196 PolarHBondContact O-N 3.49Å; L194-L208 HydrophobicContact CB-CG 4.38Å; L194-L208 HydrophobicContact CD1-CD2 4.22Å; L194-L208 HydrophobicContact CD1-CG 4.44Å; L194-F211 HydrophobicContact CD2-CD1 3.74Å; L194-F211 HydrophobicContact CD2-CE1 4.08Å; L194-L212 HydrophobicContact CD1-CD1 3.97Å; L194-L212 HydrophobicContact CD1-CD2 4.4Å; L194-L212 HydrophobicContact CD1-CG 4.29Å; L194-L212 HydrophobicContact CD2-CD1 4.29Å; L194-L212 HydrophobicContact CD2-CD2 3.67Å; L194-L212 HydrophobicContact CD2-CG 3.69Å; L194-L234 HydrophobicContact CD1-CB 4.35Å; L194-T237 HydrophobicContact CB-CG2 3.91Å
195P98.2Very high98.1Very high49 Ų4960.9 Ų60.932%0.31832%0.318SS..  trans-57.9125176-23.733.4000112.2F211P195-F211 HydrophobicContact CG-CB 3.87Å; P195-F211 HydrophobicContact CG-CD1 4.25Å; P195-F211 HydrophobicContact CG-CD2 4.07Å; P195-F211 HydrophobicContact CG-CG 3.82Å
196Y98.5Very high98Very high106 Ų10662.3 Ų62.342%0.41633%0.33SS..  trans-100.5106.2177.4-165.1-82.9000110.5L194 V198 T237 A240 M241 E244L194-Y196 PolarHBondContact O-N 3.49Å; Y196-V198 HydrophobicContact CD1-CG2 4.2Å; Y196-V198 HydrophobicContact CE1-CB 4.1Å; Y196-V198 HydrophobicContact CE1-CG2 3.47Å; Y196-V198 VanDerWaalsContact CE1-CG2 3.47Å; Y196-T237 HydrophobicContact CD2-CG2 4.11Å; Y196-A240 HydrophobicContact CE2-CB 3.86Å; Y196-A240 VanDerWaalsContact OH-C 3.32Å; Y196-A240 PolarHBondContact OH-O 3.29Å; Y196-M241 HydrophobicContact CD1-CG 4.22Å; Y196-M241 HydrophobicContact CD2-CG 3.71Å; Y196-M241 HydrophobicContact CE1-CG 4.01Å; Y196-M241 HydrophobicContact CE2-CB 4.4Å; Y196-M241 HydrophobicContact CE2-CG 3.47Å; Y196-M241 VanDerWaalsContact CE2-CG 3.47Å; Y196-M241 HydrophobicContact CG-CG 4.09Å; Y196-M241 WeakPolarHBondContact OH-CA 3.39Å; Y196-M241 PolarHBondContact OH-N 3.39Å; Y196-E244 WeakPolarHBondContact CE1-OE2 3.39Å; Y196-E244 VanDerWaalsContact CZ-OE2 3.23Å; Y196-E244 PolarHBondContact OH-OE2 2.94Å
197A97.5Very high98Very high24 Ų2457.3 Ų57.320%0.19832%0.318CS..  trans-121.363.2-165.200000113.9S204 M241A197-S204 WeakPolarHBondContact CB-O 3.42Å; A197-S204 PolarHBondContact O-N 2.88Å; A197-S204 VanDerWaalsContact O-N 3.13Å; A197-M241 HydrophobicContact CB-CE 4.21Å; A197-M241 WeakPolarHBondContact O-CE 3.29Å
198V98.6Very high97.9Very high28 Ų2851.3 Ų51.317%0.1729%0.29CS..EExtended strand (participates in β ladder)trans-86.4132.7168.1174.60000110.2Y196 V203 M241 I245Y196-V198 HydrophobicContact CD1-CG2 4.2Å; Y196-V198 HydrophobicContact CE1-CB 4.1Å; Y196-V198 HydrophobicContact CE1-CG2 3.47Å; Y196-V198 VanDerWaalsContact CE1-CG2 3.47Å; V198-V203 HydrophobicContact CG2-CG1 4.15Å; V198-M241 HydrophobicContact CG2-CB 3.87Å; V198-M241 HydrophobicContact CG2-CG 3.96Å; V198-I245 HydrophobicContact CG1-CG2 3.7Å; V198-I245 HydrophobicContact CG2-CG2 4.35Å
199K97.9Very high97.9Very high121 Ų12150.5 Ų50.553%0.52628%0.282SS..EExtended strand (participates in β ladder)trans-129.488.9-179.7-69.1177.3-179.31760110.3I154 M201 D202I154-K199 HydrophobicContact CD1-CD 3.76Å; K199-M201 PolarHBondContact O-N 3.3Å; K199-D202 PolarHBondContact N-O 3.46Å; K199-D202 WeakPolarHBondContact O-CB 3.36Å; K199-D202 PolarHBondContact O-N 3.02Å
200G97.7Very high97.9Very high44 Ų4448 Ų4845%0.45427%0.265SS..THydrogen-bonded Turntrans66.9-117.6-173.400000110.5R248G200-R248 WeakPolarHBondContact O-CD 3.47Å; G200-R248 PolarHBondContact O-NH1 3.28Å
201M97.6Very high97.9Very high55 Ų5547.3 Ų47.327%0.27126%0.261SS..THydrogen-bonded Turntrans-96-1.7172-70-170.5-76.900112.9F150 G151 K199 I245 R248 A249F150-M201 HydrophobicContact CB-CE 4.34Å; F150-M201 HydrophobicContact CB-SD 4.06Å; F150-M201 HydrophobicContact CD1-CE 4.2Å; F150-M201 HydrophobicContact CD1-SD 4.39Å; F150-M201 VanDerWaalsContact O-CB 3.25Å; F150-M201 WeakPolarHBondContact O-CB 3.48Å; F150-M201 WeakPolarHBondContact O-CE 3.42Å; G151-M201 VanDerWaalsContact CA-O 3.24Å; G151-M201 WeakPolarHBondContact CA-O 3.11Å; K199-M201 PolarHBondContact O-N 3.3Å; M201-I245 WeakPolarHBondContact O-CB 3.46Å; M201-I245 WeakPolarHBondContact O-CG2 3.21Å; M201-R248 HydrophobicContact CG-CB 4.36Å; M201-A249 HydrophobicContact SD-CB 4.34Å
202D98.5Very high97.8Very high55 Ų5542.2 Ų42.229%0.29424%0.239SC..EExtended strand (participates in β ladder)trans-95.2162.2180-61.5-35.4000112.5G151 E152 I154 K199G151-D202 WeakPolarHBondContact CA-OD1 3.39Å; E152-D202 PolarHBondContact N-OD1 3.43Å; E152-D202 VanDerWaalsContact O-CA 3.31Å; E152-D202 WeakPolarHBondContact O-CA 3.38Å; E152-D202 VanDerWaalsContact O-CB 3.32Å; E152-D202 WeakPolarHBondContact O-CB 3.2Å; I154-D202 HydrophobicContact CG2-CB 3.93Å; K199-D202 PolarHBondContact N-O 3.46Å; K199-D202 WeakPolarHBondContact O-CB 3.36Å; K199-D202 PolarHBondContact O-N 3.02Å
203V98.6Very high97.7Very high0 Ų044.2 Ų44.20%025%0.249CC..EExtended strand (participates in β ladder)trans-132.5154.8178.1-78.30000112T137 E152 T153 I154 V198 F205 M241 I245T137-V203 HydrophobicContact CG2-CG2 4.09Å; E152-V203 PolarHBondContact O-N 3.26Å; T153-V203 VanDerWaalsContact CA-O 3.3Å; T153-V203 WeakPolarHBondContact CA-O 3.41Å; I154-V203 WeakPolarHBondContact CG1-O 3.5Å; I154-V203 PolarHBondContact N-O 2.91Å; V198-V203 HydrophobicContact CG2-CG1 4.15Å; V203-F205 HydrophobicContact CB-CE2 4.03Å; V203-F205 HydrophobicContact CB-CZ 3.96Å; V203-F205 HydrophobicContact CG2-CD2 4.42Å; V203-F205 HydrophobicContact CG2-CE2 3.49Å; V203-F205 VanDerWaalsContact CG2-CE2 3.49Å; V203-F205 HydrophobicContact CG2-CZ 3.7Å; V203-M241 HydrophobicContact CB-CE 4.11Å; V203-M241 HydrophobicContact CG1-CB 4.17Å; V203-M241 HydrophobicContact CG1-CE 4.03Å; V203-I245 HydrophobicContact CG1-CD1 3.77Å; V203-I245 HydrophobicContact CG1-CG1 4.44Å; V203-I245 HydrophobicContact CG1-CG2 3.84Å; V203-I245 HydrophobicContact CG2-CD1 3.99Å
204S98.5Very high97.7Very high17 Ų1742.6 Ų42.612%0.11924%0.241CC..  trans-132.8122.5175.9173.20000109.8D155 A197D155-S204 WeakPolarHBondContact OD2-CA 3.33Å; D155-S204 WeakPolarHBondContact OD2-CB 3.43Å; D155-S204 PolarHBondContact OD2-OG 3.03Å; A197-S204 WeakPolarHBondContact CB-O 3.42Å; A197-S204 PolarHBondContact O-N 2.88Å; A197-S204 VanDerWaalsContact O-N 3.13Å
205F98.6Very high97.6Very high0 Ų047.1 Ų47.10%026%0.258CS..  trans-109.4-13.5-178-59.2-72.8000113T137 D155 I156 L158 C161 V203 G207 L208 L209 A238 M241 V242T137-F205 HydrophobicContact CG2-CE2 3.91Å; T137-F205 HydrophobicContact CG2-CZ 4.33Å; D155-F205 PolarHBondContact OD1-N 2.88Å; D155-F205 PolarHBondContact OD2-N 2.92Å; I156-F205 HydrophobicContact CD1-CB 4.28Å; I156-F205 HydrophobicContact CG1-CB 3.84Å; I156-F205 WeakPolarHBondContact O-CD2 3.41Å; L158-F205 HydrophobicContact CB-CE2 4Å; L158-F205 HydrophobicContact CB-CZ 4.02Å; L158-F205 HydrophobicContact CD1-CD1 4.16Å; L158-F205 HydrophobicContact CD1-CE1 3.81Å; L158-F205 HydrophobicContact CD1-CZ 4.09Å; L158-F205 HydrophobicContact CG-CZ 4.48Å; C161-F205 HydrophobicContact CB-CB 4.03Å; V203-F205 HydrophobicContact CB-CE2 4.03Å; V203-F205 HydrophobicContact CB-CZ 3.96Å; V203-F205 HydrophobicContact CG2-CD2 4.42Å; V203-F205 HydrophobicContact CG2-CE2 3.49Å; V203-F205 VanDerWaalsContact CG2-CE2 3.49Å; V203-F205 HydrophobicContact CG2-CZ 3.7Å; F205-G207 PolarHBondContact O-N 3.18Å; F205-L208 PolarHBondContact O-N 3.49Å; F205-L209 WeakPolarHBondContact O-CB 3.34Å; F205-L209 PolarHBondContact O-N 3.23Å; F205-A238 HydrophobicContact CD1-CB 4.39Å; F205-A238 HydrophobicContact CE1-CB 4.11Å; F205-M241 HydrophobicContact CD1-CE 4.14Å; F205-M241 HydrophobicContact CE1-CE 3.89Å; F205-M241 HydrophobicContact CE1-SD 4.35Å; F205-V242 HydrophobicContact CZ-CG1 3.86Å
206A97.3Very high97.4Very high35 Ų3544.9 Ų44.929%0.28924%0.243SC..Hα-helixtrans-65.6-37.9-178.500000112.5D155 L209 S210D155-A206 HydrophobicContact CB-CB 4.02Å; D155-A206 PolarHBondContact OD1-N 3.3Å; D155-A206 WeakPolarHBondContact OD2-CB 3.29Å; D155-A206 PolarHBondContact OD2-N 3.25Å; A206-L209 PolarHBondContact O-N 3.26Å; A206-S210 WeakPolarHBondContact O-CB 3.45Å; A206-S210 PolarHBondContact O-N 3.1Å; A206-S210 PolarHBondContact O-OG 3.3Å
207G96.9Very high97.2Very high36 Ų3643.3 Ų43.337%0.37125%0.246SC..Hα-helixtrans-65.1-41.3174.900000112.4F205 S210 F211F205-G207 PolarHBondContact O-N 3.18Å; G207-S210 WeakPolarHBondContact CA-OG 3.33Å; G207-S210 PolarHBondContact O-OG 3.07Å; G207-F211 WeakPolarHBondContact O-CB 3.48Å; G207-F211 PolarHBondContact O-N 3.44Å; G207-F211 VanDerWaalsContact O-N 3.12Å
208L96.9Very high97.1Very high0 Ų049 Ų490%027%0.266CS..Hα-helixtrans-62.5-47.8175.6-173.3159.1000110.9L194 F205 F211 L212 L234 T237 A238 M241L194-L208 HydrophobicContact CB-CG 4.38Å; L194-L208 HydrophobicContact CD1-CD2 4.22Å; L194-L208 HydrophobicContact CD1-CG 4.44Å; F205-L208 PolarHBondContact O-N 3.49Å; L208-F211 PolarHBondContact O-N 3.02Å; L208-L212 HydrophobicContact CD2-CD1 4.02Å; L208-L212 PolarHBondContact O-N 2.99Å; L208-L234 HydrophobicContact CD2-CD1 3.26Å; L208-T237 HydrophobicContact CD1-CG2 3.76Å; L208-A238 HydrophobicContact CD1-CB 4.42Å; L208-M241 HydrophobicContact CD1-SD 4.12Å
209L97.7Very high96.9Very high1 Ų148.6 Ų48.61%0.00526%0.263CS..Hα-helixtrans-65-47.4-180178.163.2000112.5I156 R164 F165 I168 F205 A206 F211 L212 E213I156-L209 HydrophobicContact CD1-CB 4.37Å; I156-L209 HydrophobicContact CD1-CD2 3.76Å; R164-L209 HydrophobicContact CB-CD1 4.1Å; R164-L209 HydrophobicContact CB-CD2 3.55Å; R164-L209 HydrophobicContact CB-CG 4.47Å; R164-L209 HydrophobicContact CG-CD2 4.15Å; F165-L209 HydrophobicContact CB-CD1 4.12Å; I168-L209 HydrophobicContact CD1-CD1 3.97Å; F205-L209 WeakPolarHBondContact O-CB 3.34Å; F205-L209 PolarHBondContact O-N 3.23Å; A206-L209 PolarHBondContact O-N 3.26Å; L209-F211 VanDerWaalsContact C-N 3.26Å; L209-F211 PolarHBondContact O-N 3.35Å; L209-L212 CarbonylContact O-C 3.32Å; L209-L212 WeakPolarHBondContact O-CB 3.41Å; L209-L212 PolarHBondContact O-N 3.25Å; L209-L212 VanDerWaalsContact O-N 3.11Å; L209-E213 HydrophobicContact CD1-CG 4.42Å; L209-E213 HydrophobicContact CG-CG 4.37Å; L209-E213 WeakPolarHBondContact O-CG 3.4Å; L209-E213 PolarHBondContact O-N 3.01Å
210S97.5Very high96.8Very high58 Ų5845.5 Ų45.541%0.40625%0.252SS..Hα-helixtrans-63.3-34.5-179.650.60000112.2A206 G207 E213 E214A206-S210 WeakPolarHBondContact O-CB 3.45Å; A206-S210 PolarHBondContact O-N 3.1Å; A206-S210 PolarHBondContact O-OG 3.3Å; G207-S210 WeakPolarHBondContact CA-OG 3.33Å; G207-S210 PolarHBondContact O-OG 3.07Å; S210-E213 PolarHBondContact O-N 2.96Å; S210-E214 PolarHBondContact O-N 2.88Å
211F97.7Very high96.7Very high60 Ų6051.6 Ų51.626%0.26327%0.268SS..Hα-helixtrans-61.9-42.8172.1-172.2-94.5000112.1F192 L194 P195 G207 L208 L209 R215F192-F211 HydrophobicContact CE1-CD1 4.16Å; F192-F211 AromaticContact CE1-CE1 3.54Å; F192-F211 HydrophobicContact CE1-CE1 3.54Å; F192-F211 AromaticContact CZ-CE1 3.71Å; F192-F211 HydrophobicContact CZ-CE1 3.71Å; F192-F211 HydrophobicContact CZ-CZ 4.3Å; L194-F211 HydrophobicContact CD2-CD1 3.74Å; L194-F211 HydrophobicContact CD2-CE1 4.08Å; P195-F211 HydrophobicContact CG-CB 3.87Å; P195-F211 HydrophobicContact CG-CD1 4.25Å; P195-F211 HydrophobicContact CG-CD2 4.07Å; P195-F211 HydrophobicContact CG-CG 3.82Å; G207-F211 WeakPolarHBondContact O-CB 3.48Å; G207-F211 PolarHBondContact O-N 3.44Å; G207-F211 VanDerWaalsContact O-N 3.12Å; L208-F211 PolarHBondContact O-N 3.02Å; L209-F211 VanDerWaalsContact C-N 3.26Å; L209-F211 PolarHBondContact O-N 3.35Å; F211-R215 HydrophobicContact CE1-CG 4.42Å; F211-R215 HydrophobicContact CZ-CG 4.46Å; F211-R215 WeakPolarHBondContact O-CB 3.41Å; F211-R215 VanDerWaalsContact O-CG 3.31Å; F211-R215 WeakPolarHBondContact O-CG 3.48Å; F211-R215 PolarHBondContact O-N 3.12Å; F211-R215 VanDerWaalsContact O-N 3.12Å
212L96.3Very high96.6Very high0 Ų053.1 Ų53.10%028%0.281CS..Hα-helixtrans-66.8-41.6172.6-80.8170.8000112.3F165 F192 L194 L208 L209 E214 R215 A216 L230 L234F165-L212 HydrophobicContact CD2-CB 4.08Å; F165-L212 HydrophobicContact CD2-CD1 3.88Å; F165-L212 HydrophobicContact CD2-CG 4.47Å; F165-L212 HydrophobicContact CE2-CB 4.1Å; F165-L212 HydrophobicContact CE2-CD1 3.99Å; F165-L212 HydrophobicContact CE2-CD2 4.11Å; F165-L212 HydrophobicContact CE2-CG 4.31Å; F192-L212 HydrophobicContact CD1-CD2 4.48Å; L194-L212 HydrophobicContact CD1-CD1 3.97Å; L194-L212 HydrophobicContact CD1-CD2 4.4Å; L194-L212 HydrophobicContact CD1-CG 4.29Å; L194-L212 HydrophobicContact CD2-CD1 4.29Å; L194-L212 HydrophobicContact CD2-CD2 3.67Å; L194-L212 HydrophobicContact CD2-CG 3.69Å; L208-L212 HydrophobicContact CD2-CD1 4.02Å; L208-L212 PolarHBondContact O-N 2.99Å; L209-L212 CarbonylContact O-C 3.32Å; L209-L212 WeakPolarHBondContact O-CB 3.41Å; L209-L212 PolarHBondContact O-N 3.25Å; L209-L212 VanDerWaalsContact O-N 3.11Å; L212-E214 VanDerWaalsContact C-N 3.29Å; L212-E214 PolarHBondContact O-N 3.28Å; L212-R215 PolarHBondContact O-N 3.5Å; L212-A216 WeakPolarHBondContact O-CB 3.32Å; L212-A216 PolarHBondContact O-N 3.46Å; L212-L230 HydrophobicContact CD2-CD2 4.35Å; L212-L234 HydrophobicContact CD1-CB 4.09Å; L212-L234 HydrophobicContact CD1-CD1 3.9Å; L212-L234 HydrophobicContact CD1-CD2 4.28Å; L212-L234 HydrophobicContact CD1-CG 4.31Å
213E95.9Very high96.4Very high68 Ų6853.3 Ų53.332%0.31830%0.296SS..Hα-helixtrans-55.5-43.6176.1-78.4174.5174.300111.5R164 I168 L209 S210 P217R164-E213 IonicContact CZ-OE1 2.89Å; R164-E213 IonicContact NE-OE1 3.36Å; R164-E213 IonicContact NH2-OE1 3.42Å; R164-E213 PolarHBondContact NH2-OE1 2.95Å; R164-E213 IonicContact NH2-OE2 2.67Å; I168-E213 HydrophobicContact CD1-CB 4.15Å; I168-E213 HydrophobicContact CD1-CG 3.11Å; I168-E213 HydrophobicContact CG1-CG 3.87Å; L209-E213 HydrophobicContact CD1-CG 4.42Å; L209-E213 HydrophobicContact CG-CG 4.37Å; L209-E213 WeakPolarHBondContact O-CG 3.4Å; L209-E213 PolarHBondContact O-N 3.01Å; S210-E213 PolarHBondContact O-N 2.96Å; E213-P217 WeakPolarHBondContact O-CD 3.46Å
214E96.8Very high96.2Very high126 Ų12658.2 Ų58.259%0.58932%0.319SS*.Hα-helixtrans-70.3-42.5178.7-173.2-165.6126.400112.5S210 L212S210-E214 PolarHBondContact O-N 2.88Å; L212-E214 VanDerWaalsContact C-N 3.29Å; L212-E214 PolarHBondContact O-N 3.28Å
215R96Very high96.2Very high107 Ų10758.7 Ų58.740%0.40432%0.318SS..Hα-helixtrans-94.3-33.4-167.4-61.5-61.3174.4111.6-1.1114.3F192 F211 L212 K218 L219F192-R215 HydrophobicContact CE1-CB 4.49Å; F192-R215 HydrophobicContact CZ-CB 4.37Å; F211-R215 HydrophobicContact CE1-CG 4.42Å; F211-R215 HydrophobicContact CZ-CG 4.46Å; F211-R215 WeakPolarHBondContact O-CB 3.41Å; F211-R215 VanDerWaalsContact O-CG 3.31Å; F211-R215 WeakPolarHBondContact O-CG 3.48Å; F211-R215 PolarHBondContact O-N 3.12Å; F211-R215 VanDerWaalsContact O-N 3.12Å; L212-R215 PolarHBondContact O-N 3.5Å; R215-K218 PolarHBondContact O-N 3.41Å; R215-L219 HydrophobicContact CB-CD1 3.94Å; R215-L219 HydrophobicContact CB-CG 4.42Å; R215-L219 VanDerWaalsContact O-CG 3.3Å; R215-L219 WeakPolarHBondContact O-CG 3.35Å; R215-L219 PolarHBondContact O-N 3.49Å
216A94.7Very high96.1Very high1 Ų162 Ų621%0.00834%0.339CS..Hα-helixtrans-54.6-46.3-174.300000113.2L212 K218 L219 L220 L230L212-A216 WeakPolarHBondContact O-CB 3.32Å; L212-A216 PolarHBondContact O-N 3.46Å; A216-K218 VanDerWaalsContact C-N 3.31Å; A216-K218 PolarHBondContact O-N 3.41Å; A216-L219 PolarHBondContact O-N 3.33Å; A216-L220 WeakPolarHBondContact O-CB 3.34Å; A216-L220 WeakPolarHBondContact O-CG 3.11Å; A216-L220 PolarHBondContact O-N 3.16Å; A216-L230 HydrophobicContact CB-CD1 3.7Å
217P94.2Very high96.2Very high74 Ų7462.3 Ų62.348%0.48134%0.337SS..Hα-helixtrans-56.7-44.9-179.8-25.635.4000112.6E213 E221E213-P217 WeakPolarHBondContact O-CD 3.46Å; P217-E221 VanDerWaalsContact O-CB 3.31Å; P217-E221 WeakPolarHBondContact O-CB 3.3Å; P217-E221 PolarHBondContact O-N 2.92Å
218K95.2Very high96.2Very high143 Ų14361 Ų6162%0.62232%0.322SS*.Hα-helixtrans-69.9-42.4-179.6-172.3176.6-179.61800112.2R215 A216 L220 E221 T222R215-K218 PolarHBondContact O-N 3.41Å; A216-K218 VanDerWaalsContact C-N 3.31Å; A216-K218 PolarHBondContact O-N 3.41Å; K218-L220 VanDerWaalsContact C-N 3.3Å; K218-L220 PolarHBondContact O-N 2.81Å; K218-E221 PolarHBondContact O-N 3.25Å; K218-T222 WeakPolarHBondContact O-CG2 3.44Å; K218-T222 PolarHBondContact O-N 3.43Å; K218-T222 PolarHBondContact O-OG1 3.16Å
219L95.4Very high96.3Very high20 Ų2061.4 Ų61.411%0.10533%0.325CS..Hα-helixtrans-65.2-35.2179.7-66.2171.1000112.3F192 R215 A216 T222 E224 Y225 L230F192-L219 HydrophobicContact CD1-CD1 4.1Å; F192-L219 HydrophobicContact CD2-CD1 4.12Å; F192-L219 HydrophobicContact CE1-CD1 3.72Å; F192-L219 HydrophobicContact CE2-CD1 3.76Å; F192-L219 HydrophobicContact CE2-CD2 4.3Å; F192-L219 HydrophobicContact CG-CD1 4.29Å; F192-L219 HydrophobicContact CZ-CD1 3.56Å; R215-L219 HydrophobicContact CB-CD1 3.94Å; R215-L219 HydrophobicContact CB-CG 4.42Å; R215-L219 VanDerWaalsContact O-CG 3.3Å; R215-L219 WeakPolarHBondContact O-CG 3.35Å; R215-L219 PolarHBondContact O-N 3.49Å; A216-L219 PolarHBondContact O-N 3.33Å; L219-T222 PolarHBondContact O-OG1 3.04Å; L219-E224 PolarHBondContact O-N 2.82Å; L219-Y225 HydrophobicContact CB-CD2 4.21Å; L219-Y225 HydrophobicContact CD1-CD2 4.44Å; L219-Y225 HydrophobicContact CD2-CD2 3.77Å; L219-Y225 HydrophobicContact CD2-CE2 3.99Å; L219-Y225 HydrophobicContact CG-CD2 4.35Å; L219-Y225 PolarHBondContact O-N 3.03Å; L219-L230 HydrophobicContact CD1-CD2 4.08Å
220L95.9Very high96.3Very high55 Ų5561.3 Ų61.329%0.28832%0.324SS..Hα-helixtrans-74.8-39.3176.1-64.7173.5000111.5V169 A216 K218 G223 V227 L230V169-L220 HydrophobicContact CG1-CD1 4.25Å; A216-L220 WeakPolarHBondContact O-CB 3.34Å; A216-L220 WeakPolarHBondContact O-CG 3.11Å; A216-L220 PolarHBondContact O-N 3.16Å; K218-L220 VanDerWaalsContact C-N 3.3Å; K218-L220 PolarHBondContact O-N 2.81Å; L220-G223 PolarHBondContact O-N 3.42Å; L220-V227 HydrophobicContact CD1-CG2 3.99Å; L220-V227 HydrophobicContact CD2-CB 4.42Å; L220-V227 HydrophobicContact CD2-CG2 3.65Å; L220-V227 HydrophobicContact CG-CG2 4.49Å; L220-L230 HydrophobicContact CD1-CD1 4.45Å; L220-L230 HydrophobicContact CD2-CD1 4.04Å; L220-L230 HydrophobicContact CG-CD1 4.12Å
221E95.6Very high96.4Very high172 Ų17258.6 Ų58.680%0.80431%0.305SS*.Hα-helixtrans-64.8-40.3177.7-175.6-179.7-162.300112.5P217 K218 G223P217-E221 VanDerWaalsContact O-CB 3.31Å; P217-E221 WeakPolarHBondContact O-CB 3.3Å; P217-E221 PolarHBondContact O-N 2.92Å; K218-E221 PolarHBondContact O-N 3.25Å; E221-G223 PolarHBondContact O-N 2.84Å
222T95.2Very high96.4Very high87 Ų8758.1 Ų58.153%0.53430%0.303SS..THydrogen-bonded Turntrans-71.2-15.2176.360.30000113.3K218 L219 E224K218-T222 WeakPolarHBondContact O-CG2 3.44Å; K218-T222 PolarHBondContact O-N 3.43Å; K218-T222 PolarHBondContact O-OG1 3.16Å; L219-T222 PolarHBondContact O-OG1 3.04Å; T222-E224 PolarHBondContact O-N 3.17Å; T222-E224 WeakPolarHBondContact OG1-CB 3.41Å; T222-E224 PolarHBondContact OG1-N 2.01Å
223G93.7Very high96.5Very high60 Ų6058.1 Ų58.162%0.61930%0.303SS*.THydrogen-bonded Turntrans68.311.3-171.700000113.8L220 E221 Y225L220-G223 PolarHBondContact O-N 3.42Å; E221-G223 PolarHBondContact O-N 2.84Å; G223-Y225 VanDerWaalsContact C-N 3.28Å; G223-Y225 PolarHBondContact O-N 2.95Å
224E94.7Very high96.7Very high103 Ų10354.9 Ų54.948%0.48129%0.288SS..SBendtrans-69.5-30.5179.2-170.8-169.8161.800111.9K190 L219 T222K190-E224 VanDerWaalsContact NZ-CG 3.28Å; K190-E224 PolarHBondContact NZ-O 2.94Å; K190-E224 IonicContact NZ-OE1 3.04Å; K190-E224 PolarHBondContact NZ-OE1 3.43Å; L219-E224 PolarHBondContact O-N 2.82Å; T222-E224 PolarHBondContact O-N 3.17Å; T222-E224 WeakPolarHBondContact OG1-CB 3.41Å; T222-E224 PolarHBondContact OG1-N 2.01Å
225Y97.7Very high96.8Very high26 Ų2649.1 Ų49.110%0.10226%0.261CS..SBendtrans-133.1149174.8-67.6-96.6000109.8K190 F192 L219 G223 D229 L230K190-Y225 HydrophobicContact CB-CD1 4.22Å; K190-Y225 HydrophobicContact CB-CE1 4.08Å; K190-Y225 HydrophobicContact CD-CD1 3.87Å; K190-Y225 HydrophobicContact CD-CE1 3.43Å; K190-Y225 VanDerWaalsContact CD-CE1 3.43Å; K190-Y225 HydrophobicContact CD-CE2 4.47Å; K190-Y225 VanDerWaalsContact CE-OH 3.27Å; K190-Y225 WeakPolarHBondContact CE-OH 2.94Å; K190-Y225 HydrophobicContact CG-CD1 4.15Å; K190-Y225 HydrophobicContact CG-CE1 3.57Å; F192-Y225 HydrophobicContact CB-CD1 4.06Å; F192-Y225 HydrophobicContact CB-CE1 3.62Å; F192-Y225 HydrophobicContact CD2-CE1 4.13Å; F192-Y225 AromaticContact CD2-CE2 3.98Å; F192-Y225 HydrophobicContact CD2-CE2 3.98Å; F192-Y225 AromaticContact CD2-CZ 3.69Å; F192-Y225 HydrophobicContact CG-CE1 4.28Å; L219-Y225 HydrophobicContact CB-CD2 4.21Å; L219-Y225 HydrophobicContact CD1-CD2 4.44Å; L219-Y225 HydrophobicContact CD2-CD2 3.77Å; L219-Y225 HydrophobicContact CD2-CE2 3.99Å; L219-Y225 HydrophobicContact CG-CD2 4.35Å; L219-Y225 PolarHBondContact O-N 3.03Å; G223-Y225 VanDerWaalsContact C-N 3.28Å; G223-Y225 PolarHBondContact O-N 2.95Å; Y225-D229 HydrophobicContact CD1-CB 3.94Å; Y225-L230 HydrophobicContact CG-CD2 4.49Å
226T97.7Very high96.9Very high71 Ų7145.5 Ų45.544%0.43625%0.249SC..  trans-94.5165.7170.267.60000110.8A228 D229 L230T226-A228 PolarHBondContact O-N 3.5Å; T226-A228 PolarHBondContact OG1-N 2.94Å; T226-D229 WeakPolarHBondContact CB-OD2 3.1Å; T226-D229 PolarHBondContact N-OD2 3.36Å; T226-D229 PolarHBondContact O-N 3.38Å; T226-D229 VanDerWaalsContact O-N 3.15Å; T226-D229 PolarHBondContact OG1-N 3.48Å; T226-D229 VanDerWaalsContact OG1-N 3.11Å; T226-D229 PolarHBondContact OG1-OD2 3.47Å; T226-L230 PolarHBondContact O-N 3.27Å; T226-L230 VanDerWaalsContact O-N 3.14Å
227V97.7Very high97.1Very high40 Ų4045.9 Ų45.924%0.24225%0.251CS..Hα-helixtrans-58.9-33.7171-175.70000110.6V169 L184 L220 L230 C231V169-V227 HydrophobicContact CB-CG1 3.75Å; V169-V227 HydrophobicContact CB-CG2 4.45Å; V169-V227 HydrophobicContact CG1-CG1 4.08Å; V169-V227 HydrophobicContact CG2-CG1 3.76Å; L184-V227 HydrophobicContact CD2-CB 3.95Å; L184-V227 HydrophobicContact CD2-CG1 3.52Å; L220-V227 HydrophobicContact CD1-CG2 3.99Å; L220-V227 HydrophobicContact CD2-CB 4.42Å; L220-V227 HydrophobicContact CD2-CG2 3.65Å; L220-V227 HydrophobicContact CG-CG2 4.49Å; V227-L230 PolarHBondContact O-N 3.4Å; V227-C231 WeakPolarHBondContact O-CB 3.35Å; V227-C231 PolarHBondContact O-N 3.15Å; V227-C231 PolarHBondContact O-SG 3Å; V227-C231 VanDerWaalsContact O-SG 3.36Å
228A98.4Very high97.3Very high8 Ų842.3 Ų42.37%0.06623%0.228CC..Hα-helixtrans-63.5-42.8175.800000112.7L184 Q187 T226 L230 C231 F232L184-A228 HydrophobicContact CD1-CB 4.18Å; L184-A228 HydrophobicContact CG-CB 3.9Å; L184-A228 WeakPolarHBondContact O-CB 3.37Å; Q187-A228 HydrophobicContact CB-CB 3.93Å; T226-A228 PolarHBondContact O-N 3.5Å; T226-A228 PolarHBondContact OG1-N 2.94Å; A228-L230 VanDerWaalsContact C-N 3.32Å; A228-L230 PolarHBondContact O-N 3Å; A228-C231 PolarHBondContact O-N 2.67Å; A228-F232 WeakPolarHBondContact O-CB 3.49Å; A228-F232 PolarHBondContact O-N 3.23Å
229D98.5Very high97.5Very high9 Ų935.5 Ų35.55%0.04820%0.198CC..Hα-helixtrans-62.9-39.7175.7-60.8-50.8000111.7S189 K190 Y225 T226 F232 S233S189-D229 PolarHBondContact N-OD1 3.42Å; K190-D229 HydrophobicContact CB-CB 4.35Å; K190-D229 PolarHBondContact N-OD1 2.92Å; K190-D229 WeakPolarHBondContact O-CB 3.36Å; Y225-D229 HydrophobicContact CD1-CB 3.94Å; T226-D229 WeakPolarHBondContact CB-OD2 3.1Å; T226-D229 PolarHBondContact N-OD2 3.36Å; T226-D229 PolarHBondContact O-N 3.38Å; T226-D229 VanDerWaalsContact O-N 3.15Å; T226-D229 PolarHBondContact OG1-N 3.48Å; T226-D229 VanDerWaalsContact OG1-N 3.11Å; T226-D229 PolarHBondContact OG1-OD2 3.47Å; D229-F232 PolarHBondContact O-N 2.85Å; D229-S233 WeakPolarHBondContact O-CB 3.23Å; D229-S233 PolarHBondContact O-N 2.96Å; D229-S233 PolarHBondContact O-OG 3.3Å
230L98.4Very high97.6Very high0 Ų036.1 Ų36.10%021%0.206CC..Hα-helixtrans-71.3-39.7177.7-60.6-178000112.3F165 F192 L212 A216 L219 L220 Y225 T226 V227 A228 F232 S233 L234F165-L230 HydrophobicContact CE1-CB 4.41Å; F165-L230 HydrophobicContact CZ-CB 3.67Å; F165-L230 HydrophobicContact CZ-CD1 4.42Å; F192-L230 HydrophobicContact CB-CD2 4.23Å; F192-L230 HydrophobicContact CD1-CD2 4.09Å; F192-L230 HydrophobicContact CG-CD2 4.3Å; L212-L230 HydrophobicContact CD2-CD2 4.35Å; A216-L230 HydrophobicContact CB-CD1 3.7Å; L219-L230 HydrophobicContact CD1-CD2 4.08Å; L220-L230 HydrophobicContact CD1-CD1 4.45Å; L220-L230 HydrophobicContact CD2-CD1 4.04Å; L220-L230 HydrophobicContact CG-CD1 4.12Å; Y225-L230 HydrophobicContact CG-CD2 4.49Å; T226-L230 PolarHBondContact O-N 3.27Å; T226-L230 VanDerWaalsContact O-N 3.14Å; V227-L230 PolarHBondContact O-N 3.4Å; A228-L230 VanDerWaalsContact C-N 3.32Å; A228-L230 PolarHBondContact O-N 3Å; L230-F232 VanDerWaalsContact C-N 3.34Å; L230-S233 PolarHBondContact O-N 3.26Å; L230-L234 VanDerWaalsContact O-CB 3.24Å; L230-L234 WeakPolarHBondContact O-CB 3.36Å; L230-L234 PolarHBondContact O-N 3.46Å
231C98.4Very high97.8Very high0 Ų033.5 Ų33.50%019%0.192CC..Hα-helixtrans-59.7-45.1171.8-75.50000111.5I181 A185 V227 A228 Q235I181-C231 HydrophobicContact CG2-CB 4.07Å; A185-C231 HydrophobicContact CB-CB 3.99Å; V227-C231 WeakPolarHBondContact O-CB 3.35Å; V227-C231 PolarHBondContact O-N 3.15Å; V227-C231 PolarHBondContact O-SG 3Å; V227-C231 VanDerWaalsContact O-SG 3.36Å; A228-C231 PolarHBondContact O-N 2.67Å; C231-Q235 WeakPolarHBondContact O-CG 3.25Å; C231-Q235 PolarHBondContact O-N 3.25Å
232F98.6Very high97.9Very high51 Ų5125.3 Ų25.322%0.22415%0.154CC..Hα-helixtrans-58.1-53.6174.8164.1-114.4000111.2A185 F191 A228 D229 L230 L234 Q235 E236A185-F232 HydrophobicContact CB-CB 4.4Å; F191-F232 HydrophobicContact CB-CE1 3.92Å; F191-F232 HydrophobicContact CD2-CE1 4.08Å; A228-F232 WeakPolarHBondContact O-CB 3.49Å; A228-F232 PolarHBondContact O-N 3.23Å; D229-F232 PolarHBondContact O-N 2.85Å; L230-F232 VanDerWaalsContact C-N 3.34Å; F232-L234 VanDerWaalsContact C-N 3.32Å; F232-L234 PolarHBondContact O-N 2.97Å; F232-Q235 PolarHBondContact O-N 2.76Å; F232-Q235 VanDerWaalsContact O-N 3.12Å; F232-E236 HydrophobicContact CD2-CG 3.73Å; F232-E236 HydrophobicContact CE2-CG 3.31Å; F232-E236 HydrophobicContact CZ-CG 3.8Å; F232-E236 WeakPolarHBondContact O-CG 3.17Å; F232-E236 PolarHBondContact O-N 2.7Å
233S98.6Very high98.1Very high0 Ų022 Ų220%013%0.133CC..Hα-helixtrans-61.4-40.2-177.6-54.30000112.8K190 F192 D229 L230 T237K190-S233 PolarHBondContact O-OG 2.82Å; F192-S233 PolarHBondContact N-OG 2.8Å; F192-S233 WeakPolarHBondContact O-CB 3.27Å; D229-S233 WeakPolarHBondContact O-CB 3.23Å; D229-S233 PolarHBondContact O-N 2.96Å; D229-S233 PolarHBondContact O-OG 3.3Å; L230-S233 PolarHBondContact O-N 3.26Å; S233-T237 WeakPolarHBondContact O-CB 3.3Å; S233-T237 PolarHBondContact O-N 3.25Å; S233-T237 VanDerWaalsContact O-N 3.08Å; S233-T237 PolarHBondContact O-OG1 3.49Å
234L98.5Very high98.3Very high0 Ų021.3 Ų21.30%011%0.114CC..Hα-helixtrans-60.9-46.8174.3171.459.1000111.4F162 F165 L194 L208 L212 L230 F232 A238F162-L234 HydrophobicContact CD1-CD1 4.17Å; F162-L234 HydrophobicContact CD1-CD2 3.78Å; F162-L234 HydrophobicContact CD1-CG 3.9Å; F162-L234 HydrophobicContact CE1-CD1 3.91Å; F162-L234 HydrophobicContact CE1-CD2 4.06Å; F162-L234 HydrophobicContact CE1-CG 3.64Å; F165-L234 HydrophobicContact CB-CD2 3.64Å; F165-L234 HydrophobicContact CD1-CD2 3.39Å; F165-L234 HydrophobicContact CD2-CD2 4.34Å; F165-L234 HydrophobicContact CE1-CD2 4.15Å; F165-L234 HydrophobicContact CG-CD2 3.51Å; L194-L234 HydrophobicContact CD1-CB 4.35Å; L208-L234 HydrophobicContact CD2-CD1 3.26Å; L212-L234 HydrophobicContact CD1-CB 4.09Å; L212-L234 HydrophobicContact CD1-CD1 3.9Å; L212-L234 HydrophobicContact CD1-CD2 4.28Å; L212-L234 HydrophobicContact CD1-CG 4.31Å; L230-L234 VanDerWaalsContact O-CB 3.24Å; L230-L234 WeakPolarHBondContact O-CB 3.36Å; L230-L234 PolarHBondContact O-N 3.46Å; F232-L234 VanDerWaalsContact C-N 3.32Å; F232-L234 PolarHBondContact O-N 2.97Å; L234-A238 WeakPolarHBondContact O-CB 3.37Å; L234-A238 PolarHBondContact O-N 3.39Å
235Q98.6Very high98.5Very high4 Ų416.4 Ų16.42%0.0199%0.092CC..Hα-helixtrans-62.8-53.8178.3-78.9-166.5-14.300111.7F162 I181 A185 C231 F232 T237 A238 F239 N267F162-Q235 HydrophobicContact CE2-CG 4.4Å; F162-Q235 HydrophobicContact CZ-CG 4.09Å; I181-Q235 HydrophobicContact CG2-CG 4.2Å; A185-Q235 HydrophobicContact CB-CG 4.41Å; A185-Q235 VanDerWaalsContact CB-OE1 3.29Å; C231-Q235 WeakPolarHBondContact O-CG 3.25Å; C231-Q235 PolarHBondContact O-N 3.25Å; F232-Q235 PolarHBondContact O-N 2.76Å; F232-Q235 VanDerWaalsContact O-N 3.12Å; Q235-T237 VanDerWaalsContact C-N 3.31Å; Q235-T237 PolarHBondContact O-N 2.95Å; Q235-A238 PolarHBondContact O-N 3.28Å; Q235-F239 HydrophobicContact CB-CD2 3.85Å; Q235-F239 HydrophobicContact CB-CE2 3.61Å; Q235-F239 HydrophobicContact CB-CZ 4.32Å; Q235-F239 HydrophobicContact CG-CD2 4.35Å; Q235-F239 HydrophobicContact CG-CE2 3.63Å; Q235-F239 HydrophobicContact CG-CZ 3.94Å; Q235-F239 WeakPolarHBondContact O-CB 3.43Å; Q235-F239 VanDerWaalsContact O-CD2 3.27Å; Q235-F239 WeakPolarHBondContact O-CD2 3.29Å; Q235-F239 WeakPolarHBondContact O-CG 3.17Å; Q235-F239 PolarHBondContact O-N 3.27Å; Q235-N267 PolarHBondContact NE2-ND2 2.98Å
236E98.7Very high98.6Very high32 Ų3215.2 Ų15.215%0.159%0.087CC..Hα-helixtrans-58.1-44.6-177.3-64.2-53.2120.800111.7F191 F232 A240 R269F191-E236 HydrophobicContact CD2-CB 4.45Å; F191-E236 HydrophobicContact CE2-CB 3.97Å; F232-E236 HydrophobicContact CD2-CG 3.73Å; F232-E236 HydrophobicContact CE2-CG 3.31Å; F232-E236 HydrophobicContact CZ-CG 3.8Å; F232-E236 WeakPolarHBondContact O-CG 3.17Å; F232-E236 PolarHBondContact O-N 2.7Å; E236-A240 WeakPolarHBondContact O-CB 3.19Å; E236-A240 PolarHBondContact O-N 2.9Å; E236-R269 IonicContact OE1-CZ 3.83Å; E236-R269 IonicContact OE1-NE 3.56Å; E236-R269 PolarHBondContact OE1-NE 3.42Å; E236-R269 IonicContact OE1-NH2 2.85Å; E236-R269 PolarHBondContact OE1-NH2 3.33Å; E236-R269 IonicContact OE2-CZ 3.23Å; E236-R269 IonicContact OE2-NE 3.1Å; E236-R269 IonicContact OE2-NH2 3.76Å; E236-R269 PolarHBondContact OE2-NH2 3.23Å
237T98.8Very high98.6Very high8 Ų815.4 Ų15.45%0.0498%0.083CC..Hα-helixtrans-66.3-52.5-179.9-51.60000111.1L194 Y196 L208 S233 Q235 F239 A240 M241L194-T237 HydrophobicContact CB-CG2 3.91Å; Y196-T237 HydrophobicContact CD2-CG2 4.11Å; L208-T237 HydrophobicContact CD1-CG2 3.76Å; S233-T237 WeakPolarHBondContact O-CB 3.3Å; S233-T237 PolarHBondContact O-N 3.25Å; S233-T237 VanDerWaalsContact O-N 3.08Å; S233-T237 PolarHBondContact O-OG1 3.49Å; Q235-T237 VanDerWaalsContact C-N 3.31Å; Q235-T237 PolarHBondContact O-N 2.95Å; T237-F239 PolarHBondContact O-N 3.48Å; T237-A240 PolarHBondContact O-N 3.3Å; T237-M241 HydrophobicContact CG2-SD 4.47Å; T237-M241 VanDerWaalsContact O-CG 3.3Å; T237-M241 WeakPolarHBondContact O-CG 3.1Å; T237-M241 PolarHBondContact O-N 2.96Å
238A98.7Very high98.6Very high0 Ų018.5 Ų18.50%09%0.09CC..Hα-helixtrans-71.6-33.3-173.500000112.6L158 F162 F205 L208 L234 Q235 V242L158-A238 HydrophobicContact CD1-CB 3.57Å; F162-A238 HydrophobicContact CE1-CB 4.13Å; F162-A238 HydrophobicContact CZ-CB 4.47Å; F205-A238 HydrophobicContact CD1-CB 4.39Å; F205-A238 HydrophobicContact CE1-CB 4.11Å; L208-A238 HydrophobicContact CD1-CB 4.42Å; L234-A238 WeakPolarHBondContact O-CB 3.37Å; L234-A238 PolarHBondContact O-N 3.39Å; Q235-A238 PolarHBondContact O-N 3.28Å; A238-V242 PolarHBondContact O-N 2.87Å
239F98.8Very high98.6Very high0 Ų018.1 Ų18.10%09%0.087CC..Hα-helixtrans-71.2-41.1175.1-64.5-23000112L158 F162 Q235 T237 M241 V242 V243 V264 N267 R269 L270 M273L158-F239 HydrophobicContact CD2-CD1 4.16Å; L158-F239 HydrophobicContact CD2-CE1 4.17Å; F162-F239 AromaticContact CE2-CE1 3.5Å; F162-F239 HydrophobicContact CE2-CE1 3.5Å; F162-F239 VanDerWaalsContact CE2-CE1 3.5Å; F162-F239 AromaticContact CE2-CZ 3.54Å; F162-F239 HydrophobicContact CE2-CZ 3.54Å; F162-F239 HydrophobicContact CZ-CD1 4.18Å; F162-F239 AromaticContact CZ-CE1 3.42Å; F162-F239 HydrophobicContact CZ-CE1 3.42Å; F162-F239 VanDerWaalsContact CZ-CE1 3.42Å; F162-F239 AromaticContact CZ-CZ 3.68Å; F162-F239 HydrophobicContact CZ-CZ 3.68Å; Q235-F239 HydrophobicContact CB-CD2 3.85Å; Q235-F239 HydrophobicContact CB-CE2 3.61Å; Q235-F239 HydrophobicContact CB-CZ 4.32Å; Q235-F239 HydrophobicContact CG-CD2 4.35Å; Q235-F239 HydrophobicContact CG-CE2 3.63Å; Q235-F239 HydrophobicContact CG-CZ 3.94Å; Q235-F239 WeakPolarHBondContact O-CB 3.43Å; Q235-F239 VanDerWaalsContact O-CD2 3.27Å; Q235-F239 WeakPolarHBondContact O-CD2 3.29Å; Q235-F239 WeakPolarHBondContact O-CG 3.17Å; Q235-F239 PolarHBondContact O-N 3.27Å; T237-F239 PolarHBondContact O-N 3.48Å; F239-M241 VanDerWaalsContact C-N 3.25Å; F239-M241 PolarHBondContact O-N 3.46Å; F239-V242 VanDerWaalsContact O-CG2 3.25Å; F239-V242 WeakPolarHBondContact O-CG2 3.34Å; F239-V242 PolarHBondContact O-N 3.11Å; F239-V242 VanDerWaalsContact O-N 3.16Å; F239-V243 VanDerWaalsContact O-CG2 3.29Å; F239-V243 WeakPolarHBondContact O-CG2 3.03Å; F239-V243 PolarHBondContact O-N 3.3Å; F239-V264 HydrophobicContact CE1-CG1 4.15Å; F239-N267 WeakPolarHBondContact CE2-OD1 3.49Å; F239-N267 HydrophobicContact CZ-CB 4.21Å; F239-R269 HydrophobicContact CD2-CB 4.48Å; F239-R269 HydrophobicContact CD2-CG 4.15Å; F239-R269 HydrophobicContact CE2-CB 4.14Å; F239-R269 HydrophobicContact CE2-CG 4.22Å; F239-L270 HydrophobicContact CB-CD1 4.09Å; F239-L270 HydrophobicContact CD1-CB 4.02Å; F239-L270 HydrophobicContact CD1-CD1 3.87Å; F239-L270 HydrophobicContact CD1-CD2 4.45Å; F239-L270 HydrophobicContact CD1-CG 4.32Å; F239-L270 HydrophobicContact CD2-CB 4.07Å; F239-L270 HydrophobicContact CE1-CB 3.95Å; F239-L270 HydrophobicContact CE1-CD2 4.34Å; F239-L270 HydrophobicContact CE1-CG 4.49Å; F239-L270 HydrophobicContact CE2-CB 4.01Å; F239-L270 HydrophobicContact CG-CB 4.08Å; F239-L270 HydrophobicContact CG-CD1 4.02Å; F239-L270 HydrophobicContact CZ-CB 3.94Å; F239-M273 HydrophobicContact CB-CE 3.78Å; F239-M273 HydrophobicContact CB-SD 3.49Å; F239-M273 WeakPolarHBondContact CB-SD 3.11Å; F239-M273 HydrophobicContact CD2-SD 4Å; F239-M273 HydrophobicContact CG-SD 4.27Å
240A98.8Very high98.6Very high32 Ų3217.7 Ų17.726%0.2649%0.085SC..Hα-helixtrans-57.2-41.9173.500000111.4Y196 E236 T237 V242 V243 E244 M273Y196-A240 HydrophobicContact CE2-CB 3.86Å; Y196-A240 VanDerWaalsContact OH-C 3.32Å; Y196-A240 PolarHBondContact OH-O 3.29Å; E236-A240 WeakPolarHBondContact O-CB 3.19Å; E236-A240 PolarHBondContact O-N 2.9Å; T237-A240 PolarHBondContact O-N 3.3Å; A240-V242 PolarHBondContact O-N 3.26Å; A240-V243 PolarHBondContact O-N 3.42Å; A240-E244 WeakPolarHBondContact O-CB 3.21Å; A240-E244 PolarHBondContact O-N 2.79Å; A240-M273 HydrophobicContact CB-CE 4.04Å
241M98.8Very high98.5Very high0 Ų020.3 Ų20.30%011%0.106CC..Hα-helixtrans-58.8-45.6175.5-66.7170.455.700112.9Y196 A197 V198 V203 F205 L208 T237 F239 I245Y196-M241 HydrophobicContact CD1-CG 4.22Å; Y196-M241 HydrophobicContact CD2-CG 3.71Å; Y196-M241 HydrophobicContact CE1-CG 4.01Å; Y196-M241 HydrophobicContact CE2-CB 4.4Å; Y196-M241 HydrophobicContact CE2-CG 3.47Å; Y196-M241 VanDerWaalsContact CE2-CG 3.47Å; Y196-M241 HydrophobicContact CG-CG 4.09Å; Y196-M241 WeakPolarHBondContact OH-CA 3.39Å; Y196-M241 PolarHBondContact OH-N 3.39Å; A197-M241 HydrophobicContact CB-CE 4.21Å; A197-M241 WeakPolarHBondContact O-CE 3.29Å; V198-M241 HydrophobicContact CG2-CB 3.87Å; V198-M241 HydrophobicContact CG2-CG 3.96Å; V203-M241 HydrophobicContact CB-CE 4.11Å; V203-M241 HydrophobicContact CG1-CB 4.17Å; V203-M241 HydrophobicContact CG1-CE 4.03Å; F205-M241 HydrophobicContact CD1-CE 4.14Å; F205-M241 HydrophobicContact CE1-CE 3.89Å; F205-M241 HydrophobicContact CE1-SD 4.35Å; L208-M241 HydrophobicContact CD1-SD 4.12Å; T237-M241 HydrophobicContact CG2-SD 4.47Å; T237-M241 VanDerWaalsContact O-CG 3.3Å; T237-M241 WeakPolarHBondContact O-CG 3.1Å; T237-M241 PolarHBondContact O-N 2.96Å; F239-M241 VanDerWaalsContact C-N 3.25Å; F239-M241 PolarHBondContact O-N 3.46Å; M241-I245 PolarHBondContact O-N 3.48Å
242V98.7Very high98.4Very high0 Ų026.5 Ų26.50%014%0.135CC..Hα-helixtrans-74.4-31179.5-63.70000112.9L130 T137 L158 F205 A238 F239 A240 I245 T246 L270L130-V242 HydrophobicContact CD1-CB 4.15Å; L130-V242 HydrophobicContact CD2-CB 4.3Å; L130-V242 HydrophobicContact CD2-CG2 4.18Å; T137-V242 HydrophobicContact CG2-CG1 4.2Å; L158-V242 HydrophobicContact CD2-CG1 4.03Å; L158-V242 HydrophobicContact CD2-CG2 4.28Å; F205-V242 HydrophobicContact CZ-CG1 3.86Å; A238-V242 PolarHBondContact O-N 2.87Å; F239-V242 VanDerWaalsContact O-CG2 3.25Å; F239-V242 WeakPolarHBondContact O-CG2 3.34Å; F239-V242 PolarHBondContact O-N 3.11Å; F239-V242 VanDerWaalsContact O-N 3.16Å; A240-V242 PolarHBondContact O-N 3.26Å; V242-I245 WeakPolarHBondContact O-CG1 3.5Å; V242-T246 VanDerWaalsContact O-CB 3.31Å; V242-T246 WeakPolarHBondContact O-CB 3.29Å; V242-T246 PolarHBondContact O-N 2.87Å; V242-T246 VanDerWaalsContact O-N 3.11Å; V242-T246 PolarHBondContact O-OG1 3.16Å; V242-L270 HydrophobicContact CG2-CD1 3.72Å
243V98.8Very high98.3Very high17 Ų1726 Ų2610%0.10314%0.138CC..Hα-helixtrans-62.7-46.2171.9170.80000110.1F239 A240 T246 E247 M273 M274 M277F239-V243 VanDerWaalsContact O-CG2 3.29Å; F239-V243 WeakPolarHBondContact O-CG2 3.03Å; F239-V243 PolarHBondContact O-N 3.3Å; A240-V243 PolarHBondContact O-N 3.42Å; V243-T246 WeakPolarHBondContact O-CB 3.26Å; V243-T246 PolarHBondContact O-N 3.42Å; V243-E247 PolarHBondContact O-N 3.15Å; V243-M273 HydrophobicContact CG2-CB 4.06Å; V243-M274 HydrophobicContact CB-CE 4.46Å; V243-M274 HydrophobicContact CG2-CB 4.48Å; V243-M274 HydrophobicContact CG2-CE 3.87Å; V243-M274 HydrophobicContact CG2-SD 4.16Å; V243-M277 HydrophobicContact CG1-CB 3.64Å; V243-M277 HydrophobicContact CG1-CG 3.89Å
244E98.8Very high98.1Very high46 Ų4629.3 Ų29.322%0.21517%0.171CC..Hα-helixtrans-60.7-49.3179.9-178-17716000112.7Y196 A240 T246 E247 R248Y196-E244 WeakPolarHBondContact CE1-OE2 3.39Å; Y196-E244 VanDerWaalsContact CZ-OE2 3.23Å; Y196-E244 PolarHBondContact OH-OE2 2.94Å; A240-E244 WeakPolarHBondContact O-CB 3.21Å; A240-E244 PolarHBondContact O-N 2.79Å; E244-T246 PolarHBondContact O-N 3.5Å; E244-E247 PolarHBondContact O-N 3.12Å; E244-R248 VanDerWaalsContact O-CG 3.31Å; E244-R248 WeakPolarHBondContact O-CG 3.23Å; E244-R248 PolarHBondContact O-N 2.77Å; E244-R248 IonicContact OE1-CZ 3.49Å; E244-R248 IonicContact OE1-NE 2.58Å; E244-R248 PolarHBondContact OE1-NE 2.97Å; E244-R248 IonicContact OE1-NH2 3.08Å; E244-R248 PolarHBondContact OE1-NH2 3.29Å
245I98.7Very high97.8Very high1 Ų131 Ų311%0.00518%0.182CC..Hα-helixtrans-67.2-29.2179.163.9172.9000112.2I139 V198 M201 V203 M241 V242 A249I139-I245 HydrophobicContact CD1-CD1 3.88Å; I139-I245 HydrophobicContact CD1-CG1 3.87Å; I139-I245 HydrophobicContact CG1-CB 4.34Å; I139-I245 HydrophobicContact CG1-CD1 3.57Å; I139-I245 HydrophobicContact CG1-CG1 3.73Å; V198-I245 HydrophobicContact CG1-CG2 3.7Å; V198-I245 HydrophobicContact CG2-CG2 4.35Å; M201-I245 WeakPolarHBondContact O-CB 3.46Å; M201-I245 WeakPolarHBondContact O-CG2 3.21Å; V203-I245 HydrophobicContact CG1-CD1 3.77Å; V203-I245 HydrophobicContact CG1-CG1 4.44Å; V203-I245 HydrophobicContact CG1-CG2 3.84Å; V203-I245 HydrophobicContact CG2-CD1 3.99Å; M241-I245 PolarHBondContact O-N 3.48Å; V242-I245 WeakPolarHBondContact O-CG1 3.5Å; I245-A249 PolarHBondContact O-N 2.92Å; I245-A249 VanDerWaalsContact O-N 3.13Å
246T98.6Very high97.7Very high0 Ų036 Ų360%021%0.208CC..Hα-helixtrans-68.4-46.7175.4-57.60000109.8I128 I139 V242 V243 E244 R248 A249 M250 V258 M274 M277I128-T246 HydrophobicContact CG2-CG2 3.97Å; I139-T246 VanDerWaalsContact CD1-OG1 3.23Å; I139-T246 WeakPolarHBondContact CD1-OG1 3.44Å; V242-T246 VanDerWaalsContact O-CB 3.31Å; V242-T246 WeakPolarHBondContact O-CB 3.29Å; V242-T246 PolarHBondContact O-N 2.87Å; V242-T246 VanDerWaalsContact O-N 3.11Å; V242-T246 PolarHBondContact O-OG1 3.16Å; V243-T246 WeakPolarHBondContact O-CB 3.26Å; V243-T246 PolarHBondContact O-N 3.42Å; E244-T246 PolarHBondContact O-N 3.5Å; T246-R248 VanDerWaalsContact C-N 3.34Å; T246-R248 PolarHBondContact O-N 2.98Å; T246-A249 PolarHBondContact O-N 3.2Å; T246-M250 HydrophobicContact CG2-SD 4.43Å; T246-M250 WeakPolarHBondContact O-CG 3.32Å; T246-M250 PolarHBondContact O-N 2.93Å; T246-V258 HydrophobicContact CG2-CG2 3.57Å; T246-M274 HydrophobicContact CG2-CE 4.01Å; T246-M274 HydrophobicContact CG2-SD 3.79Å; T246-M277 HydrophobicContact CG2-CE 4.33Å
247E98.6Very high97.7Very high76 Ų7635.9 Ų35.936%0.35521%0.208SC..Hα-helixtrans-60.5-42.6176.1-172.8-179.9-159.800111.8V243 E244 A249 M250 A251 M277 R281V243-E247 PolarHBondContact O-N 3.15Å; E244-E247 PolarHBondContact O-N 3.12Å; E247-A249 VanDerWaalsContact C-N 3.32Å; E247-A249 PolarHBondContact O-N 3.06Å; E247-M250 PolarHBondContact O-N 3.4Å; E247-A251 WeakPolarHBondContact O-CB 3.4Å; E247-A251 PolarHBondContact O-N 2.84Å; E247-M277 HydrophobicContact CB-CE 4.28Å; E247-M277 HydrophobicContact CB-CG 3.95Å; E247-M277 HydrophobicContact CB-SD 3.78Å; E247-M277 HydrophobicContact CG-CG 4.04Å; E247-M277 HydrophobicContact CG-SD 3.82Å; E247-R281 IonicContact OE1-NH1 3.6Å
248R98.4Very high97.6Very high105 Ų10535.5 Ų35.540%0.39621%0.206SC..Hα-helixtrans-57.6-44.1175.1-73174.1-178.4-150.7-4.8111.8G200 M201 E244 T246 A251 H252G200-R248 WeakPolarHBondContact O-CD 3.47Å; G200-R248 PolarHBondContact O-NH1 3.28Å; M201-R248 HydrophobicContact CG-CB 4.36Å; E244-R248 VanDerWaalsContact O-CG 3.31Å; E244-R248 WeakPolarHBondContact O-CG 3.23Å; E244-R248 PolarHBondContact O-N 2.77Å; E244-R248 IonicContact OE1-CZ 3.49Å; E244-R248 IonicContact OE1-NE 2.58Å; E244-R248 PolarHBondContact OE1-NE 2.97Å; E244-R248 IonicContact OE1-NH2 3.08Å; E244-R248 PolarHBondContact OE1-NH2 3.29Å; T246-R248 VanDerWaalsContact C-N 3.34Å; T246-R248 PolarHBondContact O-N 2.98Å; R248-A251 PolarHBondContact O-N 3.45Å; R248-H252 WeakPolarHBondContact O-CB 3.35Å; R248-H252 PolarHBondContact O-N 3.29Å
249A97.9Very high97.6Very high0 Ų035.5 Ų35.50%021%0.206CC..Hα-helixtrans-68.2-39.9177.200000112.3I128 I139 F150 M201 I245 T246 E247 A251 H252 C253I128-A249 HydrophobicContact CD1-CB 4.24Å; I128-A249 HydrophobicContact CG1-CB 4.32Å; I128-A249 HydrophobicContact CG2-CB 4.26Å; I139-A249 HydrophobicContact CG2-CB 3.37Å; F150-A249 HydrophobicContact CB-CB 4.4Å; M201-A249 HydrophobicContact SD-CB 4.34Å; I245-A249 PolarHBondContact O-N 2.92Å; I245-A249 VanDerWaalsContact O-N 3.13Å; T246-A249 PolarHBondContact O-N 3.2Å; E247-A249 VanDerWaalsContact C-N 3.32Å; E247-A249 PolarHBondContact O-N 3.06Å; A249-A251 VanDerWaalsContact C-N 3.28Å; A249-A251 PolarHBondContact O-N 3.32Å; A249-H252 PolarHBondContact O-N 2.92Å; A249-C253 WeakPolarHBondContact O-CB 3.5Å; A249-C253 PolarHBondContact O-N 3.18Å
250M97.6Very high97.6Very high0 Ų035.5 Ų35.50%021%0.206CC..Hα-helixtrans-60-41.8174.1-70.217977.700111.2I128 T246 E247 G254 V255 V258 M277 A283I128-M250 HydrophobicContact CB-CG 3.87Å; I128-M250 HydrophobicContact CG1-CB 4.2Å; I128-M250 HydrophobicContact CG1-CG 3.48Å; I128-M250 VanDerWaalsContact CG1-CG 3.48Å; I128-M250 HydrophobicContact CG2-CG 4.45Å; T246-M250 HydrophobicContact CG2-SD 4.43Å; T246-M250 WeakPolarHBondContact O-CG 3.32Å; T246-M250 PolarHBondContact O-N 2.93Å; E247-M250 PolarHBondContact O-N 3.4Å; M250-G254 PolarHBondContact O-N 2.94Å; M250-V255 HydrophobicContact CG-CG2 4.44Å; M250-V255 PolarHBondContact O-N 2.8Å; M250-V258 HydrophobicContact CE-CB 4.24Å; M250-V258 HydrophobicContact SD-CB 3.95Å; M250-V258 HydrophobicContact SD-CG1 4.47Å; M250-M277 HydrophobicContact SD-CE 3.78Å; M250-M277 HydrophobicContact SD-SD 4.09Å; M250-A283 HydrophobicContact CE-CB 3.53Å
251A97.3Very high97.5Very high54 Ų5434 Ų3445%0.44619%0.193SC..Hα-helixtrans-65.9-39.7176.500000113E247 R248 A249E247-A251 WeakPolarHBondContact O-CB 3.4Å; E247-A251 PolarHBondContact O-N 2.84Å; R248-A251 PolarHBondContact O-N 3.45Å; A249-A251 VanDerWaalsContact C-N 3.28Å; A249-A251 PolarHBondContact O-N 3.32Å
252H97Very high97.3Very high130 Ų13034 Ų3460%0.60219%0.193SC*.Hα-helixtrans-68.1-42.2178.2-177.475.6000112.7F150 R248 A249F150-H252 AromaticContact CD1-CD2 4Å; F150-H252 AromaticContact CE1-CD2 3.57Å; R248-H252 WeakPolarHBondContact O-CB 3.35Å; R248-H252 PolarHBondContact O-N 3.29Å; A249-H252 PolarHBondContact O-N 2.92Å
253C94.7Very high97.1Very high42 Ų4235.3 Ų35.328%0.28421%0.207SC..Hα-helixtrans-85.8-14-177.4-65.50000113.7I128 F150 A249 V255I128-C253 HydrophobicContact CD1-CB 4.02Å; F150-C253 VanDerWaalsContact CE1-SG 3.58Å; F150-C253 VanDerWaalsContact CZ-SG 3.51Å; A249-C253 WeakPolarHBondContact O-CB 3.5Å; A249-C253 PolarHBondContact O-N 3.18Å; C253-V255 HydrophobicContact CB-CG1 4.27Å; C253-V255 HydrophobicContact CB-CG2 4.03Å
254G94.5Very high96.9Very high69 Ų6935.2 Ų35.271%0.71121%0.206SC*.THydrogen-bonded Turntrans6735.3-178.600000113.5M250M250-G254 PolarHBondContact O-N 2.94Å
255V93.7Very high96.7Very high35 Ų3533 Ų3321%0.21220%0.196CC..  trans-107.6149.8-178-67.60000112.1I128 M250 C253I128-V255 HydrophobicContact CB-CG2 4.45Å; I128-V255 HydrophobicContact CD1-CG2 3.68Å; I128-V255 HydrophobicContact CG1-CG2 3.42Å; I128-V255 VanDerWaalsContact CG1-CG2 3.42Å; M250-V255 HydrophobicContact CG-CG2 4.44Å; M250-V255 PolarHBondContact O-N 2.8Å; C253-V255 HydrophobicContact CB-CG1 4.27Å; C253-V255 HydrophobicContact CB-CG2 4.03Å
256D95.9Very high96.4Very high108 Ų10834 Ų3458%0.57820%0.202SC*.  trans-113.99.8-173.761.7-11.4000113.1A283 K284D256-A283 HydrophobicContact CB-CB 4.45Å; D256-A283 CarbonylContact O-C 3.53Å; D256-A283 WeakPolarHBondContact O-CA 3.44Å; D256-A283 WeakPolarHBondContact O-CB 3.04Å; D256-K284 PolarHBondContact O-N 2.99Å
257E98Very high96.2Very high31 Ų3134.3 Ų34.315%0.14520%0.204CC..EExtended strand (participates in β ladder)trans-120.4137.5173.4-60.1-172.414600110.1K125 S126 P127 I128 K284 F286K125-E257 PolarHBondContact N-OE2 2.94Å; S126-E257 PolarHBondContact N-OE2 3.23Å; P127-E257 CarbonylContact C-O 3.59Å; P127-E257 VanDerWaalsContact CA-O 3.23Å; P127-E257 WeakPolarHBondContact CA-O 3.38Å; P127-E257 HydrophobicContact CB-CB 3.85Å; I128-E257 PolarHBondContact N-O 3.39Å; E257-K284 WeakPolarHBondContact CA-O 3.31Å; E257-F286 HydrophobicContact CB-CD2 4.35Å; E257-F286 HydrophobicContact CB-CE2 3.98Å; E257-F286 HydrophobicContact CG-CE2 3.8Å
258V98.3Very high96.1Very high0 Ų033.3 Ų33.30%020%0.203CC..EExtended strand (participates in β ladder)trans-124.2134168.660.20000109.9I128 T246 M250 M274 A278 K284 L285 F286I128-V258 CarbonylContact O-C 3.57Å; I128-V258 VanDerWaalsContact O-CA 3.3Å; I128-V258 WeakPolarHBondContact O-CA 3.48Å; T246-V258 HydrophobicContact CG2-CG2 3.57Å; M250-V258 HydrophobicContact CE-CB 4.24Å; M250-V258 HydrophobicContact SD-CB 3.95Å; M250-V258 HydrophobicContact SD-CG1 4.47Å; V258-M274 HydrophobicContact CG1-CG 4.13Å; V258-M274 HydrophobicContact CG2-CG 4.22Å; V258-M274 HydrophobicContact CG2-SD 4.22Å; V258-A278 HydrophobicContact CG1-CB 4.15Å; V258-K284 PolarHBondContact N-O 3.46Å; V258-L285 HydrophobicContact CG1-CB 4.09Å; V258-L285 HydrophobicContact CG1-CD1 3.78Å; V258-L285 CarbonylContact O-C 3.49Å; V258-F286 PolarHBondContact O-N 2.83Å
259L98.4Very high96.1Very high0 Ų032.1 Ų32.10%020%0.198CC..EExtended strand (participates in β ladder)trans-120120.9178.817263.1000109.6R119 T122 A124 P127 I128 I129 L130 V261 F286R119-L259 HydrophobicContact CG-CD2 3.94Å; T122-L259 HydrophobicContact CG2-CD1 4.13Å; A124-L259 HydrophobicContact CB-CD2 4.47Å; P127-L259 HydrophobicContact CB-CB 3.67Å; P127-L259 HydrophobicContact CG-CB 3.61Å; P127-L259 HydrophobicContact CG-CD2 4.09Å; I128-L259 PolarHBondContact O-N 2.81Å; I129-L259 CarbonylContact C-O 3.57Å; I129-L259 VanDerWaalsContact CA-O 3.28Å; I129-L259 WeakPolarHBondContact CA-O 3.49Å; I129-L259 HydrophobicContact CG1-CB 4.43Å; I129-L259 HydrophobicContact CG1-CD2 4.29Å; L130-L259 PolarHBondContact N-O 2.99Å; L259-V261 HydrophobicContact CD1-CG1 4.08Å; L259-V261 HydrophobicContact CD2-CG1 4.09Å; L259-V261 HydrophobicContact CG-CG1 3.85Å; L259-F286 CarbonylContact C-O 3.39Å; L259-F286 VanDerWaalsContact CA-O 3.32Å; L259-F286 WeakPolarHBondContact CA-O 3.32Å; L259-F286 HydrophobicContact CD1-CB 3.89Å
260I97.9Very high96.1Very high0 Ų032.1 Ų32.10%020%0.198CC..EExtended strand (participates in β ladder)trans-96.9126.7173.7-49.8173.6000109.4L130 V132 G265 L270 Q271 M274 L285 F286L130-I260 HydrophobicContact CD2-CG1 4.46Å; L130-I260 HydrophobicContact CD2-CG2 4.28Å; L130-I260 WeakPolarHBondContact O-CA 3.34Å; V132-I260 HydrophobicContact CG2-CG2 4.22Å; I260-G265 VanDerWaalsContact CG2-CA 3.45Å; I260-L270 HydrophobicContact CD1-CG 4.44Å; I260-L270 HydrophobicContact CG2-CD2 4.35Å; I260-Q271 HydrophobicContact CD1-CG 4.3Å; I260-M274 HydrophobicContact CD1-CB 3.78Å; I260-M274 HydrophobicContact CD1-CG 3.88Å; I260-M274 HydrophobicContact CG1-CG 4.33Å; I260-L285 HydrophobicContact CD1-CD1 3.58Å; I260-L285 HydrophobicContact CD1-CD2 4.48Å; I260-L285 HydrophobicContact CG1-CD1 3.67Å; I260-F286 PolarHBondContact N-O 3Å
261V97.1Very high96.1Very high1 Ų134.4 Ų34.41%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-133.9166.1177.2-63.80000111.7H114 I115 I129 L130 Y131 V132 L259H114-V261 HydrophobicContact CB-CB 4.15Å; H114-V261 HydrophobicContact CB-CG2 4.12Å; H114-V261 WeakPolarHBondContact O-CG1 3.35Å; I115-V261 HydrophobicContact CG1-CG2 4.4Å; I129-V261 HydrophobicContact CG2-CG2 3.51Å; L130-V261 PolarHBondContact O-N 3.4Å; Y131-V261 HydrophobicContact CD2-CG2 3.85Å; Y131-V261 HydrophobicContact CG-CG2 4.22Å; V132-V261 PolarHBondContact N-O 3.44Å; L259-V261 HydrophobicContact CD1-CG1 4.08Å; L259-V261 HydrophobicContact CD2-CG1 4.09Å; L259-V261 HydrophobicContact CG-CG1 3.85Å
262G95.1Very high96.2Very high0 Ų036.8 Ų36.80%021%0.211CC..SBendtrans88166-17600000113.3V132 V264 G265 C293V132-G262 CarbonylContact O-C 3.58Å; V132-G262 WeakPolarHBondContact O-CA 3.44Å; G262-V264 VanDerWaalsContact C-N 3.29Å; G262-V264 PolarHBondContact O-N 2.95Å; G262-G265 VanDerWaalsContact O-CA 3.3Å; G262-G265 WeakPolarHBondContact O-CA 3.47Å; G262-G265 PolarHBondContact O-N 3.43Å; G262-C293 CarbonylContact C-O 3.59Å; G262-C293 WeakPolarHBondContact CA-O 3.28Å
263G93.2Very high96.3Very high27 Ų2732 Ų3228%0.27819%0.189SC..G310 helixtrans-65.9-25.3-167.900000115.4V132 G265 C266 C293V132-G263 PolarHBondContact O-N 3.35Å; G263-G265 VanDerWaalsContact C-N 3.27Å; G263-C266 PolarHBondContact O-SG 2.86Å; G263-C293 WeakPolarHBondContact CA-O 3.42Å; G263-C293 PolarHBondContact N-O 3.22Å; G263-C293 VanDerWaalsContact N-O 3.1Å
264V95.6Very high96.4Very high15 Ų1530 Ų309%0.09118%0.176CC..G310 helixtrans-75.9-23.6172.3-177.90000110.4V132 L158 G159 F162 F239 G262 C266 N267 L270V132-V264 HydrophobicContact CB-CB 3.86Å; V132-V264 HydrophobicContact CB-CG1 4.33Å; V132-V264 HydrophobicContact CG2-CB 3.78Å; V132-V264 HydrophobicContact CG2-CG1 4.16Å; V132-V264 WeakPolarHBondContact O-CB 3.3Å; V132-V264 PolarHBondContact O-N 3.31Å; L158-V264 HydrophobicContact CD2-CG1 3.97Å; L158-V264 HydrophobicContact CG-CG1 4.24Å; G159-V264 VanDerWaalsContact CA-CG2 3.48Å; F162-V264 HydrophobicContact CE2-CG1 4.33Å; F239-V264 HydrophobicContact CE1-CG1 4.15Å; G262-V264 VanDerWaalsContact C-N 3.29Å; G262-V264 PolarHBondContact O-N 2.95Å; V264-C266 PolarHBondContact O-N 2.97Å; V264-C266 VanDerWaalsContact O-N 3.16Å; V264-N267 WeakPolarHBondContact O-CB 3.39Å; V264-N267 PolarHBondContact O-N 3.03Å; V264-L270 HydrophobicContact CG1-CD2 4.25Å
265G94.4Very high96.6Very high0 Ų029.4 Ų29.40%016%0.156CC..G310 helixtrans-63.7-15.117500000114.5I260 G262 G263 N267 Q271I260-G265 VanDerWaalsContact CG2-CA 3.45Å; G262-G265 VanDerWaalsContact O-CA 3.3Å; G262-G265 WeakPolarHBondContact O-CA 3.47Å; G262-G265 PolarHBondContact O-N 3.43Å; G263-G265 VanDerWaalsContact C-N 3.27Å; G265-N267 PolarHBondContact O-N 2.98Å; G265-Q271 PolarHBondContact O-NE2 3.41Å
266C91.4Very high96.9Very high20 Ų2030.7 Ų30.714%0.13517%0.166CC..G310 helixtrans-71.6-15.7172.1-41.90000113G263 V264 V268 C293 I294G263-C266 PolarHBondContact O-SG 2.86Å; V264-C266 PolarHBondContact O-N 2.97Å; V264-C266 VanDerWaalsContact O-N 3.16Å; C266-V268 PolarHBondContact O-N 2.74Å; C266-C293 HydrophobicContact CB-CB 4.22Å; C266-C293 WeakPolarHBondContact CB-SG 3.4Å; C266-C293 WeakPolarHBondContact SG-CB 3.35Å; C266-C293 CovalentContact SG-SG 2.01Å; C266-C293 PolarHBondContact SG-SG 3.46Å; C266-I294 VanDerWaalsContact SG-CD1 3.54Å
267N96.1Very high97Very high7 Ų726 Ų264%0.03714%0.141CC..  trans-70.5119.2-174.8-177-67.3000110.9E182 Q235 F239 V264 G265 R269 L270 Q271E182-N267 WeakPolarHBondContact CB-ND2 3.39Å; E182-N267 WeakPolarHBondContact CG-ND2 3.31Å; E182-N267 WeakPolarHBondContact OE2-CA 3.34Å; E182-N267 PolarHBondContact OE2-ND2 2.9Å; Q235-N267 PolarHBondContact NE2-ND2 2.98Å; F239-N267 WeakPolarHBondContact CE2-OD1 3.49Å; F239-N267 HydrophobicContact CZ-CB 4.21Å; V264-N267 WeakPolarHBondContact O-CB 3.39Å; V264-N267 PolarHBondContact O-N 3.03Å; G265-N267 PolarHBondContact O-N 2.98Å; N267-R269 VanDerWaalsContact C-N 3.28Å; N267-R269 PolarHBondContact O-N 3.33Å; N267-R269 WeakPolarHBondContact OD1-CA 3.39Å; N267-R269 WeakPolarHBondContact OD1-CB 3.19Å; N267-R269 PolarHBondContact OD1-N 2.74Å; N267-L270 HydrophobicContact CB-CB 4.21Å; N267-L270 PolarHBondContact O-N 3.1Å; N267-L270 PolarHBondContact OD1-N 3.38Å; N267-Q271 WeakPolarHBondContact O-CG 3.27Å; N267-Q271 PolarHBondContact O-N 3.45Å; N267-Q271 VanDerWaalsContact O-N 3.15Å
268V96Very high97Very high56 Ų5624.6 Ų24.634%0.33913%0.134SC..Hα-helixtrans-69.3-28.3-173.8-56.20000112.6E182 C266 Q271 E272E182-V268 WeakPolarHBondContact OE1-CG2 3.43Å; E182-V268 PolarHBondContact OE1-N 3.3Å; C266-V268 PolarHBondContact O-N 2.74Å; V268-Q271 PolarHBondContact O-N 2.96Å; V268-E272 VanDerWaalsContact O-CG 3.28Å; V268-E272 WeakPolarHBondContact O-CG 2.84Å; V268-E272 PolarHBondContact O-N 3.37Å
269R98.1Very high97Very high80 Ų8030.7 Ų30.730%0.30216%0.163SC..Hα-helixtrans-67.7-41.2177.3-179.158.3-178.6158.76.1111.5E236 F239 N267 Q271 E272 M273E236-R269 IonicContact OE1-CZ 3.83Å; E236-R269 IonicContact OE1-NE 3.56Å; E236-R269 PolarHBondContact OE1-NE 3.42Å; E236-R269 IonicContact OE1-NH2 2.85Å; E236-R269 PolarHBondContact OE1-NH2 3.33Å; E236-R269 IonicContact OE2-CZ 3.23Å; E236-R269 IonicContact OE2-NE 3.1Å; E236-R269 IonicContact OE2-NH2 3.76Å; E236-R269 PolarHBondContact OE2-NH2 3.23Å; F239-R269 HydrophobicContact CD2-CB 4.48Å; F239-R269 HydrophobicContact CD2-CG 4.15Å; F239-R269 HydrophobicContact CE2-CB 4.14Å; F239-R269 HydrophobicContact CE2-CG 4.22Å; N267-R269 VanDerWaalsContact C-N 3.28Å; N267-R269 PolarHBondContact O-N 3.33Å; N267-R269 WeakPolarHBondContact OD1-CA 3.39Å; N267-R269 WeakPolarHBondContact OD1-CB 3.19Å; N267-R269 PolarHBondContact OD1-N 2.74Å; R269-Q271 VanDerWaalsContact C-N 3.33Å; R269-E272 WeakPolarHBondContact CD-OE2 3.39Å; R269-E272 IonicContact NH1-OE2 3.99Å; R269-E272 PolarHBondContact NH1-OE2 3.12Å; R269-E272 PolarHBondContact O-N 2.84Å; R269-M273 HydrophobicContact CG-SD 4.29Å; R269-M273 WeakPolarHBondContact O-CG 3.13Å; R269-M273 PolarHBondContact O-N 3.47Å
270L98.1Very high97Very high0 Ų038.4 Ų38.40%020%0.199CC..Hα-helixtrans-60.8-44.2171.5173.360.8000111.2L130 V132 F239 V242 I260 V264 N267 M273 M274L130-L270 HydrophobicContact CD2-CD1 4.35Å; L130-L270 HydrophobicContact CD2-CD2 4.35Å; V132-L270 HydrophobicContact CG2-CD2 3.96Å; F239-L270 HydrophobicContact CB-CD1 4.09Å; F239-L270 HydrophobicContact CD1-CB 4.02Å; F239-L270 HydrophobicContact CD1-CD1 3.87Å; F239-L270 HydrophobicContact CD1-CD2 4.45Å; F239-L270 HydrophobicContact CD1-CG 4.32Å; F239-L270 HydrophobicContact CD2-CB 4.07Å; F239-L270 HydrophobicContact CE1-CB 3.95Å; F239-L270 HydrophobicContact CE1-CD2 4.34Å; F239-L270 HydrophobicContact CE1-CG 4.49Å; F239-L270 HydrophobicContact CE2-CB 4.01Å; F239-L270 HydrophobicContact CG-CB 4.08Å; F239-L270 HydrophobicContact CG-CD1 4.02Å; F239-L270 HydrophobicContact CZ-CB 3.94Å; V242-L270 HydrophobicContact CG2-CD1 3.72Å; I260-L270 HydrophobicContact CD1-CG 4.44Å; I260-L270 HydrophobicContact CG2-CD2 4.35Å; V264-L270 HydrophobicContact CG1-CD2 4.25Å; N267-L270 HydrophobicContact CB-CB 4.21Å; N267-L270 PolarHBondContact O-N 3.1Å; N267-L270 PolarHBondContact OD1-N 3.38Å; L270-M273 PolarHBondContact O-N 3.37Å; L270-M274 WeakPolarHBondContact O-CB 3.13Å; L270-M274 PolarHBondContact O-N 2.81Å
271Q97.8Very high96.9Very high47 Ų4743.3 Ų43.322%0.2222%0.217CC..Hα-helixtrans-61.7-43.6177.3-66.7178.119.500111.6I260 G265 N267 V268 R269 M274 N275 L285 A287I260-Q271 HydrophobicContact CD1-CG 4.3Å; G265-Q271 PolarHBondContact O-NE2 3.41Å; N267-Q271 WeakPolarHBondContact O-CG 3.27Å; N267-Q271 PolarHBondContact O-N 3.45Å; N267-Q271 VanDerWaalsContact O-N 3.15Å; V268-Q271 PolarHBondContact O-N 2.96Å; R269-Q271 VanDerWaalsContact C-N 3.33Å; Q271-M274 PolarHBondContact O-N 3.11Å; Q271-N275 VanDerWaalsContact O-CB 3.26Å; Q271-N275 WeakPolarHBondContact O-CB 3.34Å; Q271-N275 PolarHBondContact O-N 3.48Å; Q271-L285 HydrophobicContact CB-CD2 4.35Å; Q271-L285 WeakPolarHBondContact O-CD2 3.42Å; Q271-A287 HydrophobicContact CG-CB 3.99Å
272E98.3Very high97Very high104 Ų10446.6 Ų46.649%0.48625%0.251SS..Hα-helixtrans-58.4-49.6175.2-74.8167.4-169.900112V268 R269 M274 N275 C276V268-E272 VanDerWaalsContact O-CG 3.28Å; V268-E272 WeakPolarHBondContact O-CG 2.84Å; V268-E272 PolarHBondContact O-N 3.37Å; R269-E272 WeakPolarHBondContact CD-OE2 3.39Å; R269-E272 IonicContact NH1-OE2 3.99Å; R269-E272 PolarHBondContact NH1-OE2 3.12Å; R269-E272 PolarHBondContact O-N 2.84Å; E272-M274 PolarHBondContact O-N 3.16Å; E272-N275 PolarHBondContact O-N 3.14Å; E272-C276 PolarHBondContact O-N 3.29Å
273M98.7Very high97.1Very high30 Ų3047.4 Ų47.415%0.14826%0.258CS..Hα-helixtrans-63.8-41.4-179.7-68.4174.870.100111.8F239 A240 V243 R269 L270 C276 M277F239-M273 HydrophobicContact CB-CE 3.78Å; F239-M273 HydrophobicContact CB-SD 3.49Å; F239-M273 WeakPolarHBondContact CB-SD 3.11Å; F239-M273 HydrophobicContact CD2-SD 4Å; F239-M273 HydrophobicContact CG-SD 4.27Å; A240-M273 HydrophobicContact CB-CE 4.04Å; V243-M273 HydrophobicContact CG2-CB 4.06Å; R269-M273 HydrophobicContact CG-SD 4.29Å; R269-M273 WeakPolarHBondContact O-CG 3.13Å; R269-M273 PolarHBondContact O-N 3.47Å; L270-M273 PolarHBondContact O-N 3.37Å; M273-C276 PolarHBondContact O-N 3Å; M273-M277 PolarHBondContact O-N 3.31Å
274M98.5Very high97.3Very high0 Ų051.8 Ų51.80%027%0.269CS..Hα-helixtrans-67.9-37175.9-16667.770.100112L130 V243 T246 V258 I260 L270 Q271 E272 C276 M277 A278 L285L130-M274 HydrophobicContact CD2-CE 3.4Å; V243-M274 HydrophobicContact CB-CE 4.46Å; V243-M274 HydrophobicContact CG2-CB 4.48Å; V243-M274 HydrophobicContact CG2-CE 3.87Å; V243-M274 HydrophobicContact CG2-SD 4.16Å; T246-M274 HydrophobicContact CG2-CE 4.01Å; T246-M274 HydrophobicContact CG2-SD 3.79Å; V258-M274 HydrophobicContact CG1-CG 4.13Å; V258-M274 HydrophobicContact CG2-CG 4.22Å; V258-M274 HydrophobicContact CG2-SD 4.22Å; I260-M274 HydrophobicContact CD1-CB 3.78Å; I260-M274 HydrophobicContact CD1-CG 3.88Å; I260-M274 HydrophobicContact CG1-CG 4.33Å; L270-M274 WeakPolarHBondContact O-CB 3.13Å; L270-M274 PolarHBondContact O-N 2.81Å; Q271-M274 PolarHBondContact O-N 3.11Å; E272-M274 PolarHBondContact O-N 3.16Å; M274-C276 VanDerWaalsContact C-N 3.35Å; M274-M277 HydrophobicContact CG-CE 4.3Å; M274-M277 PolarHBondContact O-N 2.96Å; M274-M277 HydrophobicContact SD-CE 3.27Å; M274-M277 WeakPolarHBondContact SD-CE 3.44Å; M274-A278 WeakPolarHBondContact O-CB 3.47Å; M274-A278 PolarHBondContact O-N 2.84Å; M274-L285 HydrophobicContact CB-CD1 4.31Å; M274-L285 HydrophobicContact CB-CD2 4.32Å; M274-L285 HydrophobicContact CG-CD1 3.88Å
275N98.4Very high97.4Very high56 Ų5652.3 Ų52.330%0.29927%0.271SS..Hα-helixtrans-64.9-41.3177.3-168.569000111Q271 E272 M277 A278 E279 L285Q271-N275 VanDerWaalsContact O-CB 3.26Å; Q271-N275 WeakPolarHBondContact O-CB 3.34Å; Q271-N275 PolarHBondContact O-N 3.48Å; E272-N275 PolarHBondContact O-N 3.14Å; N275-M277 PolarHBondContact O-N 2.94Å; N275-A278 PolarHBondContact O-N 3.09Å; N275-E279 PolarHBondContact ND2-OE1 3.08Å; N275-E279 WeakPolarHBondContact O-CB 3.49Å; N275-E279 WeakPolarHBondContact O-CG 3.33Å; N275-E279 PolarHBondContact O-N 2.99Å; N275-L285 HydrophobicContact CB-CD2 3.7Å
276C98.7Very high97.6Very high63 Ų6353.2 Ų53.243%0.42628%0.275SS..Hα-helixtrans-56.3-50.4174.8-166.60000111E272 M273 M274 A278 E279 E280E272-C276 PolarHBondContact O-N 3.29Å; M273-C276 PolarHBondContact O-N 3Å; M274-C276 VanDerWaalsContact C-N 3.35Å; C276-A278 PolarHBondContact O-N 3.49Å; C276-E279 PolarHBondContact O-N 3.4Å; C276-E280 WeakPolarHBondContact O-CG 3.44Å; C276-E280 PolarHBondContact O-N 3.38Å
277M98.5Very high97.7Very high10 Ų1053.9 Ų53.95%0.04928%0.282CS..Hα-helixtrans-61.3-43.9176.7178.6-80-64.700111.9V243 T246 E247 M250 M273 M274 N275 E280 R281V243-M277 HydrophobicContact CG1-CB 3.64Å; V243-M277 HydrophobicContact CG1-CG 3.89Å; T246-M277 HydrophobicContact CG2-CE 4.33Å; E247-M277 HydrophobicContact CB-CE 4.28Å; E247-M277 HydrophobicContact CB-CG 3.95Å; E247-M277 HydrophobicContact CB-SD 3.78Å; E247-M277 HydrophobicContact CG-CG 4.04Å; E247-M277 HydrophobicContact CG-SD 3.82Å; M250-M277 HydrophobicContact SD-CE 3.78Å; M250-M277 HydrophobicContact SD-SD 4.09Å; M273-M277 PolarHBondContact O-N 3.31Å; M274-M277 HydrophobicContact CG-CE 4.3Å; M274-M277 PolarHBondContact O-N 2.96Å; M274-M277 HydrophobicContact SD-CE 3.27Å; M274-M277 WeakPolarHBondContact SD-CE 3.44Å; N275-M277 PolarHBondContact O-N 2.94Å; M277-E280 PolarHBondContact O-N 3.39Å; M277-R281 WeakPolarHBondContact O-CB 3.48Å; M277-R281 PolarHBondContact O-N 2.91Å; M277-R281 VanDerWaalsContact O-N 3.15Å
278A98.2Very high97.2Very high0 Ų053.9 Ų53.90%028%0.282CS..Hα-helixtrans-62.4-46.7179.200000111.7V258 M274 N275 C276 R281 G282 A283 L285V258-A278 HydrophobicContact CG1-CB 4.15Å; M274-A278 WeakPolarHBondContact O-CB 3.47Å; M274-A278 PolarHBondContact O-N 2.84Å; N275-A278 PolarHBondContact O-N 3.09Å; C276-A278 PolarHBondContact O-N 3.49Å; A278-R281 CarbonylContact O-C 3.55Å; A278-R281 WeakPolarHBondContact O-CB 3.32Å; A278-R281 PolarHBondContact O-N 3.32Å; A278-R281 VanDerWaalsContact O-N 3.14Å; A278-G282 PolarHBondContact O-N 2.92Å; A278-G282 VanDerWaalsContact O-N 3.12Å; A278-A283 CarbonylContact C-O 3.14Å; A278-A283 HydrophobicContact CB-CB 4.26Å; A278-A283 WeakPolarHBondContact O-CA 3.28Å; A278-A283 WeakPolarHBondContact O-CB 3.41Å; A278-A283 PolarHBondContact O-N 3.34Å; A278-L285 HydrophobicContact CB-CB 4.35Å
279E98.1Very high96.6Very high129 Ų12954 Ų5460%0.60328%0.282SS*.Hα-helixtrans-62.1-44178.7-76-179.9177.300112.1N275 C276 R281 G282N275-E279 PolarHBondContact ND2-OE1 3.08Å; N275-E279 WeakPolarHBondContact O-CB 3.49Å; N275-E279 WeakPolarHBondContact O-CG 3.33Å; N275-E279 PolarHBondContact O-N 2.99Å; C276-E279 PolarHBondContact O-N 3.4Å; E279-R281 PolarHBondContact O-N 3.41Å; E279-G282 PolarHBondContact O-N 3.4Å
280E98.2Very high96Very high161 Ų16156.1 Ų56.175%0.75230%0.295SS*.Hα-helixtrans-61.6-27.4176.3-73.9177.8179.400112.6C276 M277C276-E280 WeakPolarHBondContact O-CG 3.44Å; C276-E280 PolarHBondContact O-N 3.38Å; M277-E280 PolarHBondContact O-N 3.39Å
281R97.1Very high95.5Very high104 Ų10463.7 Ų63.739%0.39232%0.323SS..THydrogen-bonded Turntrans-86-9.7175.3-160.7173-175.377.915.6113.8E247 M277 A278 E279 A283E247-R281 IonicContact OE1-NH1 3.6Å; M277-R281 WeakPolarHBondContact O-CB 3.48Å; M277-R281 PolarHBondContact O-N 2.91Å; M277-R281 VanDerWaalsContact O-N 3.15Å; A278-R281 CarbonylContact O-C 3.55Å; A278-R281 WeakPolarHBondContact O-CB 3.32Å; A278-R281 PolarHBondContact O-N 3.32Å; A278-R281 VanDerWaalsContact O-N 3.14Å; E279-R281 PolarHBondContact O-N 3.41Å; R281-A283 HydrophobicContact CB-CB 4.23Å
282G97.8Very high95.2Very high69 Ų6962.4 Ų62.471%0.71132%0.317SS*.THydrogen-bonded Turntrans69.722.9-168.400000113.4A278 E279A278-G282 PolarHBondContact O-N 2.92Å; A278-G282 VanDerWaalsContact O-N 3.12Å; E279-G282 PolarHBondContact O-N 3.4Å
283A97.9Very high94.8Very high17 Ų1757.4 Ų57.414%0.1429%0.294CS..  trans-98.7173177.500000111.6M250 D256 A278 R281M250-A283 HydrophobicContact CE-CB 3.53Å; D256-A283 HydrophobicContact CB-CB 4.45Å; D256-A283 CarbonylContact O-C 3.53Å; D256-A283 WeakPolarHBondContact O-CA 3.44Å; D256-A283 WeakPolarHBondContact O-CB 3.04Å; A278-A283 CarbonylContact C-O 3.14Å; A278-A283 HydrophobicContact CB-CB 4.26Å; A278-A283 WeakPolarHBondContact O-CA 3.28Å; A278-A283 WeakPolarHBondContact O-CB 3.41Å; A278-A283 PolarHBondContact O-N 3.34Å; R281-A283 HydrophobicContact CB-CB 4.23Å
284K97.8Very high94.4Very high119 Ų11957.5 Ų57.552%0.51729%0.294SS..EExtended strand (participates in β ladder)trans-118.7128.8179.7-173.9172.6175-173.30112.1D256 E257 V258 F286D256-K284 PolarHBondContact O-N 2.99Å; E257-K284 WeakPolarHBondContact CA-O 3.31Å; V258-K284 PolarHBondContact N-O 3.46Å; K284-F286 HydrophobicContact CB-CE2 4.11Å; K284-F286 HydrophobicContact CD-CE1 4.06Å; K284-F286 HydrophobicContact CD-CE2 3.82Å; K284-F286 HydrophobicContact CD-CZ 3.51Å; K284-F286 HydrophobicContact CG-CD2 4.31Å; K284-F286 HydrophobicContact CG-CE2 3.82Å; K284-F286 HydrophobicContact CG-CZ 4.02Å
285L98Very high94.3Very high27 Ų2758 Ų5814%0.14130%0.297CS..EExtended strand (participates in β ladder)trans-83.6134.8168.4173.865.1000111.3V258 I260 Q271 M274 N275 A278V258-L285 HydrophobicContact CG1-CB 4.09Å; V258-L285 HydrophobicContact CG1-CD1 3.78Å; V258-L285 CarbonylContact O-C 3.49Å; I260-L285 HydrophobicContact CD1-CD1 3.58Å; I260-L285 HydrophobicContact CD1-CD2 4.48Å; I260-L285 HydrophobicContact CG1-CD1 3.67Å; Q271-L285 HydrophobicContact CB-CD2 4.35Å; Q271-L285 WeakPolarHBondContact O-CD2 3.42Å; M274-L285 HydrophobicContact CB-CD1 4.31Å; M274-L285 HydrophobicContact CB-CD2 4.32Å; M274-L285 HydrophobicContact CG-CD1 3.88Å; N275-L285 HydrophobicContact CB-CD2 3.7Å; A278-L285 HydrophobicContact CB-CB 4.35Å
286F97.7Very high94.3Very high18 Ų1855.4 Ų55.48%0.07928%0.283CS..EExtended strand (participates in β ladder)trans-119.6130.3166.3-63-89.3000109.2T122 A124 E257 V258 L259 I260 K284T122-F286 HydrophobicContact CG2-CB 4.16Å; T122-F286 WeakPolarHBondContact O-CD1 3.49Å; T122-F286 WeakPolarHBondContact O-CE1 3.46Å; A124-F286 HydrophobicContact CB-CB 4.25Å; A124-F286 HydrophobicContact CB-CD1 4.28Å; A124-F286 HydrophobicContact CB-CD2 3.85Å; A124-F286 HydrophobicContact CB-CE2 4.16Å; A124-F286 HydrophobicContact CB-CG 3.88Å; A124-F286 HydrophobicContact CB-CZ 4.45Å; E257-F286 HydrophobicContact CB-CD2 4.35Å; E257-F286 HydrophobicContact CB-CE2 3.98Å; E257-F286 HydrophobicContact CG-CE2 3.8Å; V258-F286 PolarHBondContact O-N 2.83Å; L259-F286 CarbonylContact C-O 3.39Å; L259-F286 VanDerWaalsContact CA-O 3.32Å; L259-F286 WeakPolarHBondContact CA-O 3.32Å; L259-F286 HydrophobicContact CD1-CB 3.89Å; I260-F286 PolarHBondContact N-O 3Å; K284-F286 HydrophobicContact CB-CE2 4.11Å; K284-F286 HydrophobicContact CD-CE1 4.06Å; K284-F286 HydrophobicContact CD-CE2 3.82Å; K284-F286 HydrophobicContact CD-CZ 3.51Å; K284-F286 HydrophobicContact CG-CD2 4.31Å; K284-F286 HydrophobicContact CG-CE2 3.82Å; K284-F286 HydrophobicContact CG-CZ 4.02Å
287A93.6Very high94.3Very high34 Ų3452.4 Ų52.428%0.28126%0.263SS..EExtended strand (participates in β ladder)trans-137.5144.4175.900000109.8Q271Q271-A287 HydrophobicContact CG-CB 3.99Å
288T86.1Confident94.3Very high7 Ų751.9 Ų51.94%0.04326%0.26CS..  trans-88.1151.9173.4520000111.3T122 F292 C293T122-T288 HydrophobicContact CG2-CG2 4.07Å; T288-F292 HydrophobicContact CG2-CB 4.44Å; T288-C293 WeakPolarHBondContact OG1-CB 3.17Å
289D83.9Confident94.3Very high60 Ų6051.9 Ų51.932%0.32126%0.26SS..  trans-82.1174171.567.365.1000113.4R291 F292 C293D289-R291 PolarHBondContact O-N 3.15Å; D289-R291 WeakPolarHBondContact OD1-CB 3.43Å; D289-R291 WeakPolarHBondContact OD1-CG 3.4Å; D289-R291 IonicContact OD1-CZ 2.74Å; D289-R291 PolarHBondContact OD1-N 3.37Å; D289-R291 IonicContact OD1-NE 3.23Å; D289-R291 PolarHBondContact OD1-NE 3.46Å; D289-R291 IonicContact OD1-NH2 3.58Å; D289-R291 IonicContact OD2-CZ 2.74Å; D289-R291 IonicContact OD2-NE 3.38Å; D289-R291 PolarHBondContact OD2-NE 2.92Å; D289-R291 IonicContact OD2-NH2 3.49Å; D289-R291 PolarHBondContact OD2-NH2 3.17Å; D289-F292 PolarHBondContact O-N 3.26Å; D289-C293 PolarHBondContact O-N 2.82Å; D289-C293 PolarHBondContact O-SG 2.68Å
290E84.2Confident94.3Very high124 Ų12445.8 Ų45.858%0.57923%0.232SC*.Hα-helixtrans-50.8-25.1-177.9-65.6-174.4163.900115.4R30 F292 C293R30-E290 PolarHBondContact NH2-O 3.42Å; E290-F292 VanDerWaalsContact C-N 3.26Å; E290-F292 PolarHBondContact O-N 3.2Å; E290-C293 WeakPolarHBondContact CA-SG 3.44Å
291R87.8Confident94.3Very high158 Ų15838.1 Ų38.160%0.59620%0.196SC*.Hα-helixtrans-68.8-28.7179.1-57.4173.2-68.8178-0.6111.6D289D289-R291 PolarHBondContact O-N 3.15Å; D289-R291 WeakPolarHBondContact OD1-CB 3.43Å; D289-R291 WeakPolarHBondContact OD1-CG 3.4Å; D289-R291 IonicContact OD1-CZ 2.74Å; D289-R291 PolarHBondContact OD1-N 3.37Å; D289-R291 IonicContact OD1-NE 3.23Å; D289-R291 PolarHBondContact OD1-NE 3.46Å; D289-R291 IonicContact OD1-NH2 3.58Å; D289-R291 IonicContact OD2-CZ 2.74Å; D289-R291 IonicContact OD2-NE 3.38Å; D289-R291 PolarHBondContact OD2-NE 2.92Å; D289-R291 IonicContact OD2-NH2 3.49Å; D289-R291 PolarHBondContact OD2-NH2 3.17Å
292F92.4Very high94.4Very high20 Ų2033.8 Ų33.89%0.08818%0.18CC..Hα-helixtrans-123.8-25.7-171.9-56.7-67.9000114.7V25 M117 I121 T288 D289 E290 I294 N296V25-F292 HydrophobicContact CG2-CE1 4.07Å; V25-F292 HydrophobicContact CG2-CZ 4.35Å; M117-F292 HydrophobicContact CE-CD1 4.44Å; M117-F292 HydrophobicContact CG-CB 4.01Å; M117-F292 HydrophobicContact CG-CD1 3.88Å; M117-F292 HydrophobicContact CG-CG 4.18Å; M117-F292 HydrophobicContact SD-CD1 3.69Å; M117-F292 HydrophobicContact SD-CE1 4.02Å; M117-F292 HydrophobicContact SD-CG 4.29Å; I121-F292 HydrophobicContact CD1-CD2 4.11Å; I121-F292 HydrophobicContact CD1-CE1 4.28Å; I121-F292 HydrophobicContact CD1-CE2 3.7Å; I121-F292 HydrophobicContact CD1-CZ 3.79Å; I121-F292 HydrophobicContact CG1-CD1 4.44Å; I121-F292 HydrophobicContact CG1-CD2 3.82Å; I121-F292 HydrophobicContact CG1-CE2 3.96Å; I121-F292 HydrophobicContact CG1-CG 4.07Å; I121-F292 HydrophobicContact CG1-CZ 4.33Å; I121-F292 HydrophobicContact CG2-CD2 4.06Å; I121-F292 HydrophobicContact CG2-CE2 4.26Å; T288-F292 HydrophobicContact CG2-CB 4.44Å; D289-F292 PolarHBondContact O-N 3.26Å; E290-F292 VanDerWaalsContact C-N 3.26Å; E290-F292 PolarHBondContact O-N 3.2Å; F292-I294 VanDerWaalsContact C-N 3.34Å; F292-N296 PolarHBondContact O-ND2 2.89Å
293C88.9Confident94.4Very high0 Ų030.6 Ų30.60%015%0.147CC..Hα-helixtrans-69-32.9177.757.10000112.5H114 G262 G263 C266 T288 D289 E290H114-C293 PolarHBondContact CE1-O 3.33Å; G262-C293 CarbonylContact C-O 3.59Å; G262-C293 WeakPolarHBondContact CA-O 3.28Å; G263-C293 WeakPolarHBondContact CA-O 3.42Å; G263-C293 PolarHBondContact N-O 3.22Å; G263-C293 VanDerWaalsContact N-O 3.1Å; C266-C293 HydrophobicContact CB-CB 4.22Å; C266-C293 WeakPolarHBondContact CB-SG 3.4Å; C266-C293 WeakPolarHBondContact SG-CB 3.35Å; C266-C293 CovalentContact SG-SG 2.01Å; C266-C293 PolarHBondContact SG-SG 3.46Å; T288-C293 WeakPolarHBondContact OG1-CB 3.17Å; D289-C293 PolarHBondContact O-N 2.82Å; D289-C293 PolarHBondContact O-SG 2.68Å; E290-C293 WeakPolarHBondContact CA-SG 3.44Å
294I91.1Very high94.4Very high31 Ų3129.8 Ų29.816%0.15914%0.14CC..SBendtrans-81139.4172.7-54.9-65.2000109.4K14 R30 C266 F292 N296K14-I294 HydrophobicContact CD-CG2 4.4Å; K14-I294 HydrophobicContact CG-CG2 3.93Å; R30-I294 PolarHBondContact NH1-O 3.12Å; C266-I294 VanDerWaalsContact SG-CD1 3.54Å; F292-I294 VanDerWaalsContact C-N 3.34Å; I294-N296 PolarHBondContact O-N 3.04Å; I294-N296 PolarHBondContact O-ND2 2.9Å
295D96.5Very high94.4Very high12 Ų1224.3 Ų24.36%0.06412%0.117CC..  trans-41.1128176.9-52.9-25.3000111.8E9 K14 R30 H110 H114 M299E9-D295 HydrophobicContact CG-CB 3.92Å; K14-D295 HydrophobicContact CB-CB 4.06Å; K14-D295 HydrophobicContact CG-CB 4.47Å; R30-D295 WeakPolarHBondContact CD-O 3.35Å; R30-D295 PolarHBondContact NH1-O 3.27Å; H110-D295 IonicContact CE1-OD1 3.74Å; H110-D295 PolarHBondContact CE1-OD1 2.83Å; H110-D295 VanDerWaalsContact CE1-OD1 3.26Å; H110-D295 IonicContact NE2-OD1 3.68Å; H114-D295 IonicContact CE1-OD1 3.96Å; H114-D295 PolarHBondContact CE1-OD1 2.87Å; H114-D295 IonicContact NE2-OD1 3.5Å; H114-D295 PolarHBondContact NE2-OD1 2.82Å; D295-M299 HydrophobicContact CB-CE 4.48Å
296N97.8Very high94.4Very high0 Ų025 Ų250%012%0.12CC..  trans-151158.8-172.863.887.4000111.3E9 F292 I294 A298 M299E9-N296 VanDerWaalsContact CB-O 3.22Å; E9-N296 WeakPolarHBondContact CB-O 3.5Å; F292-N296 PolarHBondContact O-ND2 2.89Å; I294-N296 PolarHBondContact O-N 3.04Å; I294-N296 PolarHBondContact O-ND2 2.9Å; N296-A298 VanDerWaalsContact C-N 3.35Å; N296-A298 PolarHBondContact OD1-N 2.82Å; N296-M299 WeakPolarHBondContact O-CG 3.47Å; N296-M299 PolarHBondContact OD1-N 3.49Å
297G98.6Very high94.4Very high0 Ų024.3 Ų24.30%012%0.118CC..Hα-helixtrans-76.2-25-179.300000113N28 M299 I300 A301N28-G297 PolarHBondContact OD1-N 3.29Å; G297-M299 PolarHBondContact O-N 3.02Å; G297-I300 PolarHBondContact O-N 3.15Å; G297-A301 PolarHBondContact O-N 3.18Å
298A98.4Very high94.6Very high0 Ų025.2 Ų25.20%012%0.115CC..Hα-helixtrans-65.5-36.6-178.900000112.7V20 V25 N28 M117 N296 I300 A301 H302V20-A298 HydrophobicContact CG2-CB 4.22Å; V25-A298 HydrophobicContact CG1-CB 3.89Å; V25-A298 HydrophobicContact CG2-CB 4.25Å; N28-A298 HydrophobicContact CB-CB 4.07Å; N28-A298 VanDerWaalsContact CG-CB 3.43Å; N28-A298 WeakPolarHBondContact OD1-CB 3.33Å; N28-A298 PolarHBondContact OD1-N 3.37Å; M117-A298 HydrophobicContact CE-CB 3.92Å; M117-A298 VanDerWaalsContact CE-O 3.26Å; M117-A298 WeakPolarHBondContact CE-O 3.3Å; N296-A298 VanDerWaalsContact C-N 3.35Å; N296-A298 PolarHBondContact OD1-N 2.82Å; A298-I300 VanDerWaalsContact C-N 3.27Å; A298-I300 PolarHBondContact O-N 3.41Å; A298-A301 PolarHBondContact O-N 3.48Å; A298-H302 WeakPolarHBondContact O-CB 3.42Å; A298-H302 PolarHBondContact O-N 3.14Å
299M98.2Very high95.1Very high0 Ų029.1 Ų29.10%014%0.136CC..Hα-helixtrans-63.3-36.3176.168.4178.3-168.900112.1E9 H110 A113 M117 D295 N296 G297 T303E9-M299 HydrophobicContact CG-CE 3.9Å; E9-M299 WeakPolarHBondContact OE2-CE 3.43Å; H110-M299 WeakPolarHBondContact ND1-CE 3.43Å; A113-M299 HydrophobicContact CB-CB 4.1Å; A113-M299 HydrophobicContact CB-CE 4.48Å; A113-M299 HydrophobicContact CB-CG 3.87Å; A113-M299 HydrophobicContact CB-SD 4.21Å; A113-M299 WeakPolarHBondContact O-CB 3.28Å; M117-M299 HydrophobicContact CB-CB 3.52Å; M117-M299 HydrophobicContact CE-CB 4.28Å; M117-M299 HydrophobicContact CG-CB 3.97Å; D295-M299 HydrophobicContact CB-CE 4.48Å; N296-M299 WeakPolarHBondContact O-CG 3.47Å; N296-M299 PolarHBondContact OD1-N 3.49Å; G297-M299 PolarHBondContact O-N 3.02Å; M299-T303 WeakPolarHBondContact O-CB 3.36Å; M299-T303 PolarHBondContact O-N 3.12Å; M299-T303 VanDerWaalsContact O-N 3.1Å; M299-T303 PolarHBondContact O-OG1 2.82Å
300I98.8Very high95.7Very high0 Ų028 Ų280%014%0.135CC..Hα-helixtrans-69.5-42.6175.6-57.9-59.8000110.3E9 A76 T78 V108 A113 G297 A298 G304E9-I300 HydrophobicContact CB-CG1 3.85Å; A76-I300 HydrophobicContact CB-CG2 3.9Å; T78-I300 VanDerWaalsContact OG1-CD1 3.25Å; T78-I300 WeakPolarHBondContact OG1-CD1 3.08Å; V108-I300 HydrophobicContact CB-CD1 4.29Å; V108-I300 HydrophobicContact CB-CG2 4.14Å; V108-I300 HydrophobicContact CG1-CD1 3.97Å; V108-I300 HydrophobicContact CG2-CG2 4.07Å; A113-I300 HydrophobicContact CB-CD1 3.63Å; G297-I300 PolarHBondContact O-N 3.15Å; A298-I300 VanDerWaalsContact C-N 3.27Å; A298-I300 PolarHBondContact O-N 3.41Å; I300-G304 PolarHBondContact O-N 3.24Å
301A98.7Very high96.2Very high0 Ų024.9 Ų24.90%014%0.136CC..Hα-helixtrans-63.3-47.4176.700000112I5 V20 G297 A298 G304 C305I5-A301 HydrophobicContact CG2-CB 4.36Å; I5-A301 WeakPolarHBondContact O-CB 3.38Å; V20-A301 HydrophobicContact CB-CB 3.88Å; V20-A301 HydrophobicContact CG2-CB 3.63Å; G297-A301 PolarHBondContact O-N 3.18Å; A298-A301 PolarHBondContact O-N 3.48Å; A301-G304 CarbonylContact O-C 3.56Å; A301-G304 WeakPolarHBondContact O-CA 3.26Å; A301-G304 PolarHBondContact O-N 3.01Å; A301-G304 VanDerWaalsContact O-N 3.14Å; A301-C305 PolarHBondContact O-N 3.03Å; A301-C305 PolarHBondContact O-SG 2.96Å
302H98.3Very high96.6Very high14 Ų1419.7 Ų19.77%0.06512%0.12CC..Hα-helixtrans-61.6-48.5-179.7176.255.1000112V20 M117 L120 A298 G304 C305 L306V20-H302 HydrophobicContact CG1-CB 4.28Å; V20-H302 HydrophobicContact CG2-CB 4.3Å; M117-H302 HydrophobicContact CE-CB 3.72Å; L120-H302 HydrophobicContact CD2-CB 4.45Å; A298-H302 WeakPolarHBondContact O-CB 3.42Å; A298-H302 PolarHBondContact O-N 3.14Å; H302-G304 PolarHBondContact O-N 3.34Å; H302-C305 VanDerWaalsContact O-CB 3.28Å; H302-C305 WeakPolarHBondContact O-CB 3.46Å; H302-C305 PolarHBondContact O-N 2.75Å; H302-L306 PolarHBondContact O-N 3.29Å; H302-L306 VanDerWaalsContact O-N 3.12Å
303T98.2Very high96.7Very high1 Ų122.3 Ų22.31%0.00614%0.138CC..Hα-helixtrans-63.7-35.1175.9-48.60000110.9V108 I112 A113 E116 M299 C305 L306 M307 W334V108-T303 HydrophobicContact CG1-CG2 3.71Å; I112-T303 HydrophobicContact CG2-CG2 4.04Å; A113-T303 VanDerWaalsContact CA-OG1 3.26Å; A113-T303 WeakPolarHBondContact CA-OG1 3.37Å; E116-T303 HydrophobicContact CG-CG2 4.26Å; M299-T303 WeakPolarHBondContact O-CB 3.36Å; M299-T303 PolarHBondContact O-N 3.12Å; M299-T303 VanDerWaalsContact O-N 3.1Å; M299-T303 PolarHBondContact O-OG1 2.82Å; T303-C305 VanDerWaalsContact C-N 3.35Å; T303-C305 PolarHBondContact O-N 3.36Å; T303-L306 PolarHBondContact O-N 2.99Å; T303-M307 HydrophobicContact CG2-CG 4.48Å; T303-M307 HydrophobicContact CG2-SD 4.28Å; T303-M307 WeakPolarHBondContact O-CB 3.24Å; T303-M307 VanDerWaalsContact O-CG 3.26Å; T303-M307 WeakPolarHBondContact O-CG 3.27Å; T303-M307 PolarHBondContact O-N 3.17Å; T303-W334 HydrophobicContact CG2-CZ2 4.45Å
304G98.2Very high97Very high0 Ų024.2 Ų24.20%015%0.146CC..Hα-helixtrans-58.2-41.9169.900000113.1I106 I300 A301 H302 M307 F308I106-G304 VanDerWaalsContact CD1-O 3.28Å; I106-G304 WeakPolarHBondContact CD1-O 3.46Å; I300-G304 PolarHBondContact O-N 3.24Å; A301-G304 CarbonylContact O-C 3.56Å; A301-G304 WeakPolarHBondContact O-CA 3.26Å; A301-G304 PolarHBondContact O-N 3.01Å; A301-G304 VanDerWaalsContact O-N 3.14Å; H302-G304 PolarHBondContact O-N 3.34Å; G304-M307 PolarHBondContact O-N 2.89Å; G304-F308 VanDerWaalsContact O-CB 3.24Å; G304-F308 WeakPolarHBondContact O-CB 3.44Å; G304-F308 PolarHBondContact O-N 3.33Å
305C97.9Very high97.2Very high4 Ų425.9 Ų25.93%0.02716%0.159CC..Hα-helixtrans-58.8-52.1173.7-65.40000110.3T3 I5 A301 H302 T303 M307 F308 D309T3-C305 HydrophobicContact CG2-CB 4.25Å; I5-C305 HydrophobicContact CG1-CB 4.24Å; I5-C305 WeakPolarHBondContact CG1-SG 3.46Å; A301-C305 PolarHBondContact O-N 3.03Å; A301-C305 PolarHBondContact O-SG 2.96Å; H302-C305 VanDerWaalsContact O-CB 3.28Å; H302-C305 WeakPolarHBondContact O-CB 3.46Å; H302-C305 PolarHBondContact O-N 2.75Å; T303-C305 VanDerWaalsContact C-N 3.35Å; T303-C305 PolarHBondContact O-N 3.36Å; C305-M307 VanDerWaalsContact C-N 3.33Å; C305-M307 PolarHBondContact O-N 3.38Å; C305-F308 PolarHBondContact O-N 3.14Å; C305-F308 VanDerWaalsContact O-N 3.16Å; C305-D309 WeakPolarHBondContact O-CB 3.44Å; C305-D309 PolarHBondContact O-N 3.46Å
306L97.3Very high97.1Very high42 Ų4229 Ų2922%0.2218%0.175CC..Hα-helixtrans-57.4-46-179.7-62.6176.1000112.1E116 H302 T303 A310 W334E116-L306 HydrophobicContact CB-CD1 3.97Å; E116-L306 HydrophobicContact CG-CD1 3.87Å; H302-L306 PolarHBondContact O-N 3.29Å; H302-L306 VanDerWaalsContact O-N 3.12Å; T303-L306 PolarHBondContact O-N 2.99Å; L306-A310 WeakPolarHBondContact O-CB 3.4Å; L306-A310 PolarHBondContact O-N 3.1Å; L306-A310 VanDerWaalsContact O-N 3.12Å; L306-W334 HydrophobicContact CB-CB 4.14Å; L306-W334 HydrophobicContact CB-CD2 4.17Å; L306-W334 HydrophobicContact CB-CG 3.78Å
307M97.5Very high96.9Very high4 Ų436.8 Ų36.82%0.0221%0.209CC..Hα-helixtrans-63.7-44.6177.3-71.7-179.978.300111.8I106 V108 T303 G304 C305 A310 G311 L312 F314 W334I106-M307 HydrophobicContact CG2-CB 3.95Å; I106-M307 HydrophobicContact CG2-CE 4Å; I106-M307 HydrophobicContact CG2-CG 4.49Å; I106-M307 HydrophobicContact CG2-SD 3.77Å; V108-M307 HydrophobicContact CG2-SD 4.05Å; T303-M307 HydrophobicContact CG2-CG 4.48Å; T303-M307 HydrophobicContact CG2-SD 4.28Å; T303-M307 WeakPolarHBondContact O-CB 3.24Å; T303-M307 VanDerWaalsContact O-CG 3.26Å; T303-M307 WeakPolarHBondContact O-CG 3.27Å; T303-M307 PolarHBondContact O-N 3.17Å; G304-M307 PolarHBondContact O-N 2.89Å; C305-M307 VanDerWaalsContact C-N 3.33Å; C305-M307 PolarHBondContact O-N 3.38Å; M307-A310 PolarHBondContact O-N 2.8Å; M307-G311 PolarHBondContact O-N 3.47Å; M307-L312 HydrophobicContact CB-CB 4.19Å; M307-L312 HydrophobicContact CB-CD1 4.19Å; M307-L312 HydrophobicContact CE-CD1 3.89Å; M307-L312 HydrophobicContact CG-CD1 4.17Å; M307-L312 WeakPolarHBondContact O-CA 3.49Å; M307-L312 VanDerWaalsContact O-CB 3.26Å; M307-L312 WeakPolarHBondContact O-CB 3.46Å; M307-L312 PolarHBondContact O-N 2.8Å; M307-F314 HydrophobicContact CE-CE2 3.69Å; M307-F314 HydrophobicContact CE-CZ 4.07Å; M307-W334 HydrophobicContact CG-CE3 3.83Å; M307-W334 HydrophobicContact CG-CH2 3.91Å; M307-W334 HydrophobicContact CG-CZ3 3.43Å; M307-W334 VanDerWaalsContact CG-CZ3 3.43Å; M307-W334 HydrophobicContact SD-CH2 4.44Å; M307-W334 HydrophobicContact SD-CZ3 4.35Å
308F97.3Very high96.7Very high52 Ų5240.4 Ų40.423%0.22823%0.228CC..Hα-helixtrans-63.1-45.5179.7-172.7-104.9000112T3 I5 D73 A74 P104 I106 G304 C305 A310 G311 T313T3-F308 HydrophobicContact CG2-CB 4.39Å; T3-F308 HydrophobicContact CG2-CD1 3.61Å; T3-F308 HydrophobicContact CG2-CE1 4.32Å; T3-F308 HydrophobicContact CG2-CG 4.34Å; I5-F308 HydrophobicContact CD1-CB 4.38Å; I5-F308 HydrophobicContact CD1-CG 4.41Å; D73-F308 HydrophobicContact CB-CD1 4.43Å; D73-F308 HydrophobicContact CB-CE1 3.83Å; D73-F308 HydrophobicContact CB-CZ 4.08Å; A74-F308 HydrophobicContact CB-CD2 3.92Å; A74-F308 HydrophobicContact CB-CE2 4.12Å; P104-F308 HydrophobicContact CB-CE2 4.36Å; P104-F308 HydrophobicContact CG-CE2 4.12Å; I106-F308 HydrophobicContact CD1-CB 3.61Å; I106-F308 HydrophobicContact CD1-CD2 3.99Å; I106-F308 HydrophobicContact CD1-CG 4.24Å; G304-F308 VanDerWaalsContact O-CB 3.24Å; G304-F308 WeakPolarHBondContact O-CB 3.44Å; G304-F308 PolarHBondContact O-N 3.33Å; C305-F308 PolarHBondContact O-N 3.14Å; C305-F308 VanDerWaalsContact O-N 3.16Å; F308-A310 PolarHBondContact O-N 2.91Å; F308-G311 WeakPolarHBondContact O-CA 3.48Å; F308-G311 PolarHBondContact O-N 2.91Å; F308-T313 HydrophobicContact CD2-CG2 4.13Å; F308-T313 HydrophobicContact CE2-CG2 4.19Å
309D96.6Very high96.6Very high89 Ų8940.4 Ų40.448%0.47623%0.228SC..Hα-helixtrans-66.3-30.1-179.1-66.7-23.5000111.6T3 C305 G311T3-D309 VanDerWaalsContact CB-OD1 3.29Å; T3-D309 WeakPolarHBondContact CB-OD1 3.49Å; T3-D309 PolarHBondContact OG1-OD1 3.36Å; C305-D309 WeakPolarHBondContact O-CB 3.44Å; C305-D309 PolarHBondContact O-N 3.46Å; D309-G311 PolarHBondContact O-N 3.11Å
310A96.3Very high96.5Very high36 Ų3644.5 Ų44.530%0.29825%0.253SS..THydrogen-bonded Turntrans-79.34.4169.900000114.2L306 M307 F308 I333 W334L306-A310 WeakPolarHBondContact O-CB 3.4Å; L306-A310 PolarHBondContact O-N 3.1Å; L306-A310 VanDerWaalsContact O-N 3.12Å; M307-A310 PolarHBondContact O-N 2.8Å; F308-A310 PolarHBondContact O-N 2.91Å; A310-I333 HydrophobicContact CB-CD1 4.05Å; A310-I333 HydrophobicContact CB-CG1 3.93Å; A310-W334 HydrophobicContact CB-CB 4.01Å
311G96.2Very high96.4Very high59 Ų5945.7 Ų45.761%0.60826%0.26SS*.THydrogen-bonded Turntrans84.911.517600000115.3M307 F308 D309M307-G311 PolarHBondContact O-N 3.47Å; F308-G311 WeakPolarHBondContact O-CA 3.48Å; F308-G311 PolarHBondContact O-N 2.91Å; D309-G311 PolarHBondContact O-N 3.11Å
312L95.8Very high96.4Very high49 Ų4947.7 Ų47.726%0.25727%0.274SS..  trans-83.6125.4178-59.8175.4000111.4M307 I333 W334M307-L312 HydrophobicContact CB-CB 4.19Å; M307-L312 HydrophobicContact CB-CD1 4.19Å; M307-L312 HydrophobicContact CE-CD1 3.89Å; M307-L312 HydrophobicContact CG-CD1 4.17Å; M307-L312 WeakPolarHBondContact O-CA 3.49Å; M307-L312 VanDerWaalsContact O-CB 3.26Å; M307-L312 WeakPolarHBondContact O-CB 3.46Å; M307-L312 PolarHBondContact O-N 2.8Å; L312-I333 HydrophobicContact CD1-CD1 4.09Å; L312-I333 HydrophobicContact CD1-CG1 4.01Å; L312-I333 HydrophobicContact CD2-CD1 3.72Å; L312-I333 HydrophobicContact CG-CD1 3.81Å; L312-I333 HydrophobicContact CG-CG1 4.28Å; L312-W334 HydrophobicContact CD1-CE3 4.33Å; L312-W334 HydrophobicContact CD1-CZ3 4.08Å
313T94.7Very high96.4Very high76 Ų7652.9 Ų52.947%0.46630%0.299SS..  trans-139.5154.4168.760.80000109.7P104 F308P104-T313 HydrophobicContact CB-CG2 3.77Å; P104-T313 HydrophobicContact CG-CG2 4.46Å; F308-T313 HydrophobicContact CD2-CG2 4.13Å; F308-T313 HydrophobicContact CE2-CG2 4.19Å
314F93.7Very high96.3Very high40 Ų4063.6 Ų63.618%0.17534%0.339CS..  trans-116.1117.2-175.1-73.5-106.9000110.4K79 L105 I106 M307K79-F314 HydrophobicContact CD-CE1 4.44Å; L105-F314 WeakPolarHBondContact O-CB 3.4Å; L105-F314 PolarHBondContact O-N 3.4Å; I106-F314 HydrophobicContact CG2-CD2 4.48Å; I106-F314 HydrophobicContact CG2-CE2 4.46Å; M307-F314 HydrophobicContact CE-CE2 3.69Å; M307-F314 HydrophobicContact CE-CZ 4.07Å
315P95.3Very high96.2Very high65 Ų6565.4 Ų65.442%0.42235%0.346SS..  trans-56.4150.1167.5-23.634000111.2K317 D318 S319P315-K317 HydrophobicContact CB-CG 3.99Å; P315-K317 PolarHBondContact O-N 2.95Å; P315-K317 VanDerWaalsContact O-N 3.15Å; P315-D318 WeakPolarHBondContact CG-OD2 3.07Å; P315-D318 PolarHBondContact O-N 3.22Å; P315-S319 PolarHBondContact O-N 3.42Å
316L94.4Very high96.2Very high78 Ų7870.3 Ų70.341%0.40836%0.364SS..G310 helixtrans-53.8-38.8179.4-75.1170.6000112.7R95 Q99 L105 D318 S319R95-L316 HydrophobicContact CB-CD2 3.97Å; R95-L316 HydrophobicContact CG-CD2 3.89Å; Q99-L316 HydrophobicContact CG-CD1 3.81Å; Q99-L316 HydrophobicContact CG-CD2 4.38Å; L105-L316 HydrophobicContact CD2-CD2 4.38Å; L316-D318 PolarHBondContact O-N 3.27Å; L316-S319 WeakPolarHBondContact O-CB 3.3Å; L316-S319 PolarHBondContact O-N 2.98Å; L316-S319 PolarHBondContact O-OG 2.98Å
317K95.2Very high96.1Very high164 Ų16468.4 Ų68.471%0.71335%0.354SS*.G310 helixtrans-61.6-28.6177.362.1171.1-1701790113.8P315P315-K317 HydrophobicContact CB-CG 3.99Å; P315-K317 PolarHBondContact O-N 2.95Å; P315-K317 VanDerWaalsContact O-N 3.15Å
318D94.4Very high96Very high75 Ų7570.2 Ų70.240%0.40136%0.364SS..G310 helixtrans-100.33.4-176.3-55.5-41.2000111.9K79 P315 L316 V320K79-D318 PolarHBondContact NZ-O 3.34Å; P315-D318 WeakPolarHBondContact CG-OD2 3.07Å; P315-D318 PolarHBondContact O-N 3.22Å; L316-D318 PolarHBondContact O-N 3.27Å; D318-V320 PolarHBondContact O-N 3.46Å
319S95.4Very high96Very high0 Ų070.3 Ų70.30%037%0.374CS..  trans-86.917.3-179.874.80000113.6Y77 R95 L105 P315 L316Y77-S319 WeakPolarHBondContact OH-CA 3.4Å; Y77-S319 WeakPolarHBondContact OH-CB 3.37Å; Y77-S319 PolarHBondContact OH-O 3.08Å; R95-S319 PolarHBondContact NE-OG 3.19Å; R95-S319 VanDerWaalsContact NH2-C 3.27Å; R95-S319 PolarHBondContact NH2-O 3.28Å; L105-S319 VanDerWaalsContact CD2-CB 3.47Å; P315-S319 PolarHBondContact O-N 3.42Å; L316-S319 WeakPolarHBondContact O-CB 3.3Å; L316-S319 PolarHBondContact O-N 2.98Å; L316-S319 PolarHBondContact O-OG 2.98Å
320V95.8Very high95.9Very high87 Ų8766.7 Ų66.753%0.52736%0.355SS..  trans-67.4134.1177.9-172.90000110.2K79 D318K79-V320 WeakPolarHBondContact CE-O 3.4Å; D318-V320 PolarHBondContact O-N 3.46Å
321V98.1Very high95.9Very high24 Ų2468.8 Ų68.815%0.14536%0.361CS..  trans-70.6150.6177.7-61.90000111.1Y77 K79 L87 L88 A91Y77-V321 HydrophobicContact CE2-CG1 4.21Å; K79-V321 CarbonylContact O-C 3.52Å; K79-V321 VanDerWaalsContact O-CA 3.3Å; K79-V321 WeakPolarHBondContact O-CA 3.24Å; L87-V321 HydrophobicContact CB-CB 4.03Å; L87-V321 HydrophobicContact CB-CG1 4.01Å; L87-V321 HydrophobicContact CB-CG2 4.21Å; L87-V321 HydrophobicContact CD1-CB 4.45Å; L88-V321 HydrophobicContact CD2-CG2 3.67Å; L88-V321 HydrophobicContact CG-CG2 3.99Å; A91-V321 HydrophobicContact CB-CG1 3.48Å; A91-V321 VanDerWaalsContact CB-CG1 3.48Å
322S97.9Very high95.9Very high43 Ų4366 Ų6630%0.30133%0.333SS..  trans-127.8117.91741780000110K79 G80 R324K79-S322 PolarHBondContact O-N 2.95Å; G80-S322 WeakPolarHBondContact CA-O 3.41Å; S322-R324 PolarHBondContact O-N 3.4Å; S322-R324 VanDerWaalsContact OG-C 3.27Å; S322-R324 PolarHBondContact OG-N 3.19Å; S322-R324 PolarHBondContact OG-O 3.26Å
323Q97.5Very high95.9Very high123 Ų12368.3 Ų68.358%0.57534%0.344SS*.SBendtrans-62.6-24.7174-66-172.586.300112P81 G82 G84P81-Q323 VanDerWaalsContact CB-O 3.28Å; P81-Q323 WeakPolarHBondContact CB-O 3.35Å; G82-Q323 PolarHBondContact N-O 3.39Å; G82-Q323 WeakPolarHBondContact O-CA 3.27Å; G82-Q323 WeakPolarHBondContact O-CB 3.48Å; G82-Q323 WeakPolarHBondContact O-CG 3.46Å; G84-Q323 VanDerWaalsContact N-OE1 3.09Å
324R96.7Very high95.9Very high226 Ų22666.8 Ų66.885%0.85333%0.33SS*.SBendtrans-122.871.5-177.6-61.9179.4-176.8171.8-0.6109.5S322S322-R324 PolarHBondContact O-N 3.4Å; S322-R324 VanDerWaalsContact OG-C 3.27Å; S322-R324 PolarHBondContact OG-N 3.19Å; S322-R324 PolarHBondContact OG-O 3.26Å
325Y97.1Very high95.9Very high37 Ų3766.3 Ų66.315%0.14533%0.327CS..  trans-101.796.5176.3-165.3-162.8000109.6K79 P81 N109 A329 V330K79-Y325 HydrophobicContact CB-CD1 4.33Å; K79-Y325 HydrophobicContact CB-CE1 4.19Å; K79-Y325 HydrophobicContact CD-CE1 4.23Å; K79-Y325 HydrophobicContact CG-CD1 4.5Å; K79-Y325 HydrophobicContact CG-CE1 4.36Å; P81-Y325 WeakPolarHBondContact CD-O 3.34Å; N109-Y325 HydrophobicContact CB-CD1 3.88Å; N109-Y325 HydrophobicContact CB-CE1 3.71Å; N109-Y325 WeakPolarHBondContact ND2-CD1 3.33Å; N109-Y325 PolarHBondContact ND2-O 3.05Å; N109-Y325 VanDerWaalsContact ND2-O 3.07Å; Y325-A329 HydrophobicContact CD2-CB 4.12Å; Y325-A329 HydrophobicContact CE2-CB 3.96Å; Y325-V330 HydrophobicContact CE1-CG2 4.18Å; Y325-V330 HydrophobicContact CE2-CG2 3.95Å; Y325-V330 WeakPolarHBondContact OH-CG2 3.41Å
326R96.3Very high95.4Very high108 Ų10870.4 Ų70.441%0.40835%0.345SS..  trans-63.3146.3-178.5-69.9-176.256.790.4-6.1111.3N109 E152 D328 A329N109-R326 PolarHBondContact ND2-O 3.36Å; E152-R326 IonicContact OE1-CZ 3.75Å; E152-R326 IonicContact OE1-NH1 2.9Å; E152-R326 PolarHBondContact OE1-NH1 3.49Å; E152-R326 IonicContact OE1-NH2 3.64Å; E152-R326 IonicContact OE2-NH1 3.84Å; R326-D328 VanDerWaalsContact C-N 3.26Å; R326-D328 WeakPolarHBondContact CB-OD1 3.31Å; R326-D328 IonicContact CZ-OD1 3.79Å; R326-D328 IonicContact CZ-OD2 3.49Å; R326-D328 IonicContact NE-OD1 2.96Å; R326-D328 PolarHBondContact NE-OD1 3.34Å; R326-D328 IonicContact NE-OD2 3.34Å; R326-D328 PolarHBondContact NE-OD2 3.04Å; R326-D328 IonicContact NH2-OD1 3.8Å; R326-D328 IonicContact NH2-OD2 2.78Å; R326-D328 PolarHBondContact NH2-OD2 3.32Å; R326-D328 PolarHBondContact O-N 3.38Å; R326-A329 HydrophobicContact CB-CB 4.38Å; R326-A329 VanDerWaalsContact O-CB 3.26Å; R326-A329 WeakPolarHBondContact O-CB 3.39Å; R326-A329 PolarHBondContact O-N 3.15Å; R326-A329 VanDerWaalsContact O-N 3.15Å
327T96.4Very high94.5Very high1 Ų175.5 Ų75.51%0.00637%0.367CS..G310 helixtrans-58.6-39.5177.8-45.80000111.7C111 I112 I115 Q138 I140 A329C111-T327 HydrophobicContact CB-CG2 4.11Å; C111-T327 WeakPolarHBondContact CB-OG1 3.43Å; I112-T327 HydrophobicContact CG1-CG2 3.89Å; I115-T327 HydrophobicContact CD1-CG2 4.37Å; Q138-T327 PolarHBondContact OE1-OG1 3.15Å; I140-T327 HydrophobicContact CD1-CG2 4.1Å; I140-T327 HydrophobicContact CG2-CG2 4.47Å; T327-A329 PolarHBondContact O-N 2.84Å
328D95.7Very high94.4Very high43 Ų4371.1 Ų71.123%0.2335%0.349CS..G310 helixtrans-79.63.4-179.759.87.7000114.5R146 Y147 R326 V330R146-D328 WeakPolarHBondContact CD-O 3.37Å; R146-D328 PolarHBondContact NH1-O 2.7Å; Y147-D328 VanDerWaalsContact O-CA 3.3Å; Y147-D328 WeakPolarHBondContact O-CA 3.4Å; Y147-D328 WeakPolarHBondContact O-CB 3.16Å; Y147-D328 PolarHBondContact O-N 3.27Å; R326-D328 VanDerWaalsContact C-N 3.26Å; R326-D328 WeakPolarHBondContact CB-OD1 3.31Å; R326-D328 IonicContact CZ-OD1 3.79Å; R326-D328 IonicContact CZ-OD2 3.49Å; R326-D328 IonicContact NE-OD1 2.96Å; R326-D328 PolarHBondContact NE-OD1 3.34Å; R326-D328 IonicContact NE-OD2 3.34Å; R326-D328 PolarHBondContact NE-OD2 3.04Å; R326-D328 IonicContact NH2-OD1 3.8Å; R326-D328 IonicContact NH2-OD2 2.78Å; R326-D328 PolarHBondContact NH2-OD2 3.32Å; R326-D328 PolarHBondContact O-N 3.38Å; D328-V330 VanDerWaalsContact C-N 3.33Å
329A96Very high94.4Very high53 Ų5370.8 Ų70.844%0.43835%0.347SS..G310 helixtrans-85.6-4.717700000113.5Y325 R326 T327Y325-A329 HydrophobicContact CD2-CB 4.12Å; Y325-A329 HydrophobicContact CE2-CB 3.96Å; R326-A329 HydrophobicContact CB-CB 4.38Å; R326-A329 VanDerWaalsContact O-CB 3.26Å; R326-A329 WeakPolarHBondContact O-CB 3.39Å; R326-A329 PolarHBondContact O-N 3.15Å; R326-A329 VanDerWaalsContact O-N 3.15Å; T327-A329 PolarHBondContact O-N 2.84Å
330V96Very high94.4Very high13 Ų1374.8 Ų74.88%0.07937%0.366CS..SBendtrans-111.7125.6-178.1-171.10000109.9N109 I112 Y325 D328 A332 W334N109-V330 HydrophobicContact CB-CG2 3.9Å; I112-V330 HydrophobicContact CD1-CB 3.47Å; I112-V330 VanDerWaalsContact CD1-CB 3.47Å; I112-V330 HydrophobicContact CD1-CG1 3.96Å; I112-V330 HydrophobicContact CD1-CG2 3.7Å; Y325-V330 HydrophobicContact CE1-CG2 4.18Å; Y325-V330 HydrophobicContact CE2-CG2 3.95Å; Y325-V330 WeakPolarHBondContact OH-CG2 3.41Å; D328-V330 VanDerWaalsContact C-N 3.33Å; V330-A332 PolarHBondContact O-N 2.66Å; V330-W334 HydrophobicContact CG1-CH2 4.12Å; V330-W334 HydrophobicContact CG1-CZ3 4.46Å
331D95.8Very high94.3Very high81 Ų8174.1 Ų74.143%0.43336%0.357SS..BIsolated β-bridgetrans-74111.8165.4-63.4-52.1000108.5R146 I333R146-D331 IonicContact CZ-OD1 3.14Å; R146-D331 IonicContact NE-OD1 2.68Å; R146-D331 PolarHBondContact NE-OD1 3.13Å; R146-D331 IonicContact NH2-OD1 2.79Å; R146-D331 PolarHBondContact NH2-OD1 2.95Å; R146-D331 IonicContact NH2-OD2 3.41Å; R146-D331 PolarHBondContact NH2-OD2 2.84Å; D331-I333 HydrophobicContact CB-CG2 3.9Å; D331-I333 PolarHBondContact O-N 3.32Å
332A96.1Very high94.1Very high0 Ų077.2 Ų77.20%037%0.37CS..  trans-86.464.2179.900000110F142 G145 Y147 V330 W334 R335F142-A332 HydrophobicContact CE2-CB 3.9Å; G145-A332 PolarHBondContact O-N 2.93Å; Y147-A332 HydrophobicContact CD2-CB 4.14Å; Y147-A332 HydrophobicContact CE2-CB 4.02Å; V330-A332 PolarHBondContact O-N 2.66Å; A332-W334 HydrophobicContact CB-CD2 4.27Å; A332-W334 HydrophobicContact CB-CE3 4.47Å; A332-W334 HydrophobicContact CB-CH2 3.8Å; A332-W334 HydrophobicContact CB-CZ2 3.54Å; A332-W334 HydrophobicContact CB-CZ3 4.24Å; A332-W334 PolarHBondContact O-N 2.77Å; A332-R335 PolarHBondContact O-N 3.35Å
333I95.4Very high93.8Very high98 Ų9879.5 Ų79.550%0.50337%0.374SS..THydrogen-bonded Turntrans-65-6.7-17463164.4000114.6A310 L312 D331A310-I333 HydrophobicContact CB-CD1 4.05Å; A310-I333 HydrophobicContact CB-CG1 3.93Å; L312-I333 HydrophobicContact CD1-CD1 4.09Å; L312-I333 HydrophobicContact CD1-CG1 4.01Å; L312-I333 HydrophobicContact CD2-CD1 3.72Å; L312-I333 HydrophobicContact CG-CD1 3.81Å; L312-I333 HydrophobicContact CG-CG1 4.28Å; D331-I333 HydrophobicContact CB-CG2 3.9Å; D331-I333 PolarHBondContact O-N 3.32Å
334W95.1Very high93.5Very high43 Ų4376.4 Ų76.416%0.16336%0.36CS..THydrogen-bonded Turntrans-82.7-0.3171.759.386.8000112.8I112 E116 T303 L306 M307 A310 L312 V330 A332I112-W334 HydrophobicContact CG2-CH2 4.23Å; I112-W334 HydrophobicContact CG2-CZ2 3.76Å; E116-W334 PolarHBondContact OE1-NE1 2.92Å; T303-W334 HydrophobicContact CG2-CZ2 4.45Å; L306-W334 HydrophobicContact CB-CB 4.14Å; L306-W334 HydrophobicContact CB-CD2 4.17Å; L306-W334 HydrophobicContact CB-CG 3.78Å; M307-W334 HydrophobicContact CG-CE3 3.83Å; M307-W334 HydrophobicContact CG-CH2 3.91Å; M307-W334 HydrophobicContact CG-CZ3 3.43Å; M307-W334 VanDerWaalsContact CG-CZ3 3.43Å; M307-W334 HydrophobicContact SD-CH2 4.44Å; M307-W334 HydrophobicContact SD-CZ3 4.35Å; A310-W334 HydrophobicContact CB-CB 4.01Å; L312-W334 HydrophobicContact CD1-CE3 4.33Å; L312-W334 HydrophobicContact CD1-CZ3 4.08Å; V330-W334 HydrophobicContact CG1-CH2 4.12Å; V330-W334 HydrophobicContact CG1-CZ3 4.46Å; A332-W334 HydrophobicContact CB-CD2 4.27Å; A332-W334 HydrophobicContact CB-CE3 4.47Å; A332-W334 HydrophobicContact CB-CH2 3.8Å; A332-W334 HydrophobicContact CB-CZ2 3.54Å; A332-W334 HydrophobicContact CB-CZ3 4.24Å; A332-W334 PolarHBondContact O-N 2.77Å
335R93Very high93.3Very high31 Ų3164.8 Ų64.812%0.11732%0.322CS..  trans-117133.8179.2-69.1-160.559.2165.70.2111.8R119 K125 F142 Y147 A332R119-R335 VanDerWaalsContact NH2-CZ 3.26Å; R119-R335 VanDerWaalsContact NH2-NH2 3.13Å; K125-R335 PolarHBondContact O-NH2 3.3Å; F142-R335 HydrophobicContact CE1-CB 3.88Å; F142-R335 HydrophobicContact CE2-CB 3.88Å; F142-R335 HydrophobicContact CE2-CG 4.5Å; F142-R335 HydrophobicContact CZ-CB 3.45Å; F142-R335 VanDerWaalsContact CZ-CB 3.45Å; F142-R335 HydrophobicContact CZ-CG 4.48Å; Y147-R335 VanDerWaalsContact OH-CD 3.22Å; Y147-R335 WeakPolarHBondContact OH-CD 3.37Å; Y147-R335 PolarHBondContact OH-NH1 3.21Å; A332-R335 PolarHBondContact O-N 3.35Å
336D86.2Confident93Very high150 Ų15067.2 Ų67.280%0.80234%0.337SS*.  trans-81.2156.9161.2-58.9-42.6000110F142F142-D336 WeakPolarHBondContact CE1-O 3.49Å
337E73.9Confident92.7Very high185 Ų18563.5 Ų63.586%0.86433%0.33SS*.  trans-65.40173.4-71.3-164.415100112.9S144S144-E337 WeakPolarHBondContact CA-OE1 3.39Å; S144-E337 PolarHBondContact N-OE1 3.45Å

Retrieved 337 of 337 residues in 1740.6 ms (Link to these results)

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