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Elongator complex protein 6

Component of the elongator complex which is required for multiple tRNA modifications, including mcm5U (5-methoxycarbonylmethyl uridine), mcm5s2U (5-methoxycarbonylmethyl-2-thiouridine), and ncm5U (5-carbamoylmethyl uridine). The elongator complex catalyzes formation of carboxymethyluridine in the wobble base at position 34 in tRNAs. Involved in cell migration.

AlphaFold DB , UniProt , Accession A0A096NWB2, Species PAPAN (Papio anubis, Olive baboon), Gene ELP6, Length 266 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
1M89.3Confident90.7Very high47 Ų4752 Ų5223%0.23228%0.278CS..  0150.6069.9-176.9-173.800107.9P13 S40 F41 K44M1-P13 HydrophobicContact CE-CG 3.95Å; M1-P13 HydrophobicContact SD-CG 3.78Å; M1-S40 VanDerWaalsContact N-CB 3.31Å; M1-S40 PolarHBondContact N-OG 2.93Å; M1-F41 HydrophobicContact CB-CB 4.33Å; M1-F41 HydrophobicContact SD-CD2 4.31Å; M1-K44 HydrophobicContact CE-CD 4.2Å; M1-K44 HydrophobicContact CG-CD 4.31Å; M1-K44 HydrophobicContact SD-CD 3.99Å
2F92.3Very high90.3Very high15 Ų1552.3 Ų52.37%0.06628%0.284CS..  trans-99.7118.6-178-53-54.2000110.1E4 L5 N6 F33 H37 L68 V254F2-E4 PolarHBondContact O-N 2.78Å; F2-L5 HydrophobicContact CB-CB 4.17Å; F2-L5 PolarHBondContact O-N 3.34Å; F2-N6 PolarHBondContact O-N 3.15Å; F2-F33 HydrophobicContact CD2-CD2 4.27Å; F2-F33 HydrophobicContact CE2-CB 4.12Å; F2-F33 AromaticContact CE2-CD2 3.84Å; F2-F33 HydrophobicContact CE2-CD2 3.84Å; F2-F33 HydrophobicContact CE2-CG 4.49Å; F2-F33 VanDerWaalsContact CE2-O 3.31Å; F2-F33 WeakPolarHBondContact CE2-O 3.33Å; F2-F33 HydrophobicContact CZ-CB 4.46Å; F2-H37 HydrophobicContact CD2-CB 3.71Å; F2-H37 AromaticContact CD2-ND1 3.71Å; F2-H37 HydrophobicContact CE2-CB 3.95Å; F2-H37 AromaticContact CG-ND1 3.99Å; F2-H37 PolarHBondContact N-ND1 3.41Å; F2-H37 PolarHBondContact O-CE1 3.06Å; F2-H37 VanDerWaalsContact O-CE1 3.29Å; F2-L68 HydrophobicContact CD1-CD2 4.14Å; F2-L68 HydrophobicContact CE1-CD2 3.49Å; F2-L68 VanDerWaalsContact CE1-CD2 3.49Å; F2-L68 HydrophobicContact CZ-CD1 4.45Å; F2-L68 HydrophobicContact CZ-CD2 4.06Å; F2-V254 HydrophobicContact CD1-CB 4.39Å; F2-V254 HydrophobicContact CD1-CG2 3.97Å; F2-V254 HydrophobicContact CD2-CB 4.24Å; F2-V254 HydrophobicContact CD2-CG2 3.77Å; F2-V254 HydrophobicContact CE1-CG2 3.78Å; F2-V254 HydrophobicContact CE2-CG2 3.6Å; F2-V254 HydrophobicContact CG-CB 4.18Å; F2-V254 HydrophobicContact CG-CG2 3.97Å; F2-V254 HydrophobicContact CZ-CG2 3.61Å
3V90.7Very high89.7Confident94 Ų9450 Ų5057%0.5727%0.273SS*.Hα-helixtrans-65.1-40.9-175.2-179.90000111.6L5 N6 N7V3-L5 VanDerWaalsContact C-N 3.32Å; V3-L5 PolarHBondContact O-N 3.39Å; V3-N6 WeakPolarHBondContact O-CB 3.28Å; V3-N6 PolarHBondContact O-N 3.3Å; V3-N7 PolarHBondContact O-N 2.91Å
4E92.3Very high89.1Confident75 Ų7557.1 Ų57.135%0.3531%0.31SS..Hα-helixtrans-61.5-40.6178.2-67.3-174.3-142.200112.1F2 N6 N7 L8 S255 F256F2-E4 PolarHBondContact O-N 2.78Å; E4-N6 PolarHBondContact O-N 3.47Å; E4-N7 WeakPolarHBondContact O-CB 3.47Å; E4-N7 PolarHBondContact O-N 3.04Å; E4-L8 WeakPolarHBondContact O-CG 3.4Å; E4-L8 PolarHBondContact O-N 3.46Å; E4-S255 PolarHBondContact OE1-OG 3.24Å; E4-S255 VanDerWaalsContact OE2-CA 3.27Å; E4-S255 WeakPolarHBondContact OE2-CA 3.36Å; E4-F256 HydrophobicContact CB-CD2 3.74Å; E4-F256 HydrophobicContact CB-CE2 4.26Å; E4-F256 PolarHBondContact OE2-N 3.09Å
5L93.5Very high88.4Confident0 Ų067.4 Ų67.40%034%0.343CS..Hα-helixtrans-64.7-40176-175.556.4000111.7F2 V3 N7 L8 L9 L34 H37 L225 F256F2-L5 HydrophobicContact CB-CB 4.17Å; F2-L5 PolarHBondContact O-N 3.34Å; V3-L5 VanDerWaalsContact C-N 3.32Å; V3-L5 PolarHBondContact O-N 3.39Å; L5-N7 VanDerWaalsContact C-N 3.28Å; L5-N7 PolarHBondContact O-N 3.08Å; L5-L8 PolarHBondContact O-N 3.33Å; L5-L9 HydrophobicContact CD1-CD1 4.05Å; L5-L9 HydrophobicContact CD1-CG 4.03Å; L5-L9 HydrophobicContact CG-CD1 3.97Å; L5-L9 HydrophobicContact CG-CG 4.34Å; L5-L9 WeakPolarHBondContact O-CB 3.19Å; L5-L9 VanDerWaalsContact O-CG 3.27Å; L5-L9 WeakPolarHBondContact O-CG 3.45Å; L5-L9 PolarHBondContact O-N 2.92Å; L5-L34 HydrophobicContact CD2-CD2 3.63Å; L5-H37 HydrophobicContact CD2-CB 4.3Å; L5-L225 HydrophobicContact CD1-CD2 3.74Å; L5-F256 HydrophobicContact CB-CE2 3.79Å; L5-F256 HydrophobicContact CB-CZ 3.99Å; L5-F256 HydrophobicContact CD1-CE1 4.47Å; L5-F256 HydrophobicContact CD1-CZ 4.04Å; L5-F256 HydrophobicContact CD2-CZ 4.49Å; L5-F256 HydrophobicContact CG-CZ 4.4Å
6N91.9Very high88.1Confident8 Ų864.1 Ų64.14%0.04333%0.329CS..Hα-helixtrans-57.9-42.7173.7-76.8-9.7000111.8F2 V3 E4 L9 N10 T11 H37F2-N6 PolarHBondContact O-N 3.15Å; V3-N6 WeakPolarHBondContact O-CB 3.28Å; V3-N6 PolarHBondContact O-N 3.3Å; E4-N6 PolarHBondContact O-N 3.47Å; N6-L9 CarbonylContact O-C 3.56Å; N6-L9 PolarHBondContact O-N 2.87Å; N6-N10 PolarHBondContact O-N 2.97Å; N6-T11 WeakPolarHBondContact CB-O 3.33Å; N6-T11 PolarHBondContact O-N 3.05Å; N6-H37 PolarHBondContact OD1-CE1 3.29Å; N6-H37 PolarHBondContact OD1-NE2 3.41Å
7N91.3Very high88Confident105 Ų10568 Ų6856%0.56135%0.345SS*.Hα-helixtrans-64.3-43.9177.7-64.9-19.7000111.4V3 E4 L5 L9 N10V3-N7 PolarHBondContact O-N 2.91Å; E4-N7 WeakPolarHBondContact O-CB 3.47Å; E4-N7 PolarHBondContact O-N 3.04Å; L5-N7 VanDerWaalsContact C-N 3.28Å; L5-N7 PolarHBondContact O-N 3.08Å; N7-L9 VanDerWaalsContact C-N 3.27Å; N7-L9 PolarHBondContact O-N 3.33Å; N7-N10 PolarHBondContact O-N 3.43Å; N7-N10 VanDerWaalsContact O-N 3.16Å; N7-N10 PolarHBondContact O-OD1 3.42Å
8L90.6Very high88.3Confident32 Ų3269.7 Ų69.717%0.16835%0.352CS..Hα-helixtrans-61.7-36.3175.8-67.9-176.1000112.6E4 L5 N10 I227 Y245 F256E4-L8 WeakPolarHBondContact O-CG 3.4Å; E4-L8 PolarHBondContact O-N 3.46Å; L5-L8 PolarHBondContact O-N 3.33Å; L8-N10 VanDerWaalsContact C-N 3.31Å; L8-I227 HydrophobicContact CB-CD1 4.06Å; L8-I227 HydrophobicContact CD1-CD1 4.32Å; L8-Y245 HydrophobicContact CD1-CD2 3.82Å; L8-Y245 HydrophobicContact CD1-CE2 4.06Å; L8-Y245 HydrophobicContact CD1-CG 4.06Å; L8-Y245 HydrophobicContact CD2-CD1 4.36Å; L8-Y245 HydrophobicContact CD2-CD2 4.28Å; L8-Y245 HydrophobicContact CD2-CE1 3.84Å; L8-Y245 HydrophobicContact CD2-CE2 3.73Å; L8-Y245 VanDerWaalsContact CD2-CZ 3.49Å; L8-Y245 HydrophobicContact CG-CE2 4.4Å; L8-F256 HydrophobicContact CD1-CB 3.69Å; L8-F256 HydrophobicContact CD1-CD1 3.84Å; L8-F256 HydrophobicContact CD1-CD2 4.05Å; L8-F256 HydrophobicContact CD1-CE1 4.5Å; L8-F256 HydrophobicContact CD1-CG 3.58Å
9L90.4Very high88.6Confident15 Ų1567.1 Ų67.18%0.07934%0.344CS..THydrogen-bonded Turntrans-84.5-4.7179-62-178.8000113.5L5 N6 N7 T11 F38 L206 L208 I227 W229L5-L9 HydrophobicContact CD1-CD1 4.05Å; L5-L9 HydrophobicContact CD1-CG 4.03Å; L5-L9 HydrophobicContact CG-CD1 3.97Å; L5-L9 HydrophobicContact CG-CG 4.34Å; L5-L9 WeakPolarHBondContact O-CB 3.19Å; L5-L9 VanDerWaalsContact O-CG 3.27Å; L5-L9 WeakPolarHBondContact O-CG 3.45Å; L5-L9 PolarHBondContact O-N 2.92Å; N6-L9 CarbonylContact O-C 3.56Å; N6-L9 PolarHBondContact O-N 2.87Å; N7-L9 VanDerWaalsContact C-N 3.27Å; N7-L9 PolarHBondContact O-N 3.33Å; L9-T11 HydrophobicContact CB-CG2 3.71Å; L9-T11 HydrophobicContact CD1-CG2 4.42Å; L9-T11 PolarHBondContact O-N 3.14Å; L9-F38 HydrophobicContact CD1-CZ 4.19Å; L9-L206 HydrophobicContact CD1-CD2 4.39Å; L9-L206 HydrophobicContact CD2-CD1 4.34Å; L9-L206 HydrophobicContact CD2-CD2 4.12Å; L9-L208 HydrophobicContact CD1-CD1 4.27Å; L9-L208 HydrophobicContact CD2-CD2 3.82Å; L9-I227 HydrophobicContact CD2-CD1 4.09Å; L9-I227 HydrophobicContact CD2-CG2 3.78Å; L9-W229 HydrophobicContact CD2-CZ2 4.02Å
10N87.4Confident89Confident152 Ų15266.5 Ų66.581%0.81334%0.339SS*.THydrogen-bonded Turntrans48.738.4-171.1-63.8-59.5000112.8N6 N7 L8N6-N10 PolarHBondContact O-N 2.97Å; N7-N10 PolarHBondContact O-N 3.43Å; N7-N10 VanDerWaalsContact O-N 3.16Å; N7-N10 PolarHBondContact O-OD1 3.42Å; L8-N10 VanDerWaalsContact C-N 3.31Å
11T87.5Confident89.4Confident29 Ų2963.3 Ų63.318%0.17832%0.323CS..  trans-121.4151.4-176.7-168.20000111.5N6 L9 F41N6-T11 WeakPolarHBondContact CB-O 3.33Å; N6-T11 PolarHBondContact O-N 3.05Å; L9-T11 HydrophobicContact CB-CG2 3.71Å; L9-T11 HydrophobicContact CD1-CG2 4.42Å; L9-T11 PolarHBondContact O-N 3.14Å; T11-F41 HydrophobicContact CG2-CE2 4.02Å; T11-F41 HydrophobicContact CG2-CZ 4.3Å
12T86.2Confident89.8Confident56 Ų5661.5 Ų61.534%0.34431%0.314SS..  trans-139.8153.6173.4550000109D14 R15 A16 F41T12-D14 PolarHBondContact O-N 3.44Å; T12-D14 VanDerWaalsContact O-N 3.08Å; T12-R15 PolarHBondContact O-N 3.42Å; T12-R15 WeakPolarHBondContact OG1-CB 3.45Å; T12-A16 PolarHBondContact O-N 3.03Å; T12-F41 WeakPolarHBondContact O-CZ 3.44Å
13P83.2Confident90Very high22 Ų2260.8 Ų60.814%0.14331%0.311CS..G310 helixtrans-49.2-35.8178-31.438000113.8M1 F41 A45M1-P13 HydrophobicContact CE-CG 3.95Å; M1-P13 HydrophobicContact SD-CG 3.78Å; P13-F41 HydrophobicContact CG-CD2 4.1Å; P13-F41 HydrophobicContact CG-CE2 4Å; P13-A45 HydrophobicContact CB-CB 3.79Å; P13-A45 WeakPolarHBondContact O-CB 3.31Å
14D80.4Confident90.4Very high149 Ų14956.3 Ų56.380%0.79728%0.284SS*.G310 helixtrans-82.9-12.3-176.9-51.6-51.1000114.3T12T12-D14 PolarHBondContact O-N 3.44Å; T12-D14 VanDerWaalsContact O-N 3.08Å
15R79.3Confident90.6Very high212 Ų21252.9 Ų52.980%0.827%0.269SS*.G310 helixtrans-128.517.2-172.1-59.1-175.9179-176-0113.9T12 E17T12-R15 PolarHBondContact O-N 3.42Å; T12-R15 WeakPolarHBondContact OG1-CB 3.45Å; R15-E17 PolarHBondContact O-N 3.2Å
16A83.3Confident90.6Very high15 Ų1553.4 Ų53.412%0.12427%0.271CS..PPolyproline II helixtrans-64130.1179.800000110.9T12 F41 Y138T12-A16 PolarHBondContact O-N 3.03Å; A16-F41 HydrophobicContact CB-CE1 3.93Å; A16-F41 HydrophobicContact CB-CZ 3.99Å; A16-Y138 VanDerWaalsContact CB-OH 3.29Å; A16-Y138 WeakPolarHBondContact CB-OH 3.22Å
17E86.8Confident90.6Very high130 Ų13053.5 Ų53.561%0.60727%0.273SS*.PPolyproline II helixtrans-65140.1172.9-64.7-174178.900110.4R15 K20 N177R15-E17 PolarHBondContact O-N 3.2Å; E17-K20 HydrophobicContact CB-CG 4.07Å; E17-K20 WeakPolarHBondContact OE2-CE 3.21Å; E17-K20 IonicContact OE2-NZ 3.98Å; E17-K20 PolarHBondContact OE2-NZ 3.27Å; E17-N177 PolarHBondContact O-ND2 3.45Å; E17-N177 PolarHBondContact O-OD1 2.9Å
18Q92.8Very high90.5Very high98 Ų9857.3 Ų57.346%0.45829%0.285SS..SBendtrans-93.7159.4179.1-75.9174.930.100112Y138 K175 N177Q18-Y138 HydrophobicContact CG-CD1 3.8Å; Q18-Y138 HydrophobicContact CG-CE1 4.08Å; Q18-Y138 HydrophobicContact CG-CG 4.07Å; Q18-K175 VanDerWaalsContact CB-O 3.28Å; Q18-K175 WeakPolarHBondContact CB-O 3.41Å; Q18-K175 WeakPolarHBondContact CG-O 3.4Å; Q18-K175 PolarHBondContact OE1-O 3.09Å; Q18-N177 WeakPolarHBondContact CA-OD1 3.31Å
19G94.8Very high90.5Very high20 Ų2057.5 Ų57.521%0.20629%0.287CS..SBendtrans75.423177.900000114C171 G176 N177G19-C171 WeakPolarHBondContact CA-O 3.32Å; G19-G176 WeakPolarHBondContact CA-O 3.49Å; G19-G176 PolarHBondContact N-O 3.04Å; G19-N177 PolarHBondContact N-OD1 3.01Å
20K95.3Very high90.4Very high56 Ų5661.4 Ų61.424%0.24331%0.308CS..  trans-105.8142-174.4-57.3-63.8176146.20112.3E17 N177 M178 H205E17-K20 HydrophobicContact CB-CG 4.07Å; E17-K20 WeakPolarHBondContact OE2-CE 3.21Å; E17-K20 IonicContact OE2-NZ 3.98Å; E17-K20 PolarHBondContact OE2-NZ 3.27Å; K20-N177 PolarHBondContact N-OD1 2.9Å; K20-N177 CarbonylContact O-C 3.55Å; K20-N177 WeakPolarHBondContact O-CA 3.49Å; K20-M178 PolarHBondContact O-N 3.17Å; K20-H205 HydrophobicContact CD-CB 4Å
21L97.3Very high90.5Very high0 Ų054.1 Ų54.10%027%0.269CS..EExtended strand (participates in β ladder)trans-104.6121.3165.4172.660.8000108.9I163 M178 I180 Q203 H205L21-I163 HydrophobicContact CD2-CG2 4.47Å; L21-M178 WeakPolarHBondContact CA-O 3.25Å; L21-M178 HydrophobicContact CB-CB 4.44Å; L21-M178 HydrophobicContact CD1-CB 3.52Å; L21-M178 HydrophobicContact CD1-CE 4.19Å; L21-I180 HydrophobicContact CD1-CD1 3.81Å; L21-I180 HydrophobicContact CD1-CG1 3.94Å; L21-Q203 HydrophobicContact CD2-CB 3.86Å; L21-H205 PolarHBondContact N-ND1 2.85Å; L21-H205 VanDerWaalsContact N-ND1 3.15Å; L21-H205 PolarHBondContact O-N 2.89Å
22T97.8Very high90.8Very high8 Ų854 Ų545%0.04927%0.27CS..EExtended strand (participates in β ladder)trans-107.8124.5172.1-56.60000109.3L24 F38 M178 V179 I180 L206 L208T22-L24 HydrophobicContact CG2-CD2 4.05Å; T22-F38 HydrophobicContact CG2-CE2 4.31Å; T22-F38 HydrophobicContact CG2-CZ 4.07Å; T22-M178 PolarHBondContact N-O 2.89Å; T22-V179 WeakPolarHBondContact O-CA 3.27Å; T22-I180 PolarHBondContact O-N 3.04Å; T22-L206 CarbonylContact C-O 3.56Å; T22-L206 WeakPolarHBondContact CA-O 3.38Å; T22-L206 HydrophobicContact CG2-CB 4.08Å; T22-L206 HydrophobicContact CG2-CD2 3.84Å; T22-L206 HydrophobicContact CG2-CG 3.96Å; T22-L208 HydrophobicContact CG2-CD1 4.42Å
23L98.1Very high91.2Very high0 Ų051.8 Ų51.80%026%0.255CS..EExtended strand (participates in β ladder)trans-94.8129.3171.317264000109.5I180 V182 L197 V200 S201 S204 L206 I207 L208L23-I180 CarbonylContact C-O 3.55Å; L23-I180 WeakPolarHBondContact CA-O 3.32Å; L23-V182 HydrophobicContact CD1-CB 4.01Å; L23-V182 HydrophobicContact CD1-CG2 3.64Å; L23-L197 HydrophobicContact CD2-CD1 4.14Å; L23-V200 HydrophobicContact CB-CG1 4.47Å; L23-V200 HydrophobicContact CD1-CG1 3.85Å; L23-V200 HydrophobicContact CD2-CG1 4.41Å; L23-V200 HydrophobicContact CG-CG1 4.48Å; L23-S201 WeakPolarHBondContact CD2-OG 3.45Å; L23-S204 WeakPolarHBondContact CB-OG 3.42Å; L23-L206 PolarHBondContact N-O 3.44Å; L23-I207 HydrophobicContact CB-CG1 4.26Å; L23-I207 HydrophobicContact CB-CG2 4.44Å; L23-I207 HydrophobicContact CD2-CD1 4.34Å; L23-I207 HydrophobicContact CD2-CG1 4.39Å; L23-I207 HydrophobicContact CD2-CG2 4.09Å; L23-I207 HydrophobicContact CG-CG2 4.28Å; L23-I207 CarbonylContact O-C 3.58Å; L23-I207 WeakPolarHBondContact O-CA 3.34Å; L23-L208 PolarHBondContact O-N 3.11Å
24L98.3Very high91.9Very high0 Ų050.8 Ų50.80%025%0.249CC..EExtended strand (participates in β ladder)trans-100.8134.8164.8-43.9178.8000106.6T22 L34 V35 F38 V179 I180 L181 V182 L208T22-L24 HydrophobicContact CG2-CD2 4.05Å; L24-L34 HydrophobicContact CB-CD1 4.48Å; L24-L34 HydrophobicContact CD1-CB 3.79Å; L24-L34 HydrophobicContact CD2-CB 4.04Å; L24-L34 HydrophobicContact CD2-CD1 4.34Å; L24-L34 HydrophobicContact CG-CB 4.36Å; L24-V35 HydrophobicContact CD1-CG2 3.79Å; L24-F38 HydrophobicContact CD1-CD2 4.28Å; L24-F38 HydrophobicContact CD2-CD2 3.99Å; L24-F38 HydrophobicContact CD2-CE2 3.69Å; L24-V179 HydrophobicContact CD1-CG1 3.64Å; L24-V179 HydrophobicContact CD2-CG1 4.14Å; L24-V179 HydrophobicContact CG-CG1 3.81Å; L24-I180 PolarHBondContact N-O 3.15Å; L24-L181 HydrophobicContact CB-CB 3.96Å; L24-L181 HydrophobicContact CB-CD1 4.21Å; L24-L181 HydrophobicContact CB-CG 4.1Å; L24-L181 HydrophobicContact CD1-CB 4.44Å; L24-L181 CarbonylContact O-C 3.58Å; L24-L181 VanDerWaalsContact O-CA 3.24Å; L24-L181 WeakPolarHBondContact O-CA 3.48Å; L24-V182 PolarHBondContact O-N 3.33Å; L24-L208 WeakPolarHBondContact CA-O 3.22Å; L24-L208 HydrophobicContact CD2-CB 3.99Å; L24-L208 HydrophobicContact CD2-CD1 3.79Å; L24-L208 HydrophobicContact CD2-CG 4.25Å
25C95.6Very high92.7Very high4 Ų443.7 Ų43.73%0.02721%0.211CC..EExtended strand (participates in β ladder)trans-135.9136.5177.5171.10000107.4V182 L197 L208 R209 A210C25-V182 WeakPolarHBondContact CA-O 3.37Å; C25-L197 HydrophobicContact CB-CD1 4.25Å; C25-L208 PolarHBondContact N-O 3.18Å; C25-R209 HydrophobicContact CB-CB 4.42Å; C25-R209 HydrophobicContact CB-CG 4.07Å; C25-R209 CarbonylContact O-C 3.59Å; C25-R209 VanDerWaalsContact O-CA 3.27Å; C25-R209 WeakPolarHBondContact O-CA 3.37Å; C25-A210 PolarHBondContact O-N 3.17Å
26D94Very high93.6Very high10 Ų1034.1 Ų34.15%0.05318%0.175CC..EExtended strand (participates in β ladder)trans-126139.3171.956.67.3000111.9G31 H183 D184 A210D26-G31 WeakPolarHBondContact OD2-CA 3.29Å; D26-G31 PolarHBondContact OD2-N 2.84Å; D26-H183 WeakPolarHBondContact OD1-CA 3.25Å; D26-H183 IonicContact OD1-CE1 2.55Å; D26-H183 IonicContact OD1-CG 3.47Å; D26-H183 IonicContact OD1-ND1 2.87Å; D26-H183 PolarHBondContact OD1-ND1 3.24Å; D26-D184 WeakPolarHBondContact O-CB 3.26Å; D26-D184 PolarHBondContact O-N 3.46Å; D26-A210 CarbonylContact C-O 3.54Å; D26-A210 VanDerWaalsContact CA-O 3.22Å; D26-A210 WeakPolarHBondContact CA-O 3.22Å; D26-A210 HydrophobicContact CB-CB 4.27Å
27A93Very high94.3Very high10 Ų1033.4 Ų33.48%0.08317%0.169CC..EExtended strand (participates in β ladder)trans-137.3118.6-178.100000109T29 D184 A210 E211 G212A27-T29 PolarHBondContact O-N 2.67Å; A27-T29 VanDerWaalsContact O-N 3.09Å; A27-D184 HydrophobicContact CB-CB 4.04Å; A27-A210 PolarHBondContact N-O 2.84Å; A27-E211 CarbonylContact O-C 3.58Å; A27-E211 WeakPolarHBondContact O-CA 3.27Å; A27-G212 PolarHBondContact O-N 3.46Å
28K87.6Confident94.8Very high185 Ų18527.5 Ų27.580%0.80414%0.142SC*.SBendtrans5624.6179.5-55.1176.5-179.7178.20113.9
29T90.9Very high95.1Very high36 Ų3623 Ų2322%0.22112%0.121CC..SBendtrans-157.1167.7174.2-167.50000109A27 A210 Y247A27-T29 PolarHBondContact O-N 2.67Å; A27-T29 VanDerWaalsContact O-N 3.09Å; T29-A210 HydrophobicContact CG2-CB 3.92Å; T29-A210 WeakPolarHBondContact CG2-O 3.49Å; T29-Y247 WeakPolarHBondContact CG2-OH 3.41Å; T29-Y247 PolarHBondContact OG1-OH 3.29Å; T29-Y247 VanDerWaalsContact OG1-OH 3.04Å
30D88.2Confident95.2Very high97 Ų9722.1 Ų22.152%0.51911%0.111SC..  trans-91.6113.4175.3178.65.9000110.5S32D30-S32 WeakPolarHBondContact OD1-CB 3.21Å; D30-S32 PolarHBondContact OD1-N 2.6Å; D30-S32 PolarHBondContact OD1-OG 2.9Å; D30-S32 PolarHBondContact OD2-OG 2.83Å; D30-S32 VanDerWaalsContact OD2-OG 3.07Å
31G91Very high95.3Very high0 Ų019.5 Ų19.50%010%0.1CC..  trans-89.70.5177.300000114.8D26 F33 L34D26-G31 WeakPolarHBondContact OD2-CA 3.29Å; D26-G31 PolarHBondContact OD2-N 2.84Å; G31-F33 PolarHBondContact O-N 3.22Å; G31-L34 VanDerWaalsContact O-CB 3.32Å; G31-L34 WeakPolarHBondContact O-CB 3.32Å; G31-L34 PolarHBondContact O-N 3.33Å
32S92.8Very high95.3Very high27 Ų2720 Ų2019%0.18910%0.102CC..Hα-helixtrans-56.3-26.6-175.664.50000113.8D30 L34 V35 H36D30-S32 WeakPolarHBondContact OD1-CB 3.21Å; D30-S32 PolarHBondContact OD1-N 2.6Å; D30-S32 PolarHBondContact OD1-OG 2.9Å; D30-S32 PolarHBondContact OD2-OG 2.83Å; D30-S32 VanDerWaalsContact OD2-OG 3.07Å; S32-L34 PolarHBondContact O-N 3.33Å; S32-V35 WeakPolarHBondContact O-CA 3.2Å; S32-V35 WeakPolarHBondContact O-CB 3.02Å; S32-V35 PolarHBondContact O-N 3.01Å; S32-H36 PolarHBondContact O-CD2 2.94Å; S32-H36 PolarHBondContact O-N 3.47Å
33F95.7Very high95.3Very high9 Ų920.1 Ų20.14%0.03910%0.102CC..Hα-helixtrans-56.8-32.617479.6-87.1000112.2F2 G31 H36 H37 A210 Y247 I249 V254 F256F2-F33 HydrophobicContact CD2-CD2 4.27Å; F2-F33 HydrophobicContact CE2-CB 4.12Å; F2-F33 AromaticContact CE2-CD2 3.84Å; F2-F33 HydrophobicContact CE2-CD2 3.84Å; F2-F33 HydrophobicContact CE2-CG 4.49Å; F2-F33 VanDerWaalsContact CE2-O 3.31Å; F2-F33 WeakPolarHBondContact CE2-O 3.33Å; F2-F33 HydrophobicContact CZ-CB 4.46Å; G31-F33 PolarHBondContact O-N 3.22Å; F33-H36 PolarHBondContact O-N 3.31Å; F33-H37 WeakPolarHBondContact O-CB 3.33Å; F33-H37 PolarHBondContact O-N 3.43Å; F33-A210 HydrophobicContact CE1-CB 4.26Å; F33-Y247 HydrophobicContact CE1-CE1 4.42Å; F33-Y247 HydrophobicContact CE1-CE2 4.15Å; F33-Y247 HydrophobicContact CZ-CD1 4.48Å; F33-Y247 HydrophobicContact CZ-CE1 4.37Å; F33-Y247 HydrophobicContact CZ-CE2 4.45Å; F33-I249 HydrophobicContact CB-CD1 4.29Å; F33-I249 HydrophobicContact CD1-CD1 3.85Å; F33-I249 HydrophobicContact CE1-CD1 4.45Å; F33-I249 HydrophobicContact CG-CD1 4.14Å; F33-V254 HydrophobicContact CD2-CG1 4.48Å; F33-V254 HydrophobicContact CD2-CG2 3.91Å; F33-V254 HydrophobicContact CE2-CG1 4.25Å; F33-V254 HydrophobicContact CE2-CG2 4.46Å; F33-F256 HydrophobicContact CE2-CZ 4.27Å
34L97.6Very high95.2Very high0 Ų024.5 Ų24.50%012%0.121CC..Hα-helixtrans-67.8-40175.3-63.4172.7000111.3L5 L24 G31 S32 H37 F38 L208 A210 L225L5-L34 HydrophobicContact CD2-CD2 3.63Å; L24-L34 HydrophobicContact CB-CD1 4.48Å; L24-L34 HydrophobicContact CD1-CB 3.79Å; L24-L34 HydrophobicContact CD2-CB 4.04Å; L24-L34 HydrophobicContact CD2-CD1 4.34Å; L24-L34 HydrophobicContact CG-CB 4.36Å; G31-L34 VanDerWaalsContact O-CB 3.32Å; G31-L34 WeakPolarHBondContact O-CB 3.32Å; G31-L34 PolarHBondContact O-N 3.33Å; S32-L34 PolarHBondContact O-N 3.33Å; L34-H37 WeakPolarHBondContact O-CB 3.44Å; L34-H37 PolarHBondContact O-N 3.4Å; L34-F38 VanDerWaalsContact O-CD2 3.29Å; L34-F38 WeakPolarHBondContact O-CD2 3.31Å; L34-F38 PolarHBondContact O-N 2.94Å; L34-L208 HydrophobicContact CD1-CB 4.05Å; L34-L208 HydrophobicContact CD2-CD1 4.32Å; L34-A210 HydrophobicContact CD1-CB 4.35Å; L34-L225 HydrophobicContact CD1-CD1 4.05Å; L34-L225 HydrophobicContact CD2-CD1 4.36Å
35V97.9Very high95Very high0 Ų024.9 Ų24.90%012%0.124CC..Hα-helixtrans-60.6-48.1173.9-178.80000109.9L24 S32 H37 F38 L39 F51 Y61 L142 D144 L181L24-V35 HydrophobicContact CD1-CG2 3.79Å; S32-V35 WeakPolarHBondContact O-CA 3.2Å; S32-V35 WeakPolarHBondContact O-CB 3.02Å; S32-V35 PolarHBondContact O-N 3.01Å; V35-H37 VanDerWaalsContact C-N 3.28Å; V35-H37 PolarHBondContact O-N 3.22Å; V35-F38 PolarHBondContact O-N 3.37Å; V35-L39 WeakPolarHBondContact O-CB 3.28Å; V35-L39 PolarHBondContact O-N 3.27Å; V35-F51 HydrophobicContact CG1-CE2 4.16Å; V35-F51 HydrophobicContact CG1-CZ 3.7Å; V35-Y61 HydrophobicContact CG1-CE1 3.94Å; V35-L142 HydrophobicContact CG1-CD1 4.33Å; V35-L142 HydrophobicContact CG1-CD2 4.09Å; V35-L142 HydrophobicContact CG1-CG 4.34Å; V35-D144 HydrophobicContact CG1-CB 3.89Å; V35-D144 HydrophobicContact CG2-CB 4.33Å; V35-L181 HydrophobicContact CG2-CB 4.13Å; V35-L181 HydrophobicContact CG2-CD1 3.62Å
36H97.4Very high94.9Very high11 Ų1128.1 Ų28.15%0.05114%0.141CC..Hα-helixtrans-60.6-37.1175.9-68.4-62.3000112.9S32 F33 S40 H60 Y61 V64 L68S32-H36 PolarHBondContact O-CD2 2.94Å; S32-H36 PolarHBondContact O-N 3.47Å; F33-H36 PolarHBondContact O-N 3.31Å; H36-S40 VanDerWaalsContact O-CB 3.31Å; H36-S40 WeakPolarHBondContact O-CB 3.3Å; H36-S40 PolarHBondContact O-N 3.2Å; H36-S40 VanDerWaalsContact O-N 3.12Å; H36-H60 AromaticContact CE1-CD2 3.88Å; H36-H60 AromaticContact CE1-NE2 3.74Å; H36-H60 AromaticContact NE2-NE2 3.49Å; H36-H60 PolarHBondContact NE2-NE2 3.11Å; H36-Y61 AromaticContact CE1-CD1 3.26Å; H36-Y61 WeakPolarHBondContact CE1-CD1 3.49Å; H36-Y61 AromaticContact CE1-CE1 3.46Å; H36-Y61 VanDerWaalsContact CE1-CE1 3.46Å; H36-Y61 WeakPolarHBondContact CE1-CE1 3.12Å; H36-Y61 AromaticContact ND1-CD1 3.43Å; H36-Y61 WeakPolarHBondContact ND1-CD1 3.47Å; H36-Y61 AromaticContact ND1-CE1 3.75Å; H36-V64 HydrophobicContact CB-CG1 4.15Å; H36-L68 HydrophobicContact CB-CD1 3.83Å; H36-L68 WeakPolarHBondContact O-CD1 3.39Å
37H97.4Very high95Very high0 Ų027.6 Ų27.60%014%0.138CC..Hα-helixtrans-58.9-55.5174.3173.295.4000110.8F2 L5 N6 F33 L34 V35 S40 F41F2-H37 HydrophobicContact CD2-CB 3.71Å; F2-H37 AromaticContact CD2-ND1 3.71Å; F2-H37 HydrophobicContact CE2-CB 3.95Å; F2-H37 AromaticContact CG-ND1 3.99Å; F2-H37 PolarHBondContact N-ND1 3.41Å; F2-H37 PolarHBondContact O-CE1 3.06Å; F2-H37 VanDerWaalsContact O-CE1 3.29Å; L5-H37 HydrophobicContact CD2-CB 4.3Å; N6-H37 PolarHBondContact OD1-CE1 3.29Å; N6-H37 PolarHBondContact OD1-NE2 3.41Å; F33-H37 WeakPolarHBondContact O-CB 3.33Å; F33-H37 PolarHBondContact O-N 3.43Å; L34-H37 WeakPolarHBondContact O-CB 3.44Å; L34-H37 PolarHBondContact O-N 3.4Å; V35-H37 VanDerWaalsContact C-N 3.28Å; V35-H37 PolarHBondContact O-N 3.22Å; H37-S40 PolarHBondContact O-N 3.31Å; H37-F41 VanDerWaalsContact O-CB 3.27Å; H37-F41 WeakPolarHBondContact O-CB 3.45Å; H37-F41 PolarHBondContact O-N 2.94Å
38F98.1Very high95.2Very high7 Ų728.3 Ų28.33%0.03114%0.14CC..Hα-helixtrans-68.6-38.8-176.1-80.1-72.5000112.9L9 T22 L24 L34 V35 S40 F41 Y42 L142 V179 L208L9-F38 HydrophobicContact CD1-CZ 4.19Å; T22-F38 HydrophobicContact CG2-CE2 4.31Å; T22-F38 HydrophobicContact CG2-CZ 4.07Å; L24-F38 HydrophobicContact CD1-CD2 4.28Å; L24-F38 HydrophobicContact CD2-CD2 3.99Å; L24-F38 HydrophobicContact CD2-CE2 3.69Å; L34-F38 VanDerWaalsContact O-CD2 3.29Å; L34-F38 WeakPolarHBondContact O-CD2 3.31Å; L34-F38 PolarHBondContact O-N 2.94Å; V35-F38 PolarHBondContact O-N 3.37Å; F38-S40 VanDerWaalsContact C-N 3.33Å; F38-S40 PolarHBondContact O-N 3.05Å; F38-F41 WeakPolarHBondContact O-CB 3.4Å; F38-F41 PolarHBondContact O-N 3.03Å; F38-Y42 HydrophobicContact CB-CD2 4.3Å; F38-Y42 HydrophobicContact CB-CE2 4.26Å; F38-Y42 HydrophobicContact CD1-CD2 4.38Å; F38-Y42 AromaticContact CD1-CE2 3.69Å; F38-Y42 HydrophobicContact CD1-CE2 3.69Å; F38-Y42 HydrophobicContact CG-CE2 4.4Å; F38-Y42 WeakPolarHBondContact O-CD2 3.42Å; F38-Y42 PolarHBondContact O-N 3.44Å; F38-L142 HydrophobicContact CB-CD1 4.4Å; F38-V179 HydrophobicContact CB-CG1 4.11Å; F38-V179 HydrophobicContact CB-CG2 4.25Å; F38-V179 HydrophobicContact CD1-CG2 3.96Å; F38-V179 HydrophobicContact CD2-CG1 3.85Å; F38-V179 HydrophobicContact CE1-CG2 4.48Å; F38-V179 HydrophobicContact CE2-CG1 4.49Å; F38-V179 HydrophobicContact CG-CG1 3.95Å; F38-V179 HydrophobicContact CG-CG2 4Å; F38-L208 HydrophobicContact CE2-CD1 3.62Å; F38-L208 HydrophobicContact CZ-CD1 3.9Å
39L98.3Very high95.7Very high3 Ų319.6 Ų19.62%0.01610%0.102CC..Hα-helixtrans-55.7-51.1173179.660.3000110.7V35 F41 L43 V49 F51 Y61 L72 L81 L142V35-L39 WeakPolarHBondContact O-CB 3.28Å; V35-L39 PolarHBondContact O-N 3.27Å; L39-F41 VanDerWaalsContact C-N 3.34Å; L39-F41 PolarHBondContact O-N 3.39Å; L39-L43 HydrophobicContact CD1-CD1 3.91Å; L39-L43 HydrophobicContact CD1-CG 4.31Å; L39-L43 HydrophobicContact CG-CD1 4.11Å; L39-L43 WeakPolarHBondContact O-CB 3.06Å; L39-L43 VanDerWaalsContact O-CG 3.27Å; L39-L43 WeakPolarHBondContact O-CG 3.4Å; L39-L43 PolarHBondContact O-N 3.39Å; L39-L43 VanDerWaalsContact O-N 3.15Å; L39-V49 HydrophobicContact CD1-CG1 4.22Å; L39-F51 HydrophobicContact CD1-CD1 3.89Å; L39-F51 HydrophobicContact CD1-CE1 4.37Å; L39-F51 HydrophobicContact CD2-CD1 3.93Å; L39-F51 HydrophobicContact CD2-CE1 3.69Å; L39-F51 HydrophobicContact CG-CD1 4.49Å; L39-Y61 HydrophobicContact CD2-CD1 4.19Å; L39-L72 HydrophobicContact CD2-CD1 3.87Å; L39-L72 HydrophobicContact CD2-CD2 3.98Å; L39-L72 HydrophobicContact CG-CD2 4.27Å; L39-L81 HydrophobicContact CD1-CD1 4.3Å; L39-L142 HydrophobicContact CB-CD2 3.65Å; L39-L142 HydrophobicContact CD1-CD2 3.97Å; L39-L142 HydrophobicContact CG-CD2 4.32Å
40S97.4Very high96Very high1 Ų117.9 Ų17.91%0.0079%0.091CC..Hα-helixtrans-67.3-35.5179.2-178.90000112.5M1 H36 H37 F38 K44M1-S40 VanDerWaalsContact N-CB 3.31Å; M1-S40 PolarHBondContact N-OG 2.93Å; H36-S40 VanDerWaalsContact O-CB 3.31Å; H36-S40 WeakPolarHBondContact O-CB 3.3Å; H36-S40 PolarHBondContact O-N 3.2Å; H36-S40 VanDerWaalsContact O-N 3.12Å; H37-S40 PolarHBondContact O-N 3.31Å; F38-S40 VanDerWaalsContact C-N 3.33Å; F38-S40 PolarHBondContact O-N 3.05Å; S40-K44 WeakPolarHBondContact O-CB 3.49Å; S40-K44 VanDerWaalsContact O-CG 3.27Å; S40-K44 WeakPolarHBondContact O-CG 3.43Å; S40-K44 PolarHBondContact O-N 3.06Å
41F97.3Very high96.5Very high1 Ų113.2 Ų13.20%0.0047%0.067CC..Hα-helixtrans-61.1-53.8177.3176.4-86.2000111.2M1 T11 T12 P13 A16 H37 F38 L39 K44 A45M1-F41 HydrophobicContact CB-CB 4.33Å; M1-F41 HydrophobicContact SD-CD2 4.31Å; T11-F41 HydrophobicContact CG2-CE2 4.02Å; T11-F41 HydrophobicContact CG2-CZ 4.3Å; T12-F41 WeakPolarHBondContact O-CZ 3.44Å; P13-F41 HydrophobicContact CG-CD2 4.1Å; P13-F41 HydrophobicContact CG-CE2 4Å; A16-F41 HydrophobicContact CB-CE1 3.93Å; A16-F41 HydrophobicContact CB-CZ 3.99Å; H37-F41 VanDerWaalsContact O-CB 3.27Å; H37-F41 WeakPolarHBondContact O-CB 3.45Å; H37-F41 PolarHBondContact O-N 2.94Å; F38-F41 WeakPolarHBondContact O-CB 3.4Å; F38-F41 PolarHBondContact O-N 3.03Å; L39-F41 VanDerWaalsContact C-N 3.34Å; L39-F41 PolarHBondContact O-N 3.39Å; F41-K44 PolarHBondContact O-N 2.93Å; F41-A45 WeakPolarHBondContact O-CB 3.38Å; F41-A45 PolarHBondContact O-N 2.97Å
42Y97.6Very high96.9Very high10 Ų1013.3 Ų13.34%0.0397%0.067CC..Hα-helixtrans-72.4-33.5-175.2-73-63.1000113.4F38 K44 A45 N46 C47 Y138 V140 N177 V179F38-Y42 HydrophobicContact CB-CD2 4.3Å; F38-Y42 HydrophobicContact CB-CE2 4.26Å; F38-Y42 HydrophobicContact CD1-CD2 4.38Å; F38-Y42 AromaticContact CD1-CE2 3.69Å; F38-Y42 HydrophobicContact CD1-CE2 3.69Å; F38-Y42 HydrophobicContact CG-CE2 4.4Å; F38-Y42 WeakPolarHBondContact O-CD2 3.42Å; F38-Y42 PolarHBondContact O-N 3.44Å; Y42-K44 VanDerWaalsContact C-N 3.33Å; Y42-K44 PolarHBondContact O-N 3.35Å; Y42-A45 CarbonylContact O-C 3.56Å; Y42-A45 PolarHBondContact O-N 3.34Å; Y42-N46 PolarHBondContact O-N 2.86Å; Y42-C47 HydrophobicContact CD1-CB 4.46Å; Y42-C47 WeakPolarHBondContact O-CB 3.27Å; Y42-C47 PolarHBondContact O-N 3.1Å; Y42-Y138 HydrophobicContact CD1-CE2 4.17Å; Y42-Y138 HydrophobicContact CE1-CE2 4Å; Y42-V140 HydrophobicContact CD1-CG1 4.39Å; Y42-V140 HydrophobicContact CD1-CG2 3.57Å; Y42-V140 HydrophobicContact CD2-CG1 3.64Å; Y42-V140 HydrophobicContact CD2-CG2 4.32Å; Y42-V140 HydrophobicContact CE1-CG2 3.93Å; Y42-V140 HydrophobicContact CE2-CG1 3.86Å; Y42-V140 HydrophobicContact CG-CB 4.34Å; Y42-V140 HydrophobicContact CG-CG1 3.92Å; Y42-V140 HydrophobicContact CG-CG2 3.78Å; Y42-N177 HydrophobicContact CE1-CB 4.34Å; Y42-N177 PolarHBondContact OH-ND2 3.17Å; Y42-V179 HydrophobicContact CE2-CG2 3.67Å
43L96.8Very high97.1Very high12 Ų1212 Ų126%0.0636%0.058CC..Hα-helixtrans-63.8-40172.6-70.3175.4000111.6L39 A45 N46 V49 V70 L72 A75 Q80 L81L39-L43 HydrophobicContact CD1-CD1 3.91Å; L39-L43 HydrophobicContact CD1-CG 4.31Å; L39-L43 HydrophobicContact CG-CD1 4.11Å; L39-L43 WeakPolarHBondContact O-CB 3.06Å; L39-L43 VanDerWaalsContact O-CG 3.27Å; L39-L43 WeakPolarHBondContact O-CG 3.4Å; L39-L43 PolarHBondContact O-N 3.39Å; L39-L43 VanDerWaalsContact O-N 3.15Å; L43-A45 VanDerWaalsContact C-N 3.33Å; L43-N46 PolarHBondContact O-N 2.77Å; L43-V49 HydrophobicContact CD2-CB 4.35Å; L43-V49 HydrophobicContact CD2-CG2 3.88Å; L43-V49 HydrophobicContact CG-CG2 4.31Å; L43-V70 HydrophobicContact CB-CG1 4.27Å; L43-V70 HydrophobicContact CD1-CB 4.39Å; L43-V70 HydrophobicContact CD1-CG2 4.4Å; L43-L72 HydrophobicContact CD1-CD2 3.38Å; L43-A75 HydrophobicContact CD1-CB 4.44Å; L43-A75 HydrophobicContact CD2-CB 4Å; L43-Q80 HydrophobicContact CD2-CG 4Å; L43-Q80 PolarHBondContact O-NE2 3.21Å; L43-L81 HydrophobicContact CD2-CB 4.4Å
44K95.8Very high97.2Very high92 Ų9211.7 Ų11.740%0.46%0.057SC..Hα-helixtrans-70.5-28.2174.4-71.5-177.3-174.5-168.90112.9M1 S40 F41 Y42 N46 L68 G69 V70M1-K44 HydrophobicContact CE-CD 4.2Å; M1-K44 HydrophobicContact CG-CD 4.31Å; M1-K44 HydrophobicContact SD-CD 3.99Å; S40-K44 WeakPolarHBondContact O-CB 3.49Å; S40-K44 VanDerWaalsContact O-CG 3.27Å; S40-K44 WeakPolarHBondContact O-CG 3.43Å; S40-K44 PolarHBondContact O-N 3.06Å; F41-K44 PolarHBondContact O-N 2.93Å; Y42-K44 VanDerWaalsContact C-N 3.33Å; Y42-K44 PolarHBondContact O-N 3.35Å; K44-N46 PolarHBondContact O-N 3.24Å; K44-L68 WeakPolarHBondContact CE-O 3.42Å; K44-L68 PolarHBondContact NZ-O 2.55Å; K44-G69 WeakPolarHBondContact CE-O 3.37Å; K44-V70 HydrophobicContact CD-CG1 4.35Å; K44-V70 HydrophobicContact CG-CG1 3.82Å
45A94.8Very high97.1Very high7 Ų717 Ų176%0.0588%0.08CC..THydrogen-bonded Turntrans-75.79.8172.300000113.8P13 F41 Y42 L43 C47 T137P13-A45 HydrophobicContact CB-CB 3.79Å; P13-A45 WeakPolarHBondContact O-CB 3.31Å; F41-A45 WeakPolarHBondContact O-CB 3.38Å; F41-A45 PolarHBondContact O-N 2.97Å; Y42-A45 CarbonylContact O-C 3.56Å; Y42-A45 PolarHBondContact O-N 3.34Å; L43-A45 VanDerWaalsContact C-N 3.33Å; A45-C47 PolarHBondContact O-N 2.78Å; A45-T137 PolarHBondContact O-OG1 2.79Å
46N94.5Very high96.9Very high72 Ų7220 Ų2039%0.3859%0.094SC..THydrogen-bonded Turntrans55.531.8-177.6-165.552000113.7Y42 L43 K44 R135 W136 T137Y42-N46 PolarHBondContact O-N 2.86Å; L43-N46 PolarHBondContact O-N 2.77Å; K44-N46 PolarHBondContact O-N 3.24Å; N46-R135 PolarHBondContact ND2-O 3Å; N46-W136 WeakPolarHBondContact O-CA 3.35Å; N46-W136 VanDerWaalsContact OD1-CZ3 3.3Å; N46-W136 WeakPolarHBondContact OD1-CZ3 3.46Å; N46-T137 PolarHBondContact O-N 2.71Å; N46-T137 PolarHBondContact O-OG1 2.86Å
47C95.3Very high96.9Very high0 Ų021.8 Ų21.80%011%0.108CC..  trans-86152.5177.7-61.40000111.2Y42 A45 Q80 Y138 V140Y42-C47 HydrophobicContact CD1-CB 4.46Å; Y42-C47 WeakPolarHBondContact O-CB 3.27Å; Y42-C47 PolarHBondContact O-N 3.1Å; A45-C47 PolarHBondContact O-N 2.78Å; C47-Q80 WeakPolarHBondContact O-CG 3.42Å; C47-Q80 PolarHBondContact O-NE2 2.96Å; C47-Y138 WeakPolarHBondContact CA-O 3.38Å; C47-Y138 HydrophobicContact CB-CE2 4.44Å; C47-Y138 WeakPolarHBondContact CB-O 3.33Å; C47-Y138 WeakPolarHBondContact SG-CE2 3.23Å; C47-V140 HydrophobicContact CB-CG2 3.82Å
48K96.4Very high96.9Very high25 Ų2523.2 Ų23.211%0.10911%0.114CC..EExtended strand (participates in β ladder)trans-82.1122168.7-166.4-177.6-168-169.60108.2Q80 A125 K127 W136 Y138 P139 V140K48-Q80 CarbonylContact C-O 2.93Å; K48-Q80 WeakPolarHBondContact CA-O 3Å; K48-A125 WeakPolarHBondContact CE-O 3.35Å; K48-A125 PolarHBondContact NZ-O 2.9Å; K48-K127 PolarHBondContact NZ-O 3.02Å; K48-W136 HydrophobicContact CB-CB 3.94Å; K48-W136 HydrophobicContact CB-CG 3.78Å; K48-W136 HydrophobicContact CG-CG 4.41Å; K48-Y138 PolarHBondContact N-O 2.98Å; K48-Y138 VanDerWaalsContact N-O 3.16Å; K48-P139 CarbonylContact O-C 3.4Å; K48-P139 WeakPolarHBondContact O-CA 3.35Å; K48-V140 PolarHBondContact O-N 3.26Å
49V98.3Very high96.8Very high1 Ų126.2 Ų26.21%0.00614%0.136CC..EExtended strand (participates in β ladder)trans-113.4121.9-174.9-175.30000109.8L39 L43 F51 Q80 L81 V82 V140 L142L39-V49 HydrophobicContact CD1-CG1 4.22Å; L43-V49 HydrophobicContact CD2-CB 4.35Å; L43-V49 HydrophobicContact CD2-CG2 3.88Å; L43-V49 HydrophobicContact CG-CG2 4.31Å; V49-F51 HydrophobicContact CG1-CB 4.34Å; V49-Q80 PolarHBondContact N-O 2.95Å; V49-L81 HydrophobicContact CB-CD1 4Å; V49-L81 HydrophobicContact CG1-CD1 4.01Å; V49-L81 CarbonylContact O-C 3.56Å; V49-L81 WeakPolarHBondContact O-CA 3.38Å; V49-V82 PolarHBondContact O-N 3.3Å; V49-V140 CarbonylContact C-O 3.58Å; V49-V140 WeakPolarHBondContact CA-O 3.05Å; V49-V140 HydrophobicContact CG2-CB 4.33Å; V49-L142 HydrophobicContact CG1-CB 4.35Å
50C98.7Very high96.7Very high0 Ų029 Ų290%015%0.149CC..EExtended strand (participates in β ladder)trans-95.9111.1161.1-179.10000107.1V82 A125 L126 V140 L141 L142C50-V82 CarbonylContact C-O 3.59Å; C50-V82 WeakPolarHBondContact CA-O 3.4Å; C50-A125 HydrophobicContact CB-CB 4.02Å; C50-L126 HydrophobicContact CB-CD1 3.98Å; C50-L126 HydrophobicContact CB-CD2 3.51Å; C50-L126 HydrophobicContact CB-CG 3.6Å; C50-V140 PolarHBondContact N-O 2.93Å; C50-L141 HydrophobicContact CB-CD1 4.49Å; C50-L141 WeakPolarHBondContact O-CA 3.1Å; C50-L142 PolarHBondContact O-N 3.43Å
51F98.8Very high96.7Very high0 Ų029.2 Ų29.20%015%0.149CC..EExtended strand (participates in β ladder)trans-105.5107.7179.5-168.3-175.1000110V35 L39 V49 A53 Y61 L81 V82 F83 L84 L142 D144V35-F51 HydrophobicContact CG1-CE2 4.16Å; V35-F51 HydrophobicContact CG1-CZ 3.7Å; L39-F51 HydrophobicContact CD1-CD1 3.89Å; L39-F51 HydrophobicContact CD1-CE1 4.37Å; L39-F51 HydrophobicContact CD2-CD1 3.93Å; L39-F51 HydrophobicContact CD2-CE1 3.69Å; L39-F51 HydrophobicContact CG-CD1 4.49Å; V49-F51 HydrophobicContact CG1-CB 4.34Å; F51-A53 HydrophobicContact CD2-CB 4.24Å; F51-A53 HydrophobicContact CE1-CB 4.41Å; F51-A53 HydrophobicContact CE2-CB 4Å; F51-A53 HydrophobicContact CZ-CB 4.09Å; F51-A53 PolarHBondContact O-N 3.2Å; F51-Y61 AromaticContact CE1-CD1 3.67Å; F51-Y61 HydrophobicContact CE1-CD1 3.67Å; F51-Y61 AromaticContact CE1-CD2 3.78Å; F51-Y61 HydrophobicContact CE1-CD2 3.78Å; F51-Y61 AromaticContact CE1-CE1 3.8Å; F51-Y61 HydrophobicContact CE1-CE1 3.8Å; F51-Y61 AromaticContact CE1-CE2 3.81Å; F51-Y61 HydrophobicContact CE1-CE2 3.81Å; F51-Y61 AromaticContact CE1-CG 3.7Å; F51-Y61 HydrophobicContact CE1-CG 3.7Å; F51-Y61 AromaticContact CE1-CZ 3.88Å; F51-Y61 AromaticContact CZ-CD1 3.99Å; F51-Y61 HydrophobicContact CZ-CD1 3.99Å; F51-Y61 HydrophobicContact CZ-CD2 4.09Å; F51-Y61 AromaticContact CZ-CE1 3.6Å; F51-Y61 HydrophobicContact CZ-CE1 3.6Å; F51-Y61 AromaticContact CZ-CE2 3.62Å; F51-Y61 HydrophobicContact CZ-CE2 3.62Å; F51-Y61 HydrophobicContact CZ-CG 4.26Å; F51-Y61 AromaticContact CZ-CZ 3.41Å; F51-Y61 VanDerWaalsContact CZ-CZ 3.41Å; F51-L81 HydrophobicContact CB-CD1 3.88Å; F51-V82 PolarHBondContact N-O 3.06Å; F51-F83 HydrophobicContact CB-CD2 3.99Å; F51-F83 HydrophobicContact CB-CE2 4.39Å; F51-F83 AromaticContact CD1-CD2 3.64Å; F51-F83 HydrophobicContact CD1-CD2 3.64Å; F51-F83 AromaticContact CD1-CE2 3.28Å; F51-F83 HydrophobicContact CD1-CE2 3.28Å; F51-F83 HydrophobicContact CD1-CZ 4.23Å; F51-F83 HydrophobicContact CE1-CD2 4.46Å; F51-F83 AromaticContact CE1-CE2 3.66Å; F51-F83 HydrophobicContact CE1-CE2 3.66Å; F51-F83 HydrophobicContact CE1-CZ 4.35Å; F51-F83 HydrophobicContact CG-CD2 4.08Å; F51-F83 AromaticContact CG-CE2 3.98Å; F51-F83 HydrophobicContact CG-CE2 3.98Å; F51-F83 WeakPolarHBondContact O-CA 3.45Å; F51-L84 PolarHBondContact O-N 2.85Å; F51-L142 WeakPolarHBondContact CA-O 3.45Å; F51-L142 HydrophobicContact CD1-CD2 4.08Å; F51-L142 HydrophobicContact CD2-CB 3.84Å; F51-L142 HydrophobicContact CD2-CD2 3.79Å; F51-L142 HydrophobicContact CD2-CG 3.7Å; F51-L142 WeakPolarHBondContact CD2-O 3.28Å; F51-L142 HydrophobicContact CE1-CD2 4.04Å; F51-L142 HydrophobicContact CE2-CB 4.33Å; F51-L142 HydrophobicContact CE2-CD2 3.71Å; F51-L142 HydrophobicContact CE2-CG 3.67Å; F51-L142 HydrophobicContact CG-CB 4.3Å; F51-L142 HydrophobicContact CG-CD2 3.98Å; F51-L142 HydrophobicContact CG-CG 4.32Å; F51-L142 HydrophobicContact CZ-CD2 3.84Å; F51-L142 HydrophobicContact CZ-CG 4.28Å; F51-D144 HydrophobicContact CE2-CB 3.81Å; F51-D144 HydrophobicContact CZ-CB 3.98Å
52V98.5Very high96.7Very high1 Ų130.1 Ų30.11%0.00615%0.154CC..EExtended strand (participates in β ladder)trans-90.289.1170.4179.20000107.8L54 L84 L118 F121 V122 L141 L142 V143 D144V52-L54 HydrophobicContact CG1-CD2 3.88Å; V52-L54 HydrophobicContact CG1-CG 3.95Å; V52-L54 PolarHBondContact O-N 3.35Å; V52-L84 HydrophobicContact CG1-CD2 4.17Å; V52-L84 HydrophobicContact CG2-CD2 4.49Å; V52-L118 HydrophobicContact CG1-CD1 4.33Å; V52-F121 HydrophobicContact CG2-CE1 4.4Å; V52-V122 HydrophobicContact CG2-CG2 3.97Å; V52-L141 HydrophobicContact CG2-CD1 4.03Å; V52-L142 PolarHBondContact N-O 3.46Å; V52-V143 HydrophobicContact CB-CG2 4.3Å; V52-V143 HydrophobicContact CG1-CG1 4.5Å; V52-V143 WeakPolarHBondContact O-CA 3.46Å; V52-D144 PolarHBondContact O-N 3.35Å
53A97.9Very high96.7Very high1 Ų134.1 Ų34.11%0.00818%0.175CC..EExtended strand (participates in β ladder)trans-89.290.2178.700000109.3F51 Y61 F83 L84 G86 D144F51-A53 HydrophobicContact CD2-CB 4.24Å; F51-A53 HydrophobicContact CE1-CB 4.41Å; F51-A53 HydrophobicContact CE2-CB 4Å; F51-A53 HydrophobicContact CZ-CB 4.09Å; F51-A53 PolarHBondContact O-N 3.2Å; A53-Y61 HydrophobicContact CB-CD2 4.29Å; A53-Y61 HydrophobicContact CB-CE2 3.78Å; A53-F83 HydrophobicContact CB-CE1 3.59Å; A53-F83 HydrophobicContact CB-CE2 4.05Å; A53-F83 HydrophobicContact CB-CZ 3.25Å; A53-L84 PolarHBondContact N-O 2.82Å; A53-G86 PolarHBondContact O-N 3.06Å; A53-D144 WeakPolarHBondContact CA-OD1 3.47Å
54L96.8Very high96.6Very high2 Ų235.3 Ų35.31%0.0118%0.183CC..SBendtrans-69.7-37.2-178.7-66.2170.6000111.5V52 L87 V143 D144 D145 L146 V148 L149V52-L54 HydrophobicContact CG1-CD2 3.88Å; V52-L54 HydrophobicContact CG1-CG 3.95Å; V52-L54 PolarHBondContact O-N 3.35Å; L54-L87 WeakPolarHBondContact O-CG 3.46Å; L54-L87 PolarHBondContact O-N 3.16Å; L54-V143 HydrophobicContact CD1-CG1 3.86Å; L54-V143 HydrophobicContact CG-CG1 4.44Å; L54-D144 PolarHBondContact N-OD1 3.04Å; L54-D145 WeakPolarHBondContact CB-O 3.34Å; L54-D145 WeakPolarHBondContact CD1-O 3.24Å; L54-L146 HydrophobicContact CD1-CD1 4.47Å; L54-V148 HydrophobicContact CB-CB 4.1Å; L54-V148 HydrophobicContact CB-CG1 4.27Å; L54-V148 HydrophobicContact CB-CG2 4.46Å; L54-L149 HydrophobicContact CD1-CD1 4.06Å; L54-L149 HydrophobicContact CD1-CD2 4.31Å; L54-L149 HydrophobicContact CD1-CG 3.83Å; L54-L149 HydrophobicContact CD2-CD2 4.15Å
55F94.4Very high96.6Very high111 Ų11131 Ų3149%0.48717%0.165SC..SBendtrans-98.2-52.7-172-171.2-123.2000113.9L87 D144 D145 V148F55-L87 HydrophobicContact CD2-CD1 4Å; F55-D144 PolarHBondContact N-OD1 3.38Å; F55-D144 PolarHBondContact N-OD2 3.12Å; F55-D145 HydrophobicContact CB-CB 3.94Å; F55-V148 HydrophobicContact CB-CG2 4.14Å; F55-V148 HydrophobicContact CD2-CG2 4.1Å
56Q94.9Very high96.7Very high64 Ų6435.7 Ų35.730%0.29919%0.186SC..SBendtrans-101.6152.6-170.9-69-69-7.200113.8H60 Y61 D144Q56-H60 HydrophobicContact CB-CB 4.44Å; Q56-Y61 HydrophobicContact CB-CD2 4.11Å; Q56-Y61 HydrophobicContact CB-CE2 3.42Å; Q56-Y61 VanDerWaalsContact CB-CE2 3.42Å; Q56-D144 PolarHBondContact N-OD2 3.24Å
57S96.2Very high96.7Very high48 Ų4837.4 Ų37.434%0.33619%0.189SC..  trans-72.9159179.668.30000113.7S59 H60 Y61 E85S57-S59 PolarHBondContact O-N 3.04Å; S57-H60 WeakPolarHBondContact O-CB 3.39Å; S57-H60 PolarHBondContact O-N 2.9Å; S57-H60 PolarHBondContact OG-N 3.47Å; S57-Y61 WeakPolarHBondContact O-CD2 3.26Å; S57-Y61 PolarHBondContact O-N 2.61Å; S57-E85 WeakPolarHBondContact CA-OE1 3.34Å; S57-E85 WeakPolarHBondContact CB-OE1 3.46Å
58F97.6Very high96.6Very high29 Ų2938.1 Ų38.113%0.12719%0.193CC..Hα-helixtrans-56.6-39.9172179.7-90.7000111.7H60 Y61 N62 L72 L81 F83 E85F58-H60 VanDerWaalsContact C-N 3.35Å; F58-H60 PolarHBondContact O-N 3.24Å; F58-Y61 PolarHBondContact O-N 2.79Å; F58-N62 HydrophobicContact CD1-CB 4.38Å; F58-N62 HydrophobicContact CE1-CB 4.09Å; F58-N62 VanDerWaalsContact O-CB 3.32Å; F58-N62 WeakPolarHBondContact O-CB 3.43Å; F58-N62 PolarHBondContact O-N 3.28Å; F58-L72 HydrophobicContact CE2-CB 3.86Å; F58-L72 HydrophobicContact CZ-CB 3.71Å; F58-L81 HydrophobicContact CE2-CD2 4.28Å; F58-F83 HydrophobicContact CB-CD1 4.18Å; F58-F83 HydrophobicContact CB-CE1 3.94Å; F58-F83 HydrophobicContact CB-CZ 4.17Å; F58-F83 HydrophobicContact CD2-CB 4.13Å; F58-F83 AromaticContact CD2-CD1 3.95Å; F58-F83 HydrophobicContact CD2-CD1 3.95Å; F58-F83 AromaticContact CD2-CD2 3.71Å; F58-F83 HydrophobicContact CD2-CD2 3.71Å; F58-F83 HydrophobicContact CD2-CE1 4.31Å; F58-F83 HydrophobicContact CD2-CE2 4.03Å; F58-F83 AromaticContact CD2-CG 3.65Å; F58-F83 HydrophobicContact CD2-CG 3.65Å; F58-F83 HydrophobicContact CD2-CZ 4.34Å; F58-F83 HydrophobicContact CE2-CB 4.47Å; F58-F83 HydrophobicContact CE2-CD2 4.28Å; F58-F83 HydrophobicContact CE2-CG 4.35Å; F58-E85 HydrophobicContact CB-CG 4.27Å; F58-E85 PolarHBondContact N-OE1 3.5Å
59S97.1Very high96.5Very high70 Ų7039.5 Ų39.549%0.4922%0.215SC..Hα-helixtrans-60.4-44.8180-172.50000111.6S57 N62 I63S57-S59 PolarHBondContact O-N 3.04Å; S59-N62 PolarHBondContact O-N 3.26Å; S59-I63 VanDerWaalsContact O-CG1 3.31Å; S59-I63 WeakPolarHBondContact O-CG1 3.47Å; S59-I63 PolarHBondContact O-N 3.4Å
60H96.4Very high96.4Very high63 Ų6340.2 Ų40.229%0.29222%0.219SC..Hα-helixtrans-57.2-53.3175.9176.990.3000111.2H36 Q56 S57 F58 N62 I63 V64H36-H60 AromaticContact CE1-CD2 3.88Å; H36-H60 AromaticContact CE1-NE2 3.74Å; H36-H60 AromaticContact NE2-NE2 3.49Å; H36-H60 PolarHBondContact NE2-NE2 3.11Å; Q56-H60 HydrophobicContact CB-CB 4.44Å; S57-H60 WeakPolarHBondContact O-CB 3.39Å; S57-H60 PolarHBondContact O-N 2.9Å; S57-H60 PolarHBondContact OG-N 3.47Å; F58-H60 VanDerWaalsContact C-N 3.35Å; F58-H60 PolarHBondContact O-N 3.24Å; H60-N62 VanDerWaalsContact C-N 3.3Å; H60-N62 PolarHBondContact O-N 2.89Å; H60-I63 PolarHBondContact O-N 3.25Å; H60-V64 PolarHBondContact O-N 3.22Å
61Y97.5Very high96.3Very high4 Ų443.4 Ų43.42%0.01624%0.236CC..Hα-helixtrans-62.8-35178.7-76.6-69000113.2V35 H36 L39 F51 A53 Q56 S57 F58 G65 L72 F83 D144V35-Y61 HydrophobicContact CG1-CE1 3.94Å; H36-Y61 AromaticContact CE1-CD1 3.26Å; H36-Y61 WeakPolarHBondContact CE1-CD1 3.49Å; H36-Y61 AromaticContact CE1-CE1 3.46Å; H36-Y61 VanDerWaalsContact CE1-CE1 3.46Å; H36-Y61 WeakPolarHBondContact CE1-CE1 3.12Å; H36-Y61 AromaticContact ND1-CD1 3.43Å; H36-Y61 WeakPolarHBondContact ND1-CD1 3.47Å; H36-Y61 AromaticContact ND1-CE1 3.75Å; L39-Y61 HydrophobicContact CD2-CD1 4.19Å; F51-Y61 AromaticContact CE1-CD1 3.67Å; F51-Y61 HydrophobicContact CE1-CD1 3.67Å; F51-Y61 AromaticContact CE1-CD2 3.78Å; F51-Y61 HydrophobicContact CE1-CD2 3.78Å; F51-Y61 AromaticContact CE1-CE1 3.8Å; F51-Y61 HydrophobicContact CE1-CE1 3.8Å; F51-Y61 AromaticContact CE1-CE2 3.81Å; F51-Y61 HydrophobicContact CE1-CE2 3.81Å; F51-Y61 AromaticContact CE1-CG 3.7Å; F51-Y61 HydrophobicContact CE1-CG 3.7Å; F51-Y61 AromaticContact CE1-CZ 3.88Å; F51-Y61 AromaticContact CZ-CD1 3.99Å; F51-Y61 HydrophobicContact CZ-CD1 3.99Å; F51-Y61 HydrophobicContact CZ-CD2 4.09Å; F51-Y61 AromaticContact CZ-CE1 3.6Å; F51-Y61 HydrophobicContact CZ-CE1 3.6Å; F51-Y61 AromaticContact CZ-CE2 3.62Å; F51-Y61 HydrophobicContact CZ-CE2 3.62Å; F51-Y61 HydrophobicContact CZ-CG 4.26Å; F51-Y61 AromaticContact CZ-CZ 3.41Å; F51-Y61 VanDerWaalsContact CZ-CZ 3.41Å; A53-Y61 HydrophobicContact CB-CD2 4.29Å; A53-Y61 HydrophobicContact CB-CE2 3.78Å; Q56-Y61 HydrophobicContact CB-CD2 4.11Å; Q56-Y61 HydrophobicContact CB-CE2 3.42Å; Q56-Y61 VanDerWaalsContact CB-CE2 3.42Å; S57-Y61 WeakPolarHBondContact O-CD2 3.26Å; S57-Y61 PolarHBondContact O-N 2.61Å; F58-Y61 PolarHBondContact O-N 2.79Å; Y61-G65 WeakPolarHBondContact O-CA 3.28Å; Y61-G65 PolarHBondContact O-N 2.93Å; Y61-L72 VanDerWaalsContact C-CD1 3.45Å; Y61-L72 WeakPolarHBondContact O-CD1 3.48Å; Y61-F83 AromaticContact CD2-CE2 3.99Å; Y61-F83 HydrophobicContact CD2-CE2 3.99Å; Y61-F83 AromaticContact CD2-CZ 3.72Å; Y61-F83 HydrophobicContact CD2-CZ 3.72Å; Y61-F83 HydrophobicContact CE2-CZ 4.33Å; Y61-F83 HydrophobicContact CG-CE2 4.39Å; Y61-D144 WeakPolarHBondContact OH-CB 3.34Å; Y61-D144 VanDerWaalsContact OH-CG 3.26Å; Y61-D144 PolarHBondContact OH-OD2 2.86Å
62N97.5Very high96.3Very high21 Ų2143.4 Ų43.411%0.11224%0.236CC..Hα-helixtrans-69-42.5179.7-167.539.4000111.6F58 S59 H60 G65 Q66 L72 T73F58-N62 HydrophobicContact CD1-CB 4.38Å; F58-N62 HydrophobicContact CE1-CB 4.09Å; F58-N62 VanDerWaalsContact O-CB 3.32Å; F58-N62 WeakPolarHBondContact O-CB 3.43Å; F58-N62 PolarHBondContact O-N 3.28Å; S59-N62 PolarHBondContact O-N 3.26Å; H60-N62 VanDerWaalsContact C-N 3.3Å; H60-N62 PolarHBondContact O-N 2.89Å; N62-G65 PolarHBondContact O-N 3.46Å; N62-Q66 WeakPolarHBondContact O-CG 3.38Å; N62-Q66 PolarHBondContact O-N 3.42Å; N62-L72 HydrophobicContact CB-CB 4.27Å; N62-L72 HydrophobicContact CB-CD1 4.3Å; N62-L72 HydrophobicContact CB-CG 4.39Å; N62-L72 WeakPolarHBondContact OD1-CB 3.43Å; N62-L72 PolarHBondContact OD1-N 3.46Å; N62-T73 PolarHBondContact ND2-OG1 3.31Å
63I96.4Very high96.2Very high94 Ų9445.9 Ų45.948%0.48225%0.251SS..Hα-helixtrans-61.2-47.6177.5-68.8165.3000110.7S59 H60 K67S59-I63 VanDerWaalsContact O-CG1 3.31Å; S59-I63 WeakPolarHBondContact O-CG1 3.47Å; S59-I63 PolarHBondContact O-N 3.4Å; H60-I63 PolarHBondContact O-N 3.25Å; I63-K67 PolarHBondContact O-N 3.36Å
64V95.4Very high96.2Very high36 Ų3647.9 Ų47.922%0.21826%0.263CS..Hα-helixtrans-69.5-39.7178.1-176.90000111H36 H60 Q66 K67 L68H36-V64 HydrophobicContact CB-CG1 4.15Å; H60-V64 PolarHBondContact O-N 3.22Å; V64-Q66 VanDerWaalsContact C-N 3.31Å; V64-Q66 PolarHBondContact O-N 3Å; V64-K67 WeakPolarHBondContact O-CB 3.49Å; V64-K67 PolarHBondContact O-N 3.03Å; V64-K67 VanDerWaalsContact O-N 3.1Å; V64-L68 HydrophobicContact CG1-CD1 4.41Å; V64-L68 PolarHBondContact O-N 3.1Å; V64-L68 VanDerWaalsContact O-N 3.12Å
65G95.9Very high96.2Very high2 Ų248 Ų482%0.02127%0.265CS..Hα-helixtrans-54.8-44.7175.300000112.4Y61 N62 K67 L68 G69 V70Y61-G65 WeakPolarHBondContact O-CA 3.28Å; Y61-G65 PolarHBondContact O-N 2.93Å; N62-G65 PolarHBondContact O-N 3.46Å; G65-K67 VanDerWaalsContact C-N 3.32Å; G65-K67 PolarHBondContact O-N 3.48Å; G65-L68 CarbonylContact O-C 3.53Å; G65-L68 WeakPolarHBondContact O-CA 3.44Å; G65-L68 WeakPolarHBondContact O-CB 3.38Å; G65-L68 PolarHBondContact O-N 2.89Å; G65-G69 PolarHBondContact O-N 2.87Å; G65-V70 CarbonylContact C-O 3.57Å; G65-V70 VanDerWaalsContact O-CG2 3.31Å; G65-V70 WeakPolarHBondContact O-CG2 3.46Å; G65-V70 PolarHBondContact O-N 3.03Å
66Q95.5Very high96.3Very high106 Ų10649.1 Ų49.150%0.49527%0.266SS..Hα-helixtrans-60.7-40.7177.3-75177.9600111.8N62 V64 L68 G69 V70N62-Q66 WeakPolarHBondContact O-CG 3.38Å; N62-Q66 PolarHBondContact O-N 3.42Å; V64-Q66 VanDerWaalsContact C-N 3.31Å; V64-Q66 PolarHBondContact O-N 3Å; Q66-L68 PolarHBondContact O-N 3.18Å; Q66-G69 PolarHBondContact O-N 3.42Å; Q66-V70 VanDerWaalsContact CA-O 3.28Å; Q66-V70 WeakPolarHBondContact CA-O 3.27Å; Q66-V70 PolarHBondContact N-O 2.74Å
67K94.6Very high96.3Very high107 Ų10753.3 Ų53.347%0.46529%0.285SS..Hα-helixtrans-61.7-31.5173.7-63.8179.7-179.9-176.60112.4I63 V64 G65 G69I63-K67 PolarHBondContact O-N 3.36Å; V64-K67 WeakPolarHBondContact O-CB 3.49Å; V64-K67 PolarHBondContact O-N 3.03Å; V64-K67 VanDerWaalsContact O-N 3.1Å; G65-K67 VanDerWaalsContact C-N 3.32Å; G65-K67 PolarHBondContact O-N 3.48Å; K67-G69 VanDerWaalsContact C-N 3.31Å
68L94.2Very high96.1Very high15 Ų1559.5 Ų59.58%0.07930%0.301CS..THydrogen-bonded Turntrans-86.82.3176.9-64.3-174.8000113.9F2 H36 K44 V64 G65 Q66F2-L68 HydrophobicContact CD1-CD2 4.14Å; F2-L68 HydrophobicContact CE1-CD2 3.49Å; F2-L68 VanDerWaalsContact CE1-CD2 3.49Å; F2-L68 HydrophobicContact CZ-CD1 4.45Å; F2-L68 HydrophobicContact CZ-CD2 4.06Å; H36-L68 HydrophobicContact CB-CD1 3.83Å; H36-L68 WeakPolarHBondContact O-CD1 3.39Å; K44-L68 WeakPolarHBondContact CE-O 3.42Å; K44-L68 PolarHBondContact NZ-O 2.55Å; V64-L68 HydrophobicContact CG1-CD1 4.41Å; V64-L68 PolarHBondContact O-N 3.1Å; V64-L68 VanDerWaalsContact O-N 3.12Å; G65-L68 CarbonylContact O-C 3.53Å; G65-L68 WeakPolarHBondContact O-CA 3.44Å; G65-L68 WeakPolarHBondContact O-CB 3.38Å; G65-L68 PolarHBondContact O-N 2.89Å; Q66-L68 PolarHBondContact O-N 3.18Å
69G94Very high95.9Very high54 Ų5459.7 Ų59.756%0.55731%0.312SS*.THydrogen-bonded Turntrans77.931.7177.900000114.1K44 G65 Q66 K67K44-G69 WeakPolarHBondContact CE-O 3.37Å; G65-G69 PolarHBondContact O-N 2.87Å; Q66-G69 PolarHBondContact O-N 3.42Å; K67-G69 VanDerWaalsContact C-N 3.31Å
70V96Very high95.9Very high17 Ų1757.3 Ų57.310%0.10329%0.293CS..  trans-128142.1169.7-64.50000110.1L43 K44 G65 Q66 L72L43-V70 HydrophobicContact CB-CG1 4.27Å; L43-V70 HydrophobicContact CD1-CB 4.39Å; L43-V70 HydrophobicContact CD1-CG2 4.4Å; K44-V70 HydrophobicContact CD-CG1 4.35Å; K44-V70 HydrophobicContact CG-CG1 3.82Å; G65-V70 CarbonylContact C-O 3.57Å; G65-V70 VanDerWaalsContact O-CG2 3.31Å; G65-V70 WeakPolarHBondContact O-CG2 3.46Å; G65-V70 PolarHBondContact O-N 3.03Å; Q66-V70 VanDerWaalsContact CA-O 3.28Å; Q66-V70 WeakPolarHBondContact CA-O 3.27Å; Q66-V70 PolarHBondContact N-O 2.74Å; V70-L72 HydrophobicContact CG2-CD2 4.2Å
71N96.5Very high96Very high67 Ų6754.4 Ų54.436%0.35828%0.28SS..  trans-110.9111.8175.3-176.8-32.8000108.6T73 V74 A75N71-T73 VanDerWaalsContact C-N 3.34Å; N71-T73 WeakPolarHBondContact OD1-CB 3.39Å; N71-T73 PolarHBondContact OD1-N 3.17Å; N71-V74 HydrophobicContact CB-CB 4.14Å; N71-V74 HydrophobicContact CB-CG2 4.06Å; N71-V74 PolarHBondContact O-N 3.03Å; N71-V74 PolarHBondContact OD1-N 3.31Å; N71-V74 VanDerWaalsContact OD1-N 3.14Å; N71-A75 PolarHBondContact O-N 3.06Å
72L97.9Very high96Very high0 Ų056.2 Ų56.20%029%0.291CS..Hα-helixtrans-73.2-29.8-174.6-56.2-169.5000112.1L39 L43 F58 Y61 N62 V70 A75 R76 L81L39-L72 HydrophobicContact CD2-CD1 3.87Å; L39-L72 HydrophobicContact CD2-CD2 3.98Å; L39-L72 HydrophobicContact CG-CD2 4.27Å; L43-L72 HydrophobicContact CD1-CD2 3.38Å; F58-L72 HydrophobicContact CE2-CB 3.86Å; F58-L72 HydrophobicContact CZ-CB 3.71Å; Y61-L72 VanDerWaalsContact C-CD1 3.45Å; Y61-L72 WeakPolarHBondContact O-CD1 3.48Å; N62-L72 HydrophobicContact CB-CB 4.27Å; N62-L72 HydrophobicContact CB-CD1 4.3Å; N62-L72 HydrophobicContact CB-CG 4.39Å; N62-L72 WeakPolarHBondContact OD1-CB 3.43Å; N62-L72 PolarHBondContact OD1-N 3.46Å; V70-L72 HydrophobicContact CG2-CD2 4.2Å; L72-A75 PolarHBondContact O-N 3.08Å; L72-R76 VanDerWaalsContact O-CB 3.31Å; L72-R76 WeakPolarHBondContact O-CB 3.33Å; L72-R76 PolarHBondContact O-N 2.89Å; L72-L81 HydrophobicContact CB-CD2 3.84Å; L72-L81 HydrophobicContact CD1-CD2 4.45Å; L72-L81 HydrophobicContact CD2-CD2 4.07Å; L72-L81 HydrophobicContact CG-CD2 4.33Å
73T97.9Very high96Very high52 Ų5256.1 Ų56.132%0.31929%0.29SS..Hα-helixtrans-61.3-48.7173.9-53.90000110.1N62 N71 A75 R76 E77N62-T73 PolarHBondContact ND2-OG1 3.31Å; N71-T73 VanDerWaalsContact C-N 3.34Å; N71-T73 WeakPolarHBondContact OD1-CB 3.39Å; N71-T73 PolarHBondContact OD1-N 3.17Å; T73-A75 PolarHBondContact O-N 3.22Å; T73-R76 PolarHBondContact O-N 3.04Å; T73-E77 WeakPolarHBondContact O-CG 3.49Å; T73-E77 PolarHBondContact O-N 3.06Å
74V96.9Very high96.1Very high44 Ų4452.2 Ų52.227%0.26727%0.269SS..Hα-helixtrans-64.7-40.8177.7175.20000111.6N71 R76 E77 R78N71-V74 HydrophobicContact CB-CB 4.14Å; N71-V74 HydrophobicContact CB-CG2 4.06Å; N71-V74 PolarHBondContact O-N 3.03Å; N71-V74 PolarHBondContact OD1-N 3.31Å; N71-V74 VanDerWaalsContact OD1-N 3.14Å; V74-R76 VanDerWaalsContact C-N 3.29Å; V74-R76 PolarHBondContact O-N 3.34Å; V74-E77 PolarHBondContact O-N 2.79Å; V74-R78 WeakPolarHBondContact O-CB 3.42Å; V74-R78 VanDerWaalsContact O-CG 3.28Å; V74-R78 WeakPolarHBondContact O-CG 3.37Å; V74-R78 PolarHBondContact O-N 3.23Å; V74-R78 VanDerWaalsContact O-N 3.08Å
75A96.8Very high96.1Very high5 Ų552.2 Ų52.24%0.04127%0.267CS..Hα-helixtrans-62.3-37.7175.900000111.9L43 N71 L72 T73 G79 Q80 L81L43-A75 HydrophobicContact CD1-CB 4.44Å; L43-A75 HydrophobicContact CD2-CB 4Å; N71-A75 PolarHBondContact O-N 3.06Å; L72-A75 PolarHBondContact O-N 3.08Å; T73-A75 PolarHBondContact O-N 3.22Å; A75-G79 PolarHBondContact O-N 3.44Å; A75-Q80 HydrophobicContact CB-CB 4.36Å; A75-Q80 WeakPolarHBondContact O-CA 3.45Å; A75-Q80 WeakPolarHBondContact O-CB 3.31Å; A75-Q80 PolarHBondContact O-N 2.87Å; A75-L81 HydrophobicContact CB-CB 3.84Å; A75-L81 PolarHBondContact O-N 3.3Å
76R96.4Very high96Very high134 Ų13452.2 Ų52.251%0.50627%0.267SS..Hα-helixtrans-69.6-46.3176.8-174177.1-178.6173.41.6112.1L72 T73 V74 R78 G79 L81L72-R76 VanDerWaalsContact O-CB 3.31Å; L72-R76 WeakPolarHBondContact O-CB 3.33Å; L72-R76 PolarHBondContact O-N 2.89Å; T73-R76 PolarHBondContact O-N 3.04Å; V74-R76 VanDerWaalsContact C-N 3.29Å; V74-R76 PolarHBondContact O-N 3.34Å; R76-R78 VanDerWaalsContact C-N 3.25Å; R76-R78 PolarHBondContact O-N 3.26Å; R76-G79 PolarHBondContact O-N 3.17Å; R76-L81 WeakPolarHBondContact CA-O 3.25Å
77E95.6Very high95.9Very high151 Ų15150.4 Ų50.471%0.70626%0.26SS*.Hα-helixtrans-59.9-35.2177.5-73.7169.3178.300112.5T73 V74 G79T73-E77 WeakPolarHBondContact O-CG 3.49Å; T73-E77 PolarHBondContact O-N 3.06Å; V74-E77 PolarHBondContact O-N 2.79Å; E77-G79 PolarHBondContact O-N 3.09Å
78R92.8Very high95.8Very high178 Ų17851.1 Ų51.167%0.67226%0.263SS*.THydrogen-bonded Turntrans-78.8-3.2175.6-67.2175.2-176.9-172.60.7113.8V74 R76 Q80 W136V74-R78 WeakPolarHBondContact O-CB 3.42Å; V74-R78 VanDerWaalsContact O-CG 3.28Å; V74-R78 WeakPolarHBondContact O-CG 3.37Å; V74-R78 PolarHBondContact O-N 3.23Å; V74-R78 VanDerWaalsContact O-N 3.08Å; R76-R78 VanDerWaalsContact C-N 3.25Å; R76-R78 PolarHBondContact O-N 3.26Å; R78-Q80 PolarHBondContact O-N 3.23Å; R78-W136 HydrophobicContact CB-CH2 4.49Å; R78-W136 WeakPolarHBondContact O-CZ2 3.33Å
79G93.6Very high95.7Very high34 Ų3451.1 Ų51.135%0.35127%0.265SS..THydrogen-bonded Turntrans70.712.9-174.900000114.5A75 R76 E77A75-G79 PolarHBondContact O-N 3.44Å; R76-G79 PolarHBondContact O-N 3.17Å; E77-G79 PolarHBondContact O-N 3.09Å
80Q95.6Very high95.5Very high19 Ų1948.7 Ų48.79%0.08924%0.239CC..SBendtrans-74.2-37.3174.2-169.2-174.712.500111.1L43 C47 K48 V49 A75 R78 W136L43-Q80 HydrophobicContact CD2-CG 4Å; L43-Q80 PolarHBondContact O-NE2 3.21Å; C47-Q80 WeakPolarHBondContact O-CG 3.42Å; C47-Q80 PolarHBondContact O-NE2 2.96Å; K48-Q80 CarbonylContact C-O 2.93Å; K48-Q80 WeakPolarHBondContact CA-O 3Å; V49-Q80 PolarHBondContact N-O 2.95Å; A75-Q80 HydrophobicContact CB-CB 4.36Å; A75-Q80 WeakPolarHBondContact O-CA 3.45Å; A75-Q80 WeakPolarHBondContact O-CB 3.31Å; A75-Q80 PolarHBondContact O-N 2.87Å; R78-Q80 PolarHBondContact O-N 3.23Å; Q80-W136 HydrophobicContact CB-CE3 4.48Å; Q80-W136 HydrophobicContact CB-CH2 3.63Å; Q80-W136 HydrophobicContact CB-CZ2 3.83Å; Q80-W136 HydrophobicContact CB-CZ3 3.97Å; Q80-W136 HydrophobicContact CG-CD2 4.41Å; Q80-W136 HydrophobicContact CG-CE3 4.02Å; Q80-W136 HydrophobicContact CG-CH2 4.03Å; Q80-W136 HydrophobicContact CG-CZ2 4.38Å; Q80-W136 HydrophobicContact CG-CZ3 3.82Å
81L98Very high95.1Very high3 Ų351.7 Ų51.72%0.01626%0.258CS..EExtended strand (participates in β ladder)trans-114.4119-178177.866000111L39 L43 V49 F51 F58 L72 A75 R76 F83L39-L81 HydrophobicContact CD1-CD1 4.3Å; L43-L81 HydrophobicContact CD2-CB 4.4Å; V49-L81 HydrophobicContact CB-CD1 4Å; V49-L81 HydrophobicContact CG1-CD1 4.01Å; V49-L81 CarbonylContact O-C 3.56Å; V49-L81 WeakPolarHBondContact O-CA 3.38Å; F51-L81 HydrophobicContact CB-CD1 3.88Å; F58-L81 HydrophobicContact CE2-CD2 4.28Å; L72-L81 HydrophobicContact CB-CD2 3.84Å; L72-L81 HydrophobicContact CD1-CD2 4.45Å; L72-L81 HydrophobicContact CD2-CD2 4.07Å; L72-L81 HydrophobicContact CG-CD2 4.33Å; A75-L81 HydrophobicContact CB-CB 3.84Å; A75-L81 PolarHBondContact O-N 3.3Å; R76-L81 WeakPolarHBondContact CA-O 3.25Å; L81-F83 HydrophobicContact CD2-CD2 4.34Å; L81-F83 HydrophobicContact CG-CB 4.44Å
82V98.1Very high94.7Very high42 Ų4251 Ų5126%0.25525%0.254SS..EExtended strand (participates in β ladder)trans-100.3127.8163.4-177.30000107.3V49 C50 F51 F121 A125V49-V82 PolarHBondContact O-N 3.3Å; C50-V82 CarbonylContact C-O 3.59Å; C50-V82 WeakPolarHBondContact CA-O 3.4Å; F51-V82 PolarHBondContact N-O 3.06Å; V82-F121 HydrophobicContact CG1-CE2 4.21Å; V82-F121 HydrophobicContact CG1-CZ 3.76Å; V82-A125 HydrophobicContact CB-CB 4.02Å; V82-A125 HydrophobicContact CG1-CB 3.82Å; V82-A125 HydrophobicContact CG2-CB 4.1Å
83F98.3Very high94.3Very high19 Ų1951 Ų518%0.08325%0.254CS..EExtended strand (participates in β ladder)trans-127.8127.5-172.2-165.7-73.5000110.9F51 A53 F58 Y61 L81 E85F51-F83 HydrophobicContact CB-CD2 3.99Å; F51-F83 HydrophobicContact CB-CE2 4.39Å; F51-F83 AromaticContact CD1-CD2 3.64Å; F51-F83 HydrophobicContact CD1-CD2 3.64Å; F51-F83 AromaticContact CD1-CE2 3.28Å; F51-F83 HydrophobicContact CD1-CE2 3.28Å; F51-F83 HydrophobicContact CD1-CZ 4.23Å; F51-F83 HydrophobicContact CE1-CD2 4.46Å; F51-F83 AromaticContact CE1-CE2 3.66Å; F51-F83 HydrophobicContact CE1-CE2 3.66Å; F51-F83 HydrophobicContact CE1-CZ 4.35Å; F51-F83 HydrophobicContact CG-CD2 4.08Å; F51-F83 AromaticContact CG-CE2 3.98Å; F51-F83 HydrophobicContact CG-CE2 3.98Å; F51-F83 WeakPolarHBondContact O-CA 3.45Å; A53-F83 HydrophobicContact CB-CE1 3.59Å; A53-F83 HydrophobicContact CB-CE2 4.05Å; A53-F83 HydrophobicContact CB-CZ 3.25Å; F58-F83 HydrophobicContact CB-CD1 4.18Å; F58-F83 HydrophobicContact CB-CE1 3.94Å; F58-F83 HydrophobicContact CB-CZ 4.17Å; F58-F83 HydrophobicContact CD2-CB 4.13Å; F58-F83 AromaticContact CD2-CD1 3.95Å; F58-F83 HydrophobicContact CD2-CD1 3.95Å; F58-F83 AromaticContact CD2-CD2 3.71Å; F58-F83 HydrophobicContact CD2-CD2 3.71Å; F58-F83 HydrophobicContact CD2-CE1 4.31Å; F58-F83 HydrophobicContact CD2-CE2 4.03Å; F58-F83 AromaticContact CD2-CG 3.65Å; F58-F83 HydrophobicContact CD2-CG 3.65Å; F58-F83 HydrophobicContact CD2-CZ 4.34Å; F58-F83 HydrophobicContact CE2-CB 4.47Å; F58-F83 HydrophobicContact CE2-CD2 4.28Å; F58-F83 HydrophobicContact CE2-CG 4.35Å; Y61-F83 AromaticContact CD2-CE2 3.99Å; Y61-F83 HydrophobicContact CD2-CE2 3.99Å; Y61-F83 AromaticContact CD2-CZ 3.72Å; Y61-F83 HydrophobicContact CD2-CZ 3.72Å; Y61-F83 HydrophobicContact CE2-CZ 4.33Å; Y61-F83 HydrophobicContact CG-CE2 4.39Å; L81-F83 HydrophobicContact CD2-CD2 4.34Å; L81-F83 HydrophobicContact CG-CB 4.44Å; F83-E85 HydrophobicContact CD1-CG 3.88Å; F83-E85 HydrophobicContact CE1-CB 4.43Å; F83-E85 HydrophobicContact CE1-CG 3.5Å; F83-E85 VanDerWaalsContact CE1-CG 3.5Å
84L97.7Very high93.7Very high11 Ų1152.8 Ų52.86%0.05826%0.257CS..EExtended strand (participates in β ladder)trans-112.5121.4173.5175.864000109.5F51 V52 A53 G86 P103 L118 F121F51-L84 PolarHBondContact O-N 2.85Å; V52-L84 HydrophobicContact CG1-CD2 4.17Å; V52-L84 HydrophobicContact CG2-CD2 4.49Å; A53-L84 PolarHBondContact N-O 2.82Å; L84-G86 PolarHBondContact O-N 3.18Å; L84-P103 HydrophobicContact CD1-CG 4.45Å; L84-P103 HydrophobicContact CD2-CB 4.12Å; L84-L118 HydrophobicContact CD2-CD1 3.54Å; L84-F121 HydrophobicContact CB-CE1 3.79Å; L84-F121 HydrophobicContact CB-CZ 3.87Å; L84-F121 HydrophobicContact CD2-CD1 4.14Å; L84-F121 HydrophobicContact CD2-CE1 3.98Å; L84-F121 HydrophobicContact CG-CE1 4.43Å
85E95.8Very high93.2Very high37 Ų3758.8 Ų58.817%0.17328%0.28CS..EExtended strand (participates in β ladder)trans-89.991.5174.5-71.9-174.2113.800109.8S57 F58 F83 K88 S89S57-E85 WeakPolarHBondContact CA-OE1 3.34Å; S57-E85 WeakPolarHBondContact CB-OE1 3.46Å; F58-E85 HydrophobicContact CB-CG 4.27Å; F58-E85 PolarHBondContact N-OE1 3.5Å; F83-E85 HydrophobicContact CD1-CG 3.88Å; F83-E85 HydrophobicContact CE1-CB 4.43Å; F83-E85 HydrophobicContact CE1-CG 3.5Å; F83-E85 VanDerWaalsContact CE1-CG 3.5Å; E85-K88 HydrophobicContact CB-CB 4.02Å; E85-K88 HydrophobicContact CB-CD 4.32Å; E85-K88 WeakPolarHBondContact OE2-CD 3.26Å; E85-K88 IonicContact OE2-NZ 2.79Å; E85-K88 PolarHBondContact OE2-NZ 3.15Å; E85-S89 VanDerWaalsContact O-CB 3.22Å; E85-S89 WeakPolarHBondContact O-CB 3.48Å; E85-S89 PolarHBondContact O-N 3.29Å; E85-S89 PolarHBondContact O-OG 2.84Å
86G94.5Very high92.5Very high1 Ų163.4 Ų63.41%0.0130%0.301CS..Hα-helixtrans-58.8-65-168.500000114.4A53 L84 K88 S89 A90 L104A53-G86 PolarHBondContact O-N 3.06Å; L84-G86 PolarHBondContact O-N 3.18Å; G86-K88 VanDerWaalsContact C-N 3.31Å; G86-K88 PolarHBondContact O-N 3.12Å; G86-S89 CarbonylContact O-C 3.47Å; G86-S89 PolarHBondContact O-N 3.43Å; G86-S89 VanDerWaalsContact O-N 3.11Å; G86-A90 WeakPolarHBondContact O-CB 2.96Å; G86-A90 PolarHBondContact O-N 2.76Å; G86-L104 VanDerWaalsContact O-CD1 3.28Å; G86-L104 WeakPolarHBondContact O-CD1 3.43Å
87L92.9Very high91.5Very high68 Ų6863.4 Ų63.436%0.35632%0.316SS..Hα-helixtrans-57.7-41.1-178.8-84175.4000113.3L54 F55 A90 V91 V148 L152L54-L87 WeakPolarHBondContact O-CG 3.46Å; L54-L87 PolarHBondContact O-N 3.16Å; F55-L87 HydrophobicContact CD2-CD1 4Å; L87-A90 PolarHBondContact O-N 3.49Å; L87-V91 WeakPolarHBondContact O-CG2 3.36Å; L87-V91 PolarHBondContact O-N 2.87Å; L87-V148 HydrophobicContact CD2-CG1 4.07Å; L87-V148 HydrophobicContact CG-CG1 4.19Å; L87-L152 HydrophobicContact CD2-CD2 4.44Å
88K92.1Very high90.4Very high122 Ų12259.5 Ų59.553%0.5330%0.298SS..Hα-helixtrans-61.4-47.5175.8-179.3-179.4167.1-170.30111.1E85 G86 A90 V91 D92E85-K88 HydrophobicContact CB-CB 4.02Å; E85-K88 HydrophobicContact CB-CD 4.32Å; E85-K88 WeakPolarHBondContact OE2-CD 3.26Å; E85-K88 IonicContact OE2-NZ 2.79Å; E85-K88 PolarHBondContact OE2-NZ 3.15Å; G86-K88 VanDerWaalsContact C-N 3.31Å; G86-K88 PolarHBondContact O-N 3.12Å; K88-A90 VanDerWaalsContact C-N 3.3Å; K88-A90 PolarHBondContact O-N 3.12Å; K88-V91 WeakPolarHBondContact O-CB 3.41Å; K88-V91 PolarHBondContact O-N 2.9Å; K88-D92 PolarHBondContact O-N 2.83Å
89S91.8Very high89.3Confident16 Ų1660.4 Ų60.411%0.11231%0.309CS..Hα-helixtrans-70.1-28.2-180-46.80000112.3E85 G86 D92 V93 H102E85-S89 VanDerWaalsContact O-CB 3.22Å; E85-S89 WeakPolarHBondContact O-CB 3.48Å; E85-S89 PolarHBondContact O-N 3.29Å; E85-S89 PolarHBondContact O-OG 2.84Å; G86-S89 CarbonylContact O-C 3.47Å; G86-S89 PolarHBondContact O-N 3.43Å; G86-S89 VanDerWaalsContact O-N 3.11Å; S89-D92 PolarHBondContact O-N 3.23Å; S89-V93 VanDerWaalsContact O-CG2 3.29Å; S89-V93 WeakPolarHBondContact O-CG2 3.33Å; S89-V93 PolarHBondContact O-N 3.35Å; S89-H102 WeakPolarHBondContact CB-CE1 3.46Å; S89-H102 WeakPolarHBondContact CB-NE2 3.41Å
90A90.2Very high88.5Confident3 Ų366.3 Ų66.33%0.02533%0.328CS..Hα-helixtrans-64-42174.300000111.3G86 L87 K88 D92 V93 F94 L104 L107G86-A90 WeakPolarHBondContact O-CB 2.96Å; G86-A90 PolarHBondContact O-N 2.76Å; L87-A90 PolarHBondContact O-N 3.49Å; K88-A90 VanDerWaalsContact C-N 3.3Å; K88-A90 PolarHBondContact O-N 3.12Å; A90-D92 VanDerWaalsContact C-N 3.34Å; A90-D92 PolarHBondContact O-N 2.7Å; A90-V93 PolarHBondContact O-N 3.22Å; A90-F94 HydrophobicContact CB-CE2 4.31Å; A90-F94 WeakPolarHBondContact O-CD2 3.39Å; A90-F94 PolarHBondContact O-N 3.17Å; A90-L104 HydrophobicContact CB-CD1 4.2Å; A90-L107 HydrophobicContact CB-CD1 3.65Å
91V88.4Confident87.9Confident80 Ų8070.7 Ų70.749%0.48536%0.358SS..Hα-helixtrans-58.3-47173.4174.30000110.6L87 K88 V93 F94 F95L87-V91 WeakPolarHBondContact O-CG2 3.36Å; L87-V91 PolarHBondContact O-N 2.87Å; K88-V91 WeakPolarHBondContact O-CB 3.41Å; K88-V91 PolarHBondContact O-N 2.9Å; V91-V93 VanDerWaalsContact C-N 3.31Å; V91-V93 PolarHBondContact O-N 3.37Å; V91-F94 PolarHBondContact O-N 3.47Å; V91-F95 HydrophobicContact CG1-CD2 3.81Å; V91-F95 HydrophobicContact CG1-CE2 4.25Å; V91-F95 WeakPolarHBondContact O-CD2 3.21Å; V91-F95 PolarHBondContact O-N 3.3Å
92D87.9Confident87.5Confident51 Ų5172.2 Ų72.227%0.27337%0.365SS..Hα-helixtrans-61.6-40.4177.6-64.5-32.4000111.7K88 S89 A90 Q96 Q98K88-D92 PolarHBondContact O-N 2.83Å; S89-D92 PolarHBondContact O-N 3.23Å; A90-D92 VanDerWaalsContact C-N 3.34Å; A90-D92 PolarHBondContact O-N 2.7Å; D92-Q96 WeakPolarHBondContact O-CA 3.44Å; D92-Q96 WeakPolarHBondContact O-CB 3.46Å; D92-Q96 PolarHBondContact O-N 2.67Å; D92-Q96 PolarHBondContact OD1-NE2 2.83Å; D92-Q98 PolarHBondContact O-NE2 2.97Å; D92-Q98 VanDerWaalsContact O-NE2 3.09Å
93V88.4Confident87.2Confident1 Ų171.2 Ų71.21%0.00636%0.36CS..Hα-helixtrans-63.4-44.1176.6167.60000112.1S89 A90 V91 H102 L104 L107 R108S89-V93 VanDerWaalsContact O-CG2 3.29Å; S89-V93 WeakPolarHBondContact O-CG2 3.33Å; S89-V93 PolarHBondContact O-N 3.35Å; A90-V93 PolarHBondContact O-N 3.22Å; V91-V93 VanDerWaalsContact C-N 3.31Å; V91-V93 PolarHBondContact O-N 3.37Å; V93-H102 HydrophobicContact CG2-CB 4.11Å; V93-H102 WeakPolarHBondContact CG2-ND1 3.49Å; V93-L104 HydrophobicContact CG2-CB 4.3Å; V93-L107 HydrophobicContact CG1-CB 4.37Å; V93-R108 HydrophobicContact CG1-CG 3.6Å; V93-R108 VanDerWaalsContact O-CD 3.32Å; V93-R108 WeakPolarHBondContact O-CD 3.2Å
94F85.8Confident87Confident90 Ų9070.4 Ų70.440%0.39536%0.356SS..Hα-helixtrans-70.2-37.8-177.9-74.5-58.2000113.1A90 V91 L107 L152A90-F94 HydrophobicContact CB-CE2 4.31Å; A90-F94 WeakPolarHBondContact O-CD2 3.39Å; A90-F94 PolarHBondContact O-N 3.17Å; V91-F94 PolarHBondContact O-N 3.47Å; F94-L107 HydrophobicContact CE1-CB 3.97Å; F94-L107 WeakPolarHBondContact CE1-O 3.27Å; F94-L107 HydrophobicContact CE2-CB 4.46Å; F94-L107 HydrophobicContact CE2-CD1 4.09Å; F94-L107 HydrophobicContact CZ-CB 3.75Å; F94-L107 HydrophobicContact CZ-CD1 4.12Å; F94-L107 HydrophobicContact CZ-CD2 4.48Å; F94-L107 HydrophobicContact CZ-CG 4.35Å; F94-L152 HydrophobicContact CE2-CD2 4.44Å
95F86.1Confident86.6Confident170 Ų17073.1 Ų73.175%0.74637%0.368SS*.Hα-helixtrans-109-10.3-167.7-60.3-67.7000114.7V91V91-F95 HydrophobicContact CG1-CD2 3.81Å; V91-F95 HydrophobicContact CG1-CE2 4.25Å; V91-F95 WeakPolarHBondContact O-CD2 3.21Å; V91-F95 PolarHBondContact O-N 3.3Å
96Q83.4Confident86.3Confident102 Ų10271.4 Ų71.448%0.47736%0.36SS..SBendtrans-117.2151.6-178.6-54.41721500112.3D92 Q98 R108D92-Q96 WeakPolarHBondContact O-CA 3.44Å; D92-Q96 WeakPolarHBondContact O-CB 3.46Å; D92-Q96 PolarHBondContact O-N 2.67Å; D92-Q96 PolarHBondContact OD1-NE2 2.83Å; Q96-Q98 PolarHBondContact O-N 3.44Å; Q96-R108 PolarHBondContact O-NH1 3.34Å
97T75.1Confident86.1Confident134 Ų13472.1 Ų72.182%0.82236%0.364SS*.  trans-75.1116.6170-51.90000108.5
98Q71.9Confident85.7Confident68 Ų6876 Ų7632%0.31837%0.374SS..  trans-87.1122.1178.5-60.5-63.9-39.900109D92 Q96D92-Q98 PolarHBondContact O-NE2 2.97Å; D92-Q98 VanDerWaalsContact O-NE2 3.09Å; Q96-Q98 PolarHBondContact O-N 3.44Å
99E70.3Confident85.1Confident197 Ų19774.3 Ų74.392%0.92137%0.368SS*.SBendtrans-83.7-26.5173.6-66.4-174.2167.200111.8
100E76.4Confident83.7Confident159 Ų15978.6 Ų78.674%0.74340%0.404SS*.SBendtrans-117.5154.2-178.6-71.2-170.1171.100112H102E100-H102 PolarHBondContact O-N 3.2Å
101P82.2Confident82.4Confident111 Ų11185 Ų8572%0.72144%0.438SS*.  trans-64.2119.3176.525.5-32.9000110.9
102H89.9Confident81.2Confident35 Ų3582.2 Ų82.216%0.16242%0.423CS..  trans-98.3141.1-177.2-171.5-88.4000111.2S89 V93 E100 L104 Q105S89-H102 WeakPolarHBondContact CB-CE1 3.46Å; S89-H102 WeakPolarHBondContact CB-NE2 3.41Å; V93-H102 HydrophobicContact CG2-CB 4.11Å; V93-H102 WeakPolarHBondContact CG2-ND1 3.49Å; E100-H102 PolarHBondContact O-N 3.2Å; H102-L104 PolarHBondContact ND1-N 3.45Å; H102-L104 PolarHBondContact O-N 2.96Å; H102-Q105 HydrophobicContact CB-CB 4.48Å; H102-Q105 VanDerWaalsContact O-CB 3.25Å; H102-Q105 WeakPolarHBondContact O-CB 3.01Å; H102-Q105 VanDerWaalsContact O-CG 3.26Å; H102-Q105 WeakPolarHBondContact O-CG 3.33Å; H102-Q105 PolarHBondContact O-N 3.2Å
103P92.6Very high80.3Confident21 Ų2182.1 Ų82.114%0.13643%0.434CS..THydrogen-bonded Turntrans-55.3-27.4179.8-28.235.6000114.6L84 F106 P117 L118 F121L84-P103 HydrophobicContact CD1-CG 4.45Å; L84-P103 HydrophobicContact CD2-CB 4.12Å; P103-F106 WeakPolarHBondContact O-CD1 3.4Å; P103-F106 VanDerWaalsContact O-CE1 3.26Å; P103-F106 WeakPolarHBondContact O-CE1 3.3Å; P103-P117 CarbonylContact O-C 3.59Å; P103-L118 HydrophobicContact CB-CD1 4.24Å; P103-L118 WeakPolarHBondContact O-CA 3.37Å; P103-L118 PolarHBondContact O-N 3.48Å; P103-L118 VanDerWaalsContact O-N 3.17Å; P103-F121 HydrophobicContact CB-CB 3.8Å; P103-F121 HydrophobicContact CB-CD1 4.47Å; P103-F121 HydrophobicContact CB-CD2 4.34Å; P103-F121 HydrophobicContact CB-CG 3.95Å; P103-F121 HydrophobicContact CG-CB 3.81Å; P103-F121 HydrophobicContact CG-CD2 3.58Å; P103-F121 HydrophobicContact CG-CE2 4.28Å; P103-F121 HydrophobicContact CG-CG 3.7Å
104L93.3Very high80.1Confident1 Ų186 Ų861%0.00546%0.455CS..THydrogen-bonded Turntrans-10114.9177.7-53.8-178.8000114.5G86 A90 V93 H102 F106 L107 L118G86-L104 VanDerWaalsContact O-CD1 3.28Å; G86-L104 WeakPolarHBondContact O-CD1 3.43Å; A90-L104 HydrophobicContact CB-CD1 4.2Å; V93-L104 HydrophobicContact CG2-CB 4.3Å; H102-L104 PolarHBondContact ND1-N 3.45Å; H102-L104 PolarHBondContact O-N 2.96Å; L104-F106 HydrophobicContact CB-CE1 4.33Å; L104-F106 HydrophobicContact CD2-CE1 3.72Å; L104-F106 HydrophobicContact CD2-CZ 3.68Å; L104-F106 PolarHBondContact O-N 3.24Å; L104-F106 VanDerWaalsContact O-N 3.08Å; L104-L107 HydrophobicContact CB-CD1 3.96Å; L104-L107 HydrophobicContact CB-CG 4.39Å; L104-L107 HydrophobicContact CD1-CD1 4.42Å; L104-L107 WeakPolarHBondContact O-CB 3.47Å; L104-L107 WeakPolarHBondContact O-CG 3.29Å; L104-L107 PolarHBondContact O-N 3.01Å; L104-L118 HydrophobicContact CD2-CD1 4.24Å
105Q90.1Very high80.5Confident69 Ų6982.1 Ų82.132%0.32244%0.438SS..G310 helixtrans-58.5-24.6-178.169.5-176.324.600113.5H102 L107 R108 P117H102-Q105 HydrophobicContact CB-CB 4.48Å; H102-Q105 VanDerWaalsContact O-CB 3.25Å; H102-Q105 WeakPolarHBondContact O-CB 3.01Å; H102-Q105 VanDerWaalsContact O-CG 3.26Å; H102-Q105 WeakPolarHBondContact O-CG 3.33Å; H102-Q105 PolarHBondContact O-N 3.2Å; Q105-L107 PolarHBondContact O-N 3.21Å; Q105-L107 VanDerWaalsContact O-N 3.09Å; Q105-R108 PolarHBondContact O-N 3.29Å; Q105-P117 HydrophobicContact CG-CB 3.84Å; Q105-P117 HydrophobicContact CG-CG 3.67Å
106F89.9Confident80.9Confident0 Ų079.7 Ų79.70%043%0.427CS..G310 helixtrans-58.1-21.4176.262.8-99.1000113P103 L104 R108 E109 N114 L115 L118 L149 V154P103-F106 WeakPolarHBondContact O-CD1 3.4Å; P103-F106 VanDerWaalsContact O-CE1 3.26Å; P103-F106 WeakPolarHBondContact O-CE1 3.3Å; L104-F106 HydrophobicContact CB-CE1 4.33Å; L104-F106 HydrophobicContact CD2-CE1 3.72Å; L104-F106 HydrophobicContact CD2-CZ 3.68Å; L104-F106 PolarHBondContact O-N 3.24Å; L104-F106 VanDerWaalsContact O-N 3.08Å; F106-R108 PolarHBondContact O-N 2.67Å; F106-E109 PolarHBondContact O-N 2.96Å; F106-N114 VanDerWaalsContact CB-O 3.3Å; F106-N114 WeakPolarHBondContact CB-O 3.48Å; F106-L115 HydrophobicContact CE2-CG 4.41Å; F106-L115 HydrophobicContact CZ-CG 4.36Å; F106-L118 HydrophobicContact CE1-CB 3.94Å; F106-L118 HydrophobicContact CE1-CD2 4.44Å; F106-L149 HydrophobicContact CZ-CD2 4.18Å; F106-V154 HydrophobicContact CD2-CG2 4.22Å; F106-V154 HydrophobicContact CE2-CG2 3.72Å
107L89.4Confident81.4Confident16 Ų1676 Ų768%0.08441%0.412CS..G310 helixtrans-65.8-20.9176-66.3178.3000113.5A90 V93 F94 L104 Q105 L152 V154A90-L107 HydrophobicContact CB-CD1 3.65Å; V93-L107 HydrophobicContact CG1-CB 4.37Å; F94-L107 HydrophobicContact CE1-CB 3.97Å; F94-L107 WeakPolarHBondContact CE1-O 3.27Å; F94-L107 HydrophobicContact CE2-CB 4.46Å; F94-L107 HydrophobicContact CE2-CD1 4.09Å; F94-L107 HydrophobicContact CZ-CB 3.75Å; F94-L107 HydrophobicContact CZ-CD1 4.12Å; F94-L107 HydrophobicContact CZ-CD2 4.48Å; F94-L107 HydrophobicContact CZ-CG 4.35Å; L104-L107 HydrophobicContact CB-CD1 3.96Å; L104-L107 HydrophobicContact CB-CG 4.39Å; L104-L107 HydrophobicContact CD1-CD1 4.42Å; L104-L107 WeakPolarHBondContact O-CB 3.47Å; L104-L107 WeakPolarHBondContact O-CG 3.29Å; L104-L107 PolarHBondContact O-N 3.01Å; Q105-L107 PolarHBondContact O-N 3.21Å; Q105-L107 VanDerWaalsContact O-N 3.09Å; L107-L152 HydrophobicContact CD1-CD1 4.31Å; L107-L152 HydrophobicContact CD2-CB 3.84Å; L107-L152 HydrophobicContact CD2-CD1 4.35Å; L107-V154 HydrophobicContact CD2-CG2 4.27Å
108R84.3Confident82.5Confident150 Ų15069.6 Ų69.657%0.56637%0.373SS*.G310 helixtrans-92.5-14.7176.1-62.6-173.770.6162.1-4.9113.3V93 Q96 Q105 F106V93-R108 HydrophobicContact CG1-CG 3.6Å; V93-R108 VanDerWaalsContact O-CD 3.32Å; V93-R108 WeakPolarHBondContact O-CD 3.2Å; Q96-R108 PolarHBondContact O-NH1 3.34Å; Q105-R108 PolarHBondContact O-N 3.29Å; F106-R108 PolarHBondContact O-N 2.67Å
109E80.1Confident83.7Confident87 Ų8767.4 Ų67.441%0.40736%0.362SS..SBendtrans-77133-176.3-63.7178.5-161.700108.7F106 N111 A112F106-E109 PolarHBondContact O-N 2.96Å; E109-N111 PolarHBondContact O-N 3.08Å; E109-A112 PolarHBondContact O-N 3.06Å
110A61.9Low84.9Confident105 Ų10560.3 Ų60.387%0.86833%0.329SS*.SBendtrans-57.8-20.1-177.400000113.4
111N63.5Low86Confident139 Ų13955.1 Ų55.174%0.74330%0.304SS*.SBendtrans-118.171.8175-62.4-17.4000109E109 G113E109-N111 PolarHBondContact O-N 3.08Å; N111-G113 PolarHBondContact O-N 3.2Å
112A62.8Low86.7Confident21 Ų2149.9 Ų49.917%0.17427%0.27CS..  trans-59.622.5179.800000115.4E109E109-A112 PolarHBondContact O-N 3.06Å
113G69Low87.1Confident49 Ų4952.5 Ų52.551%0.50528%0.279SS..  trans-87.110178.100000114.9N111 A158N111-G113 PolarHBondContact O-N 3.2Å; G113-A158 VanDerWaalsContact O-CB 3.22Å; G113-A158 WeakPolarHBondContact O-CB 3.46Å
114N83.9Confident87.2Confident83 Ų8355.7 Ų55.744%0.44429%0.292SS..  trans-127.296.6179.5-169.7-1.6000113.1F106 K116 P117F106-N114 VanDerWaalsContact CB-O 3.3Å; F106-N114 WeakPolarHBondContact CB-O 3.48Å; N114-K116 PolarHBondContact O-N 3.23Å; N114-K116 WeakPolarHBondContact OD1-CB 3.38Å; N114-K116 PolarHBondContact OD1-N 2.83Å; N114-P117 WeakPolarHBondContact O-CD 3.28Å
115L94.4Very high87.4Confident7 Ų756.2 Ų56.24%0.03730%0.296CS..  trans-82.818.9176.6-62.875.2000112.9F106 P117 L118 F119 L149 V154 A158 V159 F162F106-L115 HydrophobicContact CE2-CG 4.41Å; F106-L115 HydrophobicContact CZ-CG 4.36Å; L115-P117 VanDerWaalsContact C-CD 3.44Å; L115-P117 VanDerWaalsContact C-N 3.32Å; L115-L118 HydrophobicContact CB-CB 4.49Å; L115-L118 HydrophobicContact CD2-CD2 4.4Å; L115-L118 WeakPolarHBondContact O-CB 3.47Å; L115-L118 PolarHBondContact O-N 2.94Å; L115-F119 PolarHBondContact O-N 3.11Å; L115-L149 HydrophobicContact CD2-CD1 3.82Å; L115-V154 HydrophobicContact CD1-CG1 3.49Å; L115-V154 VanDerWaalsContact CD1-CG1 3.49Å; L115-V154 HydrophobicContact CD2-CG1 4.28Å; L115-V154 HydrophobicContact CG-CG1 4.19Å; L115-A158 HydrophobicContact CD1-CB 3.59Å; L115-A158 WeakPolarHBondContact CD1-O 3.33Å; L115-V159 HydrophobicContact CD2-CG2 4.48Å; L115-F162 HydrophobicContact CB-CB 3.94Å; L115-F162 HydrophobicContact CB-CD2 4.18Å; L115-F162 HydrophobicContact CB-CG 4.22Å; L115-F162 HydrophobicContact CD2-CB 3.84Å; L115-F162 HydrophobicContact CD2-CD1 4.25Å; L115-F162 HydrophobicContact CD2-CG 3.98Å; L115-F162 HydrophobicContact CG-CB 4.4Å
116K94Very high87.6Confident119 Ų11953 Ų5352%0.51728%0.281SS..Hα-helixtrans-50.8-43.7176.2177.7177.7-178.7-177.20113N114 L118 F119 E120N114-K116 PolarHBondContact O-N 3.23Å; N114-K116 WeakPolarHBondContact OD1-CB 3.38Å; N114-K116 PolarHBondContact OD1-N 2.83Å; K116-L118 VanDerWaalsContact C-N 3.27Å; K116-L118 PolarHBondContact O-N 3.25Å; K116-F119 PolarHBondContact O-N 2.84Å; K116-E120 HydrophobicContact CG-CG 4.04Å; K116-E120 WeakPolarHBondContact O-CB 3.45Å; K116-E120 VanDerWaalsContact O-CG 3.24Å; K116-E120 WeakPolarHBondContact O-CG 3.44Å; K116-E120 PolarHBondContact O-N 3.12Å
117P94.7Very high87.7Confident24 Ų2457.3 Ų57.316%0.15630%0.3CS..Hα-helixtrans-59.1-37.2177.6-24.735.8000113.3P103 Q105 N114 L115 F121P103-P117 CarbonylContact O-C 3.59Å; Q105-P117 HydrophobicContact CG-CB 3.84Å; Q105-P117 HydrophobicContact CG-CG 3.67Å; N114-P117 WeakPolarHBondContact O-CD 3.28Å; L115-P117 VanDerWaalsContact C-CD 3.44Å; L115-P117 VanDerWaalsContact C-N 3.32Å; P117-F121 PolarHBondContact O-N 3.22Å
118L96.9Very high87.4Confident0 Ų060.9 Ų60.90%032%0.324CS..Hα-helixtrans-71-42176.2-175.660.4000111.9V52 L84 P103 L104 F106 L115 K116 E120 F121 V122 F162V52-L118 HydrophobicContact CG1-CD1 4.33Å; L84-L118 HydrophobicContact CD2-CD1 3.54Å; P103-L118 HydrophobicContact CB-CD1 4.24Å; P103-L118 WeakPolarHBondContact O-CA 3.37Å; P103-L118 PolarHBondContact O-N 3.48Å; P103-L118 VanDerWaalsContact O-N 3.17Å; L104-L118 HydrophobicContact CD2-CD1 4.24Å; F106-L118 HydrophobicContact CE1-CB 3.94Å; F106-L118 HydrophobicContact CE1-CD2 4.44Å; L115-L118 HydrophobicContact CB-CB 4.49Å; L115-L118 HydrophobicContact CD2-CD2 4.4Å; L115-L118 WeakPolarHBondContact O-CB 3.47Å; L115-L118 PolarHBondContact O-N 2.94Å; K116-L118 VanDerWaalsContact C-N 3.27Å; K116-L118 PolarHBondContact O-N 3.25Å; L118-E120 VanDerWaalsContact C-N 3.33Å; L118-F121 HydrophobicContact CD1-CD1 4.45Å; L118-F121 WeakPolarHBondContact O-CB 3.33Å; L118-F121 PolarHBondContact O-N 2.9Å; L118-V122 WeakPolarHBondContact O-CG2 3.31Å; L118-V122 PolarHBondContact O-N 3.02Å; L118-F162 HydrophobicContact CB-CE2 4.14Å; L118-F162 HydrophobicContact CD2-CD2 4.44Å; L118-F162 HydrophobicContact CD2-CE1 4.18Å; L118-F162 HydrophobicContact CD2-CE2 3.9Å; L118-F162 HydrophobicContact CD2-CZ 3.76Å; L118-F162 HydrophobicContact CG-CD2 4.45Å; L118-F162 HydrophobicContact CG-CE2 3.68Å; L118-F162 HydrophobicContact CG-CZ 3.86Å
119F97.6Very high87.2Confident22 Ų2258.9 Ų58.910%0.09633%0.328CS..Hα-helixtrans-60-44.6173.6167-106.5000111.6L115 K116 F121 V122 R123 F162 T169L115-F119 PolarHBondContact O-N 3.11Å; K116-F119 PolarHBondContact O-N 2.84Å; F119-F121 VanDerWaalsContact C-N 3.35Å; F119-F121 PolarHBondContact O-N 3.25Å; F119-V122 PolarHBondContact O-N 2.83Å; F119-R123 HydrophobicContact CZ-CB 4.49Å; F119-R123 WeakPolarHBondContact O-CB 3.18Å; F119-R123 PolarHBondContact O-N 3.01Å; F119-F162 HydrophobicContact CB-CD2 4Å; F119-F162 HydrophobicContact CB-CE2 4.19Å; F119-T169 WeakPolarHBondContact CZ-OG1 3.32Å
120E96.9Very high86.3Confident49 Ų4962.4 Ų62.423%0.22935%0.35CS..Hα-helixtrans-60.6-45.2177.6-74.1-65169.200111.1K116 L118 V122 R123 E124K116-E120 HydrophobicContact CG-CG 4.04Å; K116-E120 WeakPolarHBondContact O-CB 3.45Å; K116-E120 VanDerWaalsContact O-CG 3.24Å; K116-E120 WeakPolarHBondContact O-CG 3.44Å; K116-E120 PolarHBondContact O-N 3.12Å; L118-E120 VanDerWaalsContact C-N 3.33Å; E120-V122 PolarHBondContact O-N 2.93Å; E120-R123 PolarHBondContact O-N 2.76Å; E120-R123 IonicContact OE1-CZ 2.61Å; E120-R123 VanDerWaalsContact OE1-CZ 3.29Å; E120-R123 IonicContact OE1-NE 2.83Å; E120-R123 IonicContact OE1-NH1 3.1Å; E120-R123 IonicContact OE1-NH2 2.67Å; E120-R123 PolarHBondContact OE1-NH2 3.34Å; E120-R123 IonicContact OE2-CZ 3.6Å; E120-R123 IonicContact OE2-NE 2.72Å; E120-R123 PolarHBondContact OE2-NE 2.88Å; E120-R123 VanDerWaalsContact OE2-NE 3.1Å; E120-R123 IonicContact OE2-NH2 2.7Å; E120-R123 PolarHBondContact OE2-NH2 3.35Å; E120-E124 WeakPolarHBondContact O-CG 3.38Å; E120-E124 PolarHBondContact O-N 3.49Å
121F97.6Very high85.9Confident49 Ų4961.5 Ų61.522%0.21535%0.351CS..Hα-helixtrans-55.4-48.4171.9168.8-96.5000112.5V52 V82 L84 P103 P117 L118 F119 R123 E124 A125V52-F121 HydrophobicContact CG2-CE1 4.4Å; V82-F121 HydrophobicContact CG1-CE2 4.21Å; V82-F121 HydrophobicContact CG1-CZ 3.76Å; L84-F121 HydrophobicContact CB-CE1 3.79Å; L84-F121 HydrophobicContact CB-CZ 3.87Å; L84-F121 HydrophobicContact CD2-CD1 4.14Å; L84-F121 HydrophobicContact CD2-CE1 3.98Å; L84-F121 HydrophobicContact CG-CE1 4.43Å; P103-F121 HydrophobicContact CB-CB 3.8Å; P103-F121 HydrophobicContact CB-CD1 4.47Å; P103-F121 HydrophobicContact CB-CD2 4.34Å; P103-F121 HydrophobicContact CB-CG 3.95Å; P103-F121 HydrophobicContact CG-CB 3.81Å; P103-F121 HydrophobicContact CG-CD2 3.58Å; P103-F121 HydrophobicContact CG-CE2 4.28Å; P103-F121 HydrophobicContact CG-CG 3.7Å; P117-F121 PolarHBondContact O-N 3.22Å; L118-F121 HydrophobicContact CD1-CD1 4.45Å; L118-F121 WeakPolarHBondContact O-CB 3.33Å; L118-F121 PolarHBondContact O-N 2.9Å; F119-F121 VanDerWaalsContact C-N 3.35Å; F119-F121 PolarHBondContact O-N 3.25Å; F121-R123 VanDerWaalsContact C-N 3.34Å; F121-R123 PolarHBondContact O-N 3.08Å; F121-E124 PolarHBondContact O-N 2.89Å; F121-A125 VanDerWaalsContact O-CB 3.23Å; F121-A125 WeakPolarHBondContact O-CB 3.47Å; F121-A125 PolarHBondContact O-N 3.44Å
122V98.2Very high85.5Confident2 Ų257.5 Ų57.51%0.01234%0.343CS..Hα-helixtrans-60.9-45178.1168.10000111.1V52 L118 F119 E120 A125 L126 L141 F162 V170V52-V122 HydrophobicContact CG2-CG2 3.97Å; L118-V122 WeakPolarHBondContact O-CG2 3.31Å; L118-V122 PolarHBondContact O-N 3.02Å; F119-V122 PolarHBondContact O-N 2.83Å; E120-V122 PolarHBondContact O-N 2.93Å; V122-A125 PolarHBondContact O-N 3.01Å; V122-L126 HydrophobicContact CG1-CD1 4.08Å; V122-L126 WeakPolarHBondContact O-CB 3.36Å; V122-L126 PolarHBondContact O-N 3.04Å; V122-L141 HydrophobicContact CG1-CD1 3.95Å; V122-L141 HydrophobicContact CG1-CD2 3.99Å; V122-L141 HydrophobicContact CG1-CG 4.43Å; V122-L141 HydrophobicContact CG2-CD1 3.91Å; V122-F162 HydrophobicContact CG2-CE2 4.44Å; V122-F162 HydrophobicContact CG2-CZ 4.34Å; V122-V170 HydrophobicContact CG1-CG2 4.4Å
123R97.1Very high85.1Confident89 Ų8966.9 Ų66.934%0.33638%0.383SS..Hα-helixtrans-59.5-52.9179.1-177.5174.974.4175.52.8110.6F119 E120 F121 A125 L126 K127 T169F119-R123 HydrophobicContact CZ-CB 4.49Å; F119-R123 WeakPolarHBondContact O-CB 3.18Å; F119-R123 PolarHBondContact O-N 3.01Å; E120-R123 PolarHBondContact O-N 2.76Å; E120-R123 IonicContact OE1-CZ 2.61Å; E120-R123 VanDerWaalsContact OE1-CZ 3.29Å; E120-R123 IonicContact OE1-NE 2.83Å; E120-R123 IonicContact OE1-NH1 3.1Å; E120-R123 IonicContact OE1-NH2 2.67Å; E120-R123 PolarHBondContact OE1-NH2 3.34Å; E120-R123 IonicContact OE2-CZ 3.6Å; E120-R123 IonicContact OE2-NE 2.72Å; E120-R123 PolarHBondContact OE2-NE 2.88Å; E120-R123 VanDerWaalsContact OE2-NE 3.1Å; E120-R123 IonicContact OE2-NH2 2.7Å; E120-R123 PolarHBondContact OE2-NH2 3.35Å; F121-R123 VanDerWaalsContact C-N 3.34Å; F121-R123 PolarHBondContact O-N 3.08Å; R123-A125 PolarHBondContact O-N 3.18Å; R123-L126 PolarHBondContact O-N 2.99Å; R123-K127 WeakPolarHBondContact O-CG 3.49Å; R123-K127 PolarHBondContact O-N 2.88Å; R123-T169 HydrophobicContact CG-CG2 4.27Å
124E96.1Very high84.6Confident89 Ų8967.2 Ų67.242%0.41638%0.381SS..Hα-helixtrans-60.1-44.8178.3-66.3-49.7125.500111.9E120 F121 L126 K127E120-E124 WeakPolarHBondContact O-CG 3.38Å; E120-E124 PolarHBondContact O-N 3.49Å; F121-E124 PolarHBondContact O-N 2.89Å; E124-L126 VanDerWaalsContact C-N 3.25Å; E124-L126 PolarHBondContact O-N 2.89Å; E124-K127 VanDerWaalsContact CD-CE 3.4Å; E124-K127 PolarHBondContact O-N 3.44Å; E124-K127 WeakPolarHBondContact OE1-CE 3.33Å; E124-K127 IonicContact OE1-NZ 3.69Å; E124-K127 PolarHBondContact OE1-NZ 3.37Å; E124-K127 WeakPolarHBondContact OE2-CD 2.94Å; E124-K127 WeakPolarHBondContact OE2-CE 3.35Å; E124-K127 IonicContact OE2-NZ 3.65Å; E124-K127 PolarHBondContact OE2-NZ 3.07Å
125A96.4Very high84.5Confident11 Ų1174.2 Ų74.29%0.09140%0.401CS..Hα-helixtrans-59.4-36.517900000112.5K48 C50 V82 F121 V122 R123K48-A125 WeakPolarHBondContact CE-O 3.35Å; K48-A125 PolarHBondContact NZ-O 2.9Å; C50-A125 HydrophobicContact CB-CB 4.02Å; V82-A125 HydrophobicContact CB-CB 4.02Å; V82-A125 HydrophobicContact CG1-CB 3.82Å; V82-A125 HydrophobicContact CG2-CB 4.1Å; F121-A125 VanDerWaalsContact O-CB 3.23Å; F121-A125 WeakPolarHBondContact O-CB 3.47Å; F121-A125 PolarHBondContact O-N 3.44Å; V122-A125 PolarHBondContact O-N 3.01Å; R123-A125 PolarHBondContact O-N 3.18Å
126L95.9Very high84.4Confident3 Ų376.2 Ų76.22%0.01641%0.408CS..Hα-helixtrans-98.53.2-176.4-65.6-179.4000114.5C50 V122 R123 E124 P139 L141 V170 L174C50-L126 HydrophobicContact CB-CD1 3.98Å; C50-L126 HydrophobicContact CB-CD2 3.51Å; C50-L126 HydrophobicContact CB-CG 3.6Å; V122-L126 HydrophobicContact CG1-CD1 4.08Å; V122-L126 WeakPolarHBondContact O-CB 3.36Å; V122-L126 PolarHBondContact O-N 3.04Å; R123-L126 PolarHBondContact O-N 2.99Å; E124-L126 VanDerWaalsContact C-N 3.25Å; E124-L126 PolarHBondContact O-N 2.89Å; L126-P139 HydrophobicContact CB-CB 3.97Å; L126-P139 HydrophobicContact CD1-CB 4.33Å; L126-P139 HydrophobicContact CD2-CB 3.79Å; L126-P139 HydrophobicContact CG-CB 4.24Å; L126-L141 HydrophobicContact CD1-CB 4.05Å; L126-V170 HydrophobicContact CD1-CG1 4.29Å; L126-V170 HydrophobicContact CD1-CG2 3.67Å; L126-L174 HydrophobicContact CB-CD1 4.21Å
127K91.1Very high84.3Confident90 Ų9074.2 Ų74.239%0.39141%0.406SS..  trans-53.5134.8173.9-84.4-178.4-177.9174.10110.9K48 R123 E124 V129K48-K127 PolarHBondContact NZ-O 3.02Å; R123-K127 WeakPolarHBondContact O-CG 3.49Å; R123-K127 PolarHBondContact O-N 2.88Å; E124-K127 VanDerWaalsContact CD-CE 3.4Å; E124-K127 PolarHBondContact O-N 3.44Å; E124-K127 WeakPolarHBondContact OE1-CE 3.33Å; E124-K127 IonicContact OE1-NZ 3.69Å; E124-K127 PolarHBondContact OE1-NZ 3.37Å; E124-K127 WeakPolarHBondContact OE2-CD 2.94Å; E124-K127 WeakPolarHBondContact OE2-CE 3.35Å; E124-K127 IonicContact OE2-NZ 3.65Å; E124-K127 PolarHBondContact OE2-NZ 3.07Å; K127-V129 PolarHBondContact O-N 2.74Å
128P83.9Confident84.2Confident91 Ų9173.9 Ų73.959%0.59140%0.402SS*.  trans-55.6133.1168.4-22.333.2000109.3L174P128-L174 HydrophobicContact CG-CD2 3.88Å
129V78.7Confident84.2Confident108 Ų10874.6 Ų74.666%0.65541%0.407SS*.  trans-96110.6173.3-176.20000106.8K127 G131K127-V129 PolarHBondContact O-N 2.74Å; V129-G131 PolarHBondContact O-N 3.45Å
130D61Low84.3Confident161 Ų16173.6 Ų73.686%0.86140%0.402SS*.THydrogen-bonded Turntrans-75.3109.3173.1-68.9-36.2000108.8
131G54.8Low84.3Confident86 Ų8671.2 Ų71.289%0.88739%0.391SS*.THydrogen-bonded Turntrans102.239.8161.700000119.1V129V129-G131 PolarHBondContact O-N 3.45Å
132G55.2Low84.4Confident55 Ų5569 Ų6957%0.56738%0.381SS*.  trans-116.7160.2169.400000114.6A134G132-A134 PolarHBondContact O-N 3.45Å; G132-A134 VanDerWaalsContact O-N 3.15Å
133E52.8Low84.4Confident217 Ų21768.9 Ų68.9100%1.01438%0.38SS*.SBendtrans-61.7-16.8-177.9-68.3-176.7158.600115
134A59.6Low84.4Confident56 Ų5665 Ų6546%0.46337%0.366SS..  trans-117.295.3177.500000111.2G132 W136G132-A134 PolarHBondContact O-N 3.45Å; G132-A134 VanDerWaalsContact O-N 3.15Å; A134-W136 HydrophobicContact CB-CH2 3.97Å; A134-W136 HydrophobicContact CB-CZ2 4.2Å; A134-W136 HydrophobicContact CB-CZ3 4.26Å; A134-W136 PolarHBondContact O-N 3.07Å
135R82.4Confident84.3Confident230 Ų23061.9 Ų61.987%0.86835%0.353SS*.  trans-74.3109170.1-174.5176178.9173.81.1109.2N46N46-R135 PolarHBondContact ND2-O 3Å
136W91.3Very high84.3Confident49 Ų4961.3 Ų61.319%0.18635%0.348CS..  trans-66.6147.2171-52.4124.6000111N46 K48 R78 Q80 A134N46-W136 WeakPolarHBondContact O-CA 3.35Å; N46-W136 VanDerWaalsContact OD1-CZ3 3.3Å; N46-W136 WeakPolarHBondContact OD1-CZ3 3.46Å; K48-W136 HydrophobicContact CB-CB 3.94Å; K48-W136 HydrophobicContact CB-CG 3.78Å; K48-W136 HydrophobicContact CG-CG 4.41Å; R78-W136 HydrophobicContact CB-CH2 4.49Å; R78-W136 WeakPolarHBondContact O-CZ2 3.33Å; Q80-W136 HydrophobicContact CB-CE3 4.48Å; Q80-W136 HydrophobicContact CB-CH2 3.63Å; Q80-W136 HydrophobicContact CB-CZ2 3.83Å; Q80-W136 HydrophobicContact CB-CZ3 3.97Å; Q80-W136 HydrophobicContact CG-CD2 4.41Å; Q80-W136 HydrophobicContact CG-CE3 4.02Å; Q80-W136 HydrophobicContact CG-CH2 4.03Å; Q80-W136 HydrophobicContact CG-CZ2 4.38Å; Q80-W136 HydrophobicContact CG-CZ3 3.82Å; A134-W136 HydrophobicContact CB-CH2 3.97Å; A134-W136 HydrophobicContact CB-CZ2 4.2Å; A134-W136 HydrophobicContact CB-CZ3 4.26Å; A134-W136 PolarHBondContact O-N 3.07Å
137T92Very high84.2Confident78 Ų7861.7 Ų61.748%0.47935%0.351SS..SBendtrans-63.3-54-175.5-45.40000111.7A45 N46A45-T137 PolarHBondContact O-OG1 2.79Å; N46-T137 PolarHBondContact O-N 2.71Å; N46-T137 PolarHBondContact O-OG1 2.86Å
138Y93.6Very high84.4Confident16 Ų1657.9 Ų57.96%0.06334%0.335CS..  trans-164164.1173.451-97.5000109.4A16 Q18 Y42 C47 K48 V140A16-Y138 VanDerWaalsContact CB-OH 3.29Å; A16-Y138 WeakPolarHBondContact CB-OH 3.22Å; Q18-Y138 HydrophobicContact CG-CD1 3.8Å; Q18-Y138 HydrophobicContact CG-CE1 4.08Å; Q18-Y138 HydrophobicContact CG-CG 4.07Å; Y42-Y138 HydrophobicContact CD1-CE2 4.17Å; Y42-Y138 HydrophobicContact CE1-CE2 4Å; C47-Y138 WeakPolarHBondContact CA-O 3.38Å; C47-Y138 HydrophobicContact CB-CE2 4.44Å; C47-Y138 WeakPolarHBondContact CB-O 3.33Å; C47-Y138 WeakPolarHBondContact SG-CE2 3.23Å; K48-Y138 PolarHBondContact N-O 2.98Å; K48-Y138 VanDerWaalsContact N-O 3.16Å; Y138-V140 HydrophobicContact CD2-CG2 3.97Å; Y138-V140 HydrophobicContact CE2-CG2 3.75Å
139P96.5Very high84.9Confident16 Ų1653.6 Ų53.610%0.10431%0.307CS..EExtended strand (participates in β ladder)trans-80.1150.3178.726.7-27.6000112.8K48 L126 L174 G176 N177K48-P139 CarbonylContact O-C 3.4Å; K48-P139 WeakPolarHBondContact O-CA 3.35Å; L126-P139 HydrophobicContact CB-CB 3.97Å; L126-P139 HydrophobicContact CD1-CB 4.33Å; L126-P139 HydrophobicContact CD2-CB 3.79Å; L126-P139 HydrophobicContact CG-CB 4.24Å; P139-L174 HydrophobicContact CG-CB 3.62Å; P139-L174 HydrophobicContact CG-CD1 4.05Å; P139-L174 HydrophobicContact CG-CG 4.44Å; P139-G176 CarbonylContact O-C 3.58Å; P139-G176 WeakPolarHBondContact O-CA 3.48Å; P139-N177 PolarHBondContact O-N 3.49Å
140V98.4Very high85.6Confident0 Ų049.4 Ų49.40%028%0.281CS..EExtended strand (participates in β ladder)trans-136.4127.8178179.40000109.8Y42 C47 K48 V49 C50 Y138 N177Y42-V140 HydrophobicContact CD1-CG1 4.39Å; Y42-V140 HydrophobicContact CD1-CG2 3.57Å; Y42-V140 HydrophobicContact CD2-CG1 3.64Å; Y42-V140 HydrophobicContact CD2-CG2 4.32Å; Y42-V140 HydrophobicContact CE1-CG2 3.93Å; Y42-V140 HydrophobicContact CE2-CG1 3.86Å; Y42-V140 HydrophobicContact CG-CB 4.34Å; Y42-V140 HydrophobicContact CG-CG1 3.92Å; Y42-V140 HydrophobicContact CG-CG2 3.78Å; C47-V140 HydrophobicContact CB-CG2 3.82Å; K48-V140 PolarHBondContact O-N 3.26Å; V49-V140 CarbonylContact C-O 3.58Å; V49-V140 WeakPolarHBondContact CA-O 3.05Å; V49-V140 HydrophobicContact CG2-CB 4.33Å; C50-V140 PolarHBondContact N-O 2.93Å; Y138-V140 HydrophobicContact CD2-CG2 3.97Å; Y138-V140 HydrophobicContact CE2-CG2 3.75Å; V140-N177 CarbonylContact C-O 3.58Å; V140-N177 VanDerWaalsContact CA-O 3.25Å; V140-N177 WeakPolarHBondContact CA-O 3.49Å; V140-N177 HydrophobicContact CG2-CB 4.47Å
141L98.8Very high87.1Confident0 Ų046.9 Ų46.90%028%0.276CS..EExtended strand (participates in β ladder)trans-96.9124.9166172.663.4000109.1C50 V52 V122 L126 V143 C166 V170 N177 M178 V179C50-L141 HydrophobicContact CB-CD1 4.49Å; C50-L141 WeakPolarHBondContact O-CA 3.1Å; V52-L141 HydrophobicContact CG2-CD1 4.03Å; V122-L141 HydrophobicContact CG1-CD1 3.95Å; V122-L141 HydrophobicContact CG1-CD2 3.99Å; V122-L141 HydrophobicContact CG1-CG 4.43Å; V122-L141 HydrophobicContact CG2-CD1 3.91Å; L126-L141 HydrophobicContact CD1-CB 4.05Å; L141-V143 HydrophobicContact CD1-CG2 4.1Å; L141-V143 HydrophobicContact CD2-CG2 4.44Å; L141-V143 HydrophobicContact CG-CG2 4.08Å; L141-C166 HydrophobicContact CD2-CB 3.78Å; L141-V170 HydrophobicContact CB-CG1 4.48Å; L141-V170 HydrophobicContact CB-CG2 4.35Å; L141-N177 PolarHBondContact N-O 2.89Å; L141-M178 HydrophobicContact CB-CG 4.12Å; L141-M178 HydrophobicContact CD2-CE 3.93Å; L141-M178 HydrophobicContact CD2-CG 4.35Å; L141-M178 CarbonylContact O-C 3.59Å; L141-M178 WeakPolarHBondContact O-CA 3.33Å; L141-V179 PolarHBondContact O-N 3.31Å
142L98.8Very high88.8Confident1 Ų144.8 Ų44.81%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-116.1133.3172.1-176.465.9000109V35 F38 L39 V49 C50 F51 V52 V179V35-L142 HydrophobicContact CG1-CD1 4.33Å; V35-L142 HydrophobicContact CG1-CD2 4.09Å; V35-L142 HydrophobicContact CG1-CG 4.34Å; F38-L142 HydrophobicContact CB-CD1 4.4Å; L39-L142 HydrophobicContact CB-CD2 3.65Å; L39-L142 HydrophobicContact CD1-CD2 3.97Å; L39-L142 HydrophobicContact CG-CD2 4.32Å; V49-L142 HydrophobicContact CG1-CB 4.35Å; C50-L142 PolarHBondContact O-N 3.43Å; F51-L142 WeakPolarHBondContact CA-O 3.45Å; F51-L142 HydrophobicContact CD1-CD2 4.08Å; F51-L142 HydrophobicContact CD2-CB 3.84Å; F51-L142 HydrophobicContact CD2-CD2 3.79Å; F51-L142 HydrophobicContact CD2-CG 3.7Å; F51-L142 WeakPolarHBondContact CD2-O 3.28Å; F51-L142 HydrophobicContact CE1-CD2 4.04Å; F51-L142 HydrophobicContact CE2-CB 4.33Å; F51-L142 HydrophobicContact CE2-CD2 3.71Å; F51-L142 HydrophobicContact CE2-CG 3.67Å; F51-L142 HydrophobicContact CG-CB 4.3Å; F51-L142 HydrophobicContact CG-CD2 3.98Å; F51-L142 HydrophobicContact CG-CG 4.32Å; F51-L142 HydrophobicContact CZ-CD2 3.84Å; F51-L142 HydrophobicContact CZ-CG 4.28Å; V52-L142 PolarHBondContact N-O 3.46Å; L142-V179 CarbonylContact C-O 3.59Å; L142-V179 WeakPolarHBondContact CA-O 3.42Å; L142-V179 HydrophobicContact CD1-CB 3.55Å; L142-V179 HydrophobicContact CD1-CG1 3.65Å
143V98.5Very high90.5Very high0 Ų044.9 Ų44.90%025%0.246CC..EExtended strand (participates in β ladder)trans-130.8124.8175.1-169.30000108.6V52 L54 L141 L146 V179 I180 L181V52-V143 HydrophobicContact CB-CG2 4.3Å; V52-V143 HydrophobicContact CG1-CG1 4.5Å; V52-V143 WeakPolarHBondContact O-CA 3.46Å; L54-V143 HydrophobicContact CD1-CG1 3.86Å; L54-V143 HydrophobicContact CG-CG1 4.44Å; L141-V143 HydrophobicContact CD1-CG2 4.1Å; L141-V143 HydrophobicContact CD2-CG2 4.44Å; L141-V143 HydrophobicContact CG-CG2 4.08Å; V143-L146 HydrophobicContact CG1-CB 4.44Å; V143-L146 HydrophobicContact CG1-CD1 4.06Å; V143-V179 PolarHBondContact N-O 3.48Å; V143-I180 HydrophobicContact CB-CG1 4.38Å; V143-I180 HydrophobicContact CB-CG2 4.31Å; V143-I180 HydrophobicContact CG2-CG1 4.27Å; V143-I180 WeakPolarHBondContact O-CA 3.48Å; V143-L181 PolarHBondContact O-N 3.43Å
144D96.3Very high92.5Very high7 Ų734.6 Ų34.64%0.03720%0.197CC..SBendtrans-89.3-27.2-169.367.9-18.8000116.9V35 F51 V52 A53 L54 F55 Q56 Y61 L181V35-D144 HydrophobicContact CG1-CB 3.89Å; V35-D144 HydrophobicContact CG2-CB 4.33Å; F51-D144 HydrophobicContact CE2-CB 3.81Å; F51-D144 HydrophobicContact CZ-CB 3.98Å; V52-D144 PolarHBondContact O-N 3.35Å; A53-D144 WeakPolarHBondContact CA-OD1 3.47Å; L54-D144 PolarHBondContact N-OD1 3.04Å; F55-D144 PolarHBondContact N-OD1 3.38Å; F55-D144 PolarHBondContact N-OD2 3.12Å; Q56-D144 PolarHBondContact N-OD2 3.24Å; Y61-D144 WeakPolarHBondContact OH-CB 3.34Å; Y61-D144 VanDerWaalsContact OH-CG 3.26Å; Y61-D144 PolarHBondContact OH-OD2 2.86Å; D144-L181 WeakPolarHBondContact O-CB 3.27Å; D144-L181 VanDerWaalsContact O-CD2 3.28Å; D144-L181 WeakPolarHBondContact O-CD2 3.28Å; D144-L181 WeakPolarHBondContact O-CG 3.38Å
145D94.9Very high94.1Very high24 Ų2433.2 Ų33.213%0.12819%0.189CC..  trans-159.794.3170.9-173.4-3.7000109.5L54 F55 S147 V148 L181L54-D145 WeakPolarHBondContact CB-O 3.34Å; L54-D145 WeakPolarHBondContact CD1-O 3.24Å; F55-D145 HydrophobicContact CB-CB 3.94Å; D145-S147 PolarHBondContact O-N 3.05Å; D145-S147 VanDerWaalsContact OD1-CB 3.28Å; D145-S147 WeakPolarHBondContact OD1-CB 3.38Å; D145-S147 PolarHBondContact OD1-N 3.28Å; D145-V148 HydrophobicContact CB-CG2 3.97Å; D145-V148 PolarHBondContact O-N 3.46Å; D145-L181 HydrophobicContact CB-CD2 4.18Å
146L95.7Very high94.7Very high0 Ų022.4 Ų22.40%015%0.148CC..THydrogen-bonded Turntrans-68.1-24.9-179.4-16770.4000112.1L54 V143 V148 L149 V159 F162 I163 I180 L181 V182 L196 V200L54-L146 HydrophobicContact CD1-CD1 4.47Å; V143-L146 HydrophobicContact CG1-CB 4.44Å; V143-L146 HydrophobicContact CG1-CD1 4.06Å; L146-V148 PolarHBondContact O-N 3.43Å; L146-L149 HydrophobicContact CD1-CD1 3.65Å; L146-L149 HydrophobicContact CG-CD1 4.41Å; L146-L149 WeakPolarHBondContact O-CB 3.08Å; L146-L149 PolarHBondContact O-N 3.24Å; L146-L149 VanDerWaalsContact O-N 3.12Å; L146-V159 HydrophobicContact CD1-CG1 3.85Å; L146-V159 HydrophobicContact CD2-CG1 3.65Å; L146-V159 HydrophobicContact CG-CG1 3.61Å; L146-F162 HydrophobicContact CD1-CE1 4.4Å; L146-I163 HydrophobicContact CD1-CD1 4.08Å; L146-I163 HydrophobicContact CD2-CD1 3.77Å; L146-I163 HydrophobicContact CD2-CG1 3.79Å; L146-I180 HydrophobicContact CB-CG2 3.97Å; L146-I180 HydrophobicContact CD2-CG2 3.85Å; L146-I180 HydrophobicContact CG-CG2 4.41Å; L146-L181 WeakPolarHBondContact CB-O 3.36Å; L146-L181 PolarHBondContact N-O 2.98Å; L146-V182 HydrophobicContact CB-CG2 4.2Å; L146-V182 HydrophobicContact CD2-CG2 4.24Å; L146-L196 HydrophobicContact CD2-CD1 3.89Å; L146-L196 HydrophobicContact CD2-CD2 4.29Å; L146-L196 HydrophobicContact CD2-CG 4.43Å; L146-L196 HydrophobicContact CG-CD2 4.33Å; L146-V200 HydrophobicContact CD2-CG2 4.25Å
147S94.4Very high94.8Very high10 Ų1024.7 Ų24.77%0.0717%0.168CC..THydrogen-bonded Turntrans-64.8-24.1-178.4-56.10000112D145 L149 L150 S151 V182 H183 N193D145-S147 PolarHBondContact O-N 3.05Å; D145-S147 VanDerWaalsContact OD1-CB 3.28Å; D145-S147 WeakPolarHBondContact OD1-CB 3.38Å; D145-S147 PolarHBondContact OD1-N 3.28Å; S147-L149 PolarHBondContact O-N 3.4Å; S147-L149 VanDerWaalsContact O-N 3.15Å; S147-L150 WeakPolarHBondContact O-CB 3.35Å; S147-L150 PolarHBondContact O-N 3.28Å; S147-S151 PolarHBondContact O-N 3Å; S147-V182 WeakPolarHBondContact OG-CG1 3.45Å; S147-H183 PolarHBondContact OG-N 3.08Å; S147-H183 PolarHBondContact OG-O 3.23Å; S147-N193 PolarHBondContact OG-ND2 2.94Å
148V94.6Very high95Very high11 Ų1121.5 Ų21.57%0.06715%0.15CC..Hα-helixtrans-55.1-31.4173.2173.60000112.3L54 F55 L87 D145 L146 L150 S151 L152L54-V148 HydrophobicContact CB-CB 4.1Å; L54-V148 HydrophobicContact CB-CG1 4.27Å; L54-V148 HydrophobicContact CB-CG2 4.46Å; F55-V148 HydrophobicContact CB-CG2 4.14Å; F55-V148 HydrophobicContact CD2-CG2 4.1Å; L87-V148 HydrophobicContact CD2-CG1 4.07Å; L87-V148 HydrophobicContact CG-CG1 4.19Å; D145-V148 HydrophobicContact CB-CG2 3.97Å; D145-V148 PolarHBondContact O-N 3.46Å; L146-V148 PolarHBondContact O-N 3.43Å; V148-L150 VanDerWaalsContact C-N 3.31Å; V148-L150 PolarHBondContact O-N 3.15Å; V148-S151 WeakPolarHBondContact O-CB 3.23Å; V148-S151 PolarHBondContact O-N 3.38Å; V148-L152 HydrophobicContact CG1-CD1 4Å; V148-L152 HydrophobicContact CG1-CG 4.3Å; V148-L152 WeakPolarHBondContact O-CG 3.49Å; V148-L152 PolarHBondContact O-N 3.03Å
149L95.1Very high95.2Very high0 Ų020.8 Ų20.80%015%0.147CC..Hα-helixtrans-64.3-37.1177.5-66.6170.7000112L54 F106 L115 L146 S147 S151 L152 G153 V154 V159L54-L149 HydrophobicContact CD1-CD1 4.06Å; L54-L149 HydrophobicContact CD1-CD2 4.31Å; L54-L149 HydrophobicContact CD1-CG 3.83Å; L54-L149 HydrophobicContact CD2-CD2 4.15Å; F106-L149 HydrophobicContact CZ-CD2 4.18Å; L115-L149 HydrophobicContact CD2-CD1 3.82Å; L146-L149 HydrophobicContact CD1-CD1 3.65Å; L146-L149 HydrophobicContact CG-CD1 4.41Å; L146-L149 WeakPolarHBondContact O-CB 3.08Å; L146-L149 PolarHBondContact O-N 3.24Å; L146-L149 VanDerWaalsContact O-N 3.12Å; S147-L149 PolarHBondContact O-N 3.4Å; S147-L149 VanDerWaalsContact O-N 3.15Å; L149-S151 VanDerWaalsContact C-N 3.35Å; L149-L152 CarbonylContact O-C 3.55Å; L149-L152 PolarHBondContact O-N 3.17Å; L149-L152 VanDerWaalsContact O-N 3.17Å; L149-G153 PolarHBondContact O-N 3.43Å; L149-V154 HydrophobicContact CB-CB 4.22Å; L149-V154 HydrophobicContact CB-CG2 4.37Å; L149-V154 VanDerWaalsContact O-CB 3.23Å; L149-V154 WeakPolarHBondContact O-CB 3.45Å; L149-V154 WeakPolarHBondContact O-CG2 3.37Å; L149-V154 PolarHBondContact O-N 3.28Å; L149-V159 HydrophobicContact CB-CG2 3.96Å; L149-V159 HydrophobicContact CD1-CG1 4.11Å; L149-V159 HydrophobicContact CD1-CG2 4.25Å
150L93.9Very high95.2Very high21 Ų2121.4 Ų21.411%0.1115%0.149CC..Hα-helixtrans-62.8-45174.5-54.6-179.1000110.2S147 V148 L152 G153 V154 A156 V159 E192 N193 L196S147-L150 WeakPolarHBondContact O-CB 3.35Å; S147-L150 PolarHBondContact O-N 3.28Å; V148-L150 VanDerWaalsContact C-N 3.31Å; V148-L150 PolarHBondContact O-N 3.15Å; L150-L152 PolarHBondContact O-N 3.23Å; L150-G153 WeakPolarHBondContact O-CA 3.47Å; L150-G153 PolarHBondContact O-N 2.9Å; L150-V154 WeakPolarHBondContact CA-O 3.45Å; L150-V154 VanDerWaalsContact CD2-O 3.25Å; L150-V154 WeakPolarHBondContact CD2-O 3.22Å; L150-A156 HydrophobicContact CD2-CB 4.01Å; L150-V159 HydrophobicContact CD2-CG2 4.17Å; L150-E192 HydrophobicContact CD1-CB 4.35Å; L150-N193 HydrophobicContact CD1-CB 4.13Å; L150-L196 HydrophobicContact CD1-CB 4.32Å; L150-L196 HydrophobicContact CD1-CD2 3.83Å; L150-L196 HydrophobicContact CD2-CD2 4.35Å; L150-L196 HydrophobicContact CG-CD2 4.06Å
151S91.6Very high95.1Very high107 Ų10725.3 Ų25.375%0.74817%0.17SC*.Hα-helixtrans-63-24.9176.1-500000113.5S147 V148 L149 G153S147-S151 PolarHBondContact O-N 3Å; V148-S151 WeakPolarHBondContact O-CB 3.23Å; V148-S151 PolarHBondContact O-N 3.38Å; L149-S151 VanDerWaalsContact C-N 3.35Å; S151-G153 VanDerWaalsContact C-N 3.25Å
152L91.6Very high95.1Very high42 Ų4225.6 Ų25.622%0.2217%0.171CC..THydrogen-bonded Turntrans-84.75.9173.5-67.8172.1000113.2L87 F94 L107 V148 L149 L150L87-L152 HydrophobicContact CD2-CD2 4.44Å; F94-L152 HydrophobicContact CE2-CD2 4.44Å; L107-L152 HydrophobicContact CD1-CD1 4.31Å; L107-L152 HydrophobicContact CD2-CB 3.84Å; L107-L152 HydrophobicContact CD2-CD1 4.35Å; V148-L152 HydrophobicContact CG1-CD1 4Å; V148-L152 HydrophobicContact CG1-CG 4.3Å; V148-L152 WeakPolarHBondContact O-CG 3.49Å; V148-L152 PolarHBondContact O-N 3.03Å; L149-L152 CarbonylContact O-C 3.55Å; L149-L152 PolarHBondContact O-N 3.17Å; L149-L152 VanDerWaalsContact O-N 3.17Å; L150-L152 PolarHBondContact O-N 3.23Å
153G90.6Very high95Very high58 Ų5825.5 Ų25.560%0.59817%0.171SC*.THydrogen-bonded Turntrans87.513.5175.800000114.8L149 L150 S151L149-G153 PolarHBondContact O-N 3.43Å; L150-G153 WeakPolarHBondContact O-CA 3.47Å; L150-G153 PolarHBondContact O-N 2.9Å; S151-G153 VanDerWaalsContact C-N 3.25Å
154V93.6Very high94.9Very high0 Ų030.3 Ų30.30%019%0.193CC..  trans-86.5121.8175.8-175.20000109.1F106 L107 L115 L149 L150 A158 V159F106-V154 HydrophobicContact CD2-CG2 4.22Å; F106-V154 HydrophobicContact CE2-CG2 3.72Å; L107-V154 HydrophobicContact CD2-CG2 4.27Å; L115-V154 HydrophobicContact CD1-CG1 3.49Å; L115-V154 VanDerWaalsContact CD1-CG1 3.49Å; L115-V154 HydrophobicContact CD2-CG1 4.28Å; L115-V154 HydrophobicContact CG-CG1 4.19Å; L149-V154 HydrophobicContact CB-CB 4.22Å; L149-V154 HydrophobicContact CB-CG2 4.37Å; L149-V154 VanDerWaalsContact O-CB 3.23Å; L149-V154 WeakPolarHBondContact O-CB 3.45Å; L149-V154 WeakPolarHBondContact O-CG2 3.37Å; L149-V154 PolarHBondContact O-N 3.28Å; L150-V154 WeakPolarHBondContact CA-O 3.45Å; L150-V154 VanDerWaalsContact CD2-O 3.25Å; L150-V154 WeakPolarHBondContact CD2-O 3.22Å; V154-A158 HydrophobicContact CG1-CB 4.15Å; V154-V159 HydrophobicContact CB-CG2 4.25Å; V154-V159 HydrophobicContact CG1-CG2 3.64Å
155G93.7Very high95Very high27 Ų2736.5 Ų36.528%0.27822%0.217SC..  trans-66.6147.4179.900000113.5V157 A158 V159G155-V157 VanDerWaalsContact C-N 3.27Å; G155-V157 PolarHBondContact O-N 3.37Å; G155-V157 VanDerWaalsContact O-N 3.15Å; G155-A158 WeakPolarHBondContact O-CB 3.38Å; G155-A158 PolarHBondContact O-N 2.99Å; G155-V159 PolarHBondContact O-N 3.22Å
156A94.9Very high95.2Very high3 Ų335.4 Ų35.43%0.02521%0.211CC..Hα-helixtrans-55.4-37-174.100000114.3L150 A158 V159 L160 E192 I195 L196L150-A156 HydrophobicContact CD2-CB 4.01Å; A156-A158 PolarHBondContact O-N 3.43Å; A156-V159 PolarHBondContact O-N 3.5Å; A156-L160 WeakPolarHBondContact O-CG 3.47Å; A156-L160 PolarHBondContact O-N 3.06Å; A156-E192 HydrophobicContact CB-CB 4.17Å; A156-E192 WeakPolarHBondContact CB-O 3.46Å; A156-I195 HydrophobicContact CB-CB 4.21Å; A156-I195 HydrophobicContact CB-CG2 3.98Å; A156-L196 HydrophobicContact CB-CB 4.37Å
157V94.5Very high95.2Very high97 Ų9739.3 Ų39.359%0.58823%0.226SC*.Hα-helixtrans-62.2-43.2178.21790000111.5G155 V159 L160 D161G155-V157 VanDerWaalsContact C-N 3.27Å; G155-V157 PolarHBondContact O-N 3.37Å; G155-V157 VanDerWaalsContact O-N 3.15Å; V157-V159 VanDerWaalsContact C-N 3.31Å; V157-V159 PolarHBondContact O-N 3.29Å; V157-L160 WeakPolarHBondContact O-CB 3.34Å; V157-L160 PolarHBondContact O-N 3.19Å; V157-D161 PolarHBondContact O-N 3.21Å
158A95.3Very high95.4Very high12 Ų1240.9 Ų40.910%0.09924%0.239CC..Hα-helixtrans-66-36.4178.700000111.8G113 L115 V154 G155 A156 D161 F162G113-A158 VanDerWaalsContact O-CB 3.22Å; G113-A158 WeakPolarHBondContact O-CB 3.46Å; L115-A158 HydrophobicContact CD1-CB 3.59Å; L115-A158 WeakPolarHBondContact CD1-O 3.33Å; V154-A158 HydrophobicContact CG1-CB 4.15Å; G155-A158 WeakPolarHBondContact O-CB 3.38Å; G155-A158 PolarHBondContact O-N 2.99Å; A156-A158 PolarHBondContact O-N 3.43Å; A158-D161 PolarHBondContact O-N 3.48Å; A158-F162 PolarHBondContact O-N 3.35Å
159V97Very high95.5Very high0 Ų041 Ų410%024%0.24CC..Hα-helixtrans-65.5-42.2173.1-176.30000110.7L115 L146 L149 L150 V154 G155 A156 V157 D161 F162 I163 L196L115-V159 HydrophobicContact CD2-CG2 4.48Å; L146-V159 HydrophobicContact CD1-CG1 3.85Å; L146-V159 HydrophobicContact CD2-CG1 3.65Å; L146-V159 HydrophobicContact CG-CG1 3.61Å; L149-V159 HydrophobicContact CB-CG2 3.96Å; L149-V159 HydrophobicContact CD1-CG1 4.11Å; L149-V159 HydrophobicContact CD1-CG2 4.25Å; L150-V159 HydrophobicContact CD2-CG2 4.17Å; V154-V159 HydrophobicContact CB-CG2 4.25Å; V154-V159 HydrophobicContact CG1-CG2 3.64Å; G155-V159 PolarHBondContact O-N 3.22Å; A156-V159 PolarHBondContact O-N 3.5Å; V157-V159 VanDerWaalsContact C-N 3.31Å; V157-V159 PolarHBondContact O-N 3.29Å; V159-D161 PolarHBondContact O-N 3.4Å; V159-F162 WeakPolarHBondContact O-CB 3.47Å; V159-F162 PolarHBondContact O-N 3.04Å; V159-I163 WeakPolarHBondContact O-CG1 3.29Å; V159-I163 PolarHBondContact O-N 3.24Å; V159-L196 HydrophobicContact CB-CD1 3.98Å; V159-L196 HydrophobicContact CG1-CD1 3.53Å; V159-L196 HydrophobicContact CG1-CD2 4.26Å
160L97.1Very high95.6Very high30 Ų3041.1 Ų41.116%0.15724%0.24CC..Hα-helixtrans-64.1-38.5176.1-72.4171.6000112.5A156 V157 F162 I163 H164 I195 L196 V200A156-L160 WeakPolarHBondContact O-CG 3.47Å; A156-L160 PolarHBondContact O-N 3.06Å; V157-L160 WeakPolarHBondContact O-CB 3.34Å; V157-L160 PolarHBondContact O-N 3.19Å; L160-F162 VanDerWaalsContact C-N 3.35Å; L160-I163 PolarHBondContact O-N 3.2Å; L160-H164 WeakPolarHBondContact O-CB 3.48Å; L160-H164 PolarHBondContact O-N 2.97Å; L160-I195 HydrophobicContact CD1-CG2 3.95Å; L160-L196 HydrophobicContact CD2-CD1 4.01Å; L160-L196 HydrophobicContact CG-CD1 4.18Å; L160-V200 HydrophobicContact CD2-CG2 3.97Å
161D96.5Very high95.8Very high81 Ų8140.5 Ų40.543%0.43324%0.238SC..Hα-helixtrans-61.1-44.5172.8-73.9-22.2000110.9V157 A158 V159 I163 H164 Y165V157-D161 PolarHBondContact O-N 3.21Å; A158-D161 PolarHBondContact O-N 3.48Å; V159-D161 PolarHBondContact O-N 3.4Å; D161-I163 PolarHBondContact O-N 2.92Å; D161-H164 WeakPolarHBondContact O-CB 3.15Å; D161-H164 PolarHBondContact O-N 2.79Å; D161-H164 VanDerWaalsContact O-N 3.15Å; D161-Y165 HydrophobicContact CB-CE2 4.43Å; D161-Y165 WeakPolarHBondContact O-CD2 3.29Å; D161-Y165 PolarHBondContact O-N 2.95Å
162F97.6Very high95.9Very high6 Ų644.5 Ų44.53%0.02624%0.237CC..Hα-helixtrans-57.5-45.8173.8166.9-106.5000112.6L115 L118 F119 V122 L146 A158 V159 L160 H164 Y165 C166L115-F162 HydrophobicContact CB-CB 3.94Å; L115-F162 HydrophobicContact CB-CD2 4.18Å; L115-F162 HydrophobicContact CB-CG 4.22Å; L115-F162 HydrophobicContact CD2-CB 3.84Å; L115-F162 HydrophobicContact CD2-CD1 4.25Å; L115-F162 HydrophobicContact CD2-CG 3.98Å; L115-F162 HydrophobicContact CG-CB 4.4Å; L118-F162 HydrophobicContact CB-CE2 4.14Å; L118-F162 HydrophobicContact CD2-CD2 4.44Å; L118-F162 HydrophobicContact CD2-CE1 4.18Å; L118-F162 HydrophobicContact CD2-CE2 3.9Å; L118-F162 HydrophobicContact CD2-CZ 3.76Å; L118-F162 HydrophobicContact CG-CD2 4.45Å; L118-F162 HydrophobicContact CG-CE2 3.68Å; L118-F162 HydrophobicContact CG-CZ 3.86Å; F119-F162 HydrophobicContact CB-CD2 4Å; F119-F162 HydrophobicContact CB-CE2 4.19Å; V122-F162 HydrophobicContact CG2-CE2 4.44Å; V122-F162 HydrophobicContact CG2-CZ 4.34Å; L146-F162 HydrophobicContact CD1-CE1 4.4Å; A158-F162 PolarHBondContact O-N 3.35Å; V159-F162 WeakPolarHBondContact O-CB 3.47Å; V159-F162 PolarHBondContact O-N 3.04Å; L160-F162 VanDerWaalsContact C-N 3.35Å; F162-H164 VanDerWaalsContact C-N 3.31Å; F162-H164 PolarHBondContact O-N 3.21Å; F162-Y165 PolarHBondContact O-N 2.8Å; F162-C166 WeakPolarHBondContact CE2-SG 3.3Å; F162-C166 VanDerWaalsContact CZ-SG 3.53Å; F162-C166 WeakPolarHBondContact O-CB 3.34Å; F162-C166 PolarHBondContact O-N 2.96Å; F162-C166 PolarHBondContact O-SG 3.12Å
163I97.9Very high96.1Very high0 Ų048.9 Ų48.90%026%0.256CS..Hα-helixtrans-61.8-41.5175.3-64.4-41.9000111.2L21 L146 V159 L160 D161 C166 R167 M178 I180 V200L21-I163 HydrophobicContact CD2-CG2 4.47Å; L146-I163 HydrophobicContact CD1-CD1 4.08Å; L146-I163 HydrophobicContact CD2-CD1 3.77Å; L146-I163 HydrophobicContact CD2-CG1 3.79Å; V159-I163 WeakPolarHBondContact O-CG1 3.29Å; V159-I163 PolarHBondContact O-N 3.24Å; L160-I163 PolarHBondContact O-N 3.2Å; D161-I163 PolarHBondContact O-N 2.92Å; I163-C166 PolarHBondContact O-N 3.22Å; I163-R167 VanDerWaalsContact O-CB 3.25Å; I163-R167 WeakPolarHBondContact O-CB 3.41Å; I163-R167 PolarHBondContact O-N 3.01Å; I163-M178 HydrophobicContact CG2-CE 4.43Å; I163-I180 HydrophobicContact CD1-CD1 3.4Å; I163-I180 HydrophobicContact CG1-CD1 4.23Å; I163-I180 HydrophobicContact CG2-CD1 4.27Å; I163-V200 HydrophobicContact CG1-CG2 4.28Å
164H96.9Very high96.2Very high100 Ų10047.8 Ų47.846%0.46324%0.236SC..Hα-helixtrans-60.7-50178.2-178.678.3000111.8L160 D161 F162 R167 A168L160-H164 WeakPolarHBondContact O-CB 3.48Å; L160-H164 PolarHBondContact O-N 2.97Å; D161-H164 WeakPolarHBondContact O-CB 3.15Å; D161-H164 PolarHBondContact O-N 2.79Å; D161-H164 VanDerWaalsContact O-N 3.15Å; F162-H164 VanDerWaalsContact C-N 3.31Å; F162-H164 PolarHBondContact O-N 3.21Å; H164-R167 PolarHBondContact O-N 2.83Å; H164-A168 PolarHBondContact O-N 2.84Å
165Y97.7Very high96.3Very high138 Ų13852.3 Ų52.354%0.54126%0.256SS..Hα-helixtrans-62.5-44.6177.2-74.5-64.7000112D161 F162 R167 A168 T169D161-Y165 HydrophobicContact CB-CE2 4.43Å; D161-Y165 WeakPolarHBondContact O-CD2 3.29Å; D161-Y165 PolarHBondContact O-N 2.95Å; F162-Y165 PolarHBondContact O-N 2.8Å; Y165-R167 VanDerWaalsContact C-N 3.29Å; Y165-R167 PolarHBondContact O-N 3.15Å; Y165-A168 PolarHBondContact O-N 3.22Å; Y165-T169 PolarHBondContact O-N 3.37Å; Y165-T169 PolarHBondContact O-OG1 2.92Å
166C98.2Very high96.5Very high0 Ų051 Ų510%024%0.242CC..Hα-helixtrans-59.4-40.7174.7-72.40000111.8L141 F162 I163 T169 V170 M178L141-C166 HydrophobicContact CD2-CB 3.78Å; F162-C166 WeakPolarHBondContact CE2-SG 3.3Å; F162-C166 VanDerWaalsContact CZ-SG 3.53Å; F162-C166 WeakPolarHBondContact O-CB 3.34Å; F162-C166 PolarHBondContact O-N 2.96Å; F162-C166 PolarHBondContact O-SG 3.12Å; I163-C166 PolarHBondContact O-N 3.22Å; C166-T169 PolarHBondContact O-N 2.79Å; C166-V170 WeakPolarHBondContact O-CA 3.36Å; C166-V170 WeakPolarHBondContact O-CB 3.45Å; C166-V170 WeakPolarHBondContact O-CG2 3.25Å; C166-V170 PolarHBondContact O-N 3.19Å; C166-M178 VanDerWaalsContact C-SD 3.56Å; C166-M178 HydrophobicContact CB-CE 3.65Å; C166-M178 HydrophobicContact CB-SD 4.12Å
167R97.1Very high96.6Very high83 Ų8351 Ų5131%0.31324%0.242SC..Iπ-helixtrans-67.7-40.5178.2-173.7177.9173-79.8-1.8112.1I163 H164 Y165 C171 W172 M178I163-R167 VanDerWaalsContact O-CB 3.25Å; I163-R167 WeakPolarHBondContact O-CB 3.41Å; I163-R167 PolarHBondContact O-N 3.01Å; H164-R167 PolarHBondContact O-N 2.83Å; Y165-R167 VanDerWaalsContact C-N 3.29Å; Y165-R167 PolarHBondContact O-N 3.15Å; R167-C171 HydrophobicContact CG-CB 4.21Å; R167-C171 VanDerWaalsContact O-CB 3.29Å; R167-C171 WeakPolarHBondContact O-CB 3.33Å; R167-C171 PolarHBondContact O-N 3.04Å; R167-C171 VanDerWaalsContact O-N 3.08Å; R167-W172 PolarHBondContact O-N 2.78Å; R167-M178 WeakPolarHBondContact CA-SD 3.45Å; R167-M178 HydrophobicContact CB-CE 4.46Å; R167-M178 HydrophobicContact CB-SD 3.87Å; R167-M178 HydrophobicContact CG-SD 4.48Å; R167-M178 PolarHBondContact N-SD 3.27Å; R167-M178 VanDerWaalsContact N-SD 3.44Å
168A97.6Very high96.8Very high43 Ų4346.4 Ų46.436%0.35521%0.214SC..Iπ-helixtrans-61.7-44.8175.200000111.6H164 Y165 W172 E173H164-A168 PolarHBondContact O-N 2.84Å; Y165-A168 PolarHBondContact O-N 3.22Å; A168-W172 VanDerWaalsContact O-CB 3.3Å; A168-W172 WeakPolarHBondContact O-CB 3.24Å; A168-E173 PolarHBondContact O-N 2.93Å
169T97.7Very high97Very high14 Ų1445.8 Ų45.89%0.08621%0.209CC..Iπ-helixtrans-77.5-55.2179.7-61.70000112.3F119 R123 Y165 C166 E173 L174F119-T169 WeakPolarHBondContact CZ-OG1 3.32Å; R123-T169 HydrophobicContact CG-CG2 4.27Å; Y165-T169 PolarHBondContact O-N 3.37Å; Y165-T169 PolarHBondContact O-OG1 2.92Å; C166-T169 PolarHBondContact O-N 2.79Å; T169-E173 WeakPolarHBondContact O-CB 3.45Å; T169-E173 PolarHBondContact O-N 2.75Å; T169-L174 HydrophobicContact CG2-CD1 4.09Å; T169-L174 HydrophobicContact CG2-CG 4.38Å; T169-L174 WeakPolarHBondContact O-CB 3.39Å; T169-L174 WeakPolarHBondContact O-CG 3.44Å; T169-L174 PolarHBondContact O-N 2.87Å
170V97.5Very high97Very high1 Ų145.8 Ų45.81%0.00621%0.209CC..Iπ-helixtrans-71.6-55.5-173.1-178.70000111.2V122 L126 L141 C166 K175 G176 M178V122-V170 HydrophobicContact CG1-CG2 4.4Å; L126-V170 HydrophobicContact CD1-CG1 4.29Å; L126-V170 HydrophobicContact CD1-CG2 3.67Å; L141-V170 HydrophobicContact CB-CG1 4.48Å; L141-V170 HydrophobicContact CB-CG2 4.35Å; C166-V170 WeakPolarHBondContact O-CA 3.36Å; C166-V170 WeakPolarHBondContact O-CB 3.45Å; C166-V170 WeakPolarHBondContact O-CG2 3.25Å; C166-V170 PolarHBondContact O-N 3.19Å; V170-K175 PolarHBondContact O-N 3.27Å; V170-G176 WeakPolarHBondContact O-CA 3.34Å; V170-G176 PolarHBondContact O-N 3.03Å; V170-M178 HydrophobicContact CB-CG 4.08Å; V170-M178 HydrophobicContact CB-SD 4.25Å; V170-M178 HydrophobicContact CG1-CG 3.97Å
171C96.3Very high97.1Very high8 Ų844.7 Ų44.75%0.05420%0.203CC..Iπ-helixtrans-77.4-41.5-173.5-63.50000112.7G19 R167 G176G19-C171 WeakPolarHBondContact CA-O 3.32Å; R167-C171 HydrophobicContact CG-CB 4.21Å; R167-C171 VanDerWaalsContact O-CB 3.29Å; R167-C171 WeakPolarHBondContact O-CB 3.33Å; R167-C171 PolarHBondContact O-N 3.04Å; R167-C171 VanDerWaalsContact O-N 3.08Å; C171-G176 WeakPolarHBondContact CA-O 3.48Å
172W94.3Very high97.1Very high192 Ų19240.8 Ų40.873%0.72718%0.183SC*.Iπ-helixtrans-90.2-52-172.5179.2-102.2000113.7R167 A168 K175R167-W172 PolarHBondContact O-N 2.78Å; A168-W172 VanDerWaalsContact O-CB 3.3Å; A168-W172 WeakPolarHBondContact O-CB 3.24Å; W172-K175 WeakPolarHBondContact O-CD 3.34Å; W172-K175 WeakPolarHBondContact O-CE 3.42Å; W172-K175 PolarHBondContact O-NZ 2.72Å
173E95.5Very high96.9Very high133 Ų13343.8 Ų43.862%0.62120%0.197SC*.Iπ-helixtrans-75.9-52.8-178.2-179.3-175.9174.700111.7A168 T169 K175A168-E173 PolarHBondContact O-N 2.93Å; T169-E173 WeakPolarHBondContact O-CB 3.45Å; T169-E173 PolarHBondContact O-N 2.75Å; E173-K175 PolarHBondContact O-N 2.92Å
174L94.3Very high96.6Very high35 Ų3544.6 Ų44.618%0.18320%0.201CC..SBendtrans-86.7-3.7-174.3-59.9178.6000114.5L126 P128 P139 T169 G176L126-L174 HydrophobicContact CB-CD1 4.21Å; P128-L174 HydrophobicContact CG-CD2 3.88Å; P139-L174 HydrophobicContact CG-CB 3.62Å; P139-L174 HydrophobicContact CG-CD1 4.05Å; P139-L174 HydrophobicContact CG-CG 4.44Å; T169-L174 HydrophobicContact CG2-CD1 4.09Å; T169-L174 HydrophobicContact CG2-CG 4.38Å; T169-L174 WeakPolarHBondContact O-CB 3.39Å; T169-L174 WeakPolarHBondContact O-CG 3.44Å; T169-L174 PolarHBondContact O-N 2.87Å; L174-G176 PolarHBondContact O-N 3.15Å; L174-G176 VanDerWaalsContact O-N 3.11Å
175K95.4Very high95.7Very high95 Ų9541.9 Ų41.941%0.41319%0.193SC..  trans51.132-174-52.8-55.6-177.4-160.40113.1Q18 V170 W172 E173Q18-K175 VanDerWaalsContact CB-O 3.28Å; Q18-K175 WeakPolarHBondContact CB-O 3.41Å; Q18-K175 WeakPolarHBondContact CG-O 3.4Å; Q18-K175 PolarHBondContact OE1-O 3.09Å; V170-K175 PolarHBondContact O-N 3.27Å; W172-K175 WeakPolarHBondContact O-CD 3.34Å; W172-K175 WeakPolarHBondContact O-CE 3.42Å; W172-K175 PolarHBondContact O-NZ 2.72Å; E173-K175 PolarHBondContact O-N 2.92Å
176G96.6Very high94.8Very high0 Ų037.6 Ų37.60%019%0.191CC..  trans-87.6-174.9174.700000113.2G19 P139 V170 C171 L174G19-G176 WeakPolarHBondContact CA-O 3.49Å; G19-G176 PolarHBondContact N-O 3.04Å; P139-G176 CarbonylContact O-C 3.58Å; P139-G176 WeakPolarHBondContact O-CA 3.48Å; V170-G176 WeakPolarHBondContact O-CA 3.34Å; V170-G176 PolarHBondContact O-N 3.03Å; C171-G176 WeakPolarHBondContact CA-O 3.48Å; L174-G176 PolarHBondContact O-N 3.15Å; L174-G176 VanDerWaalsContact O-N 3.11Å
177N97.8Very high93.9Very high3 Ų341.6 Ų41.62%0.01621%0.212CC..EExtended strand (participates in β ladder)trans-121.7156.1176.3-74.2-15.2000112.1E17 Q18 G19 K20 Y42 P139 V140 L141E17-N177 PolarHBondContact O-ND2 3.45Å; E17-N177 PolarHBondContact O-OD1 2.9Å; Q18-N177 WeakPolarHBondContact CA-OD1 3.31Å; G19-N177 PolarHBondContact N-OD1 3.01Å; K20-N177 PolarHBondContact N-OD1 2.9Å; K20-N177 CarbonylContact O-C 3.55Å; K20-N177 WeakPolarHBondContact O-CA 3.49Å; Y42-N177 HydrophobicContact CE1-CB 4.34Å; Y42-N177 PolarHBondContact OH-ND2 3.17Å; P139-N177 PolarHBondContact O-N 3.49Å; V140-N177 CarbonylContact C-O 3.58Å; V140-N177 VanDerWaalsContact CA-O 3.25Å; V140-N177 WeakPolarHBondContact CA-O 3.49Å; V140-N177 HydrophobicContact CG2-CB 4.47Å; L141-N177 PolarHBondContact N-O 2.89Å
178M98.5Very high92.8Very high0 Ų043.9 Ų43.90%024%0.235CC..EExtended strand (participates in β ladder)trans-123136.6174.3-68.3175.958.900109.9K20 L21 T22 L141 I163 C166 R167 V170 I180K20-M178 PolarHBondContact O-N 3.17Å; L21-M178 WeakPolarHBondContact CA-O 3.25Å; L21-M178 HydrophobicContact CB-CB 4.44Å; L21-M178 HydrophobicContact CD1-CB 3.52Å; L21-M178 HydrophobicContact CD1-CE 4.19Å; T22-M178 PolarHBondContact N-O 2.89Å; L141-M178 HydrophobicContact CB-CG 4.12Å; L141-M178 HydrophobicContact CD2-CE 3.93Å; L141-M178 HydrophobicContact CD2-CG 4.35Å; L141-M178 CarbonylContact O-C 3.59Å; L141-M178 WeakPolarHBondContact O-CA 3.33Å; I163-M178 HydrophobicContact CG2-CE 4.43Å; C166-M178 VanDerWaalsContact C-SD 3.56Å; C166-M178 HydrophobicContact CB-CE 3.65Å; C166-M178 HydrophobicContact CB-SD 4.12Å; R167-M178 WeakPolarHBondContact CA-SD 3.45Å; R167-M178 HydrophobicContact CB-CE 4.46Å; R167-M178 HydrophobicContact CB-SD 3.87Å; R167-M178 HydrophobicContact CG-SD 4.48Å; R167-M178 PolarHBondContact N-SD 3.27Å; R167-M178 VanDerWaalsContact N-SD 3.44Å; V170-M178 HydrophobicContact CB-CG 4.08Å; V170-M178 HydrophobicContact CB-SD 4.25Å; V170-M178 HydrophobicContact CG1-CG 3.97Å; M178-I180 HydrophobicContact CE-CD1 3.67Å
179V98.6Very high92.1Very high0 Ų050.1 Ų50.10%026%0.257CS..EExtended strand (participates in β ladder)trans-130125.3169.1-178.70000108.1T22 L24 F38 Y42 L141 L142 V143T22-V179 WeakPolarHBondContact O-CA 3.27Å; L24-V179 HydrophobicContact CD1-CG1 3.64Å; L24-V179 HydrophobicContact CD2-CG1 4.14Å; L24-V179 HydrophobicContact CG-CG1 3.81Å; F38-V179 HydrophobicContact CB-CG1 4.11Å; F38-V179 HydrophobicContact CB-CG2 4.25Å; F38-V179 HydrophobicContact CD1-CG2 3.96Å; F38-V179 HydrophobicContact CD2-CG1 3.85Å; F38-V179 HydrophobicContact CE1-CG2 4.48Å; F38-V179 HydrophobicContact CE2-CG1 4.49Å; F38-V179 HydrophobicContact CG-CG1 3.95Å; F38-V179 HydrophobicContact CG-CG2 4Å; Y42-V179 HydrophobicContact CE2-CG2 3.67Å; L141-V179 PolarHBondContact O-N 3.31Å; L142-V179 CarbonylContact C-O 3.59Å; L142-V179 WeakPolarHBondContact CA-O 3.42Å; L142-V179 HydrophobicContact CD1-CB 3.55Å; L142-V179 HydrophobicContact CD1-CG1 3.65Å; V143-V179 PolarHBondContact N-O 3.48Å
180I98.4Very high91.6Very high0 Ų052 Ų520%027%0.267CS..EExtended strand (participates in β ladder)trans-134.9131.2-172.8-57.1-173.4000107.9L21 T22 L23 L24 V143 L146 I163 M178 V182L21-I180 HydrophobicContact CD1-CD1 3.81Å; L21-I180 HydrophobicContact CD1-CG1 3.94Å; T22-I180 PolarHBondContact O-N 3.04Å; L23-I180 CarbonylContact C-O 3.55Å; L23-I180 WeakPolarHBondContact CA-O 3.32Å; L24-I180 PolarHBondContact N-O 3.15Å; V143-I180 HydrophobicContact CB-CG1 4.38Å; V143-I180 HydrophobicContact CB-CG2 4.31Å; V143-I180 HydrophobicContact CG2-CG1 4.27Å; V143-I180 WeakPolarHBondContact O-CA 3.48Å; L146-I180 HydrophobicContact CB-CG2 3.97Å; L146-I180 HydrophobicContact CD2-CG2 3.85Å; L146-I180 HydrophobicContact CG-CG2 4.41Å; I163-I180 HydrophobicContact CD1-CD1 3.4Å; I163-I180 HydrophobicContact CG1-CD1 4.23Å; I163-I180 HydrophobicContact CG2-CD1 4.27Å; M178-I180 HydrophobicContact CE-CD1 3.67Å; I180-V182 HydrophobicContact CG2-CG2 4.22Å
181L98.1Very high91.3Very high6 Ų658.9 Ų58.93%0.03130%0.299CS..EExtended strand (participates in β ladder)trans-96.8136.6167-172.7149000110.6L24 V35 V143 D144 D145 L146L24-L181 HydrophobicContact CB-CB 3.96Å; L24-L181 HydrophobicContact CB-CD1 4.21Å; L24-L181 HydrophobicContact CB-CG 4.1Å; L24-L181 HydrophobicContact CD1-CB 4.44Å; L24-L181 CarbonylContact O-C 3.58Å; L24-L181 VanDerWaalsContact O-CA 3.24Å; L24-L181 WeakPolarHBondContact O-CA 3.48Å; V35-L181 HydrophobicContact CG2-CB 4.13Å; V35-L181 HydrophobicContact CG2-CD1 3.62Å; V143-L181 PolarHBondContact O-N 3.43Å; D144-L181 WeakPolarHBondContact O-CB 3.27Å; D144-L181 VanDerWaalsContact O-CD2 3.28Å; D144-L181 WeakPolarHBondContact O-CD2 3.28Å; D144-L181 WeakPolarHBondContact O-CG 3.38Å; D145-L181 HydrophobicContact CB-CD2 4.18Å; L146-L181 WeakPolarHBondContact CB-O 3.36Å; L146-L181 PolarHBondContact N-O 2.98Å
182V96.9Very high91.2Very high0 Ų062.9 Ų62.90%032%0.316CS..EExtended strand (participates in β ladder)trans-126.5120.6169.7-177.10000107.2L23 L24 C25 L146 S147 I180 L196 L197 V200L23-V182 HydrophobicContact CD1-CB 4.01Å; L23-V182 HydrophobicContact CD1-CG2 3.64Å; L24-V182 PolarHBondContact O-N 3.33Å; C25-V182 WeakPolarHBondContact CA-O 3.37Å; L146-V182 HydrophobicContact CB-CG2 4.2Å; L146-V182 HydrophobicContact CD2-CG2 4.24Å; S147-V182 WeakPolarHBondContact OG-CG1 3.45Å; I180-V182 HydrophobicContact CG2-CG2 4.22Å; V182-L196 HydrophobicContact CG1-CD2 4.21Å; V182-L196 HydrophobicContact CG1-CG 4.27Å; V182-L197 HydrophobicContact CB-CD1 3.99Å; V182-L197 HydrophobicContact CG1-CB 4.07Å; V182-L197 HydrophobicContact CG1-CD1 3.96Å; V182-V200 HydrophobicContact CG2-CB 4.49Å; V182-V200 HydrophobicContact CG2-CG2 4.4Å
183H93.8Very high91.2Very high69 Ų6953.9 Ų53.932%0.31928%0.283SS..EExtended strand (participates in β ladder)trans-70.2129.7174.3-168.363.9000110.2D26 S147 N193D26-H183 WeakPolarHBondContact OD1-CA 3.25Å; D26-H183 IonicContact OD1-CE1 2.55Å; D26-H183 IonicContact OD1-CG 3.47Å; D26-H183 IonicContact OD1-ND1 2.87Å; D26-H183 PolarHBondContact OD1-ND1 3.24Å; S147-H183 PolarHBondContact OG-N 3.08Å; S147-H183 PolarHBondContact OG-O 3.23Å; H183-N193 PolarHBondContact O-ND2 3.01Å; H183-N193 PolarHBondContact O-OD1 2.85Å
184D91.3Very high91.1Very high17 Ų1750.5 Ų50.59%0.09127%0.269CS..  trans-95.3103172.2-176.8-36.2000108.1D26 A27 G186 L197 R209D26-D184 WeakPolarHBondContact O-CB 3.26Å; D26-D184 PolarHBondContact O-N 3.46Å; A27-D184 HydrophobicContact CB-CB 4.04Å; D184-G186 PolarHBondContact O-N 2.98Å; D184-G186 PolarHBondContact OD1-N 3.21Å; D184-L197 HydrophobicContact CB-CD2 3.86Å; D184-L197 WeakPolarHBondContact OD2-CD2 2.95Å; D184-R209 IonicContact OD1-NH2 3.29Å; D184-R209 IonicContact OD2-CZ 2.59Å; D184-R209 IonicContact OD2-NE 3.52Å; D184-R209 IonicContact OD2-NH2 3.62Å; D184-R209 PolarHBondContact OD2-NH2 3.16Å
185S79.1Confident91.2Very high43 Ų4352.9 Ų52.930%0.30128%0.281SS..  trans-60.6-26.6-177.362.40000111.7D187S185-D187 PolarHBondContact O-N 3.38Å; S185-D187 VanDerWaalsContact O-N 3.11Å; S185-D187 PolarHBondContact OG-N 3.38Å
186G77.1Confident91.2Very high47 Ų4748.4 Ų48.449%0.48526%0.261SS..  trans58.212.9-166.900000113D184D184-G186 PolarHBondContact O-N 2.98Å; D184-G186 PolarHBondContact OD1-N 3.21Å
187D79.4Confident91.1Very high84 Ų8449 Ų4945%0.44926%0.264SS..  trans-90.1115.2177-169.1-11.2000108.4S185 E189 D190S185-D187 PolarHBondContact O-N 3.38Å; S185-D187 VanDerWaalsContact O-N 3.11Å; S185-D187 PolarHBondContact OG-N 3.38Å; D187-E189 PolarHBondContact O-N 2.95Å; D187-E189 PolarHBondContact OD1-N 2.96Å; D187-E189 VanDerWaalsContact OD1-N 3.12Å; D187-D190 HydrophobicContact CB-CB 4.23Å; D187-D190 PolarHBondContact O-N 3.29Å; D187-D190 VanDerWaalsContact O-N 3.15Å
188V74.6Confident91Very high131 Ų13153 Ų5379%0.79429%0.286SS*.THydrogen-bonded Turntrans-70.5-13.5-174.7-148.50000111.8
189E83.1Confident90.9Very high174 Ų17453.8 Ų53.881%0.81329%0.294SS*.THydrogen-bonded Turntrans-89.1-11177.1-60.9-174.9179.400112.6D187 E191D187-E189 PolarHBondContact O-N 2.95Å; D187-E189 PolarHBondContact OD1-N 2.96Å; D187-E189 VanDerWaalsContact OD1-N 3.12Å; E189-E191 VanDerWaalsContact C-N 3.34Å; E189-E191 PolarHBondContact O-N 2.94Å; E189-E191 VanDerWaalsContact O-N 3.11Å
190D87.9Confident90.8Very high55 Ų5553.8 Ų53.829%0.29429%0.294SS..  trans-88.768.1-179.3-165.5-9.1000111.8D187 E192 N193 D194D187-D190 HydrophobicContact CB-CB 4.23Å; D187-D190 PolarHBondContact O-N 3.29Å; D187-D190 VanDerWaalsContact O-N 3.15Å; D190-E192 PolarHBondContact O-N 2.9Å; D190-N193 HydrophobicContact CB-CB 4.11Å; D190-N193 PolarHBondContact O-N 3.48Å; D190-N193 VanDerWaalsContact OD1-CB 3.29Å; D190-N193 WeakPolarHBondContact OD1-CB 3.23Å; D190-N193 PolarHBondContact OD1-N 2.7Å; D190-N193 VanDerWaalsContact OD1-N 3.08Å; D190-N193 VanDerWaalsContact OD2-CB 3.23Å; D190-N193 WeakPolarHBondContact OD2-CB 3.36Å; D190-D194 PolarHBondContact O-N 2.72Å; D190-D194 VanDerWaalsContact O-N 3.13Å
191E91.3Very high90.6Very high145 Ų14554.8 Ų54.868%0.67830%0.301SS*.Hα-helixtrans-59.2-33.2-179.2-64.8-17617900112.7E189 D194 I195E189-E191 VanDerWaalsContact C-N 3.34Å; E189-E191 PolarHBondContact O-N 2.94Å; E189-E191 VanDerWaalsContact O-N 3.11Å; E191-D194 PolarHBondContact O-N 2.84Å; E191-I195 WeakPolarHBondContact O-CD1 3.39Å; E191-I195 WeakPolarHBondContact O-CG1 3.49Å; E191-I195 PolarHBondContact O-N 2.87Å
192E93.1Very high90.4Very high91 Ų9160.9 Ų60.943%0.42533%0.329SS..Hα-helixtrans-68.5-41.8178.9-71.9-151.6137.100112L150 A156 D190 D194 I195 L196L150-E192 HydrophobicContact CD1-CB 4.35Å; A156-E192 HydrophobicContact CB-CB 4.17Å; A156-E192 WeakPolarHBondContact CB-O 3.46Å; D190-E192 PolarHBondContact O-N 2.9Å; E192-D194 VanDerWaalsContact C-N 3.34Å; E192-I195 PolarHBondContact O-N 2.83Å; E192-L196 WeakPolarHBondContact O-CB 3.41Å; E192-L196 PolarHBondContact O-N 3.3Å
193N94.3Very high90.1Very high4 Ų463 Ų632%0.02134%0.339CS..Hα-helixtrans-62.6-42.7174.1-174-90.2000111.5S147 L150 H183 D190 I195 L196 L197S147-N193 PolarHBondContact OG-ND2 2.94Å; L150-N193 HydrophobicContact CD1-CB 4.13Å; H183-N193 PolarHBondContact O-ND2 3.01Å; H183-N193 PolarHBondContact O-OD1 2.85Å; D190-N193 HydrophobicContact CB-CB 4.11Å; D190-N193 PolarHBondContact O-N 3.48Å; D190-N193 VanDerWaalsContact OD1-CB 3.29Å; D190-N193 WeakPolarHBondContact OD1-CB 3.23Å; D190-N193 PolarHBondContact OD1-N 2.7Å; D190-N193 VanDerWaalsContact OD1-N 3.08Å; D190-N193 VanDerWaalsContact OD2-CB 3.23Å; D190-N193 WeakPolarHBondContact OD2-CB 3.36Å; N193-I195 PolarHBondContact O-N 3.32Å; N193-L196 WeakPolarHBondContact O-CB 3.48Å; N193-L196 PolarHBondContact O-N 2.95Å; N193-L197 WeakPolarHBondContact O-CB 3.37Å; N193-L197 PolarHBondContact O-N 3.2Å
194D93.6Very high90.2Very high62 Ų6259.9 Ų59.933%0.33233%0.325SS..Hα-helixtrans-60.9-44176.1-87.1-16.2000111.9D190 E191 E192 L196 N198D190-D194 PolarHBondContact O-N 2.72Å; D190-D194 VanDerWaalsContact O-N 3.13Å; E191-D194 PolarHBondContact O-N 2.84Å; E192-D194 VanDerWaalsContact C-N 3.34Å; D194-L196 VanDerWaalsContact C-N 3.33Å; D194-L196 PolarHBondContact O-N 2.85Å; D194-N198 WeakPolarHBondContact O-CB 3.49Å; D194-N198 VanDerWaalsContact O-CG 3.24Å; D194-N198 PolarHBondContact O-N 2.78Å; D194-N198 PolarHBondContact O-ND2 2.88Å
195I95.3Very high90.3Very high85 Ų8561.1 Ų61.144%0.43633%0.33SS..Hα-helixtrans-59.8-45.8175.3-71.1165.1000110.3A156 L160 E191 E192 N193 G199A156-I195 HydrophobicContact CB-CB 4.21Å; A156-I195 HydrophobicContact CB-CG2 3.98Å; L160-I195 HydrophobicContact CD1-CG2 3.95Å; E191-I195 WeakPolarHBondContact O-CD1 3.39Å; E191-I195 WeakPolarHBondContact O-CG1 3.49Å; E191-I195 PolarHBondContact O-N 2.87Å; E192-I195 PolarHBondContact O-N 2.83Å; N193-I195 PolarHBondContact O-N 3.32Å; I195-G199 PolarHBondContact O-N 2.91Å
196L96.1Very high91.1Very high0 Ų060.1 Ų60.10%032%0.321CS..Hα-helixtrans-63-53.5179.6178.961.3000111.4L146 L150 A156 V159 L160 V182 E192 N193 D194 N198 G199 V200L146-L196 HydrophobicContact CD2-CD1 3.89Å; L146-L196 HydrophobicContact CD2-CD2 4.29Å; L146-L196 HydrophobicContact CD2-CG 4.43Å; L146-L196 HydrophobicContact CG-CD2 4.33Å; L150-L196 HydrophobicContact CD1-CB 4.32Å; L150-L196 HydrophobicContact CD1-CD2 3.83Å; L150-L196 HydrophobicContact CD2-CD2 4.35Å; L150-L196 HydrophobicContact CG-CD2 4.06Å; A156-L196 HydrophobicContact CB-CB 4.37Å; V159-L196 HydrophobicContact CB-CD1 3.98Å; V159-L196 HydrophobicContact CG1-CD1 3.53Å; V159-L196 HydrophobicContact CG1-CD2 4.26Å; L160-L196 HydrophobicContact CD2-CD1 4.01Å; L160-L196 HydrophobicContact CG-CD1 4.18Å; V182-L196 HydrophobicContact CG1-CD2 4.21Å; V182-L196 HydrophobicContact CG1-CG 4.27Å; E192-L196 WeakPolarHBondContact O-CB 3.41Å; E192-L196 PolarHBondContact O-N 3.3Å; N193-L196 WeakPolarHBondContact O-CB 3.48Å; N193-L196 PolarHBondContact O-N 2.95Å; D194-L196 VanDerWaalsContact C-N 3.33Å; D194-L196 PolarHBondContact O-N 2.85Å; L196-N198 PolarHBondContact O-N 2.86Å; L196-G199 PolarHBondContact O-N 2.76Å; L196-V200 HydrophobicContact CD1-CG2 3.96Å; L196-V200 WeakPolarHBondContact O-CG2 3.43Å; L196-V200 PolarHBondContact O-N 2.86Å
197L95.5Very high92Very high13 Ų1358.6 Ų58.67%0.06830%0.302CS..Hα-helixtrans-60.8-45.2-177.4179.261.9000111.3L23 C25 V182 D184 N193 S201L23-L197 HydrophobicContact CD2-CD1 4.14Å; C25-L197 HydrophobicContact CB-CD1 4.25Å; V182-L197 HydrophobicContact CB-CD1 3.99Å; V182-L197 HydrophobicContact CG1-CB 4.07Å; V182-L197 HydrophobicContact CG1-CD1 3.96Å; D184-L197 HydrophobicContact CB-CD2 3.86Å; D184-L197 WeakPolarHBondContact OD2-CD2 2.95Å; N193-L197 WeakPolarHBondContact O-CB 3.37Å; N193-L197 PolarHBondContact O-N 3.2Å; L197-S201 WeakPolarHBondContact O-CB 3.39Å; L197-S201 PolarHBondContact O-N 3.29Å; L197-S201 PolarHBondContact O-OG 2.89Å
198N95.1Very high92.9Very high87 Ų8754.6 Ų54.647%0.46528%0.28SS..Hα-helixtrans-64.4-46.1176.3-73.2-47.4000111.1D194 L196 V200 S201 H202D194-N198 WeakPolarHBondContact O-CB 3.49Å; D194-N198 VanDerWaalsContact O-CG 3.24Å; D194-N198 PolarHBondContact O-N 2.78Å; D194-N198 PolarHBondContact O-ND2 2.88Å; L196-N198 PolarHBondContact O-N 2.86Å; N198-V200 PolarHBondContact O-N 2.72Å; N198-S201 WeakPolarHBondContact O-CB 3.43Å; N198-S201 PolarHBondContact O-N 3.26Å; N198-H202 PolarHBondContact O-CD2 2.93Å; N198-H202 PolarHBondContact O-N 3.31Å
199G95.8Very high93.9Very high17 Ų1752 Ų5218%0.17526%0.256CS..Hα-helixtrans-60.6-43.4179.800000113.3I195 L196 H202 Q203I195-G199 PolarHBondContact O-N 2.91Å; L196-G199 PolarHBondContact O-N 2.76Å; G199-H202 PolarHBondContact O-N 3.35Å; G199-Q203 WeakPolarHBondContact O-CG 3.35Å; G199-Q203 PolarHBondContact O-NE2 2.81Å
200V96.4Very high94.5Very high0 Ų043.7 Ų43.70%022%0.217CC..Hα-helixtrans-71.9-38.9176.1-177.70000110.9L23 L146 L160 I163 V182 L196 N198 H202 Q203 S204L23-V200 HydrophobicContact CB-CG1 4.47Å; L23-V200 HydrophobicContact CD1-CG1 3.85Å; L23-V200 HydrophobicContact CD2-CG1 4.41Å; L23-V200 HydrophobicContact CG-CG1 4.48Å; L146-V200 HydrophobicContact CD2-CG2 4.25Å; L160-V200 HydrophobicContact CD2-CG2 3.97Å; I163-V200 HydrophobicContact CG1-CG2 4.28Å; V182-V200 HydrophobicContact CG2-CB 4.49Å; V182-V200 HydrophobicContact CG2-CG2 4.4Å; L196-V200 HydrophobicContact CD1-CG2 3.96Å; L196-V200 WeakPolarHBondContact O-CG2 3.43Å; L196-V200 PolarHBondContact O-N 2.86Å; N198-V200 PolarHBondContact O-N 2.72Å; V200-H202 PolarHBondContact O-N 3.13Å; V200-Q203 PolarHBondContact O-N 2.9Å; V200-Q203 VanDerWaalsContact O-N 3.13Å; V200-S204 PolarHBondContact O-N 2.89Å; V200-S204 PolarHBondContact O-OG 3.24Å
201S95Very high94.8Very high20 Ų2041.7 Ų41.714%0.1421%0.206CC..Hα-helixtrans-57-40173.1-67.90000111.3L23 L197 N198 Q203 S204 R230L23-S201 WeakPolarHBondContact CD2-OG 3.45Å; L197-S201 WeakPolarHBondContact O-CB 3.39Å; L197-S201 PolarHBondContact O-N 3.29Å; L197-S201 PolarHBondContact O-OG 2.89Å; N198-S201 WeakPolarHBondContact O-CB 3.43Å; N198-S201 PolarHBondContact O-N 3.26Å; S201-Q203 PolarHBondContact O-N 2.59Å; S201-S204 PolarHBondContact O-N 3.45Å; S201-R230 PolarHBondContact O-NH1 2.94Å; S201-R230 PolarHBondContact O-NH2 2.88Å; S201-R230 VanDerWaalsContact O-NH2 3.15Å
202H93.2Very high94.8Very high134 Ų13435.7 Ų35.762%0.6218%0.184SC*.Hα-helixtrans-62-31.6179.4-79.6-61.9000113.9N198 G199 V200 R230N198-H202 PolarHBondContact O-CD2 2.93Å; N198-H202 PolarHBondContact O-N 3.31Å; G199-H202 PolarHBondContact O-N 3.35Å; V200-H202 PolarHBondContact O-N 3.13Å; H202-R230 PolarHBondContact O-NH1 2.82Å
203Q91.8Very high94.7Very high45 Ų4532.6 Ų32.621%0.2117%0.17CC..Hα-helixtrans-92.2-9.4-176.6-62-179.261.500113.8L21 G199 V200 S201L21-Q203 HydrophobicContact CD2-CB 3.86Å; G199-Q203 WeakPolarHBondContact O-CG 3.35Å; G199-Q203 PolarHBondContact O-NE2 2.81Å; V200-Q203 PolarHBondContact O-N 2.9Å; V200-Q203 VanDerWaalsContact O-N 3.13Å; S201-Q203 PolarHBondContact O-N 2.59Å
204S94.9Very high94.2Very high3 Ų337.7 Ų37.72%0.02121%0.213CC..  trans-87.1145.4-170.8-65.50000113L23 V200 S201 R230L23-S204 WeakPolarHBondContact CB-OG 3.42Å; V200-S204 PolarHBondContact O-N 2.89Å; V200-S204 PolarHBondContact O-OG 3.24Å; S201-S204 PolarHBondContact O-N 3.45Å; S204-R230 WeakPolarHBondContact O-CD 3.22Å
205H94.1Very high93.8Very high43 Ų4341.3 Ų41.320%0.19924%0.237CC..SBendtrans-96-27.5177.7-56.477.6000111.6K20 L21 R230K20-H205 HydrophobicContact CD-CB 4Å; L21-H205 PolarHBondContact N-ND1 2.85Å; L21-H205 VanDerWaalsContact N-ND1 3.15Å; L21-H205 PolarHBondContact O-N 2.89Å; H205-R230 PolarHBondContact O-N 2.99Å
206L95.1Very high93.2Very high22 Ų2239 Ų3912%0.11524%0.235CC..EExtended strand (participates in β ladder)trans-135.3132.6176.5175.762.8000107.8L9 T22 L23 L208 I227 L228 W229L9-L206 HydrophobicContact CD1-CD2 4.39Å; L9-L206 HydrophobicContact CD2-CD1 4.34Å; L9-L206 HydrophobicContact CD2-CD2 4.12Å; T22-L206 CarbonylContact C-O 3.56Å; T22-L206 WeakPolarHBondContact CA-O 3.38Å; T22-L206 HydrophobicContact CG2-CB 4.08Å; T22-L206 HydrophobicContact CG2-CD2 3.84Å; T22-L206 HydrophobicContact CG2-CG 3.96Å; L23-L206 PolarHBondContact N-O 3.44Å; L206-L208 HydrophobicContact CD1-CD2 4Å; L206-L208 HydrophobicContact CD2-CD1 4.46Å; L206-L208 HydrophobicContact CD2-CD2 4.3Å; L206-L208 HydrophobicContact CD2-CG 4.35Å; L206-L208 HydrophobicContact CG-CD2 4.12Å; L206-L208 HydrophobicContact CG-CG 4.2Å; L206-I227 HydrophobicContact CD1-CG2 3.75Å; L206-L228 WeakPolarHBondContact CA-O 3.44Å; L206-W229 HydrophobicContact CD1-CD2 4.26Å; L206-W229 HydrophobicContact CD1-CG 4.14Å
207I96.7Very high92.6Very high16 Ų1647.9 Ų47.98%0.08227%0.274CS..EExtended strand (participates in β ladder)trans-121.8124.6173.8-52.5-177.6000108.2L23 L228L23-I207 HydrophobicContact CB-CG1 4.26Å; L23-I207 HydrophobicContact CB-CG2 4.44Å; L23-I207 HydrophobicContact CD2-CD1 4.34Å; L23-I207 HydrophobicContact CD2-CG1 4.39Å; L23-I207 HydrophobicContact CD2-CG2 4.09Å; L23-I207 HydrophobicContact CG-CG2 4.28Å; L23-I207 CarbonylContact O-C 3.58Å; L23-I207 WeakPolarHBondContact O-CA 3.34Å; I207-L228 HydrophobicContact CB-CB 4.23Å; I207-L228 HydrophobicContact CD1-CD2 4.2Å; I207-L228 PolarHBondContact N-O 2.95Å; I207-L228 PolarHBondContact O-N 3.39Å
208L97.3Very high92.1Very high0 Ų049 Ų490%028%0.282CS..EExtended strand (participates in β ladder)trans-114104.1176.3-59.7-177.1000108.3L9 T22 L23 L24 C25 L34 F38 L206 L225 R226 I227L9-L208 HydrophobicContact CD1-CD1 4.27Å; L9-L208 HydrophobicContact CD2-CD2 3.82Å; T22-L208 HydrophobicContact CG2-CD1 4.42Å; L23-L208 PolarHBondContact O-N 3.11Å; L24-L208 WeakPolarHBondContact CA-O 3.22Å; L24-L208 HydrophobicContact CD2-CB 3.99Å; L24-L208 HydrophobicContact CD2-CD1 3.79Å; L24-L208 HydrophobicContact CD2-CG 4.25Å; C25-L208 PolarHBondContact N-O 3.18Å; L34-L208 HydrophobicContact CD1-CB 4.05Å; L34-L208 HydrophobicContact CD2-CD1 4.32Å; F38-L208 HydrophobicContact CE2-CD1 3.62Å; F38-L208 HydrophobicContact CZ-CD1 3.9Å; L206-L208 HydrophobicContact CD1-CD2 4Å; L206-L208 HydrophobicContact CD2-CD1 4.46Å; L206-L208 HydrophobicContact CD2-CD2 4.3Å; L206-L208 HydrophobicContact CD2-CG 4.35Å; L206-L208 HydrophobicContact CG-CD2 4.12Å; L206-L208 HydrophobicContact CG-CG 4.2Å; L208-L225 HydrophobicContact CB-CD1 4.18Å; L208-R226 WeakPolarHBondContact CA-O 3.38Å; L208-I227 HydrophobicContact CD2-CB 4.13Å; L208-I227 HydrophobicContact CD2-CG1 3.9Å; L208-I227 HydrophobicContact CD2-CG2 3.62Å
209R96.3Very high91.5Very high75 Ų7553.9 Ų53.928%0.28329%0.294SS..EExtended strand (participates in β ladder)trans-103.7108.1-178.7-163.8174.1-170.7-131.95.8110.5C25 D184 E211 L225 R226C25-R209 HydrophobicContact CB-CB 4.42Å; C25-R209 HydrophobicContact CB-CG 4.07Å; C25-R209 CarbonylContact O-C 3.59Å; C25-R209 VanDerWaalsContact O-CA 3.27Å; C25-R209 WeakPolarHBondContact O-CA 3.37Å; D184-R209 IonicContact OD1-NH2 3.29Å; D184-R209 IonicContact OD2-CZ 2.59Å; D184-R209 IonicContact OD2-NE 3.52Å; D184-R209 IonicContact OD2-NH2 3.62Å; D184-R209 PolarHBondContact OD2-NH2 3.16Å; R209-E211 WeakPolarHBondContact CD-OE1 3.4Å; R209-E211 HydrophobicContact CG-CG 3.82Å; R209-E211 IonicContact CZ-OE1 3.73Å; R209-E211 IonicContact NE-OE1 3.96Å; R209-E211 IonicContact NH1-OE1 3.44Å; R209-E211 PolarHBondContact NH1-OE1 3.47Å; R209-L225 CarbonylContact O-C 3.59Å; R209-L225 WeakPolarHBondContact O-CA 3.29Å; R209-R226 HydrophobicContact CB-CB 4.25Å; R209-R226 PolarHBondContact N-O 3.01Å; R209-R226 PolarHBondContact O-N 3.11Å
210A96.3Very high91Very high0 Ų054.7 Ų54.70%029%0.294CS..EExtended strand (participates in β ladder)trans-84.2121170.100000109.1C25 D26 A27 T29 F33 L34 Q224 Y247C25-A210 PolarHBondContact O-N 3.17Å; D26-A210 CarbonylContact C-O 3.54Å; D26-A210 VanDerWaalsContact CA-O 3.22Å; D26-A210 WeakPolarHBondContact CA-O 3.22Å; D26-A210 HydrophobicContact CB-CB 4.27Å; A27-A210 PolarHBondContact N-O 2.84Å; T29-A210 HydrophobicContact CG2-CB 3.92Å; T29-A210 WeakPolarHBondContact CG2-O 3.49Å; F33-A210 HydrophobicContact CE1-CB 4.26Å; L34-A210 HydrophobicContact CD1-CB 4.35Å; A210-Q224 CarbonylContact C-O 3.48Å; A210-Q224 WeakPolarHBondContact CA-O 3.36Å; A210-Y247 HydrophobicContact CB-CE1 4.4Å
211E94.3Very high90.7Very high13 Ų1354.9 Ų54.96%0.06130%0.295CS..EExtended strand (participates in β ladder)trans-125144.1-176.5-57.5167.914600109.8A27 R209 G223 Q224 R226A27-E211 CarbonylContact O-C 3.58Å; A27-E211 WeakPolarHBondContact O-CA 3.27Å; R209-E211 WeakPolarHBondContact CD-OE1 3.4Å; R209-E211 HydrophobicContact CG-CG 3.82Å; R209-E211 IonicContact CZ-OE1 3.73Å; R209-E211 IonicContact NE-OE1 3.96Å; R209-E211 IonicContact NH1-OE1 3.44Å; R209-E211 PolarHBondContact NH1-OE1 3.47Å; E211-G223 CarbonylContact O-C 3.47Å; E211-G223 WeakPolarHBondContact O-CA 3.38Å; E211-Q224 HydrophobicContact CB-CG 3.85Å; E211-Q224 PolarHBondContact N-O 3.2Å; E211-Q224 PolarHBondContact O-N 3.12Å; E211-Q224 PolarHBondContact OE2-NE2 3.24Å; E211-R226 IonicContact OE1-CZ 2.85Å; E211-R226 IonicContact OE1-NE 2.6Å; E211-R226 IonicContact OE1-NH1 3.94Å; E211-R226 PolarHBondContact OE1-NH1 3.13Å; E211-R226 VanDerWaalsContact OE2-CD 3.25Å; E211-R226 WeakPolarHBondContact OE2-CD 3.23Å; E211-R226 IonicContact OE2-CZ 3.33Å; E211-R226 IonicContact OE2-NE 3.73Å; E211-R226 PolarHBondContact OE2-NE 3.44Å; E211-R226 IonicContact OE2-NH1 3.37Å; E211-R226 PolarHBondContact OE2-NH1 3.19Å
212G91.8Very high90.5Very high20 Ų2057 Ų5721%0.20630%0.303CS..  trans-60.3155.7164.300000111.7A27A27-G212 PolarHBondContact O-N 3.46Å
213L89.2Confident90.5Very high25 Ų2550.6 Ų50.613%0.13127%0.273CS..  trans-73.4137.6176.1-60.1170.4000110.5T215 G216 C218 V221 Q246L213-T215 PolarHBondContact O-N 2.99Å; L213-T215 VanDerWaalsContact O-N 3.14Å; L213-G216 WeakPolarHBondContact CB-O 3.14Å; L213-G216 PolarHBondContact O-N 3.37Å; L213-C218 HydrophobicContact CD1-CB 3.92Å; L213-V221 HydrophobicContact CD1-CB 3.95Å; L213-V221 HydrophobicContact CD1-CG1 3.82Å; L213-V221 WeakPolarHBondContact CD1-O 3.46Å; L213-V221 HydrophobicContact CD2-CG1 3.95Å; L213-V221 HydrophobicContact CG-CG1 4.37Å; L213-Q246 HydrophobicContact CD2-CG 4.48Å
214A84.8Confident90.7Very high112 Ų11250 Ų5093%0.92627%0.27SS*.THydrogen-bonded Turntrans-60-26.1177.100000113.6G216A214-G216 VanDerWaalsContact C-N 3.31Å
215T85.3Confident90.7Very high137 Ų13749.8 Ų49.884%0.8427%0.269SS*.THydrogen-bonded Turntrans-85.2-0.7178.653.40000113.6L213L213-T215 PolarHBondContact O-N 2.99Å; L213-T215 VanDerWaalsContact O-N 3.14Å
216G83.4Confident90.8Very high37 Ų3753.2 Ų53.238%0.38128%0.28SS..  trans88.6-167.4-173.800000113.7L213 A214L213-G216 WeakPolarHBondContact CB-O 3.14Å; L213-G216 PolarHBondContact O-N 3.37Å; A214-G216 VanDerWaalsContact C-N 3.31Å
217F83.1Confident90.8Very high187 Ų18752.2 Ų52.282%0.8228%0.275SS*.  trans-64.8140.5-171.5177.6-97.6000113.3
218C84Confident90.7Very high36 Ų3653.8 Ų53.824%0.24328%0.283CS..  trans-133.8135.9171.3179.80000109.9L213 D220 V221L213-C218 HydrophobicContact CD1-CB 3.92Å; C218-D220 PolarHBondContact O-N 2.96Å; C218-D220 PolarHBondContact SG-N 3.15Å; C218-V221 HydrophobicContact CB-CB 4.18Å; C218-V221 WeakPolarHBondContact CB-O 3.33Å; C218-V221 CarbonylContact O-C 3.57Å
219R83.6Confident90.4Very high189 Ų18956.3 Ų56.371%0.71329%0.293SS*.SBendtrans-63.6-30.3177.9-172.2-17567.1-175.5-1.4112.8
220D85.4Confident89.8Confident34 Ų3456.1 Ų56.118%0.18229%0.292CS..SBendtrans-105.5-7.4-171.5-70.7-56.3000113C218 K248 A264C218-D220 PolarHBondContact O-N 2.96Å; C218-D220 PolarHBondContact SG-N 3.15Å; D220-K248 WeakPolarHBondContact O-CD 3.41Å; D220-K248 IonicContact OD1-NZ 3.02Å; D220-K248 PolarHBondContact OD1-NZ 3.24Å; D220-A264 HydrophobicContact CB-CB 3.97Å
221V88.6Confident88.4Confident4 Ų462.2 Ų62.22%0.02432%0.315CS..  trans-139.3112.2175.8-173.80000108.5L213 C218 Q246 F257L213-V221 HydrophobicContact CD1-CB 3.95Å; L213-V221 HydrophobicContact CD1-CG1 3.82Å; L213-V221 WeakPolarHBondContact CD1-O 3.46Å; L213-V221 HydrophobicContact CD2-CG1 3.95Å; L213-V221 HydrophobicContact CG-CG1 4.37Å; C218-V221 HydrophobicContact CB-CB 4.18Å; C218-V221 WeakPolarHBondContact CB-O 3.33Å; C218-V221 CarbonylContact O-C 3.57Å; V221-Q246 HydrophobicContact CG1-CB 3.84Å; V221-Q246 HydrophobicContact CG1-CG 4.12Å; V221-F257 HydrophobicContact CB-CE2 4.36Å; V221-F257 HydrophobicContact CB-CZ 4.14Å; V221-F257 HydrophobicContact CG1-CE2 3.88Å; V221-F257 HydrophobicContact CG1-CZ 3.8Å; V221-F257 HydrophobicContact CG2-CE2 3.66Å; V221-F257 HydrophobicContact CG2-CZ 3.69Å
222H91.5Very high86.6Confident65 Ų6566.4 Ų66.430%0.30134%0.344SS..  trans-84.5-24.7-175.1-61.9165.2000112.8Y247 I249H222-Y247 HydrophobicContact CB-CD2 4.19Å; H222-Y247 HydrophobicContact CB-CE2 3.84Å; H222-Y247 PolarHBondContact N-O 3.15Å; H222-I249 PolarHBondContact CE1-O 2.86Å; H222-I249 PolarHBondContact ND1-N 2.99Å; H222-I249 VanDerWaalsContact ND1-N 3.12Å
223G93.8Very high84.4Confident0 Ų071.2 Ų71.20%037%0.374CS..EExtended strand (participates in β ladder)trans178.8-166.6178.400000112.7E211 Q246 Y247E211-G223 CarbonylContact O-C 3.47Å; E211-G223 WeakPolarHBondContact O-CA 3.38Å; G223-Q246 WeakPolarHBondContact O-CA 3.35Å; G223-Y247 VanDerWaalsContact C-CE1 3.43Å; G223-Y247 PolarHBondContact O-N 2.72Å
224Q94.7Very high82.3Confident31 Ų3177.5 Ų77.515%0.14540%0.403CS..EExtended strand (participates in β ladder)trans-125.4143171.667.1-173.923.700111.4A210 E211 T244 Y245 Q246 Y247A210-Q224 CarbonylContact C-O 3.48Å; A210-Q224 WeakPolarHBondContact CA-O 3.36Å; E211-Q224 HydrophobicContact CB-CG 3.85Å; E211-Q224 PolarHBondContact N-O 3.2Å; E211-Q224 PolarHBondContact O-N 3.12Å; E211-Q224 PolarHBondContact OE2-NE2 3.24Å; Q224-T244 HydrophobicContact CB-CG2 4.4Å; Q224-Y245 CarbonylContact C-O 3.59Å; Q224-Y245 WeakPolarHBondContact CA-O 3.17Å; Q224-Y245 WeakPolarHBondContact CB-O 3.38Å; Q224-Q246 HydrophobicContact CB-CG 4.39Å; Q224-Y247 WeakPolarHBondContact O-CE1 3.43Å
225L96.1Very high80.4Confident0 Ų078.6 Ų78.60%040%0.4CS..EExtended strand (participates in β ladder)trans-108.6118.2174.3-178.367.6000108.5L5 L34 L208 R209 I227 T244 Y245 Y247 F256L5-L225 HydrophobicContact CD1-CD2 3.74Å; L34-L225 HydrophobicContact CD1-CD1 4.05Å; L34-L225 HydrophobicContact CD2-CD1 4.36Å; L208-L225 HydrophobicContact CB-CD1 4.18Å; R209-L225 CarbonylContact O-C 3.59Å; R209-L225 WeakPolarHBondContact O-CA 3.29Å; L225-I227 HydrophobicContact CD2-CD1 4.28Å; L225-I227 HydrophobicContact CD2-CG1 4.12Å; L225-I227 HydrophobicContact CG-CG1 4.11Å; L225-T244 WeakPolarHBondContact O-CA 3.44Å; L225-Y245 PolarHBondContact N-O 3.27Å; L225-Y245 PolarHBondContact O-N 2.85Å; L225-Y247 HydrophobicContact CB-CD1 4.05Å; L225-F256 HydrophobicContact CB-CE1 4.24Å; L225-F256 HydrophobicContact CD2-CD1 4.25Å; L225-F256 HydrophobicContact CD2-CE1 3.53Å; L225-F256 HydrophobicContact CD2-CZ 4.23Å
226R95.4Very high78.5Confident115 Ų11577.2 Ų77.243%0.43439%0.392SS..EExtended strand (participates in β ladder)trans-95128.8167-68.4-177159.4159.5-12.3109.5L208 R209 E211 L243 T244L208-R226 WeakPolarHBondContact CA-O 3.38Å; R209-R226 HydrophobicContact CB-CB 4.25Å; R209-R226 PolarHBondContact N-O 3.01Å; R209-R226 PolarHBondContact O-N 3.11Å; E211-R226 IonicContact OE1-CZ 2.85Å; E211-R226 IonicContact OE1-NE 2.6Å; E211-R226 IonicContact OE1-NH1 3.94Å; E211-R226 PolarHBondContact OE1-NH1 3.13Å; E211-R226 VanDerWaalsContact OE2-CD 3.25Å; E211-R226 WeakPolarHBondContact OE2-CD 3.23Å; E211-R226 IonicContact OE2-CZ 3.33Å; E211-R226 IonicContact OE2-NE 3.73Å; E211-R226 PolarHBondContact OE2-NE 3.44Å; E211-R226 IonicContact OE2-NH1 3.37Å; E211-R226 PolarHBondContact OE2-NH1 3.19Å; R226-L243 CarbonylContact C-O 3.59Å; R226-L243 WeakPolarHBondContact CA-O 3.45Å; R226-T244 HydrophobicContact CG-CG2 3.97Å
227I95.3Very high76.6Confident0 Ų080.3 Ų80.30%041%0.414CS..EExtended strand (participates in β ladder)trans-113122.6178.1-50175.2000107.6L8 L9 L206 L208 L225 W229 S242 L243 Y245L8-I227 HydrophobicContact CB-CD1 4.06Å; L8-I227 HydrophobicContact CD1-CD1 4.32Å; L9-I227 HydrophobicContact CD2-CD1 4.09Å; L9-I227 HydrophobicContact CD2-CG2 3.78Å; L206-I227 HydrophobicContact CD1-CG2 3.75Å; L208-I227 HydrophobicContact CD2-CB 4.13Å; L208-I227 HydrophobicContact CD2-CG1 3.9Å; L208-I227 HydrophobicContact CD2-CG2 3.62Å; L225-I227 HydrophobicContact CD2-CD1 4.28Å; L225-I227 HydrophobicContact CD2-CG1 4.12Å; L225-I227 HydrophobicContact CG-CG1 4.11Å; I227-W229 HydrophobicContact CB-CE3 4.44Å; I227-W229 HydrophobicContact CB-CH2 3.76Å; I227-W229 HydrophobicContact CB-CZ2 4.44Å; I227-W229 HydrophobicContact CB-CZ3 3.75Å; I227-W229 HydrophobicContact CD1-CH2 4.19Å; I227-W229 HydrophobicContact CG2-CD2 3.95Å; I227-W229 HydrophobicContact CG2-CE3 3.74Å; I227-W229 HydrophobicContact CG2-CH2 3.17Å; I227-W229 HydrophobicContact CG2-CZ2 3.39Å; I227-W229 HydrophobicContact CG2-CZ3 3.35Å; I227-S242 CarbonylContact O-C 3.59Å; I227-S242 VanDerWaalsContact O-CA 3.25Å; I227-S242 WeakPolarHBondContact O-CA 3.49Å; I227-L243 PolarHBondContact N-O 3.37Å; I227-L243 PolarHBondContact O-N 3.33Å; I227-Y245 HydrophobicContact CD1-CD2 4.16Å; I227-Y245 HydrophobicContact CD1-CE2 4.22Å
228L94.2Very high74.8Confident50 Ų5078.2 Ų78.226%0.26241%0.407SS..EExtended strand (participates in β ladder)trans-124.5114.7179.3176.467.3000109.3L206 I207 D240L206-L228 WeakPolarHBondContact CA-O 3.44Å; I207-L228 HydrophobicContact CB-CB 4.23Å; I207-L228 HydrophobicContact CD1-CD2 4.2Å; I207-L228 PolarHBondContact N-O 2.95Å; I207-L228 PolarHBondContact O-N 3.39Å; L228-D240 HydrophobicContact CD1-CB 3.66Å
229W91Very high73.3Confident53 Ų5387.8 Ų87.820%0.20144%0.438CS..EExtended strand (participates in β ladder)trans-94.3120.1172.7-67.1-96.2000109.5L9 L206 I227 Q241 L243L9-W229 HydrophobicContact CD2-CZ2 4.02Å; L206-W229 HydrophobicContact CD1-CD2 4.26Å; L206-W229 HydrophobicContact CD1-CG 4.14Å; I227-W229 HydrophobicContact CB-CE3 4.44Å; I227-W229 HydrophobicContact CB-CH2 3.76Å; I227-W229 HydrophobicContact CB-CZ2 4.44Å; I227-W229 HydrophobicContact CB-CZ3 3.75Å; I227-W229 HydrophobicContact CD1-CH2 4.19Å; I227-W229 HydrophobicContact CG2-CD2 3.95Å; I227-W229 HydrophobicContact CG2-CE3 3.74Å; I227-W229 HydrophobicContact CG2-CH2 3.17Å; I227-W229 HydrophobicContact CG2-CZ2 3.39Å; I227-W229 HydrophobicContact CG2-CZ3 3.35Å; W229-Q241 HydrophobicContact CE3-CB 4.35Å; W229-Q241 HydrophobicContact CE3-CG 4.49Å; W229-Q241 PolarHBondContact N-O 3.21Å; W229-L243 HydrophobicContact CH2-CD1 3.83Å; W229-L243 HydrophobicContact CH2-CG 4.43Å; W229-L243 HydrophobicContact CZ3-CB 4.22Å; W229-L243 HydrophobicContact CZ3-CD1 3.81Å; W229-L243 HydrophobicContact CZ3-CG 3.96Å
230R83.8Confident72.2Confident70 Ų7082.7 Ų82.726%0.26443%0.425SS..  trans-97.3111.9175-169.9178.8-66.1-157.3-2.2109S201 H202 S204 H205S201-R230 PolarHBondContact O-NH1 2.94Å; S201-R230 PolarHBondContact O-NH2 2.88Å; S201-R230 VanDerWaalsContact O-NH2 3.15Å; H202-R230 PolarHBondContact O-NH1 2.82Å; S204-R230 WeakPolarHBondContact O-CD 3.22Å; H205-R230 PolarHBondContact O-N 2.99Å
231R67.1Low71.5Confident128 Ų12885.7 Ų85.748%0.48344%0.437SS..  trans-87.4143.9175.7-64.6-174.7-171165.25.7109.7S233R231-S233 PolarHBondContact O-N 3.25Å
232P55.8Low71.4Confident102 Ų10289.4 Ų89.466%0.66246%0.464SS*.  trans-55.8125.1164.2-17.329.7000107.8Q234P232-Q234 PolarHBondContact O-N 3.5Å
233S47.1Very low71.4Confident121 Ų12189 Ų8985%0.84646%0.463SS*.  trans-43.499.9-175.344.60000112.6R231R231-S233 PolarHBondContact O-N 3.25Å
234Q43.9Very low71.4Confident157 Ų15791.6 Ų91.673%0.73448%0.48SS*.  trans-84.5138.5157.6-80.1-175.2-2.200108.1P232 T236P232-Q234 PolarHBondContact O-N 3.5Å; Q234-T236 PolarHBondContact O-N 2.91Å
235P45.5Very low71.4Confident134 Ų13492.6 Ų92.687%0.8748%0.482SS*.SBendtrans-66.1-10.8-173-12.824.5000114.4A237P235-A237 PolarHBondContact O-N 2.82Å
236T44.4Very low71.3Confident108 Ų10893.8 Ų93.866%0.66349%0.488SS*.SBendtrans-100.380.3-175.439.70000111.5Q234 Q238Q234-T236 PolarHBondContact O-N 2.91Å; T236-Q238 VanDerWaalsContact C-N 3.25Å; T236-Q238 PolarHBondContact O-N 2.81Å
237A43.6Very low71.2Confident102 Ų10288.3 Ų88.384%0.84347%0.467SS*.  trans3825.8144.900000120.9P235P235-A237 PolarHBondContact O-N 2.82Å
238Q45.8Very low71.2Confident144 Ų14491 Ų9167%0.67348%0.479SS*.  trans-91.8103166.7-108.7-178.60.400108.5T236T236-Q238 VanDerWaalsContact C-N 3.25Å; T236-Q238 PolarHBondContact O-N 2.81Å
239R53.7Low71.1Confident237 Ų23791.4 Ų91.489%0.89448%0.481SS*.PPolyproline II helixtrans-50.5145.2173-68.4179.5177.6179-1.6110Q241R239-Q241 PolarHBondContact O-N 2.89Å; R239-Q241 VanDerWaalsContact O-N 3.12Å
240D60.3Low71.1Confident82 Ų8293.4 Ų93.444%0.43949%0.493SS..PPolyproline II helixtrans-46.8123.1169.2-69.9-31000109.1L228 S242L228-D240 HydrophobicContact CD1-CB 3.66Å; D240-S242 PolarHBondContact O-N 2.7Å
241Q71.1Confident71.1Confident96 Ų9696.9 Ų96.945%0.44952%0.516SS..EExtended strand (participates in β ladder)trans-72.5120.7178.5-170.5171.26.900106.8W229 R239W229-Q241 HydrophobicContact CE3-CB 4.35Å; W229-Q241 HydrophobicContact CE3-CG 4.49Å; W229-Q241 PolarHBondContact N-O 3.21Å; R239-Q241 PolarHBondContact O-N 2.89Å; R239-Q241 VanDerWaalsContact O-N 3.12Å
242S85.6Confident72.1Confident83 Ų8398 Ų9858%0.5853%0.525SS*.EExtended strand (participates in β ladder)trans-116.5133.517161.90000109.7I227 D240I227-S242 CarbonylContact O-C 3.59Å; I227-S242 VanDerWaalsContact O-CA 3.25Å; I227-S242 WeakPolarHBondContact O-CA 3.49Å; D240-S242 PolarHBondContact O-N 2.7Å
243L91.8Very high73.8Confident55 Ų5595.2 Ų95.229%0.28851%0.507SS..EExtended strand (participates in β ladder)trans-125.1142.3174.4-64.1176.4000108.7R226 I227 W229 Y245R226-L243 CarbonylContact C-O 3.59Å; R226-L243 WeakPolarHBondContact CA-O 3.45Å; I227-L243 PolarHBondContact N-O 3.37Å; I227-L243 PolarHBondContact O-N 3.33Å; W229-L243 HydrophobicContact CH2-CD1 3.83Å; W229-L243 HydrophobicContact CH2-CG 4.43Å; W229-L243 HydrophobicContact CZ3-CB 4.22Å; W229-L243 HydrophobicContact CZ3-CD1 3.81Å; W229-L243 HydrophobicContact CZ3-CG 3.96Å; L243-Y245 HydrophobicContact CB-CD2 4.4Å; L243-Y245 HydrophobicContact CB-CE2 3.67Å; L243-Y245 HydrophobicContact CD1-CE2 4.24Å
244T93.6Very high76Confident56 Ų5689.5 Ų89.534%0.34447%0.468SS..EExtended strand (participates in β ladder)trans-124.8125.2177.8-54.90000109.2Q224 L225 R226Q224-T244 HydrophobicContact CB-CG2 4.4Å; L225-T244 WeakPolarHBondContact O-CA 3.44Å; R226-T244 HydrophobicContact CG-CG2 3.97Å
245Y93.9Very high78.4Confident51 Ų5183.4 Ų83.420%0.244%0.442CS..EExtended strand (participates in β ladder)trans-122150.3175.5-63.8-84.4000109.2L8 Q224 L225 I227 L243 F257L8-Y245 HydrophobicContact CD1-CD2 3.82Å; L8-Y245 HydrophobicContact CD1-CE2 4.06Å; L8-Y245 HydrophobicContact CD1-CG 4.06Å; L8-Y245 HydrophobicContact CD2-CD1 4.36Å; L8-Y245 HydrophobicContact CD2-CD2 4.28Å; L8-Y245 HydrophobicContact CD2-CE1 3.84Å; L8-Y245 HydrophobicContact CD2-CE2 3.73Å; L8-Y245 VanDerWaalsContact CD2-CZ 3.49Å; L8-Y245 HydrophobicContact CG-CE2 4.4Å; Q224-Y245 CarbonylContact C-O 3.59Å; Q224-Y245 WeakPolarHBondContact CA-O 3.17Å; Q224-Y245 WeakPolarHBondContact CB-O 3.38Å; L225-Y245 PolarHBondContact N-O 3.27Å; L225-Y245 PolarHBondContact O-N 2.85Å; I227-Y245 HydrophobicContact CD1-CD2 4.16Å; I227-Y245 HydrophobicContact CD1-CE2 4.22Å; L243-Y245 HydrophobicContact CB-CD2 4.4Å; L243-Y245 HydrophobicContact CB-CE2 3.67Å; L243-Y245 HydrophobicContact CD1-CE2 4.24Å; Y245-F257 CarbonylContact C-O 3.57Å; Y245-F257 WeakPolarHBondContact CA-O 3.42Å
246Q94.1Very high80.6Confident26 Ų2678.2 Ų78.212%0.12141%0.406CS..EExtended strand (participates in β ladder)trans-89.6151.5163-73.2177.7-32.600108.9L213 V221 G223 Q224 F256 F257L213-Q246 HydrophobicContact CD2-CG 4.48Å; V221-Q246 HydrophobicContact CG1-CB 3.84Å; V221-Q246 HydrophobicContact CG1-CG 4.12Å; G223-Q246 WeakPolarHBondContact O-CA 3.35Å; Q224-Q246 HydrophobicContact CB-CG 4.39Å; Q246-F256 WeakPolarHBondContact O-CA 3.17Å; Q246-F257 HydrophobicContact CB-CD2 3.42Å; Q246-F257 VanDerWaalsContact CB-CD2 3.42Å; Q246-F257 HydrophobicContact CB-CE2 3.08Å; Q246-F257 HydrophobicContact CB-CG 4.33Å; Q246-F257 HydrophobicContact CB-CZ 3.75Å; Q246-F257 HydrophobicContact CG-CD2 4.5Å; Q246-F257 HydrophobicContact CG-CE2 4.16Å; Q246-F257 PolarHBondContact N-O 3.27Å; Q246-F257 PolarHBondContact O-N 2.6Å
247Y94.6Very high82.8Confident0 Ų074.3 Ų74.30%038%0.38CS..EExtended strand (participates in β ladder)trans-131.5151.6-178.467.4-100.4000113.2T29 F33 A210 H222 G223 Q224 L225 I249 S255T29-Y247 WeakPolarHBondContact CG2-OH 3.41Å; T29-Y247 PolarHBondContact OG1-OH 3.29Å; T29-Y247 VanDerWaalsContact OG1-OH 3.04Å; F33-Y247 HydrophobicContact CE1-CE1 4.42Å; F33-Y247 HydrophobicContact CE1-CE2 4.15Å; F33-Y247 HydrophobicContact CZ-CD1 4.48Å; F33-Y247 HydrophobicContact CZ-CE1 4.37Å; F33-Y247 HydrophobicContact CZ-CE2 4.45Å; A210-Y247 HydrophobicContact CB-CE1 4.4Å; H222-Y247 HydrophobicContact CB-CD2 4.19Å; H222-Y247 HydrophobicContact CB-CE2 3.84Å; H222-Y247 PolarHBondContact N-O 3.15Å; G223-Y247 VanDerWaalsContact C-CE1 3.43Å; G223-Y247 PolarHBondContact O-N 2.72Å; Q224-Y247 WeakPolarHBondContact O-CE1 3.43Å; L225-Y247 HydrophobicContact CB-CD1 4.05Å; Y247-I249 HydrophobicContact CD2-CD1 4.39Å; Y247-I249 HydrophobicContact CD2-CG1 3.92Å; Y247-I249 HydrophobicContact CE2-CD1 3.98Å; Y247-I249 HydrophobicContact CE2-CG1 4Å; Y247-S255 CarbonylContact C-O 3.36Å; Y247-S255 VanDerWaalsContact CA-O 3.23Å; Y247-S255 WeakPolarHBondContact CA-O 3.45Å
248K93.8Very high84.9Confident55 Ų5571.8 Ų71.824%0.23936%0.359CS..EExtended strand (participates in β ladder)trans-127.1121.9168.8-173.5177.9-170.71680108.8D220 V254 S255 F257D220-K248 WeakPolarHBondContact O-CD 3.41Å; D220-K248 IonicContact OD1-NZ 3.02Å; D220-K248 PolarHBondContact OD1-NZ 3.24Å; K248-V254 WeakPolarHBondContact O-CA 3.25Å; K248-S255 PolarHBondContact N-O 3.01Å; K248-S255 PolarHBondContact O-N 2.99Å; K248-F257 HydrophobicContact CB-CE1 4.06Å
249I92.3Very high86.6Confident60 Ų6072.8 Ų72.831%0.30836%0.361SS..EExtended strand (participates in β ladder)trans-84.8132.1176.8-55.6175.2000108.2F33 H222 Y247 V254F33-I249 HydrophobicContact CB-CD1 4.29Å; F33-I249 HydrophobicContact CD1-CD1 3.85Å; F33-I249 HydrophobicContact CE1-CD1 4.45Å; F33-I249 HydrophobicContact CG-CD1 4.14Å; H222-I249 PolarHBondContact CE1-O 2.86Å; H222-I249 PolarHBondContact ND1-N 2.99Å; H222-I249 VanDerWaalsContact ND1-N 3.12Å; Y247-I249 HydrophobicContact CD2-CD1 4.39Å; Y247-I249 HydrophobicContact CD2-CG1 3.92Å; Y247-I249 HydrophobicContact CE2-CD1 3.98Å; Y247-I249 HydrophobicContact CE2-CG1 4Å; I249-V254 HydrophobicContact CG1-CG1 4.43Å; I249-V254 HydrophobicContact CG1-CG2 4.24Å; I249-V254 HydrophobicContact CG2-CG2 4.34Å
250Q90.7Very high87.8Confident95 Ų9563.3 Ų63.344%0.44434%0.338SS..  trans-120.5173.8173-52.6178.220.500108.7K252 S253 S255Q250-K252 PolarHBondContact O-N 3.4Å; Q250-K252 VanDerWaalsContact O-N 3.12Å; Q250-S253 CarbonylContact C-O 3.54Å; Q250-S253 WeakPolarHBondContact CA-O 3.44Å; Q250-S253 WeakPolarHBondContact CB-O 3.25Å; Q250-S253 PolarHBondContact N-O 3.01Å; Q250-S253 PolarHBondContact OE1-OG 3.14Å; Q250-S255 PolarHBondContact NE2-OG 2.96Å
251D84.9Confident88.6Confident143 Ų14365 Ų6577%0.76535%0.345SS*.SBendtrans-56.5-34-174.8-76.7-12.3000114.9
252K88.5Confident88.6Confident152 Ų15260.7 Ų60.766%0.66133%0.325SS*.SBendtrans-130.4-2.1-175.3-60.8-174.4-173.1179.60114.1Q250Q250-K252 PolarHBondContact O-N 3.4Å; Q250-K252 VanDerWaalsContact O-N 3.12Å
253S90.7Very high87.5Confident42 Ų4260.6 Ų60.629%0.29432%0.322SS..  trans-144.8161.6-17456.10000110.7Q250Q250-S253 CarbonylContact C-O 3.54Å; Q250-S253 WeakPolarHBondContact CA-O 3.44Å; Q250-S253 WeakPolarHBondContact CB-O 3.25Å; Q250-S253 PolarHBondContact N-O 3.01Å; Q250-S253 PolarHBondContact OE1-OG 3.14Å
254V93.4Very high86Confident2 Ų260.6 Ų60.61%0.01233%0.33CS..EExtended strand (participates in β ladder)trans-127125.3167.9-178.80000106.1F2 F33 K248 I249 F256F2-V254 HydrophobicContact CD1-CB 4.39Å; F2-V254 HydrophobicContact CD1-CG2 3.97Å; F2-V254 HydrophobicContact CD2-CB 4.24Å; F2-V254 HydrophobicContact CD2-CG2 3.77Å; F2-V254 HydrophobicContact CE1-CG2 3.78Å; F2-V254 HydrophobicContact CE2-CG2 3.6Å; F2-V254 HydrophobicContact CG-CB 4.18Å; F2-V254 HydrophobicContact CG-CG2 3.97Å; F2-V254 HydrophobicContact CZ-CG2 3.61Å; F33-V254 HydrophobicContact CD2-CG1 4.48Å; F33-V254 HydrophobicContact CD2-CG2 3.91Å; F33-V254 HydrophobicContact CE2-CG1 4.25Å; F33-V254 HydrophobicContact CE2-CG2 4.46Å; K248-V254 WeakPolarHBondContact O-CA 3.25Å; I249-V254 HydrophobicContact CG1-CG1 4.43Å; I249-V254 HydrophobicContact CG1-CG2 4.24Å; I249-V254 HydrophobicContact CG2-CG2 4.34Å; V254-F256 HydrophobicContact CB-CE2 3.95Å; V254-F256 HydrophobicContact CB-CZ 4.15Å; V254-F256 HydrophobicContact CG1-CD2 4.35Å; V254-F256 HydrophobicContact CG1-CE1 4.1Å; V254-F256 HydrophobicContact CG1-CE2 3.67Å; V254-F256 HydrophobicContact CG1-CZ 3.53Å
255S93.5Very high84.4Confident29 Ų2962.9 Ų62.920%0.20334%0.344CS..EExtended strand (participates in β ladder)trans-97.6136.9176.9-63.50000110.2E4 Y247 K248 Q250E4-S255 PolarHBondContact OE1-OG 3.24Å; E4-S255 VanDerWaalsContact OE2-CA 3.27Å; E4-S255 WeakPolarHBondContact OE2-CA 3.36Å; Y247-S255 CarbonylContact C-O 3.36Å; Y247-S255 VanDerWaalsContact CA-O 3.23Å; Y247-S255 WeakPolarHBondContact CA-O 3.45Å; K248-S255 PolarHBondContact N-O 3.01Å; K248-S255 PolarHBondContact O-N 2.99Å; Q250-S255 PolarHBondContact NE2-OG 2.96Å
256F93.2Very high82.4Confident25 Ų2568.6 Ų68.611%0.1138%0.377CS..EExtended strand (participates in β ladder)trans-117.7137.2179.8-61.3-91.2000110.8E4 L5 L8 F33 L225 Q246 V254E4-F256 HydrophobicContact CB-CD2 3.74Å; E4-F256 HydrophobicContact CB-CE2 4.26Å; E4-F256 PolarHBondContact OE2-N 3.09Å; L5-F256 HydrophobicContact CB-CE2 3.79Å; L5-F256 HydrophobicContact CB-CZ 3.99Å; L5-F256 HydrophobicContact CD1-CE1 4.47Å; L5-F256 HydrophobicContact CD1-CZ 4.04Å; L5-F256 HydrophobicContact CD2-CZ 4.49Å; L5-F256 HydrophobicContact CG-CZ 4.4Å; L8-F256 HydrophobicContact CD1-CB 3.69Å; L8-F256 HydrophobicContact CD1-CD1 3.84Å; L8-F256 HydrophobicContact CD1-CD2 4.05Å; L8-F256 HydrophobicContact CD1-CE1 4.5Å; L8-F256 HydrophobicContact CD1-CG 3.58Å; F33-F256 HydrophobicContact CE2-CZ 4.27Å; L225-F256 HydrophobicContact CB-CE1 4.24Å; L225-F256 HydrophobicContact CD2-CD1 4.25Å; L225-F256 HydrophobicContact CD2-CE1 3.53Å; L225-F256 HydrophobicContact CD2-CZ 4.23Å; Q246-F256 WeakPolarHBondContact O-CA 3.17Å; V254-F256 HydrophobicContact CB-CE2 3.95Å; V254-F256 HydrophobicContact CB-CZ 4.15Å; V254-F256 HydrophobicContact CG1-CD2 4.35Å; V254-F256 HydrophobicContact CG1-CE1 4.1Å; V254-F256 HydrophobicContact CG1-CE2 3.67Å; V254-F256 HydrophobicContact CG1-CZ 3.53Å
257F90.7Very high81.8Confident25 Ų2570.7 Ų70.711%0.1139%0.389CS..EExtended strand (participates in β ladder)trans-138.5148-17938.3-82.5000110.6V221 Y245 Q246 K248V221-F257 HydrophobicContact CB-CE2 4.36Å; V221-F257 HydrophobicContact CB-CZ 4.14Å; V221-F257 HydrophobicContact CG1-CE2 3.88Å; V221-F257 HydrophobicContact CG1-CZ 3.8Å; V221-F257 HydrophobicContact CG2-CE2 3.66Å; V221-F257 HydrophobicContact CG2-CZ 3.69Å; Y245-F257 CarbonylContact C-O 3.57Å; Y245-F257 WeakPolarHBondContact CA-O 3.42Å; Q246-F257 HydrophobicContact CB-CD2 3.42Å; Q246-F257 VanDerWaalsContact CB-CD2 3.42Å; Q246-F257 HydrophobicContact CB-CE2 3.08Å; Q246-F257 HydrophobicContact CB-CG 4.33Å; Q246-F257 HydrophobicContact CB-CZ 3.75Å; Q246-F257 HydrophobicContact CG-CD2 4.5Å; Q246-F257 HydrophobicContact CG-CE2 4.16Å; Q246-F257 PolarHBondContact N-O 3.27Å; Q246-F257 PolarHBondContact O-N 2.6Å; K248-F257 HydrophobicContact CB-CE1 4.06Å
258A87.3Confident81.1Confident50 Ų5074.4 Ų74.441%0.41341%0.41SS..EExtended strand (participates in β ladder)trans-62.2149.3171.500000109.8G260 M261A258-G260 PolarHBondContact O-N 3.12Å; A258-M261 HydrophobicContact CB-CG 4.22Å; A258-M261 WeakPolarHBondContact O-CB 3.2Å; A258-M261 PolarHBondContact O-N 3.18Å
259K82.1Confident80.4Confident164 Ų16475.5 Ų75.571%0.71342%0.419SS*.THydrogen-bonded Turntrans-56.2128.1177.4-173.1176.8179.7178.60110.1
260G77.3Confident79.7Confident39 Ų3976.4 Ų76.440%0.40243%0.426SS..THydrogen-bonded Turntrans89.5-3.1-178.600000115.2A258A258-G260 PolarHBondContact O-N 3.12Å
261M77.1Confident79Confident118 Ų11875.3 Ų75.358%0.58143%0.425SS*.  trans-106.122.2176.5-62-68.7-123.900112.3A258A258-M261 HydrophobicContact CB-CG 4.22Å; A258-M261 WeakPolarHBondContact O-CB 3.2Å; A258-M261 PolarHBondContact O-N 3.18Å
262S71.8Confident78.6Confident4 Ų470.7 Ų70.73%0.02840%0.402CS..SBendtrans-76150.5-179.277.20000110.9A264 V265 L266S262-A264 PolarHBondContact O-N 2.9Å; S262-A264 PolarHBondContact OG-N 2.72Å; S262-V265 PolarHBondContact O-N 3.04Å; S262-V265 WeakPolarHBondContact OG-CG2 3.46Å; S262-L266 PolarHBondContact O-N 3.46Å
263P62.5Low77.9Confident82 Ų8264.9 Ų64.953%0.53238%0.384SS..THydrogen-bonded Turntrans-61.2-9.5174-22.933.4000114.9
264A60.6Low76.9Confident54 Ų5466.7 Ų66.745%0.44639%0.391SS..THydrogen-bonded Turntrans-85.3-15.917400000113D220 S262D220-A264 HydrophobicContact CB-CB 3.97Å; S262-A264 PolarHBondContact O-N 2.9Å; S262-A264 PolarHBondContact OG-N 2.72Å
265V58.9Low75.6Confident105 Ų10572.1 Ų72.164%0.63642%0.422SS*.THydrogen-bonded Turntrans-106.8-22-178.1179.50000111.3S262S262-V265 PolarHBondContact O-N 3.04Å; S262-V265 WeakPolarHBondContact OG-CG2 3.46Å
266L52.1Low73.9Confident170 Ų17076 Ų7689%0.8944%0.442SS*.  trans-98.40176.9-65.1171000111.1S262S262-L266 PolarHBondContact O-N 3.46Å

Retrieved 266 of 266 residues in 91.5 ms (Link to these results)

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