A0A087XBA0_POEFO Loading...

glutathione-disulfide reductase

Catalyzes the reduction of glutathione disulfide (GSSG) to reduced glutathione (GSH). Constitutes the major mechanism to maintain a high GSH:GSSG ratio in the cytosol.

AlphaFold DB , UniProt , Accession A0A087XBA0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 412 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
1M97.3Very high97.3Very high41 Ų4148.3 Ų48.320%0.20224%0.244CC..  0-59.20-60.6-51.7-75.800110.8N3 A4 A5 W28 L31 F112 F113 I137 L141M1-N3 PolarHBondContact O-N 2.81Å; M1-A4 WeakPolarHBondContact O-CB 3.38Å; M1-A4 PolarHBondContact O-N 3.32Å; M1-A5 PolarHBondContact O-N 3.35Å; M1-W28 HydrophobicContact CE-CD2 4.3Å; M1-W28 HydrophobicContact CE-CE3 3.97Å; M1-W28 HydrophobicContact CE-CH2 3.24Å; M1-W28 HydrophobicContact CE-CZ2 3.57Å; M1-W28 HydrophobicContact CE-CZ3 3.44Å; M1-W28 VanDerWaalsContact CE-CZ3 3.44Å; M1-L31 HydrophobicContact CE-CD2 3.75Å; M1-L31 HydrophobicContact SD-CD2 3.58Å; M1-L31 VanDerWaalsContact SD-CD2 3.58Å; M1-L31 HydrophobicContact SD-CG 3.89Å; M1-F112 HydrophobicContact CE-CZ 4.32Å; M1-F112 HydrophobicContact CG-CE1 4.19Å; M1-F113 HydrophobicContact CG-CE1 4.46Å; M1-I137 HydrophobicContact CB-CD1 4.01Å; M1-I137 HydrophobicContact CB-CG2 4.08Å; M1-L141 HydrophobicContact CE-CD1 4.33Å
2W98.6Very high97Very high38 Ų3854.9 Ų54.914%0.14427%0.273CS..Hα-helixtrans-50.3-49.5178.4-175.276.2000114.8A4 A5 V6 I137 F306 S307 H308 P310W2-A4 PolarHBondContact O-N 2.94Å; W2-A4 VanDerWaalsContact O-N 3.13Å; W2-A5 CarbonylContact O-C 3.52Å; W2-A5 WeakPolarHBondContact O-CA 3.41Å; W2-A5 WeakPolarHBondContact O-CB 3.43Å; W2-A5 PolarHBondContact O-N 2.93Å; W2-V6 HydrophobicContact CD2-CG2 3.71Å; W2-V6 HydrophobicContact CE3-CG2 4.12Å; W2-V6 HydrophobicContact CG-CG2 4.29Å; W2-V6 HydrophobicContact CH2-CG2 3.97Å; W2-V6 HydrophobicContact CZ2-CG2 3.54Å; W2-V6 HydrophobicContact CZ3-CG2 4.23Å; W2-V6 PolarHBondContact O-N 2.8Å; W2-I137 HydrophobicContact CB-CD1 4.31Å; W2-I137 HydrophobicContact CB-CG1 4.49Å; W2-F306 HydrophobicContact CB-CB 4.48Å; W2-F306 HydrophobicContact CD2-CB 4.01Å; W2-F306 AromaticContact CD2-CD1 3.92Å; W2-F306 HydrophobicContact CD2-CD1 3.92Å; W2-F306 HydrophobicContact CD2-CG 4.36Å; W2-F306 AromaticContact CE3-CD1 3.86Å; W2-F306 HydrophobicContact CE3-CD1 3.86Å; W2-F306 HydrophobicContact CG-CB 3.84Å; W2-F306 HydrophobicContact CH2-CD1 4.2Å; W2-F306 HydrophobicContact CZ2-CD1 4.24Å; W2-F306 HydrophobicContact CZ3-CD1 4.02Å; W2-F306 HydrophobicContact CZ3-CE1 4.43Å; W2-F306 PolarHBondContact NE1-O 2.91Å; W2-F306 VanDerWaalsContact NE1-O 3.1Å; W2-S307 PolarHBondContact NE1-O 3.28Å; W2-H308 AromaticContact CD1-CE1 3.42Å; W2-H308 VanDerWaalsContact CD1-CE1 3.42Å; W2-H308 AromaticContact CD1-NE2 3.36Å; W2-H308 AromaticContact NE1-CE1 3.42Å; W2-H308 PolarHBondContact NE1-CE1 3.04Å; W2-H308 AromaticContact NE1-ND1 3.89Å; W2-H308 AromaticContact NE1-NE2 3.6Å; W2-P310 HydrophobicContact CH2-CG 4.37Å; W2-P310 HydrophobicContact CZ2-CB 4.04Å; W2-P310 HydrophobicContact CZ2-CG 4.07Å
3N98.7Very high96.9Very high120 Ų12050.8 Ų50.864%0.64225%0.253SS*.Hα-helixtrans-55.7-33.7176.1-68.8-0.4000114.1M1 H7M1-N3 PolarHBondContact O-N 2.81Å; N3-H7 VanDerWaalsContact O-CB 3.26Å; N3-H7 WeakPolarHBondContact O-CB 3.33Å; N3-H7 PolarHBondContact O-N 3.21Å
4A98.4Very high96.8Very high22 Ų2250.2 Ų50.218%0.18225%0.249CC..Hα-helixtrans-72.9-36.7176.800000111.4M1 W2 H7 A8 L31 L141M1-A4 WeakPolarHBondContact O-CB 3.38Å; M1-A4 PolarHBondContact O-N 3.32Å; W2-A4 PolarHBondContact O-N 2.94Å; W2-A4 VanDerWaalsContact O-N 3.13Å; A4-H7 PolarHBondContact O-N 2.8Å; A4-A8 PolarHBondContact O-N 3.32Å; A4-L31 HydrophobicContact CB-CD1 3.95Å; A4-L31 HydrophobicContact CB-CD2 3.54Å; A4-L31 HydrophobicContact CB-CG 4.41Å; A4-L141 HydrophobicContact CB-CD2 4.5Å
5A98.2Very high96.8Very high0 Ų051.4 Ų51.40%026%0.264CS..Hα-helixtrans-64.6-50.6172.400000110.9M1 W2 H7 A8 E9 I137 T140 L141M1-A5 PolarHBondContact O-N 3.35Å; W2-A5 CarbonylContact O-C 3.52Å; W2-A5 WeakPolarHBondContact O-CA 3.41Å; W2-A5 WeakPolarHBondContact O-CB 3.43Å; W2-A5 PolarHBondContact O-N 2.93Å; A5-H7 VanDerWaalsContact C-N 3.26Å; A5-H7 PolarHBondContact O-N 3.41Å; A5-A8 WeakPolarHBondContact O-CA 3.28Å; A5-A8 WeakPolarHBondContact O-CB 3.5Å; A5-A8 PolarHBondContact O-N 2.83Å; A5-E9 PolarHBondContact O-N 2.86Å; A5-I137 HydrophobicContact CB-CG1 4.37Å; A5-T140 HydrophobicContact CB-CG2 3.72Å; A5-T140 WeakPolarHBondContact O-CG2 3.35Å; A5-L141 HydrophobicContact CB-CD2 4.38Å; A5-L141 HydrophobicContact CB-CG 4.2Å
6V98.2Very high96.8Very high24 Ų2451.6 Ų51.615%0.14527%0.266CS..Hα-helixtrans-55.7-42.6174.8173.50000111.5W2 A8 E9 Y10W2-V6 HydrophobicContact CD2-CG2 3.71Å; W2-V6 HydrophobicContact CE3-CG2 4.12Å; W2-V6 HydrophobicContact CG-CG2 4.29Å; W2-V6 HydrophobicContact CH2-CG2 3.97Å; W2-V6 HydrophobicContact CZ2-CG2 3.54Å; W2-V6 HydrophobicContact CZ3-CG2 4.23Å; W2-V6 PolarHBondContact O-N 2.8Å; V6-A8 PolarHBondContact O-N 2.98Å; V6-E9 WeakPolarHBondContact O-CB 3.39Å; V6-E9 PolarHBondContact O-N 2.79Å; V6-Y10 HydrophobicContact CG1-CD2 3.98Å; V6-Y10 HydrophobicContact CG1-CE2 3.5Å; V6-Y10 WeakPolarHBondContact O-CD2 3.44Å; V6-Y10 PolarHBondContact O-N 3.3Å; V6-Y10 VanDerWaalsContact O-N 3.11Å
7H97.9Very high96.9Very high115 Ų11553.6 Ų53.653%0.53227%0.27SS..Hα-helixtrans-60.9-44.5174.9-178.965000112.1N3 A4 A5 E9 Y10 L11N3-H7 VanDerWaalsContact O-CB 3.26Å; N3-H7 WeakPolarHBondContact O-CB 3.33Å; N3-H7 PolarHBondContact O-N 3.21Å; A4-H7 PolarHBondContact O-N 2.8Å; A5-H7 VanDerWaalsContact C-N 3.26Å; A5-H7 PolarHBondContact O-N 3.41Å; H7-E9 VanDerWaalsContact C-N 3.31Å; H7-E9 PolarHBondContact O-N 2.75Å; H7-Y10 PolarHBondContact O-N 3.13Å; H7-L11 WeakPolarHBondContact O-CG 3.2Å; H7-L11 PolarHBondContact O-N 2.58Å
8A96.3Very high96.9Very high22 Ų2254.4 Ų54.418%0.18229%0.294CS..Hα-helixtrans-61.1-37.7175.800000112.3A4 A5 V6 L11 H12 T140 L141A4-A8 PolarHBondContact O-N 3.32Å; A5-A8 WeakPolarHBondContact O-CA 3.28Å; A5-A8 WeakPolarHBondContact O-CB 3.5Å; A5-A8 PolarHBondContact O-N 2.83Å; V6-A8 PolarHBondContact O-N 2.98Å; A8-L11 WeakPolarHBondContact O-CB 3.36Å; A8-L11 PolarHBondContact O-N 2.96Å; A8-H12 PolarHBondContact O-CD2 3.39Å; A8-H12 VanDerWaalsContact O-CD2 3.25Å; A8-H12 PolarHBondContact O-N 2.96Å; A8-T140 HydrophobicContact CB-CG2 4.28Å; A8-L141 HydrophobicContact CB-CD2 4.25Å
9E94.9Very high96.9Very high21 Ų2158.8 Ų58.810%0.09831%0.311CS..Hα-helixtrans-60.6-47.5173.6-66.9-174.985.600112.5A5 V6 H7 L11 H12 T140 H308 R347A5-E9 PolarHBondContact O-N 2.86Å; V6-E9 WeakPolarHBondContact O-CB 3.39Å; V6-E9 PolarHBondContact O-N 2.79Å; H7-E9 VanDerWaalsContact C-N 3.31Å; H7-E9 PolarHBondContact O-N 2.75Å; E9-L11 PolarHBondContact O-N 3.34Å; E9-H12 WeakPolarHBondContact O-CB 3.49Å; E9-H12 PolarHBondContact O-N 3.01Å; E9-T140 HydrophobicContact CG-CG2 3.4Å; E9-T140 VanDerWaalsContact CG-CG2 3.4Å; E9-H308 IonicContact OE2-CE1 3.6Å; E9-H308 IonicContact OE2-CG 3.15Å; E9-H308 IonicContact OE2-ND1 3.78Å; E9-H308 PolarHBondContact OE2-ND1 2.89Å; E9-R347 IonicContact OE1-CZ 2.87Å; E9-R347 IonicContact OE1-NH1 3.97Å; E9-R347 PolarHBondContact OE1-NH1 3.25Å
10Y95.7Very high96.7Very high85 Ų8561.1 Ų61.133%0.33334%0.338SS..Hα-helixtrans-66-28.9179.1-67.4-38.7000112.9V6 H7 H12 D13 Y341 L372V6-Y10 HydrophobicContact CG1-CD2 3.98Å; V6-Y10 HydrophobicContact CG1-CE2 3.5Å; V6-Y10 WeakPolarHBondContact O-CD2 3.44Å; V6-Y10 PolarHBondContact O-N 3.3Å; V6-Y10 VanDerWaalsContact O-N 3.11Å; H7-Y10 PolarHBondContact O-N 3.13Å; Y10-H12 PolarHBondContact O-N 3.48Å; Y10-D13 PolarHBondContact O-N 3Å; Y10-Y341 HydrophobicContact CD1-CE1 4.02Å; Y10-Y341 HydrophobicContact CD1-CE2 4.27Å; Y10-Y341 AromaticContact CD1-CZ 3.57Å; Y10-Y341 WeakPolarHBondContact CD1-OH 3.5Å; Y10-Y341 AromaticContact CE1-CE1 3.89Å; Y10-Y341 HydrophobicContact CE1-CE1 3.89Å; Y10-Y341 HydrophobicContact CE1-CE2 4.21Å; Y10-Y341 AromaticContact CE1-CZ 3.72Å; Y10-L372 HydrophobicContact CE1-CD1 4.3Å; Y10-L372 WeakPolarHBondContact OH-CD1 3.4Å
11L95.6Very high96.4Very high43 Ų4361.5 Ų61.523%0.22534%0.339CS..Hα-helixtrans-64.5-22.3172.1-69.7176.2000112.4H7 A8 E9 D13 H14 I21 V24H7-L11 WeakPolarHBondContact O-CG 3.2Å; H7-L11 PolarHBondContact O-N 2.58Å; A8-L11 WeakPolarHBondContact O-CB 3.36Å; A8-L11 PolarHBondContact O-N 2.96Å; E9-L11 PolarHBondContact O-N 3.34Å; L11-D13 VanDerWaalsContact C-N 3.27Å; L11-D13 PolarHBondContact O-N 2.99Å; L11-H14 PolarHBondContact O-ND1 2.84Å; L11-I21 HydrophobicContact CD2-CD1 4.18Å; L11-V24 HydrophobicContact CD1-CG1 3.77Å; L11-V24 HydrophobicContact CD1-CG2 4.4Å
12H93.9Very high95.9Very high128 Ų12869.3 Ų69.359%0.59338%0.375SS*.Hα-helixtrans-71.2-25172-70.1-66.6000113A8 E9 Y10A8-H12 PolarHBondContact O-CD2 3.39Å; A8-H12 VanDerWaalsContact O-CD2 3.25Å; A8-H12 PolarHBondContact O-N 2.96Å; E9-H12 WeakPolarHBondContact O-CB 3.49Å; E9-H12 PolarHBondContact O-N 3.01Å; Y10-H12 PolarHBondContact O-N 3.48Å
13D96.1Very high95.3Very high2 Ų275 Ų751%0.01140%0.401CS..THydrogen-bonded Turntrans-90-2.9-176.4-54.1-33.5000112.1Y10 L11 S15 D16 Y17 Y341 T345 R347Y10-D13 PolarHBondContact O-N 3Å; L11-D13 VanDerWaalsContact C-N 3.27Å; L11-D13 PolarHBondContact O-N 2.99Å; D13-S15 VanDerWaalsContact C-N 3.33Å; D13-S15 PolarHBondContact O-N 3.21Å; D13-D16 PolarHBondContact O-N 3.13Å; D13-Y17 HydrophobicContact CB-CD2 4.43Å; D13-Y17 PolarHBondContact O-N 3.49Å; D13-Y341 VanDerWaalsContact CB-OH 3.29Å; D13-Y341 WeakPolarHBondContact CB-OH 3.43Å; D13-Y341 VanDerWaalsContact OD2-CE1 3.3Å; D13-Y341 WeakPolarHBondContact OD2-CE1 3.47Å; D13-Y341 PolarHBondContact OD2-OH 2.91Å; D13-T345 HydrophobicContact CB-CG2 3.93Å; D13-R347 IonicContact OD1-CZ 2.79Å; D13-R347 IonicContact OD1-NE 2.6Å; D13-R347 PolarHBondContact OD1-NE 3.38Å; D13-R347 VanDerWaalsContact OD1-NE 3.09Å; D13-R347 IonicContact OD1-NH2 3.62Å; D13-R347 IonicContact OD2-CZ 3.93Å; D13-R347 IonicContact OD2-NE 3.09Å; D13-R347 IonicContact OD2-NH2 3.89Å; D13-R347 PolarHBondContact OD2-NH2 2.93Å
14H96.1Very high94.8Very high42 Ų4273.2 Ų73.219%0.19439%0.394CS..THydrogen-bonded Turntrans-58.9-39-170.279.2-87.2000113.8L11 Y17 G18 F19 I21L11-H14 PolarHBondContact O-ND1 2.84Å; H14-Y17 CarbonylContact O-C 3.47Å; H14-Y17 PolarHBondContact O-N 3.08Å; H14-G18 PolarHBondContact O-N 3.38Å; H14-F19 HydrophobicContact CB-CB 4.35Å; H14-F19 PolarHBondContact CD2-O 3.01Å; H14-F19 WeakPolarHBondContact O-CB 3.25Å; H14-F19 PolarHBondContact O-N 2.83Å; H14-I21 HydrophobicContact CB-CD1 3.8Å; H14-I21 VanDerWaalsContact CD2-CG1 3.43Å; H14-I21 WeakPolarHBondContact CD2-CG1 3.5Å; H14-I21 WeakPolarHBondContact NE2-CB 3.43Å; H14-I21 PolarHBondContact NE2-N 2.97Å
15S95.7Very high94.5Very high68 Ų6877.8 Ų77.848%0.47642%0.415SS..THydrogen-bonded Turntrans-71.7-35.5-178.956.70000112.3D13 Y17 G18 F19D13-S15 VanDerWaalsContact C-N 3.33Å; D13-S15 PolarHBondContact O-N 3.21Å; S15-Y17 PolarHBondContact O-N 2.94Å; S15-G18 PolarHBondContact O-N 3.15Å; S15-F19 WeakPolarHBondContact CA-O 3.41Å
16D97.1Very high94.4Very high55 Ų5581.8 Ų81.829%0.29443%0.433SS..THydrogen-bonded Turntrans-67-27.2176.2-65.7-19.6000111.2D13 G18 T345 S346D13-D16 PolarHBondContact O-N 3.13Å; D16-G18 VanDerWaalsContact C-N 3.32Å; D16-T345 HydrophobicContact CB-CG2 4.36Å; D16-T345 WeakPolarHBondContact OD2-CA 3.49Å; D16-S346 WeakPolarHBondContact OD2-CB 3.3Å; D16-S346 PolarHBondContact OD2-N 3.04Å; D16-S346 PolarHBondContact OD2-OG 3.05Å
17Y97.9Very high94.4Very high85 Ų8583.1 Ų83.133%0.33344%0.443SS..THydrogen-bonded Turntrans-86.65.8170.8-85.1-83.2000114.2D13 H14 S15 Y341 I344 T345D13-Y17 HydrophobicContact CB-CD2 4.43Å; D13-Y17 PolarHBondContact O-N 3.49Å; H14-Y17 CarbonylContact O-C 3.47Å; H14-Y17 PolarHBondContact O-N 3.08Å; S15-Y17 PolarHBondContact O-N 2.94Å; Y17-Y341 HydrophobicContact CE2-CD2 4.26Å; Y17-Y341 AromaticContact CE2-CE2 3.72Å; Y17-Y341 HydrophobicContact CE2-CE2 3.72Å; Y17-Y341 AromaticContact CE2-CZ 3.99Å; Y17-Y341 AromaticContact CZ-CE2 3.96Å; Y17-Y341 WeakPolarHBondContact OH-CD2 3.45Å; Y17-Y341 PolarHBondContact OH-O 2.88Å; Y17-I344 HydrophobicContact CD1-CD1 3.76Å; Y17-I344 HydrophobicContact CE1-CD1 3.62Å; Y17-I344 HydrophobicContact CE1-CG1 4.19Å; Y17-I344 HydrophobicContact CE2-CG1 4.41Å; Y17-I344 HydrophobicContact CG-CD1 4.29Å; Y17-T345 HydrophobicContact CD2-CG2 3.98Å; Y17-T345 HydrophobicContact CE2-CG2 3.44Å; Y17-T345 VanDerWaalsContact CE2-CG2 3.44Å
18G96.9Very high94.4Very high69 Ų6978.1 Ų78.171%0.71142%0.419SS*.THydrogen-bonded Turntrans85.111.5172.900000115.7H14 S15 D16H14-G18 PolarHBondContact O-N 3.38Å; S15-G18 PolarHBondContact O-N 3.15Å; D16-G18 VanDerWaalsContact C-N 3.32Å
19F96.8Very high94.5Very high138 Ų13883.6 Ų83.661%0.60544%0.441SS*.  trans-89.3145.9173.7-60.1-84000110.7H14 S15H14-F19 HydrophobicContact CB-CB 4.35Å; H14-F19 PolarHBondContact CD2-O 3.01Å; H14-F19 WeakPolarHBondContact O-CB 3.25Å; H14-F19 PolarHBondContact O-N 2.83Å; S15-F19 WeakPolarHBondContact CA-O 3.41Å
20A93.8Very high94.7Very high103 Ų10386.1 Ų86.185%0.85146%0.458SS*.  trans-106.7117.7171.800000109.5
21I90.8Very high94.8Very high70 Ų7083.9 Ų83.936%0.35945%0.452SS..  trans-123.4118.2174.4-57.2175.8000108.6L11 H14 V24L11-I21 HydrophobicContact CD2-CD1 4.18Å; H14-I21 HydrophobicContact CB-CD1 3.8Å; H14-I21 VanDerWaalsContact CD2-CG1 3.43Å; H14-I21 WeakPolarHBondContact CD2-CG1 3.5Å; H14-I21 WeakPolarHBondContact NE2-CB 3.43Å; H14-I21 PolarHBondContact NE2-N 2.97Å; I21-V24 HydrophobicContact CG2-CG2 3.58Å
22E85.6Confident94.9Very high205 Ų20582.5 Ų82.596%0.95844%0.444SS*.SBendtrans-77.8-37.1-176.7-65.4-175.5168.400113.2
23K85.7Confident95.2Very high158 Ų15879.2 Ų79.269%0.68744%0.439SS*.  trans-153.4125.7-177-164.3176.3-172.7-176.70112.2N25K23-N25 WeakPolarHBondContact CE-ND2 3.39Å; K23-N25 WeakPolarHBondContact CE-OD1 3.33Å
24V89.1Confident95.3Very high82 Ų8286.2 Ų86.250%0.49747%0.469SS..  trans-113.5122.6168.4-179.50000108L11 I21L11-V24 HydrophobicContact CD1-CG1 3.77Å; L11-V24 HydrophobicContact CD1-CG2 4.4Å; I21-V24 HydrophobicContact CG2-CG2 3.58Å
25N92Very high95.4Very high118 Ų11886 Ų8663%0.63147%0.467SS*.  trans-116.1125.9172.2-57.5-61.8000109K23K23-N25 WeakPolarHBondContact CE-ND2 3.39Å; K23-N25 WeakPolarHBondContact CE-OD1 3.33Å
26F96.4Very high95.6Very high85 Ų8585.3 Ų85.337%0.37346%0.458SS..  trans-88.4130.8173.2172.9-111.3000110.4W28 L31 L118 L141F26-W28 HydrophobicContact CE1-CB 3.93Å; F26-W28 AromaticContact CE1-CE3 3.79Å; F26-W28 HydrophobicContact CE1-CE3 3.79Å; F26-W28 HydrophobicContact CZ-CB 4.16Å; F26-W28 AromaticContact CZ-CE3 3.85Å; F26-W28 HydrophobicContact CZ-CE3 3.85Å; F26-L31 HydrophobicContact CE2-CB 4.38Å; F26-L31 HydrophobicContact CE2-CD2 3.89Å; F26-L31 HydrophobicContact CZ-CD2 3.95Å; F26-L118 HydrophobicContact CD1-CD2 4.18Å; F26-L118 HydrophobicContact CE1-CB 4.42Å; F26-L118 HydrophobicContact CE1-CD2 4.18Å; F26-L141 HydrophobicContact CD1-CB 4.42Å; F26-L141 HydrophobicContact CD2-CD2 4.13Å; F26-L141 HydrophobicContact CE1-CB 4.05Å; F26-L141 HydrophobicContact CE1-CD1 4.29Å; F26-L141 HydrophobicContact CE1-CD2 4.31Å; F26-L141 HydrophobicContact CE1-CG 4.45Å; F26-L141 HydrophobicContact CE2-CD1 4.44Å; F26-L141 HydrophobicContact CE2-CD2 3.83Å; F26-L141 HydrophobicContact CZ-CB 4.37Å; F26-L141 HydrophobicContact CZ-CD1 3.84Å; F26-L141 HydrophobicContact CZ-CD2 3.93Å; F26-L141 HydrophobicContact CZ-CG 4.27Å
27S97.8Very high95.6Very high51 Ų5184.8 Ų84.836%0.35746%0.461SS..  trans-115.1105.1174172.70000109.5E29 T30 L31S27-E29 VanDerWaalsContact C-N 3.33Å; S27-T30 PolarHBondContact O-N 3.24Å; S27-T30 WeakPolarHBondContact OG-CB 3.4Å; S27-T30 PolarHBondContact OG-N 3.21Å; S27-T30 PolarHBondContact OG-OG1 2.85Å; S27-L31 PolarHBondContact O-N 3.45Å
28W98.4Very high95.7Very high10 Ų1086.8 Ų86.84%0.03847%0.469CS..Hα-helixtrans-60.6-43.3175.6-175.4-82.5000111.5M1 F26 T30 L31 K32 F112 L115 L118 L138 L141M1-W28 HydrophobicContact CE-CD2 4.3Å; M1-W28 HydrophobicContact CE-CE3 3.97Å; M1-W28 HydrophobicContact CE-CH2 3.24Å; M1-W28 HydrophobicContact CE-CZ2 3.57Å; M1-W28 HydrophobicContact CE-CZ3 3.44Å; M1-W28 VanDerWaalsContact CE-CZ3 3.44Å; F26-W28 HydrophobicContact CE1-CB 3.93Å; F26-W28 AromaticContact CE1-CE3 3.79Å; F26-W28 HydrophobicContact CE1-CE3 3.79Å; F26-W28 HydrophobicContact CZ-CB 4.16Å; F26-W28 AromaticContact CZ-CE3 3.85Å; F26-W28 HydrophobicContact CZ-CE3 3.85Å; W28-T30 PolarHBondContact O-N 2.95Å; W28-L31 PolarHBondContact O-N 2.96Å; W28-L31 VanDerWaalsContact O-N 3.14Å; W28-K32 WeakPolarHBondContact O-CB 3.24Å; W28-K32 PolarHBondContact O-N 3.06Å; W28-F112 AromaticContact CH2-CE2 3.82Å; W28-F112 HydrophobicContact CH2-CE2 3.82Å; W28-F112 AromaticContact CH2-CZ 3.79Å; W28-F112 HydrophobicContact CH2-CZ 3.79Å; W28-F112 HydrophobicContact CZ2-CE2 4.46Å; W28-F112 HydrophobicContact CZ2-CZ 4.42Å; W28-L115 HydrophobicContact CZ2-CB 4.04Å; W28-L115 HydrophobicContact CZ2-CD1 4.35Å; W28-L115 PolarHBondContact NE1-O 3.35Å; W28-L118 HydrophobicContact CB-CB 4.14Å; W28-L118 HydrophobicContact CD2-CB 4.2Å; W28-L118 HydrophobicContact CE3-CB 3.84Å; W28-L118 HydrophobicContact CE3-CD1 3.7Å; W28-L118 HydrophobicContact CE3-CG 4.35Å; W28-L118 HydrophobicContact CG-CB 4.36Å; W28-L118 HydrophobicContact CZ3-CD1 3.62Å; W28-L138 HydrophobicContact CH2-CD2 4.26Å; W28-L138 HydrophobicContact CZ3-CD2 4.37Å; W28-L141 HydrophobicContact CE3-CD1 4.31Å; W28-L141 HydrophobicContact CZ3-CD1 3.91Å
29E98.1Very high95.7Very high137 Ų13786.6 Ų86.664%0.6445%0.454SS*.Hα-helixtrans-55.3-47.4177.3-175.1-173.6175.800111.9S27 L31 K32 A33S27-E29 VanDerWaalsContact C-N 3.33Å; E29-L31 VanDerWaalsContact C-N 3.34Å; E29-L31 PolarHBondContact O-N 3.33Å; E29-K32 PolarHBondContact O-N 3.2Å; E29-A33 WeakPolarHBondContact O-CB 3.38Å; E29-A33 PolarHBondContact O-N 3.19Å
30T98.4Very high95.8Very high74 Ų7483.6 Ų83.645%0.45445%0.45SS..Hα-helixtrans-61.7-42.9178-61.60000111.5S27 W28 K34S27-T30 PolarHBondContact O-N 3.24Å; S27-T30 WeakPolarHBondContact OG-CB 3.4Å; S27-T30 PolarHBondContact OG-N 3.21Å; S27-T30 PolarHBondContact OG-OG1 2.85Å; W28-T30 PolarHBondContact O-N 2.95Å; T30-K34 WeakPolarHBondContact O-CG 3.33Å; T30-K34 PolarHBondContact O-N 3.42Å
31L98.4Very high96.1Very high38 Ų3885.4 Ų85.420%0.19944%0.435CS..Hα-helixtrans-65.2-45177.8177.160.8000111.3M1 A4 F26 S27 W28 E29 K34 R35M1-L31 HydrophobicContact CE-CD2 3.75Å; M1-L31 HydrophobicContact SD-CD2 3.58Å; M1-L31 VanDerWaalsContact SD-CD2 3.58Å; M1-L31 HydrophobicContact SD-CG 3.89Å; A4-L31 HydrophobicContact CB-CD1 3.95Å; A4-L31 HydrophobicContact CB-CD2 3.54Å; A4-L31 HydrophobicContact CB-CG 4.41Å; F26-L31 HydrophobicContact CE2-CB 4.38Å; F26-L31 HydrophobicContact CE2-CD2 3.89Å; F26-L31 HydrophobicContact CZ-CD2 3.95Å; S27-L31 PolarHBondContact O-N 3.45Å; W28-L31 PolarHBondContact O-N 2.96Å; W28-L31 VanDerWaalsContact O-N 3.14Å; E29-L31 VanDerWaalsContact C-N 3.34Å; E29-L31 PolarHBondContact O-N 3.33Å; L31-K34 PolarHBondContact O-N 2.94Å; L31-R35 WeakPolarHBondContact O-CB 3.41Å; L31-R35 PolarHBondContact O-N 2.72Å
32K98.4Very high96.4Very high14 Ų1484.4 Ų84.46%0.06143%0.43CS..Hα-helixtrans-59.7-51.1178.6-170.9-169-174.3-85.50111.2W28 E29 K34 R35 D36 L115 E116W28-K32 WeakPolarHBondContact O-CB 3.24Å; W28-K32 PolarHBondContact O-N 3.06Å; E29-K32 PolarHBondContact O-N 3.2Å; K32-K34 VanDerWaalsContact C-N 3.3Å; K32-K34 PolarHBondContact O-N 3.39Å; K32-R35 VanDerWaalsContact CG-NH2 3.33Å; K32-R35 WeakPolarHBondContact O-CB 3.41Å; K32-R35 PolarHBondContact O-N 3.43Å; K32-R35 VanDerWaalsContact O-N 3.08Å; K32-D36 IonicContact NZ-OD2 3.13Å; K32-D36 PolarHBondContact NZ-OD2 2.94Å; K32-D36 PolarHBondContact O-N 3.12Å; K32-L115 VanDerWaalsContact CD-O 3.29Å; K32-L115 WeakPolarHBondContact CD-O 3.49Å; K32-L115 WeakPolarHBondContact CE-O 3.38Å; K32-E116 WeakPolarHBondContact CD-OE2 3.26Å; K32-E116 WeakPolarHBondContact CE-OE1 3.38Å; K32-E116 VanDerWaalsContact CE-OE2 3.28Å; K32-E116 WeakPolarHBondContact CE-OE2 3.48Å; K32-E116 VanDerWaalsContact NZ-CD 3.35Å; K32-E116 IonicContact NZ-OE1 2.9Å; K32-E116 PolarHBondContact NZ-OE1 3.01Å; K32-E116 IonicContact NZ-OE2 3.88Å; K32-E116 PolarHBondContact NZ-OE2 2.92Å
33A98.6Very high97Very high59 Ų5978.3 Ų78.349%0.48840%0.404SS..Hα-helixtrans-57.3-42.7179.300000112.1E29 D36 A37E29-A33 WeakPolarHBondContact O-CB 3.38Å; E29-A33 PolarHBondContact O-N 3.19Å; A33-D36 PolarHBondContact O-N 3.26Å; A33-A37 WeakPolarHBondContact O-CB 3.35Å; A33-A37 PolarHBondContact O-N 3.36Å
34K98.7Very high97.6Very high149 Ų14975.1 Ų75.165%0.64839%0.391SS*.Hα-helixtrans-67.1-39.8176.4-73.4-178.9179.8179.90112.6T30 L31 K32 Y38T30-K34 WeakPolarHBondContact O-CG 3.33Å; T30-K34 PolarHBondContact O-N 3.42Å; L31-K34 PolarHBondContact O-N 2.94Å; K32-K34 VanDerWaalsContact C-N 3.3Å; K32-K34 PolarHBondContact O-N 3.39Å; K34-Y38 PolarHBondContact O-N 2.92Å
35R98.7Very high98.1Very high39 Ų3975.2 Ų75.215%0.14739%0.388CS..Hα-helixtrans-61-49.4174.6178.1-155.467.3-169.56.7110.5L31 K32 A37 Y38 V39 F113L31-R35 WeakPolarHBondContact O-CB 3.41Å; L31-R35 PolarHBondContact O-N 2.72Å; K32-R35 VanDerWaalsContact CG-NH2 3.33Å; K32-R35 WeakPolarHBondContact O-CB 3.41Å; K32-R35 PolarHBondContact O-N 3.43Å; K32-R35 VanDerWaalsContact O-N 3.08Å; R35-A37 PolarHBondContact O-N 3.37Å; R35-Y38 WeakPolarHBondContact O-CB 3.38Å; R35-Y38 PolarHBondContact O-N 3.12Å; R35-Y38 VanDerWaalsContact O-N 3.08Å; R35-V39 WeakPolarHBondContact O-CG2 3.44Å; R35-V39 PolarHBondContact O-N 3.37Å; R35-F113 PolarHBondContact NH1-O 2.82Å; R35-F113 PolarHBondContact NH2-O 3.1Å
36D98.8Very high98.4Very high53 Ų5377 Ų7728%0.28339%0.387SS..Hα-helixtrans-66-39.3-176.8-66.8-8.7000111.7K32 A33 Y38 V39 S40K32-D36 IonicContact NZ-OD2 3.13Å; K32-D36 PolarHBondContact NZ-OD2 2.94Å; K32-D36 PolarHBondContact O-N 3.12Å; A33-D36 PolarHBondContact O-N 3.26Å; D36-Y38 VanDerWaalsContact C-N 3.31Å; D36-Y38 PolarHBondContact O-N 2.89Å; D36-V39 PolarHBondContact O-N 2.88Å; D36-S40 WeakPolarHBondContact O-CB 3.4Å; D36-S40 PolarHBondContact O-N 3.35Å; D36-S40 PolarHBondContact O-OG 3.47Å
37A98.8Very high98.5Very high43 Ų4378.9 Ų78.936%0.35539%0.392SS..Hα-helixtrans-62.4-38.4172.300000112A33 R35 R41A33-A37 WeakPolarHBondContact O-CB 3.35Å; A33-A37 PolarHBondContact O-N 3.36Å; R35-A37 PolarHBondContact O-N 3.37Å; A37-R41 WeakPolarHBondContact O-CG 3.21Å; A37-R41 PolarHBondContact O-N 3.05Å; A37-R41 VanDerWaalsContact O-N 3.12Å; A37-R41 PolarHBondContact O-NH1 3.23Å
38Y98.8Very high98.5Very high127 Ų12779.4 Ų79.450%0.49839%0.39SS..Hα-helixtrans-67.6-45.8176179.2-126.3000112.3K34 R35 D36 S40 R41 L42K34-Y38 PolarHBondContact O-N 2.92Å; R35-Y38 WeakPolarHBondContact O-CB 3.38Å; R35-Y38 PolarHBondContact O-N 3.12Å; R35-Y38 VanDerWaalsContact O-N 3.08Å; D36-Y38 VanDerWaalsContact C-N 3.31Å; D36-Y38 PolarHBondContact O-N 2.89Å; Y38-S40 VanDerWaalsContact C-N 3.31Å; Y38-S40 PolarHBondContact O-N 2.85Å; Y38-R41 WeakPolarHBondContact O-CB 3.18Å; Y38-R41 PolarHBondContact O-N 3.31Å; Y38-R41 VanDerWaalsContact O-N 3.16Å; Y38-L42 HydrophobicContact CD1-CD1 4.27Å; Y38-L42 HydrophobicContact CD2-CG 4.49Å; Y38-L42 HydrophobicContact CE1-CD1 3.8Å; Y38-L42 HydrophobicContact CE1-CG 4.47Å; Y38-L42 HydrophobicContact CE2-CD1 4.33Å; Y38-L42 HydrophobicContact CE2-CD2 4.16Å; Y38-L42 HydrophobicContact CE2-CG 4.12Å; Y38-L42 PolarHBondContact O-N 3.26Å
39V98.6Very high98.5Very high66 Ų6682.7 Ų82.740%0.441%0.409SS..Hα-helixtrans-58.6-44.4174.7174.10000110.6R35 D36 R41 L42 N43R35-V39 WeakPolarHBondContact O-CG2 3.44Å; R35-V39 PolarHBondContact O-N 3.37Å; D36-V39 PolarHBondContact O-N 2.88Å; V39-R41 VanDerWaalsContact C-N 3.3Å; V39-R41 PolarHBondContact O-N 2.94Å; V39-L42 WeakPolarHBondContact O-CA 3.32Å; V39-L42 WeakPolarHBondContact O-CB 3.47Å; V39-L42 PolarHBondContact O-N 2.65Å; V39-N43 PolarHBondContact O-N 3.41Å; V39-N43 PolarHBondContact O-OD1 3.13Å
40S98.6Very high98.5Very high75 Ų7579.2 Ų79.252%0.52439%0.394SS..Hα-helixtrans-58.4-40.3176.5-62.20000112.8D36 Y38 N43 Q44D36-S40 WeakPolarHBondContact O-CB 3.4Å; D36-S40 PolarHBondContact O-N 3.35Å; D36-S40 PolarHBondContact O-OG 3.47Å; Y38-S40 VanDerWaalsContact C-N 3.31Å; Y38-S40 PolarHBondContact O-N 2.85Å; S40-N43 PolarHBondContact O-N 3.48Å; S40-Q44 PolarHBondContact O-N 3.49Å
41R98.6Very high98.5Very high140 Ų14080.5 Ų80.553%0.52840%0.399SS..Hα-helixtrans-63.6-42.5173.4-71.3-171-58.2-91.97111.9A37 Y38 V39 N43 Q44 I45A37-R41 WeakPolarHBondContact O-CG 3.21Å; A37-R41 PolarHBondContact O-N 3.05Å; A37-R41 VanDerWaalsContact O-N 3.12Å; A37-R41 PolarHBondContact O-NH1 3.23Å; Y38-R41 WeakPolarHBondContact O-CB 3.18Å; Y38-R41 PolarHBondContact O-N 3.31Å; Y38-R41 VanDerWaalsContact O-N 3.16Å; V39-R41 VanDerWaalsContact C-N 3.3Å; V39-R41 PolarHBondContact O-N 2.94Å; R41-N43 VanDerWaalsContact C-N 3.35Å; R41-Q44 PolarHBondContact O-N 3.5Å; R41-I45 WeakPolarHBondContact O-CG1 3.31Å; R41-I45 PolarHBondContact O-N 3.16Å
42L98.6Very high98.5Very high50 Ų5086.7 Ų86.726%0.26242%0.424SS..Hα-helixtrans-61.7-42.8176-67.9176.4000111.4Y38 V39 Q44 I45 Y46Y38-L42 HydrophobicContact CD1-CD1 4.27Å; Y38-L42 HydrophobicContact CD2-CG 4.49Å; Y38-L42 HydrophobicContact CE1-CD1 3.8Å; Y38-L42 HydrophobicContact CE1-CG 4.47Å; Y38-L42 HydrophobicContact CE2-CD1 4.33Å; Y38-L42 HydrophobicContact CE2-CD2 4.16Å; Y38-L42 HydrophobicContact CE2-CG 4.12Å; Y38-L42 PolarHBondContact O-N 3.26Å; V39-L42 WeakPolarHBondContact O-CA 3.32Å; V39-L42 WeakPolarHBondContact O-CB 3.47Å; V39-L42 PolarHBondContact O-N 2.65Å; L42-Q44 VanDerWaalsContact C-N 3.26Å; L42-Q44 PolarHBondContact O-N 3.48Å; L42-I45 HydrophobicContact CD2-CD1 4.38Å; L42-I45 WeakPolarHBondContact O-CB 3.21Å; L42-I45 PolarHBondContact O-N 3.06Å; L42-Y46 HydrophobicContact CB-CD2 4.47Å; L42-Y46 HydrophobicContact CB-CE2 4.4Å; L42-Y46 WeakPolarHBondContact O-CD2 3.44Å; L42-Y46 PolarHBondContact O-N 3.15Å
43N98.5Very high98.5Very high77 Ų7788.9 Ų88.941%0.41245%0.445SS..Hα-helixtrans-56.5-42.7176.4-68.315.9000111.3V39 S40 R41 Y46 R47V39-N43 PolarHBondContact O-N 3.41Å; V39-N43 PolarHBondContact O-OD1 3.13Å; S40-N43 PolarHBondContact O-N 3.48Å; R41-N43 VanDerWaalsContact C-N 3.35Å; N43-Y46 PolarHBondContact O-N 3.26Å; N43-R47 WeakPolarHBondContact O-CG 3.4Å; N43-R47 PolarHBondContact O-N 3.44Å; N43-R47 VanDerWaalsContact O-N 3.12Å
44Q98.3Very high98.5Very high91 Ų9195.5 Ų95.543%0.42546%0.462SS..Hα-helixtrans-66.2-41175.7-170.859.939.600112.3S40 R41 L42 R47 N48S40-Q44 PolarHBondContact O-N 3.49Å; R41-Q44 PolarHBondContact O-N 3.5Å; L42-Q44 VanDerWaalsContact C-N 3.26Å; L42-Q44 PolarHBondContact O-N 3.48Å; Q44-R47 PolarHBondContact O-N 3.27Å; Q44-N48 PolarHBondContact NE2-OD1 2.89Å; Q44-N48 WeakPolarHBondContact O-CB 3.47Å; Q44-N48 PolarHBondContact O-N 3.38Å; Q44-N48 PolarHBondContact O-ND2 3.01Å; Q44-N48 PolarHBondContact O-OD1 3.49Å
45I98.6Very high98.5Very high83 Ų8392.7 Ų92.743%0.42645%0.454SS..Hα-helixtrans-60.6-45.7176.8-70.5164.2000110.7R41 L42 N48 N49R41-I45 WeakPolarHBondContact O-CG1 3.31Å; R41-I45 PolarHBondContact O-N 3.16Å; L42-I45 HydrophobicContact CD2-CD1 4.38Å; L42-I45 WeakPolarHBondContact O-CB 3.21Å; L42-I45 PolarHBondContact O-N 3.06Å; I45-N48 PolarHBondContact O-N 2.89Å; I45-N49 PolarHBondContact O-N 3.39Å; I45-N49 PolarHBondContact O-ND2 3.49Å; I45-N49 PolarHBondContact O-OD1 3.05Å
46Y98.3Very high98.4Very high156 Ų15696.8 Ų96.861%0.61247%0.474SS*.Hα-helixtrans-64.4-42.1179.2-78.3-69.9000112.6L42 N43 N49 L50L42-Y46 HydrophobicContact CB-CD2 4.47Å; L42-Y46 HydrophobicContact CB-CE2 4.4Å; L42-Y46 WeakPolarHBondContact O-CD2 3.44Å; L42-Y46 PolarHBondContact O-N 3.15Å; N43-Y46 PolarHBondContact O-N 3.26Å; Y46-N49 PolarHBondContact O-N 3.43Å; Y46-L50 PolarHBondContact O-N 3.49Å
47R97.7Very high98.4Very high125 Ų12598 Ų9847%0.47248%0.484SS..Hα-helixtrans-58.5-50.3172.7-70.7175.2-169.9154.8-0.6111.4N43 Q44 N49 L50 D51N43-R47 WeakPolarHBondContact O-CG 3.4Å; N43-R47 PolarHBondContact O-N 3.44Å; N43-R47 VanDerWaalsContact O-N 3.12Å; Q44-R47 PolarHBondContact O-N 3.27Å; R47-N49 PolarHBondContact O-N 3.19Å; R47-L50 WeakPolarHBondContact O-CB 3.36Å; R47-L50 PolarHBondContact O-N 3.3Å; R47-D51 PolarHBondContact O-N 2.94Å
48N98.3Very high98.3Very high61 Ų6199 Ų9933%0.32648%0.482SS..Hα-helixtrans-59.3-33.3178.6-69.9-9.8000112.7Q44 I45 K52Q44-N48 PolarHBondContact NE2-OD1 2.89Å; Q44-N48 WeakPolarHBondContact O-CB 3.47Å; Q44-N48 PolarHBondContact O-N 3.38Å; Q44-N48 PolarHBondContact O-ND2 3.01Å; Q44-N48 PolarHBondContact O-OD1 3.49Å; I45-N48 PolarHBondContact O-N 2.89Å; N48-K52 WeakPolarHBondContact O-CB 3.39Å; N48-K52 VanDerWaalsContact O-CG 3.24Å; N48-K52 WeakPolarHBondContact O-CG 3.5Å; N48-K52 PolarHBondContact O-N 3.04Å
49N98.5Very high98.2Very high79 Ų79100 Ų10042%0.42249%0.492SS..Hα-helixtrans-67.9-40.9176.7-70.9-18.1000111.7I45 Y46 R47 A53I45-N49 PolarHBondContact O-N 3.39Å; I45-N49 PolarHBondContact O-ND2 3.49Å; I45-N49 PolarHBondContact O-OD1 3.05Å; Y46-N49 PolarHBondContact O-N 3.43Å; R47-N49 PolarHBondContact O-N 3.19Å; N49-A53 WeakPolarHBondContact O-CB 3.18Å; N49-A53 PolarHBondContact O-N 3.4Å; N49-A53 VanDerWaalsContact O-N 3.08Å
50L98.4Very high98.2Very high65 Ų6599.3 Ų99.334%0.3450%0.498SS..Hα-helixtrans-64.5-44174.7-63.4177.7000111.1Y46 R47 K52 A53 K54 I55Y46-L50 PolarHBondContact O-N 3.49Å; R47-L50 WeakPolarHBondContact O-CB 3.36Å; R47-L50 PolarHBondContact O-N 3.3Å; L50-K52 PolarHBondContact O-N 3.05Å; L50-A53 CarbonylContact O-C 3.53Å; L50-A53 WeakPolarHBondContact O-CA 3.39Å; L50-A53 PolarHBondContact O-N 3.07Å; L50-A53 VanDerWaalsContact O-N 3.13Å; L50-K54 PolarHBondContact O-N 3.5Å; L50-I55 HydrophobicContact CB-CB 4.31Å; L50-I55 HydrophobicContact CD2-CB 4.22Å; L50-I55 HydrophobicContact CD2-CD1 3.93Å; L50-I55 HydrophobicContact CD2-CG2 4.18Å; L50-I55 PolarHBondContact O-N 3.43Å
51D97.9Very high98.1Very high101 Ų101101.3 Ų101.354%0.5450%0.495SS..Hα-helixtrans-60.8-46.4178-64.7-25.7000111.7R47 A53 K54R47-D51 PolarHBondContact O-N 2.94Å; D51-A53 PolarHBondContact O-N 2.93Å; D51-K54 WeakPolarHBondContact O-CA 3.36Å; D51-K54 PolarHBondContact O-N 3.4Å
52K98.6Very high98.1Very high167 Ų16796.5 Ų96.573%0.72649%0.485SS*.Hα-helixtrans-60.6-35.3175.4-76.2172.3-177.2177.60112.4N48 L50 K54N48-K52 WeakPolarHBondContact O-CB 3.39Å; N48-K52 VanDerWaalsContact O-CG 3.24Å; N48-K52 WeakPolarHBondContact O-CG 3.5Å; N48-K52 PolarHBondContact O-N 3.04Å; L50-K52 PolarHBondContact O-N 3.05Å; K52-K54 PolarHBondContact O-N 3.26Å
53A98.3Very high98Very high61 Ų61100 Ų10050%0.50450%0.495SS..THydrogen-bonded Turntrans-81-1.2175.700000113.3N49 L50 D51 I55N49-A53 WeakPolarHBondContact O-CB 3.18Å; N49-A53 PolarHBondContact O-N 3.4Å; N49-A53 VanDerWaalsContact O-N 3.08Å; L50-A53 CarbonylContact O-C 3.53Å; L50-A53 WeakPolarHBondContact O-CA 3.39Å; L50-A53 PolarHBondContact O-N 3.07Å; L50-A53 VanDerWaalsContact O-N 3.13Å; D51-A53 PolarHBondContact O-N 2.93Å; A53-I55 VanDerWaalsContact C-N 3.25Å; A53-I55 HydrophobicContact CB-CD1 3.77Å; A53-I55 HydrophobicContact CB-CG1 3.91Å; A53-I55 PolarHBondContact O-N 3.03Å
54K98.6Very high97.9Very high197 Ų19796.8 Ų96.886%0.85748%0.477SS*.THydrogen-bonded Turntrans56.737-176.3-54178.8-179.41790112.9L50 D51 K52L50-K54 PolarHBondContact O-N 3.5Å; D51-K54 WeakPolarHBondContact O-CA 3.36Å; D51-K54 PolarHBondContact O-N 3.4Å; K52-K54 PolarHBondContact O-N 3.26Å
55I98.5Very high97.8Very high91 Ų9193 Ų9347%0.46746%0.46SS..PPolyproline II helixtrans-92.1117.8177-62.4171.4000108.7L50 A53 T57L50-I55 HydrophobicContact CB-CB 4.31Å; L50-I55 HydrophobicContact CD2-CB 4.22Å; L50-I55 HydrophobicContact CD2-CD1 3.93Å; L50-I55 HydrophobicContact CD2-CG2 4.18Å; L50-I55 PolarHBondContact O-N 3.43Å; A53-I55 VanDerWaalsContact C-N 3.25Å; A53-I55 HydrophobicContact CB-CD1 3.77Å; A53-I55 HydrophobicContact CB-CG1 3.91Å; A53-I55 PolarHBondContact O-N 3.03Å; I55-T57 PolarHBondContact O-N 3.45Å
56E97.9Very high97.5Very high125 Ų12595 Ų9558%0.58447%0.471SS*.PPolyproline II helixtrans-62.1127.8175.6-174.4-178.4172.600110.1I58 R77E56-I58 HydrophobicContact CG-CG1 4.02Å; E56-R77 IonicContact OE1-CZ 3.2Å; E56-R77 IonicContact OE1-NH1 2.92Å; E56-R77 PolarHBondContact OE1-NH1 2.89Å; E56-R77 IonicContact OE1-NH2 3.99Å; E56-R77 PolarHBondContact OE1-NH2 2.75Å; E56-R77 IonicContact OE2-NH2 2.83Å
57T97.2Very high97.1Very high78 Ų7890 Ų9048%0.47946%0.456SS..PPolyproline II helixtrans-101.5120.4172.4-59.90000109.4I55 Q59I55-T57 PolarHBondContact O-N 3.45Å; T57-Q59 HydrophobicContact CG2-CG 4.49Å
58I97.7Very high96.7Very high64 Ų6489.6 Ų89.633%0.32847%0.469SS..  trans-109.5111177.6-54.1178.2000107.8E56 V74 L79E56-I58 HydrophobicContact CG-CG1 4.02Å; I58-V74 HydrophobicContact CG2-CB 4.08Å; I58-V74 HydrophobicContact CG2-CG1 3.83Å; I58-V74 HydrophobicContact CG2-CG2 4.46Å; I58-L79 HydrophobicContact CD1-CD1 3.36Å; I58-L79 HydrophobicContact CD1-CD2 4.08Å; I58-L79 HydrophobicContact CD1-CG 4.37Å
59Q97.4Very high96.4Very high149 Ų14993.1 Ų93.170%0.69648%0.484SS*.  trans-84.3118179.1-67.7-169.25.500110.8T57 N75T57-Q59 HydrophobicContact CG2-CG 4.49Å; Q59-N75 PolarHBondContact O-ND2 3.28Å
60G96.8Very high96.2Very high51 Ų5190 Ų9053%0.52647%0.468SS..SBendtrans161.5-179.9175.700000111.2
61Y97.5Very high96.1Very high117 Ų11787.5 Ų87.546%0.45946%0.455SS..  trans-92.8121.6174.5-173.7-87000109.3S230 G231 L232Y61-S230 PolarHBondContact OH-O 3.28Å; Y61-G231 WeakPolarHBondContact OH-CA 3.04Å; Y61-G231 PolarHBondContact OH-O 2.98Å; Y61-L232 HydrophobicContact CE1-CD2 4.42Å; Y61-L232 PolarHBondContact OH-N 2.93Å
62A97.7Very high96.1Very high39 Ų3984 Ų8432%0.32244%0.437SS..EExtended strand (participates in β ladder)trans-90.4136.1178.300000111E73 V74 L232A62-E73 WeakPolarHBondContact CA-O 3.25Å; A62-V74 HydrophobicContact CB-CG2 3.7Å; A62-L232 WeakPolarHBondContact O-CD2 3.48Å
63R97.2Very high96.1Very high123 Ų12378.1 Ų78.146%0.46441%0.412SS..EExtended strand (participates in β ladder)trans-131.3145.9170.164.2-178.9-175.4172.80.1109.9V72 E73R63-V72 CarbonylContact O-C 3.59Å; R63-V72 VanDerWaalsContact O-CA 3.25Å; R63-V72 WeakPolarHBondContact O-CA 3.37Å; R63-E73 HydrophobicContact CG-CB 4.34Å; R63-E73 IonicContact CZ-OE2 3.76Å; R63-E73 PolarHBondContact N-O 3.11Å; R63-E73 VanDerWaalsContact N-O 3.15Å; R63-E73 IonicContact NE-OE2 3.62Å; R63-E73 PolarHBondContact NE-OE2 3.24Å; R63-E73 IonicContact NH2-OE1 2.66Å; R63-E73 PolarHBondContact NH2-OE1 2.75Å; R63-E73 IonicContact NH2-OE2 3.91Å; R63-E73 PolarHBondContact NH2-OE2 2.86Å; R63-E73 PolarHBondContact O-N 2.82Å
64F97.6Very high96.1Very high9 Ų975.7 Ų75.74%0.03939%0.392CS..EExtended strand (participates in β ladder)trans-69.5142.6170.7-73.5-77.5000111.4T71 V72 I84 I86 L232 N233 I234 M237 L239 I260F64-T71 WeakPolarHBondContact CA-O 3.34Å; F64-T71 WeakPolarHBondContact CD1-O 3.26Å; F64-V72 HydrophobicContact CD1-CG1 3.63Å; F64-V72 HydrophobicContact CE1-CG1 3.69Å; F64-V72 HydrophobicContact CG-CG1 4.21Å; F64-V72 HydrophobicContact CZ-CG1 4.3Å; F64-I84 HydrophobicContact CE1-CD1 4.13Å; F64-I84 HydrophobicContact CE1-CG2 4.06Å; F64-I84 HydrophobicContact CZ-CG2 3.98Å; F64-I86 HydrophobicContact CE2-CD1 3.72Å; F64-I86 HydrophobicContact CE2-CG1 4.09Å; F64-I86 HydrophobicContact CZ-CD1 3.92Å; F64-I86 HydrophobicContact CZ-CG1 4.06Å; F64-L232 WeakPolarHBondContact CD2-O 3.36Å; F64-L232 PolarHBondContact N-O 2.91Å; F64-N233 HydrophobicContact CB-CB 4.42Å; F64-N233 WeakPolarHBondContact O-CB 3.26Å; F64-N233 PolarHBondContact O-ND2 2.92Å; F64-I234 HydrophobicContact CD2-CD1 4.06Å; F64-I234 HydrophobicContact CE2-CD1 3.96Å; F64-M237 HydrophobicContact CB-CE 4.43Å; F64-M237 HydrophobicContact CB-CG 3.31Å; F64-M237 HydrophobicContact CB-SD 3.81Å; F64-M237 HydrophobicContact CD1-CE 3.61Å; F64-M237 HydrophobicContact CD1-CG 4.03Å; F64-M237 HydrophobicContact CD1-SD 4.12Å; F64-M237 HydrophobicContact CD2-CG 4.1Å; F64-M237 HydrophobicContact CE1-CE 4.08Å; F64-M237 HydrophobicContact CG-CE 4.17Å; F64-M237 HydrophobicContact CG-CG 3.57Å; F64-M237 HydrophobicContact CG-SD 4.17Å; F64-L239 HydrophobicContact CE2-CD1 4.36Å; F64-I260 HydrophobicContact CE1-CD1 4.04Å; F64-I260 HydrophobicContact CZ-CD1 4.26Å; F64-I260 HydrophobicContact CZ-CG2 4.31Å
65T95.7Very high96Very high12 Ų1272.5 Ų72.57%0.07438%0.384CS..  trans-95.5166.7170.760.70000110.5D67 T71 E73 M237T65-D67 WeakPolarHBondContact CB-OD2 3.4Å; T65-D67 PolarHBondContact O-N 3.26Å; T65-D67 PolarHBondContact OG1-OD2 2.69Å; T65-T71 HydrophobicContact CG2-CG2 4.49Å; T65-T71 PolarHBondContact N-O 2.8Å; T65-T71 VanDerWaalsContact OG1-CB 3.28Å; T65-T71 WeakPolarHBondContact OG1-CB 3.38Å; T65-T71 WeakPolarHBondContact OG1-CG2 3.43Å; T65-T71 PolarHBondContact OG1-O 3.13Å; T65-E73 HydrophobicContact CG2-CB 3.79Å; T65-M237 VanDerWaalsContact O-SD 3.32Å
66D91.3Very high95.8Very high124 Ų12470.8 Ų70.866%0.66339%0.389SS*.SBendtrans-85.620178.3-51.2-39.7000112.9N233 S236D66-N233 PolarHBondContact OD1-ND2 3.06Å; D66-S236 WeakPolarHBondContact OD1-CB 3.12Å
67D91.3Very high95.8Very high52 Ų5270.7 Ų70.728%0.27838%0.383SS..  trans-67.3148.3177.2-64.9-76.8000110.6T65 E69 K78T65-D67 WeakPolarHBondContact CB-OD2 3.4Å; T65-D67 PolarHBondContact O-N 3.26Å; T65-D67 PolarHBondContact OG1-OD2 2.69Å; D67-E69 VanDerWaalsContact C-N 3.34Å; D67-E69 PolarHBondContact O-N 3.3Å; D67-K78 IonicContact OD1-NZ 3.35Å; D67-K78 PolarHBondContact OD1-NZ 3.02Å; D67-K78 VanDerWaalsContact OD1-NZ 3.13Å; D67-K78 IonicContact OD2-NZ 3.89Å; D67-K78 PolarHBondContact OD2-NZ 3.06Å
68P87.8Confident95.9Very high117 Ų11772.6 Ų72.676%0.7638%0.384SS*.SBendtrans-59.1-43.6-179.5-25.434.1000113.2R257P68-R257 PolarHBondContact O-NH2 2.79Å
69E92.4Very high95.9Very high134 Ų13471.5 Ų71.563%0.62638%0.379SS*.SBendtrans-80.7137.1173.1-67.3-59.714600110.1D67 T71D67-E69 VanDerWaalsContact C-N 3.34Å; D67-E69 PolarHBondContact O-N 3.3Å; E69-T71 WeakPolarHBondContact O-CB 3.45Å; E69-T71 PolarHBondContact O-N 2.78Å; E69-T71 PolarHBondContact O-OG1 3.15Å
70P94.1Very high95.9Very high14 Ų1468.9 Ų68.99%0.09137%0.373CS..  trans-50.2113.8176.7-27.835.8000112.1T80 I84 M237 I260P70-T80 PolarHBondContact O-OG1 3.12Å; P70-I84 HydrophobicContact CB-CD1 3.63Å; P70-M237 HydrophobicContact CB-CE 4.37Å; P70-I260 HydrophobicContact CB-CD1 4.1Å; P70-I260 HydrophobicContact CB-CG1 4.18Å; P70-I260 HydrophobicContact CG-CD1 4.29Å; P70-I260 HydrophobicContact CG-CG1 4.27Å
71T97Very high95.9Very high13 Ų1368.4 Ų68.48%0.0836%0.364CS..EExtended strand (participates in β ladder)trans-139.1138.6-173.3-60.50000109.3F64 T65 E69 K78 L79F64-T71 WeakPolarHBondContact CA-O 3.34Å; F64-T71 WeakPolarHBondContact CD1-O 3.26Å; T65-T71 HydrophobicContact CG2-CG2 4.49Å; T65-T71 PolarHBondContact N-O 2.8Å; T65-T71 VanDerWaalsContact OG1-CB 3.28Å; T65-T71 WeakPolarHBondContact OG1-CB 3.38Å; T65-T71 WeakPolarHBondContact OG1-CG2 3.43Å; T65-T71 PolarHBondContact OG1-O 3.13Å; E69-T71 WeakPolarHBondContact O-CB 3.45Å; E69-T71 PolarHBondContact O-N 2.78Å; E69-T71 PolarHBondContact O-OG1 3.15Å; T71-K78 HydrophobicContact CG2-CB 4.04Å; T71-K78 HydrophobicContact CG2-CD 4.3Å; T71-K78 HydrophobicContact CG2-CG 4.41Å; T71-L79 CarbonylContact C-O 3.58Å; T71-L79 WeakPolarHBondContact CA-O 3.44Å; T71-L79 WeakPolarHBondContact CG2-O 3.18Å
72V97.7Very high95.9Very high26 Ų2668 Ų6816%0.15838%0.376CS..EExtended strand (participates in β ladder)trans-116.9148.2173.6-60.50000110.3R63 F64 K78 L79R63-V72 CarbonylContact O-C 3.59Å; R63-V72 VanDerWaalsContact O-CA 3.25Å; R63-V72 WeakPolarHBondContact O-CA 3.37Å; F64-V72 HydrophobicContact CD1-CG1 3.63Å; F64-V72 HydrophobicContact CE1-CG1 3.69Å; F64-V72 HydrophobicContact CG-CG1 4.21Å; F64-V72 HydrophobicContact CZ-CG1 4.3Å; V72-K78 CarbonylContact O-C 3.17Å; V72-K78 WeakPolarHBondContact O-CA 3.47Å; V72-L79 HydrophobicContact CG2-CB 3.97Å; V72-L79 HydrophobicContact CG2-CD1 4.42Å; V72-L79 PolarHBondContact N-O 3.46Å; V72-L79 PolarHBondContact O-N 3.14Å
73E97.7Very high96Very high44 Ų4469.4 Ų69.421%0.20638%0.376CS..EExtended strand (participates in β ladder)trans-111.4132172.7-170.7-165.715200109.6A62 R63 T65 G76 R77A62-E73 WeakPolarHBondContact CA-O 3.25Å; R63-E73 HydrophobicContact CG-CB 4.34Å; R63-E73 IonicContact CZ-OE2 3.76Å; R63-E73 PolarHBondContact N-O 3.11Å; R63-E73 VanDerWaalsContact N-O 3.15Å; R63-E73 IonicContact NE-OE2 3.62Å; R63-E73 PolarHBondContact NE-OE2 3.24Å; R63-E73 IonicContact NH2-OE1 2.66Å; R63-E73 PolarHBondContact NH2-OE1 2.75Å; R63-E73 IonicContact NH2-OE2 3.91Å; R63-E73 PolarHBondContact NH2-OE2 2.86Å; R63-E73 PolarHBondContact O-N 2.82Å; T65-E73 HydrophobicContact CG2-CB 3.79Å; E73-G76 WeakPolarHBondContact OE1-CA 3.45Å; E73-R77 WeakPolarHBondContact CA-O 3.48Å
74V98.2Very high96Very high11 Ų1164.6 Ų64.67%0.06736%0.359CS..EExtended strand (participates in β ladder)trans-131.7120.2172.6-170.10000108.2I58 A62 G76 R77 L79I58-V74 HydrophobicContact CG2-CB 4.08Å; I58-V74 HydrophobicContact CG2-CG1 3.83Å; I58-V74 HydrophobicContact CG2-CG2 4.46Å; A62-V74 HydrophobicContact CB-CG2 3.7Å; V74-G76 PolarHBondContact O-N 3.25Å; V74-R77 PolarHBondContact N-O 2.68Å; V74-R77 WeakPolarHBondContact O-CB 3.5Å; V74-R77 PolarHBondContact O-N 3.44Å; V74-L79 HydrophobicContact CG2-CD1 4.18Å
75N96.6Very high96.1Very high130 Ų13068 Ų6870%0.69538%0.377SS*.THydrogen-bonded Turntrans50.740.5-179.3-52.2-29.9000113.5Q59 R77Q59-N75 PolarHBondContact O-ND2 3.28Å; N75-R77 VanDerWaalsContact C-N 3.26Å; N75-R77 PolarHBondContact O-N 3.48Å
76G95.9Very high96.2Very high55 Ų5567.9 Ų67.957%0.56738%0.376SS*.THydrogen-bonded Turntrans80.7-8.6-177.300000115.6E73 V74E73-G76 WeakPolarHBondContact OE1-CA 3.45Å; V74-G76 PolarHBondContact O-N 3.25Å
77R97.6Very high96.6Very high122 Ų12265 Ų6546%0.4637%0.369SS..EExtended strand (participates in β ladder)trans-90119176.4-177.2179.3173.4-157.8-6.1109.8E56 E73 V74 N75 L79E56-R77 IonicContact OE1-CZ 3.2Å; E56-R77 IonicContact OE1-NH1 2.92Å; E56-R77 PolarHBondContact OE1-NH1 2.89Å; E56-R77 IonicContact OE1-NH2 3.99Å; E56-R77 PolarHBondContact OE1-NH2 2.75Å; E56-R77 IonicContact OE2-NH2 2.83Å; E73-R77 WeakPolarHBondContact CA-O 3.48Å; V74-R77 PolarHBondContact N-O 2.68Å; V74-R77 WeakPolarHBondContact O-CB 3.5Å; V74-R77 PolarHBondContact O-N 3.44Å; N75-R77 VanDerWaalsContact C-N 3.26Å; N75-R77 PolarHBondContact O-N 3.48Å; R77-L79 HydrophobicContact CG-CD2 4.23Å; R77-L79 HydrophobicContact CG-CG 4.45Å
78K97.8Very high96.9Very high118 Ų11864.9 Ų64.951%0.51337%0.371SS..EExtended strand (participates in β ladder)trans-80.2139.5171.4-67.8-168.1176.9-1640111.5D67 T71 V72D67-K78 IonicContact OD1-NZ 3.35Å; D67-K78 PolarHBondContact OD1-NZ 3.02Å; D67-K78 VanDerWaalsContact OD1-NZ 3.13Å; D67-K78 IonicContact OD2-NZ 3.89Å; D67-K78 PolarHBondContact OD2-NZ 3.06Å; T71-K78 HydrophobicContact CG2-CB 4.04Å; T71-K78 HydrophobicContact CG2-CD 4.3Å; T71-K78 HydrophobicContact CG2-CG 4.41Å; V72-K78 CarbonylContact O-C 3.17Å; V72-K78 WeakPolarHBondContact O-CA 3.47Å
79L98.1Very high97.4Very high41 Ų4160.3 Ų60.322%0.21535%0.345CS..EExtended strand (participates in β ladder)trans-138.7135.2-177.4-59.5162.3000109I58 T71 V72 V74 R77I58-L79 HydrophobicContact CD1-CD1 3.36Å; I58-L79 HydrophobicContact CD1-CD2 4.08Å; I58-L79 HydrophobicContact CD1-CG 4.37Å; T71-L79 CarbonylContact C-O 3.58Å; T71-L79 WeakPolarHBondContact CA-O 3.44Å; T71-L79 WeakPolarHBondContact CG2-O 3.18Å; V72-L79 HydrophobicContact CG2-CB 3.97Å; V72-L79 HydrophobicContact CG2-CD1 4.42Å; V72-L79 PolarHBondContact N-O 3.46Å; V72-L79 PolarHBondContact O-N 3.14Å; V74-L79 HydrophobicContact CG2-CD1 4.18Å; R77-L79 HydrophobicContact CG-CD2 4.23Å; R77-L79 HydrophobicContact CG-CG 4.45Å
80T97.8Very high97.6Very high94 Ų9454.9 Ų54.958%0.57733%0.325SS*.EExtended strand (participates in β ladder)trans-132.7154.2178-172.70000110.7P70P70-T80 PolarHBondContact O-OG1 3.12Å
81A97.9Very high97.8Very high41 Ų4158.3 Ų58.334%0.33934%0.339SS..  trans-155.8152.3175.600000109.8H83 I84A81-H83 PolarHBondContact O-N 2.89Å; A81-I84 HydrophobicContact CB-CG1 4.35Å
82P97.3Very high97.8Very high108 Ų10858.3 Ų58.370%0.70134%0.34SS*.SBendtrans-65.4-18.4172.827.9-35.5000112.9G259P82-G259 WeakPolarHBondContact O-CA 3.47Å
83H98.3Very high97.7Very high69 Ų6957.8 Ų57.832%0.31934%0.337SS..  trans-133.6117.4178.9-57.7-59.9000110.3A81 G259 Y261 L287 F288A81-H83 PolarHBondContact O-N 2.89Å; H83-G259 CarbonylContact C-O 3.25Å; H83-G259 WeakPolarHBondContact CA-O 3.16Å; H83-Y261 HydrophobicContact CB-CE2 3.83Å; H83-Y261 AromaticContact ND1-CE2 3.56Å; H83-Y261 AromaticContact ND1-CZ 3.67Å; H83-Y261 PolarHBondContact ND1-OH 3.44Å; H83-L287 HydrophobicContact CB-CD1 4.18Å; H83-F288 HydrophobicContact CB-CZ 4.33Å; H83-F288 AromaticContact CD2-CE1 3.76Å
84I98.5Very high97.3Very high23 Ų2360 Ų6012%0.11835%0.354CS..EExtended strand (participates in β ladder)trans-119.4123.6176.3-59.3-178.1000108.9F64 P70 A81 G259 I260 Y261F64-I84 HydrophobicContact CE1-CD1 4.13Å; F64-I84 HydrophobicContact CE1-CG2 4.06Å; F64-I84 HydrophobicContact CZ-CG2 3.98Å; P70-I84 HydrophobicContact CB-CD1 3.63Å; A81-I84 HydrophobicContact CB-CG1 4.35Å; I84-G259 PolarHBondContact N-O 2.85Å; I84-I260 WeakPolarHBondContact O-CA 3.37Å; I84-Y261 WeakPolarHBondContact O-CD2 3.27Å; I84-Y261 PolarHBondContact O-N 2.9Å
85L98.8Very high97.1Very high80 Ų8061.4 Ų61.442%0.41936%0.361SS..EExtended strand (participates in β ladder)trans-103.9122.9176.5175.860.4000110.7A87 V263 L283L85-A87 HydrophobicContact CG-CB 4.31Å; L85-V263 HydrophobicContact CD1-CB 4.37Å; L85-V263 HydrophobicContact CD1-CG1 3.94Å; L85-V263 HydrophobicContact CD1-CG2 3.91Å; L85-V263 HydrophobicContact CD2-CG2 4.08Å; L85-V263 HydrophobicContact CG-CG2 4.36Å; L85-L283 HydrophobicContact CD1-CD2 3.7Å; L85-L283 HydrophobicContact CD2-CD2 4.38Å
86I98.7Very high97Very high9 Ų957.3 Ų57.35%0.04634%0.342CS..EExtended strand (participates in β ladder)trans-90110170-53.2168.3000108.5F64 T88 L232 I234 L239 I247 I260 Y261 A262 V263 V266F64-I86 HydrophobicContact CE2-CD1 3.72Å; F64-I86 HydrophobicContact CE2-CG1 4.09Å; F64-I86 HydrophobicContact CZ-CD1 3.92Å; F64-I86 HydrophobicContact CZ-CG1 4.06Å; I86-T88 HydrophobicContact CG2-CG2 4.15Å; I86-L232 HydrophobicContact CG2-CD1 4.27Å; I86-I234 HydrophobicContact CD1-CD1 4.11Å; I86-L239 HydrophobicContact CD1-CD1 3.85Å; I86-I247 HydrophobicContact CB-CD1 3.97Å; I86-I247 HydrophobicContact CD1-CD1 3.61Å; I86-I247 HydrophobicContact CG1-CD1 4.39Å; I86-I247 HydrophobicContact CG2-CD1 3.54Å; I86-I260 HydrophobicContact CD1-CG2 3.74Å; I86-I260 HydrophobicContact CG1-CG2 4.18Å; I86-Y261 PolarHBondContact N-O 3.09Å; I86-A262 HydrophobicContact CB-CB 4.18Å; I86-A262 VanDerWaalsContact O-CA 3.26Å; I86-A262 WeakPolarHBondContact O-CA 3.33Å; I86-V263 PolarHBondContact O-N 2.87Å; I86-V263 VanDerWaalsContact O-N 3.17Å; I86-V266 HydrophobicContact CG2-CG2 4.45Å
87A98.6Very high97Very high63 Ų6358 Ų5852%0.52133%0.333SS..  trans-130.841.2179.200000111.1L85 G89 V263L85-A87 HydrophobicContact CG-CB 4.31Å; A87-G89 PolarHBondContact O-N 3.08Å; A87-V263 HydrophobicContact CB-CG2 4.08Å
88T98.4Very high96.9Very high51 Ų5160.2 Ų60.231%0.31335%0.348SS..  trans-76.1-4.2-172.652.30000114.4I86 N228 L232I86-T88 HydrophobicContact CG2-CG2 4.15Å; T88-N228 WeakPolarHBondContact CB-O 3.39Å; T88-N228 WeakPolarHBondContact O-CB 3.17Å; T88-N228 PolarHBondContact OG1-O 2.93Å; T88-L232 HydrophobicContact CG2-CD1 3.83Å; T88-L232 HydrophobicContact CG2-CD2 4.24Å
89G98.3Very high96.9Very high21 Ų2160.4 Ų60.422%0.21635%0.351CS..  trans68.1-142.6176.100000113A87 N228 V266A87-G89 PolarHBondContact O-N 3.08Å; G89-N228 PolarHBondContact O-N 2.83Å; G89-V266 WeakPolarHBondContact O-CA 3.27Å; G89-V266 PolarHBondContact O-N 3.27Å
90G96.7Very high96.9Very high19 Ų1959 Ų5920%0.19634%0.344CS..EExtended strand (participates in β ladder)trans-150.2177.5179.400000112R225 Q226G90-R225 VanDerWaalsContact C-NH2 3.26Å; G90-R225 PolarHBondContact O-NH2 3.11Å; G90-Q226 CarbonylContact C-O 3.53Å; G90-Q226 WeakPolarHBondContact CA-O 3.45Å
91Q97.1Very high96.9Very high86 Ų8658.1 Ų58.140%0.40234%0.34SS..EExtended strand (participates in β ladder)trans-134.1158.6-178.762.4-170.81100110.6R225 Q226Q91-R225 CarbonylContact O-C 3.59Å; Q91-R225 VanDerWaalsContact O-CA 3.26Å; Q91-R225 WeakPolarHBondContact O-CA 3.44Å; Q91-Q226 PolarHBondContact N-O 2.95Å; Q91-Q226 PolarHBondContact O-N 3.25Å
92P97.8Very high96.9Very high14 Ų1456.9 Ų56.99%0.09133%0.331CS..EExtended strand (participates in β ladder)trans-57.9139.8175.4-23.435000111.7T108 D110P92-T108 HydrophobicContact CB-CG2 3.79Å; P92-T108 HydrophobicContact CG-CG2 4.48Å; P92-D110 VanDerWaalsContact CD-OD2 3.32Å; P92-D110 WeakPolarHBondContact CD-OD2 3.42Å; P92-D110 WeakPolarHBondContact CG-OD2 3.44Å
93S95.5Very high96.9Very high14 Ų1451.9 Ų51.910%0.09830%0.299CS..  trans-68.4132.4167.1-63.90000109.5G224 R225 Q226S93-G224 PolarHBondContact N-O 3.46Å; S93-G224 VanDerWaalsContact OG-C 3.26Å; S93-G224 PolarHBondContact OG-O 3.43Å; S93-R225 PolarHBondContact OG-N 3.27Å; S93-Q226 WeakPolarHBondContact OG-CG 3.47Å
94V89.1Confident96.9Very high91 Ų9152.5 Ų52.555%0.55231%0.311SS*.  trans-113.3152.4172.7-650000109.8T108V94-T108 HydrophobicContact CG1-CG2 3.78Å
95L93.8Very high96.9Very high41 Ų4154.8 Ų54.822%0.21532%0.323CS..  trans-94.4141.9168.4-67.8170.5000108.7E99 V100 A103 W221 I223L95-E99 HydrophobicContact CD2-CB 4.42Å; L95-V100 HydrophobicContact CD1-CB 4.47Å; L95-V100 HydrophobicContact CD1-CG2 3.98Å; L95-A103 HydrophobicContact CB-CB 3.79Å; L95-A103 WeakPolarHBondContact O-CB 3.27Å; L95-W221 HydrophobicContact CD1-CD2 4.4Å; L95-W221 HydrophobicContact CD1-CE3 3.86Å; L95-W221 HydrophobicContact CD1-CH2 3.94Å; L95-W221 HydrophobicContact CD1-CZ2 4.45Å; L95-W221 HydrophobicContact CD1-CZ3 3.6Å; L95-I223 HydrophobicContact CD1-CD1 4.09Å; L95-I223 HydrophobicContact CD2-CD1 3.9Å; L95-I223 HydrophobicContact CG-CD1 3.61Å
96S94.6Very high96.9Very high43 Ų4351.8 Ų51.830%0.30131%0.312SS..  trans-77.9158.3171.163.20000111.5E98 E99 V100S96-E98 VanDerWaalsContact CB-OE2 3.27Å; S96-E98 WeakPolarHBondContact CB-OE2 3.4Å; S96-E98 PolarHBondContact O-N 2.88Å; S96-E99 WeakPolarHBondContact CB-OE2 3.35Å; S96-E99 PolarHBondContact N-OE2 3.01Å; S96-E99 PolarHBondContact O-N 3.39Å; S96-E99 VanDerWaalsContact O-N 3.14Å; S96-E99 VanDerWaalsContact OG-CG 3.26Å; S96-E99 WeakPolarHBondContact OG-CG 3.45Å; S96-E99 PolarHBondContact OG-N 3.02Å; S96-E99 PolarHBondContact OG-OE2 3.31Å; S96-V100 PolarHBondContact O-N 3.04Å; S96-V100 VanDerWaalsContact O-N 3.07Å
97D96.6Very high96.9Very high70 Ų7053.7 Ų53.737%0.37432%0.321SS..THydrogen-bonded Turntrans-69.7-17.4176.1-76.4-21.1000111.8V100 P101 G102 A103 S104D97-V100 WeakPolarHBondContact CA-O 3.4Å; D97-V100 CarbonylContact O-C 3.51Å; D97-P101 WeakPolarHBondContact O-CA 3.32Å; D97-G102 WeakPolarHBondContact OD1-CA 3.42Å; D97-G102 PolarHBondContact OD1-N 3.16Å; D97-A103 PolarHBondContact OD1-N 3.42Å; D97-S104 PolarHBondContact OD1-N 2.96Å; D97-S104 PolarHBondContact OD1-OG 3.35Å; D97-S104 VanDerWaalsContact OD1-OG 3.13Å; D97-S104 PolarHBondContact OD2-OG 2.91Å
98E96.4Very high96.9Very high168 Ų16851.6 Ų51.679%0.78530%0.302SS*.THydrogen-bonded Turntrans-71.9-37.4168.8-64.182.7-177.300112.7S96S96-E98 VanDerWaalsContact CB-OE2 3.27Å; S96-E98 WeakPolarHBondContact CB-OE2 3.4Å; S96-E98 PolarHBondContact O-N 2.88Å
99E95.9Very high96.9Very high122 Ų12249.8 Ų49.857%0.5729%0.292SS*.THydrogen-bonded Turntrans-74.1-44.7177.8-73.6166.8111.500111.9L95 S96L95-E99 HydrophobicContact CD2-CB 4.42Å; S96-E99 WeakPolarHBondContact CB-OE2 3.35Å; S96-E99 PolarHBondContact N-OE2 3.01Å; S96-E99 PolarHBondContact O-N 3.39Å; S96-E99 VanDerWaalsContact O-N 3.14Å; S96-E99 VanDerWaalsContact OG-CG 3.26Å; S96-E99 WeakPolarHBondContact OG-CG 3.45Å; S96-E99 PolarHBondContact OG-N 3.02Å; S96-E99 PolarHBondContact OG-OE2 3.31Å
100V98.1Very high96.9Very high13 Ų1353 Ų538%0.07930%0.304CS..SBendtrans-140.1108177.2172.20000107.7L95 S96 D97 G102 A103 V183 W221L95-V100 HydrophobicContact CD1-CB 4.47Å; L95-V100 HydrophobicContact CD1-CG2 3.98Å; S96-V100 PolarHBondContact O-N 3.04Å; S96-V100 VanDerWaalsContact O-N 3.07Å; D97-V100 WeakPolarHBondContact CA-O 3.4Å; D97-V100 CarbonylContact O-C 3.51Å; V100-G102 PolarHBondContact O-N 2.93Å; V100-G102 VanDerWaalsContact O-N 3.13Å; V100-A103 HydrophobicContact CB-CB 4.13Å; V100-A103 HydrophobicContact CG1-CB 4.43Å; V100-A103 VanDerWaalsContact O-CB 3.22Å; V100-A103 WeakPolarHBondContact O-CB 3.49Å; V100-A103 PolarHBondContact O-N 3.07Å; V100-V183 HydrophobicContact CG1-CG1 3.91Å; V100-W221 HydrophobicContact CG1-CH2 4.43Å
101P98.6Very high97Very high75 Ų7553.1 Ų53.149%0.48731%0.305SS..THydrogen-bonded Turntrans-53.9121.6178.6-29.336.2000111.7D97 S185 V186D97-P101 WeakPolarHBondContact O-CA 3.32Å; P101-S185 CarbonylContact O-C 3.49Å; P101-S185 WeakPolarHBondContact O-CA 3.31Å; P101-V186 PolarHBondContact O-N 3.03Å
102G98.3Very high97Very high15 Ų1549 Ų4916%0.15529%0.286CS..THydrogen-bonded Turntrans84.311.6-17800000115D97 V100 S104 L105 V186D97-G102 WeakPolarHBondContact OD1-CA 3.42Å; D97-G102 PolarHBondContact OD1-N 3.16Å; V100-G102 PolarHBondContact O-N 2.93Å; V100-G102 VanDerWaalsContact O-N 3.13Å; G102-S104 PolarHBondContact O-N 3.48Å; G102-L105 VanDerWaalsContact O-CB 3.29Å; G102-L105 WeakPolarHBondContact O-CB 3.44Å; G102-L105 WeakPolarHBondContact O-CG 3.33Å; G102-L105 PolarHBondContact O-N 2.95Å; G102-V186 WeakPolarHBondContact CA-O 3.4Å; G102-V186 WeakPolarHBondContact O-CB 3.43Å
103A98.1Very high97.1Very high2 Ų252.4 Ų52.42%0.01730%0.299CS..G310 helixtrans-52.7-35.7174.200000113.3L95 D97 V100 L105 G106 W221L95-A103 HydrophobicContact CB-CB 3.79Å; L95-A103 WeakPolarHBondContact O-CB 3.27Å; D97-A103 PolarHBondContact OD1-N 3.42Å; V100-A103 HydrophobicContact CB-CB 4.13Å; V100-A103 HydrophobicContact CG1-CB 4.43Å; V100-A103 VanDerWaalsContact O-CB 3.22Å; V100-A103 WeakPolarHBondContact O-CB 3.49Å; V100-A103 PolarHBondContact O-N 3.07Å; A103-L105 PolarHBondContact O-N 3.28Å; A103-L105 VanDerWaalsContact O-N 3.15Å; A103-G106 PolarHBondContact O-N 2.92Å; A103-W221 HydrophobicContact CB-CZ2 4.16Å; A103-W221 PolarHBondContact O-NE1 3.42Å
104S97.9Very high97.2Very high83 Ų8358.1 Ų58.158%0.5832%0.324SS*.G310 helixtrans-62-15.817861.50000114.4D97 G102 G106D97-S104 PolarHBondContact OD1-N 2.96Å; D97-S104 PolarHBondContact OD1-OG 3.35Å; D97-S104 VanDerWaalsContact OD1-OG 3.13Å; D97-S104 PolarHBondContact OD2-OG 2.91Å; G102-S104 PolarHBondContact O-N 3.48Å; S104-G106 VanDerWaalsContact C-N 3.28Å
105L98.3Very high97.7Very high71 Ų7155.4 Ų55.437%0.37231%0.307SS..G310 helixtrans-76.2-16.5174-61.4171.6000113G102 A103 V186 K188 L193G102-L105 VanDerWaalsContact O-CB 3.29Å; G102-L105 WeakPolarHBondContact O-CB 3.44Å; G102-L105 WeakPolarHBondContact O-CG 3.33Å; G102-L105 PolarHBondContact O-N 2.95Å; A103-L105 PolarHBondContact O-N 3.28Å; A103-L105 VanDerWaalsContact O-N 3.15Å; L105-V186 HydrophobicContact CB-CG1 4.27Å; L105-V186 HydrophobicContact CD1-CG1 4.14Å; L105-K188 HydrophobicContact CD1-CB 4.25Å; L105-L193 HydrophobicContact CB-CD1 4.33Å; L105-L193 HydrophobicContact CB-CD2 4Å; L105-L193 HydrophobicContact CD1-CD2 4.11Å
106G98.3Very high97.9Very high17 Ų1758.6 Ų58.618%0.17532%0.32CS..SBendtrans-84.2164.5174.800000112.8A103 S104 L219A103-G106 PolarHBondContact O-N 2.92Å; S104-G106 VanDerWaalsContact C-N 3.28Å; G106-L219 CarbonylContact C-O 3.51Å; G106-L219 VanDerWaalsContact CA-O 3.28Å; G106-L219 WeakPolarHBondContact CA-O 3.46Å
107I98.7Very high98.1Very high48 Ų4861.3 Ų61.325%0.24634%0.335CS..BIsolated β-bridgetrans-108.4174.9173.967174.3000110.7L115 C218 L219 L220 W221I107-L115 HydrophobicContact CD1-CD1 4.3Å; I107-L115 HydrophobicContact CD1-CD2 4.26Å; I107-L115 HydrophobicContact CD1-CG 4.33Å; I107-C218 VanDerWaalsContact CD1-SG 3.59Å; I107-L219 WeakPolarHBondContact CG1-O 3.41Å; I107-L219 PolarHBondContact N-O 3.02Å; I107-L220 HydrophobicContact CG1-CB 4.28Å; I107-L220 HydrophobicContact CG1-CG 4.33Å; I107-L220 CarbonylContact O-C 3.57Å; I107-L220 WeakPolarHBondContact O-CA 3.28Å; I107-W221 PolarHBondContact O-N 3.47Å
108T98.8Very high98.1Very high20 Ų2060 Ų6012%0.12333%0.328CS..  trans-117.3-170.6171.166.30000109.8P92 V94 D110 G111 F112P92-T108 HydrophobicContact CB-CG2 3.79Å; P92-T108 HydrophobicContact CG-CG2 4.48Å; V94-T108 HydrophobicContact CG1-CG2 3.78Å; T108-D110 PolarHBondContact O-N 3.46Å; T108-D110 PolarHBondContact OG1-N 3.04Å; T108-G111 PolarHBondContact O-N 3.06Å; T108-F112 PolarHBondContact O-N 3.1Å
109S98.2Very high98.3Very high13 Ų1352.1 Ų52.19%0.09129%0.292CS..Hα-helixtrans-55.8-31.3170.354.30000113.2F112 F113S109-F112 WeakPolarHBondContact O-CB 3.5Å; S109-F112 PolarHBondContact O-N 3.17Å; S109-F113 WeakPolarHBondContact O-CD2 3.45Å; S109-F113 PolarHBondContact O-N 2.98Å
110D98.3Very high98.4Very high89 Ų8953.7 Ų53.748%0.47630%0.297SS..Hα-helixtrans-68-49-179.6-60-8000109.4P92 T108 F112 F113 E114P92-D110 VanDerWaalsContact CD-OD2 3.32Å; P92-D110 WeakPolarHBondContact CD-OD2 3.42Å; P92-D110 WeakPolarHBondContact CG-OD2 3.44Å; T108-D110 PolarHBondContact O-N 3.46Å; T108-D110 PolarHBondContact OG1-N 3.04Å; D110-F112 VanDerWaalsContact C-N 3.27Å; D110-F112 PolarHBondContact O-N 3.07Å; D110-F113 PolarHBondContact O-N 3.44Å; D110-F113 VanDerWaalsContact O-N 3.15Å; D110-E114 PolarHBondContact O-N 3.06Å
111G98.4Very high98.4Very high21 Ų2155.6 Ų55.622%0.21630%0.302CS..Hα-helixtrans-64-28.217500000113.9T108 F113 E114 L115T108-G111 PolarHBondContact O-N 3.06Å; G111-F113 VanDerWaalsContact C-N 3.28Å; G111-F113 PolarHBondContact O-N 3Å; G111-E114 PolarHBondContact O-N 3.05Å; G111-E114 VanDerWaalsContact O-N 3.07Å; G111-L115 PolarHBondContact O-N 3.11Å
112F98.8Very high98.4Very high0 Ų052 Ų520%028%0.279CS..Hα-helixtrans-59.8-40.4173.8169.8-91.4000111.8M1 W28 T108 S109 D110 E114 L115 M134 I137 L138 L220M1-F112 HydrophobicContact CE-CZ 4.32Å; M1-F112 HydrophobicContact CG-CE1 4.19Å; W28-F112 AromaticContact CH2-CE2 3.82Å; W28-F112 HydrophobicContact CH2-CE2 3.82Å; W28-F112 AromaticContact CH2-CZ 3.79Å; W28-F112 HydrophobicContact CH2-CZ 3.79Å; W28-F112 HydrophobicContact CZ2-CE2 4.46Å; W28-F112 HydrophobicContact CZ2-CZ 4.42Å; T108-F112 PolarHBondContact O-N 3.1Å; S109-F112 WeakPolarHBondContact O-CB 3.5Å; S109-F112 PolarHBondContact O-N 3.17Å; D110-F112 VanDerWaalsContact C-N 3.27Å; D110-F112 PolarHBondContact O-N 3.07Å; F112-E114 VanDerWaalsContact C-N 3.25Å; F112-E114 PolarHBondContact O-N 2.85Å; F112-L115 HydrophobicContact CD2-CD1 3.97Å; F112-L115 WeakPolarHBondContact O-CB 3.49Å; F112-L115 PolarHBondContact O-N 2.91Å; F112-M134 HydrophobicContact CD1-CE 3.96Å; F112-M134 HydrophobicContact CD1-SD 3.51Å; F112-M134 VanDerWaalsContact CD1-SD 3.51Å; F112-M134 HydrophobicContact CD2-SD 3.99Å; F112-M134 HydrophobicContact CE1-CE 4.17Å; F112-M134 HydrophobicContact CE1-SD 3.45Å; F112-M134 WeakPolarHBondContact CE1-SD 3.48Å; F112-M134 HydrophobicContact CE2-SD 3.93Å; F112-M134 HydrophobicContact CG-SD 3.78Å; F112-M134 HydrophobicContact CZ-SD 3.67Å; F112-I137 HydrophobicContact CZ-CG2 4.09Å; F112-L138 HydrophobicContact CD2-CD1 4.38Å; F112-L138 HydrophobicContact CE2-CD1 4.08Å; F112-L138 HydrophobicContact CE2-CD2 3.94Å; F112-L138 HydrophobicContact CE2-CG 3.89Å; F112-L220 HydrophobicContact CB-CD1 3.78Å; F112-L220 HydrophobicContact CD2-CD1 4.02Å; F112-L220 HydrophobicContact CG-CD1 4.23Å
113F98.4Very high98.4Very high84 Ų8451.3 Ų51.337%0.36827%0.272SS..Hα-helixtrans-71.5-23.7177.2-65.6-66.4000111.9M1 R35 S109 D110 G111 M134M1-F113 HydrophobicContact CG-CE1 4.46Å; R35-F113 PolarHBondContact NH1-O 2.82Å; R35-F113 PolarHBondContact NH2-O 3.1Å; S109-F113 WeakPolarHBondContact O-CD2 3.45Å; S109-F113 PolarHBondContact O-N 2.98Å; D110-F113 PolarHBondContact O-N 3.44Å; D110-F113 VanDerWaalsContact O-N 3.15Å; G111-F113 VanDerWaalsContact C-N 3.28Å; G111-F113 PolarHBondContact O-N 3Å; F113-M134 HydrophobicContact CE2-CE 4.27Å; F113-M134 HydrophobicContact CZ-CE 3.95Å
114E98.5Very high98.5Very high134 Ų13451.2 Ų51.263%0.62627%0.271SS*.Hα-helixtrans-80.1-11174.8-61.3-53.6140.800114.5D110 G111 F112 E116D110-E114 PolarHBondContact O-N 3.06Å; G111-E114 PolarHBondContact O-N 3.05Å; G111-E114 VanDerWaalsContact O-N 3.07Å; F112-E114 VanDerWaalsContact C-N 3.25Å; F112-E114 PolarHBondContact O-N 2.85Å; E114-E116 PolarHBondContact O-N 3.14Å
115L98.6Very high98.5Very high35 Ų3548 Ų4818%0.18325%0.248CC..  trans-56.5124.5178-69.4172.7000111.6W28 K32 I107 G111 F112 P119W28-L115 HydrophobicContact CZ2-CB 4.04Å; W28-L115 HydrophobicContact CZ2-CD1 4.35Å; W28-L115 PolarHBondContact NE1-O 3.35Å; K32-L115 VanDerWaalsContact CD-O 3.29Å; K32-L115 WeakPolarHBondContact CD-O 3.49Å; K32-L115 WeakPolarHBondContact CE-O 3.38Å; I107-L115 HydrophobicContact CD1-CD1 4.3Å; I107-L115 HydrophobicContact CD1-CD2 4.26Å; I107-L115 HydrophobicContact CD1-CG 4.33Å; G111-L115 PolarHBondContact O-N 3.11Å; F112-L115 HydrophobicContact CD2-CD1 3.97Å; F112-L115 WeakPolarHBondContact O-CB 3.49Å; F112-L115 PolarHBondContact O-N 2.91Å; L115-P119 HydrophobicContact CD1-CG 3.94Å; L115-P119 HydrophobicContact CD2-CG 4.43Å
116E98.3Very high98.5Very high108 Ų10845.1 Ų45.151%0.50524%0.235SC..SBendtrans-87.5-21.7177.5-66.1-63.1164.400113K32 E114K32-E116 WeakPolarHBondContact CD-OE2 3.26Å; K32-E116 WeakPolarHBondContact CE-OE1 3.38Å; K32-E116 VanDerWaalsContact CE-OE2 3.28Å; K32-E116 WeakPolarHBondContact CE-OE2 3.48Å; K32-E116 VanDerWaalsContact NZ-CD 3.35Å; K32-E116 IonicContact NZ-OE1 2.9Å; K32-E116 PolarHBondContact NZ-OE1 3.01Å; K32-E116 IonicContact NZ-OE2 3.88Å; K32-E116 PolarHBondContact NZ-OE2 2.92Å; E114-E116 PolarHBondContact O-N 3.14Å
117T98.1Very high98.5Very high100 Ų10045.7 Ų45.761%0.61324%0.238SC*.SBendtrans-133.7153179.756.80000110.8P119T117-P119 VanDerWaalsContact O-CD 3.3Å; T117-P119 WeakPolarHBondContact O-CD 3.43Å
118L98.5Very high98.5Very high41 Ų4144.9 Ų44.922%0.21524%0.242CC..  trans-67.6120.1170.4177.268.3000109.2F26 W28 L138 L141F26-L118 HydrophobicContact CD1-CD2 4.18Å; F26-L118 HydrophobicContact CE1-CB 4.42Å; F26-L118 HydrophobicContact CE1-CD2 4.18Å; W28-L118 HydrophobicContact CB-CB 4.14Å; W28-L118 HydrophobicContact CD2-CB 4.2Å; W28-L118 HydrophobicContact CE3-CB 3.84Å; W28-L118 HydrophobicContact CE3-CD1 3.7Å; W28-L118 HydrophobicContact CE3-CG 4.35Å; W28-L118 HydrophobicContact CG-CB 4.36Å; W28-L118 HydrophobicContact CZ3-CD1 3.62Å; L118-L138 HydrophobicContact CD1-CD2 3.95Å; L118-L141 HydrophobicContact CD1-CB 4.27Å; L118-L141 HydrophobicContact CD2-CB 4.5Å; L118-L141 WeakPolarHBondContact CD2-O 3.48Å
119P98.5Very high98.3Very high4 Ų448.2 Ų48.23%0.02625%0.253CS..  trans-64.1136.2173.7-17.430.9000110.2L115 T117 R121 S143 E217 C218L115-P119 HydrophobicContact CD1-CG 3.94Å; L115-P119 HydrophobicContact CD2-CG 4.43Å; T117-P119 VanDerWaalsContact O-CD 3.3Å; T117-P119 WeakPolarHBondContact O-CD 3.43Å; P119-R121 VanDerWaalsContact C-N 3.3Å; P119-R121 PolarHBondContact O-N 3.38Å; P119-S143 WeakPolarHBondContact O-CB 3.34Å; P119-S143 PolarHBondContact O-OG 3.07Å; P119-E217 WeakPolarHBondContact CA-OE2 3.32Å; P119-E217 HydrophobicContact CB-CB 3.92Å; P119-C218 HydrophobicContact CB-CB 3.63Å; P119-C218 HydrophobicContact CG-CB 3.52Å
120K98.4Very high98.3Very high155 Ų15549 Ų4967%0.67426%0.256SS*.SBendtrans-68.9-32.5177.3-64.9179.2-172.7163.80112.2K144 E217K120-K144 PolarHBondContact O-N 3.29Å; K120-E217 WeakPolarHBondContact CD-OE1 3.32Å; K120-E217 PolarHBondContact N-OE2 2.92Å
121R98.8Very high98.4Very high53 Ų5344.8 Ų44.820%0.223%0.233CC..EExtended strand (participates in β ladder)trans-136.5124.7178.4-168.6172-165.4151.2-0.6111P119 K144 E214 E215 E217 C218P119-R121 VanDerWaalsContact C-N 3.3Å; P119-R121 PolarHBondContact O-N 3.38Å; R121-K144 WeakPolarHBondContact CA-O 3.32Å; R121-K144 HydrophobicContact CG-CB 4.44Å; R121-E214 WeakPolarHBondContact CD-O 3.28Å; R121-E215 WeakPolarHBondContact CB-O 3.38Å; R121-E217 PolarHBondContact O-N 2.83Å; R121-C218 PolarHBondContact O-N 3.13Å
122S98.9Very high98.4Very high0 Ų043.8 Ų43.80%022%0.223CC..EExtended strand (participates in β ladder)trans-123.6137.7-177.3-57.30000111.5S143 K144 T145 S146 C218S122-S143 VanDerWaalsContact CB-OG 3.29Å; S122-S143 WeakPolarHBondContact CB-OG 3.26Å; S122-S143 PolarHBondContact N-OG 2.85Å; S122-S143 PolarHBondContact OG-OG 2.95Å; S122-K144 PolarHBondContact N-O 2.86Å; S122-T145 WeakPolarHBondContact O-CA 3.48Å; S122-S146 PolarHBondContact O-N 3.49Å; S122-C218 CarbonylContact C-O 3.58Å; S122-C218 VanDerWaalsContact CA-O 3.28Å; S122-C218 WeakPolarHBondContact CA-O 3.22Å
123V98.9Very high98.4Very high0 Ų045.4 Ų45.40%023%0.23CC..EExtended strand (participates in β ladder)trans-118.5116.9170.2177.30000107.9V125 S146 V148 I213 V216 C218 L219 L220V123-V125 HydrophobicContact CG1-CG2 4.33Å; V123-S146 WeakPolarHBondContact CA-O 3.35Å; V123-V148 HydrophobicContact CG1-CG2 3.8Å; V123-I213 HydrophobicContact CG2-CB 4.41Å; V123-I213 HydrophobicContact CG2-CD1 3.96Å; V123-I213 HydrophobicContact CG2-CG2 3.97Å; V123-V216 HydrophobicContact CB-CG1 4.17Å; V123-V216 HydrophobicContact CG2-CB 4.41Å; V123-V216 HydrophobicContact CG2-CG1 3.83Å; V123-V216 HydrophobicContact CG2-CG2 3.62Å; V123-C218 PolarHBondContact N-O 2.81Å; V123-L219 HydrophobicContact CB-CD1 3.97Å; V123-L219 HydrophobicContact CG1-CD1 3.8Å; V123-L219 CarbonylContact O-C 3.6Å; V123-L219 WeakPolarHBondContact O-CA 3.46Å; V123-L220 PolarHBondContact O-N 2.97Å
124I98.9Very high98.4Very high0 Ų042 Ų420%022%0.216CC..EExtended strand (participates in β ladder)trans-103.2131.8175.7-62.473.4000107.5A131 A135 L138 T145 S146 L147 V148 L220 A222I124-A131 HydrophobicContact CG2-CB 3.94Å; I124-A135 HydrophobicContact CB-CB 4.43Å; I124-A135 HydrophobicContact CD1-CB 4.2Å; I124-A135 HydrophobicContact CG1-CB 4.19Å; I124-L138 HydrophobicContact CD1-CD1 3.97Å; I124-L138 HydrophobicContact CG1-CD1 4.44Å; I124-T145 HydrophobicContact CD1-CG2 3.43Å; I124-T145 VanDerWaalsContact CD1-CG2 3.43Å; I124-S146 PolarHBondContact N-O 2.9Å; I124-L147 HydrophobicContact CB-CD1 3.82Å; I124-L147 HydrophobicContact CG2-CD1 3.71Å; I124-L147 WeakPolarHBondContact O-CA 3.31Å; I124-V148 PolarHBondContact O-N 2.85Å; I124-L220 HydrophobicContact CG1-CB 4.38Å; I124-L220 HydrophobicContact CG2-CD2 4.33Å; I124-A222 HydrophobicContact CG2-CB 4.23Å
125V98.8Very high98.4Very high16 Ų1635.6 Ų35.610%0.09719%0.186CC..EExtended strand (participates in β ladder)trans-113.2118.5177.6-172.60000109.5V123 V148 V183 L219 L220 W221 A222 I223V123-V125 HydrophobicContact CG1-CG2 4.33Å; V125-V148 HydrophobicContact CG1-CB 4.5Å; V125-V148 HydrophobicContact CG2-CB 4.29Å; V125-V183 HydrophobicContact CG2-CG2 3.68Å; V125-L219 HydrophobicContact CG2-CD1 3.81Å; V125-L220 PolarHBondContact N-O 3Å; V125-W221 HydrophobicContact CB-CE3 3.71Å; V125-W221 HydrophobicContact CB-CZ3 3.85Å; V125-W221 HydrophobicContact CG1-CE3 4.02Å; V125-W221 HydrophobicContact CG1-CZ3 3.86Å; V125-W221 HydrophobicContact CG2-CE3 3.91Å; V125-W221 HydrophobicContact CG2-CH2 4.47Å; V125-W221 HydrophobicContact CG2-CZ3 3.7Å; V125-A222 CarbonylContact O-C 3.52Å; V125-A222 WeakPolarHBondContact O-CA 3.39Å; V125-A222 PolarHBondContact O-N 3.05Å; V125-I223 HydrophobicContact CB-CG2 4.47Å; V125-I223 HydrophobicContact CG1-CG2 4.07Å; V125-I223 WeakPolarHBondContact O-CG2 3.1Å
126G98.4Very high98.4Very high10 Ų1034.1 Ų34.110%0.10318%0.179CC..  trans141.2163.5-177.800000112.5A131 L147 V148 I149G126-A131 VanDerWaalsContact O-CB 3.27Å; G126-A131 WeakPolarHBondContact O-CB 3.43Å; G126-L147 WeakPolarHBondContact O-CD1 3.42Å; G126-V148 PolarHBondContact N-O 3.39Å; G126-V148 VanDerWaalsContact N-O 3.08Å; G126-I149 WeakPolarHBondContact O-CG2 3.45Å
127A98.3Very high98.4Very high28 Ų2829.4 Ų29.423%0.23116%0.157CC..SBendtrans-131.59.6-175.600000113.4I149 L155A127-I149 HydrophobicContact CB-CB 4.26Å; A127-I149 HydrophobicContact CB-CG2 3.86Å; A127-L155 PolarHBondContact O-N 3.22Å
128G97.9Very high98.5Very high32 Ų3224.7 Ų24.733%0.3313%0.128SC..SBendtrans-90.8-175.8177.500000112.9I130 A131 V132G128-I130 PolarHBondContact O-N 2.73Å; G128-A131 WeakPolarHBondContact O-CB 3.38Å; G128-A131 PolarHBondContact O-N 2.66Å; G128-A131 VanDerWaalsContact O-N 3.12Å; G128-V132 WeakPolarHBondContact O-CG2 3.47Å; G128-V132 PolarHBondContact O-N 3.21Å; G128-V132 VanDerWaalsContact O-N 3.09Å
129Y95.4Very high98.5Very high89 Ų8923.6 Ų23.635%0.34913%0.125SC..Hα-helixtrans-56.7-45.9-177.457.1-92.4000112.7A131 V132 E133Y129-A131 VanDerWaalsContact C-N 3.3Å; Y129-A131 PolarHBondContact O-N 3.08Å; Y129-V132 PolarHBondContact O-N 2.95Å; Y129-E133 WeakPolarHBondContact O-CB 3.42Å; Y129-E133 VanDerWaalsContact O-CG 3.29Å; Y129-E133 WeakPolarHBondContact O-CG 3.42Å; Y129-E133 PolarHBondContact O-N 3.39Å
130I98.3Very high98.4Very high30 Ų3024.5 Ų24.515%0.15413%0.13CC..Hα-helixtrans-57.2-44.3176.9-58.8177000111.2G128 V132 E133 M134 A222G128-I130 PolarHBondContact O-N 2.73Å; I130-V132 PolarHBondContact O-N 3.05Å; I130-E133 PolarHBondContact O-N 3.07Å; I130-M134 HydrophobicContact CG2-CE 4.44Å; I130-M134 HydrophobicContact CG2-CG 3.99Å; I130-M134 WeakPolarHBondContact O-CB 3.28Å; I130-M134 WeakPolarHBondContact O-CG 3.1Å; I130-M134 PolarHBondContact O-N 3.45Å; I130-A222 HydrophobicContact CB-CB 4.27Å; I130-A222 HydrophobicContact CG2-CB 3.93Å
131A98.7Very high98.4Very high0 Ų017.6 Ų17.60%010%0.101CC..Hα-helixtrans-64.8-43-17800000111.5I124 G126 G128 Y129 A135 L147 A222I124-A131 HydrophobicContact CG2-CB 3.94Å; G126-A131 VanDerWaalsContact O-CB 3.27Å; G126-A131 WeakPolarHBondContact O-CB 3.43Å; G128-A131 WeakPolarHBondContact O-CB 3.38Å; G128-A131 PolarHBondContact O-N 2.66Å; G128-A131 VanDerWaalsContact O-N 3.12Å; Y129-A131 VanDerWaalsContact C-N 3.3Å; Y129-A131 PolarHBondContact O-N 3.08Å; A131-A135 WeakPolarHBondContact O-CB 3.16Å; A131-A135 PolarHBondContact O-N 3.46Å; A131-L147 HydrophobicContact CB-CD1 4.15Å; A131-A222 HydrophobicContact CB-CB 3.69Å
132V98.8Very high98.3Very high0 Ų017.9 Ų17.90%012%0.12CC..Hα-helixtrans-64.3-48177.3171.60000111.3G128 Y129 I130 G136 V154 L155 L170 V305G128-V132 WeakPolarHBondContact O-CG2 3.47Å; G128-V132 PolarHBondContact O-N 3.21Å; G128-V132 VanDerWaalsContact O-N 3.09Å; Y129-V132 PolarHBondContact O-N 2.95Å; I130-V132 PolarHBondContact O-N 3.05Å; V132-G136 PolarHBondContact O-N 3.15Å; V132-V154 HydrophobicContact CG2-CB 3.78Å; V132-V154 HydrophobicContact CG2-CG1 4.07Å; V132-V154 HydrophobicContact CG2-CG2 3.89Å; V132-L155 HydrophobicContact CG2-CD2 4.05Å; V132-L155 HydrophobicContact CG2-CG 4.08Å; V132-L170 HydrophobicContact CG1-CD2 4.3Å; V132-L170 HydrophobicContact CG2-CD1 4.29Å; V132-V305 HydrophobicContact CG1-CG1 4.3Å
133E98.9Very high98.3Very high35 Ų3518.1 Ų18.116%0.16412%0.122CC..Hα-helixtrans-64.6-47.9-178.9-70178.7177.800111.8Y129 I130 G136 I137 V305 F306Y129-E133 WeakPolarHBondContact O-CB 3.42Å; Y129-E133 VanDerWaalsContact O-CG 3.29Å; Y129-E133 WeakPolarHBondContact O-CG 3.42Å; Y129-E133 PolarHBondContact O-N 3.39Å; I130-E133 PolarHBondContact O-N 3.07Å; E133-G136 PolarHBondContact O-N 3.32Å; E133-I137 WeakPolarHBondContact O-CB 3.41Å; E133-I137 WeakPolarHBondContact O-CD1 3.37Å; E133-I137 VanDerWaalsContact O-CG1 3.24Å; E133-I137 WeakPolarHBondContact O-CG1 3.26Å; E133-I137 PolarHBondContact O-N 3.05Å; E133-V305 HydrophobicContact CG-CG1 4.02Å; E133-F306 HydrophobicContact CG-CB 4.18Å; E133-F306 PolarHBondContact OE1-N 2.92Å
134M98.8Very high98.3Very high12 Ų1224.1 Ų24.16%0.05915%0.148CC..Hα-helixtrans-67.5-40.8-178.7-63.9-58.9168.300112F112 F113 I130 I137 L138 L220F112-M134 HydrophobicContact CD1-CE 3.96Å; F112-M134 HydrophobicContact CD1-SD 3.51Å; F112-M134 VanDerWaalsContact CD1-SD 3.51Å; F112-M134 HydrophobicContact CD2-SD 3.99Å; F112-M134 HydrophobicContact CE1-CE 4.17Å; F112-M134 HydrophobicContact CE1-SD 3.45Å; F112-M134 WeakPolarHBondContact CE1-SD 3.48Å; F112-M134 HydrophobicContact CE2-SD 3.93Å; F112-M134 HydrophobicContact CG-SD 3.78Å; F112-M134 HydrophobicContact CZ-SD 3.67Å; F113-M134 HydrophobicContact CE2-CE 4.27Å; F113-M134 HydrophobicContact CZ-CE 3.95Å; I130-M134 HydrophobicContact CG2-CE 4.44Å; I130-M134 HydrophobicContact CG2-CG 3.99Å; I130-M134 WeakPolarHBondContact O-CB 3.28Å; I130-M134 WeakPolarHBondContact O-CG 3.1Å; I130-M134 PolarHBondContact O-N 3.45Å; M134-I137 PolarHBondContact O-N 3.29Å; M134-L138 WeakPolarHBondContact O-CB 3.32Å; M134-L138 WeakPolarHBondContact O-CG 3.43Å; M134-L138 PolarHBondContact O-N 2.87Å; M134-L220 HydrophobicContact CB-CD1 4.34Å; M134-L220 HydrophobicContact CG-CD1 4.35Å
135A98.8Very high98.3Very high0 Ų024.4 Ų24.40%015%0.15CC..Hα-helixtrans-63.6-43.317600000111.5I124 A131 A139 T145 L147 I175I124-A135 HydrophobicContact CB-CB 4.43Å; I124-A135 HydrophobicContact CD1-CB 4.2Å; I124-A135 HydrophobicContact CG1-CB 4.19Å; A131-A135 WeakPolarHBondContact O-CB 3.16Å; A131-A135 PolarHBondContact O-N 3.46Å; A135-A139 VanDerWaalsContact O-CB 3.22Å; A135-A139 WeakPolarHBondContact O-CB 3.35Å; A135-A139 PolarHBondContact O-N 2.62Å; A135-T145 HydrophobicContact CB-CG2 4.15Å; A135-L147 HydrophobicContact CB-CD1 4.29Å; A135-I175 HydrophobicContact CB-CD1 4.06Å
136G98.6Very high98.3Very high4 Ų423.7 Ų23.74%0.04115%0.146CC..Hα-helixtrans-58.8-53174.500000112.3V132 E133 L138 A139 T140V132-G136 PolarHBondContact O-N 3.15Å; E133-G136 PolarHBondContact O-N 3.32Å; G136-L138 PolarHBondContact O-N 3.25Å; G136-A139 PolarHBondContact O-N 3.34Å; G136-T140 VanDerWaalsContact O-CB 3.25Å; G136-T140 WeakPolarHBondContact O-CB 3.29Å; G136-T140 PolarHBondContact O-N 3.13Å; G136-T140 PolarHBondContact O-OG1 3.27Å
137I98.8Very high98.3Very high9 Ų923.2 Ų23.25%0.04614%0.141CC..Hα-helixtrans-57.2-48.9179.7-71.1163.5000111.5M1 W2 A5 F112 E133 M134 L141M1-I137 HydrophobicContact CB-CD1 4.01Å; M1-I137 HydrophobicContact CB-CG2 4.08Å; W2-I137 HydrophobicContact CB-CD1 4.31Å; W2-I137 HydrophobicContact CB-CG1 4.49Å; A5-I137 HydrophobicContact CB-CG1 4.37Å; F112-I137 HydrophobicContact CZ-CG2 4.09Å; E133-I137 WeakPolarHBondContact O-CB 3.41Å; E133-I137 WeakPolarHBondContact O-CD1 3.37Å; E133-I137 VanDerWaalsContact O-CG1 3.24Å; E133-I137 WeakPolarHBondContact O-CG1 3.26Å; E133-I137 PolarHBondContact O-N 3.05Å; M134-I137 PolarHBondContact O-N 3.29Å; I137-L141 HydrophobicContact CG2-CD1 3.79Å; I137-L141 WeakPolarHBondContact O-CB 3.32Å; I137-L141 WeakPolarHBondContact O-CG 3.46Å; I137-L141 PolarHBondContact O-N 2.86Å
138L98.8Very high98.3Very high0 Ų022 Ų220%013%0.13CC..Hα-helixtrans-65.1-46.8-177.8-76.5165.1000111.5W28 F112 L118 I124 M134 G136 L141 G142 S143 T145W28-L138 HydrophobicContact CH2-CD2 4.26Å; W28-L138 HydrophobicContact CZ3-CD2 4.37Å; F112-L138 HydrophobicContact CD2-CD1 4.38Å; F112-L138 HydrophobicContact CE2-CD1 4.08Å; F112-L138 HydrophobicContact CE2-CD2 3.94Å; F112-L138 HydrophobicContact CE2-CG 3.89Å; L118-L138 HydrophobicContact CD1-CD2 3.95Å; I124-L138 HydrophobicContact CD1-CD1 3.97Å; I124-L138 HydrophobicContact CG1-CD1 4.44Å; M134-L138 WeakPolarHBondContact O-CB 3.32Å; M134-L138 WeakPolarHBondContact O-CG 3.43Å; M134-L138 PolarHBondContact O-N 2.87Å; G136-L138 PolarHBondContact O-N 3.25Å; L138-L141 PolarHBondContact O-N 3.49Å; L138-G142 PolarHBondContact O-N 3.14Å; L138-S143 VanDerWaalsContact O-CB 3.27Å; L138-S143 WeakPolarHBondContact O-CB 3.46Å; L138-S143 PolarHBondContact O-N 3.2Å; L138-T145 HydrophobicContact CB-CG2 4.49Å
139A98.4Very high98.3Very high19 Ų1920.5 Ų20.516%0.15712%0.115CC..Hα-helixtrans-59.9-51.517900000111.7A135 G136 L141 G142 T145 I175A135-A139 VanDerWaalsContact O-CB 3.22Å; A135-A139 WeakPolarHBondContact O-CB 3.35Å; A135-A139 PolarHBondContact O-N 2.62Å; G136-A139 PolarHBondContact O-N 3.34Å; A139-L141 VanDerWaalsContact C-N 3.28Å; A139-L141 PolarHBondContact O-N 2.99Å; A139-G142 PolarHBondContact O-N 3.36Å; A139-T145 HydrophobicContact CB-CG2 4.48Å; A139-T145 PolarHBondContact N-OG1 2.83Å; A139-I175 HydrophobicContact CB-CD1 4.05Å; A139-I175 HydrophobicContact CB-CG1 3.55Å
140T96.9Very high98.4Very high22 Ų2224.6 Ų24.614%0.13513%0.13CC..Hα-helixtrans-63.2-32.9-178.5-64.40000112.9A5 A8 E9 G136 G142A5-T140 HydrophobicContact CB-CG2 3.72Å; A5-T140 WeakPolarHBondContact O-CG2 3.35Å; A8-T140 HydrophobicContact CB-CG2 4.28Å; E9-T140 HydrophobicContact CG-CG2 3.4Å; E9-T140 VanDerWaalsContact CG-CG2 3.4Å; G136-T140 VanDerWaalsContact O-CB 3.25Å; G136-T140 WeakPolarHBondContact O-CB 3.29Å; G136-T140 PolarHBondContact O-N 3.13Å; G136-T140 PolarHBondContact O-OG1 3.27Å; T140-G142 VanDerWaalsContact C-N 3.28Å; T140-G142 PolarHBondContact O-N 2.82Å
141L97.9Very high98.2Very high10 Ų1027.2 Ų27.25%0.05214%0.141CC..THydrogen-bonded Turntrans-82.1-3.5176.5-66.7176.2000113.6M1 A4 A5 A8 F26 W28 L118 I137 L138 A139M1-L141 HydrophobicContact CE-CD1 4.33Å; A4-L141 HydrophobicContact CB-CD2 4.5Å; A5-L141 HydrophobicContact CB-CD2 4.38Å; A5-L141 HydrophobicContact CB-CG 4.2Å; A8-L141 HydrophobicContact CB-CD2 4.25Å; F26-L141 HydrophobicContact CD1-CB 4.42Å; F26-L141 HydrophobicContact CD2-CD2 4.13Å; F26-L141 HydrophobicContact CE1-CB 4.05Å; F26-L141 HydrophobicContact CE1-CD1 4.29Å; F26-L141 HydrophobicContact CE1-CD2 4.31Å; F26-L141 HydrophobicContact CE1-CG 4.45Å; F26-L141 HydrophobicContact CE2-CD1 4.44Å; F26-L141 HydrophobicContact CE2-CD2 3.83Å; F26-L141 HydrophobicContact CZ-CB 4.37Å; F26-L141 HydrophobicContact CZ-CD1 3.84Å; F26-L141 HydrophobicContact CZ-CD2 3.93Å; F26-L141 HydrophobicContact CZ-CG 4.27Å; W28-L141 HydrophobicContact CE3-CD1 4.31Å; W28-L141 HydrophobicContact CZ3-CD1 3.91Å; L118-L141 HydrophobicContact CD1-CB 4.27Å; L118-L141 HydrophobicContact CD2-CB 4.5Å; L118-L141 WeakPolarHBondContact CD2-O 3.48Å; I137-L141 HydrophobicContact CG2-CD1 3.79Å; I137-L141 WeakPolarHBondContact O-CB 3.32Å; I137-L141 WeakPolarHBondContact O-CG 3.46Å; I137-L141 PolarHBondContact O-N 2.86Å; L138-L141 PolarHBondContact O-N 3.49Å; A139-L141 VanDerWaalsContact C-N 3.28Å; A139-L141 PolarHBondContact O-N 2.99Å
142G97.1Very high98Very high59 Ų5931.3 Ų31.361%0.60817%0.167SC*.THydrogen-bonded Turntrans113.15.3169.500000116.2L138 A139 T140L138-G142 PolarHBondContact O-N 3.14Å; A139-G142 PolarHBondContact O-N 3.36Å; T140-G142 VanDerWaalsContact C-N 3.28Å; T140-G142 PolarHBondContact O-N 2.82Å
143S98.6Very high97.9Very high6 Ų631.6 Ų31.64%0.04217%0.17CC..  trans-73.5133.8171.7165.30000110.4P119 S122 L138 T145P119-S143 WeakPolarHBondContact O-CB 3.34Å; P119-S143 PolarHBondContact O-OG 3.07Å; S122-S143 VanDerWaalsContact CB-OG 3.29Å; S122-S143 WeakPolarHBondContact CB-OG 3.26Å; S122-S143 PolarHBondContact N-OG 2.85Å; S122-S143 PolarHBondContact OG-OG 2.95Å; L138-S143 VanDerWaalsContact O-CB 3.27Å; L138-S143 WeakPolarHBondContact O-CB 3.46Å; L138-S143 PolarHBondContact O-N 3.2Å; S143-T145 WeakPolarHBondContact CB-OG1 3.1Å; S143-T145 PolarHBondContact O-N 3.03Å; S143-T145 PolarHBondContact O-OG1 2.92Å; S143-T145 PolarHBondContact OG-OG1 2.95Å; S143-T145 VanDerWaalsContact OG-OG1 3.09Å
144K98.8Very high97.9Very high126 Ų12630 Ų3055%0.54816%0.162SC..EExtended strand (participates in β ladder)trans-66.7106.9165.8-175.4179.6-177.2177.40108.7K120 R121 S122K120-K144 PolarHBondContact O-N 3.29Å; R121-K144 WeakPolarHBondContact CA-O 3.32Å; R121-K144 HydrophobicContact CG-CB 4.44Å; S122-K144 PolarHBondContact N-O 2.86Å
145T98.9Very high97.9Very high5 Ų529.6 Ų29.63%0.03116%0.16CC..EExtended strand (participates in β ladder)trans-117.1125.9-163.4-59.30000111.7S122 I124 A135 L138 A139 S143 D176S122-T145 WeakPolarHBondContact O-CA 3.48Å; I124-T145 HydrophobicContact CD1-CG2 3.43Å; I124-T145 VanDerWaalsContact CD1-CG2 3.43Å; A135-T145 HydrophobicContact CB-CG2 4.15Å; L138-T145 HydrophobicContact CB-CG2 4.49Å; A139-T145 HydrophobicContact CB-CG2 4.48Å; A139-T145 PolarHBondContact N-OG1 2.83Å; S143-T145 WeakPolarHBondContact CB-OG1 3.1Å; S143-T145 PolarHBondContact O-N 3.03Å; S143-T145 PolarHBondContact O-OG1 2.92Å; S143-T145 PolarHBondContact OG-OG1 2.95Å; S143-T145 VanDerWaalsContact OG-OG1 3.09Å; T145-D176 PolarHBondContact O-N 2.91Å
146S98.9Very high97.8Very high1 Ų136.4 Ų36.41%0.00719%0.186CC..EExtended strand (participates in β ladder)trans-110139.9171.4-590000110.1S122 V123 I124 D176S122-S146 PolarHBondContact O-N 3.49Å; V123-S146 WeakPolarHBondContact CA-O 3.35Å; I124-S146 PolarHBondContact N-O 2.9Å; S146-D176 CarbonylContact C-O 3.53Å; S146-D176 WeakPolarHBondContact CA-O 3.36Å; S146-D176 PolarHBondContact OG-OD2 3.25Å
147L98.9Very high97.6Very high0 Ų043.2 Ų43.20%022%0.221CC..EExtended strand (participates in β ladder)trans-116.4118.5175.4-178.563.1000109.6I124 G126 A131 A135 I149 V154 L170 I175 D176 L177 W178I124-L147 HydrophobicContact CB-CD1 3.82Å; I124-L147 HydrophobicContact CG2-CD1 3.71Å; I124-L147 WeakPolarHBondContact O-CA 3.31Å; G126-L147 WeakPolarHBondContact O-CD1 3.42Å; A131-L147 HydrophobicContact CB-CD1 4.15Å; A135-L147 HydrophobicContact CB-CD1 4.29Å; L147-I149 HydrophobicContact CD2-CG2 4.34Å; L147-I149 HydrophobicContact CG-CG2 4Å; L147-V154 HydrophobicContact CD2-CG1 3.82Å; L147-L170 HydrophobicContact CD2-CD1 3.9Å; L147-I175 HydrophobicContact CB-CG2 3.74Å; L147-D176 PolarHBondContact N-O 3.2Å; L147-L177 HydrophobicContact CB-CD1 3.94Å; L147-L177 HydrophobicContact CD2-CD1 3.88Å; L147-L177 HydrophobicContact CG-CD1 3.98Å; L147-W178 PolarHBondContact O-N 3.39Å
148V98.8Very high97.6Very high2 Ų244.7 Ų44.71%0.01223%0.227CC..EExtended strand (participates in β ladder)trans-100.2117.3-178.1-175.30000109.9V123 I124 V125 G126 W178 I197V123-V148 HydrophobicContact CG1-CG2 3.8Å; I124-V148 PolarHBondContact O-N 2.85Å; V125-V148 HydrophobicContact CG1-CB 4.5Å; V125-V148 HydrophobicContact CG2-CB 4.29Å; G126-V148 PolarHBondContact N-O 3.39Å; G126-V148 VanDerWaalsContact N-O 3.08Å; V148-W178 HydrophobicContact CB-CB 4.46Å; V148-W178 HydrophobicContact CG1-CB 4.48Å; V148-W178 HydrophobicContact CG2-CB 4.14Å; V148-W178 HydrophobicContact CG2-CG 4.41Å; V148-I197 HydrophobicContact CG2-CD1 3.8Å
149I98.4Very high97.5Very high2 Ų244.8 Ų44.81%0.0123%0.228CC..  trans-127141-17863.8166.7000112.1G126 A127 L147 Q151 V154 L177 W178 K179 N180 S181G126-I149 WeakPolarHBondContact O-CG2 3.45Å; A127-I149 HydrophobicContact CB-CB 4.26Å; A127-I149 HydrophobicContact CB-CG2 3.86Å; L147-I149 HydrophobicContact CD2-CG2 4.34Å; L147-I149 HydrophobicContact CG-CG2 4Å; I149-Q151 VanDerWaalsContact CD1-O 3.29Å; I149-Q151 WeakPolarHBondContact CD1-O 3.44Å; I149-Q151 VanDerWaalsContact CG1-O 3.3Å; I149-Q151 WeakPolarHBondContact CG1-O 3.28Å; I149-Q151 PolarHBondContact O-N 3.29Å; I149-V154 HydrophobicContact CD1-CG1 4.48Å; I149-V154 HydrophobicContact CG2-CG1 4.13Å; I149-L177 HydrophobicContact CD1-CD1 3.96Å; I149-L177 HydrophobicContact CD1-CD2 4.43Å; I149-L177 HydrophobicContact CD1-CG 4.39Å; I149-L177 HydrophobicContact CG1-CD1 4.06Å; I149-L177 HydrophobicContact CG2-CD1 4.31Å; I149-W178 PolarHBondContact N-O 2.97Å; I149-K179 HydrophobicContact CD1-CG 4.25Å; I149-K179 HydrophobicContact CG1-CG 4.44Å; I149-K179 CarbonylContact O-C 3.55Å; I149-N180 PolarHBondContact O-N 2.8Å; I149-S181 CarbonylContact C-O 3.35Å; I149-S181 PolarHBondContact O-N 3.18Å
150R96.2Very high97.5Very high174 Ų17446.7 Ų46.766%0.65724%0.244SC*.SBendtrans-70-13.2-177.5-67.4177.464.4-175.1-0.1114.4Q182R150-Q182 HydrophobicContact CG-CG 3.8Å
151Q94.8Very high97.6Very high85 Ų8548.2 Ų48.240%0.39725%0.248SC..SBendtrans-136.9-163.6-170.7-62.5-63.6-18.400109.5I149 N180I149-Q151 VanDerWaalsContact CD1-O 3.29Å; I149-Q151 WeakPolarHBondContact CD1-O 3.44Å; I149-Q151 VanDerWaalsContact CG1-O 3.3Å; I149-Q151 WeakPolarHBondContact CG1-O 3.28Å; I149-Q151 PolarHBondContact O-N 3.29Å; Q151-N180 WeakPolarHBondContact CA-OD1 3.38Å; Q151-N180 PolarHBondContact O-N 3.32Å
152T94.4Very high97.6Very high87 Ų8747.7 Ų47.753%0.53425%0.246SC..SBendtrans-88.9-14.8-173.5540000115.1K179T152-K179 WeakPolarHBondContact O-CD 3.49Å; T152-K179 VanDerWaalsContact O-CE 3.26Å; T152-K179 WeakPolarHBondContact O-CE 3.45Å
153G96.6Very high97.7Very high6 Ų645.8 Ų45.86%0.06222%0.223CC..  trans-152.4164.4-178.300000114.3R156 T167G153-R156 WeakPolarHBondContact O-CG 3.44Å; G153-T167 VanDerWaalsContact CA-OG1 3.31Å; G153-T167 WeakPolarHBondContact CA-OG1 3.27Å
154V98.6Very high97.7Very high0 Ų048.4 Ų48.40%025%0.245CC..SBendtrans-90165.2176.7-63.10000111.5V132 L147 I149 R156 S163 C166 T167 L170V132-V154 HydrophobicContact CG2-CB 3.78Å; V132-V154 HydrophobicContact CG2-CG1 4.07Å; V132-V154 HydrophobicContact CG2-CG2 3.89Å; L147-V154 HydrophobicContact CD2-CG1 3.82Å; I149-V154 HydrophobicContact CD1-CG1 4.48Å; I149-V154 HydrophobicContact CG2-CG1 4.13Å; V154-R156 VanDerWaalsContact C-N 3.26Å; V154-R156 PolarHBondContact O-N 3.14Å; V154-S163 WeakPolarHBondContact O-CB 3.23Å; V154-S163 PolarHBondContact O-OG 2.88Å; V154-C166 HydrophobicContact CG2-CB 4.06Å; V154-T167 PolarHBondContact N-OG1 3.41Å; V154-T167 VanDerWaalsContact N-OG1 3.1Å; V154-L170 HydrophobicContact CB-CD1 4.45Å; V154-L170 HydrophobicContact CG1-CD1 3.93Å; V154-L170 HydrophobicContact CG2-CD1 3.76Å
155L98.3Very high97.7Very high5 Ų543.2 Ų43.23%0.02622%0.223CC..  trans54.339.4174.7-53.8-178.6000113.3A127 V132 N157 F158 C166 V305 I311A127-L155 PolarHBondContact O-N 3.22Å; V132-L155 HydrophobicContact CG2-CD2 4.05Å; V132-L155 HydrophobicContact CG2-CG 4.08Å; L155-N157 PolarHBondContact O-N 2.8Å; L155-F158 HydrophobicContact CB-CB 4.25Å; L155-F158 HydrophobicContact CB-CD2 3.8Å; L155-F158 HydrophobicContact CB-CE2 4.38Å; L155-F158 HydrophobicContact CB-CG 4.03Å; L155-F158 HydrophobicContact CD2-CD2 4.42Å; L155-F158 HydrophobicContact CD2-CE2 4.16Å; L155-F158 VanDerWaalsContact O-CB 3.27Å; L155-F158 WeakPolarHBondContact O-CB 3.45Å; L155-F158 PolarHBondContact O-N 2.89Å; L155-C166 HydrophobicContact CD1-CB 4.3Å; L155-V305 HydrophobicContact CD1-CG1 4.47Å; L155-V305 HydrophobicContact CD1-CG2 4.45Å; L155-I311 HydrophobicContact CD1-CD1 3.46Å; L155-I311 VanDerWaalsContact CD1-CD1 3.46Å
156R96.6Very high97.7Very high143 Ų14343 Ų4354%0.5422%0.222SC..THydrogen-bonded Turntrans-61.6-13.2-173.8-61.6-174.4-62.8119.43.8115.8G153 V154G153-R156 WeakPolarHBondContact O-CG 3.44Å; V154-R156 VanDerWaalsContact C-N 3.26Å; V154-R156 PolarHBondContact O-N 3.14Å
157N94.5Very high97.7Very high146 Ų14643.3 Ų43.378%0.78122%0.224SC*.THydrogen-bonded Turntrans-92.2-0174.4-61.8-9.1000112.4L155L155-N157 PolarHBondContact O-N 2.8Å
158F98.4Very high97.7Very high40 Ų4049.1 Ų49.118%0.17525%0.249CC..SBendtrans-91.7171.5171.6-73.2-124.2000109L155 A160 I162 T303 V305 I311 T313L155-F158 HydrophobicContact CB-CB 4.25Å; L155-F158 HydrophobicContact CB-CD2 3.8Å; L155-F158 HydrophobicContact CB-CE2 4.38Å; L155-F158 HydrophobicContact CB-CG 4.03Å; L155-F158 HydrophobicContact CD2-CD2 4.42Å; L155-F158 HydrophobicContact CD2-CE2 4.16Å; L155-F158 VanDerWaalsContact O-CB 3.27Å; L155-F158 WeakPolarHBondContact O-CB 3.45Å; L155-F158 PolarHBondContact O-N 2.89Å; F158-A160 PolarHBondContact O-N 3.25Å; F158-I162 HydrophobicContact CB-CB 4.48Å; F158-I162 HydrophobicContact CB-CG2 4.43Å; F158-I162 HydrophobicContact CD1-CG2 4.25Å; F158-T303 HydrophobicContact CE1-CG2 4.25Å; F158-T303 HydrophobicContact CZ-CG2 4.29Å; F158-V305 HydrophobicContact CE1-CG2 3.76Å; F158-V305 HydrophobicContact CZ-CG2 3.55Å; F158-I311 HydrophobicContact CD1-CG2 4.35Å; F158-I311 HydrophobicContact CE1-CG2 4.26Å; F158-T313 HydrophobicContact CD1-CG2 3.77Å; F158-T313 HydrophobicContact CE1-CG2 3.56Å
159D98.7Very high97.6Very high3 Ų349.2 Ų49.22%0.01625%0.249CC..  trans-54.8136.6173.2-175.6-83.3000110.7F161 I162 S163 T317 E318 K354 H368D159-F161 PolarHBondContact O-N 3.34Å; D159-F161 WeakPolarHBondContact OD1-CB 3.04Å; D159-F161 PolarHBondContact OD1-N 3.44Å; D159-I162 HydrophobicContact CB-CG1 4.38Å; D159-I162 WeakPolarHBondContact O-CA 3.46Å; D159-I162 WeakPolarHBondContact O-CB 3.49Å; D159-I162 PolarHBondContact O-N 3.38Å; D159-S163 PolarHBondContact O-N 3.39Å; D159-T317 HydrophobicContact CB-CG2 3.95Å; D159-T317 VanDerWaalsContact N-CG2 3.32Å; D159-E318 WeakPolarHBondContact OD2-CB 3.42Å; D159-E318 PolarHBondContact OD2-N 3.32Å; D159-K354 VanDerWaalsContact CG-NZ 3.31Å; D159-K354 WeakPolarHBondContact OD1-CE 3.07Å; D159-K354 IonicContact OD1-NZ 2.62Å; D159-K354 PolarHBondContact OD1-NZ 3.32Å; D159-K354 IonicContact OD2-NZ 3.88Å; D159-K354 PolarHBondContact OD2-NZ 3.4Å; D159-K354 VanDerWaalsContact OD2-NZ 3.13Å; D159-H368 HydrophobicContact CB-CB 4.35Å; D159-H368 IonicContact OD2-CD2 3.77Å; D159-H368 IonicContact OD2-NE2 2.82Å
160A98.3Very high97.6Very high59 Ų5949.5 Ų49.549%0.48825%0.251SS..Hα-helixtrans-55.9-30.4-174.800000113F158 A164F158-A160 PolarHBondContact O-N 3.25Å; A160-A164 VanDerWaalsContact O-CB 3.27Å; A160-A164 WeakPolarHBondContact O-CB 3.4Å; A160-A164 PolarHBondContact O-N 2.72Å
161F98.2Very high97.7Very high53 Ų5345.4 Ų45.423%0.23224%0.239CC..Hα-helixtrans-65.9-38.9176.6-169.8-134.4000112D159 N165 K334 I352 K354D159-F161 PolarHBondContact O-N 3.34Å; D159-F161 WeakPolarHBondContact OD1-CB 3.04Å; D159-F161 PolarHBondContact OD1-N 3.44Å; F161-N165 WeakPolarHBondContact O-CB 3.49Å; F161-N165 PolarHBondContact O-N 3.01Å; F161-N165 VanDerWaalsContact O-N 3.16Å; F161-K334 HydrophobicContact CE1-CB 4.5Å; F161-I352 HydrophobicContact CD1-CB 4.48Å; F161-I352 HydrophobicContact CD1-CD1 3.71Å; F161-I352 HydrophobicContact CD2-CD1 4.35Å; F161-I352 HydrophobicContact CE1-CB 3.65Å; F161-I352 HydrophobicContact CE1-CD1 3.73Å; F161-I352 HydrophobicContact CE1-CG1 4.22Å; F161-I352 HydrophobicContact CE1-CG2 4.4Å; F161-I352 HydrophobicContact CE2-CD1 4.33Å; F161-I352 HydrophobicContact CG-CD1 4.04Å; F161-I352 HydrophobicContact CZ-CB 3.7Å; F161-I352 HydrophobicContact CZ-CD1 4.03Å; F161-I352 HydrophobicContact CZ-CG2 3.94Å; F161-I352 WeakPolarHBondContact O-CD1 3.3Å; F161-K354 HydrophobicContact CD1-CB 3.95Å; F161-K354 HydrophobicContact CE1-CB 4.41Å
162I98.7Very high97.8Very high0 Ų045.9 Ų45.90%025%0.245CC..Hα-helixtrans-72-47.8175.3-59.3-56.5000111.1F158 D159 A164 N165 C166 I311 I352 H368 Q370F158-I162 HydrophobicContact CB-CB 4.48Å; F158-I162 HydrophobicContact CB-CG2 4.43Å; F158-I162 HydrophobicContact CD1-CG2 4.25Å; D159-I162 HydrophobicContact CB-CG1 4.38Å; D159-I162 WeakPolarHBondContact O-CA 3.46Å; D159-I162 WeakPolarHBondContact O-CB 3.49Å; D159-I162 PolarHBondContact O-N 3.38Å; I162-A164 VanDerWaalsContact C-N 3.3Å; I162-A164 PolarHBondContact O-N 2.89Å; I162-N165 PolarHBondContact O-N 2.66Å; I162-C166 VanDerWaalsContact O-CB 3.28Å; I162-C166 WeakPolarHBondContact O-CB 3.49Å; I162-C166 PolarHBondContact O-N 3.28Å; I162-I311 HydrophobicContact CG2-CB 4.48Å; I162-I311 HydrophobicContact CG2-CD1 3.84Å; I162-I311 HydrophobicContact CG2-CG1 4.05Å; I162-I311 HydrophobicContact CG2-CG2 3.58Å; I162-I352 HydrophobicContact CD1-CD1 3.89Å; I162-H368 HydrophobicContact CD1-CB 3.9Å; I162-H368 HydrophobicContact CG1-CB 3.69Å; I162-Q370 HydrophobicContact CD1-CB 4.34Å
163S98.6Very high97.8Very high18 Ų1843.8 Ų43.813%0.12623%0.23CC..Hα-helixtrans-55.4-46.2177.7160.30000111.4V154 D159 T167V154-S163 WeakPolarHBondContact O-CB 3.23Å; V154-S163 PolarHBondContact O-OG 2.88Å; D159-S163 PolarHBondContact O-N 3.39Å; S163-T167 WeakPolarHBondContact O-CB 3.26Å; S163-T167 PolarHBondContact O-N 2.75Å; S163-T167 VanDerWaalsContact O-N 3.07Å; S163-T167 PolarHBondContact O-OG1 2.79Å
164A98.5Very high97.8Very high61 Ų6146.5 Ų46.550%0.50426%0.258SS..Hα-helixtrans-64.2-47.2178.500000112.4A160 I162 T167 K168A160-A164 VanDerWaalsContact O-CB 3.27Å; A160-A164 WeakPolarHBondContact O-CB 3.4Å; A160-A164 PolarHBondContact O-N 2.72Å; I162-A164 VanDerWaalsContact C-N 3.3Å; I162-A164 PolarHBondContact O-N 2.89Å; A164-T167 PolarHBondContact O-N 2.86Å; A164-K168 PolarHBondContact O-N 3.02Å; A164-K168 VanDerWaalsContact O-N 3.13Å
165N98.7Very high97.8Very high17 Ų1746.8 Ų46.89%0.09126%0.26CS..Hα-helixtrans-67.5-44.2-179.2-169.276.5000112.1F161 I162 T167 K168 E169 I352 Q370F161-N165 WeakPolarHBondContact O-CB 3.49Å; F161-N165 PolarHBondContact O-N 3.01Å; F161-N165 VanDerWaalsContact O-N 3.16Å; I162-N165 PolarHBondContact O-N 2.66Å; N165-T167 VanDerWaalsContact C-N 3.29Å; N165-T167 PolarHBondContact O-N 3.24Å; N165-K168 WeakPolarHBondContact O-CB 3.43Å; N165-K168 PolarHBondContact O-N 2.82Å; N165-K168 VanDerWaalsContact O-N 3.08Å; N165-E169 WeakPolarHBondContact O-CG 3.46Å; N165-E169 PolarHBondContact O-N 3.37Å; N165-I352 HydrophobicContact CB-CD1 3.33Å; N165-I352 HydrophobicContact CB-CG1 4.08Å; N165-Q370 VanDerWaalsContact ND2-CD 3.3Å; N165-Q370 PolarHBondContact ND2-OE1 3.3Å
166C98.8Very high97.8Very high1 Ų150.1 Ų50.11%0.00728%0.277CS..Hα-helixtrans-61-40.9177.7-175.30000111.6V154 L155 I162 K168 E169 L170 I311 Q370V154-C166 HydrophobicContact CG2-CB 4.06Å; L155-C166 HydrophobicContact CD1-CB 4.3Å; I162-C166 VanDerWaalsContact O-CB 3.28Å; I162-C166 WeakPolarHBondContact O-CB 3.49Å; I162-C166 PolarHBondContact O-N 3.28Å; C166-K168 VanDerWaalsContact C-N 3.29Å; C166-K168 PolarHBondContact O-N 2.97Å; C166-E169 PolarHBondContact O-N 3.5Å; C166-L170 VanDerWaalsContact O-CG 3.26Å; C166-L170 WeakPolarHBondContact O-CG 3.4Å; C166-L170 PolarHBondContact O-N 3.03Å; C166-I311 HydrophobicContact CB-CD1 3.86Å; C166-Q370 VanDerWaalsContact CA-OE1 3.31Å
167T98.7Very high97.9Very high8 Ų844.1 Ų44.15%0.04926%0.256CS..Hα-helixtrans-60.2-42.2175.8-580000111.1G153 V154 S163 A164 N165 Q171 L177G153-T167 VanDerWaalsContact CA-OG1 3.31Å; G153-T167 WeakPolarHBondContact CA-OG1 3.27Å; V154-T167 PolarHBondContact N-OG1 3.41Å; V154-T167 VanDerWaalsContact N-OG1 3.1Å; S163-T167 WeakPolarHBondContact O-CB 3.26Å; S163-T167 PolarHBondContact O-N 2.75Å; S163-T167 VanDerWaalsContact O-N 3.07Å; S163-T167 PolarHBondContact O-OG1 2.79Å; A164-T167 PolarHBondContact O-N 2.86Å; N165-T167 VanDerWaalsContact C-N 3.29Å; N165-T167 PolarHBondContact O-N 3.24Å; T167-Q171 PolarHBondContact O-N 3.13Å; T167-L177 HydrophobicContact CG2-CD2 3.48Å; T167-L177 VanDerWaalsContact CG2-CD2 3.48Å
168K98.3Very high98Very high122 Ų12239.6 Ų39.653%0.5323%0.228SC..Hα-helixtrans-67-46.1177.5-173.4-175.3178.1-172.40112A164 N165 C166 L170 Q171 N172A164-K168 PolarHBondContact O-N 3.02Å; A164-K168 VanDerWaalsContact O-N 3.13Å; N165-K168 WeakPolarHBondContact O-CB 3.43Å; N165-K168 PolarHBondContact O-N 2.82Å; N165-K168 VanDerWaalsContact O-N 3.08Å; C166-K168 VanDerWaalsContact C-N 3.29Å; C166-K168 PolarHBondContact O-N 2.97Å; K168-L170 VanDerWaalsContact C-N 3.34Å; K168-L170 PolarHBondContact O-N 2.78Å; K168-Q171 PolarHBondContact O-N 3.2Å; K168-Q171 VanDerWaalsContact O-N 3.14Å; K168-N172 PolarHBondContact O-N 2.94Å
169E98.4Very high98Very high3 Ų341.2 Ų41.21%0.01424%0.235CC..Hα-helixtrans-65.3-35.4-178.9-71.4-59.6103.900112.5N165 C166 Q171 N172 N173 S349 P350N165-E169 WeakPolarHBondContact O-CG 3.46Å; N165-E169 PolarHBondContact O-N 3.37Å; C166-E169 PolarHBondContact O-N 3.5Å; E169-Q171 VanDerWaalsContact C-N 3.31Å; E169-Q171 PolarHBondContact O-N 2.98Å; E169-N172 PolarHBondContact O-N 3.04Å; E169-N172 PolarHBondContact OE1-ND2 3.15Å; E169-N173 WeakPolarHBondContact O-CB 3.42Å; E169-N173 VanDerWaalsContact O-CG 3.31Å; E169-N173 PolarHBondContact O-N 3.28Å; E169-N173 PolarHBondContact O-ND2 3.14Å; E169-N173 VanDerWaalsContact O-ND2 3.16Å; E169-S349 PolarHBondContact OE2-OG 2.86Å; E169-P350 VanDerWaalsContact CD-CD 3.47Å; E169-P350 WeakPolarHBondContact OE1-CD 3.44Å; E169-P350 WeakPolarHBondContact OE2-CD 3.26Å
170L98.4Very high97.9Very high9 Ų942.6 Ų42.65%0.04724%0.242CC..Hα-helixtrans-57.1-45.7171.5-71.5166.6000111.5V132 L147 V154 C166 K168 N173 I175V132-L170 HydrophobicContact CG1-CD2 4.3Å; V132-L170 HydrophobicContact CG2-CD1 4.29Å; L147-L170 HydrophobicContact CD2-CD1 3.9Å; V154-L170 HydrophobicContact CB-CD1 4.45Å; V154-L170 HydrophobicContact CG1-CD1 3.93Å; V154-L170 HydrophobicContact CG2-CD1 3.76Å; C166-L170 VanDerWaalsContact O-CG 3.26Å; C166-L170 WeakPolarHBondContact O-CG 3.4Å; C166-L170 PolarHBondContact O-N 3.03Å; K168-L170 VanDerWaalsContact C-N 3.34Å; K168-L170 PolarHBondContact O-N 2.78Å; L170-N173 PolarHBondContact O-N 3.29Å; L170-I175 HydrophobicContact CB-CD1 4.18Å; L170-I175 HydrophobicContact CD2-CD1 3.4Å; L170-I175 VanDerWaalsContact CD2-CD1 3.4Å; L170-I175 HydrophobicContact CG-CD1 4.39Å; L170-I175 VanDerWaalsContact O-CB 3.29Å; L170-I175 WeakPolarHBondContact O-CB 3.37Å; L170-I175 PolarHBondContact O-N 2.84Å; L170-I175 VanDerWaalsContact O-N 3.12Å
171Q97.5Very high97.8Very high87 Ų8739.8 Ų39.841%0.40722%0.219SC..Hα-helixtrans-67.9-40.5178-62.3-175.4-95.600112T167 K168 E169 N173 G174 L177T167-Q171 PolarHBondContact O-N 3.13Å; K168-Q171 PolarHBondContact O-N 3.2Å; K168-Q171 VanDerWaalsContact O-N 3.14Å; E169-Q171 VanDerWaalsContact C-N 3.31Å; E169-Q171 PolarHBondContact O-N 2.98Å; Q171-N173 PolarHBondContact O-N 2.74Å; Q171-G174 PolarHBondContact O-N 3.32Å; Q171-L177 HydrophobicContact CG-CB 3.94Å; Q171-L177 HydrophobicContact CG-CD2 4.02Å
172N96.4Very high97.8Very high96 Ų9641 Ų4151%0.51323%0.225SC..Hα-helixtrans-61.4-32.4175.6-69.8-16.6000112K168 E169 G174K168-N172 PolarHBondContact O-N 2.94Å; E169-N172 PolarHBondContact O-N 3.04Å; E169-N172 PolarHBondContact OE1-ND2 3.15Å; N172-G174 PolarHBondContact O-N 2.92Å
173N95Very high97.8Very high43 Ų4341.6 Ų41.623%0.2323%0.229CC..THydrogen-bonded Turntrans-84.418175.5-67.8-32.1000113.5E169 L170 Q171 I175 H308E169-N173 WeakPolarHBondContact O-CB 3.42Å; E169-N173 VanDerWaalsContact O-CG 3.31Å; E169-N173 PolarHBondContact O-N 3.28Å; E169-N173 PolarHBondContact O-ND2 3.14Å; E169-N173 VanDerWaalsContact O-ND2 3.16Å; L170-N173 PolarHBondContact O-N 3.29Å; Q171-N173 PolarHBondContact O-N 2.74Å; N173-I175 VanDerWaalsContact C-N 3.35Å; N173-I175 PolarHBondContact O-N 3.07Å; N173-H308 PolarHBondContact ND2-O 2.88Å
174G95.9Very high97.7Very high62 Ų6245.9 Ų45.964%0.63925%0.246SC*.THydrogen-bonded Turntrans79.311.417100000115.3Q171 N172Q171-G174 PolarHBondContact O-N 3.32Å; N172-G174 PolarHBondContact O-N 2.92Å
175I98.6Very high97.7Very high7 Ų744.6 Ų44.64%0.03623%0.233CC..  trans-78.2126.7174-63.5164.2000109.4A135 A139 L147 L170 N173 L177A135-I175 HydrophobicContact CB-CD1 4.06Å; A139-I175 HydrophobicContact CB-CD1 4.05Å; A139-I175 HydrophobicContact CB-CG1 3.55Å; L147-I175 HydrophobicContact CB-CG2 3.74Å; L170-I175 HydrophobicContact CB-CD1 4.18Å; L170-I175 HydrophobicContact CD2-CD1 3.4Å; L170-I175 VanDerWaalsContact CD2-CD1 3.4Å; L170-I175 HydrophobicContact CG-CD1 4.39Å; L170-I175 VanDerWaalsContact O-CB 3.29Å; L170-I175 WeakPolarHBondContact O-CB 3.37Å; L170-I175 PolarHBondContact O-N 2.84Å; L170-I175 VanDerWaalsContact O-N 3.12Å; N173-I175 VanDerWaalsContact C-N 3.35Å; N173-I175 PolarHBondContact O-N 3.07Å; I175-L177 PolarHBondContact O-N 3.43Å
176D98.4Very high97.7Very high74 Ų7444.2 Ų44.240%0.39623%0.231SC..EExtended strand (participates in β ladder)trans-78.6105.9175.6178.627000110.2T145 S146 L147 W178T145-D176 PolarHBondContact O-N 2.91Å; S146-D176 CarbonylContact C-O 3.53Å; S146-D176 WeakPolarHBondContact CA-O 3.36Å; S146-D176 PolarHBondContact OG-OD2 3.25Å; L147-D176 PolarHBondContact N-O 3.2Å; D176-W178 PolarHBondContact OD2-NE1 2.95Å
177L98.2Very high97.7Very high18 Ų1846.3 Ų46.39%0.09425%0.246CC..EExtended strand (participates in β ladder)trans-96.4109.4-170.7-173.964.2000112L147 I149 T167 Q171 I175 K179L147-L177 HydrophobicContact CB-CD1 3.94Å; L147-L177 HydrophobicContact CD2-CD1 3.88Å; L147-L177 HydrophobicContact CG-CD1 3.98Å; I149-L177 HydrophobicContact CD1-CD1 3.96Å; I149-L177 HydrophobicContact CD1-CD2 4.43Å; I149-L177 HydrophobicContact CD1-CG 4.39Å; I149-L177 HydrophobicContact CG1-CD1 4.06Å; I149-L177 HydrophobicContact CG2-CD1 4.31Å; T167-L177 HydrophobicContact CG2-CD2 3.48Å; T167-L177 VanDerWaalsContact CG2-CD2 3.48Å; Q171-L177 HydrophobicContact CG-CB 3.94Å; Q171-L177 HydrophobicContact CG-CD2 4.02Å; I175-L177 PolarHBondContact O-N 3.43Å; L177-K179 HydrophobicContact CD2-CD 4.41Å; L177-K179 HydrophobicContact CD2-CG 4.14Å; L177-K179 HydrophobicContact CG-CG 4.03Å; L177-K179 PolarHBondContact O-N 3.13Å
178W98.1Very high97.7Very high51 Ų5154 Ų5419%0.19328%0.278CS..EExtended strand (participates in β ladder)trans-89.793.2177.1-67.969.5000109.8L147 V148 I149 D176 S181 I197 I213L147-W178 PolarHBondContact O-N 3.39Å; V148-W178 HydrophobicContact CB-CB 4.46Å; V148-W178 HydrophobicContact CG1-CB 4.48Å; V148-W178 HydrophobicContact CG2-CB 4.14Å; V148-W178 HydrophobicContact CG2-CG 4.41Å; I149-W178 PolarHBondContact N-O 2.97Å; D176-W178 PolarHBondContact OD2-NE1 2.95Å; W178-S181 WeakPolarHBondContact O-CB 3.45Å; W178-I197 HydrophobicContact CD2-CD1 3.96Å; W178-I197 HydrophobicContact CE3-CB 4.45Å; W178-I197 HydrophobicContact CE3-CD1 3.93Å; W178-I197 HydrophobicContact CE3-CG2 3.97Å; W178-I197 HydrophobicContact CG-CD1 4.4Å; W178-I197 HydrophobicContact CZ3-CB 4.49Å; W178-I197 HydrophobicContact CZ3-CD1 4.3Å; W178-I197 HydrophobicContact CZ3-CG2 4.4Å; W178-I213 HydrophobicContact CD2-CD1 4.42Å; W178-I213 HydrophobicContact CH2-CG1 4.35Å; W178-I213 HydrophobicContact CZ2-CD1 3.88Å; W178-I213 HydrophobicContact CZ2-CG1 3.86Å
179K97.1Very high97.7Very high74 Ų7450.6 Ų50.632%0.32227%0.268SS..THydrogen-bonded Turntrans-78.4152.9179.2-61.7-177.9-179.4-179.10111.6I149 T152 L177 S181I149-K179 HydrophobicContact CD1-CG 4.25Å; I149-K179 HydrophobicContact CG1-CG 4.44Å; I149-K179 CarbonylContact O-C 3.55Å; T152-K179 WeakPolarHBondContact O-CD 3.49Å; T152-K179 VanDerWaalsContact O-CE 3.26Å; T152-K179 WeakPolarHBondContact O-CE 3.45Å; L177-K179 HydrophobicContact CD2-CD 4.41Å; L177-K179 HydrophobicContact CD2-CG 4.14Å; L177-K179 HydrophobicContact CG-CG 4.03Å; L177-K179 PolarHBondContact O-N 3.13Å; K179-S181 PolarHBondContact O-N 3.3Å; K179-S181 PolarHBondContact O-OG 3.4Å
180N96.6Very high97.5Very high31 Ų3159 Ų5917%0.16631%0.313CS..THydrogen-bonded Turntrans49.634.3178.8-52-49.9000113.2I149 Q151 K200 P202I149-N180 PolarHBondContact O-N 2.8Å; Q151-N180 WeakPolarHBondContact CA-OD1 3.38Å; Q151-N180 PolarHBondContact O-N 3.32Å; N180-K200 VanDerWaalsContact CB-O 3.26Å; N180-K200 WeakPolarHBondContact CB-O 3.24Å; N180-K200 PolarHBondContact O-N 3.17Å; N180-P202 WeakPolarHBondContact ND2-CG 3.42Å
181S97.6Very high97.3Very high1 Ų165.3 Ų65.31%0.00734%0.34CS..EExtended strand (participates in β ladder)trans-120.9146.7-167.3-67.60000111.4I149 W178 K179 V198 T199I149-S181 CarbonylContact C-O 3.35Å; I149-S181 PolarHBondContact O-N 3.18Å; W178-S181 WeakPolarHBondContact O-CB 3.45Å; K179-S181 PolarHBondContact O-N 3.3Å; K179-S181 PolarHBondContact O-OG 3.4Å; S181-V198 CarbonylContact C-O 3.54Å; S181-V198 VanDerWaalsContact CA-O 3.3Å; S181-V198 WeakPolarHBondContact CA-O 3.18Å; S181-T199 PolarHBondContact OG-OG1 3.38Å; S181-T199 VanDerWaalsContact OG-OG1 3.11Å
182Q97.4Very high97.2Very high77 Ų7762.3 Ų62.336%0.3633%0.333SS..EExtended strand (participates in β ladder)trans-139.5144.9176.7-73175.8105.200110R150 I197 V198R150-Q182 HydrophobicContact CG-CG 3.8Å; Q182-I197 CarbonylContact O-C 3.58Å; Q182-I197 WeakPolarHBondContact O-CA 3.18Å; Q182-V198 PolarHBondContact N-O 3.28Å; Q182-V198 PolarHBondContact O-N 3.17Å
183V98.3Very high97.4Very high14 Ų1458.6 Ų58.69%0.08531%0.313CS..EExtended strand (participates in β ladder)trans-71.8130.1170.6-1790000108.5V100 V125 V186 V195 W221V100-V183 HydrophobicContact CG1-CG1 3.91Å; V125-V183 HydrophobicContact CG2-CG2 3.68Å; V183-V186 HydrophobicContact CG1-CG2 3.83Å; V183-V195 HydrophobicContact CB-CG1 4.43Å; V183-V195 HydrophobicContact CG1-CG1 3.79Å; V183-V195 HydrophobicContact CG2-CG1 3.81Å; V183-W221 HydrophobicContact CB-CH2 3.88Å; V183-W221 HydrophobicContact CB-CZ3 4.23Å; V183-W221 HydrophobicContact CG1-CH2 3.93Å; V183-W221 HydrophobicContact CG2-CH2 4.03Å; V183-W221 HydrophobicContact CG2-CZ3 4.12Å
184K98Very high97.5Very high108 Ų10859.2 Ų59.247%0.4731%0.314SS..EExtended strand (participates in β ladder)trans-97.6-40.4177.4-177.3179.2-175.8172.70112T196 V198K184-T196 HydrophobicContact CB-CG2 4.19Å; K184-T196 HydrophobicContact CD-CG2 4.44Å; K184-T196 PolarHBondContact N-O 3.2Å; K184-V198 HydrophobicContact CB-CG2 3.9Å; K184-V198 HydrophobicContact CD-CG2 3.69Å; K184-V198 HydrophobicContact CG-CG2 4.23Å
185S98.6Very high97.7Very high34 Ų3456.2 Ų56.224%0.23828%0.284CS..EExtended strand (participates in β ladder)trans-161.8159.2178.655.20000110.2P101 T196P101-S185 CarbonylContact O-C 3.49Å; P101-S185 WeakPolarHBondContact O-CA 3.31Å; S185-T196 PolarHBondContact O-N 3.46Å; S185-T196 WeakPolarHBondContact OG-CB 3.32Å; S185-T196 PolarHBondContact OG-OG1 2.96Å
186V98.8Very high97.7Very high9 Ų956.8 Ų56.86%0.05529%0.287CS..EExtended strand (participates in β ladder)trans-130.1131.7176.5-171.90000107.5P101 G102 L105 V183 L193 E194 V195 L219 W221P101-V186 PolarHBondContact O-N 3.03Å; G102-V186 WeakPolarHBondContact CA-O 3.4Å; G102-V186 WeakPolarHBondContact O-CB 3.43Å; L105-V186 HydrophobicContact CB-CG1 4.27Å; L105-V186 HydrophobicContact CD1-CG1 4.14Å; V183-V186 HydrophobicContact CG1-CG2 3.83Å; V186-L193 HydrophobicContact CG1-CB 4.15Å; V186-L193 HydrophobicContact CG1-CD1 4.2Å; V186-L193 HydrophobicContact CG1-CD2 4.44Å; V186-E194 WeakPolarHBondContact CA-O 3.3Å; V186-V195 HydrophobicContact CG1-CG2 4.46Å; V186-L219 HydrophobicContact CB-CD2 4.34Å; V186-L219 HydrophobicContact CG1-CD2 3.94Å; V186-L219 HydrophobicContact CG2-CD2 3.46Å; V186-L219 VanDerWaalsContact CG2-CD2 3.46Å; V186-W221 HydrophobicContact CG2-CZ2 4.41Å
187S98.4Very high97.7Very high45 Ų4553.3 Ų53.332%0.31527%0.269SS..EExtended strand (participates in β ladder)trans-124.1148.1175.5700000110L193 E194S187-L193 WeakPolarHBondContact O-CA 3.38Å; S187-E194 PolarHBondContact N-O 3Å; S187-E194 PolarHBondContact O-N 2.97Å; S187-E194 PolarHBondContact OG-OE1 3.23Å
188K98.1Very high97.6Very high168 Ų16853.1 Ų53.173%0.7327%0.268SS*.EExtended strand (participates in β ladder)trans-87.1135.3172.2-170.6173.4-177.5176.30109.2L105 L193L105-K188 HydrophobicContact CD1-CB 4.25Å; K188-L193 HydrophobicContact CB-CD2 4.46Å
189T97.4Very high97.5Very high52 Ų5252.2 Ų52.232%0.31927%0.268SS..EExtended strand (participates in β ladder)trans-125.2173.1176.974.20000110K191 G192 E194T189-K191 PolarHBondContact O-N 3.18Å; T189-K191 PolarHBondContact OG1-N 3.37Å; T189-G192 WeakPolarHBondContact CA-O 3.34Å; T189-G192 PolarHBondContact N-O 2.94Å; T189-G192 PolarHBondContact O-N 3.19Å; T189-G192 PolarHBondContact OG1-N 3.44Å; T189-G192 PolarHBondContact OG1-O 3.17Å; T189-E194 HydrophobicContact CG2-CB 3.96Å
190D95.6Very high97.3Very high178 Ų17853.5 Ų53.595%0.95227%0.274SS*.THydrogen-bonded Turntrans-64.8-16.7176.1-63.9-23.7000113.4
191K93.4Very high96.6Very high143 Ų14355 Ų5562%0.62228%0.282SS*.THydrogen-bonded Turntrans-113.69.2-175.5-59.7-173.4179.2178.10114.5T189 E215T189-K191 PolarHBondContact O-N 3.18Å; T189-K191 PolarHBondContact OG1-N 3.37Å; K191-E215 HydrophobicContact CB-CG 4.02Å; K191-E215 HydrophobicContact CD-CG 4.05Å; K191-E215 WeakPolarHBondContact CD-OE1 3.29Å; K191-E215 IonicContact NZ-OE1 2.97Å; K191-E215 PolarHBondContact NZ-OE1 3.44Å
192G96.7Very high95.6Very high24 Ų2459.4 Ų59.425%0.24731%0.311CS..EExtended strand (participates in β ladder)trans124.4-151.3-174.400000111.9T189T189-G192 WeakPolarHBondContact CA-O 3.34Å; T189-G192 PolarHBondContact N-O 2.94Å; T189-G192 PolarHBondContact O-N 3.19Å; T189-G192 PolarHBondContact OG1-N 3.44Å; T189-G192 PolarHBondContact OG1-O 3.17Å
193L98.6Very high94.8Very high18 Ų1864.4 Ų64.49%0.09433%0.334CS..EExtended strand (participates in β ladder)trans-93.4144.6178.7-52177.7000111.1L105 V186 S187 K188 E215 V216 L219L105-L193 HydrophobicContact CB-CD1 4.33Å; L105-L193 HydrophobicContact CB-CD2 4Å; L105-L193 HydrophobicContact CD1-CD2 4.11Å; V186-L193 HydrophobicContact CG1-CB 4.15Å; V186-L193 HydrophobicContact CG1-CD1 4.2Å; V186-L193 HydrophobicContact CG1-CD2 4.44Å; S187-L193 WeakPolarHBondContact O-CA 3.38Å; K188-L193 HydrophobicContact CB-CD2 4.46Å; L193-E215 PolarHBondContact O-N 3.41Å; L193-V216 HydrophobicContact CB-CB 4.1Å; L193-V216 WeakPolarHBondContact CB-O 3.5Å; L193-V216 PolarHBondContact N-O 3.46Å; L193-V216 WeakPolarHBondContact O-CB 3.46Å; L193-V216 PolarHBondContact O-N 3.17Å; L193-L219 HydrophobicContact CD1-CB 3.94Å
194E98.7Very high93.8Very high55 Ų5569.2 Ų69.226%0.25735%0.354SS..EExtended strand (participates in β ladder)trans-104.9121.5162.2177.9-170.686.100108.2V186 S187 T189 T212 I213 E214V186-E194 WeakPolarHBondContact CA-O 3.3Å; S187-E194 PolarHBondContact N-O 3Å; S187-E194 PolarHBondContact O-N 2.97Å; S187-E194 PolarHBondContact OG-OE1 3.23Å; T189-E194 HydrophobicContact CG2-CB 3.96Å; E194-T212 HydrophobicContact CG-CG2 4.18Å; E194-I213 WeakPolarHBondContact CA-O 3.38Å; E194-E214 HydrophobicContact CG-CG 4.33Å
195V98.8Very high92Very high0 Ų073.7 Ų73.70%037%0.373CS..EExtended strand (participates in β ladder)trans-106.1110.7-179-175.10000108.6V183 V186 I197 T212 I213 V216 L219V183-V195 HydrophobicContact CB-CG1 4.43Å; V183-V195 HydrophobicContact CG1-CG1 3.79Å; V183-V195 HydrophobicContact CG2-CG1 3.81Å; V186-V195 HydrophobicContact CG1-CG2 4.46Å; V195-I197 HydrophobicContact CG1-CG1 4.2Å; V195-T212 CarbonylContact O-C 3.6Å; V195-T212 WeakPolarHBondContact O-CA 3.28Å; V195-I213 HydrophobicContact CB-CB 4.47Å; V195-I213 PolarHBondContact N-O 3.38Å; V195-I213 PolarHBondContact O-N 3.49Å; V195-V216 HydrophobicContact CG2-CB 4.23Å; V195-V216 HydrophobicContact CG2-CG1 4.27Å; V195-V216 HydrophobicContact CG2-CG2 4Å; V195-L219 HydrophobicContact CG2-CD1 4.35Å; V195-L219 HydrophobicContact CG2-CD2 4.31Å
196T98.6Very high90.6Very high19 Ų1979.5 Ų79.512%0.11740%0.402CS..EExtended strand (participates in β ladder)trans-83.1126174.8-60.40000109.7K184 S185 I210K184-T196 HydrophobicContact CB-CG2 4.19Å; K184-T196 HydrophobicContact CD-CG2 4.44Å; K184-T196 PolarHBondContact N-O 3.2Å; S185-T196 PolarHBondContact O-N 3.46Å; S185-T196 WeakPolarHBondContact OG-CB 3.32Å; S185-T196 PolarHBondContact OG-OG1 2.96Å; T196-I210 HydrophobicContact CG2-CG2 3.8Å
197I98.3Very high89.7Confident0 Ų083.9 Ų83.90%043%0.425CS..EExtended strand (participates in β ladder)trans-117.2136.4-177.2-59.8179000109.7V148 W178 Q182 V195 I210 S211 I213V148-I197 HydrophobicContact CG2-CD1 3.8Å; W178-I197 HydrophobicContact CD2-CD1 3.96Å; W178-I197 HydrophobicContact CE3-CB 4.45Å; W178-I197 HydrophobicContact CE3-CD1 3.93Å; W178-I197 HydrophobicContact CE3-CG2 3.97Å; W178-I197 HydrophobicContact CG-CD1 4.4Å; W178-I197 HydrophobicContact CZ3-CB 4.49Å; W178-I197 HydrophobicContact CZ3-CD1 4.3Å; W178-I197 HydrophobicContact CZ3-CG2 4.4Å; Q182-I197 CarbonylContact O-C 3.58Å; Q182-I197 WeakPolarHBondContact O-CA 3.18Å; V195-I197 HydrophobicContact CG1-CG1 4.2Å; I197-I210 WeakPolarHBondContact O-CA 3.34Å; I197-S211 PolarHBondContact N-O 3.12Å; I197-S211 PolarHBondContact O-N 2.99Å; I197-I213 HydrophobicContact CD1-CD1 3.44Å; I197-I213 VanDerWaalsContact CD1-CD1 3.44Å; I197-I213 HydrophobicContact CD1-CG1 3.76Å
198V97Very high89.2Confident14 Ų1487 Ų879%0.08543%0.434CS..EExtended strand (participates in β ladder)trans-103.6123.4166.61720000108.6S181 Q182 K184 E208 I210S181-V198 CarbonylContact C-O 3.54Å; S181-V198 VanDerWaalsContact CA-O 3.3Å; S181-V198 WeakPolarHBondContact CA-O 3.18Å; Q182-V198 PolarHBondContact N-O 3.28Å; Q182-V198 PolarHBondContact O-N 3.17Å; K184-V198 HydrophobicContact CB-CG2 3.9Å; K184-V198 HydrophobicContact CD-CG2 3.69Å; K184-V198 HydrophobicContact CG-CG2 4.23Å; V198-E208 HydrophobicContact CG1-CB 3.93Å; V198-E208 HydrophobicContact CG1-CG 3.96Å; V198-I210 HydrophobicContact CG2-CG1 4.3Å
199T96.1Very high89Confident32 Ų3285.6 Ų85.620%0.19643%0.428CS..EExtended strand (participates in β ladder)trans-108.9128.6174.8-52.20000109.6S181 K209S181-T199 PolarHBondContact OG-OG1 3.38Å; S181-T199 VanDerWaalsContact OG-OG1 3.11Å; T199-K209 PolarHBondContact N-O 3.19Å; T199-K209 PolarHBondContact O-N 2.9Å
200K91.9Very high88.9Confident101 Ų10187.8 Ų87.844%0.43944%0.437SS..EExtended strand (participates in β ladder)trans-96.3129.3174.6-62.1-169.5178.2-153.30110.1N180 P202 E208N180-K200 VanDerWaalsContact CB-O 3.26Å; N180-K200 WeakPolarHBondContact CB-O 3.24Å; N180-K200 PolarHBondContact O-N 3.17Å; K200-P202 WeakPolarHBondContact O-CD 3.29Å; K200-E208 WeakPolarHBondContact CE-OE1 3.45Å; K200-E208 HydrophobicContact CG-CG 4.39Å; K200-E208 IonicContact NZ-OE1 3.39Å; K200-E208 PolarHBondContact NZ-OE1 3.47Å; K200-E208 VanDerWaalsContact NZ-OE1 3.15Å
201D83.2Confident89Confident63 Ų6380.5 Ų80.534%0.33740%0.4SS..  trans-79.8118170.4-172.5-22.8000109.3E203 K204D201-E203 PolarHBondContact O-N 3.02Å; D201-E203 PolarHBondContact OD1-N 2.88Å; D201-K204 HydrophobicContact CB-CB 4.08Å; D201-K204 CarbonylContact O-C 3.56Å; D201-K204 PolarHBondContact O-N 2.93Å
202P77Confident89.2Confident94 Ų9476.7 Ų76.761%0.6139%0.389SS*.THydrogen-bonded Turntrans-59.7-27.5178.6-19.831.5000113.4N180 K200N180-P202 WeakPolarHBondContact ND2-CG 3.42Å; K200-P202 WeakPolarHBondContact O-CD 3.29Å
203E79.6Confident89.3Confident182 Ų18275.6 Ų75.685%0.8538%0.377SS*.THydrogen-bonded Turntrans-88-19.5-177-60-170.5167.400112.3D201D201-E203 PolarHBondContact O-N 3.02Å; D201-E203 PolarHBondContact OD1-N 2.88Å
204K76.4Confident89.2Confident115 Ų11579.8 Ų79.850%0.540%0.396SS..  trans-121.390.7-179.3-59.6-179.7-176.8177.20110.6D201 N206 D207D201-K204 HydrophobicContact CB-CB 4.08Å; D201-K204 CarbonylContact O-C 3.56Å; D201-K204 PolarHBondContact O-N 2.93Å; K204-N206 PolarHBondContact O-N 3.21Å; K204-D207 HydrophobicContact CB-CB 4.1Å; K204-D207 HydrophobicContact CD-CB 4.44Å; K204-D207 PolarHBondContact O-N 3.3Å
205K62.2Low89.2Confident202 Ų20281.2 Ų81.288%0.87840%0.403SS*.THydrogen-bonded Turntrans-51.4-18.6-172.7-76.9-175.4175.5179.10116.6
206N67.7Low89.2Confident156 Ų15681.2 Ų81.283%0.83440%0.403SS*.THydrogen-bonded Turntrans-124.92-175.6-67.3-18000115.2K204K204-N206 PolarHBondContact O-N 3.21Å
207D80.6Confident89.2Confident100 Ų10084.8 Ų84.854%0.53542%0.419SS..  trans-95.8109.6177.4-86.3-13.8000110.2K204K204-D207 HydrophobicContact CB-CB 4.1Å; K204-D207 HydrophobicContact CD-CB 4.44Å; K204-D207 PolarHBondContact O-N 3.3Å
208E87.8Confident89.2Confident110 Ų11085 Ų8551%0.51442%0.42SS..EExtended strand (participates in β ladder)trans-97.6118.1169.5-71.7-168.7166.600109.5V198 K200V198-E208 HydrophobicContact CG1-CB 3.93Å; V198-E208 HydrophobicContact CG1-CG 3.96Å; K200-E208 WeakPolarHBondContact CE-OE1 3.45Å; K200-E208 HydrophobicContact CG-CG 4.39Å; K200-E208 IonicContact NZ-OE1 3.39Å; K200-E208 PolarHBondContact NZ-OE1 3.47Å; K200-E208 VanDerWaalsContact NZ-OE1 3.15Å
209K93.1Very high89.3Confident140 Ų14084.4 Ų84.461%0.60942%0.416SS*.EExtended strand (participates in β ladder)trans-87.8121.3171.9-176.9-178.4176.5-174.20109.2T199 S211T199-K209 PolarHBondContact N-O 3.19Å; T199-K209 PolarHBondContact O-N 2.9Å; K209-S211 WeakPolarHBondContact CE-OG 3.32Å
210I95.8Very high89.5Confident97 Ų9782.9 Ų82.950%0.49741%0.407SS..EExtended strand (participates in β ladder)trans-90.1136.4170.6-58.5176.3000108.6T196 I197 V198T196-I210 HydrophobicContact CG2-CG2 3.8Å; I197-I210 WeakPolarHBondContact O-CA 3.34Å; V198-I210 HydrophobicContact CG2-CG1 4.3Å
211S97.3Very high89.8Confident25 Ų2578.5 Ų78.518%0.17539%0.388CS..EExtended strand (participates in β ladder)trans-146.9159.7176.1-640000109.6I197 K209I197-S211 PolarHBondContact N-O 3.12Å; I197-S211 PolarHBondContact O-N 2.99Å; K209-S211 WeakPolarHBondContact CE-OG 3.32Å
212T97.7Very high90.5Very high64 Ų6476 Ų7639%0.39338%0.376SS..EExtended strand (participates in β ladder)trans-121.7145.2179.150.60000110.7E194 V195E194-T212 HydrophobicContact CG-CG2 4.18Å; V195-T212 CarbonylContact O-C 3.6Å; V195-T212 WeakPolarHBondContact O-CA 3.28Å
213I98.3Very high91.5Very high1 Ų174.9 Ų74.91%0.00536%0.364CS..EExtended strand (participates in β ladder)trans-112110.3164.5-53.9-175.3000106.9V123 W178 E194 V195 I197 V216V123-I213 HydrophobicContact CG2-CB 4.41Å; V123-I213 HydrophobicContact CG2-CD1 3.96Å; V123-I213 HydrophobicContact CG2-CG2 3.97Å; W178-I213 HydrophobicContact CD2-CD1 4.42Å; W178-I213 HydrophobicContact CH2-CG1 4.35Å; W178-I213 HydrophobicContact CZ2-CD1 3.88Å; W178-I213 HydrophobicContact CZ2-CG1 3.86Å; E194-I213 WeakPolarHBondContact CA-O 3.38Å; V195-I213 HydrophobicContact CB-CB 4.47Å; V195-I213 PolarHBondContact N-O 3.38Å; V195-I213 PolarHBondContact O-N 3.49Å; I197-I213 HydrophobicContact CD1-CD1 3.44Å; I197-I213 VanDerWaalsContact CD1-CD1 3.44Å; I197-I213 HydrophobicContact CD1-CG1 3.76Å; I213-V216 HydrophobicContact CB-CG2 4.12Å; I213-V216 HydrophobicContact CG2-CG2 3.52Å; I213-V216 WeakPolarHBondContact O-CG2 3.35Å
214E98.1Very high92.2Very high105 Ų10567.8 Ų67.849%0.49134%0.34SS..EExtended strand (participates in β ladder)trans-91.2165.3-180-63.3174.9-168.500112.2R121 E194 V216R121-E214 WeakPolarHBondContact CD-O 3.28Å; E194-E214 HydrophobicContact CG-CG 4.33Å; E214-V216 PolarHBondContact O-N 2.86Å
215E98.1Very high93.2Very high86 Ų8664.9 Ų64.940%0.40233%0.326SS..EExtended strand (participates in β ladder)trans56.637.5175.4-54.1-177.5165.200112.2R121 K191 L193 E217R121-E215 WeakPolarHBondContact CB-O 3.38Å; K191-E215 HydrophobicContact CB-CG 4.02Å; K191-E215 HydrophobicContact CD-CG 4.05Å; K191-E215 WeakPolarHBondContact CD-OE1 3.29Å; K191-E215 IonicContact NZ-OE1 2.97Å; K191-E215 PolarHBondContact NZ-OE1 3.44Å; L193-E215 PolarHBondContact O-N 3.41Å; E215-E217 PolarHBondContact O-N 2.83Å
216V98.8Very high94.8Very high0 Ų059.3 Ų59.30%030%0.303CS..EExtended strand (participates in β ladder)trans-81116.6178.21770000109.1V123 L193 V195 I213 E214 C218 L219V123-V216 HydrophobicContact CB-CG1 4.17Å; V123-V216 HydrophobicContact CG2-CB 4.41Å; V123-V216 HydrophobicContact CG2-CG1 3.83Å; V123-V216 HydrophobicContact CG2-CG2 3.62Å; L193-V216 HydrophobicContact CB-CB 4.1Å; L193-V216 WeakPolarHBondContact CB-O 3.5Å; L193-V216 PolarHBondContact N-O 3.46Å; L193-V216 WeakPolarHBondContact O-CB 3.46Å; L193-V216 PolarHBondContact O-N 3.17Å; V195-V216 HydrophobicContact CG2-CB 4.23Å; V195-V216 HydrophobicContact CG2-CG1 4.27Å; V195-V216 HydrophobicContact CG2-CG2 4Å; I213-V216 HydrophobicContact CB-CG2 4.12Å; I213-V216 HydrophobicContact CG2-CG2 3.52Å; I213-V216 WeakPolarHBondContact O-CG2 3.35Å; E214-V216 PolarHBondContact O-N 2.86Å; V216-C218 WeakPolarHBondContact CG1-O 3.19Å; V216-L219 HydrophobicContact CG1-CB 4.41Å
217E98.7Very high96.2Very high94 Ų9452.4 Ų52.444%0.43927%0.266SS..SBendtrans-87.4-24.5177.4-69.5-177.5-175.900111.8P119 K120 R121 E215P119-E217 WeakPolarHBondContact CA-OE2 3.32Å; P119-E217 HydrophobicContact CB-CB 3.92Å; K120-E217 WeakPolarHBondContact CD-OE1 3.32Å; K120-E217 PolarHBondContact N-OE2 2.92Å; R121-E217 PolarHBondContact O-N 2.83Å; E215-E217 PolarHBondContact O-N 2.83Å
218C98.8Very high97Very high4 Ų450.1 Ų50.13%0.02725%0.254CS..EExtended strand (participates in β ladder)trans-137.9113.6178.1177.70000111I107 P119 R121 S122 V123 V216I107-C218 VanDerWaalsContact CD1-SG 3.59Å; P119-C218 HydrophobicContact CB-CB 3.63Å; P119-C218 HydrophobicContact CG-CB 3.52Å; R121-C218 PolarHBondContact O-N 3.13Å; S122-C218 CarbonylContact C-O 3.58Å; S122-C218 VanDerWaalsContact CA-O 3.28Å; S122-C218 WeakPolarHBondContact CA-O 3.22Å; V123-C218 PolarHBondContact N-O 2.81Å; V216-C218 WeakPolarHBondContact CG1-O 3.19Å
219L98.8Very high97.4Very high2 Ų246 Ų461%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-103119.2164.8172.963.4000108.1G106 I107 V123 V125 V186 L193 V195 V216 W221G106-L219 CarbonylContact C-O 3.51Å; G106-L219 VanDerWaalsContact CA-O 3.28Å; G106-L219 WeakPolarHBondContact CA-O 3.46Å; I107-L219 WeakPolarHBondContact CG1-O 3.41Å; I107-L219 PolarHBondContact N-O 3.02Å; V123-L219 HydrophobicContact CB-CD1 3.97Å; V123-L219 HydrophobicContact CG1-CD1 3.8Å; V123-L219 CarbonylContact O-C 3.6Å; V123-L219 WeakPolarHBondContact O-CA 3.46Å; V125-L219 HydrophobicContact CG2-CD1 3.81Å; V186-L219 HydrophobicContact CB-CD2 4.34Å; V186-L219 HydrophobicContact CG1-CD2 3.94Å; V186-L219 HydrophobicContact CG2-CD2 3.46Å; V186-L219 VanDerWaalsContact CG2-CD2 3.46Å; L193-L219 HydrophobicContact CD1-CB 3.94Å; V195-L219 HydrophobicContact CG2-CD1 4.35Å; V195-L219 HydrophobicContact CG2-CD2 4.31Å; V216-L219 HydrophobicContact CG1-CB 4.41Å; L219-W221 HydrophobicContact CD2-CH2 4.21Å; L219-W221 HydrophobicContact CD2-CZ2 3.6Å; L219-W221 HydrophobicContact CG-CZ2 4.19Å
220L98.8Very high97.3Very high0 Ų044 Ų440%024%0.24CC..EExtended strand (participates in β ladder)trans-117.4119.3-175.7-169.2159.1000111.5I107 F112 V123 I124 V125 M134 A222I107-L220 HydrophobicContact CG1-CB 4.28Å; I107-L220 HydrophobicContact CG1-CG 4.33Å; I107-L220 CarbonylContact O-C 3.57Å; I107-L220 WeakPolarHBondContact O-CA 3.28Å; F112-L220 HydrophobicContact CB-CD1 3.78Å; F112-L220 HydrophobicContact CD2-CD1 4.02Å; F112-L220 HydrophobicContact CG-CD1 4.23Å; V123-L220 PolarHBondContact O-N 2.97Å; I124-L220 HydrophobicContact CG1-CB 4.38Å; I124-L220 HydrophobicContact CG2-CD2 4.33Å; V125-L220 PolarHBondContact N-O 3Å; M134-L220 HydrophobicContact CB-CD1 4.34Å; M134-L220 HydrophobicContact CG-CD1 4.35Å; L220-A222 HydrophobicContact CD2-CB 3.72Å; L220-A222 PolarHBondContact O-N 3.49Å
221W98.7Very high97.2Very high9 Ų941.7 Ų41.73%0.03424%0.24CC..EExtended strand (participates in β ladder)trans-84.2106.6173.7-56.3113.8000110.9L95 V100 A103 I107 V125 V183 V186 L219 I223L95-W221 HydrophobicContact CD1-CD2 4.4Å; L95-W221 HydrophobicContact CD1-CE3 3.86Å; L95-W221 HydrophobicContact CD1-CH2 3.94Å; L95-W221 HydrophobicContact CD1-CZ2 4.45Å; L95-W221 HydrophobicContact CD1-CZ3 3.6Å; V100-W221 HydrophobicContact CG1-CH2 4.43Å; A103-W221 HydrophobicContact CB-CZ2 4.16Å; A103-W221 PolarHBondContact O-NE1 3.42Å; I107-W221 PolarHBondContact O-N 3.47Å; V125-W221 HydrophobicContact CB-CE3 3.71Å; V125-W221 HydrophobicContact CB-CZ3 3.85Å; V125-W221 HydrophobicContact CG1-CE3 4.02Å; V125-W221 HydrophobicContact CG1-CZ3 3.86Å; V125-W221 HydrophobicContact CG2-CE3 3.91Å; V125-W221 HydrophobicContact CG2-CH2 4.47Å; V125-W221 HydrophobicContact CG2-CZ3 3.7Å; V183-W221 HydrophobicContact CB-CH2 3.88Å; V183-W221 HydrophobicContact CB-CZ3 4.23Å; V183-W221 HydrophobicContact CG1-CH2 3.93Å; V183-W221 HydrophobicContact CG2-CH2 4.03Å; V183-W221 HydrophobicContact CG2-CZ3 4.12Å; V186-W221 HydrophobicContact CG2-CZ2 4.41Å; L219-W221 HydrophobicContact CD2-CH2 4.21Å; L219-W221 HydrophobicContact CD2-CZ2 3.6Å; L219-W221 HydrophobicContact CG-CZ2 4.19Å; W221-I223 HydrophobicContact CE3-CG2 4.47Å
222A98.4Very high97.1Very high11 Ų1141.1 Ų41.19%0.09124%0.235CC..  trans-116.849175.900000110.6I124 V125 I130 A131 L220I124-A222 HydrophobicContact CG2-CB 4.23Å; V125-A222 CarbonylContact O-C 3.52Å; V125-A222 WeakPolarHBondContact O-CA 3.39Å; V125-A222 PolarHBondContact O-N 3.05Å; I130-A222 HydrophobicContact CB-CB 4.27Å; I130-A222 HydrophobicContact CG2-CB 3.93Å; A131-A222 HydrophobicContact CB-CB 3.69Å; L220-A222 HydrophobicContact CD2-CB 3.72Å; L220-A222 PolarHBondContact O-N 3.49Å
223I97.4Very high96.9Very high70 Ų7040.6 Ų40.636%0.35923%0.23SC..SBendtrans-98.4-0.3-167.660.9173.9000114.5L95 V125 W221L95-I223 HydrophobicContact CD1-CD1 4.09Å; L95-I223 HydrophobicContact CD2-CD1 3.9Å; L95-I223 HydrophobicContact CG-CD1 3.61Å; V125-I223 HydrophobicContact CB-CG2 4.47Å; V125-I223 HydrophobicContact CG1-CG2 4.07Å; V125-I223 WeakPolarHBondContact O-CG2 3.1Å; W221-I223 HydrophobicContact CE3-CG2 4.47Å
224G95.2Very high96.5Very high33 Ų3341.1 Ų41.134%0.3423%0.233SC..  trans146.3-173.6177.300000113S93S93-G224 PolarHBondContact N-O 3.46Å; S93-G224 VanDerWaalsContact OG-C 3.26Å; S93-G224 PolarHBondContact OG-O 3.43Å
225R96.4Very high95.8Very high54 Ų5439.2 Ų39.220%0.20424%0.241CC..EExtended strand (participates in β ladder)trans-129.1153.3173.8-61.418065.767-0.3109.6G90 Q91 S93 R244 D265 L271G90-R225 VanDerWaalsContact C-NH2 3.26Å; G90-R225 PolarHBondContact O-NH2 3.11Å; Q91-R225 CarbonylContact O-C 3.59Å; Q91-R225 VanDerWaalsContact O-CA 3.26Å; Q91-R225 WeakPolarHBondContact O-CA 3.44Å; S93-R225 PolarHBondContact OG-N 3.27Å; R225-R244 PolarHBondContact O-NH2 3.28Å; R225-D265 IonicContact CZ-OD2 3.56Å; R225-D265 IonicContact NE-OD2 3.48Å; R225-D265 PolarHBondContact NE-OD2 3.49Å; R225-D265 IonicContact NH2-OD2 2.81Å; R225-L271 HydrophobicContact CB-CD2 4.32Å
226Q96.5Very high95.2Very high85 Ų8538.7 Ų38.740%0.39725%0.247SC..EExtended strand (participates in β ladder)trans-121.1147.7172.4-63.9-177.4600109.5G90 Q91 S93G90-Q226 CarbonylContact C-O 3.53Å; G90-Q226 WeakPolarHBondContact CA-O 3.45Å; Q91-Q226 PolarHBondContact N-O 2.95Å; Q91-Q226 PolarHBondContact O-N 3.25Å; S93-Q226 WeakPolarHBondContact OG-CG 3.47Å
227P97.7Very high94.6Very high10 Ų1038.9 Ų38.97%0.06525%0.248CC..EExtended strand (participates in β ladder)trans-69144.5178.628.4-31.4000110.8T229 R244 G245 H246 V266P227-T229 VanDerWaalsContact C-N 3.29Å; P227-T229 HydrophobicContact CB-CG2 4.22Å; P227-T229 PolarHBondContact O-N 3.29Å; P227-T229 VanDerWaalsContact O-N 3.11Å; P227-R244 WeakPolarHBondContact CD-O 3.22Å; P227-R244 VanDerWaalsContact CG-O 3.31Å; P227-R244 WeakPolarHBondContact CG-O 3.37Å; P227-G245 VanDerWaalsContact CG-O 3.28Å; P227-G245 WeakPolarHBondContact CG-O 3.24Å; P227-H246 HydrophobicContact CG-CB 4.39Å; P227-V266 HydrophobicContact CB-CG2 4.33Å
228N97.1Very high94.1Very high53 Ų5336.8 Ų36.828%0.28325%0.251SS..SBendtrans-88.771.1176.5-169.74.5000110.2T88 G89T88-N228 WeakPolarHBondContact CB-O 3.39Å; T88-N228 WeakPolarHBondContact O-CB 3.17Å; T88-N228 PolarHBondContact OG1-O 2.93Å; G89-N228 PolarHBondContact O-N 2.83Å
229T96Very high93.8Very high22 Ų2237 Ų3714%0.13525%0.252CS..  trans-111.4-15.7179.849.10000113.5P227 G231 L232 G245 I247 V266P227-T229 VanDerWaalsContact C-N 3.29Å; P227-T229 HydrophobicContact CB-CG2 4.22Å; P227-T229 PolarHBondContact O-N 3.29Å; P227-T229 VanDerWaalsContact O-N 3.11Å; T229-G231 PolarHBondContact O-N 3.5Å; T229-L232 WeakPolarHBondContact O-CB 3.41Å; T229-L232 PolarHBondContact O-N 2.74Å; T229-G245 WeakPolarHBondContact CG2-O 3.48Å; T229-G245 PolarHBondContact OG1-O 3Å; T229-I247 HydrophobicContact CG2-CD1 4.09Å; T229-I247 HydrophobicContact CG2-CG1 3.9Å; T229-V266 HydrophobicContact CG2-CG2 3.49Å; T229-V266 VanDerWaalsContact CG2-CG2 3.49Å
230S91.9Very high93.7Very high98 Ų9841.4 Ų41.469%0.68528%0.275SS*.THydrogen-bonded Turntrans-60.5132.4175.7-173.40000110.7Y61 L232Y61-S230 PolarHBondContact OH-O 3.28Å; S230-L232 VanDerWaalsContact C-N 3.33Å; S230-L232 PolarHBondContact O-N 2.78Å
231G91.9Very high93.6Very high49 Ų4944.3 Ų44.351%0.50529%0.294SS..THydrogen-bonded Turntrans84.4-9.8-179.900000115.8Y61 T229 N233Y61-G231 WeakPolarHBondContact OH-CA 3.04Å; Y61-G231 PolarHBondContact OH-O 2.98Å; T229-G231 PolarHBondContact O-N 3.5Å; G231-N233 PolarHBondContact O-N 3.29Å
232L95.3Very high93.5Very high13 Ų1346.8 Ų46.87%0.06831%0.307CS..SBendtrans-76.7-7.1-179.4-63.3-177.8000114.1Y61 A62 F64 I86 T88 T229 S230 I234Y61-L232 HydrophobicContact CE1-CD2 4.42Å; Y61-L232 PolarHBondContact OH-N 2.93Å; A62-L232 WeakPolarHBondContact O-CD2 3.48Å; F64-L232 WeakPolarHBondContact CD2-O 3.36Å; F64-L232 PolarHBondContact N-O 2.91Å; I86-L232 HydrophobicContact CG2-CD1 4.27Å; T88-L232 HydrophobicContact CG2-CD1 3.83Å; T88-L232 HydrophobicContact CG2-CD2 4.24Å; T229-L232 WeakPolarHBondContact O-CB 3.41Å; T229-L232 PolarHBondContact O-N 2.74Å; S230-L232 VanDerWaalsContact C-N 3.33Å; S230-L232 PolarHBondContact O-N 2.78Å; L232-I234 VanDerWaalsContact C-N 3.34Å; L232-I234 HydrophobicContact CB-CD1 3.66Å; L232-I234 HydrophobicContact CB-CG1 3.79Å; L232-I234 HydrophobicContact CD1-CD1 4.02Å; L232-I234 HydrophobicContact CD1-CG1 4.41Å
233N94.1Very high93.4Very high54 Ų5456 Ų5629%0.28935%0.349SS..  trans61.835.2-173.9-160.328.9000114F64 D66 G231 G235 S236 M237F64-N233 HydrophobicContact CB-CB 4.42Å; F64-N233 WeakPolarHBondContact O-CB 3.26Å; F64-N233 PolarHBondContact O-ND2 2.92Å; D66-N233 PolarHBondContact OD1-ND2 3.06Å; G231-N233 PolarHBondContact O-N 3.29Å; N233-G235 VanDerWaalsContact C-N 3.35Å; N233-G235 PolarHBondContact O-N 3.24Å; N233-S236 PolarHBondContact O-N 3Å; N233-S236 WeakPolarHBondContact OD1-CB 3.38Å; N233-S236 PolarHBondContact OD1-OG 3.32Å; N233-M237 PolarHBondContact O-N 3.4Å
234I90.9Very high93.2Very high12 Ų1260 Ų606%0.06236%0.359CS..THydrogen-bonded Turntrans-58.7-42.2-178.8-58.8-56000112.3F64 I86 L232 S236 M237 G238 L239 T241 I247F64-I234 HydrophobicContact CD2-CD1 4.06Å; F64-I234 HydrophobicContact CE2-CD1 3.96Å; I86-I234 HydrophobicContact CD1-CD1 4.11Å; L232-I234 VanDerWaalsContact C-N 3.34Å; L232-I234 HydrophobicContact CB-CD1 3.66Å; L232-I234 HydrophobicContact CB-CG1 3.79Å; L232-I234 HydrophobicContact CD1-CD1 4.02Å; L232-I234 HydrophobicContact CD1-CG1 4.41Å; I234-S236 PolarHBondContact O-N 3.39Å; I234-M237 WeakPolarHBondContact O-CB 3.46Å; I234-M237 PolarHBondContact O-N 3Å; I234-M237 VanDerWaalsContact O-N 3.15Å; I234-G238 PolarHBondContact O-N 3.42Å; I234-L239 HydrophobicContact CD1-CD1 4Å; I234-L239 HydrophobicContact CG2-CB 3.5Å; I234-L239 VanDerWaalsContact CG2-CB 3.5Å; I234-L239 HydrophobicContact CG2-CD1 4.09Å; I234-L239 HydrophobicContact CG2-CG 4.42Å; I234-L239 PolarHBondContact O-N 2.98Å; I234-T241 HydrophobicContact CG2-CG2 3.82Å; I234-I247 HydrophobicContact CD1-CD1 4.44Å
235G83.1Confident93.2Very high65 Ų6559.3 Ų59.367%0.6735%0.352SS*.THydrogen-bonded Turntrans-61.9-44.2-177.600000113.2N233 M237 G238N233-G235 VanDerWaalsContact C-N 3.35Å; N233-G235 PolarHBondContact O-N 3.24Å; G235-M237 PolarHBondContact O-N 2.94Å; G235-G238 PolarHBondContact O-N 2.92Å
236S84.9Confident93.3Very high74 Ų7457.3 Ų57.352%0.51735%0.345SS..THydrogen-bonded Turntrans-66.8-22.8178.1-49.20000112.5D66 N233 I234 G238D66-S236 WeakPolarHBondContact OD1-CB 3.12Å; N233-S236 PolarHBondContact O-N 3Å; N233-S236 WeakPolarHBondContact OD1-CB 3.38Å; N233-S236 PolarHBondContact OD1-OG 3.32Å; I234-S236 PolarHBondContact O-N 3.39Å; S236-G238 VanDerWaalsContact C-N 3.28Å; S236-G238 PolarHBondContact O-N 3.49Å
237M86.4Confident93.4Very high5 Ų553.3 Ų53.33%0.02533%0.327CS..THydrogen-bonded Turntrans-79.8-6.4174.8-71.7-63.8-73.600114.3F64 T65 P70 N233 I234 G235 L239 R257 I260F64-M237 HydrophobicContact CB-CE 4.43Å; F64-M237 HydrophobicContact CB-CG 3.31Å; F64-M237 HydrophobicContact CB-SD 3.81Å; F64-M237 HydrophobicContact CD1-CE 3.61Å; F64-M237 HydrophobicContact CD1-CG 4.03Å; F64-M237 HydrophobicContact CD1-SD 4.12Å; F64-M237 HydrophobicContact CD2-CG 4.1Å; F64-M237 HydrophobicContact CE1-CE 4.08Å; F64-M237 HydrophobicContact CG-CE 4.17Å; F64-M237 HydrophobicContact CG-CG 3.57Å; F64-M237 HydrophobicContact CG-SD 4.17Å; T65-M237 VanDerWaalsContact O-SD 3.32Å; P70-M237 HydrophobicContact CB-CE 4.37Å; N233-M237 PolarHBondContact O-N 3.4Å; I234-M237 WeakPolarHBondContact O-CB 3.46Å; I234-M237 PolarHBondContact O-N 3Å; I234-M237 VanDerWaalsContact O-N 3.15Å; G235-M237 PolarHBondContact O-N 2.94Å; M237-L239 VanDerWaalsContact C-N 3.28Å; M237-L239 HydrophobicContact CB-CD1 4.17Å; M237-L239 HydrophobicContact CB-CG 4.07Å; M237-L239 PolarHBondContact O-N 3.38Å; M237-R257 VanDerWaalsContact O-CD 3.31Å; M237-R257 WeakPolarHBondContact O-CD 3.17Å; M237-R257 PolarHBondContact O-NH1 2.83Å; M237-R257 PolarHBondContact SD-NH1 3.2Å; M237-I260 HydrophobicContact CE-CD1 3.66Å
238G87.1Confident93.4Very high49 Ų4957 Ų5751%0.50535%0.345SS..THydrogen-bonded Turntrans68.127.1-176.600000113.3I234 G235 S236 S256I234-G238 PolarHBondContact O-N 3.42Å; G235-G238 PolarHBondContact O-N 2.92Å; S236-G238 VanDerWaalsContact C-N 3.28Å; S236-G238 PolarHBondContact O-N 3.49Å; G238-S256 PolarHBondContact O-OG 2.96Å; G238-S256 VanDerWaalsContact O-OG 3.14Å
239L93.7Very high93.5Very high10 Ų1056.4 Ų56.45%0.05234%0.343CS..  trans-84.5130.9176.9-72.9174.1000110.3F64 I86 I234 M237 T255 S256 R257 I260F64-L239 HydrophobicContact CE2-CD1 4.36Å; I86-L239 HydrophobicContact CD1-CD1 3.85Å; I234-L239 HydrophobicContact CD1-CD1 4Å; I234-L239 HydrophobicContact CG2-CB 3.5Å; I234-L239 VanDerWaalsContact CG2-CB 3.5Å; I234-L239 HydrophobicContact CG2-CD1 4.09Å; I234-L239 HydrophobicContact CG2-CG 4.42Å; I234-L239 PolarHBondContact O-N 2.98Å; M237-L239 VanDerWaalsContact C-N 3.28Å; M237-L239 HydrophobicContact CB-CD1 4.17Å; M237-L239 HydrophobicContact CB-CG 4.07Å; M237-L239 PolarHBondContact O-N 3.38Å; L239-T255 HydrophobicContact CD2-CG2 4.16Å; L239-T255 WeakPolarHBondContact CD2-OG1 3.49Å; L239-S256 WeakPolarHBondContact CA-OG 3.2Å; L239-R257 HydrophobicContact CD2-CB 3.62Å; L239-I260 HydrophobicContact CD1-CD1 4.45Å; L239-I260 HydrophobicContact CD1-CG2 4.23Å; L239-I260 HydrophobicContact CD2-CB 4.37Å; L239-I260 HydrophobicContact CD2-CD1 4.39Å; L239-I260 HydrophobicContact CD2-CG2 4.19Å
240D96.4Very high93.6Very high93 Ų9358.8 Ų58.850%0.49736%0.355SS..  trans-75.4133.8180-64.9-21.9000111.2I248 S256D240-I248 HydrophobicContact CB-CB 4.21Å; D240-I248 HydrophobicContact CB-CD1 4.21Å; D240-I248 PolarHBondContact O-N 2.77Å; D240-S256 PolarHBondContact N-OG 2.92Å; D240-S256 VanDerWaalsContact OD2-CB 3.27Å; D240-S256 WeakPolarHBondContact OD2-CB 3.39Å
241T97.2Very high93.9Very high62 Ų6259.3 Ų59.338%0.3835%0.346SS..BIsolated β-bridgetrans-127152.1171.960.30000111.4I234 H246 I247I234-T241 HydrophobicContact CG2-CG2 3.82Å; T241-H246 CarbonylContact C-O 3.51Å; T241-H246 WeakPolarHBondContact CA-O 3.1Å; T241-H246 WeakPolarHBondContact CB-O 3.32Å; T241-I247 HydrophobicContact CG2-CG1 4.48Å
242D96.6Very high94.2Very high61 Ų6159 Ų5933%0.32633%0.331SS..  trans-71.1175168.877.93.7000111.8R244 G245 H246D242-R244 PolarHBondContact O-N 3.17Å; D242-R244 VanDerWaalsContact OD1-C 3.25Å; D242-R244 VanDerWaalsContact OD1-CA 3.28Å; D242-R244 WeakPolarHBondContact OD1-CA 3.44Å; D242-R244 WeakPolarHBondContact OD1-CB 3.45Å; D242-R244 PolarHBondContact OD1-N 2.88Å; D242-G245 PolarHBondContact O-N 3.1Å; D242-G245 PolarHBondContact OD1-N 2.92Å; D242-H246 PolarHBondContact N-O 2.85Å; D242-H246 IonicContact OD1-CG 3.39Å; D242-H246 PolarHBondContact OD1-N 2.95Å; D242-H246 IonicContact OD1-ND1 2.75Å; D242-H246 PolarHBondContact OD1-ND1 2.89Å; D242-H246 IonicContact OD2-CE1 3.41Å; D242-H246 IonicContact OD2-CG 2.92Å; D242-H246 IonicContact OD2-ND1 3.13Å; D242-H246 PolarHBondContact OD2-ND1 2.91Å
243E95.1Very high94.4Very high205 Ų20558.7 Ų58.796%0.95833%0.33SS*.THydrogen-bonded Turntrans-59.7-16.9179.1-61178.4-17800113.8
244R94.1Very high94.6Very high153 Ų15358.1 Ų58.158%0.57733%0.327SS*.THydrogen-bonded Turntrans-102.14.1179.5-62.1179.862.9-160.2-6.8112.4R225 P227 D242R225-R244 PolarHBondContact O-NH2 3.28Å; P227-R244 WeakPolarHBondContact CD-O 3.22Å; P227-R244 VanDerWaalsContact CG-O 3.31Å; P227-R244 WeakPolarHBondContact CG-O 3.37Å; D242-R244 PolarHBondContact O-N 3.17Å; D242-R244 VanDerWaalsContact OD1-C 3.25Å; D242-R244 VanDerWaalsContact OD1-CA 3.28Å; D242-R244 WeakPolarHBondContact OD1-CA 3.44Å; D242-R244 WeakPolarHBondContact OD1-CB 3.45Å; D242-R244 PolarHBondContact OD1-N 2.88Å
245G95.7Very high95Very high19 Ų1958.3 Ų58.320%0.19633%0.328CS..  trans82.312.917800000115.1P227 T229 D242P227-G245 VanDerWaalsContact CG-O 3.28Å; P227-G245 WeakPolarHBondContact CG-O 3.24Å; T229-G245 WeakPolarHBondContact CG2-O 3.48Å; T229-G245 PolarHBondContact OG1-O 3Å; D242-G245 PolarHBondContact O-N 3.1Å; D242-G245 PolarHBondContact OD1-N 2.92Å
246H98.3Very high95.6Very high11 Ų1157.8 Ų57.85%0.05131%0.314CS..PPolyproline II helixtrans-76.3140.8175.1-57.997.4000109.6P227 T241 D242 I248 V266 G268P227-H246 HydrophobicContact CG-CB 4.39Å; T241-H246 CarbonylContact C-O 3.51Å; T241-H246 WeakPolarHBondContact CA-O 3.1Å; T241-H246 WeakPolarHBondContact CB-O 3.32Å; D242-H246 PolarHBondContact N-O 2.85Å; D242-H246 IonicContact OD1-CG 3.39Å; D242-H246 PolarHBondContact OD1-N 2.95Å; D242-H246 IonicContact OD1-ND1 2.75Å; D242-H246 PolarHBondContact OD1-ND1 2.89Å; D242-H246 IonicContact OD2-CE1 3.41Å; D242-H246 IonicContact OD2-CG 2.92Å; D242-H246 IonicContact OD2-ND1 3.13Å; D242-H246 PolarHBondContact OD2-ND1 2.91Å; H246-I248 PolarHBondContact O-N 3.49Å; H246-V266 CarbonylContact C-O 3.57Å; H246-V266 VanDerWaalsContact CA-O 3.26Å; H246-V266 WeakPolarHBondContact CA-O 3.5Å; H246-V266 WeakPolarHBondContact CB-O 3.47Å; H246-G268 WeakPolarHBondContact CD2-CA 3.48Å; H246-G268 PolarHBondContact CD2-N 2.94Å
247I98.2Very high96.1Very high2 Ų256.8 Ų56.81%0.0130%0.299CS..BIsolated β-bridgetrans-72.4123.3178.5-60.6174.8000109.1I86 T229 I234 T241 V249 T255 A262 V266I86-I247 HydrophobicContact CB-CD1 3.97Å; I86-I247 HydrophobicContact CD1-CD1 3.61Å; I86-I247 HydrophobicContact CG1-CD1 4.39Å; I86-I247 HydrophobicContact CG2-CD1 3.54Å; T229-I247 HydrophobicContact CG2-CD1 4.09Å; T229-I247 HydrophobicContact CG2-CG1 3.9Å; I234-I247 HydrophobicContact CD1-CD1 4.44Å; T241-I247 HydrophobicContact CG2-CG1 4.48Å; I247-V249 HydrophobicContact CG2-CG1 4.28Å; I247-T255 HydrophobicContact CG2-CG2 3.69Å; I247-A262 HydrophobicContact CB-CB 4.08Å; I247-A262 HydrophobicContact CD1-CB 4.18Å; I247-A262 HydrophobicContact CG2-CB 3.78Å; I247-V266 HydrophobicContact CD1-CG2 3.87Å; I247-V266 HydrophobicContact CG1-CG2 4.16Å; I247-V266 PolarHBondContact N-O 2.82Å
248I98.3Very high96.6Very high87 Ų8762.1 Ų62.145%0.44633%0.334SS..PPolyproline II helixtrans-74.7130.1177.1-63.4176.9000108.6D240 H246D240-I248 HydrophobicContact CB-CB 4.21Å; D240-I248 HydrophobicContact CB-CD1 4.21Å; D240-I248 PolarHBondContact O-N 2.77Å; H246-I248 PolarHBondContact O-N 3.49Å
249V98.6Very high97Very high41 Ų4160.6 Ų60.625%0.24832%0.318CS..  trans-134.2151.3177.5-64.80000111.9I247 N254 T255 A262 C267I247-V249 HydrophobicContact CG2-CG1 4.28Å; V249-N254 CarbonylContact C-O 3.41Å; V249-N254 WeakPolarHBondContact CA-O 3.15Å; V249-N254 WeakPolarHBondContact CB-O 3.27Å; V249-T255 HydrophobicContact CG1-CG2 4.19Å; V249-A262 HydrophobicContact CG1-CB 3.8Å; V249-C267 HydrophobicContact CG2-CB 4.22Å
250D98.4Very high97.2Very high72 Ų7260.1 Ų60.139%0.38532%0.316SS..  trans-76.9-178.3167.974.76.7000112.3F252 Q253 N254D250-F252 PolarHBondContact O-N 3.32Å; D250-F252 VanDerWaalsContact O-N 3.14Å; D250-F252 VanDerWaalsContact OD1-CA 3.32Å; D250-F252 WeakPolarHBondContact OD1-CA 3.25Å; D250-F252 WeakPolarHBondContact OD1-CB 3.49Å; D250-F252 PolarHBondContact OD1-N 2.8Å; D250-Q253 PolarHBondContact O-N 3.39Å; D250-Q253 PolarHBondContact OD1-N 3.09Å; D250-N254 PolarHBondContact N-O 3.01Å; D250-N254 WeakPolarHBondContact OD1-CB 3.41Å; D250-N254 PolarHBondContact OD1-N 3.38Å; D250-N254 PolarHBondContact OD1-ND2 3.05Å; D250-N254 WeakPolarHBondContact OD2-CB 3.47Å; D250-N254 PolarHBondContact OD2-ND2 3.47Å
251E98.4Very high97.3Very high108 Ų10856.5 Ų56.551%0.50530%0.296SS..THydrogen-bonded Turntrans-65.7-12.9179.462.4168.3-179.700114.9K295E251-K295 HydrophobicContact CB-CD 4.43Å; E251-K295 HydrophobicContact CG-CD 4.17Å; E251-K295 WeakPolarHBondContact O-CB 3.45Å; E251-K295 IonicContact OE1-NZ 2.8Å; E251-K295 PolarHBondContact OE1-NZ 3.08Å; E251-K295 WeakPolarHBondContact OE2-CD 3.4Å; E251-K295 IonicContact OE2-NZ 3.3Å; E251-K295 PolarHBondContact OE2-NZ 3.25Å
252F98.6Very high97.4Very high42 Ų4253.6 Ų53.618%0.18428%0.278CS..THydrogen-bonded Turntrans-100.95.8176.3-69.2-78.2000112.2D250 N254 R286 K292 K295D250-F252 PolarHBondContact O-N 3.32Å; D250-F252 VanDerWaalsContact O-N 3.14Å; D250-F252 VanDerWaalsContact OD1-CA 3.32Å; D250-F252 WeakPolarHBondContact OD1-CA 3.25Å; D250-F252 WeakPolarHBondContact OD1-CB 3.49Å; D250-F252 PolarHBondContact OD1-N 2.8Å; F252-N254 VanDerWaalsContact C-N 3.29Å; F252-N254 WeakPolarHBondContact CB-ND2 3.29Å; F252-R286 PolarHBondContact O-NH2 3.46Å; F252-K292 WeakPolarHBondContact CE1-O 3.42Å; F252-K295 HydrophobicContact CD1-CB 3.83Å; F252-K295 HydrophobicContact CD1-CD 4.23Å; F252-K295 HydrophobicContact CD1-CG 4.41Å; F252-K295 HydrophobicContact CE1-CB 3.99Å; F252-K295 HydrophobicContact CE1-CD 3.77Å; F252-K295 HydrophobicContact CE1-CG 4.07Å; F252-K295 HydrophobicContact CE2-CD 4.4Å; F252-K295 HydrophobicContact CZ-CD 3.86Å
253Q98.8Very high97.5Very high8 Ų851.1 Ų51.14%0.03727%0.265CS..  trans72.116.4-177.1-45.7-54.1131.300114.3D250 Y261 A262 V263 A279 Y298D250-Q253 PolarHBondContact O-N 3.39Å; D250-Q253 PolarHBondContact OD1-N 3.09Å; Q253-Y261 VanDerWaalsContact O-CA 3.25Å; Q253-Y261 WeakPolarHBondContact O-CA 3.3Å; Q253-Y261 WeakPolarHBondContact O-CB 3.41Å; Q253-A262 WeakPolarHBondContact CB-O 3.35Å; Q253-A262 PolarHBondContact NE2-O 2.98Å; Q253-A262 PolarHBondContact O-N 2.83Å; Q253-A262 VanDerWaalsContact O-N 3.15Å; Q253-V263 HydrophobicContact CB-CG1 4.05Å; Q253-V263 HydrophobicContact CG-CG1 3.9Å; Q253-A279 HydrophobicContact CG-CB 4.49Å; Q253-Y298 PolarHBondContact OE1-OH 3.37Å
254N98.6Very high97.7Very high42 Ų4241.8 Ų41.823%0.22522%0.224CC..BIsolated β-bridgetrans-76.1138.9174.3-51.6-53.1000109.9V249 D250 F252 Y261 R286V249-N254 CarbonylContact C-O 3.41Å; V249-N254 WeakPolarHBondContact CA-O 3.15Å; V249-N254 WeakPolarHBondContact CB-O 3.27Å; D250-N254 PolarHBondContact N-O 3.01Å; D250-N254 WeakPolarHBondContact OD1-CB 3.41Å; D250-N254 PolarHBondContact OD1-N 3.38Å; D250-N254 PolarHBondContact OD1-ND2 3.05Å; D250-N254 WeakPolarHBondContact OD2-CB 3.47Å; D250-N254 PolarHBondContact OD2-ND2 3.47Å; F252-N254 VanDerWaalsContact C-N 3.29Å; F252-N254 WeakPolarHBondContact CB-ND2 3.29Å; N254-Y261 WeakPolarHBondContact OD1-CD1 3.33Å; N254-Y261 WeakPolarHBondContact OD1-CE1 3.39Å; N254-R286 PolarHBondContact OD1-NH1 3.04Å; N254-R286 PolarHBondContact OD1-NH2 3.47Å
255T98.3Very high97.9Very high16 Ų1636 Ų3610%0.09820%0.204CC..  trans-85.4-179168.570.30000111L239 I247 V249 R257 I260 A262L239-T255 HydrophobicContact CD2-CG2 4.16Å; L239-T255 WeakPolarHBondContact CD2-OG1 3.49Å; I247-T255 HydrophobicContact CG2-CG2 3.69Å; V249-T255 HydrophobicContact CG1-CG2 4.19Å; T255-R257 PolarHBondContact O-N 3.5Å; T255-R257 PolarHBondContact OG1-N 2.77Å; T255-R257 PolarHBondContact OG1-O 3.23Å; T255-I260 WeakPolarHBondContact CB-O 3.22Å; T255-I260 HydrophobicContact CG2-CG2 4.17Å; T255-I260 WeakPolarHBondContact CG2-O 3.17Å; T255-I260 PolarHBondContact N-O 2.8Å; T255-I260 VanDerWaalsContact N-O 3.11Å; T255-I260 PolarHBondContact OG1-O 2.88Å; T255-A262 HydrophobicContact CG2-CB 4.26Å
256S96.3Very high98Very high54 Ų5435.1 Ų35.138%0.37820%0.195SC..SBendtrans-64.4-17.317259.60000113.9G238 L239 D240G238-S256 PolarHBondContact O-OG 2.96Å; G238-S256 VanDerWaalsContact O-OG 3.14Å; L239-S256 WeakPolarHBondContact CA-OG 3.2Å; D240-S256 PolarHBondContact N-OG 2.92Å; D240-S256 VanDerWaalsContact OD2-CB 3.27Å; D240-S256 WeakPolarHBondContact OD2-CB 3.39Å
257R95.6Very high98Very high52 Ų5235.5 Ų35.520%0.19620%0.199CC..SBendtrans-104.3121.8177.5-172.3158.1177.3172-5.2111.5P68 M237 L239 T255 I260P68-R257 PolarHBondContact O-NH2 2.79Å; M237-R257 VanDerWaalsContact O-CD 3.31Å; M237-R257 WeakPolarHBondContact O-CD 3.17Å; M237-R257 PolarHBondContact O-NH1 2.83Å; M237-R257 PolarHBondContact SD-NH1 3.2Å; L239-R257 HydrophobicContact CD2-CB 3.62Å; T255-R257 PolarHBondContact O-N 3.5Å; T255-R257 PolarHBondContact OG1-N 2.77Å; T255-R257 PolarHBondContact OG1-O 3.23Å; R257-I260 HydrophobicContact CB-CB 4.49Å; R257-I260 HydrophobicContact CB-CD1 4.1Å; R257-I260 HydrophobicContact CB-CG1 4.41Å; R257-I260 HydrophobicContact CG-CD1 3.89Å; R257-I260 HydrophobicContact CG-CG1 4.28Å; R257-I260 PolarHBondContact O-N 3.49Å; R257-I260 VanDerWaalsContact O-N 3.13Å
258P95.5Very high98Very high117 Ų11737 Ų3776%0.7621%0.214SC*.THydrogen-bonded Turntrans-54.6140.7175.3-27.335.6000112.8I260P258-I260 PolarHBondContact O-N 3Å
259G96.1Very high97.8Very high17 Ų1738.5 Ų38.518%0.17522%0.218CC..THydrogen-bonded Turntrans80.1-6.3-177.200000114.5P82 H83 I84 Y261P82-G259 WeakPolarHBondContact O-CA 3.47Å; H83-G259 CarbonylContact C-O 3.25Å; H83-G259 WeakPolarHBondContact CA-O 3.16Å; I84-G259 PolarHBondContact N-O 2.85Å; G259-Y261 WeakPolarHBondContact O-CE2 3.28Å
260I98.2Very high97.6Very high1 Ų138.4 Ų38.41%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-112.8132.2176.3-51.2-176.9000110.3F64 P70 I84 I86 M237 L239 T255 R257 P258F64-I260 HydrophobicContact CE1-CD1 4.04Å; F64-I260 HydrophobicContact CZ-CD1 4.26Å; F64-I260 HydrophobicContact CZ-CG2 4.31Å; P70-I260 HydrophobicContact CB-CD1 4.1Å; P70-I260 HydrophobicContact CB-CG1 4.18Å; P70-I260 HydrophobicContact CG-CD1 4.29Å; P70-I260 HydrophobicContact CG-CG1 4.27Å; I84-I260 WeakPolarHBondContact O-CA 3.37Å; I86-I260 HydrophobicContact CD1-CG2 3.74Å; I86-I260 HydrophobicContact CG1-CG2 4.18Å; M237-I260 HydrophobicContact CE-CD1 3.66Å; L239-I260 HydrophobicContact CD1-CD1 4.45Å; L239-I260 HydrophobicContact CD1-CG2 4.23Å; L239-I260 HydrophobicContact CD2-CB 4.37Å; L239-I260 HydrophobicContact CD2-CD1 4.39Å; L239-I260 HydrophobicContact CD2-CG2 4.19Å; T255-I260 WeakPolarHBondContact CB-O 3.22Å; T255-I260 HydrophobicContact CG2-CG2 4.17Å; T255-I260 WeakPolarHBondContact CG2-O 3.17Å; T255-I260 PolarHBondContact N-O 2.8Å; T255-I260 VanDerWaalsContact N-O 3.11Å; T255-I260 PolarHBondContact OG1-O 2.88Å; R257-I260 HydrophobicContact CB-CB 4.49Å; R257-I260 HydrophobicContact CB-CD1 4.1Å; R257-I260 HydrophobicContact CB-CG1 4.41Å; R257-I260 HydrophobicContact CG-CD1 3.89Å; R257-I260 HydrophobicContact CG-CG1 4.28Å; R257-I260 PolarHBondContact O-N 3.49Å; R257-I260 VanDerWaalsContact O-N 3.13Å; P258-I260 PolarHBondContact O-N 3Å
261Y98.8Very high97.5Very high17 Ų1737.4 Ų37.47%0.06722%0.216CC..EExtended strand (participates in β ladder)trans-128.4160.1-176.1-46.5-82000110.4H83 I84 I86 Q253 N254 G259 L283 L287H83-Y261 HydrophobicContact CB-CE2 3.83Å; H83-Y261 AromaticContact ND1-CE2 3.56Å; H83-Y261 AromaticContact ND1-CZ 3.67Å; H83-Y261 PolarHBondContact ND1-OH 3.44Å; I84-Y261 WeakPolarHBondContact O-CD2 3.27Å; I84-Y261 PolarHBondContact O-N 2.9Å; I86-Y261 PolarHBondContact N-O 3.09Å; Q253-Y261 VanDerWaalsContact O-CA 3.25Å; Q253-Y261 WeakPolarHBondContact O-CA 3.3Å; Q253-Y261 WeakPolarHBondContact O-CB 3.41Å; N254-Y261 WeakPolarHBondContact OD1-CD1 3.33Å; N254-Y261 WeakPolarHBondContact OD1-CE1 3.39Å; G259-Y261 WeakPolarHBondContact O-CE2 3.28Å; Y261-L283 HydrophobicContact CD1-CD1 3.85Å; Y261-L283 HydrophobicContact CE1-CD1 4.34Å; Y261-L283 HydrophobicContact CG-CD1 4.09Å; Y261-L283 HydrophobicContact CG-CD2 4.06Å; Y261-L287 HydrophobicContact CD2-CD1 3.96Å; Y261-L287 HydrophobicContact CE1-CD1 4.4Å; Y261-L287 HydrophobicContact CE1-CD2 3.91Å; Y261-L287 HydrophobicContact CE2-CD1 3.58Å; Y261-L287 HydrophobicContact CE2-CD2 4.18Å; Y261-L287 WeakPolarHBondContact OH-CD2 3.36Å
262A98.8Very high97.5Very high0 Ų034.8 Ų34.80%021%0.205CC..EExtended strand (participates in β ladder)trans-142142.6171.100000113I86 I247 V249 Q253 T255 V266 C267I86-A262 HydrophobicContact CB-CB 4.18Å; I86-A262 VanDerWaalsContact O-CA 3.26Å; I86-A262 WeakPolarHBondContact O-CA 3.33Å; I247-A262 HydrophobicContact CB-CB 4.08Å; I247-A262 HydrophobicContact CD1-CB 4.18Å; I247-A262 HydrophobicContact CG2-CB 3.78Å; V249-A262 HydrophobicContact CG1-CB 3.8Å; Q253-A262 WeakPolarHBondContact CB-O 3.35Å; Q253-A262 PolarHBondContact NE2-O 2.98Å; Q253-A262 PolarHBondContact O-N 2.83Å; Q253-A262 VanDerWaalsContact O-N 3.15Å; T255-A262 HydrophobicContact CG2-CB 4.26Å; A262-V266 HydrophobicContact CB-CG1 4.14Å; A262-C267 VanDerWaalsContact C-SG 3.56Å; A262-C267 VanDerWaalsContact CB-SG 3.59Å
263V98.9Very high97.4Very high10 Ų1037.9 Ų37.96%0.06123%0.227CC..  trans-140153.9178.6-59.50000112.3L85 I86 A87 Q253 A279 L283L85-V263 HydrophobicContact CD1-CB 4.37Å; L85-V263 HydrophobicContact CD1-CG1 3.94Å; L85-V263 HydrophobicContact CD1-CG2 3.91Å; L85-V263 HydrophobicContact CD2-CG2 4.08Å; L85-V263 HydrophobicContact CG-CG2 4.36Å; I86-V263 PolarHBondContact O-N 2.87Å; I86-V263 VanDerWaalsContact O-N 3.17Å; A87-V263 HydrophobicContact CB-CG2 4.08Å; Q253-V263 HydrophobicContact CB-CG1 4.05Å; Q253-V263 HydrophobicContact CG-CG1 3.9Å; V263-A279 HydrophobicContact CB-CB 4.37Å; V263-A279 HydrophobicContact CG1-CB 4.15Å; V263-L283 HydrophobicContact CG1-CD2 4.18Å
264G98.6Very high97.4Very high9 Ų941.9 Ų41.99%0.09325%0.254CS..G310 helixtrans82.6-154.8174.100000113.7V266 C267G264-V266 PolarHBondContact O-N 2.74Å; G264-C267 WeakPolarHBondContact O-CB 3.39Å; G264-C267 PolarHBondContact O-N 3.41Å
265D98.5Very high97.4Very high31 Ų3140.2 Ų40.217%0.16625%0.245CC..G310 helixtrans-55.3-29-171.9-75.322.5000114.1R225 C267 G268 L271R225-D265 IonicContact CZ-OD2 3.56Å; R225-D265 IonicContact NE-OD2 3.48Å; R225-D265 PolarHBondContact NE-OD2 3.49Å; R225-D265 IonicContact NH2-OD2 2.81Å; D265-C267 PolarHBondContact O-N 2.81Å; D265-C267 VanDerWaalsContact O-N 3.1Å; D265-G268 PolarHBondContact O-N 2.84Å; D265-L271 HydrophobicContact CB-CD2 4.49Å; D265-L271 HydrophobicContact CB-CG 4.38Å; D265-L271 WeakPolarHBondContact OD1-CA 3.45Å; D265-L271 WeakPolarHBondContact OD1-CB 3.4Å
266V98.6Very high97.4Very high0 Ų040.9 Ų40.90%025%0.252CS..G310 helixtrans-61.3-20.2178.976.20000112.8I86 G89 P227 T229 H246 I247 A262 G264I86-V266 HydrophobicContact CG2-CG2 4.45Å; G89-V266 WeakPolarHBondContact O-CA 3.27Å; G89-V266 PolarHBondContact O-N 3.27Å; P227-V266 HydrophobicContact CB-CG2 4.33Å; T229-V266 HydrophobicContact CG2-CG2 3.49Å; T229-V266 VanDerWaalsContact CG2-CG2 3.49Å; H246-V266 CarbonylContact C-O 3.57Å; H246-V266 VanDerWaalsContact CA-O 3.26Å; H246-V266 WeakPolarHBondContact CA-O 3.5Å; H246-V266 WeakPolarHBondContact CB-O 3.47Å; I247-V266 HydrophobicContact CD1-CG2 3.87Å; I247-V266 HydrophobicContact CG1-CG2 4.16Å; I247-V266 PolarHBondContact N-O 2.82Å; A262-V266 HydrophobicContact CB-CG1 4.14Å; G264-V266 PolarHBondContact O-N 2.74Å
267C98.4Very high97.6Very high20 Ų2041.9 Ų41.914%0.13525%0.252CS..G310 helixtrans-95.4-2.8177.3-58.20000113.7V249 A262 G264 D265 K269V249-C267 HydrophobicContact CG2-CB 4.22Å; A262-C267 VanDerWaalsContact C-SG 3.56Å; A262-C267 VanDerWaalsContact CB-SG 3.59Å; G264-C267 WeakPolarHBondContact O-CB 3.39Å; G264-C267 PolarHBondContact O-N 3.41Å; D265-C267 PolarHBondContact O-N 2.81Å; D265-C267 VanDerWaalsContact O-N 3.1Å; C267-K269 VanDerWaalsContact C-N 3.26Å; C267-K269 PolarHBondContact O-N 3.3Å; C267-K269 VanDerWaalsContact O-N 3.14Å
268G96.7Very high97.7Very high33 Ų3340.9 Ų40.934%0.3426%0.256SS..  trans70.87.2173.200000116.8H246 D265H246-G268 WeakPolarHBondContact CD2-CA 3.48Å; H246-G268 PolarHBondContact CD2-N 2.94Å; D265-G268 PolarHBondContact O-N 2.84Å
269K94.3Very high97.9Very high119 Ų11935.4 Ų35.452%0.51722%0.22SC..SBendtrans-117.4124.8-177.1-172.2179.6-177-177.90112C267 Y298C267-K269 VanDerWaalsContact C-N 3.26Å; C267-K269 PolarHBondContact O-N 3.3Å; C267-K269 VanDerWaalsContact O-N 3.14Å; K269-Y298 HydrophobicContact CD-CD1 3.79Å; K269-Y298 HydrophobicContact CD-CE1 3.98Å; K269-Y298 HydrophobicContact CD-CG 4.17Å; K269-Y298 HydrophobicContact CG-CD1 3.97Å; K269-Y298 HydrophobicContact CG-CE1 4.07Å
270A94.6Very high98Very high38 Ų3835.5 Ų35.531%0.31422%0.221SC..SBendtrans4866.5176.900000112.8L272 V275 Y298 I301A270-L272 PolarHBondContact O-N 3.31Å; A270-V275 HydrophobicContact CB-CG1 4.07Å; A270-V275 HydrophobicContact CB-CG2 4.24Å; A270-V275 WeakPolarHBondContact O-CG1 3.44Å; A270-Y298 HydrophobicContact CB-CD1 4.16Å; A270-Y298 HydrophobicContact CB-CE1 4.32Å; A270-I301 HydrophobicContact CB-CD1 3.93Å
271L96.8Very high98Very high52 Ų5243.6 Ų43.627%0.27225%0.252SS..  trans-69.268.6-173-66.171.3000111.9R225 D265R225-L271 HydrophobicContact CB-CD2 4.32Å; D265-L271 HydrophobicContact CB-CD2 4.49Å; D265-L271 HydrophobicContact CB-CG 4.38Å; D265-L271 WeakPolarHBondContact OD1-CA 3.45Å; D265-L271 WeakPolarHBondContact OD1-CB 3.4Å
272L97.8Very high98Very high52 Ų5247.2 Ų47.227%0.27227%0.268SS..  trans-132.8138.3-174.7-63.8174.5000109.8A270 V275 A276 I301A270-L272 PolarHBondContact O-N 3.31Å; L272-V275 HydrophobicContact CB-CB 4.25Å; L272-V275 HydrophobicContact CB-CG2 3.88Å; L272-V275 HydrophobicContact CD1-CG2 4.31Å; L272-V275 WeakPolarHBondContact O-CB 3.46Å; L272-V275 PolarHBondContact O-N 2.82Å; L272-A276 PolarHBondContact O-N 3.46Å; L272-A276 VanDerWaalsContact O-N 3.13Å; L272-I301 HydrophobicContact CD1-CG2 3.9Å
273T98.1Very high98Very high107 Ų10747.5 Ų47.566%0.65627%0.269SS*.Hα-helixtrans-54.6-47.1179.5-69.40000112.9V275 A276 I277T273-V275 VanDerWaalsContact C-N 3.25Å; T273-V275 PolarHBondContact O-N 3.08Å; T273-A276 PolarHBondContact O-N 3.05Å; T273-I277 HydrophobicContact CG2-CD1 3.68Å; T273-I277 HydrophobicContact CG2-CG1 4.42Å; T273-I277 WeakPolarHBondContact O-CG1 3.46Å; T273-I277 PolarHBondContact O-N 2.92Å
274P98.4Very high98Very high92 Ų9249.1 Ų49.160%0.59728%0.284SS*.Hα-helixtrans-61.9-31.2178-24.635.7000113.9A278P274-A278 VanDerWaalsContact O-CB 3.26Å; P274-A278 WeakPolarHBondContact O-CB 3.39Å; P274-A278 PolarHBondContact O-N 3.5Å
275V98.6Very high98Very high8 Ų851.8 Ų51.85%0.04829%0.294CS..Hα-helixtrans-70.1-47.7179173.50000110.4A270 L272 T273 I277 A278 A279 L296 Y298 I301A270-V275 HydrophobicContact CB-CG1 4.07Å; A270-V275 HydrophobicContact CB-CG2 4.24Å; A270-V275 WeakPolarHBondContact O-CG1 3.44Å; L272-V275 HydrophobicContact CB-CB 4.25Å; L272-V275 HydrophobicContact CB-CG2 3.88Å; L272-V275 HydrophobicContact CD1-CG2 4.31Å; L272-V275 WeakPolarHBondContact O-CB 3.46Å; L272-V275 PolarHBondContact O-N 2.82Å; T273-V275 VanDerWaalsContact C-N 3.25Å; T273-V275 PolarHBondContact O-N 3.08Å; V275-I277 VanDerWaalsContact C-N 3.32Å; V275-I277 PolarHBondContact O-N 3.48Å; V275-A278 PolarHBondContact O-N 2.8Å; V275-A279 WeakPolarHBondContact O-CB 3.47Å; V275-A279 PolarHBondContact O-N 3.3Å; V275-L296 HydrophobicContact CG1-CD2 3.86Å; V275-Y298 HydrophobicContact CG1-CD1 4.28Å; V275-Y298 HydrophobicContact CG1-CE1 3.57Å; V275-I301 HydrophobicContact CG1-CD1 4.43Å; V275-I301 HydrophobicContact CG2-CD1 3.76Å; V275-I301 HydrophobicContact CG2-CG1 4.33Å; V275-I301 HydrophobicContact CG2-CG2 3.71Å
276A98.7Very high98Very high29 Ų2952.1 Ų52.124%0.2429%0.293CS..Hα-helixtrans-59.1-44175.700000111.6L272 T273 G280L272-A276 PolarHBondContact O-N 3.46Å; L272-A276 VanDerWaalsContact O-N 3.13Å; T273-A276 PolarHBondContact O-N 3.05Å; A276-G280 PolarHBondContact O-N 2.99Å
277I98.8Very high98Very high75 Ų7553.9 Ų53.939%0.38530%0.302SS..Hα-helixtrans-61.8-47.5176.6-68.1168.5000111.2T273 V275 G280 R281T273-I277 HydrophobicContact CG2-CD1 3.68Å; T273-I277 HydrophobicContact CG2-CG1 4.42Å; T273-I277 WeakPolarHBondContact O-CG1 3.46Å; T273-I277 PolarHBondContact O-N 2.92Å; V275-I277 VanDerWaalsContact C-N 3.32Å; V275-I277 PolarHBondContact O-N 3.48Å; I277-G280 PolarHBondContact O-N 3.25Å; I277-R281 HydrophobicContact CG2-CG 4.48Å; I277-R281 WeakPolarHBondContact O-CB 3.44Å; I277-R281 VanDerWaalsContact O-CG 3.31Å; I277-R281 WeakPolarHBondContact O-CG 3.43Å; I277-R281 PolarHBondContact O-N 3.01Å
278A98.7Very high98Very high32 Ų3259.9 Ų59.926%0.26433%0.326SS..Hα-helixtrans-66.5-44.1-177.600000111.9P274 V275 R281 K282 L296P274-A278 VanDerWaalsContact O-CB 3.26Å; P274-A278 WeakPolarHBondContact O-CB 3.39Å; P274-A278 PolarHBondContact O-N 3.5Å; V275-A278 PolarHBondContact O-N 2.8Å; A278-R281 PolarHBondContact O-N 3.45Å; A278-K282 WeakPolarHBondContact O-CB 3.33Å; A278-K282 VanDerWaalsContact O-CG 3.28Å; A278-K282 WeakPolarHBondContact O-CG 3.38Å; A278-K282 PolarHBondContact O-N 3.06Å; A278-L296 HydrophobicContact CB-CD1 3.89Å; A278-L296 HydrophobicContact CB-CD2 4.24Å
279A98.8Very high98.1Very high1 Ų163.1 Ų63.11%0.00833%0.332CS..Hα-helixtrans-61.4-46.2175.600000111.4Q253 V263 V275 R281 K282 L283 L296Q253-A279 HydrophobicContact CG-CB 4.49Å; V263-A279 HydrophobicContact CB-CB 4.37Å; V263-A279 HydrophobicContact CG1-CB 4.15Å; V275-A279 WeakPolarHBondContact O-CB 3.47Å; V275-A279 PolarHBondContact O-N 3.3Å; A279-R281 PolarHBondContact O-N 3.49Å; A279-K282 PolarHBondContact O-N 2.75Å; A279-L283 WeakPolarHBondContact O-CB 3.4Å; A279-L283 PolarHBondContact O-N 3.29Å; A279-L296 HydrophobicContact CB-CB 4.43Å; A279-L296 HydrophobicContact CB-CD2 4.04Å
280G98.8Very high98.1Very high20 Ų2063.4 Ų63.421%0.20634%0.339CS..Hα-helixtrans-61.8-43.1176.900000113.4A276 I277 L283 A284A276-G280 PolarHBondContact O-N 2.99Å; I277-G280 PolarHBondContact O-N 3.25Å; G280-L283 PolarHBondContact O-N 2.81Å; G280-A284 PolarHBondContact O-N 3.4Å
281R98.8Very high98.3Very high171 Ų17166.5 Ų66.565%0.64535%0.346SS*.Hα-helixtrans-63.2-46.1175.1-75.1174.3176.3167.5-0.6111.9I277 A278 A279 L283 A284 H285I277-R281 HydrophobicContact CG2-CG 4.48Å; I277-R281 WeakPolarHBondContact O-CB 3.44Å; I277-R281 VanDerWaalsContact O-CG 3.31Å; I277-R281 WeakPolarHBondContact O-CG 3.43Å; I277-R281 PolarHBondContact O-N 3.01Å; A278-R281 PolarHBondContact O-N 3.45Å; A279-R281 PolarHBondContact O-N 3.49Å; R281-L283 VanDerWaalsContact C-N 3.31Å; R281-L283 PolarHBondContact O-N 3.25Å; R281-A284 PolarHBondContact O-N 3.31Å; R281-H285 PolarHBondContact O-CD2 3.23Å; R281-H285 PolarHBondContact O-N 3.36Å
282K98.8Very high98.3Very high92 Ų9271.3 Ų71.340%0.436%0.364SS..Hα-helixtrans-62.2-39.8177.7-73.2-71.9-174.9175.60111.7A278 A279 R286 S294A278-K282 WeakPolarHBondContact O-CB 3.33Å; A278-K282 VanDerWaalsContact O-CG 3.28Å; A278-K282 WeakPolarHBondContact O-CG 3.38Å; A278-K282 PolarHBondContact O-N 3.06Å; A279-K282 PolarHBondContact O-N 2.75Å; K282-R286 PolarHBondContact O-N 3.31Å; K282-S294 WeakPolarHBondContact CA-OG 3.5Å; K282-S294 VanDerWaalsContact CD-OG 3.26Å; K282-S294 WeakPolarHBondContact CD-OG 3.45Å; K282-S294 WeakPolarHBondContact O-CB 3.46Å; K282-S294 PolarHBondContact O-OG 3.35Å
283L98.9Very high98.3Very high7 Ų775.4 Ų75.44%0.03739%0.386CS..Hα-helixtrans-61.5-48.4173.3178.763000111.5L85 Y261 V263 A279 G280 R281 H285 R286 L287L85-L283 HydrophobicContact CD1-CD2 3.7Å; L85-L283 HydrophobicContact CD2-CD2 4.38Å; Y261-L283 HydrophobicContact CD1-CD1 3.85Å; Y261-L283 HydrophobicContact CE1-CD1 4.34Å; Y261-L283 HydrophobicContact CG-CD1 4.09Å; Y261-L283 HydrophobicContact CG-CD2 4.06Å; V263-L283 HydrophobicContact CG1-CD2 4.18Å; A279-L283 WeakPolarHBondContact O-CB 3.4Å; A279-L283 PolarHBondContact O-N 3.29Å; G280-L283 PolarHBondContact O-N 2.81Å; R281-L283 VanDerWaalsContact C-N 3.31Å; R281-L283 PolarHBondContact O-N 3.25Å; L283-H285 PolarHBondContact O-N 3.37Å; L283-R286 WeakPolarHBondContact O-CA 3.36Å; L283-R286 WeakPolarHBondContact O-CB 3.46Å; L283-R286 PolarHBondContact O-N 2.92Å; L283-L287 HydrophobicContact CD1-CD1 3.81Å; L283-L287 HydrophobicContact CD1-CD2 4.32Å; L283-L287 HydrophobicContact CD1-CG 3.9Å; L283-L287 HydrophobicContact CG-CD1 3.93Å; L283-L287 HydrophobicContact CG-CG 4.31Å; L283-L287 WeakPolarHBondContact O-CG 3.49Å; L283-L287 PolarHBondContact O-N 3.34Å
284A98.8Very high98.4Very high44 Ų4470.9 Ų70.936%0.36436%0.359SS..Hα-helixtrans-58.4-45.4178.400000112.2G280 R281 R286 L287 F288G280-A284 PolarHBondContact O-N 3.4Å; R281-A284 PolarHBondContact O-N 3.31Å; A284-R286 VanDerWaalsContact C-N 3.28Å; A284-R286 PolarHBondContact O-N 3.24Å; A284-L287 PolarHBondContact O-N 2.91Å; A284-F288 HydrophobicContact CB-CD2 4.38Å; A284-F288 WeakPolarHBondContact O-CB 3.19Å; A284-F288 WeakPolarHBondContact O-CD2 2.98Å; A284-F288 PolarHBondContact O-N 3.07Å
285H98.8Very high98.4Very high64 Ų6470.1 Ų70.130%0.29635%0.346SS..Hα-helixtrans-59.7-37.7173.7-71.5-56.4000112.8R281 L283 E289 K291R281-H285 PolarHBondContact O-CD2 3.23Å; R281-H285 PolarHBondContact O-N 3.36Å; L283-H285 PolarHBondContact O-N 3.37Å; H285-E289 IonicContact CE1-OE1 3.49Å; H285-E289 PolarHBondContact CE1-OE1 3.31Å; H285-E289 IonicContact CE1-OE2 3.99Å; H285-E289 IonicContact CG-OE2 3.97Å; H285-E289 IonicContact ND1-OE1 3.63Å; H285-E289 PolarHBondContact ND1-OE1 3.01Å; H285-E289 IonicContact ND1-OE2 3.01Å; H285-E289 PolarHBondContact ND1-OE2 3.4Å; H285-E289 CarbonylContact O-C 3.6Å; H285-E289 WeakPolarHBondContact O-CA 3.17Å; H285-E289 WeakPolarHBondContact O-CB 3.34Å; H285-E289 PolarHBondContact O-N 3.49Å; H285-K291 HydrophobicContact CB-CD 4.19Å; H285-K291 PolarHBondContact O-N 3.29Å
286R98.7Very high98.4Very high39 Ų3971.3 Ų71.315%0.14735%0.353CS..Hα-helixtrans-66-47.3178.3-174.217063.886.9-6.5111.7F252 N254 K282 L283 A284 K291F252-R286 PolarHBondContact O-NH2 3.46Å; N254-R286 PolarHBondContact OD1-NH1 3.04Å; N254-R286 PolarHBondContact OD1-NH2 3.47Å; K282-R286 PolarHBondContact O-N 3.31Å; L283-R286 WeakPolarHBondContact O-CA 3.36Å; L283-R286 WeakPolarHBondContact O-CB 3.46Å; L283-R286 PolarHBondContact O-N 2.92Å; A284-R286 VanDerWaalsContact C-N 3.28Å; A284-R286 PolarHBondContact O-N 3.24Å; R286-K291 WeakPolarHBondContact CA-O 3.34Å
287L98.5Very high98.3Very high37 Ų3774 Ų7419%0.19436%0.363CS..Hα-helixtrans-76.3-38.1-175.2-60.6-178.4000112.8H83 Y261 L283 A284H83-L287 HydrophobicContact CB-CD1 4.18Å; Y261-L287 HydrophobicContact CD2-CD1 3.96Å; Y261-L287 HydrophobicContact CE1-CD1 4.4Å; Y261-L287 HydrophobicContact CE1-CD2 3.91Å; Y261-L287 HydrophobicContact CE2-CD1 3.58Å; Y261-L287 HydrophobicContact CE2-CD2 4.18Å; Y261-L287 WeakPolarHBondContact OH-CD2 3.36Å; L283-L287 HydrophobicContact CD1-CD1 3.81Å; L283-L287 HydrophobicContact CD1-CD2 4.32Å; L283-L287 HydrophobicContact CD1-CG 3.9Å; L283-L287 HydrophobicContact CG-CD1 3.93Å; L283-L287 HydrophobicContact CG-CG 4.31Å; L283-L287 WeakPolarHBondContact O-CG 3.49Å; L283-L287 PolarHBondContact O-N 3.34Å; A284-L287 PolarHBondContact O-N 2.91Å
288F98.5Very high98.3Very high145 Ų14572.5 Ų72.564%0.63635%0.353SS*.Hα-helixtrans-115.8-6.8-167.2-53.8-65.2000114.8H83 A284H83-F288 HydrophobicContact CB-CZ 4.33Å; H83-F288 AromaticContact CD2-CE1 3.76Å; A284-F288 HydrophobicContact CB-CD2 4.38Å; A284-F288 WeakPolarHBondContact O-CB 3.19Å; A284-F288 WeakPolarHBondContact O-CD2 2.98Å; A284-F288 PolarHBondContact O-N 3.07Å
289E98.3Very high98Very high101 Ų10173.7 Ų73.747%0.47236%0.359SS..SBendtrans-122.913.6174.9-63.8177.8-163.600113.4H285 K291H285-E289 IonicContact CE1-OE1 3.49Å; H285-E289 PolarHBondContact CE1-OE1 3.31Å; H285-E289 IonicContact CE1-OE2 3.99Å; H285-E289 IonicContact CG-OE2 3.97Å; H285-E289 IonicContact ND1-OE1 3.63Å; H285-E289 PolarHBondContact ND1-OE1 3.01Å; H285-E289 IonicContact ND1-OE2 3.01Å; H285-E289 PolarHBondContact ND1-OE2 3.4Å; H285-E289 CarbonylContact O-C 3.6Å; H285-E289 WeakPolarHBondContact O-CA 3.17Å; H285-E289 WeakPolarHBondContact O-CB 3.34Å; H285-E289 PolarHBondContact O-N 3.49Å; E289-K291 HydrophobicContact CB-CG 4.31Å; E289-K291 PolarHBondContact O-N 2.65Å; E289-K291 VanDerWaalsContact O-N 3.1Å; E289-K291 WeakPolarHBondContact OE2-CE 3.34Å; E289-K291 IonicContact OE2-NZ 2.65Å; E289-K291 PolarHBondContact OE2-NZ 3.33Å
290N94.8Very high97.8Very high125 Ų12575.5 Ų75.567%0.66837%0.372SS*.  trans56.625.5179.8-164.829.8000114.1K292N290-K292 PolarHBondContact O-N 3.02Å; N290-K292 VanDerWaalsContact O-N 3.12Å
291K98.1Very high97.7Very high104 Ų10476.6 Ų76.645%0.45237%0.372SS..  trans-85.476.4175.2-64.7-171.1-179.7143.70110.2H285 R286 E289 D293 S294H285-K291 HydrophobicContact CB-CD 4.19Å; H285-K291 PolarHBondContact O-N 3.29Å; R286-K291 WeakPolarHBondContact CA-O 3.34Å; E289-K291 HydrophobicContact CB-CG 4.31Å; E289-K291 PolarHBondContact O-N 2.65Å; E289-K291 VanDerWaalsContact O-N 3.1Å; E289-K291 WeakPolarHBondContact OE2-CE 3.34Å; E289-K291 IonicContact OE2-NZ 2.65Å; E289-K291 PolarHBondContact OE2-NZ 3.33Å; K291-D293 PolarHBondContact O-N 3.26Å; K291-D293 VanDerWaalsContact O-N 3.13Å; K291-S294 WeakPolarHBondContact O-CB 3.41Å; K291-S294 PolarHBondContact O-N 3.41Å
292K96.9Very high97.7Very high152 Ų15270.5 Ų70.566%0.66136%0.355SS*.THydrogen-bonded Turntrans-52.7-37.2-171.7-65.3-176.1179-179.30114.1F252 N290 S294F252-K292 WeakPolarHBondContact CE1-O 3.42Å; N290-K292 PolarHBondContact O-N 3.02Å; N290-K292 VanDerWaalsContact O-N 3.12Å; K292-S294 VanDerWaalsContact C-N 3.32Å; K292-S294 PolarHBondContact O-N 3.47Å
293D98.3Very high97.7Very high138 Ų13867.9 Ų67.974%0.73835%0.347SS*.THydrogen-bonded Turntrans-87.94.9-179-52.7-49.8000113.9K291 K295K291-D293 PolarHBondContact O-N 3.26Å; K291-D293 VanDerWaalsContact O-N 3.13Å; D293-K295 PolarHBondContact O-N 3.46Å
294S98.6Very high97.7Very high12 Ų1269.2 Ų69.28%0.08436%0.355CS..  trans-71.3101.5-178.9179.50000111.1K282 K291 K292K282-S294 WeakPolarHBondContact CA-OG 3.5Å; K282-S294 VanDerWaalsContact CD-OG 3.26Å; K282-S294 WeakPolarHBondContact CD-OG 3.45Å; K282-S294 WeakPolarHBondContact O-CB 3.46Å; K282-S294 PolarHBondContact O-OG 3.35Å; K291-S294 WeakPolarHBondContact O-CB 3.41Å; K291-S294 PolarHBondContact O-N 3.41Å; K292-S294 VanDerWaalsContact C-N 3.32Å; K292-S294 PolarHBondContact O-N 3.47Å
295K98.6Very high97.7Very high76 Ų7667.1 Ų67.133%0.3334%0.338SS..  trans-135.9165.5173.957.4-177.4168.4-176.60111.9E251 F252 D293E251-K295 HydrophobicContact CB-CD 4.43Å; E251-K295 HydrophobicContact CG-CD 4.17Å; E251-K295 WeakPolarHBondContact O-CB 3.45Å; E251-K295 IonicContact OE1-NZ 2.8Å; E251-K295 PolarHBondContact OE1-NZ 3.08Å; E251-K295 WeakPolarHBondContact OE2-CD 3.4Å; E251-K295 IonicContact OE2-NZ 3.3Å; E251-K295 PolarHBondContact OE2-NZ 3.25Å; F252-K295 HydrophobicContact CD1-CB 3.83Å; F252-K295 HydrophobicContact CD1-CD 4.23Å; F252-K295 HydrophobicContact CD1-CG 4.41Å; F252-K295 HydrophobicContact CE1-CB 3.99Å; F252-K295 HydrophobicContact CE1-CD 3.77Å; F252-K295 HydrophobicContact CE1-CG 4.07Å; F252-K295 HydrophobicContact CE2-CD 4.4Å; F252-K295 HydrophobicContact CZ-CD 3.86Å; D293-K295 PolarHBondContact O-N 3.46Å
296L98.6Very high97.7Very high34 Ų3468 Ų6818%0.17834%0.341CS..  trans-88.3129.6171178.661.5000109.5V275 A278 A279 Y298V275-L296 HydrophobicContact CG1-CD2 3.86Å; A278-L296 HydrophobicContact CB-CD1 3.89Å; A278-L296 HydrophobicContact CB-CD2 4.24Å; A279-L296 HydrophobicContact CB-CB 4.43Å; A279-L296 HydrophobicContact CB-CD2 4.04Å; L296-Y298 HydrophobicContact CB-CD2 4.33Å; L296-Y298 HydrophobicContact CB-CE2 4Å; L296-Y298 HydrophobicContact CD2-CD2 4.29Å; L296-Y298 HydrophobicContact CD2-CE1 4.16Å; L296-Y298 HydrophobicContact CD2-CE2 3.89Å; L296-Y298 HydrophobicContact CG-CD2 4.15Å; L296-Y298 HydrophobicContact CG-CE2 4.06Å; L296-Y298 WeakPolarHBondContact O-CD2 3.38Å; L296-Y298 PolarHBondContact O-N 3.35Å
297D97.8Very high97.7Very high84 Ų8466.2 Ų66.245%0.44934%0.335SS..  trans-83.1111.9165.3174.610.4000109.3S299 K386D297-S299 PolarHBondContact O-N 3.48Å; D297-S299 VanDerWaalsContact OD1-CB 3.23Å; D297-S299 WeakPolarHBondContact OD1-CB 3.41Å; D297-S299 PolarHBondContact OD1-N 2.64Å; D297-S299 PolarHBondContact OD1-OG 2.89Å; D297-S299 PolarHBondContact OD2-OG 3.01Å; D297-K386 IonicContact OD1-NZ 2.72Å; D297-K386 IonicContact OD2-NZ 3.66Å; D297-K386 PolarHBondContact OD2-NZ 3.13Å
298Y97.4Very high97.7Very high44 Ų4464.8 Ų64.817%0.17333%0.327CS..  trans-79.1-0.3-179.4-79.5-97.8000114Q253 K269 A270 V275 L296 I301Q253-Y298 PolarHBondContact OE1-OH 3.37Å; K269-Y298 HydrophobicContact CD-CD1 3.79Å; K269-Y298 HydrophobicContact CD-CE1 3.98Å; K269-Y298 HydrophobicContact CD-CG 4.17Å; K269-Y298 HydrophobicContact CG-CD1 3.97Å; K269-Y298 HydrophobicContact CG-CE1 4.07Å; A270-Y298 HydrophobicContact CB-CD1 4.16Å; A270-Y298 HydrophobicContact CB-CE1 4.32Å; V275-Y298 HydrophobicContact CG1-CD1 4.28Å; V275-Y298 HydrophobicContact CG1-CE1 3.57Å; L296-Y298 HydrophobicContact CB-CD2 4.33Å; L296-Y298 HydrophobicContact CB-CE2 4Å; L296-Y298 HydrophobicContact CD2-CD2 4.29Å; L296-Y298 HydrophobicContact CD2-CE1 4.16Å; L296-Y298 HydrophobicContact CD2-CE2 3.89Å; L296-Y298 HydrophobicContact CG-CD2 4.15Å; L296-Y298 HydrophobicContact CG-CE2 4.06Å; L296-Y298 WeakPolarHBondContact O-CD2 3.38Å; L296-Y298 PolarHBondContact O-N 3.35Å; Y298-I301 HydrophobicContact CD1-CD1 3.85Å; Y298-I301 HydrophobicContact CG-CD1 4.35Å; Y298-I301 WeakPolarHBondContact O-CD1 3.44Å
299S93.6Very high97.7Very high57 Ų5758.5 Ų58.540%0.39930%0.301SS..THydrogen-bonded Turntrans-77.9145.8173.374.80000111.7D297 I301 K386D297-S299 PolarHBondContact O-N 3.48Å; D297-S299 VanDerWaalsContact OD1-CB 3.23Å; D297-S299 WeakPolarHBondContact OD1-CB 3.41Å; D297-S299 PolarHBondContact OD1-N 2.64Å; D297-S299 PolarHBondContact OD1-OG 2.89Å; D297-S299 PolarHBondContact OD2-OG 3.01Å; S299-I301 VanDerWaalsContact C-N 3.29Å; S299-I301 PolarHBondContact O-N 3.19Å; S299-K386 PolarHBondContact O-NZ 3.35Å
300S93.4Very high97.7Very high40 Ų4054 Ų5428%0.2828%0.28SS..THydrogen-bonded Turntrans55.838.9173.8-47.90000114P302 V314S300-P302 WeakPolarHBondContact O-CD 3.41Å; S300-V314 WeakPolarHBondContact O-CG2 3.49Å
301I98.4Very high97.9Very high42 Ų4248 Ų4822%0.21525%0.248CC..  trans-71.2121.9170.9-67.5165.4000108.2A270 L272 V275 Y298 S299A270-I301 HydrophobicContact CB-CD1 3.93Å; L272-I301 HydrophobicContact CD1-CG2 3.9Å; V275-I301 HydrophobicContact CG1-CD1 4.43Å; V275-I301 HydrophobicContact CG2-CD1 3.76Å; V275-I301 HydrophobicContact CG2-CG1 4.33Å; V275-I301 HydrophobicContact CG2-CG2 3.71Å; Y298-I301 HydrophobicContact CD1-CD1 3.85Å; Y298-I301 HydrophobicContact CG-CD1 4.35Å; Y298-I301 WeakPolarHBondContact O-CD1 3.44Å; S299-I301 VanDerWaalsContact C-N 3.29Å; S299-I301 PolarHBondContact O-N 3.19Å
302P98.6Very high97.9Very high43 Ų4343 Ų4328%0.27923%0.226SC..  trans-74147.7174.630.9-34.2000110.9S300 T313 V314 L378 A382S300-P302 WeakPolarHBondContact O-CD 3.41Å; P302-T313 WeakPolarHBondContact CA-O 3.19Å; P302-V314 HydrophobicContact CB-CB 4.11Å; P302-V314 HydrophobicContact CB-CG2 4.18Å; P302-L378 HydrophobicContact CB-CD2 3.81Å; P302-L378 HydrophobicContact CB-CG 4.2Å; P302-A382 HydrophobicContact CB-CB 3.77Å; P302-A382 HydrophobicContact CG-CB 3.87Å
303T98.5Very high98Very high37 Ų3736.4 Ų36.423%0.22720%0.199CC..EExtended strand (participates in β ladder)trans-140.9146.6173.1-1710000111.3F158 T313 L378F158-T303 HydrophobicContact CE1-CG2 4.25Å; F158-T303 HydrophobicContact CZ-CG2 4.29Å; T303-T313 HydrophobicContact CG2-CG2 3.32Å; T303-T313 PolarHBondContact N-O 3Å; T303-T313 PolarHBondContact O-N 2.78Å; T303-L378 WeakPolarHBondContact O-CD2 3.34Å
304V98.8Very high98.1Very high35 Ų3530 Ų3021%0.21216%0.164CC..EExtended strand (participates in β ladder)trans-118.4135.3174172.10000108F306 I311 D375 L378V304-F306 HydrophobicContact CG1-CD1 4.13Å; V304-F306 HydrophobicContact CG1-CE1 3.86Å; V304-F306 HydrophobicContact CG1-CE2 4.3Å; V304-F306 HydrophobicContact CG1-CG 4.47Å; V304-F306 HydrophobicContact CG1-CZ 3.96Å; V304-I311 CarbonylContact C-O 3.5Å; V304-I311 WeakPolarHBondContact CA-O 3.45Å; V304-I311 WeakPolarHBondContact CG1-O 3.42Å; V304-D375 HydrophobicContact CG1-CB 3.87Å; V304-L378 HydrophobicContact CG2-CD2 3.95Å
305V98.8Very high98.1Very high1 Ų130.7 Ų30.71%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-108.1124.7166.8-178.70000107.2V132 E133 L155 F158 S307 I311V132-V305 HydrophobicContact CG1-CG1 4.3Å; E133-V305 HydrophobicContact CG-CG1 4.02Å; L155-V305 HydrophobicContact CD1-CG1 4.47Å; L155-V305 HydrophobicContact CD1-CG2 4.45Å; F158-V305 HydrophobicContact CE1-CG2 3.76Å; F158-V305 HydrophobicContact CZ-CG2 3.55Å; V305-S307 PolarHBondContact O-N 3.25Å; V305-I311 HydrophobicContact CB-CB 4.15Å; V305-I311 HydrophobicContact CB-CD1 4.36Å; V305-I311 PolarHBondContact N-O 3.28Å; V305-I311 PolarHBondContact O-N 2.84Å
306F98.7Very high98.1Very high82 Ų8229.7 Ų29.736%0.3617%0.172SC..  trans-81.955.7-177.6-63.8-78.5000111.1W2 E133 V304 D375W2-F306 HydrophobicContact CB-CB 4.48Å; W2-F306 HydrophobicContact CD2-CB 4.01Å; W2-F306 AromaticContact CD2-CD1 3.92Å; W2-F306 HydrophobicContact CD2-CD1 3.92Å; W2-F306 HydrophobicContact CD2-CG 4.36Å; W2-F306 AromaticContact CE3-CD1 3.86Å; W2-F306 HydrophobicContact CE3-CD1 3.86Å; W2-F306 HydrophobicContact CG-CB 3.84Å; W2-F306 HydrophobicContact CH2-CD1 4.2Å; W2-F306 HydrophobicContact CZ2-CD1 4.24Å; W2-F306 HydrophobicContact CZ3-CD1 4.02Å; W2-F306 HydrophobicContact CZ3-CE1 4.43Å; W2-F306 PolarHBondContact NE1-O 2.91Å; W2-F306 VanDerWaalsContact NE1-O 3.1Å; E133-F306 HydrophobicContact CG-CB 4.18Å; E133-F306 PolarHBondContact OE1-N 2.92Å; V304-F306 HydrophobicContact CG1-CD1 4.13Å; V304-F306 HydrophobicContact CG1-CE1 3.86Å; V304-F306 HydrophobicContact CG1-CE2 4.3Å; V304-F306 HydrophobicContact CG1-CG 4.47Å; V304-F306 HydrophobicContact CG1-CZ 3.96Å; F306-D375 HydrophobicContact CE1-CB 4.28Å
307S98.6Very high98.1Very high2 Ų228.9 Ų28.91%0.01417%0.168CC..  trans-75.9-176.8168.655.70000111.3W2 V305 P309 I311W2-S307 PolarHBondContact NE1-O 3.28Å; V305-S307 PolarHBondContact O-N 3.25Å; S307-P309 VanDerWaalsContact C-C 3.44Å; S307-P309 CarbonylContact C-O 3.49Å; S307-P309 VanDerWaalsContact C-O 3.25Å; S307-P309 WeakPolarHBondContact CB-O 3.36Å; S307-P309 CarbonylContact O-C 3.45Å; S307-P309 PolarHBondContact OG-O 2.92Å; S307-I311 WeakPolarHBondContact OG-CD1 3.39Å; S307-I311 WeakPolarHBondContact OG-CG1 3.48Å
308H98.1Very high98.1Very high7 Ų728 Ų283%0.03216%0.161CC..SBendtrans-122.4100.2178-61-91.3000108.4W2 E9 N173W2-H308 AromaticContact CD1-CE1 3.42Å; W2-H308 VanDerWaalsContact CD1-CE1 3.42Å; W2-H308 AromaticContact CD1-NE2 3.36Å; W2-H308 AromaticContact NE1-CE1 3.42Å; W2-H308 PolarHBondContact NE1-CE1 3.04Å; W2-H308 AromaticContact NE1-ND1 3.89Å; W2-H308 AromaticContact NE1-NE2 3.6Å; E9-H308 IonicContact OE2-CE1 3.6Å; E9-H308 IonicContact OE2-CG 3.15Å; E9-H308 IonicContact OE2-ND1 3.78Å; E9-H308 PolarHBondContact OE2-ND1 2.89Å; N173-H308 PolarHBondContact ND2-O 2.88Å
309P98.4Very high98.2Very high13 Ų1331.3 Ų31.38%0.08418%0.182CC..SBendcis-76166.9-3.633.8-35.5000112.6S307 S349 Q370S307-P309 VanDerWaalsContact C-C 3.44Å; S307-P309 CarbonylContact C-O 3.49Å; S307-P309 VanDerWaalsContact C-O 3.25Å; S307-P309 WeakPolarHBondContact CB-O 3.36Å; S307-P309 CarbonylContact O-C 3.45Å; S307-P309 PolarHBondContact OG-O 2.92Å; P309-S349 VanDerWaalsContact CD-OG 3.26Å; P309-S349 WeakPolarHBondContact CD-OG 3.25Å; P309-S349 WeakPolarHBondContact CG-OG 3.29Å; P309-Q370 HydrophobicContact CG-CG 4.04Å; P309-Q370 PolarHBondContact O-NE2 2.78Å
310P98.9Very high98.4Very high5 Ų533 Ų333%0.03218%0.183CC..  trans-68.3154.6-175.926.8-33.5000112.8W2 Q370 G371 D375W2-P310 HydrophobicContact CH2-CG 4.37Å; W2-P310 HydrophobicContact CZ2-CB 4.04Å; W2-P310 HydrophobicContact CZ2-CG 4.07Å; P310-Q370 WeakPolarHBondContact O-CA 3.24Å; P310-G371 WeakPolarHBondContact CD-O 3.29Å; P310-G371 WeakPolarHBondContact CG-O 3.33Å; P310-G371 PolarHBondContact O-N 3.43Å; P310-D375 HydrophobicContact CB-CB 3.94Å; P310-D375 HydrophobicContact CG-CB 4.07Å; P310-D375 WeakPolarHBondContact CG-OD1 3.39Å
311I98.9Very high98.6Very high0 Ų031 Ų310%017%0.17CC..EExtended strand (participates in β ladder)trans-109.6137.6178.2-67.7160.4000109L155 F158 I162 C166 V304 V305 S307 M369 Q370L155-I311 HydrophobicContact CD1-CD1 3.46Å; L155-I311 VanDerWaalsContact CD1-CD1 3.46Å; F158-I311 HydrophobicContact CD1-CG2 4.35Å; F158-I311 HydrophobicContact CE1-CG2 4.26Å; I162-I311 HydrophobicContact CG2-CB 4.48Å; I162-I311 HydrophobicContact CG2-CD1 3.84Å; I162-I311 HydrophobicContact CG2-CG1 4.05Å; I162-I311 HydrophobicContact CG2-CG2 3.58Å; C166-I311 HydrophobicContact CB-CD1 3.86Å; V304-I311 CarbonylContact C-O 3.5Å; V304-I311 WeakPolarHBondContact CA-O 3.45Å; V304-I311 WeakPolarHBondContact CG1-O 3.42Å; V305-I311 HydrophobicContact CB-CB 4.15Å; V305-I311 HydrophobicContact CB-CD1 4.36Å; V305-I311 PolarHBondContact N-O 3.28Å; V305-I311 PolarHBondContact O-N 2.84Å; S307-I311 WeakPolarHBondContact OG-CD1 3.39Å; S307-I311 WeakPolarHBondContact OG-CG1 3.48Å; I311-M369 CarbonylContact C-O 3.6Å; I311-M369 WeakPolarHBondContact CA-O 3.29Å; I311-Q370 HydrophobicContact CD1-CG 4.49Å; I311-Q370 HydrophobicContact CG1-CB 3.8Å; I311-Q370 HydrophobicContact CG1-CG 3.55Å
312G98.8Very high98.7Very high0 Ų031.1 Ų31.10%017%0.172CC..EExtended strand (participates in β ladder)trans-124.7135.6168.800000111.2M369G312-M369 PolarHBondContact N-O 3.35Å; G312-M369 WeakPolarHBondContact O-CG 3.26Å; G312-M369 PolarHBondContact O-N 3.01Å
313T98.9Very high98.7Very high13 Ų1338.1 Ų38.18%0.0820%0.198CC..EExtended strand (participates in β ladder)trans-148.5146.4177.5-178.80000112.9F158 P302 T303 L367 H368F158-T313 HydrophobicContact CD1-CG2 3.77Å; F158-T313 HydrophobicContact CE1-CG2 3.56Å; P302-T313 WeakPolarHBondContact CA-O 3.19Å; T303-T313 HydrophobicContact CG2-CG2 3.32Å; T303-T313 PolarHBondContact N-O 3Å; T303-T313 PolarHBondContact O-N 2.78Å; T313-L367 CarbonylContact C-O 3.55Å; T313-L367 VanDerWaalsContact CA-O 3.3Å; T313-L367 WeakPolarHBondContact CA-O 3.28Å; T313-H368 PolarHBondContact OG1-CE1 2.84Å; T313-H368 PolarHBondContact OG1-ND1 3.3Å
314V98.8Very high98.6Very high2 Ų239.8 Ų39.81%0.01221%0.211CC..EExtended strand (participates in β ladder)trans-150.5144.617360.60000110.2S300 P302 G366 L367 L378 A382 I385S300-V314 WeakPolarHBondContact O-CG2 3.49Å; P302-V314 HydrophobicContact CB-CB 4.11Å; P302-V314 HydrophobicContact CB-CG2 4.18Å; V314-G366 WeakPolarHBondContact O-CA 3.43Å; V314-L367 HydrophobicContact CG1-CB 4Å; V314-L367 PolarHBondContact N-O 2.75Å; V314-L367 PolarHBondContact O-N 2.87Å; V314-L378 HydrophobicContact CB-CD1 4.37Å; V314-L378 HydrophobicContact CG1-CD1 3.98Å; V314-A382 HydrophobicContact CG2-CB 4.21Å; V314-I385 HydrophobicContact CG1-CD1 3.47Å; V314-I385 VanDerWaalsContact CG1-CD1 3.47Å
315G98.4Very high98.6Very high27 Ų2741.9 Ų41.928%0.27822%0.219SC..EExtended strand (participates in β ladder)trans81.9-159.5177.500000113.8V365G315-V365 CarbonylContact C-O 3.52Å; G315-V365 VanDerWaalsContact CA-O 3.27Å; G315-V365 WeakPolarHBondContact CA-O 3.48Å
316L98.7Very high98.6Very high56 Ų5642.9 Ų42.929%0.29323%0.229SC..  trans-78.4141.3-175.2-56.9175.1000111.3E320 A321 V365 G366 H368L316-E320 HydrophobicContact CB-CB 4.16Å; L316-E320 HydrophobicContact CD2-CB 4.25Å; L316-A321 HydrophobicContact CB-CB 4.29Å; L316-A321 HydrophobicContact CD1-CB 4.34Å; L316-V365 HydrophobicContact CD1-CB 4.21Å; L316-V365 HydrophobicContact CD1-CG2 4.21Å; L316-V365 PolarHBondContact N-O 3.34Å; L316-G366 WeakPolarHBondContact O-CA 3.42Å; L316-H368 PolarHBondContact O-CE1 3.34Å; L316-H368 VanDerWaalsContact O-CE1 3.3Å; L316-H368 PolarHBondContact O-NE2 2.79Å
317T98.8Very high98.5Very high16 Ų1647 Ų4710%0.09825%0.247CC..  trans-65.3164.6162.362.50000111.4D159 D319 E320 A321D159-T317 HydrophobicContact CB-CG2 3.95Å; D159-T317 VanDerWaalsContact N-CG2 3.32Å; T317-D319 VanDerWaalsContact C-N 3.32Å; T317-D319 PolarHBondContact O-N 2.84Å; T317-E320 WeakPolarHBondContact CB-OE2 3.34Å; T317-E320 WeakPolarHBondContact CG2-OE2 3.47Å; T317-E320 PolarHBondContact N-OE2 3.1Å; T317-E320 PolarHBondContact O-N 3.05Å; T317-E320 WeakPolarHBondContact OG1-CB 3.43Å; T317-E320 VanDerWaalsContact OG1-CD 3.25Å; T317-E320 WeakPolarHBondContact OG1-CG 3.25Å; T317-E320 PolarHBondContact OG1-N 3.43Å; T317-E320 PolarHBondContact OG1-OE2 2.93Å; T317-A321 WeakPolarHBondContact O-CB 3.19Å; T317-A321 PolarHBondContact O-N 3.03Å
318E98.6Very high98.5Very high66 Ų6654 Ų5431%0.30828%0.279SS..Hα-helixtrans-54.7-46.8172.9175.2172.2170.500112D159 E320 A321 V322 I332 K354D159-E318 WeakPolarHBondContact OD2-CB 3.42Å; D159-E318 PolarHBondContact OD2-N 3.32Å; E318-E320 PolarHBondContact O-N 2.9Å; E318-A321 PolarHBondContact O-N 3.23Å; E318-V322 VanDerWaalsContact O-CG2 3.31Å; E318-V322 WeakPolarHBondContact O-CG2 3.27Å; E318-V322 PolarHBondContact O-N 2.86Å; E318-I332 HydrophobicContact CB-CD1 4.05Å; E318-I332 HydrophobicContact CG-CD1 3.76Å; E318-I332 HydrophobicContact CG-CG1 4.04Å; E318-K354 IonicContact OE2-NZ 3.25Å; E318-K354 PolarHBondContact OE2-NZ 3.33Å
319D98.5Very high98.5Very high114 Ų11457 Ų5761%0.6130%0.296SS*.Hα-helixtrans-65.5-39.3-179-73.2-19.4000112.3T317 K323T317-D319 VanDerWaalsContact C-N 3.32Å; T317-D319 PolarHBondContact O-N 2.84Å; D319-K323 VanDerWaalsContact O-CB 3.25Å; D319-K323 WeakPolarHBondContact O-CB 3.11Å; D319-K323 PolarHBondContact O-N 3.02Å
320E98.6Very high98.5Very high91 Ų9157.6 Ų57.643%0.42530%0.299SS..Hα-helixtrans-65.6-44.1175.3-74.1166.3148.800111.5L316 T317 E318 K323 S324L316-E320 HydrophobicContact CB-CB 4.16Å; L316-E320 HydrophobicContact CD2-CB 4.25Å; T317-E320 WeakPolarHBondContact CB-OE2 3.34Å; T317-E320 WeakPolarHBondContact CG2-OE2 3.47Å; T317-E320 PolarHBondContact N-OE2 3.1Å; T317-E320 PolarHBondContact O-N 3.05Å; T317-E320 WeakPolarHBondContact OG1-CB 3.43Å; T317-E320 VanDerWaalsContact OG1-CD 3.25Å; T317-E320 WeakPolarHBondContact OG1-CG 3.25Å; T317-E320 PolarHBondContact OG1-N 3.43Å; T317-E320 PolarHBondContact OG1-OE2 2.93Å; E318-E320 PolarHBondContact O-N 2.9Å; E320-K323 PolarHBondContact O-N 2.96Å; E320-S324 PolarHBondContact O-N 2.98Å; E320-S324 PolarHBondContact O-OG 3.07Å; E320-S324 VanDerWaalsContact O-OG 3.05Å
321A98.6Very high98.5Very high0 Ų061.8 Ų61.80%032%0.317CS..Hα-helixtrans-63.4-42.4177.300000111.7L316 T317 E318 K323 S324 H325 V330 V356 V358 V365L316-A321 HydrophobicContact CB-CB 4.29Å; L316-A321 HydrophobicContact CD1-CB 4.34Å; T317-A321 WeakPolarHBondContact O-CB 3.19Å; T317-A321 PolarHBondContact O-N 3.03Å; E318-A321 PolarHBondContact O-N 3.23Å; A321-K323 VanDerWaalsContact C-N 3.34Å; A321-S324 PolarHBondContact O-N 2.81Å; A321-S324 PolarHBondContact O-OG 3.4Å; A321-H325 WeakPolarHBondContact O-CB 3.27Å; A321-H325 PolarHBondContact O-CD2 3.13Å; A321-H325 PolarHBondContact O-N 2.98Å; A321-V330 HydrophobicContact CB-CG1 4.42Å; A321-V330 HydrophobicContact CB-CG2 4.04Å; A321-V356 HydrophobicContact CB-CG1 3.53Å; A321-V358 HydrophobicContact CB-CG2 4.37Å; A321-V365 HydrophobicContact CB-CG2 4.2Å
322V98.7Very high98.5Very high44 Ų4464.1 Ų64.127%0.26733%0.328SS..Hα-helixtrans-62.6-43.6175168.90000110.6E318 S324 G326 K327 V330E318-V322 VanDerWaalsContact O-CG2 3.31Å; E318-V322 WeakPolarHBondContact O-CG2 3.27Å; E318-V322 PolarHBondContact O-N 2.86Å; V322-S324 PolarHBondContact O-N 3.21Å; V322-G326 WeakPolarHBondContact O-CA 3.35Å; V322-G326 PolarHBondContact O-N 2.9Å; V322-K327 HydrophobicContact CG1-CB 3.97Å; V322-V330 HydrophobicContact CG2-CB 4.12Å; V322-V330 HydrophobicContact CG2-CG1 4.16Å; V322-V330 HydrophobicContact CG2-CG2 4.07Å
323K98.4Very high98.5Very high190 Ų19064.9 Ų64.983%0.82633%0.331SS*.Hα-helixtrans-63.9-38178.9-176.8-179.7177.4-176.60112.6D319 E320 A321D319-K323 VanDerWaalsContact O-CB 3.25Å; D319-K323 WeakPolarHBondContact O-CB 3.11Å; D319-K323 PolarHBondContact O-N 3.02Å; E320-K323 PolarHBondContact O-N 2.96Å; A321-K323 VanDerWaalsContact C-N 3.34Å
324S97.9Very high98.5Very high71 Ų7171.4 Ų71.450%0.49736%0.359SS..Hα-helixtrans-90.5-24.4-176.662.50000114.6E320 A321 V322E320-S324 PolarHBondContact O-N 2.98Å; E320-S324 PolarHBondContact O-OG 3.07Å; E320-S324 VanDerWaalsContact O-OG 3.05Å; A321-S324 PolarHBondContact O-N 2.81Å; A321-S324 PolarHBondContact O-OG 3.4Å; V322-S324 PolarHBondContact O-N 3.21Å
325H98Very high98.5Very high79 Ų7973.1 Ų73.137%0.36637%0.369SS..Hα-helixtrans-121-8.1-173.6-61.2-74.4000115.1A321 N329 V330 V358A321-H325 WeakPolarHBondContact O-CB 3.27Å; A321-H325 PolarHBondContact O-CD2 3.13Å; A321-H325 PolarHBondContact O-N 2.98Å; H325-N329 WeakPolarHBondContact O-CB 3.17Å; H325-N329 PolarHBondContact O-ND2 3.18Å; H325-V330 HydrophobicContact CB-CG2 4.43Å; H325-V358 HydrophobicContact CB-CG1 3.81Å; H325-V358 HydrophobicContact CB-CG2 4.22Å
326G98.2Very high98.5Very high22 Ų2275.5 Ų75.523%0.22738%0.382CS..  trans83.2139.9-17400000112V322 E328 N329V322-G326 WeakPolarHBondContact O-CA 3.35Å; V322-G326 PolarHBondContact O-N 2.9Å; G326-E328 PolarHBondContact O-N 3.31Å; G326-N329 PolarHBondContact O-N 3.47Å
327K98.1Very high98.5Very high168 Ų16875 Ų7573%0.7338%0.378SS*.G310 helixtrans-59.7-35.6-173.6-175.5176.1178.9177.60112.6V322 N329 V330V322-K327 HydrophobicContact CG1-CB 3.97Å; K327-N329 PolarHBondContact O-N 2.94Å; K327-V330 PolarHBondContact O-N 3.32Å
328E98Very high98.5Very high150 Ų15077.7 Ų77.770%0.70139%0.394SS*.G310 helixtrans-66.8-21179.371.7-7217400113.7G326G326-E328 PolarHBondContact O-N 3.31Å
329N98.4Very high98.5Very high71 Ų7174.8 Ų74.838%0.3838%0.381SS..G310 helixtrans-99.6-0.6178.8-60.2-56.1000112.7H325 G326 K327 V358 G359H325-N329 WeakPolarHBondContact O-CB 3.17Å; H325-N329 PolarHBondContact O-ND2 3.18Å; G326-N329 PolarHBondContact O-N 3.47Å; K327-N329 PolarHBondContact O-N 2.94Å; N329-V358 CarbonylContact O-C 3.58Å; N329-V358 VanDerWaalsContact O-CA 3.27Å; N329-V358 WeakPolarHBondContact O-CA 3.44Å; N329-G359 PolarHBondContact O-N 2.64Å
330V98.8Very high98.4Very high24 Ų2475.6 Ų75.615%0.14538%0.382CS..EExtended strand (participates in β ladder)trans-105.9130.8-178.7176.70000109.9A321 V322 H325 K327 I332 V356 C357 V358A321-V330 HydrophobicContact CB-CG1 4.42Å; A321-V330 HydrophobicContact CB-CG2 4.04Å; V322-V330 HydrophobicContact CG2-CB 4.12Å; V322-V330 HydrophobicContact CG2-CG1 4.16Å; V322-V330 HydrophobicContact CG2-CG2 4.07Å; H325-V330 HydrophobicContact CB-CG2 4.43Å; K327-V330 PolarHBondContact O-N 3.32Å; V330-I332 HydrophobicContact CG1-CD1 3.74Å; V330-I332 HydrophobicContact CG1-CG1 4.33Å; V330-V356 HydrophobicContact CG1-CG1 4.18Å; V330-C357 WeakPolarHBondContact CA-O 3.39Å; V330-V358 HydrophobicContact CG2-CG2 4.13Å
331K98.8Very high98.4Very high94 Ų9473.6 Ų73.641%0.40937%0.371SS..EExtended strand (participates in β ladder)trans-125.9135.5173.2-168.7-179.2-178.2-178.10110.4Y333 C357 E362K331-Y333 HydrophobicContact CD-CE2 3.89Å; K331-Y333 WeakPolarHBondContact CE-OH 3.34Å; K331-Y333 HydrophobicContact CG-CE2 4.1Å; K331-Y333 PolarHBondContact NZ-OH 3.4Å; K331-C357 PolarHBondContact N-O 3.24Å; K331-C357 WeakPolarHBondContact O-CB 3.46Å; K331-C357 PolarHBondContact O-N 3.18Å; K331-E362 WeakPolarHBondContact CD-OE1 3.29Å; K331-E362 WeakPolarHBondContact CE-OE1 3.3Å; K331-E362 IonicContact NZ-OE1 2.72Å; K331-E362 PolarHBondContact NZ-OE1 2.86Å
332I98.8Very high98.4Very high48 Ų4874 Ų7425%0.24637%0.373CS..EExtended strand (participates in β ladder)trans-115.4129.7-175.9-52.1-60.9000109.6E318 V330 K354 L355 V356E318-I332 HydrophobicContact CB-CD1 4.05Å; E318-I332 HydrophobicContact CG-CD1 3.76Å; E318-I332 HydrophobicContact CG-CG1 4.04Å; V330-I332 HydrophobicContact CG1-CD1 3.74Å; V330-I332 HydrophobicContact CG1-CG1 4.33Å; I332-K354 HydrophobicContact CG2-CD 3.9Å; I332-K354 HydrophobicContact CG2-CG 3.71Å; I332-L355 WeakPolarHBondContact CA-O 3.44Å; I332-V356 HydrophobicContact CD1-CB 4.11Å; I332-V356 HydrophobicContact CD1-CG1 3.8Å; I332-V356 HydrophobicContact CD1-CG2 3.94Å
333Y98.9Very high98.3Very high16 Ų1674.8 Ų74.86%0.06338%0.384CS..EExtended strand (participates in β ladder)trans-109.4135.5167.1-62.8-96.4000108.3K331 K354 L355 E362 K391 M411 R412K331-Y333 HydrophobicContact CD-CE2 3.89Å; K331-Y333 WeakPolarHBondContact CE-OH 3.34Å; K331-Y333 HydrophobicContact CG-CE2 4.1Å; K331-Y333 PolarHBondContact NZ-OH 3.4Å; Y333-K354 CarbonylContact O-C 3.5Å; Y333-K354 VanDerWaalsContact O-CA 3.26Å; Y333-K354 WeakPolarHBondContact O-CA 3.43Å; Y333-L355 PolarHBondContact N-O 3.25Å; Y333-L355 PolarHBondContact O-N 2.68Å; Y333-E362 PolarHBondContact OH-OE1 2.65Å; Y333-E362 PolarHBondContact OH-OE2 3.09Å; Y333-K391 HydrophobicContact CD2-CD 4.34Å; Y333-K391 HydrophobicContact CE2-CD 4.18Å; Y333-K391 HydrophobicContact CE2-CG 4.05Å; Y333-M411 HydrophobicContact CD1-CB 4.31Å; Y333-R412 WeakPolarHBondContact CE1-OXT 3.14Å
334K98.4Very high98.2Very high151 Ų15170.8 Ų70.866%0.65737%0.371SS*.EExtended strand (participates in β ladder)trans-145.4145.5179.865.6-175.9-179.7-175.50111.3F161 M353F161-K334 HydrophobicContact CE1-CB 4.5Å; K334-M353 VanDerWaalsContact CA-O 3.24Å; K334-M353 WeakPolarHBondContact CA-O 3.48Å
335T98.6Very high98.2Very high37 Ų3767.4 Ų67.423%0.22735%0.347CS..EExtended strand (participates in β ladder)trans-138.2157.6170.6-170.80000110.1F337 M353 E407 M411T335-F337 HydrophobicContact CG2-CD1 4.19Å; T335-F337 HydrophobicContact CG2-CE1 4.26Å; T335-M353 HydrophobicContact CG2-CB 4.02Å; T335-M353 HydrophobicContact CG2-CG 4.5Å; T335-M353 PolarHBondContact N-O 2.99Å; T335-M353 PolarHBondContact O-N 3.19Å; T335-E407 HydrophobicContact CG2-CB 4.27Å; T335-M411 HydrophobicContact CG2-CE 3.81Å
336S98.4Very high98.1Very high78 Ų7868.1 Ų68.155%0.54536%0.361SS..EExtended strand (participates in β ladder)trans-145.5125.6175.2179.90000108.3C351S336-C351 WeakPolarHBondContact CA-O 3.39Å
337F98.6Very high97.9Very high46 Ų4669.9 Ų69.920%0.20236%0.361CS..EExtended strand (participates in β ladder)trans-148.3167.5-176.662.7-82.9000110.6T335 P339 P350 C351 M353 E407T335-F337 HydrophobicContact CG2-CD1 4.19Å; T335-F337 HydrophobicContact CG2-CE1 4.26Å; F337-P339 HydrophobicContact CE2-CG 4.28Å; F337-P350 CarbonylContact O-C 3.56Å; F337-P350 WeakPolarHBondContact O-CA 3.33Å; F337-C351 HydrophobicContact CD1-CB 4.33Å; F337-C351 HydrophobicContact CD2-CB 4.26Å; F337-C351 HydrophobicContact CE1-CB 3.81Å; F337-C351 HydrophobicContact CE2-CB 3.76Å; F337-C351 HydrophobicContact CZ-CB 3.51Å; F337-C351 WeakPolarHBondContact CZ-SG 3.37Å; F337-C351 PolarHBondContact N-O 3.38Å; F337-C351 PolarHBondContact O-N 3.15Å; F337-M353 HydrophobicContact CE1-CE 4.26Å; F337-M353 HydrophobicContact CE1-SD 4.3Å; F337-M353 HydrophobicContact CZ-CE 4.14Å; F337-E407 HydrophobicContact CD1-CG 4.19Å; F337-E407 HydrophobicContact CE1-CB 4.06Å; F337-E407 HydrophobicContact CE1-CG 3.6Å; F337-E407 HydrophobicContact CE2-CG 4.4Å; F337-E407 HydrophobicContact CZ-CB 4.42Å; F337-E407 HydrophobicContact CZ-CG 3.71Å
338T98.4Very high97.6Very high72 Ų7268 Ų6844%0.44235%0.349SS..  trans-97.7118.5170-630000108H342T338-H342 HydrophobicContact CG2-CB 3.57Å
339P98.5Very high97.4Very high5 Ų561.3 Ų61.33%0.03232%0.319CS..  trans-52.8143.1176.2-28.637.2000111.5F337 Y341 H342 S349 C351 L372F337-P339 HydrophobicContact CE2-CG 4.28Å; P339-Y341 PolarHBondContact O-N 2.83Å; P339-H342 PolarHBondContact O-N 2.84Å; P339-S349 VanDerWaalsContact CD-O 3.24Å; P339-S349 WeakPolarHBondContact CD-O 3.38Å; P339-C351 HydrophobicContact CG-CB 3.68Å; P339-L372 HydrophobicContact CG-CB 4.42Å
340M97.9Very high97.3Very high130 Ų13059.2 Ų59.264%0.6431%0.309SS*.G310 helixtrans-60.4-22.7-174.974.9177.6-6100113.7H342 A343 P402M340-H342 PolarHBondContact O-N 3.49Å; M340-H342 VanDerWaalsContact O-N 3.16Å; M340-A343 WeakPolarHBondContact O-CB 3.31Å; M340-A343 PolarHBondContact O-N 3.48Å; M340-P402 HydrophobicContact CE-CB 4.5Å; M340-P402 HydrophobicContact CE-CG 4.27Å; M340-P402 HydrophobicContact SD-CB 3.62Å; M340-P402 HydrophobicContact SD-CG 3.67Å
341Y98.4Very high97.3Very high50 Ų5058.1 Ų58.120%0.19630%0.302CS..G310 helixtrans-50-37.9169.7171.3-97.3000111.5Y10 D13 Y17 P339 L372Y10-Y341 HydrophobicContact CD1-CE1 4.02Å; Y10-Y341 HydrophobicContact CD1-CE2 4.27Å; Y10-Y341 AromaticContact CD1-CZ 3.57Å; Y10-Y341 WeakPolarHBondContact CD1-OH 3.5Å; Y10-Y341 AromaticContact CE1-CE1 3.89Å; Y10-Y341 HydrophobicContact CE1-CE1 3.89Å; Y10-Y341 HydrophobicContact CE1-CE2 4.21Å; Y10-Y341 AromaticContact CE1-CZ 3.72Å; D13-Y341 VanDerWaalsContact CB-OH 3.29Å; D13-Y341 WeakPolarHBondContact CB-OH 3.43Å; D13-Y341 VanDerWaalsContact OD2-CE1 3.3Å; D13-Y341 WeakPolarHBondContact OD2-CE1 3.47Å; D13-Y341 PolarHBondContact OD2-OH 2.91Å; Y17-Y341 HydrophobicContact CE2-CD2 4.26Å; Y17-Y341 AromaticContact CE2-CE2 3.72Å; Y17-Y341 HydrophobicContact CE2-CE2 3.72Å; Y17-Y341 AromaticContact CE2-CZ 3.99Å; Y17-Y341 AromaticContact CZ-CE2 3.96Å; Y17-Y341 WeakPolarHBondContact OH-CD2 3.45Å; Y17-Y341 PolarHBondContact OH-O 2.88Å; P339-Y341 PolarHBondContact O-N 2.83Å; Y341-L372 HydrophobicContact CG-CD2 4.19Å
342H97.9Very high97.3Very high7 Ų753.8 Ų53.83%0.03228%0.284CS..G310 helixtrans-87.5-1.1-179.3-72.8-56000113.9T338 P339 M340 I344 T345 R347 R348T338-H342 HydrophobicContact CG2-CB 3.57Å; P339-H342 PolarHBondContact O-N 2.84Å; M340-H342 PolarHBondContact O-N 3.49Å; M340-H342 VanDerWaalsContact O-N 3.16Å; H342-I344 PolarHBondContact O-N 2.89Å; H342-I344 VanDerWaalsContact O-N 3.14Å; H342-T345 WeakPolarHBondContact CA-OG1 3.45Å; H342-T345 PolarHBondContact ND1-OG1 2.94Å; H342-T345 PolarHBondContact O-N 2.77Å; H342-T345 PolarHBondContact O-OG1 2.86Å; H342-R347 PolarHBondContact ND1-O 2.87Å; H342-R348 PolarHBondContact O-NE 3.27Å; H342-R348 PolarHBondContact O-NH1 2.93Å; H342-R348 PolarHBondContact O-NH2 2.93Å
343A96.8Very high97.3Very high61 Ų6151.5 Ų51.550%0.50427%0.272SS..THydrogen-bonded Turntrans-54.1-39.9-174.500000112.4M340 R348M340-A343 WeakPolarHBondContact O-CB 3.31Å; M340-A343 PolarHBondContact O-N 3.48Å; A343-R348 PolarHBondContact O-NH1 3.39Å; A343-R348 PolarHBondContact O-NH2 2.8Å
344I96.9Very high97.3Very high106 Ų10651.2 Ų51.254%0.54427%0.271SS..THydrogen-bonded Turntrans-105.1-3.4-177.960.7168.5000114.3Y17 H342Y17-I344 HydrophobicContact CD1-CD1 3.76Å; Y17-I344 HydrophobicContact CE1-CD1 3.62Å; Y17-I344 HydrophobicContact CE1-CG1 4.19Å; Y17-I344 HydrophobicContact CE2-CG1 4.41Å; Y17-I344 HydrophobicContact CG-CD1 4.29Å; H342-I344 PolarHBondContact O-N 2.89Å; H342-I344 VanDerWaalsContact O-N 3.14Å
345T97.9Very high97.4Very high1 Ų144 Ų441%0.00624%0.24CC..  trans-87.3149.8179.264.40000111.6D13 D16 Y17 H342 R347 R348D13-T345 HydrophobicContact CB-CG2 3.93Å; D16-T345 HydrophobicContact CB-CG2 4.36Å; D16-T345 WeakPolarHBondContact OD2-CA 3.49Å; Y17-T345 HydrophobicContact CD2-CG2 3.98Å; Y17-T345 HydrophobicContact CE2-CG2 3.44Å; Y17-T345 VanDerWaalsContact CE2-CG2 3.44Å; H342-T345 WeakPolarHBondContact CA-OG1 3.45Å; H342-T345 PolarHBondContact ND1-OG1 2.94Å; H342-T345 PolarHBondContact O-N 2.77Å; H342-T345 PolarHBondContact O-OG1 2.86Å; T345-R347 PolarHBondContact OG1-O 3.19Å; T345-R348 PolarHBondContact O-NE 2.88Å; T345-R348 PolarHBondContact O-NH2 2.93Å
346S95.3Very high97.4Very high94 Ų9442.2 Ų42.266%0.65723%0.229SC*.SBendtrans-70.1-43.8172.155.60000111D16D16-S346 WeakPolarHBondContact OD2-CB 3.3Å; D16-S346 PolarHBondContact OD2-N 3.04Å; D16-S346 PolarHBondContact OD2-OG 3.05Å
347R93.8Very high97.4Very high58 Ų5838.6 Ų38.622%0.21920%0.203CC..SBendtrans-67.3140.5169.9-167.5176.768.3107.3-3.1110.4E9 D13 H342 T345E9-R347 IonicContact OE1-CZ 2.87Å; E9-R347 IonicContact OE1-NH1 3.97Å; E9-R347 PolarHBondContact OE1-NH1 3.25Å; D13-R347 IonicContact OD1-CZ 2.79Å; D13-R347 IonicContact OD1-NE 2.6Å; D13-R347 PolarHBondContact OD1-NE 3.38Å; D13-R347 VanDerWaalsContact OD1-NE 3.09Å; D13-R347 IonicContact OD1-NH2 3.62Å; D13-R347 IonicContact OD2-CZ 3.93Å; D13-R347 IonicContact OD2-NE 3.09Å; D13-R347 IonicContact OD2-NH2 3.89Å; D13-R347 PolarHBondContact OD2-NH2 2.93Å; H342-R347 PolarHBondContact ND1-O 2.87Å; T345-R347 PolarHBondContact OG1-O 3.19Å
348R93.1Very high97.4Very high130 Ų13037.3 Ų37.349%0.49120%0.199SC..  trans-130.4137.6177.1-56.6-68.4169157.2-11.1109H342 A343 T345H342-R348 PolarHBondContact O-NE 3.27Å; H342-R348 PolarHBondContact O-NH1 2.93Å; H342-R348 PolarHBondContact O-NH2 2.93Å; A343-R348 PolarHBondContact O-NH1 3.39Å; A343-R348 PolarHBondContact O-NH2 2.8Å; T345-R348 PolarHBondContact O-NE 2.88Å; T345-R348 PolarHBondContact O-NH2 2.93Å
349S93.3Very high97.4Very high9 Ų935.4 Ų35.46%0.06319%0.194CC..  trans-133129.5166.4-175.30000108.8E169 P309 P339E169-S349 PolarHBondContact OE2-OG 2.86Å; P309-S349 VanDerWaalsContact CD-OG 3.26Å; P309-S349 WeakPolarHBondContact CD-OG 3.25Å; P309-S349 WeakPolarHBondContact CG-OG 3.29Å; P339-S349 VanDerWaalsContact CD-O 3.24Å; P339-S349 WeakPolarHBondContact CD-O 3.38Å
350P96.6Very high97.4Very high27 Ų2744.5 Ų44.518%0.17523%0.233CC..  trans-75.6154.4-179.732.8-34000111.4E169 F337E169-P350 VanDerWaalsContact CD-CD 3.47Å; E169-P350 WeakPolarHBondContact OE1-CD 3.44Å; E169-P350 WeakPolarHBondContact OE2-CD 3.26Å; F337-P350 CarbonylContact O-C 3.56Å; F337-P350 WeakPolarHBondContact O-CA 3.33Å
351C98.8Very high97.4Very high0 Ų044.8 Ų44.80%023%0.233CC..EExtended strand (participates in β ladder)trans-106.1126159.1-177.10000108.4S336 F337 P339 M353 Q370S336-C351 WeakPolarHBondContact CA-O 3.39Å; F337-C351 HydrophobicContact CD1-CB 4.33Å; F337-C351 HydrophobicContact CD2-CB 4.26Å; F337-C351 HydrophobicContact CE1-CB 3.81Å; F337-C351 HydrophobicContact CE2-CB 3.76Å; F337-C351 HydrophobicContact CZ-CB 3.51Å; F337-C351 WeakPolarHBondContact CZ-SG 3.37Å; F337-C351 PolarHBondContact N-O 3.38Å; F337-C351 PolarHBondContact O-N 3.15Å; P339-C351 HydrophobicContact CG-CB 3.68Å; C351-M353 VanDerWaalsContact SG-CE 3.51Å; C351-Q370 CarbonylContact C-O 3.54Å; C351-Q370 VanDerWaalsContact CA-O 3.29Å; C351-Q370 WeakPolarHBondContact CA-O 3.35Å
352I98.8Very high97.4Very high3 Ų344.6 Ų44.62%0.01523%0.234CC..EExtended strand (participates in β ladder)trans-116.3142.4174.961.3149.5000109.8F161 I162 N165 M369 Q370F161-I352 HydrophobicContact CD1-CB 4.48Å; F161-I352 HydrophobicContact CD1-CD1 3.71Å; F161-I352 HydrophobicContact CD2-CD1 4.35Å; F161-I352 HydrophobicContact CE1-CB 3.65Å; F161-I352 HydrophobicContact CE1-CD1 3.73Å; F161-I352 HydrophobicContact CE1-CG1 4.22Å; F161-I352 HydrophobicContact CE1-CG2 4.4Å; F161-I352 HydrophobicContact CE2-CD1 4.33Å; F161-I352 HydrophobicContact CG-CD1 4.04Å; F161-I352 HydrophobicContact CZ-CB 3.7Å; F161-I352 HydrophobicContact CZ-CD1 4.03Å; F161-I352 HydrophobicContact CZ-CG2 3.94Å; F161-I352 WeakPolarHBondContact O-CD1 3.3Å; I162-I352 HydrophobicContact CD1-CD1 3.89Å; N165-I352 HydrophobicContact CB-CD1 3.33Å; N165-I352 HydrophobicContact CB-CG1 4.08Å; I352-M369 CarbonylContact O-C 3.37Å; I352-M369 WeakPolarHBondContact O-CA 3.26Å; I352-M369 WeakPolarHBondContact O-CB 3.35Å; I352-Q370 HydrophobicContact CD1-CB 4.37Å; I352-Q370 HydrophobicContact CG1-CB 3.87Å; I352-Q370 PolarHBondContact N-O 2.77Å; I352-Q370 PolarHBondContact O-N 2.6Å
353M98.9Very high97.4Very high0 Ų049.2 Ų49.20%025%0.254CS..EExtended strand (participates in β ladder)trans-142143.8179.6-58.9-176.8171.900110.4K334 T335 F337 C351 H368 M369 M377 S404 E407 F408 M411K334-M353 VanDerWaalsContact CA-O 3.24Å; K334-M353 WeakPolarHBondContact CA-O 3.48Å; T335-M353 HydrophobicContact CG2-CB 4.02Å; T335-M353 HydrophobicContact CG2-CG 4.5Å; T335-M353 PolarHBondContact N-O 2.99Å; T335-M353 PolarHBondContact O-N 3.19Å; F337-M353 HydrophobicContact CE1-CE 4.26Å; F337-M353 HydrophobicContact CE1-SD 4.3Å; F337-M353 HydrophobicContact CZ-CE 4.14Å; C351-M353 VanDerWaalsContact SG-CE 3.51Å; M353-H368 CarbonylContact C-O 3.57Å; M353-H368 WeakPolarHBondContact CA-O 3.5Å; M353-M369 HydrophobicContact CG-CB 4.01Å; M353-M377 HydrophobicContact CE-CE 4.09Å; M353-M377 HydrophobicContact CE-SD 3.92Å; M353-S404 WeakPolarHBondContact CE-O 3.35Å; M353-E407 HydrophobicContact CE-CB 4.49Å; M353-E407 HydrophobicContact SD-CB 3.78Å; M353-F408 HydrophobicContact CB-CE1 3.85Å; M353-F408 HydrophobicContact CB-CE2 4.37Å; M353-F408 HydrophobicContact CB-CZ 3.76Å; M353-F408 HydrophobicContact CE-CD2 4.18Å; M353-F408 HydrophobicContact CE-CE2 3.95Å; M353-F408 HydrophobicContact CG-CE1 4.38Å; M353-F408 HydrophobicContact CG-CE2 4.01Å; M353-F408 HydrophobicContact CG-CZ 3.86Å; M353-F408 HydrophobicContact SD-CD1 4.41Å; M353-F408 HydrophobicContact SD-CD2 3.64Å; M353-F408 HydrophobicContact SD-CE1 4.31Å; M353-F408 HydrophobicContact SD-CE2 3.52Å; M353-F408 VanDerWaalsContact SD-CE2 3.52Å; M353-F408 HydrophobicContact SD-CG 4.1Å; M353-F408 HydrophobicContact SD-CZ 3.88Å; M353-M411 HydrophobicContact CB-CE 3.39Å; M353-M411 HydrophobicContact CG-CE 4.46Å; M353-M411 HydrophobicContact SD-CE 4.33Å
354K98.9Very high97.5Very high10 Ų1046.3 Ų46.34%0.04323%0.23CC..EExtended strand (participates in β ladder)trans-139.1134.2176.9-178.9-173.1-73.8-170.30110.3D159 F161 E318 I332 Y333 V356 L367 H368D159-K354 VanDerWaalsContact CG-NZ 3.31Å; D159-K354 WeakPolarHBondContact OD1-CE 3.07Å; D159-K354 IonicContact OD1-NZ 2.62Å; D159-K354 PolarHBondContact OD1-NZ 3.32Å; D159-K354 IonicContact OD2-NZ 3.88Å; D159-K354 PolarHBondContact OD2-NZ 3.4Å; D159-K354 VanDerWaalsContact OD2-NZ 3.13Å; F161-K354 HydrophobicContact CD1-CB 3.95Å; F161-K354 HydrophobicContact CE1-CB 4.41Å; E318-K354 IonicContact OE2-NZ 3.25Å; E318-K354 PolarHBondContact OE2-NZ 3.33Å; I332-K354 HydrophobicContact CG2-CD 3.9Å; I332-K354 HydrophobicContact CG2-CG 3.71Å; Y333-K354 CarbonylContact O-C 3.5Å; Y333-K354 VanDerWaalsContact O-CA 3.26Å; Y333-K354 WeakPolarHBondContact O-CA 3.43Å; K354-V356 HydrophobicContact CD-CG2 4.11Å; K354-V356 HydrophobicContact CG-CG2 4.38Å; K354-L367 WeakPolarHBondContact O-CA 3.05Å; K354-H368 HydrophobicContact CB-CB 4.4Å; K354-H368 PolarHBondContact N-O 3Å; K354-H368 PolarHBondContact O-N 2.79Å
355L98.9Very high97.6Very high0 Ų042.3 Ų42.30%021%0.21CC..EExtended strand (participates in β ladder)trans-109137.9162.5-64.1175.9000110I332 Y333 V364 L367 K391 F394 F408 M411I332-L355 WeakPolarHBondContact CA-O 3.44Å; Y333-L355 PolarHBondContact N-O 3.25Å; Y333-L355 PolarHBondContact O-N 2.68Å; L355-V364 HydrophobicContact CD2-CG1 4.07Å; L355-L367 HydrophobicContact CD2-CB 4Å; L355-L367 HydrophobicContact CD2-CD1 3.67Å; L355-L367 HydrophobicContact CD2-CG 3.82Å; L355-K391 HydrophobicContact CD1-CD 4.17Å; L355-F394 HydrophobicContact CD1-CD1 4.32Å; L355-F394 HydrophobicContact CD2-CE1 4.17Å; L355-F408 HydrophobicContact CD1-CD1 4.31Å; L355-F408 HydrophobicContact CD2-CD1 3.66Å; L355-F408 HydrophobicContact CD2-CE1 3.77Å; L355-F408 HydrophobicContact CG-CD1 3.89Å; L355-F408 HydrophobicContact CG-CE1 4.13Å; L355-M411 HydrophobicContact CD1-SD 4.2Å; L355-M411 HydrophobicContact CG-SD 4.15Å
356V98.9Very high97.7Very high0 Ų042.2 Ų42.20%021%0.21CC..EExtended strand (participates in β ladder)trans-111.9113.1174.6-173.90000108A321 V330 I332 K354 V365 G366A321-V356 HydrophobicContact CB-CG1 3.53Å; V330-V356 HydrophobicContact CG1-CG1 4.18Å; I332-V356 HydrophobicContact CD1-CB 4.11Å; I332-V356 HydrophobicContact CD1-CG1 3.8Å; I332-V356 HydrophobicContact CD1-CG2 3.94Å; K354-V356 HydrophobicContact CD-CG2 4.11Å; K354-V356 HydrophobicContact CG-CG2 4.38Å; V356-V365 HydrophobicContact CB-CG2 4.33Å; V356-V365 HydrophobicContact CG1-CG2 3.9Å; V356-V365 WeakPolarHBondContact O-CG2 3.46Å; V356-V365 PolarHBondContact O-N 3.42Å; V356-G366 PolarHBondContact N-O 3.2Å; V356-G366 PolarHBondContact O-N 3.07Å
357C98.9Very high97.8Very high1 Ų137.8 Ų37.81%0.00718%0.178CC..EExtended strand (participates in β ladder)trans-112.9144.7-177-580000110.8V330 K331 E362 K363V330-C357 WeakPolarHBondContact CA-O 3.39Å; K331-C357 PolarHBondContact N-O 3.24Å; K331-C357 WeakPolarHBondContact O-CB 3.46Å; K331-C357 PolarHBondContact O-N 3.18Å; C357-E362 HydrophobicContact CB-CB 3.96Å; C357-K363 CarbonylContact C-O 3.55Å; C357-K363 VanDerWaalsContact CA-O 3.25Å; C357-K363 WeakPolarHBondContact CA-O 3.24Å
358V98.8Very high98.1Very high19 Ų1935 Ų3512%0.11517%0.168CC..EExtended strand (participates in β ladder)trans-126.5137.8-179.8170.10000112.1A321 H325 N329 V330 K363 V365A321-V358 HydrophobicContact CB-CG2 4.37Å; H325-V358 HydrophobicContact CB-CG1 3.81Å; H325-V358 HydrophobicContact CB-CG2 4.22Å; N329-V358 CarbonylContact O-C 3.58Å; N329-V358 VanDerWaalsContact O-CA 3.27Å; N329-V358 WeakPolarHBondContact O-CA 3.44Å; V330-V358 HydrophobicContact CG2-CG2 4.13Å; V358-K363 PolarHBondContact N-O 2.97Å; V358-K363 PolarHBondContact O-N 3.25Å; V358-V365 HydrophobicContact CB-CG1 4.08Å; V358-V365 HydrophobicContact CB-CG2 4.32Å; V358-V365 HydrophobicContact CG2-CB 4.44Å; V358-V365 HydrophobicContact CG2-CG1 4.08Å; V358-V365 HydrophobicContact CG2-CG2 3.51Å
359G98.4Very high98.3Very high32 Ų3228.8 Ų28.833%0.3315%0.145SC..THydrogen-bonded Turntrans77.1179.3172.700000113.9N329 E361 E362N329-G359 PolarHBondContact O-N 2.64Å; G359-E361 VanDerWaalsContact C-N 3.28Å; G359-E361 PolarHBondContact O-N 3.04Å; G359-E362 PolarHBondContact O-N 2.87Å
360K97.9Very high98.6Very high196 Ų19628.4 Ų28.485%0.85214%0.142SC*.THydrogen-bonded Turntrans-60.1-35.8-177.1-176.1-177.2174.8-168.20113.4E362K360-E362 PolarHBondContact O-N 2.97Å
361E97.7Very high98.7Very high137 Ų13727.1 Ų27.164%0.6413%0.133SC*.THydrogen-bonded Turntrans-82.11179.4-53.7-55.6143.500112.6G359 K363 T390G359-E361 VanDerWaalsContact C-N 3.28Å; G359-E361 PolarHBondContact O-N 3.04Å; E361-K363 VanDerWaalsContact C-N 3.32Å; E361-K363 PolarHBondContact O-N 2.82Å; E361-T390 HydrophobicContact CB-CG2 4.47Å; E361-T390 WeakPolarHBondContact O-CB 3.12Å; E361-T390 WeakPolarHBondContact O-CG2 3.34Å
362E98.7Very high98.7Very high45 Ų4529.7 Ų29.721%0.2115%0.147CC..THydrogen-bonded Turntrans50.249.7179.6-62.1-175.2163.800112.6K331 Y333 C357 G359 K360 V364 T390 K391K331-E362 WeakPolarHBondContact CD-OE1 3.29Å; K331-E362 WeakPolarHBondContact CE-OE1 3.3Å; K331-E362 IonicContact NZ-OE1 2.72Å; K331-E362 PolarHBondContact NZ-OE1 2.86Å; Y333-E362 PolarHBondContact OH-OE1 2.65Å; Y333-E362 PolarHBondContact OH-OE2 3.09Å; C357-E362 HydrophobicContact CB-CB 3.96Å; G359-E362 PolarHBondContact O-N 2.87Å; K360-E362 PolarHBondContact O-N 2.97Å; E362-V364 PolarHBondContact O-N 2.85Å; E362-T390 WeakPolarHBondContact O-CA 3.48Å; E362-K391 HydrophobicContact CB-CB 3.75Å; E362-K391 PolarHBondContact O-N 3.07Å; E362-K391 WeakPolarHBondContact OE2-CB 3.43Å
363K98.8Very high98.7Very high105 Ų10531 Ų3146%0.45716%0.161SC..EExtended strand (participates in β ladder)trans-59.2126.3174.7-178.8177.8179.9178.50109C357 V358 E361 V365C357-K363 CarbonylContact C-O 3.55Å; C357-K363 VanDerWaalsContact CA-O 3.25Å; C357-K363 WeakPolarHBondContact CA-O 3.24Å; V358-K363 PolarHBondContact N-O 2.97Å; V358-K363 PolarHBondContact O-N 3.25Å; E361-K363 VanDerWaalsContact C-N 3.32Å; E361-K363 PolarHBondContact O-N 2.82Å; K363-V365 HydrophobicContact CG-CG1 4.32Å; K363-V365 PolarHBondContact O-N 3.1Å
364V98.8Very high98.7Very high0 Ų031 Ų310%016%0.161CC..EExtended strand (participates in β ladder)trans-75.9109.1178.2-175.30000108.4L355 E362 I385 A389 F394L355-V364 HydrophobicContact CD2-CG1 4.07Å; E362-V364 PolarHBondContact O-N 2.85Å; V364-I385 HydrophobicContact CB-CG1 4.4Å; V364-I385 HydrophobicContact CG1-CD1 4Å; V364-I385 HydrophobicContact CG1-CG1 3.95Å; V364-A389 PolarHBondContact N-O 3.29Å; V364-F394 HydrophobicContact CB-CE2 4.41Å; V364-F394 HydrophobicContact CG1-CZ 4.49Å; V364-F394 HydrophobicContact CG2-CD2 4.16Å; V364-F394 HydrophobicContact CG2-CE2 3.96Å
365V98.8Very high98.7Very high21 Ų2132.3 Ų32.313%0.12717%0.168CC..EExtended strand (participates in β ladder)trans-105.1-10.8-179.7-61.80000113G315 L316 A321 V356 V358 K363G315-V365 CarbonylContact C-O 3.52Å; G315-V365 VanDerWaalsContact CA-O 3.27Å; G315-V365 WeakPolarHBondContact CA-O 3.48Å; L316-V365 HydrophobicContact CD1-CB 4.21Å; L316-V365 HydrophobicContact CD1-CG2 4.21Å; L316-V365 PolarHBondContact N-O 3.34Å; A321-V365 HydrophobicContact CB-CG2 4.2Å; V356-V365 HydrophobicContact CB-CG2 4.33Å; V356-V365 HydrophobicContact CG1-CG2 3.9Å; V356-V365 WeakPolarHBondContact O-CG2 3.46Å; V356-V365 PolarHBondContact O-N 3.42Å; V358-V365 HydrophobicContact CB-CG1 4.08Å; V358-V365 HydrophobicContact CB-CG2 4.32Å; V358-V365 HydrophobicContact CG2-CB 4.44Å; V358-V365 HydrophobicContact CG2-CG1 4.08Å; V358-V365 HydrophobicContact CG2-CG2 3.51Å; K363-V365 HydrophobicContact CG-CG1 4.32Å; K363-V365 PolarHBondContact O-N 3.1Å
366G98.8Very high98.7Very high0 Ų039.6 Ų39.60%020%0.203CC..EExtended strand (participates in β ladder)trans-152.7142.4178.400000112V314 L316 V356V314-G366 WeakPolarHBondContact O-CA 3.43Å; L316-G366 WeakPolarHBondContact O-CA 3.42Å; V356-G366 PolarHBondContact N-O 3.2Å; V356-G366 PolarHBondContact O-N 3.07Å
367L98.8Very high98.6Very high0 Ų041 Ų410%021%0.21CC..EExtended strand (participates in β ladder)trans-139.8128.2172.9179.3158.5000108.7T313 V314 K354 L355 M369 L378 F381 I385 F394 F408T313-L367 CarbonylContact C-O 3.55Å; T313-L367 VanDerWaalsContact CA-O 3.3Å; T313-L367 WeakPolarHBondContact CA-O 3.28Å; V314-L367 HydrophobicContact CG1-CB 4Å; V314-L367 PolarHBondContact N-O 2.75Å; V314-L367 PolarHBondContact O-N 2.87Å; K354-L367 WeakPolarHBondContact O-CA 3.05Å; L355-L367 HydrophobicContact CD2-CB 4Å; L355-L367 HydrophobicContact CD2-CD1 3.67Å; L355-L367 HydrophobicContact CD2-CG 3.82Å; L367-M369 HydrophobicContact CD2-CE 4.37Å; L367-M369 HydrophobicContact CD2-CG 4.34Å; L367-L378 HydrophobicContact CD2-CD1 3.84Å; L367-F381 HydrophobicContact CD1-CB 3.71Å; L367-F381 HydrophobicContact CD1-CD1 4.18Å; L367-F381 HydrophobicContact CD1-CD2 4.32Å; L367-F381 HydrophobicContact CD1-CG 3.83Å; L367-I385 HydrophobicContact CB-CD1 3.61Å; L367-I385 HydrophobicContact CD1-CD1 4.26Å; L367-F394 HydrophobicContact CD1-CE1 4.22Å; L367-F394 HydrophobicContact CD1-CZ 4.42Å; L367-F408 HydrophobicContact CD1-CD1 3.96Å; L367-F408 HydrophobicContact CD1-CE1 3.72Å; L367-F408 HydrophobicContact CD1-CE2 4.28Å; L367-F408 HydrophobicContact CD1-CG 4.35Å; L367-F408 HydrophobicContact CD1-CZ 3.88Å; L367-F408 HydrophobicContact CD2-CE1 4.04Å; L367-F408 HydrophobicContact CD2-CE2 4.08Å; L367-F408 HydrophobicContact CD2-CZ 3.51Å; L367-F408 HydrophobicContact CG-CD1 4.28Å; L367-F408 HydrophobicContact CG-CE1 3.54Å; L367-F408 HydrophobicContact CG-CE2 4.37Å; L367-F408 HydrophobicContact CG-CZ 3.58Å
368H98.9Very high98.6Very high0 Ų041.2 Ų41.20%021%0.21CC..EExtended strand (participates in β ladder)trans-137133.4-176.1-43.6-71.3000110.3D159 I162 T313 L316 M353 K354D159-H368 HydrophobicContact CB-CB 4.35Å; D159-H368 IonicContact OD2-CD2 3.77Å; D159-H368 IonicContact OD2-NE2 2.82Å; I162-H368 HydrophobicContact CD1-CB 3.9Å; I162-H368 HydrophobicContact CG1-CB 3.69Å; T313-H368 PolarHBondContact OG1-CE1 2.84Å; T313-H368 PolarHBondContact OG1-ND1 3.3Å; L316-H368 PolarHBondContact O-CE1 3.34Å; L316-H368 VanDerWaalsContact O-CE1 3.3Å; L316-H368 PolarHBondContact O-NE2 2.79Å; M353-H368 CarbonylContact C-O 3.57Å; M353-H368 WeakPolarHBondContact CA-O 3.5Å; K354-H368 HydrophobicContact CB-CB 4.4Å; K354-H368 PolarHBondContact N-O 3Å; K354-H368 PolarHBondContact O-N 2.79Å
369M98.9Very high98.6Very high0 Ų046.2 Ų46.20%023%0.233CC..EExtended strand (participates in β ladder)trans-148.6154.5177.452.4174.9171.900112.8I311 G312 I352 M353 L367 C374 M377 L378 F408I311-M369 CarbonylContact C-O 3.6Å; I311-M369 WeakPolarHBondContact CA-O 3.29Å; G312-M369 PolarHBondContact N-O 3.35Å; G312-M369 WeakPolarHBondContact O-CG 3.26Å; G312-M369 PolarHBondContact O-N 3.01Å; I352-M369 CarbonylContact O-C 3.37Å; I352-M369 WeakPolarHBondContact O-CA 3.26Å; I352-M369 WeakPolarHBondContact O-CB 3.35Å; M353-M369 HydrophobicContact CG-CB 4.01Å; L367-M369 HydrophobicContact CD2-CE 4.37Å; L367-M369 HydrophobicContact CD2-CG 4.34Å; M369-C374 HydrophobicContact CE-CB 4.05Å; M369-C374 WeakPolarHBondContact CE-O 3.49Å; M369-C374 HydrophobicContact CG-CB 3.91Å; M369-C374 HydrophobicContact SD-CB 3.67Å; M369-C374 PolarHBondContact SD-SG 2.92Å; M369-M377 HydrophobicContact CE-CB 4.04Å; M369-M377 HydrophobicContact CE-CG 4.18Å; M369-M377 HydrophobicContact CE-SD 4.27Å; M369-M377 HydrophobicContact SD-CB 4.47Å; M369-M377 HydrophobicContact SD-CG 4.31Å; M369-M377 HydrophobicContact SD-SD 3.63Å; M369-M377 VanDerWaalsContact SD-SD 3.63Å; M369-L378 HydrophobicContact CE-CB 3.54Å; M369-L378 HydrophobicContact CE-CD1 3.84Å; M369-L378 HydrophobicContact CE-CG 4.27Å; M369-F408 HydrophobicContact CB-CE2 4.24Å; M369-F408 HydrophobicContact CB-CZ 3.93Å; M369-F408 HydrophobicContact CG-CE2 4.27Å; M369-F408 HydrophobicContact CG-CZ 4.21Å; M369-F408 HydrophobicContact SD-CE2 3.54Å; M369-F408 VanDerWaalsContact SD-CE2 3.54Å; M369-F408 HydrophobicContact SD-CZ 4.07Å
370Q98.9Very high98.7Very high0 Ų047.2 Ų47.20%024%0.243CC..EExtended strand (participates in β ladder)trans-141.8127.4166.8-178.7171.415.800108.7I162 N165 C166 P309 P310 I311 C351 I352I162-Q370 HydrophobicContact CD1-CB 4.34Å; N165-Q370 VanDerWaalsContact ND2-CD 3.3Å; N165-Q370 PolarHBondContact ND2-OE1 3.3Å; C166-Q370 VanDerWaalsContact CA-OE1 3.31Å; P309-Q370 HydrophobicContact CG-CG 4.04Å; P309-Q370 PolarHBondContact O-NE2 2.78Å; P310-Q370 WeakPolarHBondContact O-CA 3.24Å; I311-Q370 HydrophobicContact CD1-CG 4.49Å; I311-Q370 HydrophobicContact CG1-CB 3.8Å; I311-Q370 HydrophobicContact CG1-CG 3.55Å; C351-Q370 CarbonylContact C-O 3.54Å; C351-Q370 VanDerWaalsContact CA-O 3.29Å; C351-Q370 WeakPolarHBondContact CA-O 3.35Å; I352-Q370 HydrophobicContact CD1-CB 4.37Å; I352-Q370 HydrophobicContact CG1-CB 3.87Å; I352-Q370 PolarHBondContact N-O 2.77Å; I352-Q370 PolarHBondContact O-N 2.6Å
371G98.7Very high98.7Very high0 Ų039.4 Ų39.40%021%0.209CC..SBendtrans161.8174.4-174.500000113.1P310 G373 C374P310-G371 WeakPolarHBondContact CD-O 3.29Å; P310-G371 WeakPolarHBondContact CG-O 3.33Å; P310-G371 PolarHBondContact O-N 3.43Å; G371-G373 PolarHBondContact O-N 3.34Å; G371-C374 PolarHBondContact N-SG 3.31Å; G371-C374 WeakPolarHBondContact O-CB 3.48Å; G371-C374 PolarHBondContact O-N 3.33Å; G371-C374 PolarHBondContact O-SG 3.16Å
372L98.4Very high98.7Very high54 Ų5433.1 Ų33.128%0.28318%0.181SC..THydrogen-bonded Turntrans-61.7124.9178.8-165.474.7000111.1Y10 P339 Y341Y10-L372 HydrophobicContact CE1-CD1 4.3Å; Y10-L372 WeakPolarHBondContact OH-CD1 3.4Å; P339-L372 HydrophobicContact CG-CB 4.42Å; Y341-L372 HydrophobicContact CG-CD2 4.19Å
373G98.4Very high98.8Very high31 Ų3134.7 Ų34.732%0.3219%0.193SC..THydrogen-bonded Turntrans84.31.1178.100000115.2G371 D375 E376 M377G371-G373 PolarHBondContact O-N 3.34Å; G373-D375 VanDerWaalsContact C-OD1 3.27Å; G373-D375 WeakPolarHBondContact CA-OD1 3.01Å; G373-D375 PolarHBondContact O-N 2.86Å; G373-E376 PolarHBondContact O-N 2.86Å; G373-M377 WeakPolarHBondContact O-CB 3.42Å; G373-M377 PolarHBondContact O-N 3.06Å
374C98.8Very high98.8Very high0 Ų031 Ų310%018%0.182CC..Hα-helixtrans-63.4-25.9179-69.70000113.6M369 G371 L378M369-C374 HydrophobicContact CE-CB 4.05Å; M369-C374 WeakPolarHBondContact CE-O 3.49Å; M369-C374 HydrophobicContact CG-CB 3.91Å; M369-C374 HydrophobicContact SD-CB 3.67Å; M369-C374 PolarHBondContact SD-SG 2.92Å; G371-C374 PolarHBondContact N-SG 3.31Å; G371-C374 WeakPolarHBondContact O-CB 3.48Å; G371-C374 PolarHBondContact O-N 3.33Å; G371-C374 PolarHBondContact O-SG 3.16Å; C374-L378 PolarHBondContact O-N 3.05Å
375D98.7Very high98.7Very high37 Ų3731.5 Ų31.520%0.19819%0.185CC..Hα-helixtrans-61.3-41.1175.551.8-45.8000112.8V304 F306 P310 G373V304-D375 HydrophobicContact CG1-CB 3.87Å; F306-D375 HydrophobicContact CE1-CB 4.28Å; P310-D375 HydrophobicContact CB-CB 3.94Å; P310-D375 HydrophobicContact CG-CB 4.07Å; P310-D375 WeakPolarHBondContact CG-OD1 3.39Å; G373-D375 VanDerWaalsContact C-OD1 3.27Å; G373-D375 WeakPolarHBondContact CA-OD1 3.01Å; G373-D375 PolarHBondContact O-N 2.86Å
376E98.7Very high98.7Very high154 Ų15435.3 Ų35.372%0.7220%0.2SC*.Hα-helixtrans-95.1-26.6-179.9-65.9-67.4-179.500112.8G373 L378G373-E376 PolarHBondContact O-N 2.86Å; E376-L378 PolarHBondContact O-N 2.82Å
377M98.6Very high98.7Very high30 Ų3042.9 Ų42.915%0.14824%0.237CC..Hα-helixtrans-67.2-32.8-177.8-178.5-172.3-49.400113.3M353 M369 G373 Q379 F381 S405 F408M353-M377 HydrophobicContact CE-CE 4.09Å; M353-M377 HydrophobicContact CE-SD 3.92Å; M369-M377 HydrophobicContact CE-CB 4.04Å; M369-M377 HydrophobicContact CE-CG 4.18Å; M369-M377 HydrophobicContact CE-SD 4.27Å; M369-M377 HydrophobicContact SD-CB 4.47Å; M369-M377 HydrophobicContact SD-CG 4.31Å; M369-M377 HydrophobicContact SD-SD 3.63Å; M369-M377 VanDerWaalsContact SD-SD 3.63Å; G373-M377 WeakPolarHBondContact O-CB 3.42Å; G373-M377 PolarHBondContact O-N 3.06Å; M377-Q379 VanDerWaalsContact C-N 3.33Å; M377-Q379 PolarHBondContact O-N 2.67Å; M377-F381 HydrophobicContact CG-CD2 4.14Å; M377-F381 HydrophobicContact CG-CE2 3.71Å; M377-F381 WeakPolarHBondContact O-CD2 3.26Å; M377-F381 HydrophobicContact SD-CE2 4.21Å; M377-S405 VanDerWaalsContact SD-CA 3.52Å; M377-F408 HydrophobicContact SD-CD2 4.03Å; M377-F408 HydrophobicContact SD-CE2 4Å
378L98.9Very high98.7Very high4 Ų444.1 Ų44.12%0.02125%0.249CC..Hα-helixtrans-63.4-34.3-168-176.664.2000113.9P302 T303 V304 V314 L367 M369 C374 E376 G380 F381 A382P302-L378 HydrophobicContact CB-CD2 3.81Å; P302-L378 HydrophobicContact CB-CG 4.2Å; T303-L378 WeakPolarHBondContact O-CD2 3.34Å; V304-L378 HydrophobicContact CG2-CD2 3.95Å; V314-L378 HydrophobicContact CB-CD1 4.37Å; V314-L378 HydrophobicContact CG1-CD1 3.98Å; L367-L378 HydrophobicContact CD2-CD1 3.84Å; M369-L378 HydrophobicContact CE-CB 3.54Å; M369-L378 HydrophobicContact CE-CD1 3.84Å; M369-L378 HydrophobicContact CE-CG 4.27Å; C374-L378 PolarHBondContact O-N 3.05Å; E376-L378 PolarHBondContact O-N 2.82Å; L378-G380 PolarHBondContact O-N 3.12Å; L378-F381 PolarHBondContact O-N 2.86Å; L378-A382 PolarHBondContact O-N 2.95Å
379Q98.8Very high98.7Very high125 Ų12544.6 Ų44.658%0.58425%0.254SS*.Hα-helixtrans-62.6-39.8-164.3-175.159.682.500113M377 V383M377-Q379 VanDerWaalsContact C-N 3.33Å; M377-Q379 PolarHBondContact O-N 2.67Å; Q379-V383 PolarHBondContact O-N 3.19Å
380G98.7Very high98.7Very high53 Ų5346 Ų4655%0.54626%0.262SS..Hα-helixtrans-68-42.7177.600000112.4L378 A382 V383 A384L378-G380 PolarHBondContact O-N 3.12Å; G380-A382 VanDerWaalsContact C-N 3.33Å; G380-A382 PolarHBondContact O-N 3.28Å; G380-V383 WeakPolarHBondContact O-CB 3.45Å; G380-V383 PolarHBondContact O-N 3.4Å; G380-A384 PolarHBondContact O-N 3.39Å
381F98.8Very high98.7Very high32 Ų3246.2 Ų46.214%0.1426%0.263CS..Hα-helixtrans-66.5-34.5176.9-67.7-65.5000112.8L367 M377 L378 V383 A384 I385 F394 F408 V409L367-F381 HydrophobicContact CD1-CB 3.71Å; L367-F381 HydrophobicContact CD1-CD1 4.18Å; L367-F381 HydrophobicContact CD1-CD2 4.32Å; L367-F381 HydrophobicContact CD1-CG 3.83Å; M377-F381 HydrophobicContact CG-CD2 4.14Å; M377-F381 HydrophobicContact CG-CE2 3.71Å; M377-F381 WeakPolarHBondContact O-CD2 3.26Å; M377-F381 HydrophobicContact SD-CE2 4.21Å; L378-F381 PolarHBondContact O-N 2.86Å; F381-V383 VanDerWaalsContact C-N 3.26Å; F381-V383 PolarHBondContact O-N 3.5Å; F381-A384 PolarHBondContact O-N 2.85Å; F381-I385 WeakPolarHBondContact O-CG1 3.49Å; F381-I385 PolarHBondContact O-N 3.05Å; F381-F394 HydrophobicContact CD1-CD1 4.28Å; F381-F394 AromaticContact CD1-CE1 3.35Å; F381-F394 HydrophobicContact CD1-CE1 3.35Å; F381-F394 AromaticContact CD1-CZ 3.7Å; F381-F394 HydrophobicContact CD1-CZ 3.7Å; F381-F394 HydrophobicContact CE1-CD1 4.02Å; F381-F394 AromaticContact CE1-CE1 3.51Å; F381-F394 HydrophobicContact CE1-CE1 3.51Å; F381-F394 HydrophobicContact CE1-CZ 4.28Å; F381-F394 HydrophobicContact CG-CE1 4.43Å; F381-F408 HydrophobicContact CD2-CD2 4.28Å; F381-F408 HydrophobicContact CE1-CB 3.9Å; F381-F408 HydrophobicContact CE1-CG 4.43Å; F381-F408 HydrophobicContact CE2-CB 4.32Å; F381-F408 AromaticContact CE2-CD2 3.67Å; F381-F408 HydrophobicContact CE2-CD2 3.67Å; F381-F408 HydrophobicContact CE2-CE2 4.39Å; F381-F408 HydrophobicContact CE2-CG 4.28Å; F381-F408 HydrophobicContact CZ-CB 3.61Å; F381-F408 AromaticContact CZ-CD2 3.86Å; F381-F408 HydrophobicContact CZ-CD2 3.86Å; F381-F408 HydrophobicContact CZ-CG 4.04Å; F381-V409 HydrophobicContact CE1-CG1 4.46Å
382A98.8Very high98.7Very high5 Ų548.7 Ų48.74%0.04128%0.284CS..Hα-helixtrans-61.2-35.8174.500000112.1P302 V314 L378 G380 K386P302-A382 HydrophobicContact CB-CB 3.77Å; P302-A382 HydrophobicContact CG-CB 3.87Å; V314-A382 HydrophobicContact CG2-CB 4.21Å; L378-A382 PolarHBondContact O-N 2.95Å; G380-A382 VanDerWaalsContact C-N 3.33Å; G380-A382 PolarHBondContact O-N 3.28Å; A382-K386 WeakPolarHBondContact O-CB 3.24Å; A382-K386 PolarHBondContact O-N 2.93Å
383V98.8Very high98.7Very high78 Ų7849.8 Ų49.847%0.47329%0.29SS..Hα-helixtrans-63.7-48.9172.7174.90000110.6Q379 G380 F381 I385 K386 M387Q379-V383 PolarHBondContact O-N 3.19Å; G380-V383 WeakPolarHBondContact O-CB 3.45Å; G380-V383 PolarHBondContact O-N 3.4Å; F381-V383 VanDerWaalsContact C-N 3.26Å; F381-V383 PolarHBondContact O-N 3.5Å; V383-I385 PolarHBondContact O-N 3.14Å; V383-K386 WeakPolarHBondContact O-CB 3.42Å; V383-K386 PolarHBondContact O-N 3.44Å; V383-M387 HydrophobicContact CG1-CG 4.5Å; V383-M387 HydrophobicContact CG1-SD 3.99Å; V383-M387 WeakPolarHBondContact O-CG 3.43Å; V383-M387 PolarHBondContact O-N 3.02Å
384A98.8Very high98.7Very high28 Ų2848.7 Ų48.723%0.23128%0.276CS..Hα-helixtrans-59.1-44.2179.300000112.3G380 F381 K386 M387 G388 A389G380-A384 PolarHBondContact O-N 3.39Å; F381-A384 PolarHBondContact O-N 2.85Å; A384-K386 VanDerWaalsContact C-N 3.35Å; A384-K386 PolarHBondContact O-N 3.08Å; A384-M387 WeakPolarHBondContact O-CB 3.02Å; A384-M387 PolarHBondContact O-N 3.16Å; A384-M387 VanDerWaalsContact O-N 3.17Å; A384-G388 PolarHBondContact O-N 3.05Å; A384-G388 VanDerWaalsContact O-N 3.17Å; A384-A389 HydrophobicContact CB-CB 4.03Å; A384-A389 VanDerWaalsContact O-CB 3.24Å; A384-A389 WeakPolarHBondContact O-CB 3.41Å; A384-A389 PolarHBondContact O-N 3.43Å
385I98.6Very high98.7Very high10 Ų1052.4 Ų52.45%0.05130%0.296CS..Hα-helixtrans-64.8-40.1177.1-70.4167.4000111V314 V364 L367 F381 V383 M387 G388V314-I385 HydrophobicContact CG1-CD1 3.47Å; V314-I385 VanDerWaalsContact CG1-CD1 3.47Å; V364-I385 HydrophobicContact CB-CG1 4.4Å; V364-I385 HydrophobicContact CG1-CD1 4Å; V364-I385 HydrophobicContact CG1-CG1 3.95Å; L367-I385 HydrophobicContact CB-CD1 3.61Å; L367-I385 HydrophobicContact CD1-CD1 4.26Å; F381-I385 WeakPolarHBondContact O-CG1 3.49Å; F381-I385 PolarHBondContact O-N 3.05Å; V383-I385 PolarHBondContact O-N 3.14Å; I385-M387 VanDerWaalsContact C-N 3.27Å; I385-M387 PolarHBondContact O-N 2.91Å; I385-G388 PolarHBondContact O-N 2.88Å
386K98.4Very high98.7Very high100 Ų10056.8 Ų56.844%0.43532%0.319SS..Hα-helixtrans-64.1-32.3175-164.563.4161.1-171.70112.5D297 S299 A382 V383 A384 G388D297-K386 IonicContact OD1-NZ 2.72Å; D297-K386 IonicContact OD2-NZ 3.66Å; D297-K386 PolarHBondContact OD2-NZ 3.13Å; S299-K386 PolarHBondContact O-NZ 3.35Å; A382-K386 WeakPolarHBondContact O-CB 3.24Å; A382-K386 PolarHBondContact O-N 2.93Å; V383-K386 WeakPolarHBondContact O-CB 3.42Å; V383-K386 PolarHBondContact O-N 3.44Å; A384-K386 VanDerWaalsContact C-N 3.35Å; A384-K386 PolarHBondContact O-N 3.08Å; K386-G388 PolarHBondContact O-N 2.77Å
387M98.6Very high98.7Very high160 Ų16053.3 Ų53.379%0.78831%0.309SS*.Hα-helixtrans-74.1-11.5172.8-68.9175.463.600113.3V383 A384 I385V383-M387 HydrophobicContact CG1-CG 4.5Å; V383-M387 HydrophobicContact CG1-SD 3.99Å; V383-M387 WeakPolarHBondContact O-CG 3.43Å; V383-M387 PolarHBondContact O-N 3.02Å; A384-M387 WeakPolarHBondContact O-CB 3.02Å; A384-M387 PolarHBondContact O-N 3.16Å; A384-M387 VanDerWaalsContact O-N 3.17Å; I385-M387 VanDerWaalsContact C-N 3.27Å; I385-M387 PolarHBondContact O-N 2.91Å
388G98.4Very high98.7Very high25 Ų2558.1 Ų58.126%0.25834%0.34SS..THydrogen-bonded Turntrans87.428.6179.500000114.4A384 I385 K386A384-G388 PolarHBondContact O-N 3.05Å; A384-G388 VanDerWaalsContact O-N 3.17Å; I385-G388 PolarHBondContact O-N 2.88Å; K386-G388 PolarHBondContact O-N 2.77Å
389A98.8Very high98.7Very high11 Ų1159.8 Ų59.89%0.09135%0.354CS..  trans-52.2144.9178.900000113.4V364 A384 D393 F394V364-A389 PolarHBondContact N-O 3.29Å; A384-A389 HydrophobicContact CB-CB 4.03Å; A384-A389 VanDerWaalsContact O-CB 3.24Å; A384-A389 WeakPolarHBondContact O-CB 3.41Å; A384-A389 PolarHBondContact O-N 3.43Å; A389-D393 HydrophobicContact CB-CB 4.28Å; A389-F394 HydrophobicContact CB-CD2 4.39Å; A389-F394 HydrophobicContact CB-CE2 3.96Å
390T98.9Very high98.7Very high30 Ų3059.7 Ų59.718%0.18436%0.356CS..BIsolated β-bridgetrans-100165.717363.70000110.8E361 E362 A392 D393 F394E361-T390 HydrophobicContact CB-CG2 4.47Å; E361-T390 WeakPolarHBondContact O-CB 3.12Å; E361-T390 WeakPolarHBondContact O-CG2 3.34Å; E362-T390 WeakPolarHBondContact O-CA 3.48Å; T390-A392 PolarHBondContact O-N 2.7Å; T390-A392 PolarHBondContact OG1-N 2.7Å; T390-D393 PolarHBondContact N-OD2 3.29Å; T390-D393 WeakPolarHBondContact O-CB 3.49Å; T390-D393 PolarHBondContact O-N 3.46Å; T390-D393 VanDerWaalsContact O-N 3.08Å; T390-D393 PolarHBondContact OG1-N 2.72Å; T390-D393 PolarHBondContact OG1-OD2 3.35Å; T390-F394 WeakPolarHBondContact O-CD2 3.35Å; T390-F394 PolarHBondContact O-N 3.06Å
391K98.9Very high98.7Very high3 Ų364.2 Ų64.21%0.01336%0.363CS..Hα-helixtrans-56-34.4171.5-178.656.8169.864.70112.1Y333 L355 E362 D393 F394 D395 M411Y333-K391 HydrophobicContact CD2-CD 4.34Å; Y333-K391 HydrophobicContact CE2-CD 4.18Å; Y333-K391 HydrophobicContact CE2-CG 4.05Å; L355-K391 HydrophobicContact CD1-CD 4.17Å; E362-K391 HydrophobicContact CB-CB 3.75Å; E362-K391 PolarHBondContact O-N 3.07Å; E362-K391 WeakPolarHBondContact OE2-CB 3.43Å; K391-D393 VanDerWaalsContact C-N 3.35Å; K391-D393 PolarHBondContact O-N 2.97Å; K391-F394 WeakPolarHBondContact O-CB 3.31Å; K391-F394 PolarHBondContact O-N 3.33Å; K391-D395 IonicContact NZ-OD1 2.7Å; K391-D395 PolarHBondContact NZ-OD1 3.03Å; K391-D395 IonicContact NZ-OD2 2.67Å; K391-D395 PolarHBondContact NZ-OD2 2.84Å; K391-D395 PolarHBondContact O-N 3.11Å; K391-M411 WeakPolarHBondContact CE-O 3.4Å; K391-M411 PolarHBondContact NZ-O 2.9Å
392A98.8Very high98.7Very high52 Ų5266.1 Ų66.143%0.4338%0.379SS..Hα-helixtrans-64.3-36176.300000112.9T390 F394 D395 N396T390-A392 PolarHBondContact O-N 2.7Å; T390-A392 PolarHBondContact OG1-N 2.7Å; A392-F394 VanDerWaalsContact C-N 3.31Å; A392-F394 PolarHBondContact O-N 3.25Å; A392-D395 PolarHBondContact O-N 2.75Å; A392-N396 WeakPolarHBondContact O-CB 3.27Å; A392-N396 PolarHBondContact O-N 2.92Å; A392-N396 PolarHBondContact O-ND2 2.95Å; A392-N396 VanDerWaalsContact O-ND2 3.07Å
393D98.9Very high98.7Very high78 Ų7868.1 Ų68.142%0.41739%0.391SS..Hα-helixtrans-65.4-36.5176.2-60.9-56.7000111.8A389 T390 K391 T397A389-D393 HydrophobicContact CB-CB 4.28Å; T390-D393 PolarHBondContact N-OD2 3.29Å; T390-D393 WeakPolarHBondContact O-CB 3.49Å; T390-D393 PolarHBondContact O-N 3.46Å; T390-D393 VanDerWaalsContact O-N 3.08Å; T390-D393 PolarHBondContact OG1-N 2.72Å; T390-D393 PolarHBondContact OG1-OD2 3.35Å; K391-D393 VanDerWaalsContact C-N 3.35Å; K391-D393 PolarHBondContact O-N 2.97Å; D393-T397 PolarHBondContact O-N 3.35Å; D393-T397 PolarHBondContact O-OG1 2.93Å
394F98.8Very high98.7Very high7 Ų765.5 Ų65.53%0.03138%0.375CS..Hα-helixtrans-64.5-49.1172.1-80.6-119000110.4L355 V364 L367 F381 A389 T390 K391 A392 N396 T397 F408 V409L355-F394 HydrophobicContact CD1-CD1 4.32Å; L355-F394 HydrophobicContact CD2-CE1 4.17Å; V364-F394 HydrophobicContact CB-CE2 4.41Å; V364-F394 HydrophobicContact CG1-CZ 4.49Å; V364-F394 HydrophobicContact CG2-CD2 4.16Å; V364-F394 HydrophobicContact CG2-CE2 3.96Å; L367-F394 HydrophobicContact CD1-CE1 4.22Å; L367-F394 HydrophobicContact CD1-CZ 4.42Å; F381-F394 HydrophobicContact CD1-CD1 4.28Å; F381-F394 AromaticContact CD1-CE1 3.35Å; F381-F394 HydrophobicContact CD1-CE1 3.35Å; F381-F394 AromaticContact CD1-CZ 3.7Å; F381-F394 HydrophobicContact CD1-CZ 3.7Å; F381-F394 HydrophobicContact CE1-CD1 4.02Å; F381-F394 AromaticContact CE1-CE1 3.51Å; F381-F394 HydrophobicContact CE1-CE1 3.51Å; F381-F394 HydrophobicContact CE1-CZ 4.28Å; F381-F394 HydrophobicContact CG-CE1 4.43Å; A389-F394 HydrophobicContact CB-CD2 4.39Å; A389-F394 HydrophobicContact CB-CE2 3.96Å; T390-F394 WeakPolarHBondContact O-CD2 3.35Å; T390-F394 PolarHBondContact O-N 3.06Å; K391-F394 WeakPolarHBondContact O-CB 3.31Å; K391-F394 PolarHBondContact O-N 3.33Å; A392-F394 VanDerWaalsContact C-N 3.31Å; A392-F394 PolarHBondContact O-N 3.25Å; F394-N396 VanDerWaalsContact C-N 3.3Å; F394-N396 PolarHBondContact O-N 2.93Å; F394-T397 WeakPolarHBondContact O-CB 3.41Å; F394-T397 PolarHBondContact O-N 3.19Å; F394-F408 HydrophobicContact CD1-CB 4.39Å; F394-F408 HydrophobicContact CE1-CB 4.45Å; F394-V409 HydrophobicContact CD1-CG1 4.39Å; F394-V409 WeakPolarHBondContact O-CB 3.22Å
395D98.8Very high98.7Very high78 Ų7865.9 Ų65.942%0.41738%0.377SS..Hα-helixtrans-66.1-29.7-177.5-68.2-17.8000113.7K391 A392 T397K391-D395 IonicContact NZ-OD1 2.7Å; K391-D395 PolarHBondContact NZ-OD1 3.03Å; K391-D395 IonicContact NZ-OD2 2.67Å; K391-D395 PolarHBondContact NZ-OD2 2.84Å; K391-D395 PolarHBondContact O-N 3.11Å; A392-D395 PolarHBondContact O-N 2.75Å; D395-T397 PolarHBondContact O-N 3.14Å
396N98.7Very high98.7Very high129 Ų12966.6 Ų66.669%0.6938%0.38SS*.THydrogen-bonded Turntrans-75.9-13.3175.5-71.4-29.9000112.8A392 F394A392-N396 WeakPolarHBondContact O-CB 3.27Å; A392-N396 PolarHBondContact O-N 2.92Å; A392-N396 PolarHBondContact O-ND2 2.95Å; A392-N396 VanDerWaalsContact O-ND2 3.07Å; F394-N396 VanDerWaalsContact C-N 3.3Å; F394-N396 PolarHBondContact O-N 2.93Å
397T98.9Very high98.7Very high81 Ų8164.6 Ų64.650%0.49737%0.372SS..SBendtrans-84115.4177.7-58.60000109.6D393 F394 D395 A399 V409D393-T397 PolarHBondContact O-N 3.35Å; D393-T397 PolarHBondContact O-OG1 2.93Å; F394-T397 WeakPolarHBondContact O-CB 3.41Å; F394-T397 PolarHBondContact O-N 3.19Å; D395-T397 PolarHBondContact O-N 3.14Å; T397-A399 PolarHBondContact O-N 3.16Å; T397-V409 HydrophobicContact CG2-CG1 4.32Å
398V98.7Very high98.7Very high132 Ų13257 Ų5780%0.833%0.334SS*.  trans-62.1131.8177.9-178.40000110.5
399A98.7Very high98.7Very high39 Ų3956.6 Ų56.632%0.32233%0.327SS..  trans-60.9151.5179.100000114.1T397 E406 V409 T410T397-A399 PolarHBondContact O-N 3.16Å; A399-E406 HydrophobicContact CB-CB 3.9Å; A399-V409 HydrophobicContact CB-CG2 4.18Å; A399-T410 HydrophobicContact CB-CG2 4.24Å
400I98.8Very high98.7Very high122 Ų12259.1 Ų59.163%0.62634%0.341SS*.  trans-107117.7168.6-59.7174.5000108.4T403 E406I400-T403 HydrophobicContact CG2-CG2 4.03Å; I400-T403 PolarHBondContact O-OG1 2.63Å; I400-E406 WeakPolarHBondContact O-CB 3.35Å
401H98.4Very high98.6Very high148 Ų14858.2 Ų58.269%0.68534%0.335SS*.SBendtrans-118.8138.2-170.8-170.974.7000112.8E406H401-E406 IonicContact CE1-OE1 3.59Å; H401-E406 IonicContact CE1-OE2 3.82Å; H401-E406 IonicContact CG-OE1 3.05Å; H401-E406 IonicContact CG-OE2 2.73Å; H401-E406 VanDerWaalsContact ND1-CD 3.31Å; H401-E406 IonicContact ND1-OE1 3.68Å; H401-E406 PolarHBondContact ND1-OE1 2.89Å; H401-E406 IonicContact ND1-OE2 2.86Å; H401-E406 PolarHBondContact ND1-OE2 3.23Å
402P97.8Very high98.2Very high73 Ų7371.3 Ų71.347%0.47439%0.385SS..SBendcis-94.2122.4-3.634.6-31.1000112.7M340 E406M340-P402 HydrophobicContact CE-CB 4.5Å; M340-P402 HydrophobicContact CE-CG 4.27Å; M340-P402 HydrophobicContact SD-CB 3.62Å; M340-P402 HydrophobicContact SD-CG 3.67Å; P402-E406 WeakPolarHBondContact CA-OE1 3.26Å
403T98.8Very high98.2Very high47 Ų4772.3 Ų72.329%0.28838%0.382SS..  trans-145.1148.7177.968.80000112.3I400 S405 E406I400-T403 HydrophobicContact CG2-CG2 4.03Å; I400-T403 PolarHBondContact O-OG1 2.63Å; T403-S405 WeakPolarHBondContact CB-OG 3.48Å; T403-S405 PolarHBondContact O-N 2.79Å; T403-S405 PolarHBondContact OG1-OG 2.72Å; T403-E406 PolarHBondContact N-OE1 2.7Å; T403-E406 VanDerWaalsContact O-CG 3.24Å; T403-E406 WeakPolarHBondContact O-CG 3.26Å; T403-E406 PolarHBondContact O-N 2.7Å; T403-E406 VanDerWaalsContact O-OE1 3.13Å; T403-E406 PolarHBondContact OG1-N 3.27Å
404S98.8Very high98.2Very high22 Ų2272 Ų7215%0.15438%0.381CS..G310 helixtrans-59.7-30.3169.1-61.60000112.1M353 E406 E407M353-S404 WeakPolarHBondContact CE-O 3.35Å; S404-E406 VanDerWaalsContact C-N 3.29Å; S404-E406 PolarHBondContact O-N 3.41Å; S404-E407 WeakPolarHBondContact O-CB 3.44Å; S404-E407 WeakPolarHBondContact O-CG 3.35Å; S404-E407 PolarHBondContact O-N 3.21Å
405S98.7Very high98.2Very high37 Ų3775.6 Ų75.626%0.25940%0.4SS..G310 helixtrans-66.5-26.3-177.143.10000114.6M377 T403 E407 F408M377-S405 VanDerWaalsContact SD-CA 3.52Å; T403-S405 WeakPolarHBondContact CB-OG 3.48Å; T403-S405 PolarHBondContact O-N 2.79Å; T403-S405 PolarHBondContact OG1-OG 2.72Å; S405-E407 PolarHBondContact O-N 2.92Å; S405-F408 PolarHBondContact O-N 3.39Å
406E98.7Very high98.1Very high25 Ų2575.5 Ų75.512%0.11740%0.399CS..G310 helixtrans-64.2-25-178.680.3-168.698.800112.6A399 I400 H401 P402 T403 S404 F408 V409 T410A399-E406 HydrophobicContact CB-CB 3.9Å; I400-E406 WeakPolarHBondContact O-CB 3.35Å; H401-E406 IonicContact CE1-OE1 3.59Å; H401-E406 IonicContact CE1-OE2 3.82Å; H401-E406 IonicContact CG-OE1 3.05Å; H401-E406 IonicContact CG-OE2 2.73Å; H401-E406 VanDerWaalsContact ND1-CD 3.31Å; H401-E406 IonicContact ND1-OE1 3.68Å; H401-E406 PolarHBondContact ND1-OE1 2.89Å; H401-E406 IonicContact ND1-OE2 2.86Å; H401-E406 PolarHBondContact ND1-OE2 3.23Å; P402-E406 WeakPolarHBondContact CA-OE1 3.26Å; T403-E406 PolarHBondContact N-OE1 2.7Å; T403-E406 VanDerWaalsContact O-CG 3.24Å; T403-E406 WeakPolarHBondContact O-CG 3.26Å; T403-E406 PolarHBondContact O-N 2.7Å; T403-E406 VanDerWaalsContact O-OE1 3.13Å; T403-E406 PolarHBondContact OG1-N 3.27Å; S404-E406 VanDerWaalsContact C-N 3.29Å; S404-E406 PolarHBondContact O-N 3.41Å; E406-F408 PolarHBondContact O-N 2.81Å; E406-V409 WeakPolarHBondContact O-CG2 3.44Å; E406-V409 PolarHBondContact O-N 3.17Å; E406-T410 WeakPolarHBondContact O-CG2 3.42Å; E406-T410 PolarHBondContact O-N 2.84Å; E406-T410 PolarHBondContact O-OG1 3.02Å; E406-T410 VanDerWaalsContact O-OG1 3.1Å
407E98.8Very high98.1Very high57 Ų5772.1 Ų72.127%0.26638%0.381SS..G310 helixtrans-61.1-27.4-179.9-63.5-67.1143.200112.8T335 F337 M353 S404 S405 T410 M411T335-E407 HydrophobicContact CG2-CB 4.27Å; F337-E407 HydrophobicContact CD1-CG 4.19Å; F337-E407 HydrophobicContact CE1-CB 4.06Å; F337-E407 HydrophobicContact CE1-CG 3.6Å; F337-E407 HydrophobicContact CE2-CG 4.4Å; F337-E407 HydrophobicContact CZ-CB 4.42Å; F337-E407 HydrophobicContact CZ-CG 3.71Å; M353-E407 HydrophobicContact CE-CB 4.49Å; M353-E407 HydrophobicContact SD-CB 3.78Å; S404-E407 WeakPolarHBondContact O-CB 3.44Å; S404-E407 WeakPolarHBondContact O-CG 3.35Å; S404-E407 PolarHBondContact O-N 3.21Å; S405-E407 PolarHBondContact O-N 2.92Å; E407-T410 WeakPolarHBondContact CA-OG1 3.17Å; E407-M411 WeakPolarHBondContact O-CG 3.36Å; E407-M411 PolarHBondContact O-N 3.2Å
408F98.6Very high98Very high0 Ų071.5 Ų71.50%037%0.373CS..G310 helixtrans-70.2-32.6174.9-86.2-61000113.9M353 L355 L367 M369 M377 F381 F394 S405 E406 T410 M411M353-F408 HydrophobicContact CB-CE1 3.85Å; M353-F408 HydrophobicContact CB-CE2 4.37Å; M353-F408 HydrophobicContact CB-CZ 3.76Å; M353-F408 HydrophobicContact CE-CD2 4.18Å; M353-F408 HydrophobicContact CE-CE2 3.95Å; M353-F408 HydrophobicContact CG-CE1 4.38Å; M353-F408 HydrophobicContact CG-CE2 4.01Å; M353-F408 HydrophobicContact CG-CZ 3.86Å; M353-F408 HydrophobicContact SD-CD1 4.41Å; M353-F408 HydrophobicContact SD-CD2 3.64Å; M353-F408 HydrophobicContact SD-CE1 4.31Å; M353-F408 HydrophobicContact SD-CE2 3.52Å; M353-F408 VanDerWaalsContact SD-CE2 3.52Å; M353-F408 HydrophobicContact SD-CG 4.1Å; M353-F408 HydrophobicContact SD-CZ 3.88Å; L355-F408 HydrophobicContact CD1-CD1 4.31Å; L355-F408 HydrophobicContact CD2-CD1 3.66Å; L355-F408 HydrophobicContact CD2-CE1 3.77Å; L355-F408 HydrophobicContact CG-CD1 3.89Å; L355-F408 HydrophobicContact CG-CE1 4.13Å; L367-F408 HydrophobicContact CD1-CD1 3.96Å; L367-F408 HydrophobicContact CD1-CE1 3.72Å; L367-F408 HydrophobicContact CD1-CE2 4.28Å; L367-F408 HydrophobicContact CD1-CG 4.35Å; L367-F408 HydrophobicContact CD1-CZ 3.88Å; L367-F408 HydrophobicContact CD2-CE1 4.04Å; L367-F408 HydrophobicContact CD2-CE2 4.08Å; L367-F408 HydrophobicContact CD2-CZ 3.51Å; L367-F408 HydrophobicContact CG-CD1 4.28Å; L367-F408 HydrophobicContact CG-CE1 3.54Å; L367-F408 HydrophobicContact CG-CE2 4.37Å; L367-F408 HydrophobicContact CG-CZ 3.58Å; M369-F408 HydrophobicContact CB-CE2 4.24Å; M369-F408 HydrophobicContact CB-CZ 3.93Å; M369-F408 HydrophobicContact CG-CE2 4.27Å; M369-F408 HydrophobicContact CG-CZ 4.21Å; M369-F408 HydrophobicContact SD-CE2 3.54Å; M369-F408 VanDerWaalsContact SD-CE2 3.54Å; M369-F408 HydrophobicContact SD-CZ 4.07Å; M377-F408 HydrophobicContact SD-CD2 4.03Å; M377-F408 HydrophobicContact SD-CE2 4Å; F381-F408 HydrophobicContact CD2-CD2 4.28Å; F381-F408 HydrophobicContact CE1-CB 3.9Å; F381-F408 HydrophobicContact CE1-CG 4.43Å; F381-F408 HydrophobicContact CE2-CB 4.32Å; F381-F408 AromaticContact CE2-CD2 3.67Å; F381-F408 HydrophobicContact CE2-CD2 3.67Å; F381-F408 HydrophobicContact CE2-CE2 4.39Å; F381-F408 HydrophobicContact CE2-CG 4.28Å; F381-F408 HydrophobicContact CZ-CB 3.61Å; F381-F408 AromaticContact CZ-CD2 3.86Å; F381-F408 HydrophobicContact CZ-CD2 3.86Å; F381-F408 HydrophobicContact CZ-CG 4.04Å; F394-F408 HydrophobicContact CD1-CB 4.39Å; F394-F408 HydrophobicContact CE1-CB 4.45Å; S405-F408 PolarHBondContact O-N 3.39Å; E406-F408 PolarHBondContact O-N 2.81Å; F408-T410 VanDerWaalsContact C-N 3.33Å; F408-M411 HydrophobicContact CD1-CE 3.62Å; F408-M411 HydrophobicContact CE1-CE 3.84Å; F408-M411 HydrophobicContact CG-CE 4.4Å
409V98.6Very high98Very high18 Ų1867.2 Ų67.211%0.10934%0.343CS..G310 helixtrans-93.44.7-178.2-61.10000112.4F381 F394 T397 A399 E406F381-V409 HydrophobicContact CE1-CG1 4.46Å; F394-V409 HydrophobicContact CD1-CG1 4.39Å; F394-V409 WeakPolarHBondContact O-CB 3.22Å; T397-V409 HydrophobicContact CG2-CG1 4.32Å; A399-V409 HydrophobicContact CB-CG2 4.18Å; E406-V409 WeakPolarHBondContact O-CG2 3.44Å; E406-V409 PolarHBondContact O-N 3.17Å
410T98.3Very high97.9Very high63 Ų6369.4 Ų69.439%0.38734%0.344SS..THydrogen-bonded Turntrans-126.61.5-179.859.80000114.4A399 E406 E407 F408A399-T410 HydrophobicContact CB-CG2 4.24Å; E406-T410 WeakPolarHBondContact O-CG2 3.42Å; E406-T410 PolarHBondContact O-N 2.84Å; E406-T410 PolarHBondContact O-OG1 3.02Å; E406-T410 VanDerWaalsContact O-OG1 3.1Å; E407-T410 WeakPolarHBondContact CA-OG1 3.17Å; F408-T410 VanDerWaalsContact C-N 3.33Å
411M97.2Very high97.8Very high12 Ų1265 Ų656%0.05932%0.321CS..  trans-59142.4177.8-62-160.6-176.900112.6Y333 T335 M353 L355 K391 E407 F408Y333-M411 HydrophobicContact CD1-CB 4.31Å; T335-M411 HydrophobicContact CG2-CE 3.81Å; M353-M411 HydrophobicContact CB-CE 3.39Å; M353-M411 HydrophobicContact CG-CE 4.46Å; M353-M411 HydrophobicContact SD-CE 4.33Å; L355-M411 HydrophobicContact CD1-SD 4.2Å; L355-M411 HydrophobicContact CG-SD 4.15Å; K391-M411 WeakPolarHBondContact CE-O 3.4Å; K391-M411 PolarHBondContact NZ-O 2.9Å; E407-M411 WeakPolarHBondContact O-CG 3.36Å; E407-M411 PolarHBondContact O-N 3.2Å; F408-M411 HydrophobicContact CD1-CE 3.62Å; F408-M411 HydrophobicContact CE1-CE 3.84Å; F408-M411 HydrophobicContact CG-CE 4.4Å
412R91.7Very high97.8Very high278 Ų27857.5 Ų57.5100%1.04929%0.287SS*.  trans-133.50-179.8-65.5-174.2-179.4-166.8-1.4113.2Y333Y333-R412 WeakPolarHBondContact CE1-OXT 3.14Å

Retrieved 412 of 412 residues in 107.2 ms (Link to these results)

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