A0A077ZFF7_TRITR Loading...

Beta centractin alpha centractin

AlphaFold DB , UniProt , Accession A0A077ZFF7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 370 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
1M25.1Very low23.6Very low208 Ų208128.3 Ų128.3100%1.02571%0.709SS**  0119.40-87.5-179.2-131.200106.6K34M1-K34 PolarHBondContact SD-NZ 3.39Å
2Q18.7Very low24.9Very low191 Ų191118.8 Ų118.889%0.89366%0.657SS**PPolyproline II helixtrans-67.4131172.9-79.7172-39.400108.5L4Q2-L4 PolarHBondContact O-N 2.91Å
3P21.7Very low25.8Very low124 Ų124110.3 Ų110.381%0.80561%0.61SS**PPolyproline II helixtrans-65.7128.6164.212.2-3.9000107.9A5P3-A5 PolarHBondContact O-N 2.83Å
4L20.5Very low26.7Very low137 Ų137102.9 Ų102.972%0.71757%0.569SS**PPolyproline II helixtrans-60.1122.2168.4-85.1145.9000107.7Q2 F6Q2-L4 PolarHBondContact O-N 2.91Å; L4-F6 HydrophobicContact CB-CD2 3.75Å; L4-F6 HydrophobicContact CB-CE2 3.32Å; L4-F6 HydrophobicContact CB-CZ 4.06Å; L4-F6 HydrophobicContact CD1-CE2 4.02Å; L4-F6 HydrophobicContact CD1-CZ 4.26Å; L4-F6 HydrophobicContact CD2-CE2 4.48Å; L4-F6 HydrophobicContact CD2-CZ 4.41Å; L4-F6 HydrophobicContact CG-CE2 4.13Å; L4-F6 HydrophobicContact CG-CZ 4.48Å; L4-F6 PolarHBondContact O-N 3.36Å
5A19.6Very low27.3Very low104 Ų10497 Ų9786%0.8654%0.538SS*.PPolyproline II helixtrans-68.8118.2168.100000107.6P3P3-A5 PolarHBondContact O-N 2.83Å
6F23.7Very low28Very low145 Ų14591.3 Ų91.364%0.63651%0.506SS*.  trans-120.5143.5175.1-79.3-74000109.7L4 A8L4-F6 HydrophobicContact CB-CD2 3.75Å; L4-F6 HydrophobicContact CB-CE2 3.32Å; L4-F6 HydrophobicContact CB-CZ 4.06Å; L4-F6 HydrophobicContact CD1-CE2 4.02Å; L4-F6 HydrophobicContact CD1-CZ 4.26Å; L4-F6 HydrophobicContact CD2-CE2 4.48Å; L4-F6 HydrophobicContact CD2-CZ 4.41Å; L4-F6 HydrophobicContact CG-CE2 4.13Å; L4-F6 HydrophobicContact CG-CZ 4.48Å; L4-F6 PolarHBondContact O-N 3.36Å; F6-A8 PolarHBondContact O-N 3.34Å
7D22.1Very low28.6Very low153 Ų15387.1 Ų87.182%0.81848%0.482SS*.  trans-67.5110.6178.2-67-39.2000109.6D9D7-D9 VanDerWaalsContact C-N 3.28Å; D7-D9 PolarHBondContact O-N 2.96Å
8A24Very low29.2Very low63 Ų6382.9 Ų82.952%0.52146%0.459SS..  trans-88.921.2-168.100000113.8F6 D10F6-A8 PolarHBondContact O-N 3.34Å; A8-D10 PolarHBondContact O-N 3.03Å
9D26.3Very low29.5Very low110 Ų11079.2 Ų79.259%0.58844%0.438SS*.THydrogen-bonded Turntrans-72.3-25-155.5-78-26.6000115.2D7 R219D7-D9 VanDerWaalsContact C-N 3.28Å; D7-D9 PolarHBondContact O-N 2.96Å; D9-R219 PolarHBondContact O-NE 3.1Å; D9-R219 VanDerWaalsContact O-NE 3.09Å; D9-R219 PolarHBondContact O-NH2 2.75Å
10D27.1Very low30Very low126 Ų12675.6 Ų75.667%0.67442%0.418SS*.THydrogen-bonded Turntrans-116.532.4-164.6-73.7-24.7000117.9A8 R219A8-D10 PolarHBondContact O-N 3.03Å; D10-R219 IonicContact OD1-CZ 3.97Å; D10-R219 IonicContact OD1-NH2 2.7Å; D10-R219 PolarHBondContact OD1-NH2 3.18Å
11L30.8Very low30.4Very low50 Ų5072.2 Ų72.226%0.26240%0.399SS..  trans-104.2163.9-173.2-76.5141.3000115Y41 V44L11-Y41 HydrophobicContact CD1-CE1 4.29Å; L11-Y41 HydrophobicContact CD1-CE2 3.87Å; L11-V44 HydrophobicContact CD2-CB 3.66Å; L11-V44 HydrophobicContact CD2-CG1 4.49Å; L11-V44 HydrophobicContact CD2-CG2 4.29Å
12T39.4Very low31Very low14 Ų1462.7 Ų62.79%0.08635%0.353CS..  trans-145.5141.6178.484.10000114.2V44 K214 M215T12-V44 VanDerWaalsContact O-O 3.11Å; T12-K214 HydrophobicContact CG2-CD 4.26Å; T12-K214 PolarHBondContact OG1-NZ 3.25Å; T12-M215 HydrophobicContact CG2-CG 4.45Å
13D36.5Very low32Very low9 Ų953.7 Ų53.75%0.04831%0.311CS..THydrogen-bonded Turntrans-73.2-28.2-166.4-156.221.8000118.9S15 L16 N17 D161 E218 G297D13-S15 VanDerWaalsContact C-N 3.3Å; D13-S15 PolarHBondContact O-N 3.23Å; D13-L16 CarbonylContact O-C 3.35Å; D13-L16 WeakPolarHBondContact O-CA 3.42Å; D13-L16 WeakPolarHBondContact O-CB 3.32Å; D13-L16 PolarHBondContact O-N 3.41Å; D13-L16 VanDerWaalsContact OD1-CB 3.31Å; D13-L16 WeakPolarHBondContact OD1-CB 3.46Å; D13-L16 VanDerWaalsContact OD1-CD2 3.25Å; D13-L16 WeakPolarHBondContact OD1-CD2 3.28Å; D13-N17 PolarHBondContact O-N 3.1Å; D13-D161 HydrophobicContact CB-CB 4.2Å; D13-E218 PolarHBondContact N-OE1 3.39Å; D13-G297 WeakPolarHBondContact OD2-CA 3.44Å
14D38.2Very low32.9Very low7 Ų747.8 Ų47.84%0.03727%0.273CS..Hα-helixtrans-62.6-34.1174.4-90.8-55.4000115.4L16 N17 I18 Y72 D161 R187 K214D14-L16 PolarHBondContact O-N 3.18Å; D14-N17 WeakPolarHBondContact O-CB 3.47Å; D14-N17 PolarHBondContact O-N 2.63Å; D14-N17 PolarHBondContact OD1-ND2 3.4Å; D14-I18 PolarHBondContact O-N 2.85Å; D14-Y72 HydrophobicContact CB-CD1 4.31Å; D14-Y72 HydrophobicContact CB-CE1 3.99Å; D14-D161 VanDerWaalsContact CG-CG 3.41Å; D14-R187 IonicContact OD1-CZ 3.88Å; D14-R187 IonicContact OD1-NE 3.21Å; D14-R187 IonicContact OD1-NH2 3.87Å; D14-R187 PolarHBondContact OD1-NH2 2.97Å; D14-R187 IonicContact OD2-CZ 2.7Å; D14-R187 IonicContact OD2-NE 3.01Å; D14-R187 PolarHBondContact OD2-NE 3.22Å; D14-R187 IonicContact OD2-NH1 3.05Å; D14-R187 IonicContact OD2-NH2 3.96Å; D14-R187 PolarHBondContact OD2-NH2 2.94Å; D14-K214 IonicContact OD2-NZ 2.77Å
15S36.4Very low33.9Very low14 Ų1441.5 Ų41.510%0.09824%0.239CC..Hα-helixtrans-66-21.5170.7-570000110D13 L19 V44 G45D13-S15 VanDerWaalsContact C-N 3.3Å; D13-S15 PolarHBondContact O-N 3.23Å; S15-L19 VanDerWaalsContact O-CB 3.29Å; S15-L19 WeakPolarHBondContact O-CB 3.47Å; S15-L19 PolarHBondContact O-N 3.08Å; S15-V44 WeakPolarHBondContact CB-O 3.5Å; S15-G45 WeakPolarHBondContact OG-CA 3.44Å; S15-G45 PolarHBondContact OG-N 3.03Å
16L37.4Very low35.1Very low5 Ų536.8 Ų36.83%0.02620%0.2CC..Hα-helixtrans-79.5-24.6169.9-149.999.4000114D13 D14 L19 N20 V44 L331 F332D13-L16 CarbonylContact O-C 3.35Å; D13-L16 WeakPolarHBondContact O-CA 3.42Å; D13-L16 WeakPolarHBondContact O-CB 3.32Å; D13-L16 PolarHBondContact O-N 3.41Å; D13-L16 VanDerWaalsContact OD1-CB 3.31Å; D13-L16 WeakPolarHBondContact OD1-CB 3.46Å; D13-L16 VanDerWaalsContact OD1-CD2 3.25Å; D13-L16 WeakPolarHBondContact OD1-CD2 3.28Å; D14-L16 PolarHBondContact O-N 3.18Å; L16-L19 VanDerWaalsContact CA-CB 3.44Å; L16-L19 HydrophobicContact CB-CB 4.4Å; L16-L19 HydrophobicContact CD1-CB 4.39Å; L16-L19 HydrophobicContact CD1-CD2 3.62Å; L16-L19 HydrophobicContact CG-CB 4.18Å; L16-L19 HydrophobicContact CG-CD2 4.2Å; L16-L19 CarbonylContact O-C 3.58Å; L16-L19 WeakPolarHBondContact O-CA 3.47Å; L16-L19 WeakPolarHBondContact O-CB 3.5Å; L16-L19 PolarHBondContact O-N 3.34Å; L16-N20 WeakPolarHBondContact O-CB 3.25Å; L16-N20 PolarHBondContact O-N 2.86Å; L16-V44 HydrophobicContact CB-CG1 3.89Å; L16-V44 HydrophobicContact CD1-CG1 3.66Å; L16-V44 HydrophobicContact CG-CG1 4.36Å; L16-L331 HydrophobicContact CD1-CD1 4.33Å; L16-L331 HydrophobicContact CD1-CD2 4.38Å; L16-L331 HydrophobicContact CD1-CG 4.07Å; L16-L331 HydrophobicContact CD2-CD1 3.35Å; L16-L331 HydrophobicContact CD2-CG 3.74Å; L16-L331 HydrophobicContact CG-CD1 4.43Å; L16-F332 HydrophobicContact CD1-CE1 4.1Å
17N38.3Very low35.9Very low20 Ų2030.3 Ų30.311%0.10717%0.172CC..Hα-helixtrans-66.1-47.8167.9-85.4-25.3000110.2D13 D14 L19 N20 F21D13-N17 PolarHBondContact O-N 3.1Å; D14-N17 WeakPolarHBondContact O-CB 3.47Å; D14-N17 PolarHBondContact O-N 2.63Å; D14-N17 PolarHBondContact OD1-ND2 3.4Å; N17-L19 PolarHBondContact O-N 3.31Å; N17-N20 PolarHBondContact O-N 3.1Å; N17-F21 WeakPolarHBondContact O-CB 3.26Å; N17-F21 PolarHBondContact O-N 2.78Å
18I39.3Very low36.6Very low12 Ų1224.2 Ų24.26%0.06214%0.143CC..Hα-helixtrans-59-44.4170.5-58.8167000107.4D14 N20 F21 L22 M74 M85 I88D14-I18 PolarHBondContact O-N 2.85Å; I18-N20 PolarHBondContact O-N 3.32Å; I18-F21 CarbonylContact O-C 3.18Å; I18-F21 PolarHBondContact O-N 2.77Å; I18-L22 HydrophobicContact CB-CD1 4.39Å; I18-L22 HydrophobicContact CG2-CD1 3.21Å; I18-L22 HydrophobicContact CG2-CG 3.85Å; I18-L22 WeakPolarHBondContact O-CB 3.49Å; I18-L22 WeakPolarHBondContact O-CD1 3.47Å; I18-L22 WeakPolarHBondContact O-CG 3.3Å; I18-L22 PolarHBondContact O-N 2.91Å; I18-M74 HydrophobicContact CG1-SD 4.27Å; I18-M85 HydrophobicContact CG2-CE 4.43Å; I18-I88 HydrophobicContact CD1-CD1 3.97Å; I18-I88 HydrophobicContact CG2-CD1 4.12Å; I18-I88 HydrophobicContact CG2-CG2 3.91Å
19L36.3Very low37.1Very low12 Ų1223.8 Ų23.86%0.06314%0.135CC..Hα-helixtrans-61.5-40176.5-149.583.9000114S15 L16 N17 L22 A23 I40 V44S15-L19 VanDerWaalsContact O-CB 3.29Å; S15-L19 WeakPolarHBondContact O-CB 3.47Å; S15-L19 PolarHBondContact O-N 3.08Å; L16-L19 VanDerWaalsContact CA-CB 3.44Å; L16-L19 HydrophobicContact CB-CB 4.4Å; L16-L19 HydrophobicContact CD1-CB 4.39Å; L16-L19 HydrophobicContact CD1-CD2 3.62Å; L16-L19 HydrophobicContact CG-CB 4.18Å; L16-L19 HydrophobicContact CG-CD2 4.2Å; L16-L19 CarbonylContact O-C 3.58Å; L16-L19 WeakPolarHBondContact O-CA 3.47Å; L16-L19 WeakPolarHBondContact O-CB 3.5Å; L16-L19 PolarHBondContact O-N 3.34Å; N17-L19 PolarHBondContact O-N 3.31Å; L19-L22 CarbonylContact O-C 3.47Å; L19-L22 VanDerWaalsContact O-C 3.23Å; L19-L22 PolarHBondContact O-N 2.83Å; L19-A23 WeakPolarHBondContact O-CA 3.3Å; L19-A23 WeakPolarHBondContact O-CB 3.49Å; L19-A23 PolarHBondContact O-N 2.86Å; L19-I40 HydrophobicContact CD1-CB 4.01Å; L19-I40 HydrophobicContact CD1-CG1 4.36Å; L19-I40 HydrophobicContact CD1-CG2 3.22Å; L19-I40 HydrophobicContact CD2-CG2 3.33Å; L19-I40 HydrophobicContact CG-CG2 3.41Å; L19-I40 VanDerWaalsContact CG-CG2 3.41Å; L19-V44 HydrophobicContact CD1-CG2 3.74Å; L19-V44 HydrophobicContact CD2-CG2 3.92Å; L19-V44 HydrophobicContact CG-CG2 4.35Å
20N38.1Very low37.6Very low8 Ų828.4 Ų28.44%0.04315%0.15CC..Hα-helixtrans-70.7-40.8-179.4-88.5-26.7000108.7L16 N17 I18 L22 A23 T110L16-N20 WeakPolarHBondContact O-CB 3.25Å; L16-N20 PolarHBondContact O-N 2.86Å; N17-N20 PolarHBondContact O-N 3.1Å; I18-N20 PolarHBondContact O-N 3.32Å; N20-L22 VanDerWaalsContact C-N 3.28Å; N20-L22 PolarHBondContact O-N 3.26Å; N20-A23 WeakPolarHBondContact O-CB 3.35Å; N20-A23 PolarHBondContact O-N 2.83Å; N20-T110 WeakPolarHBondContact O-CB 3.41Å; N20-T110 VanDerWaalsContact O-CG2 3.31Å; N20-T110 WeakPolarHBondContact O-CG2 3.09Å; N20-T110 PolarHBondContact O-OG1 2.7Å
21F38.3Very low38.1Very low5 Ų525.4 Ų25.42%0.02215%0.149CC..Hα-helixtrans-61.3-37.4170.3-131.5-82.7000112.1N17 I18 M74 I79 L109 T110 E111 P112N17-F21 WeakPolarHBondContact O-CB 3.26Å; N17-F21 PolarHBondContact O-N 2.78Å; I18-F21 CarbonylContact O-C 3.18Å; I18-F21 PolarHBondContact O-N 2.77Å; F21-M74 HydrophobicContact CB-CE 3.62Å; F21-M74 HydrophobicContact CB-SD 4.34Å; F21-M74 HydrophobicContact CD1-CE 3.76Å; F21-M74 HydrophobicContact CD2-CE 3.73Å; F21-M74 HydrophobicContact CD2-SD 4.32Å; F21-M74 HydrophobicContact CE1-CE 4.35Å; F21-M74 HydrophobicContact CE2-CE 4.3Å; F21-M74 HydrophobicContact CG-CE 3.42Å; F21-M74 VanDerWaalsContact CG-CE 3.42Å; F21-M74 HydrophobicContact CG-SD 4.4Å; F21-I79 HydrophobicContact CD1-CD1 4.46Å; F21-I79 HydrophobicContact CE1-CD1 3.92Å; F21-I79 HydrophobicContact CZ-CD1 4.22Å; F21-L109 HydrophobicContact CD1-CD1 4.18Å; F21-L109 HydrophobicContact CD1-CG 4.3Å; F21-L109 HydrophobicContact CE1-CD2 4.13Å; F21-L109 HydrophobicContact CE1-CG 4.28Å; F21-L109 VanDerWaalsContact O-CD1 3.26Å; F21-L109 WeakPolarHBondContact O-CD1 3.39Å; F21-T110 WeakPolarHBondContact CA-OG1 3.28Å; F21-T110 VanDerWaalsContact CD1-O 3.28Å; F21-T110 WeakPolarHBondContact CD1-O 3.45Å; F21-T110 VanDerWaalsContact CE1-O 3.29Å; F21-T110 WeakPolarHBondContact CE1-O 3.4Å; F21-E111 HydrophobicContact CE2-CB 4.44Å; F21-E111 HydrophobicContact CZ-CB 4.15Å; F21-P112 HydrophobicContact CE2-CG 4.4Å
22L37.8Very low38.6Very low8 Ų824.9 Ų24.94%0.04215%0.146CC..Hα-helixtrans-88-7.9177.5-66.7173.9000114.1I18 L19 N20 V24 L25 M85 I88 W89 L92I18-L22 HydrophobicContact CB-CD1 4.39Å; I18-L22 HydrophobicContact CG2-CD1 3.21Å; I18-L22 HydrophobicContact CG2-CG 3.85Å; I18-L22 WeakPolarHBondContact O-CB 3.49Å; I18-L22 WeakPolarHBondContact O-CD1 3.47Å; I18-L22 WeakPolarHBondContact O-CG 3.3Å; I18-L22 PolarHBondContact O-N 2.91Å; L19-L22 CarbonylContact O-C 3.47Å; L19-L22 VanDerWaalsContact O-C 3.23Å; L19-L22 PolarHBondContact O-N 2.83Å; N20-L22 VanDerWaalsContact C-N 3.28Å; N20-L22 PolarHBondContact O-N 3.26Å; L22-V24 PolarHBondContact O-N 3.46Å; L22-L25 HydrophobicContact CD2-CD1 4.25Å; L22-L25 WeakPolarHBondContact O-CB 3.34Å; L22-L25 PolarHBondContact O-N 3.31Å; L22-M85 HydrophobicContact CD2-CE 3.91Å; L22-M85 HydrophobicContact CG-CE 4.33Å; L22-I88 HydrophobicContact CD1-CG2 3.82Å; L22-W89 HydrophobicContact CD2-CG 4.5Å; L22-L92 HydrophobicContact CB-CD1 4.29Å; L22-L92 HydrophobicContact CD1-CD1 3.38Å; L22-L92 HydrophobicContact CD1-CD2 4.11Å; L22-L92 HydrophobicContact CD1-CG 4.25Å; L22-L92 HydrophobicContact CD2-CD1 3.2Å; L22-L92 HydrophobicContact CG-CD1 3.76Å
23A39.3Very low38.6Very low2 Ų226.2 Ų26.22%0.01715%0.154CC..THydrogen-bonded Turntrans-64.9-22.6-155.300000110.1L19 N20 W335L19-A23 WeakPolarHBondContact O-CA 3.3Å; L19-A23 WeakPolarHBondContact O-CB 3.49Å; L19-A23 PolarHBondContact O-N 2.86Å; N20-A23 WeakPolarHBondContact O-CB 3.35Å; N20-A23 PolarHBondContact O-N 2.83Å; A23-W335 HydrophobicContact CB-CB 4Å; A23-W335 HydrophobicContact CB-CG 4.29Å; A23-W335 PolarHBondContact O-NE1 3.08Å
24V41.4Very low38.3Very low0 Ų032.7 Ų32.70%018%0.182CC..THydrogen-bonded Turntrans-118.119.8-172.2-146.90000110.8L22 I26 L27 L108 T110 L144L22-V24 PolarHBondContact O-N 3.46Å; V24-I26 PolarHBondContact O-N 3.04Å; V24-L27 HydrophobicContact CB-CD1 4.46Å; V24-L27 HydrophobicContact CG1-CB 4.22Å; V24-L27 HydrophobicContact CG1-CD1 3.29Å; V24-L27 HydrophobicContact CG1-CG 4.28Å; V24-L108 CarbonylContact C-O 3.59Å; V24-L108 WeakPolarHBondContact CA-O 3.21Å; V24-L108 HydrophobicContact CB-CB 3.8Å; V24-L108 HydrophobicContact CB-CD2 3.42Å; V24-L108 VanDerWaalsContact CB-CD2 3.42Å; V24-L108 HydrophobicContact CB-CG 4.01Å; V24-L108 VanDerWaalsContact CB-O 3.27Å; V24-L108 WeakPolarHBondContact CB-O 3.49Å; V24-L108 HydrophobicContact CG1-CB 3.5Å; V24-L108 HydrophobicContact CG1-CD1 3.76Å; V24-L108 HydrophobicContact CG1-CD2 3.58Å; V24-L108 HydrophobicContact CG1-CG 3.73Å; V24-L108 HydrophobicContact CG2-CD2 3.78Å; V24-L108 CarbonylContact O-C 3.41Å; V24-L108 PolarHBondContact O-N 2.91Å; V24-T110 HydrophobicContact CB-CG2 4.36Å; V24-T110 HydrophobicContact CG2-CG2 3.48Å; V24-T110 VanDerWaalsContact CG2-CG2 3.48Å; V24-L144 HydrophobicContact CG2-CD1 4.22Å
25L41.9Very low38.1Very low4 Ų438.1 Ų38.12%0.02121%0.205CC..SBendtrans-57.6-24-173.5-150.379.6000113.5L22 L92 Y93 V107 L108 L109 F127L22-L25 HydrophobicContact CD2-CD1 4.25Å; L22-L25 WeakPolarHBondContact O-CB 3.34Å; L22-L25 PolarHBondContact O-N 3.31Å; L25-L92 HydrophobicContact CD2-CB 4.34Å; L25-L92 HydrophobicContact CD2-CD1 3.86Å; L25-Y93 HydrophobicContact CD2-CE2 3.74Å; L25-V107 HydrophobicContact CD1-CG1 3.84Å; L25-V107 HydrophobicContact CG-CG1 4.13Å; L25-V107 WeakPolarHBondContact O-CG2 3.28Å; L25-L108 PolarHBondContact N-O 2.86Å; L25-L109 HydrophobicContact CD1-CD1 4.07Å; L25-F127 HydrophobicContact CD1-CE1 3.61Å; L25-F127 HydrophobicContact CD1-CE2 4.46Å; L25-F127 HydrophobicContact CD1-CZ 3.39Å; L25-F127 HydrophobicContact CG-CE1 4.29Å; L25-F127 HydrophobicContact CG-CZ 4.49Å
26I43.7Very low38Very low6 Ų637.7 Ų37.73%0.03120%0.203CC..SBendtrans-140.685.9179.8-52.7-170.1000111.1V24 I32 Y93 L98 T100 H105V24-I26 PolarHBondContact O-N 3.04Å; I26-I32 HydrophobicContact CG2-CG2 3.92Å; I26-Y93 HydrophobicContact CD1-CD1 4.07Å; I26-Y93 HydrophobicContact CD1-CE1 3.6Å; I26-Y93 HydrophobicContact CG1-CE1 4.14Å; I26-L98 HydrophobicContact CD1-CB 3.85Å; I26-L98 HydrophobicContact CD1-CD1 3.23Å; I26-L98 HydrophobicContact CD1-CD2 4.19Å; I26-L98 HydrophobicContact CD1-CG 3.9Å; I26-L98 HydrophobicContact CG1-CD1 3.84Å; I26-T100 VanDerWaalsContact CD1-OG1 3.31Å; I26-T100 WeakPolarHBondContact CD1-OG1 3.42Å; I26-H105 HydrophobicContact CG2-CB 4.06Å
27L41.2Very low37.7Very low9 Ų940.9 Ų40.95%0.04722%0.217CC..  trans-140.389.6174.4-87163.9000111.5V24 V33 A342V24-L27 HydrophobicContact CB-CD1 4.46Å; V24-L27 HydrophobicContact CG1-CB 4.22Å; V24-L27 HydrophobicContact CG1-CD1 3.29Å; V24-L27 HydrophobicContact CG1-CG 4.28Å; L27-V33 HydrophobicContact CD2-CB 3.95Å; L27-V33 HydrophobicContact CD2-CG1 3.87Å; L27-V33 HydrophobicContact CD2-CG2 3.38Å; L27-A342 HydrophobicContact CB-CB 3.58Å; L27-A342 HydrophobicContact CD1-CB 4.42Å; L27-A342 HydrophobicContact CD2-CB 4.5Å; L27-A342 HydrophobicContact CG-CB 4.37Å
28A36.9Very low37.2Very low25 Ų2545.7 Ų45.721%0.20724%0.241CC..  trans-156.6-10.8149.300000115.7P106 W351A28-P106 HydrophobicContact CB-CG 3.22Å; A28-W351 HydrophobicContact CB-CH2 4.3Å; A28-W351 HydrophobicContact CB-CZ3 3.77Å
29C35Very low36.9Very low54 Ų5446.2 Ų46.237%0.36524%0.244SC..SBendtrans-92.7121177-71.30000110.5G31 I32 H105C29-G31 PolarHBondContact O-N 3.3Å; C29-I32 HydrophobicContact CB-CD1 4.16Å; C29-I32 PolarHBondContact O-N 2.96Å; C29-I32 VanDerWaalsContact O-N 3.12Å; C29-H105 PolarHBondContact SG-ND1 2.93Å; C29-H105 VanDerWaalsContact SG-ND1 3.41Å
30K36.6Very low36.7Very low206 Ų20646.4 Ų46.490%0.89625%0.245SC*.THydrogen-bonded Turntrans-47.412.6-173-96-179.1172.3179.80119
31G36.7Very low36.2Very low64 Ų6449.5 Ų49.566%0.6626%0.257SS*.THydrogen-bonded Turntrans-142.9-9.8177.600000115.7C29C29-G31 PolarHBondContact O-N 3.3Å
32I40.9Very low35.8Very low38 Ų3856.6 Ų56.620%0.19529%0.29CS..THydrogen-bonded Turntrans-89.2-16.5-172.6-61.3173.4000112.4I26 C29 K34 K35 A36 T100 H105I26-I32 HydrophobicContact CG2-CG2 3.92Å; C29-I32 HydrophobicContact CB-CD1 4.16Å; C29-I32 PolarHBondContact O-N 2.96Å; C29-I32 VanDerWaalsContact O-N 3.12Å; I32-K34 PolarHBondContact O-N 3.46Å; I32-K34 VanDerWaalsContact O-N 3.07Å; I32-K35 PolarHBondContact O-N 3.49Å; I32-A36 PolarHBondContact O-N 3.17Å; I32-A36 VanDerWaalsContact O-N 3.08Å; I32-T100 HydrophobicContact CD1-CG2 4.48Å; I32-H105 VanDerWaalsContact CD1-CE1 3.43Å; I32-H105 WeakPolarHBondContact CD1-CE1 3.5Å; I32-H105 WeakPolarHBondContact CD1-NE2 3.34Å
33V40.2Very low35.7Very low42 Ų4257.6 Ų57.626%0.25529%0.294SS..Hα-helixtrans-48.5-43.7-178-178.30000112.5L27 W335 S339L27-V33 HydrophobicContact CD2-CB 3.95Å; L27-V33 HydrophobicContact CD2-CG1 3.87Å; L27-V33 HydrophobicContact CD2-CG2 3.38Å; V33-W335 HydrophobicContact CG1-CH2 4.27Å; V33-S339 WeakPolarHBondContact CG1-OG 3.24Å
34K30.9Very low35.5Very low145 Ų14557.7 Ų57.763%0.6330%0.295SS*.Hα-helixtrans-72.4-35.4179.6-81.3-170.9173.6-174.40113.7M1 I32M1-K34 PolarHBondContact SD-NZ 3.39Å; I32-K34 PolarHBondContact O-N 3.46Å; I32-K34 VanDerWaalsContact O-N 3.07Å
35K32.5Very low35.1Very low122 Ų12259.2 Ų59.253%0.5331%0.31SS..Hα-helixtrans-74.4-40.8-174.5-133.8-175.2-178.3-165.80110.6I32 F37 L38 I39I32-K35 PolarHBondContact O-N 3.49Å; K35-F37 VanDerWaalsContact C-N 3.34Å; K35-F37 PolarHBondContact O-N 2.9Å; K35-L38 PolarHBondContact O-N 2.85Å; K35-I39 HydrophobicContact CG-CD1 4.34Å; K35-I39 WeakPolarHBondContact O-CD1 3.23Å; K35-I39 WeakPolarHBondContact O-CG1 3.32Å; K35-I39 PolarHBondContact O-N 3.48Å
36A35.5Very low34.7Very low5 Ų565.1 Ų65.14%0.04133%0.332CS..Hα-helixtrans-58.8-44.3176.100000111.7I32 L38 I39 I40 L98I32-A36 PolarHBondContact O-N 3.17Å; I32-A36 VanDerWaalsContact O-N 3.08Å; A36-L38 PolarHBondContact O-N 3.47Å; A36-I39 PolarHBondContact O-N 2.86Å; A36-I40 HydrophobicContact CB-CD1 4.38Å; A36-I40 WeakPolarHBondContact O-CB 3.28Å; A36-I40 WeakPolarHBondContact O-CD1 3.23Å; A36-I40 WeakPolarHBondContact O-CG1 3.19Å; A36-I40 PolarHBondContact O-N 3.01Å; A36-L98 HydrophobicContact CB-CD2 3.91Å
37F31.3Very low34.5Very low72 Ų7265.4 Ų65.432%0.31633%0.333SS..Hα-helixtrans-57.2-44177.8-170.3-99.3000113.2K35 Y41 W335K35-F37 VanDerWaalsContact C-N 3.34Å; K35-F37 PolarHBondContact O-N 2.9Å; F37-Y41 PolarHBondContact O-N 3.17Å; F37-W335 HydrophobicContact CB-CH2 3.88Å; F37-W335 HydrophobicContact CB-CZ2 3.7Å; F37-W335 AromaticContact CD2-CD2 3.75Å; F37-W335 HydrophobicContact CD2-CD2 3.75Å; F37-W335 AromaticContact CD2-CE2 3.7Å; F37-W335 AromaticContact CD2-CE3 3.62Å; F37-W335 HydrophobicContact CD2-CE3 3.62Å; F37-W335 AromaticContact CD2-CH2 3.5Å; F37-W335 HydrophobicContact CD2-CH2 3.5Å; F37-W335 VanDerWaalsContact CD2-CH2 3.5Å; F37-W335 AromaticContact CD2-CZ2 3.62Å; F37-W335 HydrophobicContact CD2-CZ2 3.62Å; F37-W335 AromaticContact CD2-CZ3 3.48Å; F37-W335 HydrophobicContact CD2-CZ3 3.48Å; F37-W335 VanDerWaalsContact CD2-CZ3 3.48Å; F37-W335 HydrophobicContact CE2-CD2 4.2Å; F37-W335 AromaticContact CE2-CE3 3.81Å; F37-W335 HydrophobicContact CE2-CE3 3.81Å; F37-W335 HydrophobicContact CE2-CH2 4.35Å; F37-W335 AromaticContact CE2-CZ3 3.89Å; F37-W335 HydrophobicContact CE2-CZ3 3.89Å; F37-W335 AromaticContact CG-CH2 3.98Å; F37-W335 HydrophobicContact CG-CH2 3.98Å; F37-W335 HydrophobicContact CG-CZ2 4.1Å; F37-W335 HydrophobicContact CG-CZ3 4.33Å
38L27.7Very low34.2Very low120 Ų12065.7 Ų65.763%0.62833%0.334SS*.Hα-helixtrans-66.8-42.4-177.3-132.995.3000112.2K35 A36 Y41 E42K35-L38 PolarHBondContact O-N 2.85Å; A36-L38 PolarHBondContact O-N 3.47Å; L38-Y41 PolarHBondContact O-N 3.02Å; L38-E42 PolarHBondContact O-N 3.4Å
39I33Very low34.2Very low24 Ų2465.4 Ų65.412%0.12333%0.329CS..Hα-helixtrans-72.7-39.9-176.8-69.8160000110.9K35 A36 Y41 E42 M97 L98K35-I39 HydrophobicContact CG-CD1 4.34Å; K35-I39 WeakPolarHBondContact O-CD1 3.23Å; K35-I39 WeakPolarHBondContact O-CG1 3.32Å; K35-I39 PolarHBondContact O-N 3.48Å; A36-I39 PolarHBondContact O-N 2.86Å; I39-Y41 VanDerWaalsContact C-N 3.28Å; I39-Y41 PolarHBondContact O-N 3.33Å; I39-E42 PolarHBondContact O-N 3.36Å; I39-M97 WeakPolarHBondContact CD1-O 3.49Å; I39-M97 HydrophobicContact CG2-CB 3.8Å; I39-M97 HydrophobicContact CG2-CE 3.44Å; I39-M97 VanDerWaalsContact CG2-CE 3.44Å; I39-M97 HydrophobicContact CG2-CG 4.36Å; I39-M97 HydrophobicContact CG2-SD 3.72Å; I39-L98 HydrophobicContact CD1-CD2 4.19Å; I39-L98 HydrophobicContact CG2-CD2 4.47Å
40I32.4Very low34Very low16 Ų1663.6 Ų63.68%0.08232%0.318CS..Hα-helixtrans-58.3-42.8174.6-80.1174.9000109.7L19 A36 F43 V44L19-I40 HydrophobicContact CD1-CB 4.01Å; L19-I40 HydrophobicContact CD1-CG1 4.36Å; L19-I40 HydrophobicContact CD1-CG2 3.22Å; L19-I40 HydrophobicContact CD2-CG2 3.33Å; L19-I40 HydrophobicContact CG-CG2 3.41Å; L19-I40 VanDerWaalsContact CG-CG2 3.41Å; A36-I40 HydrophobicContact CB-CD1 4.38Å; A36-I40 WeakPolarHBondContact O-CB 3.28Å; A36-I40 WeakPolarHBondContact O-CD1 3.23Å; A36-I40 WeakPolarHBondContact O-CG1 3.19Å; A36-I40 PolarHBondContact O-N 3.01Å; I40-F43 PolarHBondContact O-N 3.16Å; I40-V44 WeakPolarHBondContact O-CG2 3.06Å
41Y26.6Very low33.6Very low73 Ų7356.8 Ų56.829%0.28631%0.307SS..Hα-helixtrans-63-40.6178.2-169.3-99.5000114.1L11 F37 L38 I39 F43 F332L11-Y41 HydrophobicContact CD1-CE1 4.29Å; L11-Y41 HydrophobicContact CD1-CE2 3.87Å; F37-Y41 PolarHBondContact O-N 3.17Å; L38-Y41 PolarHBondContact O-N 3.02Å; I39-Y41 VanDerWaalsContact C-N 3.28Å; I39-Y41 PolarHBondContact O-N 3.33Å; Y41-F43 VanDerWaalsContact C-N 3.26Å; Y41-F43 PolarHBondContact O-N 3.06Å; Y41-F332 HydrophobicContact CD2-CZ 4.34Å; Y41-F332 HydrophobicContact CE2-CZ 4.35Å
42E29.8Very low33.3Very low154 Ų15456.4 Ų56.472%0.7230%0.303SS*.Hα-helixtrans-69.2-19.4-179.2-81-171.9160.600114L38 I39L38-E42 PolarHBondContact O-N 3.4Å; I39-E42 PolarHBondContact O-N 3.36Å
43F35.1Very low33Very low28 Ų2863.4 Ų63.412%0.12334%0.34CS..Hα-helixtrans-103.2-5-174.9-161.4-104.3000115.4I40 Y41 G45 R46 Y47 Y91 M97I40-F43 PolarHBondContact O-N 3.16Å; Y41-F43 VanDerWaalsContact C-N 3.26Å; Y41-F43 PolarHBondContact O-N 3.06Å; F43-G45 PolarHBondContact O-N 3.02Å; F43-R46 HydrophobicContact CD2-CB 4.46Å; F43-R46 HydrophobicContact CE2-CB 4.33Å; F43-R46 PolarHBondContact O-N 3.09Å; F43-Y47 HydrophobicContact CE1-CD2 4.03Å; F43-Y47 AromaticContact CZ-CD2 3.92Å; F43-Y47 HydrophobicContact CZ-CD2 3.92Å; F43-Y91 HydrophobicContact CD1-CE1 4.27Å; F43-Y91 AromaticContact CD2-CE1 3.6Å; F43-Y91 HydrophobicContact CD2-CE1 3.6Å; F43-Y91 HydrophobicContact CE1-CD1 4.2Å; F43-Y91 AromaticContact CE1-CE1 3.97Å; F43-Y91 HydrophobicContact CE1-CE1 3.97Å; F43-Y91 HydrophobicContact CE2-CD1 4.16Å; F43-Y91 AromaticContact CE2-CE1 3.24Å; F43-Y91 HydrophobicContact CE2-CE1 3.24Å; F43-Y91 AromaticContact CE2-CZ 3.64Å; F43-Y91 HydrophobicContact CG-CE1 4.1Å; F43-Y91 AromaticContact CZ-CD1 3.89Å; F43-Y91 HydrophobicContact CZ-CD1 3.89Å; F43-Y91 AromaticContact CZ-CE1 3.44Å; F43-Y91 HydrophobicContact CZ-CE1 3.44Å; F43-Y91 VanDerWaalsContact CZ-CE1 3.44Å; F43-M97 HydrophobicContact CB-CE 3.51Å; F43-M97 HydrophobicContact CB-SD 4.17Å; F43-M97 HydrophobicContact CD1-CE 4.4Å; F43-M97 HydrophobicContact CD2-CE 4.45Å; F43-M97 HydrophobicContact CD2-SD 4.3Å; F43-M97 HydrophobicContact CG-CE 3.89Å; F43-M97 HydrophobicContact CG-SD 4.32Å
44V35.8Very low32.7Very low5 Ų564.3 Ų64.33%0.0335%0.352CS..THydrogen-bonded Turntrans-69.834-173.9-157.70000114.1L11 T12 S15 L16 L19 I40L11-V44 HydrophobicContact CD2-CB 3.66Å; L11-V44 HydrophobicContact CD2-CG1 4.49Å; L11-V44 HydrophobicContact CD2-CG2 4.29Å; T12-V44 VanDerWaalsContact O-O 3.11Å; S15-V44 WeakPolarHBondContact CB-O 3.5Å; L16-V44 HydrophobicContact CB-CG1 3.89Å; L16-V44 HydrophobicContact CD1-CG1 3.66Å; L16-V44 HydrophobicContact CG-CG1 4.36Å; L19-V44 HydrophobicContact CD1-CG2 3.74Å; L19-V44 HydrophobicContact CD2-CG2 3.92Å; L19-V44 HydrophobicContact CG-CG2 4.35Å; I40-V44 WeakPolarHBondContact O-CG2 3.06Å
45G32.7Very low33Very low32 Ų3260.2 Ų60.233%0.3334%0.342SS..THydrogen-bonded Turntrans-165.211171.800000115.4S15 F43S15-G45 WeakPolarHBondContact OG-CA 3.44Å; S15-G45 PolarHBondContact OG-N 3.03Å; F43-G45 PolarHBondContact O-N 3.02Å
46R34.3Very low33.3Very low127 Ų12756.3 Ų56.348%0.47933%0.33SS..  trans-129.433.6-163.7-60.1-173.2179.1-171.32.9115.4F43 F48 V62F43-R46 HydrophobicContact CD2-CB 4.46Å; F43-R46 HydrophobicContact CE2-CB 4.33Å; F43-R46 PolarHBondContact O-N 3.09Å; R46-F48 HydrophobicContact CB-CE2 4.45Å; R46-V62 HydrophobicContact CB-CG2 4.18Å; R46-V62 HydrophobicContact CG-CG2 3.76Å
47Y38.7Very low33.8Very low12 Ų1257.6 Ų57.65%0.04734%0.335CS..  trans-89.9116.4169.3-156.1-107.7000111.6F43 V49 F57 D84 I88F43-Y47 HydrophobicContact CE1-CD2 4.03Å; F43-Y47 AromaticContact CZ-CD2 3.92Å; F43-Y47 HydrophobicContact CZ-CD2 3.92Å; Y47-V49 HydrophobicContact CD1-CG2 3.87Å; Y47-V49 HydrophobicContact CE1-CG2 3.16Å; Y47-F57 HydrophobicContact CD2-CD1 4.32Å; Y47-F57 HydrophobicContact CD2-CE1 4.35Å; Y47-F57 AromaticContact CE2-CD1 3.47Å; Y47-F57 HydrophobicContact CE2-CD1 3.47Å; Y47-F57 VanDerWaalsContact CE2-CD1 3.47Å; Y47-F57 AromaticContact CE2-CE1 3.16Å; Y47-F57 HydrophobicContact CE2-CE1 3.16Å; Y47-F57 AromaticContact CE2-CZ 3.94Å; Y47-F57 HydrophobicContact CE2-CZ 3.94Å; Y47-F57 AromaticContact CZ-CE1 3.55Å; Y47-F57 AromaticContact CZ-CZ 3.88Å; Y47-F57 WeakPolarHBondContact OH-CE1 3.29Å; Y47-F57 WeakPolarHBondContact OH-CZ 3.45Å; Y47-D84 PolarHBondContact OH-O 3.21Å; Y47-I88 HydrophobicContact CD1-CD1 4.25Å; Y47-I88 HydrophobicContact CD2-CD1 4.34Å; Y47-I88 HydrophobicContact CD2-CG1 3.99Å; Y47-I88 HydrophobicContact CE1-CD1 3.91Å; Y47-I88 HydrophobicContact CE1-CG1 3.92Å; Y47-I88 HydrophobicContact CE2-CD1 4.06Å; Y47-I88 HydrophobicContact CE2-CG1 3.35Å; Y47-I88 HydrophobicContact CG-CD1 4.44Å; Y47-I88 WeakPolarHBondContact OH-CG1 3.46Å
48F36Very low34.4Very low15 Ų1561.6 Ų61.67%0.06635%0.348CS..  trans-130.5110176.9-65.6-93.3000108.4R46 A61 V62 R65 L68 I70R46-F48 HydrophobicContact CB-CE2 4.45Å; F48-A61 HydrophobicContact CB-CB 3.26Å; F48-A61 HydrophobicContact CD1-CB 4.42Å; F48-A61 HydrophobicContact CD2-CB 3.61Å; F48-A61 HydrophobicContact CG-CB 3.52Å; F48-V62 HydrophobicContact CD2-CG2 4.33Å; F48-V62 HydrophobicContact CE2-CB 4.11Å; F48-V62 HydrophobicContact CE2-CG2 3.44Å; F48-V62 VanDerWaalsContact CE2-CG2 3.44Å; F48-V62 HydrophobicContact CZ-CB 4.31Å; F48-V62 HydrophobicContact CZ-CG2 4.03Å; F48-R65 HydrophobicContact CD1-CB 4.34Å; F48-R65 HydrophobicContact CE1-CB 3.43Å; F48-R65 VanDerWaalsContact CE1-CB 3.43Å; F48-R65 HydrophobicContact CZ-CB 3.93Å; F48-L68 HydrophobicContact CB-CD1 4.38Å; F48-I70 HydrophobicContact CD1-CD1 3.9Å; F48-I70 HydrophobicContact CD1-CG1 3.8Å; F48-I70 HydrophobicContact CE1-CD1 3.61Å; F48-I70 HydrophobicContact CE1-CG1 4.05Å
49V35.4Very low35.3Very low19 Ų1959.8 Ų59.812%0.11534%0.343CS..  trans-94101.1168.5-175.50000107.5Y47 G51Y47-V49 HydrophobicContact CD1-CG2 3.87Å; Y47-V49 HydrophobicContact CE1-CG2 3.16Å; V49-G51 PolarHBondContact O-N 3.44Å; V49-G51 VanDerWaalsContact O-N 3.16Å
50A30.9Very low35.8Very low16 Ų1664.1 Ų64.113%0.13236%0.361CS..  trans-59118.9171.100000109.7G52 L68A50-G52 PolarHBondContact O-N 3.37Å; A50-L68 HydrophobicContact CB-CD1 4.04Å; A50-L68 HydrophobicContact CB-CD2 3.39Å; A50-L68 HydrophobicContact CB-CG 4.23Å
51G28.8Very low36.5Very low63 Ų6363.4 Ų63.465%0.64936%0.358SS*.SBendtrans-60.4102.2166.800000110.1V49V49-G51 PolarHBondContact O-N 3.44Å; V49-G51 VanDerWaalsContact O-N 3.16Å
52G31.1Very low37.6Very low56 Ų5662 Ų6258%0.57736%0.357SS*.SBendtrans138.979.3174.600000113.1A50 A54A50-G52 PolarHBondContact O-N 3.37Å; G52-A54 PolarHBondContact O-N 2.97Å
53N34Very low38.5Very low185 Ų18561.5 Ų61.599%0.98935%0.354SS*.SBendtrans46.6-0.4169.9-71.7-1.8000119.4
54A33.6Very low39.4Very low61 Ų6165.9 Ų65.950%0.50437%0.371SS..  trans-126.581-176.700000108.5G52 S56G52-A54 PolarHBondContact O-N 2.97Å; A54-S56 PolarHBondContact O-N 3.26Å; A54-S56 VanDerWaalsContact O-N 3.13Å
55S37.3Very low40.4Very low59 Ų5970.5 Ų70.541%0.41339%0.388SS..  trans-67.1105.7168.438.60000108.9
56S38.9Very low41.6Very low41 Ų4171.2 Ų71.229%0.28740%0.395SS..  trans-113.5105.9-178.467.60000111.8A54 R58A54-S56 PolarHBondContact O-N 3.26Å; A54-S56 VanDerWaalsContact O-N 3.13Å; S56-R58 PolarHBondContact O-N 3.12Å
57F46.4Very low42.7Very low32 Ų3272.1 Ų72.114%0.1441%0.408CS..  trans-7515.3-178.4-66.2-104.6000114.6Y47 L87 Y91Y47-F57 HydrophobicContact CD2-CD1 4.32Å; Y47-F57 HydrophobicContact CD2-CE1 4.35Å; Y47-F57 AromaticContact CE2-CD1 3.47Å; Y47-F57 HydrophobicContact CE2-CD1 3.47Å; Y47-F57 VanDerWaalsContact CE2-CD1 3.47Å; Y47-F57 AromaticContact CE2-CE1 3.16Å; Y47-F57 HydrophobicContact CE2-CE1 3.16Å; Y47-F57 AromaticContact CE2-CZ 3.94Å; Y47-F57 HydrophobicContact CE2-CZ 3.94Å; Y47-F57 AromaticContact CZ-CE1 3.55Å; Y47-F57 AromaticContact CZ-CZ 3.88Å; Y47-F57 WeakPolarHBondContact OH-CE1 3.29Å; Y47-F57 WeakPolarHBondContact OH-CZ 3.45Å; F57-L87 HydrophobicContact CE1-CB 3.89Å; F57-L87 VanDerWaalsContact CE1-O 3.3Å; F57-L87 WeakPolarHBondContact CE1-O 3.24Å; F57-L87 HydrophobicContact CE2-CB 4.11Å; F57-L87 HydrophobicContact CE2-CD1 4.46Å; F57-L87 HydrophobicContact CZ-CB 3.26Å; F57-L87 HydrophobicContact CZ-CD1 4.09Å; F57-L87 HydrophobicContact CZ-CG 4.2Å; F57-Y91 HydrophobicContact CB-CD2 3.39Å; F57-Y91 HydrophobicContact CB-CE2 3.59Å; F57-Y91 HydrophobicContact CB-CG 4.01Å; F57-Y91 VanDerWaalsContact CD1-CB 3.41Å; F57-Y91 HydrophobicContact CD1-CD1 4.17Å; F57-Y91 AromaticContact CD1-CD2 3.76Å; F57-Y91 HydrophobicContact CD1-CD2 3.76Å; F57-Y91 AromaticContact CD1-CG 3.49Å; F57-Y91 HydrophobicContact CD1-CG 3.49Å; F57-Y91 VanDerWaalsContact CD1-CG 3.49Å; F57-Y91 HydrophobicContact CE1-CG 4.39Å; F57-Y91 AromaticContact CG-CD2 3.79Å; F57-Y91 HydrophobicContact CG-CD2 3.79Å; F57-Y91 HydrophobicContact CG-CE2 4.45Å; F57-Y91 HydrophobicContact CG-CG 4.03Å
58R44.4Very low43.7Very low156 Ų15673.2 Ų73.259%0.58942%0.415SS*.SBendtrans-95.1157.1-160.5-67-169.1-178.6-156.53.9112.8S56 K60 A61S56-R58 PolarHBondContact O-N 3.12Å; R58-K60 HydrophobicContact CB-CB 4.16Å; R58-K60 PolarHBondContact O-N 3.14Å; R58-A61 WeakPolarHBondContact O-CB 3.39Å; R58-A61 PolarHBondContact O-N 2.97Å
59P45.6Very low44.9Very low81 Ų8174.9 Ų74.953%0.52643%0.428SS..THydrogen-bonded Turntrans-48.4-30.1163.7-2632.7000113.4A61 V62P59-A61 PolarHBondContact O-N 3.29Å; P59-V62 VanDerWaalsContact O-CB 3.27Å; P59-V62 WeakPolarHBondContact O-CB 3.4Å; P59-V62 PolarHBondContact O-N 3.4Å
60K43.7Very low46.2Very low116 Ų11675 Ų7550%0.50443%0.428SS..Hα-helixtrans-55.2-31.4174.1-71.1-169.4173.7-171.40113.7R58 V62 E63 Y64R58-K60 HydrophobicContact CB-CB 4.16Å; R58-K60 PolarHBondContact O-N 3.14Å; K60-V62 PolarHBondContact O-N 3.36Å; K60-E63 WeakPolarHBondContact O-CA 3.48Å; K60-E63 VanDerWaalsContact O-CB 3.28Å; K60-E63 WeakPolarHBondContact O-CB 3.37Å; K60-E63 PolarHBondContact O-N 3.43Å; K60-Y64 HydrophobicContact CB-CD2 4.47Å; K60-Y64 HydrophobicContact CB-CE2 4.39Å; K60-Y64 WeakPolarHBondContact O-CD2 3.27Å; K60-Y64 PolarHBondContact O-N 3.06Å; K60-Y64 VanDerWaalsContact O-N 3.07Å
61A47.4Very low48Very low1 Ų179 Ų791%0.00844%0.444CS..Hα-helixtrans-70.2-23.3-178.200000112.1F48 R58 P59 Y64 R65 L68F48-A61 HydrophobicContact CB-CB 3.26Å; F48-A61 HydrophobicContact CD1-CB 4.42Å; F48-A61 HydrophobicContact CD2-CB 3.61Å; F48-A61 HydrophobicContact CG-CB 3.52Å; R58-A61 WeakPolarHBondContact O-CB 3.39Å; R58-A61 PolarHBondContact O-N 2.97Å; P59-A61 PolarHBondContact O-N 3.29Å; A61-Y64 CarbonylContact O-C 3.38Å; A61-Y64 PolarHBondContact O-N 3.43Å; A61-R65 WeakPolarHBondContact O-CA 3.49Å; A61-R65 PolarHBondContact O-N 2.98Å; A61-L68 HydrophobicContact CB-CD1 3.96Å
62V48.9Very low50.1Low43 Ų4378.3 Ų78.326%0.26142%0.422SS..Hα-helixtrans-64.5-43.2165.7-175.10000110.7R46 F48 P59 K60 Y64 R65R46-V62 HydrophobicContact CB-CG2 4.18Å; R46-V62 HydrophobicContact CG-CG2 3.76Å; F48-V62 HydrophobicContact CD2-CG2 4.33Å; F48-V62 HydrophobicContact CE2-CB 4.11Å; F48-V62 HydrophobicContact CE2-CG2 3.44Å; F48-V62 VanDerWaalsContact CE2-CG2 3.44Å; F48-V62 HydrophobicContact CZ-CB 4.31Å; F48-V62 HydrophobicContact CZ-CG2 4.03Å; P59-V62 VanDerWaalsContact O-CB 3.27Å; P59-V62 WeakPolarHBondContact O-CB 3.4Å; P59-V62 PolarHBondContact O-N 3.4Å; K60-V62 PolarHBondContact O-N 3.36Å; V62-Y64 PolarHBondContact O-N 3.32Å; V62-R65 VanDerWaalsContact O-CB 3.29Å; V62-R65 WeakPolarHBondContact O-CB 3.39Å; V62-R65 VanDerWaalsContact O-CG 3.23Å; V62-R65 WeakPolarHBondContact O-CG 3.35Å; V62-R65 PolarHBondContact O-N 3.21Å; V62-R65 VanDerWaalsContact O-N 3.12Å
63E49.7Very low52.2Low144 Ų14475.7 Ų75.767%0.67340%0.395SS*.Hα-helixtrans-60.2-35177-58.9178.7155.800111.2K60K60-E63 WeakPolarHBondContact O-CA 3.48Å; K60-E63 VanDerWaalsContact O-CB 3.28Å; K60-E63 WeakPolarHBondContact O-CB 3.37Å; K60-E63 PolarHBondContact O-N 3.43Å
64Y54.2Low54.2Low120 Ų12067.4 Ų67.447%0.47135%0.35SS..THydrogen-bonded Turntrans-98.316.2178.3-59.5-67.7000113.8K60 A61 V62 G66 L67 L68K60-Y64 HydrophobicContact CB-CD2 4.47Å; K60-Y64 HydrophobicContact CB-CE2 4.39Å; K60-Y64 WeakPolarHBondContact O-CD2 3.27Å; K60-Y64 PolarHBondContact O-N 3.06Å; K60-Y64 VanDerWaalsContact O-N 3.07Å; A61-Y64 CarbonylContact O-C 3.38Å; A61-Y64 PolarHBondContact O-N 3.43Å; V62-Y64 PolarHBondContact O-N 3.32Å; Y64-G66 PolarHBondContact O-N 2.97Å; Y64-L67 HydrophobicContact CD1-CD1 3.88Å; Y64-L67 WeakPolarHBondContact O-CA 3.27Å; Y64-L67 PolarHBondContact O-N 2.97Å; Y64-L68 WeakPolarHBondContact O-CG 3.45Å; Y64-L68 PolarHBondContact O-N 3.21Å; Y64-L68 VanDerWaalsContact O-N 3.09Å
65R56.5Low56.5Low102 Ų10270.1 Ų70.139%0.38535%0.352SS..THydrogen-bonded Turntrans-54.9-30.4-175.368.4-176.9-176.4161.1-0.7114.2F48 A61 V62 L67F48-R65 HydrophobicContact CD1-CB 4.34Å; F48-R65 HydrophobicContact CE1-CB 3.43Å; F48-R65 VanDerWaalsContact CE1-CB 3.43Å; F48-R65 HydrophobicContact CZ-CB 3.93Å; A61-R65 WeakPolarHBondContact O-CA 3.49Å; A61-R65 PolarHBondContact O-N 2.98Å; V62-R65 VanDerWaalsContact O-CB 3.29Å; V62-R65 WeakPolarHBondContact O-CB 3.39Å; V62-R65 VanDerWaalsContact O-CG 3.23Å; V62-R65 WeakPolarHBondContact O-CG 3.35Å; V62-R65 PolarHBondContact O-N 3.21Å; V62-R65 VanDerWaalsContact O-N 3.12Å; R65-L67 VanDerWaalsContact C-N 3.33Å
66G57.5Low58.6Low46 Ų4670.8 Ų70.847%0.47435%0.349SS..THydrogen-bonded Turntrans-79.6-12.9177.300000114.5Y64Y64-G66 PolarHBondContact O-N 2.97Å
67L57.5Low60.4Low146 Ų14669.2 Ų69.276%0.76434%0.339SS*.THydrogen-bonded Turntrans-105.7-15.2178.9-58.6-177.2000112.9Y64 R65Y64-L67 HydrophobicContact CD1-CD1 3.88Å; Y64-L67 WeakPolarHBondContact O-CA 3.27Å; Y64-L67 PolarHBondContact O-N 2.97Å; R65-L67 VanDerWaalsContact C-N 3.33Å
68L59.9Low62Low36 Ų3669.1 Ų69.119%0.18834%0.341CS..SBendtrans-106.1139-177.3-60-178.2000111.1F48 A50 A61 Y64F48-L68 HydrophobicContact CB-CD1 4.38Å; A50-L68 HydrophobicContact CB-CD1 4.04Å; A50-L68 HydrophobicContact CB-CD2 3.39Å; A50-L68 HydrophobicContact CB-CG 4.23Å; A61-L68 HydrophobicContact CB-CD1 3.96Å; Y64-L68 WeakPolarHBondContact O-CG 3.45Å; Y64-L68 PolarHBondContact O-N 3.21Å; Y64-L68 VanDerWaalsContact O-N 3.09Å
69S60.4Low63.9Low49 Ų4962 Ų6234%0.34331%0.314SS..  trans-75.9141163.157.90000109.3H71S69-H71 PolarHBondContact OG-NE2 2.96Å
70I64.1Low65.7Low23 Ų2361.7 Ų61.712%0.11831%0.311CS..  trans-104.7126179-55.9174.2000107.7F48 Y72 E211F48-I70 HydrophobicContact CD1-CD1 3.9Å; F48-I70 HydrophobicContact CD1-CG1 3.8Å; F48-I70 HydrophobicContact CE1-CD1 3.61Å; F48-I70 HydrophobicContact CE1-CG1 4.05Å; I70-Y72 HydrophobicContact CG2-CE1 4.31Å; I70-Y72 HydrophobicContact CG2-CE2 3.88Å; I70-E211 HydrophobicContact CD1-CG 4.45Å
71H69.1Low67.6Low98 Ų9858.9 Ų58.945%0.45430%0.302SS..  trans-121.5144.6176.6-67.3-79000110.2S69S69-H71 PolarHBondContact OG-NE2 2.96Å
72Y71.2Confident69.5Low50 Ų5060.7 Ų60.720%0.19631%0.308CS..  trans-116.7135.3178.9-56.1-90.6000109D14 I70 M74 E211D14-Y72 HydrophobicContact CB-CD1 4.31Å; D14-Y72 HydrophobicContact CB-CE1 3.99Å; I70-Y72 HydrophobicContact CG2-CE1 4.31Å; I70-Y72 HydrophobicContact CG2-CE2 3.88Å; Y72-M74 PolarHBondContact O-N 3.41Å; Y72-E211 PolarHBondContact OH-OE1 2.82Å
73P75.7Confident71.3Confident0 Ų063.9 Ų63.90%032%0.324CS..SBendtrans-76.7-5.7179.229.4-34.3000114T80 N81 D84 M85 I88P73-T80 PolarHBondContact O-N 2.87Å; P73-T80 PolarHBondContact O-OG1 3.33Å; P73-T80 VanDerWaalsContact O-OG1 3.14Å; P73-N81 HydrophobicContact CB-CB 4.31Å; P73-N81 VanDerWaalsContact CB-O 3.3Å; P73-N81 WeakPolarHBondContact CB-O 3.31Å; P73-N81 PolarHBondContact O-N 3.06Å; P73-N81 VanDerWaalsContact O-N 3.08Å; P73-D84 HydrophobicContact CB-CB 3.81Å; P73-M85 HydrophobicContact CB-CB 4.18Å; P73-M85 HydrophobicContact CB-SD 4.5Å; P73-M85 HydrophobicContact CG-SD 3.99Å; P73-I88 HydrophobicContact CG-CD1 3.58Å
74M76.8Confident72.7Confident12 Ų1258.3 Ų58.36%0.05930%0.299CS..EExtended strand (participates in β ladder)trans-124.1140.6-175.6-69.2177172.300110.6I18 F21 Y72 V78 I79 M85I18-M74 HydrophobicContact CG1-SD 4.27Å; F21-M74 HydrophobicContact CB-CE 3.62Å; F21-M74 HydrophobicContact CB-SD 4.34Å; F21-M74 HydrophobicContact CD1-CE 3.76Å; F21-M74 HydrophobicContact CD2-CE 3.73Å; F21-M74 HydrophobicContact CD2-SD 4.32Å; F21-M74 HydrophobicContact CE1-CE 4.35Å; F21-M74 HydrophobicContact CE2-CE 4.3Å; F21-M74 HydrophobicContact CG-CE 3.42Å; F21-M74 VanDerWaalsContact CG-CE 3.42Å; F21-M74 HydrophobicContact CG-SD 4.4Å; Y72-M74 PolarHBondContact O-N 3.41Å; M74-V78 CarbonylContact C-O 2.83Å; M74-V78 VanDerWaalsContact CA-O 3.26Å; M74-V78 WeakPolarHBondContact CA-O 3.42Å; M74-I79 HydrophobicContact CE-CD1 3.89Å; M74-I79 HydrophobicContact CE-CG1 3.41Å; M74-I79 VanDerWaalsContact CE-CG1 3.41Å; M74-I79 HydrophobicContact CG-CG1 3.9Å; M74-I79 HydrophobicContact SD-CG1 4.46Å; M74-M85 HydrophobicContact CE-CE 3.57Å; M74-M85 HydrophobicContact CE-SD 3.61Å
75E80.8Confident73.9Confident117 Ų11752.6 Ų52.655%0.54728%0.277SS..EExtended strand (participates in β ladder)trans-132131.7172.2-66.1-177.7-179.400109.1G77 V78 T80E75-G77 PolarHBondContact O-N 3.49Å; E75-G77 VanDerWaalsContact O-N 3.1Å; E75-V78 PolarHBondContact N-O 2.87Å; E75-V78 PolarHBondContact O-N 2.84Å; E75-T80 HydrophobicContact CB-CG2 4.01Å; E75-T80 HydrophobicContact CG-CG2 4.18Å
76H82.1Confident75.2Confident73 Ų7349.8 Ų49.834%0.33827%0.268SS..THydrogen-bonded Turntrans49.239.1-179.4-48.9108.5000113.2V78 G162 V163 R181 N183H76-V78 VanDerWaalsContact C-N 3.3Å; H76-V78 PolarHBondContact O-N 3.43Å; H76-G162 PolarHBondContact CD2-O 3.37Å; H76-G162 VanDerWaalsContact CD2-O 3.28Å; H76-V163 HydrophobicContact CB-CG1 3.92Å; H76-V163 WeakPolarHBondContact O-CG1 3.4Å; H76-R181 PolarHBondContact O-NH2 3.4Å; H76-N183 HydrophobicContact CB-CB 4.5Å
77G76.6Confident76.3Confident8 Ų849.8 Ų49.88%0.08226%0.257CS..THydrogen-bonded Turntrans781.8-179.500000115.8E75 P112E75-G77 PolarHBondContact O-N 3.49Å; E75-G77 VanDerWaalsContact O-N 3.1Å; G77-P112 WeakPolarHBondContact O-CG 3.18Å
78V80.4Confident77.1Confident30 Ų3043 Ų4318%0.18222%0.221CC..EExtended strand (participates in β ladder)trans-109.5134.4-179.5-178.40000109.8M74 E75 H76 T80 N119M74-V78 CarbonylContact C-O 2.83Å; M74-V78 VanDerWaalsContact CA-O 3.26Å; M74-V78 WeakPolarHBondContact CA-O 3.42Å; E75-V78 PolarHBondContact N-O 2.87Å; E75-V78 PolarHBondContact O-N 2.84Å; H76-V78 VanDerWaalsContact C-N 3.3Å; H76-V78 PolarHBondContact O-N 3.43Å; V78-T80 PolarHBondContact O-N 3.44Å; V78-N119 WeakPolarHBondContact CG1-ND2 3.5Å
79I83Confident78Confident6 Ų641.2 Ų41.23%0.03121%0.212CC..EExtended strand (participates in β ladder)trans-68.7119.6173.2-59.4164.5000109.2F21 M74 W82 M85 W89 N119F21-I79 HydrophobicContact CD1-CD1 4.46Å; F21-I79 HydrophobicContact CE1-CD1 3.92Å; F21-I79 HydrophobicContact CZ-CD1 4.22Å; M74-I79 HydrophobicContact CE-CD1 3.89Å; M74-I79 HydrophobicContact CE-CG1 3.41Å; M74-I79 VanDerWaalsContact CE-CG1 3.41Å; M74-I79 HydrophobicContact CG-CG1 3.9Å; M74-I79 HydrophobicContact SD-CG1 4.46Å; I79-W82 HydrophobicContact CB-CH2 4.27Å; I79-W82 HydrophobicContact CB-CZ2 4.01Å; I79-W82 HydrophobicContact CD1-CE3 4.44Å; I79-W82 HydrophobicContact CD1-CH2 3.71Å; I79-W82 HydrophobicContact CD1-CZ2 4.32Å; I79-W82 HydrophobicContact CD1-CZ3 3.8Å; I79-W82 HydrophobicContact CG2-CD2 3.73Å; I79-W82 HydrophobicContact CG2-CE3 4.03Å; I79-W82 HydrophobicContact CG2-CG 4.12Å; I79-W82 HydrophobicContact CG2-CH2 4.37Å; I79-W82 HydrophobicContact CG2-CZ2 4.09Å; I79-W82 HydrophobicContact CG2-CZ3 4.36Å; I79-M85 HydrophobicContact CD1-CG 4.07Å; I79-M85 HydrophobicContact CG1-CG 4.4Å; I79-M85 HydrophobicContact CG2-CB 4.08Å; I79-M85 HydrophobicContact CG2-CG 4.36Å; I79-W89 HydrophobicContact CD1-CH2 4.28Å; I79-W89 HydrophobicContact CD1-CZ2 4.34Å; I79-N119 PolarHBondContact O-ND2 3.19Å
80T83.7Confident78.9Confident75 Ų7543.1 Ų43.146%0.4622%0.215SC..  trans-103.8-38.8176.356.30000111.4P73 E75 V78P73-T80 PolarHBondContact O-N 2.87Å; P73-T80 PolarHBondContact O-OG1 3.33Å; P73-T80 VanDerWaalsContact O-OG1 3.14Å; E75-T80 HydrophobicContact CB-CG2 4.01Å; E75-T80 HydrophobicContact CG-CG2 4.18Å; V78-T80 PolarHBondContact O-N 3.44Å
81N84.6Confident79.2Confident57 Ų5743.7 Ų43.731%0.30522%0.216SC..  trans-112.1102.4175.9-170.2-14.2000111.5P73 N83 D84 M85P73-N81 HydrophobicContact CB-CB 4.31Å; P73-N81 VanDerWaalsContact CB-O 3.3Å; P73-N81 WeakPolarHBondContact CB-O 3.31Å; P73-N81 PolarHBondContact O-N 3.06Å; P73-N81 VanDerWaalsContact O-N 3.08Å; N81-N83 PolarHBondContact OD1-N 2.94Å; N81-N83 VanDerWaalsContact OD1-N 3.1Å; N81-D84 HydrophobicContact CB-CB 4.19Å; N81-D84 PolarHBondContact ND2-OD1 3.29Å; N81-D84 PolarHBondContact ND2-OD2 3.44Å; N81-D84 PolarHBondContact OD1-N 3.38Å; N81-M85 WeakPolarHBondContact O-CB 3.48Å; N81-M85 PolarHBondContact O-N 3.09Å; N81-M85 VanDerWaalsContact O-N 3.16Å
82W86.8Confident79.4Confident39 Ų3939.5 Ų39.515%0.14820%0.197CC..Hα-helixtrans-71.9-31.4-179.6-71.492.9000113.9I79 M85 E86 W89 N119 R122 A123 F126I79-W82 HydrophobicContact CB-CH2 4.27Å; I79-W82 HydrophobicContact CB-CZ2 4.01Å; I79-W82 HydrophobicContact CD1-CE3 4.44Å; I79-W82 HydrophobicContact CD1-CH2 3.71Å; I79-W82 HydrophobicContact CD1-CZ2 4.32Å; I79-W82 HydrophobicContact CD1-CZ3 3.8Å; I79-W82 HydrophobicContact CG2-CD2 3.73Å; I79-W82 HydrophobicContact CG2-CE3 4.03Å; I79-W82 HydrophobicContact CG2-CG 4.12Å; I79-W82 HydrophobicContact CG2-CH2 4.37Å; I79-W82 HydrophobicContact CG2-CZ2 4.09Å; I79-W82 HydrophobicContact CG2-CZ3 4.36Å; W82-M85 PolarHBondContact O-N 3.42Å; W82-E86 WeakPolarHBondContact O-CB 3.28Å; W82-E86 PolarHBondContact O-N 3.16Å; W82-W89 HydrophobicContact CE3-CH2 4.38Å; W82-W89 HydrophobicContact CE3-CZ3 4.47Å; W82-W89 AromaticContact CZ3-CH2 3.91Å; W82-W89 HydrophobicContact CZ3-CH2 3.91Å; W82-W89 HydrophobicContact CZ3-CZ3 4.36Å; W82-N119 HydrophobicContact CH2-CB 4.39Å; W82-N119 WeakPolarHBondContact CH2-O 3.18Å; W82-N119 HydrophobicContact CZ2-CB 3.97Å; W82-R122 HydrophobicContact CD2-CB 4.44Å; W82-R122 HydrophobicContact CD2-CG 3.58Å; W82-R122 HydrophobicContact CE3-CB 4.44Å; W82-R122 HydrophobicContact CE3-CG 3.68Å; W82-R122 HydrophobicContact CG-CG 4.24Å; W82-R122 HydrophobicContact CH2-CB 3.73Å; W82-R122 HydrophobicContact CH2-CG 3.87Å; W82-R122 HydrophobicContact CZ2-CB 3.73Å; W82-R122 HydrophobicContact CZ2-CG 3.79Å; W82-R122 HydrophobicContact CZ3-CB 4.08Å; W82-R122 HydrophobicContact CZ3-CG 3.79Å; W82-A123 HydrophobicContact CH2-CB 4.02Å; W82-A123 HydrophobicContact CZ3-CB 4.02Å; W82-F126 HydrophobicContact CB-CE2 3.95Å; W82-F126 HydrophobicContact CB-CZ 4.16Å; W82-F126 HydrophobicContact CD2-CE2 4.03Å; W82-F126 AromaticContact CE3-CD2 3.64Å; W82-F126 HydrophobicContact CE3-CD2 3.64Å; W82-F126 AromaticContact CE3-CE2 3.42Å; W82-F126 HydrophobicContact CE3-CE2 3.42Å; W82-F126 VanDerWaalsContact CE3-CE2 3.42Å; W82-F126 HydrophobicContact CG-CE2 4.28Å; W82-F126 HydrophobicContact CZ3-CD2 4.02Å; W82-F126 HydrophobicContact CZ3-CE2 4.24Å
83N87.1Confident79.5Confident110 Ų11038 Ų3859%0.58819%0.191SC*.Hα-helixtrans-67.6-45.5179.3-62.6-21.9000110N81 M85 E86 L87N81-N83 PolarHBondContact OD1-N 2.94Å; N81-N83 VanDerWaalsContact OD1-N 3.1Å; N83-M85 VanDerWaalsContact C-N 3.3Å; N83-M85 PolarHBondContact O-N 2.85Å; N83-E86 PolarHBondContact O-N 3.13Å; N83-L87 WeakPolarHBondContact O-CG 3.18Å; N83-L87 PolarHBondContact O-N 2.66Å
84D79.6Confident79.4Confident28 Ų2839.2 Ų39.215%0.1520%0.204CC..Hα-helixtrans-64.8-37.4176.2-72.8-1.1000111.1Y47 P73 N81 L87 I88Y47-D84 PolarHBondContact OH-O 3.21Å; P73-D84 HydrophobicContact CB-CB 3.81Å; N81-D84 HydrophobicContact CB-CB 4.19Å; N81-D84 PolarHBondContact ND2-OD1 3.29Å; N81-D84 PolarHBondContact ND2-OD2 3.44Å; N81-D84 PolarHBondContact OD1-N 3.38Å; D84-L87 PolarHBondContact O-N 2.7Å; D84-I88 WeakPolarHBondContact O-CG1 3.19Å; D84-I88 PolarHBondContact O-N 2.61Å; D84-I88 VanDerWaalsContact O-N 3.15Å
85M79.7Confident79.1Confident0 Ų047.4 Ų47.40%024%0.239CC..Hα-helixtrans-66.7-40.1176.7-166.465-162.200112.7I18 L22 P73 M74 I79 N81 W82 N83 L87 I88 W89I18-M85 HydrophobicContact CG2-CE 4.43Å; L22-M85 HydrophobicContact CD2-CE 3.91Å; L22-M85 HydrophobicContact CG-CE 4.33Å; P73-M85 HydrophobicContact CB-CB 4.18Å; P73-M85 HydrophobicContact CB-SD 4.5Å; P73-M85 HydrophobicContact CG-SD 3.99Å; M74-M85 HydrophobicContact CE-CE 3.57Å; M74-M85 HydrophobicContact CE-SD 3.61Å; I79-M85 HydrophobicContact CD1-CG 4.07Å; I79-M85 HydrophobicContact CG1-CG 4.4Å; I79-M85 HydrophobicContact CG2-CB 4.08Å; I79-M85 HydrophobicContact CG2-CG 4.36Å; N81-M85 WeakPolarHBondContact O-CB 3.48Å; N81-M85 PolarHBondContact O-N 3.09Å; N81-M85 VanDerWaalsContact O-N 3.16Å; W82-M85 PolarHBondContact O-N 3.42Å; N83-M85 VanDerWaalsContact C-N 3.3Å; N83-M85 PolarHBondContact O-N 2.85Å; M85-L87 VanDerWaalsContact C-N 3.3Å; M85-L87 PolarHBondContact O-N 3.31Å; M85-I88 WeakPolarHBondContact O-CB 3.17Å; M85-I88 PolarHBondContact O-N 3.42Å; M85-I88 HydrophobicContact SD-CD1 4.27Å; M85-W89 HydrophobicContact CE-CD2 4.34Å; M85-W89 VanDerWaalsContact CE-CE2 3.5Å; M85-W89 HydrophobicContact CE-CZ2 3.75Å; M85-W89 VanDerWaalsContact CE-NE1 3.26Å; M85-W89 HydrophobicContact CG-CD2 4.15Å; M85-W89 HydrophobicContact CG-CE3 4.25Å; M85-W89 HydrophobicContact CG-CH2 3.83Å; M85-W89 HydrophobicContact CG-CZ2 3.69Å; M85-W89 HydrophobicContact CG-CZ3 4.11Å; M85-W89 PolarHBondContact O-N 3.24Å
86E82.6Confident78.5Confident42 Ų4247.5 Ų47.520%0.19624%0.243CC..Hα-helixtrans-58.5-45.3174.8-173.4-169.216600110.9W82 N83 I88 W89 Q90 F126 F131W82-E86 WeakPolarHBondContact O-CB 3.28Å; W82-E86 PolarHBondContact O-N 3.16Å; N83-E86 PolarHBondContact O-N 3.13Å; E86-I88 VanDerWaalsContact C-N 3.28Å; E86-I88 PolarHBondContact O-N 2.66Å; E86-W89 PolarHBondContact O-N 3.25Å; E86-W89 VanDerWaalsContact O-N 3.11Å; E86-Q90 HydrophobicContact CG-CG 4.46Å; E86-Q90 WeakPolarHBondContact O-CG 3.48Å; E86-Q90 PolarHBondContact O-N 3.43Å; E86-Q90 PolarHBondContact OE1-NE2 3.01Å; E86-F126 HydrophobicContact CB-CD1 4.36Å; E86-F126 HydrophobicContact CB-CE1 3.91Å; E86-F126 HydrophobicContact CB-CZ 4.46Å; E86-F126 HydrophobicContact CG-CD1 4.04Å; E86-F126 HydrophobicContact CG-CE1 3.83Å; E86-F126 WeakPolarHBondContact OE2-CE1 3.4Å; E86-F131 HydrophobicContact CG-CE2 4.41Å; E86-F131 HydrophobicContact CG-CZ 4.18Å
87L80.2Confident77.9Confident47 Ų4744.5 Ų44.525%0.24623%0.229CC..Hα-helixtrans-64-35.2178.6-60.2169000112.1F57 N83 D84 M85 Q90 Y91F57-L87 HydrophobicContact CE1-CB 3.89Å; F57-L87 VanDerWaalsContact CE1-O 3.3Å; F57-L87 WeakPolarHBondContact CE1-O 3.24Å; F57-L87 HydrophobicContact CE2-CB 4.11Å; F57-L87 HydrophobicContact CE2-CD1 4.46Å; F57-L87 HydrophobicContact CZ-CB 3.26Å; F57-L87 HydrophobicContact CZ-CD1 4.09Å; F57-L87 HydrophobicContact CZ-CG 4.2Å; N83-L87 WeakPolarHBondContact O-CG 3.18Å; N83-L87 PolarHBondContact O-N 2.66Å; D84-L87 PolarHBondContact O-N 2.7Å; M85-L87 VanDerWaalsContact C-N 3.3Å; M85-L87 PolarHBondContact O-N 3.31Å; L87-Q90 PolarHBondContact O-N 3.06Å; L87-Y91 WeakPolarHBondContact O-CB 3.46Å; L87-Y91 PolarHBondContact O-N 3.35Å
88I74.6Confident77.5Confident2 Ų244.8 Ų44.81%0.0123%0.229CC..Hα-helixtrans-59.8-50171.2-68.7177.6000110.1I18 L22 Y47 P73 D84 M85 E86 Q90 Y91 L92I18-I88 HydrophobicContact CD1-CD1 3.97Å; I18-I88 HydrophobicContact CG2-CD1 4.12Å; I18-I88 HydrophobicContact CG2-CG2 3.91Å; L22-I88 HydrophobicContact CD1-CG2 3.82Å; Y47-I88 HydrophobicContact CD1-CD1 4.25Å; Y47-I88 HydrophobicContact CD2-CD1 4.34Å; Y47-I88 HydrophobicContact CD2-CG1 3.99Å; Y47-I88 HydrophobicContact CE1-CD1 3.91Å; Y47-I88 HydrophobicContact CE1-CG1 3.92Å; Y47-I88 HydrophobicContact CE2-CD1 4.06Å; Y47-I88 HydrophobicContact CE2-CG1 3.35Å; Y47-I88 HydrophobicContact CG-CD1 4.44Å; Y47-I88 WeakPolarHBondContact OH-CG1 3.46Å; P73-I88 HydrophobicContact CG-CD1 3.58Å; D84-I88 WeakPolarHBondContact O-CG1 3.19Å; D84-I88 PolarHBondContact O-N 2.61Å; D84-I88 VanDerWaalsContact O-N 3.15Å; M85-I88 WeakPolarHBondContact O-CB 3.17Å; M85-I88 PolarHBondContact O-N 3.42Å; M85-I88 HydrophobicContact SD-CD1 4.27Å; E86-I88 VanDerWaalsContact C-N 3.28Å; E86-I88 PolarHBondContact O-N 2.66Å; I88-Q90 PolarHBondContact O-N 3.19Å; I88-Y91 WeakPolarHBondContact O-CB 3.47Å; I88-Y91 PolarHBondContact O-N 2.88Å; I88-L92 HydrophobicContact CG2-CD1 4.26Å; I88-L92 VanDerWaalsContact O-CG 3.31Å; I88-L92 WeakPolarHBondContact O-CG 3.11Å; I88-L92 PolarHBondContact O-N 3.31Å
89W78.3Confident77.4Confident0 Ų049.5 Ų49.50%025%0.249CC..Hα-helixtrans-60-44.6178.5-70.1-38.2000112.6L22 I79 W82 M85 E86 Y91 L92 Y93 A123 F126 F127 F131L22-W89 HydrophobicContact CD2-CG 4.5Å; I79-W89 HydrophobicContact CD1-CH2 4.28Å; I79-W89 HydrophobicContact CD1-CZ2 4.34Å; W82-W89 HydrophobicContact CE3-CH2 4.38Å; W82-W89 HydrophobicContact CE3-CZ3 4.47Å; W82-W89 AromaticContact CZ3-CH2 3.91Å; W82-W89 HydrophobicContact CZ3-CH2 3.91Å; W82-W89 HydrophobicContact CZ3-CZ3 4.36Å; M85-W89 HydrophobicContact CE-CD2 4.34Å; M85-W89 VanDerWaalsContact CE-CE2 3.5Å; M85-W89 HydrophobicContact CE-CZ2 3.75Å; M85-W89 VanDerWaalsContact CE-NE1 3.26Å; M85-W89 HydrophobicContact CG-CD2 4.15Å; M85-W89 HydrophobicContact CG-CE3 4.25Å; M85-W89 HydrophobicContact CG-CH2 3.83Å; M85-W89 HydrophobicContact CG-CZ2 3.69Å; M85-W89 HydrophobicContact CG-CZ3 4.11Å; M85-W89 PolarHBondContact O-N 3.24Å; E86-W89 PolarHBondContact O-N 3.25Å; E86-W89 VanDerWaalsContact O-N 3.11Å; W89-Y91 VanDerWaalsContact C-N 3.3Å; W89-Y91 PolarHBondContact O-N 3.44Å; W89-L92 WeakPolarHBondContact O-CB 3.45Å; W89-L92 PolarHBondContact O-N 2.87Å; W89-Y93 VanDerWaalsContact O-CD2 3.27Å; W89-Y93 WeakPolarHBondContact O-CD2 3.47Å; W89-Y93 PolarHBondContact O-N 2.95Å; W89-A123 HydrophobicContact CH2-CB 4.36Å; W89-F126 HydrophobicContact CE3-CB 4.3Å; W89-F126 HydrophobicContact CE3-CG 4.48Å; W89-F126 HydrophobicContact CZ3-CB 3.77Å; W89-F126 AromaticContact CZ3-CD2 3.98Å; W89-F126 HydrophobicContact CZ3-CD2 3.98Å; W89-F126 AromaticContact CZ3-CG 3.88Å; W89-F126 HydrophobicContact CZ3-CG 3.88Å; W89-F127 AromaticContact CD1-CZ 3.93Å; W89-F127 HydrophobicContact CD2-CE2 4.21Å; W89-F127 AromaticContact CD2-CZ 3.83Å; W89-F127 HydrophobicContact CD2-CZ 3.83Å; W89-F127 AromaticContact CE2-CE2 3.79Å; W89-F127 AromaticContact CE2-CZ 3.6Å; W89-F127 HydrophobicContact CE3-CE2 4.47Å; W89-F127 HydrophobicContact CE3-CZ 4.41Å; W89-F127 HydrophobicContact CG-CZ 4.07Å; W89-F127 AromaticContact CH2-CE2 3.99Å; W89-F127 HydrophobicContact CH2-CE2 3.99Å; W89-F127 AromaticContact CZ2-CE2 3.69Å; W89-F127 HydrophobicContact CZ2-CE2 3.69Å; W89-F127 HydrophobicContact CZ2-CZ 4.01Å; W89-F127 HydrophobicContact CZ3-CE2 4.37Å; W89-F127 AromaticContact NE1-CZ 3.66Å; W89-F131 HydrophobicContact CB-CE1 4.14Å; W89-F131 HydrophobicContact CB-CE2 3.73Å; W89-F131 HydrophobicContact CB-CZ 3.38Å; W89-F131 HydrophobicContact CD2-CE2 4.35Å; W89-F131 AromaticContact CE3-CE2 3.86Å; W89-F131 HydrophobicContact CE3-CE2 3.86Å; W89-F131 HydrophobicContact CG-CE2 4.36Å; W89-F131 HydrophobicContact CG-CZ 4.44Å
90Q79.7Confident76.9Confident88 Ų8850.3 Ų50.341%0.41125%0.254SS..Hα-helixtrans-58.9-42.6174.9-70.5177.1500111.7E86 L87 I88 L92 Y93 G94 F131E86-Q90 HydrophobicContact CG-CG 4.46Å; E86-Q90 WeakPolarHBondContact O-CG 3.48Å; E86-Q90 PolarHBondContact O-N 3.43Å; E86-Q90 PolarHBondContact OE1-NE2 3.01Å; L87-Q90 PolarHBondContact O-N 3.06Å; I88-Q90 PolarHBondContact O-N 3.19Å; Q90-L92 VanDerWaalsContact C-N 3.34Å; Q90-L92 PolarHBondContact O-N 3.01Å; Q90-Y93 PolarHBondContact O-N 2.9Å; Q90-G94 PolarHBondContact O-N 3.31Å; Q90-F131 HydrophobicContact CB-CE1 4.43Å; Q90-F131 HydrophobicContact CG-CE1 3.68Å; Q90-F131 HydrophobicContact CG-CZ 3.8Å
91Y71.9Confident76.8Confident35 Ų3553 Ų5314%0.13726%0.26CS..Hα-helixtrans-63.6-37.7178176.4-101000112.6F43 F57 L87 I88 W89 Y93 G94 M97F43-Y91 HydrophobicContact CD1-CE1 4.27Å; F43-Y91 AromaticContact CD2-CE1 3.6Å; F43-Y91 HydrophobicContact CD2-CE1 3.6Å; F43-Y91 HydrophobicContact CE1-CD1 4.2Å; F43-Y91 AromaticContact CE1-CE1 3.97Å; F43-Y91 HydrophobicContact CE1-CE1 3.97Å; F43-Y91 HydrophobicContact CE2-CD1 4.16Å; F43-Y91 AromaticContact CE2-CE1 3.24Å; F43-Y91 HydrophobicContact CE2-CE1 3.24Å; F43-Y91 AromaticContact CE2-CZ 3.64Å; F43-Y91 HydrophobicContact CG-CE1 4.1Å; F43-Y91 AromaticContact CZ-CD1 3.89Å; F43-Y91 HydrophobicContact CZ-CD1 3.89Å; F43-Y91 AromaticContact CZ-CE1 3.44Å; F43-Y91 HydrophobicContact CZ-CE1 3.44Å; F43-Y91 VanDerWaalsContact CZ-CE1 3.44Å; F57-Y91 HydrophobicContact CB-CD2 3.39Å; F57-Y91 HydrophobicContact CB-CE2 3.59Å; F57-Y91 HydrophobicContact CB-CG 4.01Å; F57-Y91 VanDerWaalsContact CD1-CB 3.41Å; F57-Y91 HydrophobicContact CD1-CD1 4.17Å; F57-Y91 AromaticContact CD1-CD2 3.76Å; F57-Y91 HydrophobicContact CD1-CD2 3.76Å; F57-Y91 AromaticContact CD1-CG 3.49Å; F57-Y91 HydrophobicContact CD1-CG 3.49Å; F57-Y91 VanDerWaalsContact CD1-CG 3.49Å; F57-Y91 HydrophobicContact CE1-CG 4.39Å; F57-Y91 AromaticContact CG-CD2 3.79Å; F57-Y91 HydrophobicContact CG-CD2 3.79Å; F57-Y91 HydrophobicContact CG-CE2 4.45Å; F57-Y91 HydrophobicContact CG-CG 4.03Å; L87-Y91 WeakPolarHBondContact O-CB 3.46Å; L87-Y91 PolarHBondContact O-N 3.35Å; I88-Y91 WeakPolarHBondContact O-CB 3.47Å; I88-Y91 PolarHBondContact O-N 2.88Å; W89-Y91 VanDerWaalsContact C-N 3.3Å; W89-Y91 PolarHBondContact O-N 3.44Å; Y91-Y93 VanDerWaalsContact C-N 3.33Å; Y91-Y93 PolarHBondContact O-N 3.13Å; Y91-G94 WeakPolarHBondContact O-CA 3.29Å; Y91-G94 PolarHBondContact O-N 3.3Å; Y91-M97 HydrophobicContact CD1-CG 3.87Å; Y91-M97 HydrophobicContact CE1-CE 4.23Å; Y91-M97 HydrophobicContact CE1-CG 3.38Å; Y91-M97 HydrophobicContact CE1-SD 3.64Å; Y91-M97 HydrophobicContact CE2-CG 4.45Å; Y91-M97 WeakPolarHBondContact O-CG 3.27Å
92L73Confident76.8Confident10 Ų1051 Ų515%0.05225%0.25CC..Hα-helixtrans-62.8-37.8178.1-66.5165.3000113.1L22 L25 I88 W89 Q90 G94 M97 L98L22-L92 HydrophobicContact CB-CD1 4.29Å; L22-L92 HydrophobicContact CD1-CD1 3.38Å; L22-L92 HydrophobicContact CD1-CD2 4.11Å; L22-L92 HydrophobicContact CD1-CG 4.25Å; L22-L92 HydrophobicContact CD2-CD1 3.2Å; L22-L92 HydrophobicContact CG-CD1 3.76Å; L25-L92 HydrophobicContact CD2-CB 4.34Å; L25-L92 HydrophobicContact CD2-CD1 3.86Å; I88-L92 HydrophobicContact CG2-CD1 4.26Å; I88-L92 VanDerWaalsContact O-CG 3.31Å; I88-L92 WeakPolarHBondContact O-CG 3.11Å; I88-L92 PolarHBondContact O-N 3.31Å; W89-L92 WeakPolarHBondContact O-CB 3.45Å; W89-L92 PolarHBondContact O-N 2.87Å; Q90-L92 VanDerWaalsContact C-N 3.34Å; Q90-L92 PolarHBondContact O-N 3.01Å; L92-G94 PolarHBondContact O-N 2.74Å; L92-M97 HydrophobicContact CD2-CE 3.85Å; L92-M97 WeakPolarHBondContact O-CB 3.33Å; L92-L98 HydrophobicContact CB-CD1 4.14Å; L92-L98 VanDerWaalsContact O-CB 3.22Å; L92-L98 WeakPolarHBondContact O-CB 3.1Å; L92-L98 WeakPolarHBondContact O-CD1 3.45Å; L92-L98 VanDerWaalsContact O-CG 3.28Å; L92-L98 WeakPolarHBondContact O-CG 3.28Å; L92-L98 PolarHBondContact O-N 3.39Å
93Y72.6Confident76.7Confident20 Ų2053.5 Ų53.58%0.07826%0.263CS..Hα-helixtrans-75.6-11.8172.8-70.3-69.4000112.9L25 I26 W89 Q90 Y91 T100 P102 V107 F131L25-Y93 HydrophobicContact CD2-CE2 3.74Å; I26-Y93 HydrophobicContact CD1-CD1 4.07Å; I26-Y93 HydrophobicContact CD1-CE1 3.6Å; I26-Y93 HydrophobicContact CG1-CE1 4.14Å; W89-Y93 VanDerWaalsContact O-CD2 3.27Å; W89-Y93 WeakPolarHBondContact O-CD2 3.47Å; W89-Y93 PolarHBondContact O-N 2.95Å; Q90-Y93 PolarHBondContact O-N 2.9Å; Y91-Y93 VanDerWaalsContact C-N 3.33Å; Y91-Y93 PolarHBondContact O-N 3.13Å; Y93-T100 WeakPolarHBondContact CD1-O 3.34Å; Y93-P102 HydrophobicContact CD1-CB 4.03Å; Y93-P102 HydrophobicContact CD1-CG 4.47Å; Y93-P102 HydrophobicContact CD2-CB 4.06Å; Y93-P102 HydrophobicContact CD2-CG 4.36Å; Y93-P102 VanDerWaalsContact CE1-CA 3.49Å; Y93-P102 HydrophobicContact CE1-CB 3.69Å; Y93-P102 HydrophobicContact CE2-CB 3.73Å; Y93-P102 HydrophobicContact CE2-CG 4.49Å; Y93-P102 HydrophobicContact CG-CB 4.21Å; Y93-P102 HydrophobicContact CG-CG 4.36Å; Y93-V107 WeakPolarHBondContact OH-CG2 3.4Å; Y93-F131 HydrophobicContact CD2-CD1 4.14Å; Y93-F131 HydrophobicContact CD2-CE1 4.26Å; Y93-F131 HydrophobicContact CE2-CD1 4.18Å
94G73Confident76.4Confident25 Ų2553.9 Ų53.926%0.25826%0.261SS..SBendtrans-64.7172.6-177.400000115.2Q90 Y91 L92 D96 M97 Q99Q90-G94 PolarHBondContact O-N 3.31Å; Y91-G94 WeakPolarHBondContact O-CA 3.29Å; Y91-G94 PolarHBondContact O-N 3.3Å; L92-G94 PolarHBondContact O-N 2.74Å; G94-D96 VanDerWaalsContact C-N 3.32Å; G94-D96 PolarHBondContact O-N 2.81Å; G94-M97 PolarHBondContact O-N 2.99Å; G94-Q99 PolarHBondContact O-N 3.09Å
95K70.6Confident76.4Confident183 Ų18353.3 Ų53.380%0.79626%0.258SS*.THydrogen-bonded Turntrans-64.8-30.8-174.5-68.3-175.9179.9-179.60114.3M97 Q99K95-M97 PolarHBondContact O-N 3.33Å; K95-Q99 VanDerWaalsContact O-CD 3.27Å; K95-Q99 WeakPolarHBondContact O-CG 3.48Å; K95-Q99 PolarHBondContact O-NE2 2.98Å
96D67.7Low76.6Confident120 Ų12053.9 Ų53.964%0.64226%0.262SS*.THydrogen-bonded Turntrans-83.3-7.8-178.7-59.2-36.7000112G94G94-D96 VanDerWaalsContact C-N 3.32Å; G94-D96 PolarHBondContact O-N 2.81Å
97M69.6Low76.6Confident9 Ų952.1 Ų52.14%0.04425%0.254CS..THydrogen-bonded Turntrans-119.7-119.6-174.8-62-61.5-76.200110.5I39 F43 Y91 L92 G94 K95 Q99I39-M97 WeakPolarHBondContact CD1-O 3.49Å; I39-M97 HydrophobicContact CG2-CB 3.8Å; I39-M97 HydrophobicContact CG2-CE 3.44Å; I39-M97 VanDerWaalsContact CG2-CE 3.44Å; I39-M97 HydrophobicContact CG2-CG 4.36Å; I39-M97 HydrophobicContact CG2-SD 3.72Å; F43-M97 HydrophobicContact CB-CE 3.51Å; F43-M97 HydrophobicContact CB-SD 4.17Å; F43-M97 HydrophobicContact CD1-CE 4.4Å; F43-M97 HydrophobicContact CD2-CE 4.45Å; F43-M97 HydrophobicContact CD2-SD 4.3Å; F43-M97 HydrophobicContact CG-CE 3.89Å; F43-M97 HydrophobicContact CG-SD 4.32Å; Y91-M97 HydrophobicContact CD1-CG 3.87Å; Y91-M97 HydrophobicContact CE1-CE 4.23Å; Y91-M97 HydrophobicContact CE1-CG 3.38Å; Y91-M97 HydrophobicContact CE1-SD 3.64Å; Y91-M97 HydrophobicContact CE2-CG 4.45Å; Y91-M97 WeakPolarHBondContact O-CG 3.27Å; L92-M97 HydrophobicContact CD2-CE 3.85Å; L92-M97 WeakPolarHBondContact O-CB 3.33Å; G94-M97 PolarHBondContact O-N 2.99Å; K95-M97 PolarHBondContact O-N 3.33Å; M97-Q99 VanDerWaalsContact C-N 3.25Å; M97-Q99 PolarHBondContact O-N 3.07Å
98L69.6Low76.7Confident15 Ų1549.9 Ų49.98%0.07924%0.242CC..THydrogen-bonded Turntrans-68.3-25.2-169.2-63.4160.5000112.6I26 A36 I39 L92 T100I26-L98 HydrophobicContact CD1-CB 3.85Å; I26-L98 HydrophobicContact CD1-CD1 3.23Å; I26-L98 HydrophobicContact CD1-CD2 4.19Å; I26-L98 HydrophobicContact CD1-CG 3.9Å; I26-L98 HydrophobicContact CG1-CD1 3.84Å; A36-L98 HydrophobicContact CB-CD2 3.91Å; I39-L98 HydrophobicContact CD1-CD2 4.19Å; I39-L98 HydrophobicContact CG2-CD2 4.47Å; L92-L98 HydrophobicContact CB-CD1 4.14Å; L92-L98 VanDerWaalsContact O-CB 3.22Å; L92-L98 WeakPolarHBondContact O-CB 3.1Å; L92-L98 WeakPolarHBondContact O-CD1 3.45Å; L92-L98 VanDerWaalsContact O-CG 3.28Å; L92-L98 WeakPolarHBondContact O-CG 3.28Å; L92-L98 PolarHBondContact O-N 3.39Å; L98-T100 PolarHBondContact O-N 3.12Å
99Q76.9Confident77.2Confident128 Ų12849.9 Ų49.960%0.59824%0.242SC*.  trans55.139.3-178.6-62.3173.819.200112.3G94 K95 M97G94-Q99 PolarHBondContact O-N 3.09Å; K95-Q99 VanDerWaalsContact O-CD 3.27Å; K95-Q99 WeakPolarHBondContact O-CG 3.48Å; K95-Q99 PolarHBondContact O-NE2 2.98Å; M97-Q99 VanDerWaalsContact C-N 3.25Å; M97-Q99 PolarHBondContact O-N 3.07Å
100T73.6Confident77.4Confident23 Ų2349.9 Ų49.914%0.14124%0.242CC..  trans-134152.8-17853.70000110.2I26 I32 Y93 L98I26-T100 VanDerWaalsContact CD1-OG1 3.31Å; I26-T100 WeakPolarHBondContact CD1-OG1 3.42Å; I32-T100 HydrophobicContact CD1-CG2 4.48Å; Y93-T100 WeakPolarHBondContact CD1-O 3.34Å; L98-T100 PolarHBondContact O-N 3.12Å
101F82.1Confident77.7Confident133 Ų13346.1 Ų46.158%0.58323%0.225SC*.  trans-84.1134.4173.5-63.5-72.2000110.5E103 E104F101-E103 WeakPolarHBondContact CB-OE2 3.28Å; F101-E103 PolarHBondContact O-N 3.37Å; F101-E104 HydrophobicContact CB-CG 4.03Å; F101-E104 PolarHBondContact O-N 3.31Å
102P82.7Confident78.2Confident13 Ų1344.6 Ų44.68%0.08422%0.219CC..G310 helixtrans-59.8-30178.122.8-32.1000113Y93 E104 H105 F131 V133Y93-P102 HydrophobicContact CD1-CB 4.03Å; Y93-P102 HydrophobicContact CD1-CG 4.47Å; Y93-P102 HydrophobicContact CD2-CB 4.06Å; Y93-P102 HydrophobicContact CD2-CG 4.36Å; Y93-P102 VanDerWaalsContact CE1-CA 3.49Å; Y93-P102 HydrophobicContact CE1-CB 3.69Å; Y93-P102 HydrophobicContact CE2-CB 3.73Å; Y93-P102 HydrophobicContact CE2-CG 4.49Å; Y93-P102 HydrophobicContact CG-CB 4.21Å; Y93-P102 HydrophobicContact CG-CG 4.36Å; P102-E104 PolarHBondContact O-N 2.7Å; P102-H105 PolarHBondContact O-N 3.27Å; P102-F131 HydrophobicContact CB-CB 3.9Å; P102-F131 HydrophobicContact CB-CD1 4.36Å; P102-F131 VanDerWaalsContact CB-O 3.31Å; P102-F131 WeakPolarHBondContact CB-O 3.47Å; P102-F131 HydrophobicContact CG-CB 4.2Å; P102-F131 HydrophobicContact CG-CD1 4.17Å; P102-F131 WeakPolarHBondContact CG-O 3.1Å; P102-V133 HydrophobicContact CB-CG1 4.17Å
103E86.5Confident78.8Confident93 Ų9344.3 Ų44.344%0.43522%0.218SC..G310 helixtrans-68.1-19.4-179.1-58.785.1175.100113.2F101 N132 P134F101-E103 WeakPolarHBondContact CB-OE2 3.28Å; F101-E103 PolarHBondContact O-N 3.37Å; E103-N132 HydrophobicContact CG-CB 3.65Å; E103-P134 WeakPolarHBondContact O-CD 3.26Å
104E80.4Confident79.4Confident117 Ų11748.1 Ų48.155%0.54724%0.239SC..G310 helixtrans-87.6-13.7-176-66.2-179.216200113F101 P102F101-E104 HydrophobicContact CB-CG 4.03Å; F101-E104 PolarHBondContact O-N 3.31Å; P102-E104 PolarHBondContact O-N 2.7Å
105H79.6Confident80Confident16 Ų1647.7 Ų47.77%0.07423%0.231CC..SBendtrans-138.6128.7-167.6-60.7-49.5000113I26 C29 I32 P102 P134I26-H105 HydrophobicContact CG2-CB 4.06Å; C29-H105 PolarHBondContact SG-ND1 2.93Å; C29-H105 VanDerWaalsContact SG-ND1 3.41Å; I32-H105 VanDerWaalsContact CD1-CE1 3.43Å; I32-H105 WeakPolarHBondContact CD1-CE1 3.5Å; I32-H105 WeakPolarHBondContact CD1-NE2 3.34Å; P102-H105 PolarHBondContact O-N 3.27Å; H105-P134 WeakPolarHBondContact O-CD 3.39Å
106P84.1Confident80.8Confident13 Ų1341.7 Ų41.78%0.08421%0.211CC..  trans-70.2153.5171.135-38.3000110.3A28 P134 A135 W351A28-P106 HydrophobicContact CB-CG 3.22Å; P106-P134 HydrophobicContact CB-CG 4.33Å; P106-A135 CarbonylContact C-O 3.47Å; P106-A135 WeakPolarHBondContact CA-O 3.28Å; P106-A135 HydrophobicContact CB-CB 3.76Å; P106-A135 WeakPolarHBondContact CB-O 3.35Å; P106-W351 HydrophobicContact CB-CE3 4Å; P106-W351 HydrophobicContact CB-CZ3 3.96Å; P106-W351 HydrophobicContact CG-CE3 4.11Å; P106-W351 HydrophobicContact CG-CH2 4.09Å; P106-W351 HydrophobicContact CG-CZ3 3.56Å
107V81.7Confident81.8Confident5 Ų540 Ų403%0.0320%0.201CC..EExtended strand (participates in β ladder)trans-115.5135.1-169.3175.40000110L25 Y93 F127 V133 A135 L136 F137L25-V107 HydrophobicContact CD1-CG1 3.84Å; L25-V107 HydrophobicContact CG-CG1 4.13Å; L25-V107 WeakPolarHBondContact O-CG2 3.28Å; Y93-V107 WeakPolarHBondContact OH-CG2 3.4Å; V107-F127 HydrophobicContact CG1-CD1 4.26Å; V107-F127 HydrophobicContact CG1-CE1 4.12Å; V107-F127 HydrophobicContact CG2-CD1 4.31Å; V107-V133 HydrophobicContact CG2-CB 4.1Å; V107-V133 HydrophobicContact CG2-CG1 3.67Å; V107-V133 HydrophobicContact CG2-CG2 4.48Å; V107-A135 PolarHBondContact N-O 3.06Å; V107-L136 HydrophobicContact CB-CD1 3.93Å; V107-L136 HydrophobicContact CG1-CD1 3.85Å; V107-L136 CarbonylContact O-C 3.58Å; V107-L136 WeakPolarHBondContact O-CA 3.49Å; V107-F137 PolarHBondContact O-N 2.84Å
108L82.3Confident82.8Confident0 Ų048.4 Ų48.40%023%0.232CC..EExtended strand (participates in β ladder)trans-103.4117.9162-170.1162.2000107.3V24 L25 T110 F137 L144 L341 F347V24-L108 CarbonylContact C-O 3.59Å; V24-L108 WeakPolarHBondContact CA-O 3.21Å; V24-L108 HydrophobicContact CB-CB 3.8Å; V24-L108 HydrophobicContact CB-CD2 3.42Å; V24-L108 VanDerWaalsContact CB-CD2 3.42Å; V24-L108 HydrophobicContact CB-CG 4.01Å; V24-L108 VanDerWaalsContact CB-O 3.27Å; V24-L108 WeakPolarHBondContact CB-O 3.49Å; V24-L108 HydrophobicContact CG1-CB 3.5Å; V24-L108 HydrophobicContact CG1-CD1 3.76Å; V24-L108 HydrophobicContact CG1-CD2 3.58Å; V24-L108 HydrophobicContact CG1-CG 3.73Å; V24-L108 HydrophobicContact CG2-CD2 3.78Å; V24-L108 CarbonylContact O-C 3.41Å; V24-L108 PolarHBondContact O-N 2.91Å; L25-L108 PolarHBondContact N-O 2.86Å; L108-T110 HydrophobicContact CD2-CG2 4.2Å; L108-F137 CarbonylContact C-O 3.55Å; L108-F137 VanDerWaalsContact CA-O 3.29Å; L108-F137 WeakPolarHBondContact CA-O 3.45Å; L108-F137 HydrophobicContact CD1-CD1 4.11Å; L108-F137 HydrophobicContact CG-CD1 4.03Å; L108-L144 HydrophobicContact CD2-CD1 3.99Å; L108-L341 HydrophobicContact CD1-CD2 4.18Å; L108-F347 HydrophobicContact CD1-CE1 4.37Å; L108-F347 HydrophobicContact CD1-CE2 3.96Å; L108-F347 HydrophobicContact CD1-CZ 3.58Å; L108-F347 HydrophobicContact CG-CZ 4.24Å
109L85.4Confident83.7Confident2 Ų248.1 Ų48.11%0.0123%0.231CC..EExtended strand (participates in β ladder)trans-99.7146.3173.2-163.869.7000109.2F21 L25 A123 F127 L136 F137 I138 S139F21-L109 HydrophobicContact CD1-CD1 4.18Å; F21-L109 HydrophobicContact CD1-CG 4.3Å; F21-L109 HydrophobicContact CE1-CD2 4.13Å; F21-L109 HydrophobicContact CE1-CG 4.28Å; F21-L109 VanDerWaalsContact O-CD1 3.26Å; F21-L109 WeakPolarHBondContact O-CD1 3.39Å; L25-L109 HydrophobicContact CD1-CD1 4.07Å; L109-A123 HydrophobicContact CD2-CB 3.9Å; L109-F127 HydrophobicContact CD1-CE2 3.83Å; L109-F127 HydrophobicContact CD1-CZ 4.1Å; L109-F127 HydrophobicContact CD2-CD2 4.37Å; L109-F127 HydrophobicContact CD2-CE2 3.95Å; L109-F127 HydrophobicContact CG-CE2 4.47Å; L109-L136 HydrophobicContact CB-CD1 4.23Å; L109-F137 PolarHBondContact N-O 3.29Å; L109-I138 HydrophobicContact CB-CG1 4.19Å; L109-I138 CarbonylContact O-C 3.59Å; L109-I138 VanDerWaalsContact O-CA 3.3Å; L109-I138 WeakPolarHBondContact O-CA 3.49Å; L109-S139 PolarHBondContact O-N 3.07Å
110T83.1Confident84.2Confident0 Ų043.5 Ų43.50%021%0.208CC..EExtended strand (participates in β ladder)trans-105.3153.9168.7880000110.8N20 F21 V24 L108 S139 Q141 L144 T334N20-T110 WeakPolarHBondContact O-CB 3.41Å; N20-T110 VanDerWaalsContact O-CG2 3.31Å; N20-T110 WeakPolarHBondContact O-CG2 3.09Å; N20-T110 PolarHBondContact O-OG1 2.7Å; F21-T110 WeakPolarHBondContact CA-OG1 3.28Å; F21-T110 VanDerWaalsContact CD1-O 3.28Å; F21-T110 WeakPolarHBondContact CD1-O 3.45Å; F21-T110 VanDerWaalsContact CE1-O 3.29Å; F21-T110 WeakPolarHBondContact CE1-O 3.4Å; V24-T110 HydrophobicContact CB-CG2 4.36Å; V24-T110 HydrophobicContact CG2-CG2 3.48Å; V24-T110 VanDerWaalsContact CG2-CG2 3.48Å; L108-T110 HydrophobicContact CD2-CG2 4.2Å; T110-S139 CarbonylContact C-O 3.47Å; T110-S139 WeakPolarHBondContact CA-O 3.35Å; T110-Q141 WeakPolarHBondContact OG1-CG 3.47Å; T110-Q141 PolarHBondContact OG1-NE2 3.19Å; T110-Q141 VanDerWaalsContact OG1-NE2 3.14Å; T110-L144 HydrophobicContact CG2-CD1 3.59Å; T110-T334 HydrophobicContact CG2-CG2 3.94Å
111E84.8Confident85.1Confident9 Ų944.5 Ų44.54%0.04221%0.211CC..EExtended strand (participates in β ladder)trans-137.6150.8171.358.2171.6-14600110.4F21 N115 R120 I138 S139 M140 Q141F21-E111 HydrophobicContact CE2-CB 4.44Å; F21-E111 HydrophobicContact CZ-CB 4.15Å; E111-N115 HydrophobicContact CB-CB 4.07Å; E111-N115 HydrophobicContact CG-CB 4.42Å; E111-N115 PolarHBondContact OE2-ND2 3.32Å; E111-R120 IonicContact OE1-CZ 3.95Å; E111-R120 IonicContact OE1-NE 3.9Å; E111-R120 PolarHBondContact OE1-NE 3.07Å; E111-R120 IonicContact OE1-NH2 3.45Å; E111-R120 PolarHBondContact OE1-NH2 2.88Å; E111-R120 IonicContact OE2-CZ 2.78Å; E111-R120 IonicContact OE2-NE 3.7Å; E111-R120 PolarHBondContact OE2-NE 3.35Å; E111-R120 IonicContact OE2-NH2 3.38Å; E111-I138 HydrophobicContact CB-CG2 4.28Å; E111-I138 HydrophobicContact CG-CG2 3.72Å; E111-S139 PolarHBondContact N-O 3.2Å; E111-M140 WeakPolarHBondContact O-CA 3.31Å; E111-Q141 WeakPolarHBondContact O-CG 3.45Å; E111-Q141 PolarHBondContact O-N 3.28Å
112P83.4Confident85.6Confident2 Ų243.3 Ų43.31%0.01320%0.203CC..  trans-68.2162.6172.632.2-38.8000110.5F21 G77 N115F21-P112 HydrophobicContact CE2-CG 4.4Å; G77-P112 WeakPolarHBondContact O-CG 3.18Å; P112-N115 HydrophobicContact CG-CB 4.35Å; P112-N115 PolarHBondContact O-N 2.98Å
113A85.5Confident85.8Confident4 Ų442.8 Ų42.83%0.03320%0.2CC..THydrogen-bonded Turntrans-62.9142.4171.400000110.9N115 M140 H165 V167 I179A113-N115 VanDerWaalsContact C-N 3.32Å; A113-N115 PolarHBondContact O-N 3.44Å; A113-M140 HydrophobicContact CB-CE 4.3Å; A113-M140 HydrophobicContact CB-CG 4.29Å; A113-M140 HydrophobicContact CB-SD 3.75Å; A113-H165 PolarHBondContact O-NE2 2.96Å; A113-V167 HydrophobicContact CB-CG2 3.87Å; A113-I179 HydrophobicContact CB-CD1 4.29Å; A113-I179 HydrophobicContact CB-CG2 3.82Å
114L85.5Confident86Confident100 Ų10038.4 Ų38.452%0.52418%0.179SC..THydrogen-bonded Turntrans62.930.8-176.9-49.4174.6000114.1I179 R181L114-I179 HydrophobicContact CD1-CG2 4.13Å; L114-I179 HydrophobicContact CD2-CG2 4.46Å; L114-I179 HydrophobicContact CG-CG2 4.04Å; L114-R181 HydrophobicContact CD1-CB 4.22Å
115N85.6Confident86.6Confident16 Ų1635 Ų359%0.08616%0.163CC..  trans-61.5131.1170.1-175.640.5000110.9E111 P112 A113 L117E111-N115 HydrophobicContact CB-CB 4.07Å; E111-N115 HydrophobicContact CG-CB 4.42Å; E111-N115 PolarHBondContact OE2-ND2 3.32Å; P112-N115 HydrophobicContact CG-CB 4.35Å; P112-N115 PolarHBondContact O-N 2.98Å; A113-N115 VanDerWaalsContact C-N 3.32Å; A113-N115 PolarHBondContact O-N 3.44Å; N115-L117 PolarHBondContact O-N 3.5Å
116P87.3Confident87Confident58 Ų5834.8 Ų34.838%0.37716%0.162SC..  trans-58.1138.6177.6-26.235.1000112.7R118 N119 R120P116-R118 VanDerWaalsContact C-N 3.28Å; P116-R118 PolarHBondContact O-N 3Å; P116-N119 HydrophobicContact CB-CB 4.46Å; P116-N119 WeakPolarHBondContact O-CB 3.2Å; P116-N119 PolarHBondContact O-N 3.08Å; P116-R120 PolarHBondContact O-N 3.19Å
117L88.8Confident87.2Confident83 Ų8334.1 Ų34.144%0.43516%0.158SC..Hα-helixtrans-54.6-44.5179.3-80.975.4000112N115 N119 R120 E121 F370N115-L117 PolarHBondContact O-N 3.5Å; L117-N119 PolarHBondContact O-N 3.17Å; L117-R120 WeakPolarHBondContact O-CA 3.05Å; L117-R120 WeakPolarHBondContact O-CB 3.39Å; L117-R120 PolarHBondContact O-N 2.97Å; L117-E121 WeakPolarHBondContact O-CG 3.45Å; L117-E121 PolarHBondContact O-N 3.12Å; L117-F370 HydrophobicContact CD1-CZ 4.04Å; L117-F370 HydrophobicContact CD2-CE2 3.84Å; L117-F370 HydrophobicContact CD2-CZ 3.61Å; L117-F370 HydrophobicContact CG-CE2 4.29Å; L117-F370 HydrophobicContact CG-CZ 3.84Å
118R90Very high87.8Confident186 Ų18634 Ų3470%0.70216%0.157SC*.Hα-helixtrans-55.6-35.1177.6-170.1-176.470.3174.81.6112.6P116 R122P116-R118 VanDerWaalsContact C-N 3.28Å; P116-R118 PolarHBondContact O-N 3Å; R118-R122 VanDerWaalsContact O-CB 3.27Å; R118-R122 WeakPolarHBondContact O-CB 3.26Å; R118-R122 PolarHBondContact O-N 3.2Å
119N88.6Confident88.3Confident9 Ų939.6 Ų39.65%0.04818%0.183CC..Hα-helixtrans-72.7-38.3177.8-79.332.8000111.1V78 I79 W82 P116 L117 R122 A123V78-N119 WeakPolarHBondContact CG1-ND2 3.5Å; I79-N119 PolarHBondContact O-ND2 3.19Å; W82-N119 HydrophobicContact CH2-CB 4.39Å; W82-N119 WeakPolarHBondContact CH2-O 3.18Å; W82-N119 HydrophobicContact CZ2-CB 3.97Å; P116-N119 HydrophobicContact CB-CB 4.46Å; P116-N119 WeakPolarHBondContact O-CB 3.2Å; P116-N119 PolarHBondContact O-N 3.08Å; L117-N119 PolarHBondContact O-N 3.17Å; N119-R122 PolarHBondContact O-N 3.23Å; N119-A123 WeakPolarHBondContact O-CB 3.38Å; N119-A123 PolarHBondContact O-N 2.94Å
120R88.1Confident88.6Confident32 Ų3242.6 Ų42.612%0.12120%0.201CC..Hα-helixtrans-63.5-44.5173.5-168.6-171.2-70.1166.8-8.4111.8E111 P116 L117 A123 S124 I138 I365E111-R120 IonicContact OE1-CZ 3.95Å; E111-R120 IonicContact OE1-NE 3.9Å; E111-R120 PolarHBondContact OE1-NE 3.07Å; E111-R120 IonicContact OE1-NH2 3.45Å; E111-R120 PolarHBondContact OE1-NH2 2.88Å; E111-R120 IonicContact OE2-CZ 2.78Å; E111-R120 IonicContact OE2-NE 3.7Å; E111-R120 PolarHBondContact OE2-NE 3.35Å; E111-R120 IonicContact OE2-NH2 3.38Å; P116-R120 PolarHBondContact O-N 3.19Å; L117-R120 WeakPolarHBondContact O-CA 3.05Å; L117-R120 WeakPolarHBondContact O-CB 3.39Å; L117-R120 PolarHBondContact O-N 2.97Å; R120-A123 PolarHBondContact O-N 3.35Å; R120-S124 WeakPolarHBondContact O-CB 3.44Å; R120-S124 PolarHBondContact O-N 3.18Å; R120-S124 PolarHBondContact O-OG 3.35Å; R120-I138 HydrophobicContact CG-CD1 3.46Å; R120-I138 VanDerWaalsContact CG-CD1 3.46Å; R120-I138 HydrophobicContact CG-CG2 4.44Å; R120-I365 HydrophobicContact CG-CG2 4.13Å
121E91.9Very high88.9Confident44 Ų4443.1 Ų43.121%0.20620%0.204CC..Hα-helixtrans-56.6-53.9174.1-69.8163.6-165.100110.1L117 A123 S124 E125 L362 H366L117-E121 WeakPolarHBondContact O-CG 3.45Å; L117-E121 PolarHBondContact O-N 3.12Å; E121-A123 PolarHBondContact O-N 2.78Å; E121-S124 WeakPolarHBondContact O-CA 3.49Å; E121-S124 VanDerWaalsContact O-CB 3.31Å; E121-S124 WeakPolarHBondContact O-CB 3.36Å; E121-S124 PolarHBondContact O-N 3.13Å; E121-E125 PolarHBondContact O-N 2.76Å; E121-L362 HydrophobicContact CB-CD1 4.14Å; E121-L362 HydrophobicContact CB-CD2 3.85Å; E121-L362 HydrophobicContact CG-CD1 4.08Å; E121-L362 HydrophobicContact CG-CD2 4.07Å; E121-L362 HydrophobicContact CG-CG 4.49Å; E121-H366 IonicContact OE1-CE1 3.8Å; E121-H366 PolarHBondContact OE1-CE1 2.9Å; E121-H366 IonicContact OE1-NE2 2.89Å; E121-H366 PolarHBondContact OE1-NE2 3.03Å
122R91.4Very high89.2Confident107 Ų10745.5 Ų45.540%0.40422%0.217SC..Hα-helixtrans-61.5-40.8-177.9-172.457.2173.2178.36.1113.1W82 R118 N119 S124 E125 F126W82-R122 HydrophobicContact CD2-CB 4.44Å; W82-R122 HydrophobicContact CD2-CG 3.58Å; W82-R122 HydrophobicContact CE3-CB 4.44Å; W82-R122 HydrophobicContact CE3-CG 3.68Å; W82-R122 HydrophobicContact CG-CG 4.24Å; W82-R122 HydrophobicContact CH2-CB 3.73Å; W82-R122 HydrophobicContact CH2-CG 3.87Å; W82-R122 HydrophobicContact CZ2-CB 3.73Å; W82-R122 HydrophobicContact CZ2-CG 3.79Å; W82-R122 HydrophobicContact CZ3-CB 4.08Å; W82-R122 HydrophobicContact CZ3-CG 3.79Å; R118-R122 VanDerWaalsContact O-CB 3.27Å; R118-R122 WeakPolarHBondContact O-CB 3.26Å; R118-R122 PolarHBondContact O-N 3.2Å; N119-R122 PolarHBondContact O-N 3.23Å; R122-S124 VanDerWaalsContact C-N 3.3Å; R122-S124 PolarHBondContact O-N 2.83Å; R122-E125 WeakPolarHBondContact CD-OE2 3.21Å; R122-E125 IonicContact CZ-OE2 3.87Å; R122-E125 IonicContact NE-OE2 2.72Å; R122-E125 IonicContact NH1-OE2 3.44Å; R122-E125 PolarHBondContact NH1-OE2 2.88Å; R122-E125 PolarHBondContact O-N 3.13Å; R122-F126 HydrophobicContact CG-CD2 4.19Å; R122-F126 HydrophobicContact CG-CE2 3.97Å; R122-F126 VanDerWaalsContact O-CD2 3.24Å; R122-F126 WeakPolarHBondContact O-CD2 3.47Å; R122-F126 PolarHBondContact O-N 3.19Å; R122-F126 VanDerWaalsContact O-N 3.14Å
123A88Confident89.4Confident3 Ų345.4 Ų45.43%0.02522%0.216CC..Hα-helixtrans-61.8-41.5173.500000111.3W82 W89 L109 N119 R120 E121 F126 F127W82-A123 HydrophobicContact CH2-CB 4.02Å; W82-A123 HydrophobicContact CZ3-CB 4.02Å; W89-A123 HydrophobicContact CH2-CB 4.36Å; L109-A123 HydrophobicContact CD2-CB 3.9Å; N119-A123 WeakPolarHBondContact O-CB 3.38Å; N119-A123 PolarHBondContact O-N 2.94Å; R120-A123 PolarHBondContact O-N 3.35Å; E121-A123 PolarHBondContact O-N 2.78Å; A123-F126 PolarHBondContact O-N 3.31Å; A123-F127 WeakPolarHBondContact O-CD2 3.33Å; A123-F127 PolarHBondContact O-N 3.2Å
124S90.5Very high89.5Confident0 Ų047.5 Ų47.50%023%0.23CC..Hα-helixtrans-63.2-42.2178-53.80000112R120 E121 R122 F127 F128R120-S124 WeakPolarHBondContact O-CB 3.44Å; R120-S124 PolarHBondContact O-N 3.18Å; R120-S124 PolarHBondContact O-OG 3.35Å; E121-S124 WeakPolarHBondContact O-CA 3.49Å; E121-S124 VanDerWaalsContact O-CB 3.31Å; E121-S124 WeakPolarHBondContact O-CB 3.36Å; E121-S124 PolarHBondContact O-N 3.13Å; R122-S124 VanDerWaalsContact C-N 3.3Å; R122-S124 PolarHBondContact O-N 2.83Å; S124-F127 PolarHBondContact O-N 3.43Å; S124-F128 WeakPolarHBondContact O-CD2 3.36Å; S124-F128 PolarHBondContact O-N 3.41Å
125E92.2Very high89.6Confident47 Ų4743 Ų4322%0.2221%0.207CC..Hα-helixtrans-56.6-49.5173.6-68.8173.3172.900111.2E121 R122 F127 F128 E129 L362E121-E125 PolarHBondContact O-N 2.76Å; R122-E125 WeakPolarHBondContact CD-OE2 3.21Å; R122-E125 IonicContact CZ-OE2 3.87Å; R122-E125 IonicContact NE-OE2 2.72Å; R122-E125 IonicContact NH1-OE2 3.44Å; R122-E125 PolarHBondContact NH1-OE2 2.88Å; R122-E125 PolarHBondContact O-N 3.13Å; E125-F127 PolarHBondContact O-N 2.86Å; E125-F128 PolarHBondContact O-N 3.49Å; E125-E129 WeakPolarHBondContact O-CA 3.34Å; E125-E129 WeakPolarHBondContact O-CB 3.14Å; E125-E129 PolarHBondContact O-N 2.95Å; E125-L362 HydrophobicContact CG-CD2 4.26Å
126F89.7Confident89.7Confident10 Ų1042.3 Ų42.34%0.04420%0.203CC..Iπ-helixtrans-56.9-49.1177.2-85.6-71.7000111.7W82 E86 W89 R122 A123 T130 F131W82-F126 HydrophobicContact CB-CE2 3.95Å; W82-F126 HydrophobicContact CB-CZ 4.16Å; W82-F126 HydrophobicContact CD2-CE2 4.03Å; W82-F126 AromaticContact CE3-CD2 3.64Å; W82-F126 HydrophobicContact CE3-CD2 3.64Å; W82-F126 AromaticContact CE3-CE2 3.42Å; W82-F126 HydrophobicContact CE3-CE2 3.42Å; W82-F126 VanDerWaalsContact CE3-CE2 3.42Å; W82-F126 HydrophobicContact CG-CE2 4.28Å; W82-F126 HydrophobicContact CZ3-CD2 4.02Å; W82-F126 HydrophobicContact CZ3-CE2 4.24Å; E86-F126 HydrophobicContact CB-CD1 4.36Å; E86-F126 HydrophobicContact CB-CE1 3.91Å; E86-F126 HydrophobicContact CB-CZ 4.46Å; E86-F126 HydrophobicContact CG-CD1 4.04Å; E86-F126 HydrophobicContact CG-CE1 3.83Å; E86-F126 WeakPolarHBondContact OE2-CE1 3.4Å; W89-F126 HydrophobicContact CE3-CB 4.3Å; W89-F126 HydrophobicContact CE3-CG 4.48Å; W89-F126 HydrophobicContact CZ3-CB 3.77Å; W89-F126 AromaticContact CZ3-CD2 3.98Å; W89-F126 HydrophobicContact CZ3-CD2 3.98Å; W89-F126 AromaticContact CZ3-CG 3.88Å; W89-F126 HydrophobicContact CZ3-CG 3.88Å; R122-F126 HydrophobicContact CG-CD2 4.19Å; R122-F126 HydrophobicContact CG-CE2 3.97Å; R122-F126 VanDerWaalsContact O-CD2 3.24Å; R122-F126 WeakPolarHBondContact O-CD2 3.47Å; R122-F126 PolarHBondContact O-N 3.19Å; R122-F126 VanDerWaalsContact O-N 3.14Å; A123-F126 PolarHBondContact O-N 3.31Å; F126-T130 WeakPolarHBondContact O-CA 3.33Å; F126-T130 WeakPolarHBondContact O-CB 2.97Å; F126-T130 PolarHBondContact O-N 3.08Å; F126-F131 HydrophobicContact CB-CE2 4.49Å; F126-F131 WeakPolarHBondContact O-CD2 3.09Å; F126-F131 PolarHBondContact O-N 3.39Å
127F88.3Confident89.7Confident0 Ų040.7 Ų40.70%019%0.19CC..Iπ-helixtrans-67.1-43.4-177-80.9-68.9000113.2L25 W89 V107 L109 A123 S124 E125 F131 N132 V133 L136L25-F127 HydrophobicContact CD1-CE1 3.61Å; L25-F127 HydrophobicContact CD1-CE2 4.46Å; L25-F127 HydrophobicContact CD1-CZ 3.39Å; L25-F127 HydrophobicContact CG-CE1 4.29Å; L25-F127 HydrophobicContact CG-CZ 4.49Å; W89-F127 AromaticContact CD1-CZ 3.93Å; W89-F127 HydrophobicContact CD2-CE2 4.21Å; W89-F127 AromaticContact CD2-CZ 3.83Å; W89-F127 HydrophobicContact CD2-CZ 3.83Å; W89-F127 AromaticContact CE2-CE2 3.79Å; W89-F127 AromaticContact CE2-CZ 3.6Å; W89-F127 HydrophobicContact CE3-CE2 4.47Å; W89-F127 HydrophobicContact CE3-CZ 4.41Å; W89-F127 HydrophobicContact CG-CZ 4.07Å; W89-F127 AromaticContact CH2-CE2 3.99Å; W89-F127 HydrophobicContact CH2-CE2 3.99Å; W89-F127 AromaticContact CZ2-CE2 3.69Å; W89-F127 HydrophobicContact CZ2-CE2 3.69Å; W89-F127 HydrophobicContact CZ2-CZ 4.01Å; W89-F127 HydrophobicContact CZ3-CE2 4.37Å; W89-F127 AromaticContact NE1-CZ 3.66Å; V107-F127 HydrophobicContact CG1-CD1 4.26Å; V107-F127 HydrophobicContact CG1-CE1 4.12Å; V107-F127 HydrophobicContact CG2-CD1 4.31Å; L109-F127 HydrophobicContact CD1-CE2 3.83Å; L109-F127 HydrophobicContact CD1-CZ 4.1Å; L109-F127 HydrophobicContact CD2-CD2 4.37Å; L109-F127 HydrophobicContact CD2-CE2 3.95Å; L109-F127 HydrophobicContact CG-CE2 4.47Å; A123-F127 WeakPolarHBondContact O-CD2 3.33Å; A123-F127 PolarHBondContact O-N 3.2Å; S124-F127 PolarHBondContact O-N 3.43Å; E125-F127 PolarHBondContact O-N 2.86Å; F127-F131 HydrophobicContact CD1-CB 4.48Å; F127-F131 HydrophobicContact CD1-CD2 4.25Å; F127-F131 HydrophobicContact CE1-CD2 4.45Å; F127-F131 CarbonylContact O-C 3.47Å; F127-N132 PolarHBondContact O-N 3.38Å; F127-V133 HydrophobicContact CB-CG1 4.4Å; F127-V133 HydrophobicContact CB-CG2 3.89Å; F127-V133 HydrophobicContact CD1-CG1 3.96Å; F127-V133 WeakPolarHBondContact O-CG1 3.46Å; F127-V133 WeakPolarHBondContact O-CG2 3.43Å; F127-V133 PolarHBondContact O-N 3.08Å; F127-L136 HydrophobicContact CB-CD1 4.4Å; F127-L136 HydrophobicContact CB-CD2 4.2Å; F127-L136 HydrophobicContact CD2-CD1 4.38Å; F127-L136 HydrophobicContact CG-CD1 4.34Å
128F92.6Very high89.6Confident2 Ų237 Ų371%0.00917%0.171CC..Iπ-helixtrans-80.8-39.7-178-75.9-59.5000114S124 E125 N132 V133 L136 I352 K354 Y357 I365S124-F128 WeakPolarHBondContact O-CD2 3.36Å; S124-F128 PolarHBondContact O-N 3.41Å; E125-F128 PolarHBondContact O-N 3.49Å; F128-N132 VanDerWaalsContact O-CA 3.31Å; F128-N132 WeakPolarHBondContact O-CA 3.33Å; F128-V133 HydrophobicContact CD1-CG2 4.05Å; F128-V133 HydrophobicContact CE1-CG2 4.19Å; F128-L136 HydrophobicContact CD2-CD2 4.35Å; F128-L136 HydrophobicContact CE1-CB 4.14Å; F128-L136 HydrophobicContact CE2-CB 3.72Å; F128-L136 HydrophobicContact CE2-CD2 3.9Å; F128-L136 HydrophobicContact CE2-CG 4.47Å; F128-L136 HydrophobicContact CZ-CB 3.44Å; F128-L136 VanDerWaalsContact CZ-CB 3.44Å; F128-L136 HydrophobicContact CZ-CD2 4.49Å; F128-I352 HydrophobicContact CE2-CG2 4.36Å; F128-I352 HydrophobicContact CZ-CB 4.26Å; F128-I352 HydrophobicContact CZ-CG2 4.07Å; F128-I352 WeakPolarHBondContact CZ-O 3.36Å; F128-K354 HydrophobicContact CD1-CB 4.06Å; F128-K354 HydrophobicContact CD1-CG 4.08Å; F128-K354 HydrophobicContact CE1-CB 4.16Å; F128-Y357 HydrophobicContact CB-CD1 3.55Å; F128-Y357 HydrophobicContact CB-CE1 3.63Å; F128-Y357 HydrophobicContact CB-CG 4.06Å; F128-Y357 HydrophobicContact CD1-CD1 4.49Å; F128-Y357 HydrophobicContact CD1-CG 4.41Å; F128-Y357 AromaticContact CD2-CD1 3.89Å; F128-Y357 HydrophobicContact CD2-CD1 3.89Å; F128-Y357 AromaticContact CD2-CD2 3.48Å; F128-Y357 HydrophobicContact CD2-CD2 3.48Å; F128-Y357 VanDerWaalsContact CD2-CD2 3.48Å; F128-Y357 HydrophobicContact CD2-CE1 4.3Å; F128-Y357 AromaticContact CD2-CE2 3.91Å; F128-Y357 HydrophobicContact CD2-CE2 3.91Å; F128-Y357 AromaticContact CD2-CG 3.46Å; F128-Y357 HydrophobicContact CD2-CG 3.46Å; F128-Y357 VanDerWaalsContact CD2-CG 3.46Å; F128-Y357 AromaticContact CE2-CD2 3.85Å; F128-Y357 HydrophobicContact CE2-CD2 3.85Å; F128-Y357 AromaticContact CE2-CG 3.91Å; F128-Y357 HydrophobicContact CE2-CG 3.91Å; F128-Y357 AromaticContact CG-CD1 3.75Å; F128-Y357 HydrophobicContact CG-CD1 3.75Å; F128-Y357 HydrophobicContact CG-CD2 4.21Å; F128-Y357 HydrophobicContact CG-CE1 4.23Å; F128-Y357 AromaticContact CG-CG 3.74Å; F128-Y357 HydrophobicContact CG-CG 3.74Å; F128-I365 HydrophobicContact CE2-CD1 4.09Å
129E94.5Very high89.4Confident117 Ų11728.8 Ų28.855%0.54714%0.142SC..Iπ-helixtrans-94.8-41.4-172-56.7179.7-164.200112.1E125 N132 Y357E125-E129 WeakPolarHBondContact O-CA 3.34Å; E125-E129 WeakPolarHBondContact O-CB 3.14Å; E125-E129 PolarHBondContact O-N 2.95Å; E129-N132 PolarHBondContact O-ND2 2.85Å; E129-Y357 HydrophobicContact CG-CE1 3.96Å; E129-Y357 PolarHBondContact OE1-OH 3.1Å
130T91.2Very high89.4Confident65 Ų6530.1 Ų30.140%0.39915%0.148SC..Iπ-helixtrans-86.5-54.3-178.9-50.30000111.1F126 N132F126-T130 WeakPolarHBondContact O-CA 3.33Å; F126-T130 WeakPolarHBondContact O-CB 2.97Å; F126-T130 PolarHBondContact O-N 3.08Å; T130-N132 PolarHBondContact O-ND2 2.88Å
131F88.2Confident89.4Confident12 Ų1229.5 Ų29.55%0.05315%0.146CC..SBendtrans-86.1-7.9-179-65.6-73.7000113.8E86 W89 Q90 Y93 P102 F126 F127 V133E86-F131 HydrophobicContact CG-CE2 4.41Å; E86-F131 HydrophobicContact CG-CZ 4.18Å; W89-F131 HydrophobicContact CB-CE1 4.14Å; W89-F131 HydrophobicContact CB-CE2 3.73Å; W89-F131 HydrophobicContact CB-CZ 3.38Å; W89-F131 HydrophobicContact CD2-CE2 4.35Å; W89-F131 AromaticContact CE3-CE2 3.86Å; W89-F131 HydrophobicContact CE3-CE2 3.86Å; W89-F131 HydrophobicContact CG-CE2 4.36Å; W89-F131 HydrophobicContact CG-CZ 4.44Å; Q90-F131 HydrophobicContact CB-CE1 4.43Å; Q90-F131 HydrophobicContact CG-CE1 3.68Å; Q90-F131 HydrophobicContact CG-CZ 3.8Å; Y93-F131 HydrophobicContact CD2-CD1 4.14Å; Y93-F131 HydrophobicContact CD2-CE1 4.26Å; Y93-F131 HydrophobicContact CE2-CD1 4.18Å; P102-F131 HydrophobicContact CB-CB 3.9Å; P102-F131 HydrophobicContact CB-CD1 4.36Å; P102-F131 VanDerWaalsContact CB-O 3.31Å; P102-F131 WeakPolarHBondContact CB-O 3.47Å; P102-F131 HydrophobicContact CG-CB 4.2Å; P102-F131 HydrophobicContact CG-CD1 4.17Å; P102-F131 WeakPolarHBondContact CG-O 3.1Å; F126-F131 HydrophobicContact CB-CE2 4.49Å; F126-F131 WeakPolarHBondContact O-CD2 3.09Å; F126-F131 PolarHBondContact O-N 3.39Å; F127-F131 HydrophobicContact CD1-CB 4.48Å; F127-F131 HydrophobicContact CD1-CD2 4.25Å; F127-F131 HydrophobicContact CE1-CD2 4.45Å; F127-F131 CarbonylContact O-C 3.47Å; F131-V133 HydrophobicContact CB-CG1 4.05Å; F131-V133 PolarHBondContact O-N 3.27Å; F131-V133 VanDerWaalsContact O-N 3.14Å
132N91.9Very high89.4Confident59 Ų5927.6 Ų27.632%0.31614%0.138SC..  trans55.432.8174.2-72-73.7000114.8E103 F127 F128 E129 T130 K354E103-N132 HydrophobicContact CG-CB 3.65Å; F127-N132 PolarHBondContact O-N 3.38Å; F128-N132 VanDerWaalsContact O-CA 3.31Å; F128-N132 WeakPolarHBondContact O-CA 3.33Å; E129-N132 PolarHBondContact O-ND2 2.85Å; T130-N132 PolarHBondContact O-ND2 2.88Å; N132-K354 PolarHBondContact OD1-NZ 2.64Å
133V87.7Confident89.4Confident0 Ų023.1 Ų23.10%012%0.123CC..  trans-64.3144-176.6-54.30000111.7P102 V107 F127 F128 F131P102-V133 HydrophobicContact CB-CG1 4.17Å; V107-V133 HydrophobicContact CG2-CB 4.1Å; V107-V133 HydrophobicContact CG2-CG1 3.67Å; V107-V133 HydrophobicContact CG2-CG2 4.48Å; F127-V133 HydrophobicContact CB-CG1 4.4Å; F127-V133 HydrophobicContact CB-CG2 3.89Å; F127-V133 HydrophobicContact CD1-CG1 3.96Å; F127-V133 WeakPolarHBondContact O-CG1 3.46Å; F127-V133 WeakPolarHBondContact O-CG2 3.43Å; F127-V133 PolarHBondContact O-N 3.08Å; F128-V133 HydrophobicContact CD1-CG2 4.05Å; F128-V133 HydrophobicContact CE1-CG2 4.19Å; F131-V133 HydrophobicContact CB-CG1 4.05Å; F131-V133 PolarHBondContact O-N 3.27Å; F131-V133 VanDerWaalsContact O-N 3.14Å
134P87.9Confident89.5Confident48 Ų4823 Ų2331%0.31212%0.122SC..SBendtrans-73.3-29.2-175.427.5-35.2000113.5E103 H105 P106 K354E103-P134 WeakPolarHBondContact O-CD 3.26Å; H105-P134 WeakPolarHBondContact O-CD 3.39Å; P106-P134 HydrophobicContact CB-CG 4.33Å; P134-K354 PolarHBondContact O-N 3.07Å
135A87.6Confident89.6Confident5 Ų523 Ų234%0.04112%0.122CC..EExtended strand (participates in β ladder)trans-156.1154.1172.100000111.3P106 V107 W351 I352P106-A135 CarbonylContact C-O 3.47Å; P106-A135 WeakPolarHBondContact CA-O 3.28Å; P106-A135 HydrophobicContact CB-CB 3.76Å; P106-A135 WeakPolarHBondContact CB-O 3.35Å; V107-A135 PolarHBondContact N-O 3.06Å; A135-W351 HydrophobicContact CB-CB 4.05Å; A135-W351 HydrophobicContact CB-CD2 3.89Å; A135-W351 HydrophobicContact CB-CE3 4.41Å; A135-W351 HydrophobicContact CB-CG 3.72Å; A135-I352 CarbonylContact C-O 3.58Å; A135-I352 WeakPolarHBondContact CA-O 3.46Å; A135-I352 WeakPolarHBondContact CB-O 3.23Å
136L87.3Confident89.7Confident1 Ų120.7 Ų20.71%0.00511%0.111CC..EExtended strand (participates in β ladder)trans-132.3137.1-179.8-178.364.6000110.5V107 L109 F127 F128 I138 I352V107-L136 HydrophobicContact CB-CD1 3.93Å; V107-L136 HydrophobicContact CG1-CD1 3.85Å; V107-L136 CarbonylContact O-C 3.58Å; V107-L136 WeakPolarHBondContact O-CA 3.49Å; L109-L136 HydrophobicContact CB-CD1 4.23Å; F127-L136 HydrophobicContact CB-CD1 4.4Å; F127-L136 HydrophobicContact CB-CD2 4.2Å; F127-L136 HydrophobicContact CD2-CD1 4.38Å; F127-L136 HydrophobicContact CG-CD1 4.34Å; F128-L136 HydrophobicContact CD2-CD2 4.35Å; F128-L136 HydrophobicContact CE1-CB 4.14Å; F128-L136 HydrophobicContact CE2-CB 3.72Å; F128-L136 HydrophobicContact CE2-CD2 3.9Å; F128-L136 HydrophobicContact CE2-CG 4.47Å; F128-L136 HydrophobicContact CZ-CB 3.44Å; F128-L136 VanDerWaalsContact CZ-CB 3.44Å; F128-L136 HydrophobicContact CZ-CD2 4.49Å; L136-I138 HydrophobicContact CD1-CG1 4.48Å; L136-I138 HydrophobicContact CD2-CD1 4.12Å; L136-I138 HydrophobicContact CD2-CG1 4.23Å; L136-I138 HydrophobicContact CG-CG1 4.13Å; L136-I352 PolarHBondContact N-O 3.28Å; L136-I352 PolarHBondContact O-N 3.27Å
137F87.1Confident89.8Confident25 Ų2522.8 Ų22.811%0.1112%0.119CC..EExtended strand (participates in β ladder)trans-129.2134.7166.3-176.1-105.8000109.5V107 L108 L109 L341 F347 M350 W351 F369V107-F137 PolarHBondContact O-N 2.84Å; L108-F137 CarbonylContact C-O 3.55Å; L108-F137 VanDerWaalsContact CA-O 3.29Å; L108-F137 WeakPolarHBondContact CA-O 3.45Å; L108-F137 HydrophobicContact CD1-CD1 4.11Å; L108-F137 HydrophobicContact CG-CD1 4.03Å; L109-F137 PolarHBondContact N-O 3.29Å; F137-L341 HydrophobicContact CE1-CD2 3.92Å; F137-F347 HydrophobicContact CB-CE2 4.35Å; F137-F347 HydrophobicContact CB-CZ 3.74Å; F137-F347 AromaticContact CD1-CE2 3.45Å; F137-F347 HydrophobicContact CD1-CE2 3.45Å; F137-F347 VanDerWaalsContact CD1-CE2 3.45Å; F137-F347 AromaticContact CD1-CZ 3.58Å; F137-F347 HydrophobicContact CD1-CZ 3.58Å; F137-F347 AromaticContact CE1-CE2 3.78Å; F137-F347 HydrophobicContact CE1-CE2 3.78Å; F137-F347 HydrophobicContact CE1-CZ 4.37Å; F137-F347 AromaticContact CG-CE2 3.86Å; F137-F347 HydrophobicContact CG-CE2 3.86Å; F137-F347 AromaticContact CG-CZ 3.76Å; F137-F347 HydrophobicContact CG-CZ 3.76Å; F137-F347 HydrophobicContact CZ-CE2 4.45Å; F137-M350 HydrophobicContact CD2-CB 4.12Å; F137-M350 HydrophobicContact CE2-CB 3.86Å; F137-W351 HydrophobicContact CB-CB 4.15Å; F137-F369 AromaticContact CD2-CE1 3.87Å; F137-F369 HydrophobicContact CD2-CE1 3.87Å; F137-F369 HydrophobicContact CD2-CZ 4.2Å; F137-F369 AromaticContact CE2-CE1 3.79Å; F137-F369 HydrophobicContact CE2-CE1 3.79Å; F137-F369 HydrophobicContact CZ-CE1 4.46Å
138I87Confident89.8Confident5 Ų524 Ų243%0.02613%0.127CC..EExtended strand (participates in β ladder)trans-114.2127.2-180-54.3-178.1000108L109 E111 R120 L136 F369L109-I138 HydrophobicContact CB-CG1 4.19Å; L109-I138 CarbonylContact O-C 3.59Å; L109-I138 VanDerWaalsContact O-CA 3.3Å; L109-I138 WeakPolarHBondContact O-CA 3.49Å; E111-I138 HydrophobicContact CB-CG2 4.28Å; E111-I138 HydrophobicContact CG-CG2 3.72Å; R120-I138 HydrophobicContact CG-CD1 3.46Å; R120-I138 VanDerWaalsContact CG-CD1 3.46Å; R120-I138 HydrophobicContact CG-CG2 4.44Å; L136-I138 HydrophobicContact CD1-CG1 4.48Å; L136-I138 HydrophobicContact CD2-CD1 4.12Å; L136-I138 HydrophobicContact CD2-CG1 4.23Å; L136-I138 HydrophobicContact CG-CG1 4.13Å; I138-F369 HydrophobicContact CB-CE1 4.16Å; I138-F369 HydrophobicContact CB-CE2 4.26Å; I138-F369 HydrophobicContact CB-CZ 3.9Å; I138-F369 HydrophobicContact CG1-CE2 4.39Å; I138-F369 HydrophobicContact CG1-CZ 4.25Å; I138-F369 VanDerWaalsContact N-CZ 3.32Å; I138-F369 WeakPolarHBondContact O-CD1 2.95Å; I138-F369 WeakPolarHBondContact O-CE1 3.25Å
139S86.3Confident89.8Confident13 Ų1325.6 Ų25.69%0.09114%0.137CC..EExtended strand (participates in β ladder)trans-129.5148.6-176.9-158.80000112.6L109 T110 E111L109-S139 PolarHBondContact O-N 3.07Å; T110-S139 CarbonylContact C-O 3.47Å; T110-S139 WeakPolarHBondContact CA-O 3.35Å; E111-S139 PolarHBondContact N-O 3.2Å
140M88.5Confident89.6Confident38 Ų3823.5 Ų23.519%0.18715%0.147CC..EExtended strand (participates in β ladder)trans-73130.9176.9-170.5-178.6-61.900110.3E111 A113 A142 V143 L144 V167 A174 I179E111-M140 WeakPolarHBondContact O-CA 3.31Å; A113-M140 HydrophobicContact CB-CE 4.3Å; A113-M140 HydrophobicContact CB-CG 4.29Å; A113-M140 HydrophobicContact CB-SD 3.75Å; M140-A142 VanDerWaalsContact C-N 3.28Å; M140-A142 PolarHBondContact O-N 2.69Å; M140-V143 HydrophobicContact CB-CB 4.44Å; M140-V143 HydrophobicContact CB-CG2 4.04Å; M140-V143 PolarHBondContact O-N 2.72Å; M140-L144 PolarHBondContact O-N 2.78Å; M140-V167 HydrophobicContact SD-CG1 3.82Å; M140-V167 HydrophobicContact SD-CG2 4.35Å; M140-A174 HydrophobicContact CE-CB 4.04Å; M140-A174 HydrophobicContact SD-CB 3.92Å; M140-I179 HydrophobicContact CE-CD1 4.08Å; M140-I179 HydrophobicContact SD-CD1 4.32Å
141Q88.5Confident89.7Confident18 Ų1824 Ų248%0.08414%0.142CC..Hα-helixtrans-52.3-45.3-177.5-71.7172.3-1.300112.8T110 E111 V143 L144 S145 T334T110-Q141 WeakPolarHBondContact OG1-CG 3.47Å; T110-Q141 PolarHBondContact OG1-NE2 3.19Å; T110-Q141 VanDerWaalsContact OG1-NE2 3.14Å; E111-Q141 WeakPolarHBondContact O-CG 3.45Å; E111-Q141 PolarHBondContact O-N 3.28Å; Q141-V143 VanDerWaalsContact C-N 3.35Å; Q141-V143 PolarHBondContact O-N 3.16Å; Q141-L144 PolarHBondContact O-N 2.87Å; Q141-S145 PolarHBondContact O-N 3.45Å; Q141-S145 PolarHBondContact O-OG 3.16Å; Q141-T334 HydrophobicContact CB-CG2 3.99Å; Q141-T334 HydrophobicContact CG-CG2 3.97Å
142A90.8Very high89.9Confident4 Ų427.3 Ų27.33%0.03316%0.163CC..Hα-helixtrans-61.7-38.217900000113.4M140 S145 L146 V156 V167M140-A142 VanDerWaalsContact C-N 3.28Å; M140-A142 PolarHBondContact O-N 2.69Å; A142-S145 PolarHBondContact O-N 3.45Å; A142-L146 PolarHBondContact O-N 3Å; A142-V156 HydrophobicContact CB-CB 4.09Å; A142-V156 HydrophobicContact CB-CG1 4.08Å; A142-V156 WeakPolarHBondContact O-CG2 3.28Å; A142-V167 HydrophobicContact CB-CB 3.65Å; A142-V167 HydrophobicContact CB-CG1 4.03Å; A142-V167 HydrophobicContact CB-CG2 3.63Å
143V92.1Very high90.2Very high13 Ų1325.8 Ų25.88%0.07916%0.156CC..Hα-helixtrans-64.9-44.1178.51760000110.3M140 Q141 L146 Y147 I169 A174M140-V143 HydrophobicContact CB-CB 4.44Å; M140-V143 HydrophobicContact CB-CG2 4.04Å; M140-V143 PolarHBondContact O-N 2.72Å; Q141-V143 VanDerWaalsContact C-N 3.35Å; Q141-V143 PolarHBondContact O-N 3.16Å; V143-L146 PolarHBondContact O-N 2.77Å; V143-Y147 HydrophobicContact CG1-CE1 4.15Å; V143-Y147 HydrophobicContact CG1-CE2 3.88Å; V143-Y147 PolarHBondContact O-N 3.21Å; V143-Y147 VanDerWaalsContact O-N 3.15Å; V143-I169 HydrophobicContact CB-CD1 4.46Å; V143-I169 HydrophobicContact CG2-CD1 4.05Å; V143-I169 HydrophobicContact CG2-CG1 4.23Å; V143-A174 HydrophobicContact CG2-CB 4.07Å
144L90.5Very high90.6Very high0 Ų025.8 Ų25.80%016%0.156CC..Hα-helixtrans-62.9-45.5174.3-58.6-177.1000111V24 L108 T110 M140 Q141 L146 Y147 S148 T334 G337 L341V24-L144 HydrophobicContact CG2-CD1 4.22Å; L108-L144 HydrophobicContact CD2-CD1 3.99Å; T110-L144 HydrophobicContact CG2-CD1 3.59Å; M140-L144 PolarHBondContact O-N 2.78Å; Q141-L144 PolarHBondContact O-N 2.87Å; L144-L146 PolarHBondContact O-N 3.32Å; L144-Y147 HydrophobicContact CD2-CD2 4.3Å; L144-Y147 WeakPolarHBondContact O-CA 3.43Å; L144-Y147 WeakPolarHBondContact O-CB 3.42Å; L144-Y147 PolarHBondContact O-N 2.85Å; L144-S148 PolarHBondContact O-N 3.2Å; L144-S148 VanDerWaalsContact O-N 3.11Å; L144-T334 HydrophobicContact CB-CG2 4.12Å; L144-T334 WeakPolarHBondContact CB-O 3.39Å; L144-T334 HydrophobicContact CD1-CG2 4.05Å; L144-G337 WeakPolarHBondContact O-CA 3.42Å; L144-L341 HydrophobicContact CD2-CB 4.31Å; L144-L341 HydrophobicContact CD2-CD2 3.54Å
145S91Very high91.1Very high0 Ų023.5 Ų23.50%014%0.141CC..Hα-helixtrans-57-37.2176.9-660000112.5Q141 A142 S148 S295 T334Q141-S145 PolarHBondContact O-N 3.45Å; Q141-S145 PolarHBondContact O-OG 3.16Å; A142-S145 PolarHBondContact O-N 3.45Å; S145-S148 WeakPolarHBondContact O-CB 3.32Å; S145-S148 PolarHBondContact O-N 3.46Å; S145-S148 PolarHBondContact O-OG 2.7Å; S145-S295 WeakPolarHBondContact CB-OG 3.38Å; S145-S295 PolarHBondContact OG-OG 2.93Å; S145-T334 PolarHBondContact OG-N 2.76Å; S145-T334 PolarHBondContact OG-OG1 3.41Å
146L95.2Very high91.6Very high0 Ų023.2 Ų23.20%014%0.139CC..Hα-helixtrans-64.2-43.8173.3-17365.6000112.1A142 V143 L144 S148 T149 R151 V156 I169 V293A142-L146 PolarHBondContact O-N 3Å; V143-L146 PolarHBondContact O-N 2.77Å; L144-L146 PolarHBondContact O-N 3.32Å; L146-S148 PolarHBondContact O-N 3.32Å; L146-T149 PolarHBondContact O-N 3.43Å; L146-T149 PolarHBondContact O-OG1 2.96Å; L146-R151 HydrophobicContact CD1-CB 3.9Å; L146-R151 HydrophobicContact CG-CB 4.16Å; L146-R151 WeakPolarHBondContact CG-O 3.39Å; L146-V156 HydrophobicContact CB-CG2 3.78Å; L146-V156 HydrophobicContact CD1-CG2 4.18Å; L146-I169 HydrophobicContact CB-CD1 3.85Å; L146-I169 HydrophobicContact CD2-CB 3.73Å; L146-I169 HydrophobicContact CD2-CD1 3.75Å; L146-I169 HydrophobicContact CD2-CG1 4.36Å; L146-I169 HydrophobicContact CD2-CG2 3.67Å; L146-I169 HydrophobicContact CG-CD1 4.4Å; L146-V293 HydrophobicContact CD1-CG2 3.91Å
147Y91.1Very high92.2Very high53 Ų5323.2 Ų23.221%0.20814%0.139CC..Hα-helixtrans-60.3-28.3178.1-66.1-15.6000113V143 L144 T149 G150 I340 L341V143-Y147 HydrophobicContact CG1-CE1 4.15Å; V143-Y147 HydrophobicContact CG1-CE2 3.88Å; V143-Y147 PolarHBondContact O-N 3.21Å; V143-Y147 VanDerWaalsContact O-N 3.15Å; L144-Y147 HydrophobicContact CD2-CD2 4.3Å; L144-Y147 WeakPolarHBondContact O-CA 3.43Å; L144-Y147 WeakPolarHBondContact O-CB 3.42Å; L144-Y147 PolarHBondContact O-N 2.85Å; Y147-T149 PolarHBondContact O-N 3.34Å; Y147-G150 PolarHBondContact O-N 2.78Å; Y147-I340 WeakPolarHBondContact O-CD1 3.41Å; Y147-L341 HydrophobicContact CD2-CB 4.28Å; Y147-L341 HydrophobicContact CD2-CD1 4.38Å; Y147-L341 HydrophobicContact CE2-CD1 3.93Å; Y147-L341 HydrophobicContact CE2-CD2 4.22Å; Y147-L341 HydrophobicContact CE2-CG 4.47Å
148S88.9Confident92.4Very high25 Ų2522.5 Ų22.518%0.17514%0.136CC..Hα-helixtrans-59.2-26.3173.178.30000113.4L144 S145 L146 S333L144-S148 PolarHBondContact O-N 3.2Å; L144-S148 VanDerWaalsContact O-N 3.11Å; S145-S148 WeakPolarHBondContact O-CB 3.32Å; S145-S148 PolarHBondContact O-N 3.46Å; S145-S148 PolarHBondContact O-OG 2.7Å; L146-S148 PolarHBondContact O-N 3.32Å; S148-S333 VanDerWaalsContact CB-O 3.31Å; S148-S333 WeakPolarHBondContact CB-O 3.32Å; S148-S333 WeakPolarHBondContact OG-CB 3.08Å; S148-S333 PolarHBondContact OG-OG 2.88Å; S148-S333 VanDerWaalsContact OG-OG 3.09Å
149T92.9Very high92.7Very high36 Ų3622.2 Ų22.222%0.22114%0.135CC..THydrogen-bonded Turntrans-91.52.717769.50000113.6L146 Y147 R151 V293 P327L146-T149 PolarHBondContact O-N 3.43Å; L146-T149 PolarHBondContact O-OG1 2.96Å; Y147-T149 PolarHBondContact O-N 3.34Å; T149-R151 VanDerWaalsContact C-N 3.27Å; T149-R151 PolarHBondContact O-N 2.88Å; T149-V293 HydrophobicContact CG2-CG1 3.66Å; T149-V293 HydrophobicContact CG2-CG2 4.08Å; T149-P327 HydrophobicContact CG2-CG 4.06Å
150G90.8Very high92.8Very high73 Ų7321.9 Ų21.975%0.75313%0.133SC*.THydrogen-bonded Turntrans68.922.5-177.100000114Y147Y147-G150 PolarHBondContact O-N 2.78Å
151R93.3Very high92.6Very high76 Ų7620.1 Ų20.129%0.28712%0.124SC..  trans-111152.4-179.4-63.1178.3-172.5150.72.9111L146 T149 T325L146-R151 HydrophobicContact CD1-CB 3.9Å; L146-R151 HydrophobicContact CG-CB 4.16Å; L146-R151 WeakPolarHBondContact CG-O 3.39Å; T149-R151 VanDerWaalsContact C-N 3.27Å; T149-R151 PolarHBondContact O-N 2.88Å; R151-T325 PolarHBondContact NH1-OG1 2.88Å; R151-T325 PolarHBondContact NH2-OG1 3.5Å; R151-T325 VanDerWaalsContact NH2-OG1 3.11Å
152T92.5Very high92.3Very high82 Ų8219.3 Ų19.350%0.50312%0.121SC..SBendtrans-111.7-14.917353.20000112.7E171 G172T152-E171 PolarHBondContact O-N 2.92Å; T152-G172 PolarHBondContact O-N 2.81Å
153T96.8Very high92.1Very high26 Ų2619.4 Ų19.416%0.1612%0.122CC..SBendtrans-127.9134.7177.4-61.30000110I169 F170 E171 T287T153-I169 CarbonylContact C-O 3.39Å; T153-I169 VanDerWaalsContact CA-O 3.29Å; T153-I169 WeakPolarHBondContact CA-O 3.39Å; T153-F170 HydrophobicContact CG2-CD2 3.79Å; T153-F170 HydrophobicContact CG2-CE2 4.45Å; T153-E171 PolarHBondContact OG1-N 3.1Å; T153-T287 HydrophobicContact CG2-CG2 4.05Å
154G97.7Very high92.2Very high0 Ų018.9 Ų18.90%012%0.118CC..EExtended strand (participates in β ladder)trans161173.9179.200000112.1I169 N291G154-I169 PolarHBondContact N-O 2.82Å; G154-I169 PolarHBondContact O-N 2.68Å; G154-N291 CarbonylContact C-O 3.17Å; G154-N291 WeakPolarHBondContact CA-O 3.43Å
155T98.3Very high92.3Very high0 Ų019.2 Ų19.20%012%0.12CC..EExtended strand (participates in β ladder)trans-109.2122.7172.9-55.90000109.4P168 L273 I277 L288 N291 I292 V293T155-P168 HydrophobicContact CG2-CG 4.29Å; T155-L273 HydrophobicContact CG2-CD1 3.42Å; T155-L273 VanDerWaalsContact CG2-CD1 3.42Å; T155-I277 HydrophobicContact CG2-CD1 4.34Å; T155-I277 HydrophobicContact CG2-CG1 4.06Å; T155-L288 WeakPolarHBondContact OG1-CB 3.23Å; T155-L288 WeakPolarHBondContact OG1-CD2 3.03Å; T155-N291 PolarHBondContact N-O 3.45Å; T155-I292 CarbonylContact O-C 3.59Å; T155-I292 VanDerWaalsContact O-CA 3.29Å; T155-I292 WeakPolarHBondContact O-CA 3.49Å; T155-V293 PolarHBondContact O-N 3Å
156V98Very high92.6Very high0 Ų019.2 Ų19.20%012%0.12CC..EExtended strand (participates in β ladder)trans-94.4123.2174.7177.50000108.6A142 L146 A166 V167 I169 V293A142-V156 HydrophobicContact CB-CB 4.09Å; A142-V156 HydrophobicContact CB-CG1 4.08Å; A142-V156 WeakPolarHBondContact O-CG2 3.28Å; L146-V156 HydrophobicContact CB-CG2 3.78Å; L146-V156 HydrophobicContact CD1-CG2 4.18Å; V156-A166 WeakPolarHBondContact O-CA 3.22Å; V156-V167 PolarHBondContact N-O 3.11Å; V156-V167 PolarHBondContact O-N 3.07Å; V156-I169 HydrophobicContact CG2-CD1 3.95Å; V156-V293 WeakPolarHBondContact CA-O 3.39Å; V156-V293 HydrophobicContact CG2-CB 4.26Å
157L98Very high92.7Very high0 Ų019.2 Ų19.20%012%0.12CC..EExtended strand (participates in β ladder)trans-98.3105.8163.6179.867.1000107.4T164 H165 A166 A269 L273 V293 L294 S295 F304 L308L157-T164 HydrophobicContact CD1-CG2 3.82Å; L157-H165 CarbonylContact C-O 3.32Å; L157-H165 WeakPolarHBondContact CA-O 3.29Å; L157-A166 HydrophobicContact CD1-CB 4.24Å; L157-A269 HydrophobicContact CD2-CB 4.41Å; L157-L273 HydrophobicContact CB-CD1 4.36Å; L157-L273 HydrophobicContact CD1-CB 4.37Å; L157-L273 HydrophobicContact CD2-CD2 4.27Å; L157-V293 PolarHBondContact N-O 3.17Å; L157-L294 HydrophobicContact CB-CD2 3.99Å; L157-L294 HydrophobicContact CD2-CD2 4.02Å; L157-L294 HydrophobicContact CG-CD2 4.46Å; L157-S295 PolarHBondContact O-N 3.36Å; L157-F304 HydrophobicContact CD2-CE1 4.34Å; L157-F304 HydrophobicContact CD2-CZ 4.43Å; L157-L308 HydrophobicContact CD2-CD1 3.87Å; L157-L308 HydrophobicContact CD2-CD2 3.48Å; L157-L308 VanDerWaalsContact CD2-CD2 3.48Å; L157-L308 HydrophobicContact CD2-CG 4.34Å
158D92.8Very high93.1Very high10 Ų1016.7 Ų16.75%0.05311%0.11CC..EExtended strand (participates in β ladder)trans-96.9123.2172.5-155.2-42.7000109.4T164 H165 S295 G296D158-T164 CarbonylContact O-C 3.54Å; D158-T164 WeakPolarHBondContact O-CA 3.24Å; D158-H165 PolarHBondContact N-O 3.13Å; D158-H165 PolarHBondContact O-N 3.4Å; D158-S295 VanDerWaalsContact CA-O 3.31Å; D158-S295 WeakPolarHBondContact CA-O 3.43Å; D158-S295 WeakPolarHBondContact OD2-CB 3.12Å; D158-S295 PolarHBondContact OD2-OG 3.4Å; D158-G296 WeakPolarHBondContact OD1-CA 3.34Å
159C93.1Very high93.5Very high0 Ų015.5 Ų15.50%010%0.102CC..EExtended strand (participates in β ladder)trans-124.997.7174.8-1670000107.9T164 S295 G296 G297 S298 T299C159-T164 HydrophobicContact CB-CG2 4.2Å; C159-T164 PolarHBondContact SG-OG1 3.3Å; C159-S295 PolarHBondContact N-O 3.13Å; C159-G296 CarbonylContact O-C 3.23Å; C159-G296 WeakPolarHBondContact O-CA 3.19Å; C159-G297 PolarHBondContact O-N 3.49Å; C159-S298 VanDerWaalsContact O-CB 3.28Å; C159-S298 WeakPolarHBondContact O-CB 3.29Å; C159-S298 PolarHBondContact O-N 2.93Å; C159-S298 WeakPolarHBondContact SG-CB 3.33Å; C159-T299 HydrophobicContact CB-CG2 3.59Å
160G87.5Confident93.7Very high5 Ų517.5 Ų17.55%0.05211%0.107CC..  trans-94.4-158.2-18000000112.5V163 G185 G186 S298G160-V163 PolarHBondContact N-O 3.39Å; G160-G185 WeakPolarHBondContact O-CA 3.24Å; G160-G186 PolarHBondContact O-N 3.28Å; G160-S298 PolarHBondContact O-OG 2.87Å
161D83.9Confident93.8Very high1 Ų120.3 Ų20.31%0.00510%0.101CC..SBendtrans-77.2-39.7177.9-176.487.7000112.5D13 D14 G185 G186 R187 K217D13-D161 HydrophobicContact CB-CB 4.2Å; D14-D161 VanDerWaalsContact CG-CG 3.41Å; D161-G185 CarbonylContact O-C 3.31Å; D161-G185 WeakPolarHBondContact O-CA 3.5Å; D161-G186 PolarHBondContact O-N 2.82Å; D161-R187 WeakPolarHBondContact O-CB 3.5Å; D161-R187 PolarHBondContact O-N 3.27Å; D161-R187 PolarHBondContact OD1-N 3.27Å; D161-R187 WeakPolarHBondContact OD2-CB 3.46Å; D161-R187 IonicContact OD2-CZ 3.85Å; D161-R187 IonicContact OD2-NE 3.62Å; D161-R187 PolarHBondContact OD2-NE 3.06Å; D161-R187 VanDerWaalsContact OD2-NE 3.16Å; D161-R187 IonicContact OD2-NH2 2.69Å; D161-K217 IonicContact OD1-NZ 2.74Å
162G82.6Confident93.6Very high2 Ų217.3 Ų17.32%0.0219%0.094CC..SBendtrans-108.5-12.1-175.300000115.3H76H76-G162 PolarHBondContact CD2-O 3.37Å; H76-G162 VanDerWaalsContact CD2-O 3.28Å
163V87.8Confident93.6Very high6 Ų621 Ų214%0.03610%0.103CC..  trans-152.4147-168.5-88.30000111.1H76 G160 H165 T182 I184H76-V163 HydrophobicContact CB-CG1 3.92Å; H76-V163 WeakPolarHBondContact O-CG1 3.4Å; G160-V163 PolarHBondContact N-O 3.39Å; V163-H165 VanDerWaalsContact CB-CE1 3.48Å; V163-H165 WeakPolarHBondContact CB-CE1 3.41Å; V163-T182 WeakPolarHBondContact CA-O 3.32Å; V163-I184 CarbonylContact C-O 3.47Å
164T93.5Very high93.4Very high2 Ų220.9 Ų20.91%0.01210%0.104CC..EExtended strand (participates in β ladder)trans-120.5128.4168.3-59.10000109.3L157 D158 C159 R181 T182 I184 A269L157-T164 HydrophobicContact CD1-CG2 3.82Å; D158-T164 CarbonylContact O-C 3.54Å; D158-T164 WeakPolarHBondContact O-CA 3.24Å; C159-T164 HydrophobicContact CB-CG2 4.2Å; C159-T164 PolarHBondContact SG-OG1 3.3Å; T164-R181 CarbonylContact O-C 3.52Å; T164-R181 WeakPolarHBondContact O-CA 3.36Å; T164-T182 PolarHBondContact N-O 2.97Å; T164-T182 PolarHBondContact O-N 2.65Å; T164-I184 WeakPolarHBondContact CB-O 3.24Å; T164-I184 PolarHBondContact N-O 3.17Å; T164-I184 PolarHBondContact OG1-O 3.25Å; T164-A269 HydrophobicContact CG2-CB 4.09Å
165H93.2Very high93.3Very high7 Ų721.6 Ų21.63%0.03211%0.108CC..EExtended strand (participates in β ladder)trans-127.3136.2179.9-59.992.6000110.9A113 L157 D158 V163 V167 M180 R181A113-H165 PolarHBondContact O-NE2 2.96Å; L157-H165 CarbonylContact C-O 3.32Å; L157-H165 WeakPolarHBondContact CA-O 3.29Å; D158-H165 PolarHBondContact N-O 3.13Å; D158-H165 PolarHBondContact O-N 3.4Å; V163-H165 VanDerWaalsContact CB-CE1 3.48Å; V163-H165 WeakPolarHBondContact CB-CE1 3.41Å; H165-V167 HydrophobicContact CB-CG2 4.21Å; H165-M180 CarbonylContact C-O 3.59Å; H165-M180 WeakPolarHBondContact CA-O 3.44Å; H165-R181 VanDerWaalsContact CD2-CG 3.42Å; H165-R181 WeakPolarHBondContact CD2-CG 3.45Å; H165-R181 WeakPolarHBondContact NE2-CD 3.1Å; H165-R181 WeakPolarHBondContact NE2-CG 3.5Å; H165-R181 PolarHBondContact NE2-NE 3.2Å
166A97.8Very high93Very high0 Ų026.2 Ų26.20%014%0.138CC..EExtended strand (participates in β ladder)trans-110.6118.2164.300000108.8V156 L157 M180 C272 L273 S276V156-A166 WeakPolarHBondContact O-CA 3.22Å; L157-A166 HydrophobicContact CD1-CB 4.24Å; A166-M180 HydrophobicContact CB-CB 4.38Å; A166-M180 PolarHBondContact N-O 3.4Å; A166-M180 PolarHBondContact O-N 3.46Å; A166-C272 WeakPolarHBondContact CB-O 3.48Å; A166-L273 HydrophobicContact CB-CB 4.48Å; A166-L273 HydrophobicContact CB-CD1 4.35Å; A166-S276 PolarHBondContact O-OG 3.35Å
167V97.3Very high92.8Very high0 Ų031.6 Ų31.60%016%0.163CC..EExtended strand (participates in β ladder)trans-125.1106.7-174.5-175.40000109.4A113 M140 A142 V156 H165 I169 A174 I179A113-V167 HydrophobicContact CB-CG2 3.87Å; M140-V167 HydrophobicContact SD-CG1 3.82Å; M140-V167 HydrophobicContact SD-CG2 4.35Å; A142-V167 HydrophobicContact CB-CB 3.65Å; A142-V167 HydrophobicContact CB-CG1 4.03Å; A142-V167 HydrophobicContact CB-CG2 3.63Å; V156-V167 PolarHBondContact N-O 3.11Å; V156-V167 PolarHBondContact O-N 3.07Å; H165-V167 HydrophobicContact CB-CG2 4.21Å; V167-I169 HydrophobicContact CG1-CD1 4.46Å; V167-I169 HydrophobicContact CG1-CG1 4.01Å; V167-A174 HydrophobicContact CG1-CB 3.75Å; V167-I179 HydrophobicContact CG1-CD1 4.25Å; V167-I179 HydrophobicContact CG1-CG1 4.15Å; V167-I179 HydrophobicContact CG2-CG2 4.28Å
168P98.2Very high92.7Very high0 Ų031.6 Ų31.60%016%0.163CC..EExtended strand (participates in β ladder)trans-75131.6169.8-17.335.2000109.4T155 A174 M175 S276 L288T155-P168 HydrophobicContact CG2-CG 4.29Å; P168-A174 WeakPolarHBondContact O-CA 3.41Å; P168-M175 HydrophobicContact CB-CB 4.49Å; P168-M175 HydrophobicContact CB-SD 4.1Å; P168-M175 PolarHBondContact O-N 3.04Å; P168-S276 WeakPolarHBondContact CD-OG 3.42Å; P168-S276 WeakPolarHBondContact CG-OG 3.28Å; P168-L288 HydrophobicContact CB-CD1 3.97Å; P168-L288 HydrophobicContact CB-CD2 4.13Å
169I97.5Very high92.9Very high0 Ų031.8 Ų31.80%016%0.164CC..EExtended strand (participates in β ladder)trans-126.6132-177.7-58.7158000107.3V143 L146 T153 G154 V156 V167 F173 A174V143-I169 HydrophobicContact CB-CD1 4.46Å; V143-I169 HydrophobicContact CG2-CD1 4.05Å; V143-I169 HydrophobicContact CG2-CG1 4.23Å; L146-I169 HydrophobicContact CB-CD1 3.85Å; L146-I169 HydrophobicContact CD2-CB 3.73Å; L146-I169 HydrophobicContact CD2-CD1 3.75Å; L146-I169 HydrophobicContact CD2-CG1 4.36Å; L146-I169 HydrophobicContact CD2-CG2 3.67Å; L146-I169 HydrophobicContact CG-CD1 4.4Å; T153-I169 CarbonylContact C-O 3.39Å; T153-I169 VanDerWaalsContact CA-O 3.29Å; T153-I169 WeakPolarHBondContact CA-O 3.39Å; G154-I169 PolarHBondContact N-O 2.82Å; G154-I169 PolarHBondContact O-N 2.68Å; V156-I169 HydrophobicContact CG2-CD1 3.95Å; V167-I169 HydrophobicContact CG1-CD1 4.46Å; V167-I169 HydrophobicContact CG1-CG1 4.01Å; I169-F173 CarbonylContact C-O 3.57Å; I169-F173 WeakPolarHBondContact CA-O 3.12Å; I169-A174 HydrophobicContact CG1-CB 4.38Å
170F96.3Very high93.1Very high77 Ų7733.2 Ų33.234%0.33817%0.171SC..EExtended strand (participates in β ladder)trans-128.2124.3177-178.2-102.7000109.3T153 G172 F173 M175 L284T153-F170 HydrophobicContact CG2-CD2 3.79Å; T153-F170 HydrophobicContact CG2-CE2 4.45Å; F170-G172 PolarHBondContact O-N 3.03Å; F170-G172 VanDerWaalsContact O-N 3.08Å; F170-F173 PolarHBondContact N-O 3.17Å; F170-F173 PolarHBondContact O-N 2.7Å; F170-M175 HydrophobicContact CB-SD 4.48Å; F170-L284 HydrophobicContact CB-CD1 4.35Å; F170-L284 HydrophobicContact CD2-CD1 4.1Å; F170-L284 HydrophobicContact CD2-CD2 3.62Å; F170-L284 HydrophobicContact CE2-CD2 3.52Å; F170-L284 HydrophobicContact CG-CD1 4.12Å; F170-L284 HydrophobicContact CG-CD2 4.39Å; F170-L284 HydrophobicContact CZ-CD2 4.23Å
171E93.1Very high93.3Very high133 Ų13336.5 Ų36.562%0.62118%0.181SC*.THydrogen-bonded Turntrans5134.6-179.5-62.9-171.9166.700114T152 T153 F173T152-E171 PolarHBondContact O-N 2.92Å; T153-E171 PolarHBondContact OG1-N 3.1Å; E171-F173 WeakPolarHBondContact O-CD2 3.49Å
172G89.8Confident93.8Very high13 Ų1336.7 Ų36.713%0.13418%0.183CC..THydrogen-bonded Turntrans88-4.8-179.800000115.1T152 F170T152-G172 PolarHBondContact O-N 2.81Å; F170-G172 PolarHBondContact O-N 3.03Å; F170-G172 VanDerWaalsContact O-N 3.08Å
173F92Very high94.3Very high160 Ų16038.4 Ų38.470%0.70219%0.191SC*.EExtended strand (participates in β ladder)trans-103.1125.7178.7-61.6-83.8000111.1I169 F170 E171I169-F173 CarbonylContact C-O 3.57Å; I169-F173 WeakPolarHBondContact CA-O 3.12Å; F170-F173 PolarHBondContact N-O 3.17Å; F170-F173 PolarHBondContact O-N 2.7Å; E171-F173 WeakPolarHBondContact O-CD2 3.49Å
174A93.6Very high94.6Very high22 Ų2238.2 Ų38.218%0.18219%0.19CC..EExtended strand (participates in β ladder)trans-69.7137.1171.800000110M140 V143 V167 P168 I169 P176M140-A174 HydrophobicContact CE-CB 4.04Å; M140-A174 HydrophobicContact SD-CB 3.92Å; V143-A174 HydrophobicContact CG2-CB 4.07Å; V167-A174 HydrophobicContact CG1-CB 3.75Å; P168-A174 WeakPolarHBondContact O-CA 3.41Å; I169-A174 HydrophobicContact CG1-CB 4.38Å; A174-P176 WeakPolarHBondContact O-CD 3.4Å
175M94.7Very high94.4Very high16 Ų1638.1 Ų38.18%0.07919%0.19CC..  trans-88.397.6-178.9-63.417770.500110.8P168 F170 H177 S178 I179 D281 L284P168-M175 HydrophobicContact CB-CB 4.49Å; P168-M175 HydrophobicContact CB-SD 4.1Å; P168-M175 PolarHBondContact O-N 3.04Å; F170-M175 HydrophobicContact CB-SD 4.48Å; M175-H177 VanDerWaalsContact C-N 3.35Å; M175-H177 PolarHBondContact O-N 2.99Å; M175-S178 PolarHBondContact O-N 3.16Å; M175-I179 WeakPolarHBondContact O-CG1 3.49Å; M175-I179 PolarHBondContact O-N 3.44Å; M175-D281 VanDerWaalsContact CE-OD2 3.28Å; M175-D281 WeakPolarHBondContact CE-OD2 3.34Å; M175-L284 HydrophobicContact CE-CD1 3.88Å; M175-L284 HydrophobicContact SD-CD1 3.89Å
176P92.2Very high94.3Very high96 Ų9637.8 Ų37.862%0.62319%0.188SC*.G310 helixtrans-64.9-36.1-163.3-22.936.6000113.8A174 S178 I179A174-P176 WeakPolarHBondContact O-CD 3.4Å; P176-S178 PolarHBondContact O-N 3.23Å; P176-I179 PolarHBondContact O-N 3.04Å
177H93.3Very high93.9Very high113 Ų11340.5 Ų40.552%0.52320%0.198SC..G310 helixtrans-68.2-17.1178.665.1-90.7000113.4M175M175-H177 VanDerWaalsContact C-N 3.35Å; M175-H177 PolarHBondContact O-N 2.99Å
178S96.7Very high93.7Very high0 Ų040.9 Ų40.90%020%0.2CC..G310 helixtrans-103-5.2-179.3-64.80000113.6M175 P176 M180 S276 K279 S280M175-S178 PolarHBondContact O-N 3.16Å; P176-S178 PolarHBondContact O-N 3.23Å; S178-M180 PolarHBondContact O-N 3.12Å; S178-S276 WeakPolarHBondContact O-CA 3.33Å; S178-S276 WeakPolarHBondContact O-CB 3.31Å; S178-S276 PolarHBondContact O-OG 3.36Å; S178-K279 VanDerWaalsContact OG-C 3.28Å; S178-K279 PolarHBondContact OG-O 2.94Å; S178-S280 VanDerWaalsContact CB-OG 3.28Å; S178-S280 WeakPolarHBondContact CB-OG 3.27Å; S178-S280 WeakPolarHBondContact OG-CA 3.39Å; S178-S280 PolarHBondContact OG-N 2.83Å; S178-S280 VanDerWaalsContact OG-N 3.12Å; S178-S280 PolarHBondContact OG-OG 3.32Å
179I96.6Very high93.6Very high15 Ų1540.9 Ų40.98%0.07720%0.2CC..  trans-67.1129.3-179.9-64.3177.8000109.4A113 L114 M140 V167 M175 P176A113-I179 HydrophobicContact CB-CD1 4.29Å; A113-I179 HydrophobicContact CB-CG2 3.82Å; L114-I179 HydrophobicContact CD1-CG2 4.13Å; L114-I179 HydrophobicContact CD2-CG2 4.46Å; L114-I179 HydrophobicContact CG-CG2 4.04Å; M140-I179 HydrophobicContact CE-CD1 4.08Å; M140-I179 HydrophobicContact SD-CD1 4.32Å; V167-I179 HydrophobicContact CG1-CD1 4.25Å; V167-I179 HydrophobicContact CG1-CG1 4.15Å; V167-I179 HydrophobicContact CG2-CG2 4.28Å; M175-I179 WeakPolarHBondContact O-CG1 3.49Å; M175-I179 PolarHBondContact O-N 3.44Å; P176-I179 PolarHBondContact O-N 3.04Å
180M96.8Very high93.4Very high30 Ų3040.9 Ų40.915%0.14820%0.2CC..EExtended strand (participates in β ladder)trans-112.8139.4170.3-65.6-67.4-67.900109.3H165 A166 S178 C272 Y275 K279H165-M180 CarbonylContact C-O 3.59Å; H165-M180 WeakPolarHBondContact CA-O 3.44Å; A166-M180 HydrophobicContact CB-CB 4.38Å; A166-M180 PolarHBondContact N-O 3.4Å; A166-M180 PolarHBondContact O-N 3.46Å; S178-M180 PolarHBondContact O-N 3.12Å; M180-C272 WeakPolarHBondContact CB-SG 3.27Å; M180-Y275 HydrophobicContact CE-CD2 4.45Å; M180-K279 HydrophobicContact SD-CD 3.96Å; M180-K279 PolarHBondContact SD-NZ 3.28Å
181R93.3Very high93.3Very high73 Ų7341 Ų4128%0.27520%0.199SC..EExtended strand (participates in β ladder)trans-136.9137.2178176.5179.6179.1-131.30.5109.2H76 L114 T164 H165 N183H76-R181 PolarHBondContact O-NH2 3.4Å; L114-R181 HydrophobicContact CD1-CB 4.22Å; T164-R181 CarbonylContact O-C 3.52Å; T164-R181 WeakPolarHBondContact O-CA 3.36Å; H165-R181 VanDerWaalsContact CD2-CG 3.42Å; H165-R181 WeakPolarHBondContact CD2-CG 3.45Å; H165-R181 WeakPolarHBondContact NE2-CD 3.1Å; H165-R181 WeakPolarHBondContact NE2-CG 3.5Å; H165-R181 PolarHBondContact NE2-NE 3.2Å; R181-N183 VanDerWaalsContact CZ-OD1 3.26Å; R181-N183 PolarHBondContact NH2-OD1 3.04Å; R181-N183 VanDerWaalsContact NH2-OD1 3.17Å
182T93.9Very high93.3Very high5 Ų535.6 Ų35.63%0.03117%0.174CC..EExtended strand (participates in β ladder)trans-128.7147.4167.461.80000109.6V163 T164 I184 Y266 A267V163-T182 WeakPolarHBondContact CA-O 3.32Å; T164-T182 PolarHBondContact N-O 2.97Å; T164-T182 PolarHBondContact O-N 2.65Å; T182-I184 PolarHBondContact O-N 3.32Å; T182-Y266 HydrophobicContact CG2-CD1 4.26Å; T182-A267 HydrophobicContact CG2-CB 4.35Å; T182-A267 WeakPolarHBondContact CG2-O 3.44Å
183N92Very high93.6Very high38 Ų3835 Ų3520%0.20317%0.168CC..SBendtrans-88.938.6177.4-66.4-23.4000110.8H76 R181 Y266H76-N183 HydrophobicContact CB-CB 4.5Å; R181-N183 VanDerWaalsContact CZ-OD1 3.26Å; R181-N183 PolarHBondContact NH2-OD1 3.04Å; R181-N183 VanDerWaalsContact NH2-OD1 3.17Å; N183-Y266 HydrophobicContact CB-CE2 4.04Å; N183-Y266 PolarHBondContact ND2-OH 3.13Å
184I93.7Very high93.6Very high3 Ų330.9 Ų30.92%0.01515%0.147CC..  trans-112.1131.9175.2-61.1-65000107.5V163 T164 T182 D188 L256 P259 I262 E264 Y266V163-I184 CarbonylContact C-O 3.47Å; T164-I184 WeakPolarHBondContact CB-O 3.24Å; T164-I184 PolarHBondContact N-O 3.17Å; T164-I184 PolarHBondContact OG1-O 3.25Å; T182-I184 PolarHBondContact O-N 3.32Å; I184-D188 WeakPolarHBondContact CA-OD2 3.43Å; I184-L256 HydrophobicContact CG2-CD2 4.06Å; I184-P259 HydrophobicContact CD1-CB 3.99Å; I184-P259 HydrophobicContact CG1-CB 3.93Å; I184-P259 HydrophobicContact CG1-CG 3.96Å; I184-P259 HydrophobicContact CG2-CG 4.49Å; I184-I262 HydrophobicContact CD1-CD1 3.95Å; I184-E264 HydrophobicContact CD1-CB 4.14Å; I184-E264 HydrophobicContact CD1-CG 4.12Å; I184-Y266 HydrophobicContact CD1-CD2 3.94Å; I184-Y266 HydrophobicContact CG1-CD2 3.83Å; I184-Y266 HydrophobicContact CG1-CG 4.17Å
185G90.4Very high93.6Very high0 Ų033.9 Ų33.90%016%0.16CC..SBendtrans-159.4-161.5177.300000113.7G160 D161 R187 D188 V189G160-G185 WeakPolarHBondContact O-CA 3.24Å; D161-G185 CarbonylContact O-C 3.31Å; D161-G185 WeakPolarHBondContact O-CA 3.5Å; G185-R187 PolarHBondContact O-N 3.22Å; G185-D188 PolarHBondContact N-OD2 3.44Å; G185-D188 WeakPolarHBondContact O-CB 3.36Å; G185-D188 PolarHBondContact O-N 2.86Å; G185-D188 VanDerWaalsContact O-N 3.12Å; G185-V189 PolarHBondContact O-N 3.17Å
186G91.4Very high93.5Very high0 Ų034.3 Ų34.30%016%0.163CC..Hα-helixtrans-58.8-25.7-179.900000114.9G160 D161 V189 T190 K217 S298G160-G186 PolarHBondContact O-N 3.28Å; D161-G186 PolarHBondContact O-N 2.82Å; G186-V189 PolarHBondContact O-N 3.42Å; G186-T190 PolarHBondContact O-N 2.79Å; G186-T190 PolarHBondContact O-OG1 3.02Å; G186-K217 PolarHBondContact O-NZ 2.93Å; G186-S298 WeakPolarHBondContact CA-OG 3.43Å; G186-S298 PolarHBondContact N-OG 3.44Å; G186-S298 VanDerWaalsContact N-OG 3.1Å
187R88.4Confident93.4Very high56 Ų5629.8 Ų29.821%0.21113%0.133CC..Hα-helixtrans-66.3-41.3174.7-164.4168-74.2-112.622.8111.7D14 D161 G185 V189 T190 R191 F210D14-R187 IonicContact OD1-CZ 3.88Å; D14-R187 IonicContact OD1-NE 3.21Å; D14-R187 IonicContact OD1-NH2 3.87Å; D14-R187 PolarHBondContact OD1-NH2 2.97Å; D14-R187 IonicContact OD2-CZ 2.7Å; D14-R187 IonicContact OD2-NE 3.01Å; D14-R187 PolarHBondContact OD2-NE 3.22Å; D14-R187 IonicContact OD2-NH1 3.05Å; D14-R187 IonicContact OD2-NH2 3.96Å; D14-R187 PolarHBondContact OD2-NH2 2.94Å; D161-R187 WeakPolarHBondContact O-CB 3.5Å; D161-R187 PolarHBondContact O-N 3.27Å; D161-R187 PolarHBondContact OD1-N 3.27Å; D161-R187 WeakPolarHBondContact OD2-CB 3.46Å; D161-R187 IonicContact OD2-CZ 3.85Å; D161-R187 IonicContact OD2-NE 3.62Å; D161-R187 PolarHBondContact OD2-NE 3.06Å; D161-R187 VanDerWaalsContact OD2-NE 3.16Å; D161-R187 IonicContact OD2-NH2 2.69Å; G185-R187 PolarHBondContact O-N 3.22Å; R187-V189 VanDerWaalsContact C-N 3.35Å; R187-T190 WeakPolarHBondContact O-CB 3.34Å; R187-T190 PolarHBondContact O-N 2.97Å; R187-R191 WeakPolarHBondContact O-CB 3.45Å; R187-R191 PolarHBondContact O-N 2.79Å; R187-F210 HydrophobicContact CG-CZ 4.29Å
188D94.2Very high93.3Very high8 Ų828.5 Ų28.54%0.04313%0.129CC..Hα-helixtrans-66.6-41.1178.3-56.7-68.9000111.1I184 G185 T190 R191 L192 V255 I262I184-D188 WeakPolarHBondContact CA-OD2 3.43Å; G185-D188 PolarHBondContact N-OD2 3.44Å; G185-D188 WeakPolarHBondContact O-CB 3.36Å; G185-D188 PolarHBondContact O-N 2.86Å; G185-D188 VanDerWaalsContact O-N 3.12Å; D188-T190 VanDerWaalsContact C-N 3.31Å; D188-T190 PolarHBondContact O-N 2.89Å; D188-R191 PolarHBondContact O-N 3.24Å; D188-R191 IonicContact OD1-CZ 3.84Å; D188-R191 IonicContact OD1-NH1 2.87Å; D188-R191 PolarHBondContact OD1-NH1 3.29Å; D188-R191 IonicContact OD1-NH2 3.15Å; D188-R191 PolarHBondContact OD1-NH2 3.37Å; D188-L192 WeakPolarHBondContact O-CB 3.21Å; D188-L192 PolarHBondContact O-N 3.41Å; D188-V255 HydrophobicContact CB-CG1 4.36Å; D188-I262 HydrophobicContact CB-CD1 4.1Å
189V96Very high93Very high0 Ų036.6 Ų36.60%017%0.165CC..Hα-helixtrans-57.6-46.3170.7-178.50000110.5G185 G186 R187 R191 L192 L193 K217 A252 P253 V255 L256 F301G185-V189 PolarHBondContact O-N 3.17Å; G186-V189 PolarHBondContact O-N 3.42Å; R187-V189 VanDerWaalsContact C-N 3.35Å; V189-R191 PolarHBondContact O-N 2.98Å; V189-L192 PolarHBondContact O-N 2.64Å; V189-L193 VanDerWaalsContact O-CB 3.27Å; V189-L193 WeakPolarHBondContact O-CB 3.2Å; V189-L193 PolarHBondContact O-N 2.83Å; V189-K217 HydrophobicContact CB-CD 3.97Å; V189-K217 HydrophobicContact CG1-CD 3.7Å; V189-K217 HydrophobicContact CG1-CG 3.85Å; V189-A252 HydrophobicContact CG1-CB 4.15Å; V189-P253 HydrophobicContact CG1-CB 4.43Å; V189-P253 HydrophobicContact CG1-CG 4.13Å; V189-V255 HydrophobicContact CB-CG1 4.32Å; V189-V255 HydrophobicContact CG2-CG1 3.62Å; V189-L256 HydrophobicContact CG2-CD1 4.06Å; V189-L256 HydrophobicContact CG2-CD2 3.74Å; V189-L256 HydrophobicContact CG2-CG 3.67Å; V189-F301 HydrophobicContact CG1-CE2 4.34Å; V189-F301 HydrophobicContact CG1-CZ 3.89Å; V189-F301 HydrophobicContact CG2-CE2 4.32Å
190T92.9Very high92.4Very high0 Ų041.9 Ų41.90%019%0.189CC..Hα-helixtrans-63.2-42.8179.5-48.90000111.3G186 R187 D188 L193 R194 F210 V213 K214 K217G186-T190 PolarHBondContact O-N 2.79Å; G186-T190 PolarHBondContact O-OG1 3.02Å; R187-T190 WeakPolarHBondContact O-CB 3.34Å; R187-T190 PolarHBondContact O-N 2.97Å; D188-T190 VanDerWaalsContact C-N 3.31Å; D188-T190 PolarHBondContact O-N 2.89Å; T190-L193 PolarHBondContact O-N 3.3Å; T190-R194 PolarHBondContact O-N 3.5Å; T190-F210 HydrophobicContact CG2-CD1 4.27Å; T190-F210 HydrophobicContact CG2-CD2 4.16Å; T190-F210 HydrophobicContact CG2-CE1 3.79Å; T190-F210 HydrophobicContact CG2-CE2 3.67Å; T190-F210 HydrophobicContact CG2-CG 4.45Å; T190-F210 HydrophobicContact CG2-CZ 3.46Å; T190-F210 VanDerWaalsContact CG2-CZ 3.46Å; T190-V213 HydrophobicContact CG2-CB 4.08Å; T190-V213 HydrophobicContact CG2-CG1 3.85Å; T190-V213 WeakPolarHBondContact O-CG1 3.28Å; T190-K214 HydrophobicContact CG2-CB 3.93Å; T190-K217 WeakPolarHBondContact OG1-CD 3.34Å; T190-K217 WeakPolarHBondContact OG1-CE 3.44Å; T190-K217 PolarHBondContact OG1-NZ 3.2Å
191R93.5Very high91.9Very high80 Ų8043.7 Ų43.730%0.30222%0.216SC..Hα-helixtrans-65.2-44.9178.1-165.4-168.3-43.4101.46.6111.8R187 D188 V189 R194 L195 F210R187-R191 WeakPolarHBondContact O-CB 3.45Å; R187-R191 PolarHBondContact O-N 2.79Å; D188-R191 PolarHBondContact O-N 3.24Å; D188-R191 IonicContact OD1-CZ 3.84Å; D188-R191 IonicContact OD1-NH1 2.87Å; D188-R191 PolarHBondContact OD1-NH1 3.29Å; D188-R191 IonicContact OD1-NH2 3.15Å; D188-R191 PolarHBondContact OD1-NH2 3.37Å; V189-R191 PolarHBondContact O-N 2.98Å; R191-R194 PolarHBondContact O-N 3.38Å; R191-L195 WeakPolarHBondContact O-CG 3.29Å; R191-L195 PolarHBondContact O-N 2.74Å; R191-L195 VanDerWaalsContact O-N 3.12Å; R191-F210 HydrophobicContact CB-CE2 4.48Å
192L94.9Very high91.5Very high20 Ų2041.9 Ų41.911%0.10521%0.213CC..Hα-helixtrans-64.6-42.4176.3-179.656.9000110.8D188 V189 R194 L195 L196 V255 I262D188-L192 WeakPolarHBondContact O-CB 3.21Å; D188-L192 PolarHBondContact O-N 3.41Å; V189-L192 PolarHBondContact O-N 2.64Å; L192-R194 VanDerWaalsContact C-N 3.32Å; L192-R194 PolarHBondContact O-N 3.36Å; L192-L195 PolarHBondContact O-N 2.84Å; L192-L195 VanDerWaalsContact O-N 3.14Å; L192-L196 HydrophobicContact CD1-CD1 4.49Å; L192-L196 HydrophobicContact CD1-CG 4.27Å; L192-L196 HydrophobicContact CG-CD1 4.22Å; L192-L196 HydrophobicContact CG-CG 4.44Å; L192-L196 WeakPolarHBondContact O-CG 3.06Å; L192-L196 PolarHBondContact O-N 2.9Å; L192-V255 HydrophobicContact CD2-CB 3.92Å; L192-V255 HydrophobicContact CD2-CG1 4.48Å; L192-V255 HydrophobicContact CD2-CG2 4.5Å; L192-I262 HydrophobicContact CB-CG2 4.24Å; L192-I262 HydrophobicContact CD1-CG2 4.2Å; L192-I262 HydrophobicContact CD2-CG2 4.22Å; L192-I262 HydrophobicContact CG-CG2 4.45Å
193L94.7Very high91.2Very high1 Ų146 Ų461%0.00524%0.235CC..Hα-helixtrans-58-45.3175.5-177.659.9000111.3V189 T190 L195 L196 L197 V213 I216 K217 C248 A252V189-L193 VanDerWaalsContact O-CB 3.27Å; V189-L193 WeakPolarHBondContact O-CB 3.2Å; V189-L193 PolarHBondContact O-N 2.83Å; T190-L193 PolarHBondContact O-N 3.3Å; L193-L195 VanDerWaalsContact C-N 3.32Å; L193-L195 PolarHBondContact O-N 2.93Å; L193-L196 PolarHBondContact O-N 3.11Å; L193-L197 HydrophobicContact CD1-CD1 4.45Å; L193-L197 HydrophobicContact CD1-CG 4.28Å; L193-L197 HydrophobicContact CG-CD1 4.1Å; L193-L197 HydrophobicContact CG-CG 4.38Å; L193-L197 WeakPolarHBondContact O-CB 3.43Å; L193-L197 VanDerWaalsContact O-CG 3.3Å; L193-L197 WeakPolarHBondContact O-CG 3.09Å; L193-L197 PolarHBondContact O-N 3.5Å; L193-V213 HydrophobicContact CB-CG1 3.91Å; L193-V213 HydrophobicContact CD2-CG1 3.78Å; L193-V213 HydrophobicContact CG-CG1 3.8Å; L193-I216 HydrophobicContact CD2-CB 4.42Å; L193-I216 HydrophobicContact CD2-CG2 4.14Å; L193-K217 HydrophobicContact CD2-CB 3.76Å; L193-C248 HydrophobicContact CD1-CB 3.99Å; L193-A252 HydrophobicContact CB-CB 3.72Å; L193-A252 HydrophobicContact CD1-CB 4.04Å; L193-A252 HydrophobicContact CG-CB 4.43Å
194R93.2Very high90.8Very high72 Ų7244.9 Ų44.927%0.27223%0.228SC..Hα-helixtrans-57.1-45.1174.9-177175.662.1171.86.7112T190 R191 L192 L196 L197 L198 L204 V213T190-R194 PolarHBondContact O-N 3.5Å; R191-R194 PolarHBondContact O-N 3.38Å; L192-R194 VanDerWaalsContact C-N 3.32Å; L192-R194 PolarHBondContact O-N 3.36Å; R194-L196 VanDerWaalsContact C-N 3.33Å; R194-L196 PolarHBondContact O-N 2.81Å; R194-L197 PolarHBondContact O-N 3.41Å; R194-L198 WeakPolarHBondContact O-CB 3.39Å; R194-L198 PolarHBondContact O-N 2.87Å; R194-L204 WeakPolarHBondContact CD-O 3.3Å; R194-V213 HydrophobicContact CB-CG1 4.13Å; R194-V213 HydrophobicContact CB-CG2 4.19Å; R194-V213 HydrophobicContact CG-CG2 4.36Å
195L92.7Very high90.2Very high85 Ų8550.2 Ų50.245%0.44525%0.253SS..Hα-helixtrans-65.2-36.8177.9-68.5173.2000112.4R191 L192 L193 K199R191-L195 WeakPolarHBondContact O-CG 3.29Å; R191-L195 PolarHBondContact O-N 2.74Å; R191-L195 VanDerWaalsContact O-N 3.12Å; L192-L195 PolarHBondContact O-N 2.84Å; L192-L195 VanDerWaalsContact O-N 3.14Å; L193-L195 VanDerWaalsContact C-N 3.32Å; L193-L195 PolarHBondContact O-N 2.93Å; L195-K199 WeakPolarHBondContact O-CG 3.43Å; L195-K199 PolarHBondContact O-N 2.85Å
196L92.4Very high89.8Confident26 Ų2656.7 Ų56.714%0.13628%0.277CS..Hα-helixtrans-69.5-41.8175.8-66.7176.7000111.5L192 L193 R194 L198 K199 E200 C248 R251 A252L192-L196 HydrophobicContact CD1-CD1 4.49Å; L192-L196 HydrophobicContact CD1-CG 4.27Å; L192-L196 HydrophobicContact CG-CD1 4.22Å; L192-L196 HydrophobicContact CG-CG 4.44Å; L192-L196 WeakPolarHBondContact O-CG 3.06Å; L192-L196 PolarHBondContact O-N 2.9Å; L193-L196 PolarHBondContact O-N 3.11Å; R194-L196 VanDerWaalsContact C-N 3.33Å; R194-L196 PolarHBondContact O-N 2.81Å; L196-L198 VanDerWaalsContact C-N 3.32Å; L196-L198 PolarHBondContact O-N 3.09Å; L196-K199 WeakPolarHBondContact O-CB 3.45Å; L196-K199 PolarHBondContact O-N 2.78Å; L196-E200 PolarHBondContact O-N 3.09Å; L196-C248 HydrophobicContact CB-CB 3.82Å; L196-C248 HydrophobicContact CD1-CB 4.11Å; L196-R251 HydrophobicContact CD1-CB 3.81Å; L196-A252 HydrophobicContact CD1-CB 4.22Å
197L91.3Very high88.9Confident1 Ų159.4 Ų59.41%0.00530%0.296CS..Hα-helixtrans-61.1-40.5174.5-71.2173.6000111.9L193 R194 K199 E200 G201 V202 L204 V213 I216 V243 L245L193-L197 HydrophobicContact CD1-CD1 4.45Å; L193-L197 HydrophobicContact CD1-CG 4.28Å; L193-L197 HydrophobicContact CG-CD1 4.1Å; L193-L197 HydrophobicContact CG-CG 4.38Å; L193-L197 WeakPolarHBondContact O-CB 3.43Å; L193-L197 VanDerWaalsContact O-CG 3.3Å; L193-L197 WeakPolarHBondContact O-CG 3.09Å; L193-L197 PolarHBondContact O-N 3.5Å; R194-L197 PolarHBondContact O-N 3.41Å; L197-K199 VanDerWaalsContact C-N 3.3Å; L197-K199 PolarHBondContact O-N 2.87Å; L197-E200 CarbonylContact O-C 3.53Å; L197-E200 PolarHBondContact O-N 3.38Å; L197-E200 VanDerWaalsContact O-N 3.1Å; L197-G201 PolarHBondContact O-N 2.91Å; L197-V202 CarbonylContact C-O 3.53Å; L197-V202 HydrophobicContact CB-CB 4.33Å; L197-V202 PolarHBondContact O-N 2.97Å; L197-L204 HydrophobicContact CD1-CD1 4.35Å; L197-V213 HydrophobicContact CD1-CG1 4.32Å; L197-V213 HydrophobicContact CD1-CG2 4.29Å; L197-I216 HydrophobicContact CD1-CD1 4.37Å; L197-V243 HydrophobicContact CD2-CG1 4.04Å; L197-L245 HydrophobicContact CD2-CD2 3.58Å
198L91.3Very high88.2Confident85 Ų8557.6 Ų57.645%0.44529%0.292SS..Hα-helixtrans-60.7-39.1175.1-179.263.5000112.1R194 L196 E200 G201 V202 D203R194-L198 WeakPolarHBondContact O-CB 3.39Å; R194-L198 PolarHBondContact O-N 2.87Å; L196-L198 VanDerWaalsContact C-N 3.32Å; L196-L198 PolarHBondContact O-N 3.09Å; L198-E200 VanDerWaalsContact C-N 3.27Å; L198-E200 PolarHBondContact O-N 2.61Å; L198-G201 PolarHBondContact O-N 3.42Å; L198-V202 VanDerWaalsContact CA-O 3.3Å; L198-V202 WeakPolarHBondContact CA-O 3.11Å; L198-V202 PolarHBondContact N-O 3.35Å; L198-D203 HydrophobicContact CD1-CB 3.82Å
199K88.9Confident87.6Confident170 Ų17059.4 Ų59.474%0.73930%0.3SS*.Hα-helixtrans-65.9-28.9175.8-71.5176.9-176.7-179.50113L195 L196 L197L195-K199 WeakPolarHBondContact O-CG 3.43Å; L195-K199 PolarHBondContact O-N 2.85Å; L196-K199 WeakPolarHBondContact O-CB 3.45Å; L196-K199 PolarHBondContact O-N 2.78Å; L197-K199 VanDerWaalsContact C-N 3.3Å; L197-K199 PolarHBondContact O-N 2.87Å
200E85.2Confident87.1Confident127 Ų12760.6 Ų60.659%0.59331%0.306SS*.THydrogen-bonded Turntrans-82.92.4173.2-58.7-63.3152.500112.5L196 L197 L198L196-E200 PolarHBondContact O-N 3.09Å; L197-E200 CarbonylContact O-C 3.53Å; L197-E200 PolarHBondContact O-N 3.38Å; L197-E200 VanDerWaalsContact O-N 3.1Å; L198-E200 VanDerWaalsContact C-N 3.27Å; L198-E200 PolarHBondContact O-N 2.61Å
201G85Confident86.4Confident68 Ų6862 Ų6270%0.70131%0.312SS*.THydrogen-bonded Turntrans95.68175.900000115.4L197 L198L197-G201 PolarHBondContact O-N 2.91Å; L198-G201 PolarHBondContact O-N 3.42Å
202V86.2Confident86Confident35 Ų3559 Ų5921%0.21230%0.302CS..  trans-101.7101.4179.2-175.70000110L197 L198 L204 V243L197-V202 CarbonylContact C-O 3.53Å; L197-V202 HydrophobicContact CB-CB 4.33Å; L197-V202 PolarHBondContact O-N 2.97Å; L198-V202 VanDerWaalsContact CA-O 3.3Å; L198-V202 WeakPolarHBondContact CA-O 3.11Å; L198-V202 PolarHBondContact N-O 3.35Å; V202-L204 HydrophobicContact CG1-CD1 4.14Å; V202-L204 HydrophobicContact CG1-CG 4.04Å; V202-V243 HydrophobicContact CG1-CG2 4.06Å; V202-V243 HydrophobicContact CG2-CG1 3.96Å; V202-V243 HydrophobicContact CG2-CG2 4.13Å
203D86.2Confident85.7Confident92 Ų9258 Ų5849%0.49230%0.297SS..  trans-87.7116.1178.3-176.330.8000112L198 H205L198-D203 HydrophobicContact CD1-CB 3.82Å; D203-H205 IonicContact OD1-ND1 3.75Å; D203-H205 IonicContact OD2-CE1 3.86Å; D203-H205 IonicContact OD2-ND1 3.04Å; D203-H205 PolarHBondContact OD2-ND1 3.09Å
204L85.1Confident85.2Confident13 Ų1358 Ų587%0.06830%0.297CS..  trans-129.871.6-179.4-69177.1000109.3R194 L197 V202 E209 L212 V213R194-L204 WeakPolarHBondContact CD-O 3.3Å; L197-L204 HydrophobicContact CD1-CD1 4.35Å; V202-L204 HydrophobicContact CG1-CD1 4.14Å; V202-L204 HydrophobicContact CG1-CG 4.04Å; L204-E209 WeakPolarHBondContact CA-OE2 3.48Å; L204-E209 HydrophobicContact CB-CB 3.96Å; L204-E209 HydrophobicContact CD2-CB 4.06Å; L204-E209 HydrophobicContact CD2-CG 4.07Å; L204-L212 HydrophobicContact CD2-CD2 4.31Å; L204-V213 HydrophobicContact CB-CG2 4.15Å; L204-V213 HydrophobicContact CD1-CG2 3.62Å
205H81Confident84.9Confident115 Ų11556 Ų5653%0.53229%0.291SS..  trans-86.8-22.6-170.459.2-92.2000114.6D203 E209D203-H205 IonicContact OD1-ND1 3.75Å; D203-H205 IonicContact OD2-CE1 3.86Å; D203-H205 IonicContact OD2-ND1 3.04Å; D203-H205 PolarHBondContact OD2-ND1 3.09Å; H205-E209 PolarHBondContact N-OE2 3.49Å
206R81Confident84.7Confident136 Ų13652 Ų5251%0.51327%0.27SS..SBendtrans-75.3155.7-173.2-59.4-179.9-179.3-128.10.2112.5S208 E209 F210R206-S208 VanDerWaalsContact C-N 3.28Å; R206-S208 PolarHBondContact O-N 3.24Å; R206-E209 HydrophobicContact CB-CB 4.21Å; R206-E209 HydrophobicContact CB-CG 3.96Å; R206-E209 WeakPolarHBondContact CB-OE2 3.3Å; R206-E209 WeakPolarHBondContact CG-OE2 3.31Å; R206-E209 PolarHBondContact N-OE2 3.37Å; R206-E209 WeakPolarHBondContact O-CB 3.34Å; R206-E209 PolarHBondContact O-N 2.88Å; R206-E209 VanDerWaalsContact O-N 3.09Å; R206-F210 PolarHBondContact O-N 3.11Å
207S73.7Confident84.7Confident57 Ų5750.9 Ų50.940%0.39926%0.264SS..Hα-helixtrans-59.1-39.4173.151.40000112.3E209 F210S207-E209 VanDerWaalsContact C-N 3.3Å; S207-E209 PolarHBondContact O-N 3.19Å; S207-F210 WeakPolarHBondContact O-CB 3.5Å; S207-F210 PolarHBondContact O-N 3.07Å
208S73.6Confident84.6Confident18 Ų1854.5 Ų54.513%0.12628%0.281CS..Hα-helixtrans-66.4-31.8175.458.80000113.1R206R206-S208 VanDerWaalsContact C-N 3.28Å; R206-S208 PolarHBondContact O-N 3.24Å
209E81.7Confident84.5Confident46 Ų4656 Ų5622%0.21528%0.281CS..Hα-helixtrans-77.9-24.7177.1-67.5166.3170.500111.3L204 H205 R206 S207 E211 L212 V213L204-E209 WeakPolarHBondContact CA-OE2 3.48Å; L204-E209 HydrophobicContact CB-CB 3.96Å; L204-E209 HydrophobicContact CD2-CB 4.06Å; L204-E209 HydrophobicContact CD2-CG 4.07Å; H205-E209 PolarHBondContact N-OE2 3.49Å; R206-E209 HydrophobicContact CB-CB 4.21Å; R206-E209 HydrophobicContact CB-CG 3.96Å; R206-E209 WeakPolarHBondContact CB-OE2 3.3Å; R206-E209 WeakPolarHBondContact CG-OE2 3.31Å; R206-E209 PolarHBondContact N-OE2 3.37Å; R206-E209 WeakPolarHBondContact O-CB 3.34Å; R206-E209 PolarHBondContact O-N 2.88Å; R206-E209 VanDerWaalsContact O-N 3.09Å; S207-E209 VanDerWaalsContact C-N 3.3Å; S207-E209 PolarHBondContact O-N 3.19Å; E209-E211 VanDerWaalsContact C-N 3.3Å; E209-E211 PolarHBondContact O-N 3.4Å; E209-L212 WeakPolarHBondContact O-CA 3.1Å; E209-L212 VanDerWaalsContact O-CB 3.29Å; E209-L212 WeakPolarHBondContact O-CB 3.38Å; E209-L212 PolarHBondContact O-N 3.44Å; E209-V213 WeakPolarHBondContact O-CG2 3.22Å; E209-V213 PolarHBondContact O-N 3.36Å
210F84.4Confident84.5Confident26 Ų2648.5 Ų48.511%0.11425%0.25CC..Hα-helixtrans-61.7-38.2172.1-169-101.3000112.1R187 T190 R191 R206 S207 L212 V213 K214R187-F210 HydrophobicContact CG-CZ 4.29Å; T190-F210 HydrophobicContact CG2-CD1 4.27Å; T190-F210 HydrophobicContact CG2-CD2 4.16Å; T190-F210 HydrophobicContact CG2-CE1 3.79Å; T190-F210 HydrophobicContact CG2-CE2 3.67Å; T190-F210 HydrophobicContact CG2-CG 4.45Å; T190-F210 HydrophobicContact CG2-CZ 3.46Å; T190-F210 VanDerWaalsContact CG2-CZ 3.46Å; R191-F210 HydrophobicContact CB-CE2 4.48Å; R206-F210 PolarHBondContact O-N 3.11Å; S207-F210 WeakPolarHBondContact O-CB 3.5Å; S207-F210 PolarHBondContact O-N 3.07Å; F210-L212 VanDerWaalsContact C-N 3.28Å; F210-L212 PolarHBondContact O-N 3.4Å; F210-V213 WeakPolarHBondContact O-CB 3.12Å; F210-V213 PolarHBondContact O-N 3.45Å; F210-K214 PolarHBondContact O-N 3.08Å
211E79.4Confident84.9Confident28 Ų2842.9 Ų42.913%0.13123%0.225CC..Hα-helixtrans-64.5-32.8172.2-66.2-55.6134.800112.2I70 Y72 E209 K214 M215I70-E211 HydrophobicContact CD1-CG 4.45Å; Y72-E211 PolarHBondContact OH-OE1 2.82Å; E209-E211 VanDerWaalsContact C-N 3.3Å; E209-E211 PolarHBondContact O-N 3.4Å; E211-K214 WeakPolarHBondContact O-CB 3.39Å; E211-K214 PolarHBondContact O-N 3.1Å; E211-K214 IonicContact OE2-NZ 3.35Å; E211-M215 WeakPolarHBondContact O-CG 3.26Å; E211-M215 PolarHBondContact O-N 3.26Å
212L83.2Confident85.2Confident18 Ų1840.6 Ų40.69%0.09420%0.195CC..Hα-helixtrans-66.2-43.4172.2175.662.3000111.6L204 E209 F210 K214 M215 I216 L237 P238L204-L212 HydrophobicContact CD2-CD2 4.31Å; E209-L212 WeakPolarHBondContact O-CA 3.1Å; E209-L212 VanDerWaalsContact O-CB 3.29Å; E209-L212 WeakPolarHBondContact O-CB 3.38Å; E209-L212 PolarHBondContact O-N 3.44Å; F210-L212 VanDerWaalsContact C-N 3.28Å; F210-L212 PolarHBondContact O-N 3.4Å; L212-K214 PolarHBondContact O-N 3.14Å; L212-M215 HydrophobicContact CB-CE 4.19Å; L212-M215 HydrophobicContact CD1-CE 3.72Å; L212-M215 PolarHBondContact O-N 3.15Å; L212-I216 HydrophobicContact CG-CD1 4.43Å; L212-I216 WeakPolarHBondContact O-CG1 3.43Å; L212-I216 PolarHBondContact O-N 3.16Å; L212-L237 HydrophobicContact CD1-CD2 4.02Å; L212-L237 HydrophobicContact CD2-CD1 4.43Å; L212-L237 HydrophobicContact CD2-CD2 3.76Å; L212-L237 HydrophobicContact CG-CD2 4.13Å; L212-P238 HydrophobicContact CD1-CG 4.03Å
213V89.3Confident85.5Confident0 Ų039.1 Ų39.10%019%0.187CC..Hα-helixtrans-59.6-37173.6-179.40000111T190 L193 R194 L197 L204 E209 F210 I216 K217T190-V213 HydrophobicContact CG2-CB 4.08Å; T190-V213 HydrophobicContact CG2-CG1 3.85Å; T190-V213 WeakPolarHBondContact O-CG1 3.28Å; L193-V213 HydrophobicContact CB-CG1 3.91Å; L193-V213 HydrophobicContact CD2-CG1 3.78Å; L193-V213 HydrophobicContact CG-CG1 3.8Å; R194-V213 HydrophobicContact CB-CG1 4.13Å; R194-V213 HydrophobicContact CB-CG2 4.19Å; R194-V213 HydrophobicContact CG-CG2 4.36Å; L197-V213 HydrophobicContact CD1-CG1 4.32Å; L197-V213 HydrophobicContact CD1-CG2 4.29Å; L204-V213 HydrophobicContact CB-CG2 4.15Å; L204-V213 HydrophobicContact CD1-CG2 3.62Å; E209-V213 WeakPolarHBondContact O-CG2 3.22Å; E209-V213 PolarHBondContact O-N 3.36Å; F210-V213 WeakPolarHBondContact O-CB 3.12Å; F210-V213 PolarHBondContact O-N 3.45Å; V213-I216 PolarHBondContact O-N 3.4Å; V213-K217 WeakPolarHBondContact O-CB 3.36Å; V213-K217 PolarHBondContact O-N 3.37Å
214K85.3Confident85.4Confident1 Ų136.1 Ų36.10%0.00417%0.173CC..Hα-helixtrans-66.1-42.7176.1-171.2173.3176.2-160.80112.6T12 D14 T190 F210 E211 L212 I216 K217 E218T12-K214 HydrophobicContact CG2-CD 4.26Å; T12-K214 PolarHBondContact OG1-NZ 3.25Å; D14-K214 IonicContact OD2-NZ 2.77Å; T190-K214 HydrophobicContact CG2-CB 3.93Å; F210-K214 PolarHBondContact O-N 3.08Å; E211-K214 WeakPolarHBondContact O-CB 3.39Å; E211-K214 PolarHBondContact O-N 3.1Å; E211-K214 IonicContact OE2-NZ 3.35Å; L212-K214 PolarHBondContact O-N 3.14Å; K214-I216 VanDerWaalsContact C-N 3.31Å; K214-I216 PolarHBondContact O-N 3.19Å; K214-K217 VanDerWaalsContact O-CB 3.31Å; K214-K217 WeakPolarHBondContact O-CB 3.49Å; K214-K217 PolarHBondContact O-N 3.18Å; K214-E218 WeakPolarHBondContact CE-OE1 3.23Å; K214-E218 WeakPolarHBondContact CG-OE1 3.34Å; K214-E218 WeakPolarHBondContact O-CG 3.48Å; K214-E218 PolarHBondContact O-N 2.83Å
215M85.9Confident85.2Confident28 Ų2839.8 Ų39.814%0.13820%0.196CC..Hα-helixtrans-61.5-40.1172.4-69.7-174.4-6800111.8T12 E211 L212 E218 R219T12-M215 HydrophobicContact CG2-CG 4.45Å; E211-M215 WeakPolarHBondContact O-CG 3.26Å; E211-M215 PolarHBondContact O-N 3.26Å; L212-M215 HydrophobicContact CB-CE 4.19Å; L212-M215 HydrophobicContact CD1-CE 3.72Å; L212-M215 PolarHBondContact O-N 3.15Å; M215-E218 PolarHBondContact O-N 3.32Å; M215-R219 WeakPolarHBondContact O-CB 3.01Å; M215-R219 WeakPolarHBondContact O-CG 3.12Å; M215-R219 PolarHBondContact O-N 2.93Å
216I89.5Confident85Confident1 Ų138.9 Ų38.91%0.00520%0.195CC..Hα-helixtrans-62-45.6174.1-65.8168.8000110.3L193 L197 L212 V213 K214 E218 R219 A220 Y235 L237 L245L193-I216 HydrophobicContact CD2-CB 4.42Å; L193-I216 HydrophobicContact CD2-CG2 4.14Å; L197-I216 HydrophobicContact CD1-CD1 4.37Å; L212-I216 HydrophobicContact CG-CD1 4.43Å; L212-I216 WeakPolarHBondContact O-CG1 3.43Å; L212-I216 PolarHBondContact O-N 3.16Å; V213-I216 PolarHBondContact O-N 3.4Å; K214-I216 VanDerWaalsContact C-N 3.31Å; K214-I216 PolarHBondContact O-N 3.19Å; I216-E218 PolarHBondContact O-N 3.47Å; I216-R219 PolarHBondContact O-N 3.46Å; I216-A220 HydrophobicContact CG2-CB 4.4Å; I216-A220 WeakPolarHBondContact O-CA 3.5Å; I216-A220 VanDerWaalsContact O-CB 3.28Å; I216-A220 WeakPolarHBondContact O-CB 3.45Å; I216-A220 PolarHBondContact O-N 3.03Å; I216-Y235 HydrophobicContact CD1-CD1 4.27Å; I216-Y235 HydrophobicContact CD1-CE1 4.24Å; I216-Y235 HydrophobicContact CG1-CD1 3.93Å; I216-Y235 HydrophobicContact CG1-CE1 3.62Å; I216-Y235 HydrophobicContact CG1-CE2 4.3Å; I216-Y235 HydrophobicContact CG1-CG 4.4Å; I216-L237 HydrophobicContact CD1-CD2 4.08Å; I216-L245 HydrophobicContact CG2-CD1 3.55Å; I216-L245 HydrophobicContact CG2-CD2 3.96Å; I216-L245 HydrophobicContact CG2-CG 4.43Å
217K92.3Very high84.2Confident4 Ų435.9 Ų35.92%0.01719%0.193CC..Hα-helixtrans-54.2-54.2176.1173-165.374.81750110.6D161 G186 V189 T190 L193 V213 K214 R219 C221 F301D161-K217 IonicContact OD1-NZ 2.74Å; G186-K217 PolarHBondContact O-NZ 2.93Å; V189-K217 HydrophobicContact CB-CD 3.97Å; V189-K217 HydrophobicContact CG1-CD 3.7Å; V189-K217 HydrophobicContact CG1-CG 3.85Å; T190-K217 WeakPolarHBondContact OG1-CD 3.34Å; T190-K217 WeakPolarHBondContact OG1-CE 3.44Å; T190-K217 PolarHBondContact OG1-NZ 3.2Å; L193-K217 HydrophobicContact CD2-CB 3.76Å; V213-K217 WeakPolarHBondContact O-CB 3.36Å; V213-K217 PolarHBondContact O-N 3.37Å; K214-K217 VanDerWaalsContact O-CB 3.31Å; K214-K217 WeakPolarHBondContact O-CB 3.49Å; K214-K217 PolarHBondContact O-N 3.18Å; K217-R219 VanDerWaalsContact C-N 3.35Å; K217-R219 PolarHBondContact O-N 2.91Å; K217-C221 HydrophobicContact CG-CB 4.49Å; K217-C221 WeakPolarHBondContact O-CB 3.42Å; K217-C221 PolarHBondContact O-N 3.5Å; K217-F301 HydrophobicContact CD-CZ 3.88Å; K217-F301 HydrophobicContact CG-CE1 3.73Å; K217-F301 HydrophobicContact CG-CZ 3.56Å
218E89Confident83.7Confident76 Ų7641.7 Ų41.736%0.35521%0.214SC..Hα-helixtrans-68-34-173-67.6174.7-162.800112.6D13 K214 M215 I216D13-E218 PolarHBondContact N-OE1 3.39Å; K214-E218 WeakPolarHBondContact CE-OE1 3.23Å; K214-E218 WeakPolarHBondContact CG-OE1 3.34Å; K214-E218 WeakPolarHBondContact O-CG 3.48Å; K214-E218 PolarHBondContact O-N 2.83Å; M215-E218 PolarHBondContact O-N 3.32Å; I216-E218 PolarHBondContact O-N 3.47Å
219R88.3Confident82.9Confident118 Ų11851.3 Ų51.345%0.44525%0.247SC..Hα-helixtrans-88-31.2-179.2-64.6-173.3-172.5171.38.4114.7D9 D10 M215 I216 K217D9-R219 PolarHBondContact O-NE 3.1Å; D9-R219 VanDerWaalsContact O-NE 3.09Å; D9-R219 PolarHBondContact O-NH2 2.75Å; D10-R219 IonicContact OD1-CZ 3.97Å; D10-R219 IonicContact OD1-NH2 2.7Å; D10-R219 PolarHBondContact OD1-NH2 3.18Å; M215-R219 WeakPolarHBondContact O-CB 3.01Å; M215-R219 WeakPolarHBondContact O-CG 3.12Å; M215-R219 PolarHBondContact O-N 2.93Å; I216-R219 PolarHBondContact O-N 3.46Å; K217-R219 VanDerWaalsContact C-N 3.35Å; K217-R219 PolarHBondContact O-N 2.91Å
220A89.4Confident82Confident11 Ų1152.5 Ų52.59%0.09126%0.255CS..Hα-helixtrans-119.7-22.2-167.300000114.9I216 L245 R249I216-A220 HydrophobicContact CG2-CB 4.4Å; I216-A220 WeakPolarHBondContact O-CA 3.5Å; I216-A220 VanDerWaalsContact O-CB 3.28Å; I216-A220 WeakPolarHBondContact O-CB 3.45Å; I216-A220 PolarHBondContact O-N 3.03Å; A220-L245 HydrophobicContact CB-CD1 3.63Å; A220-R249 PolarHBondContact O-NE 3.24Å; A220-R249 PolarHBondContact O-NH2 3.36Å
221C92.6Very high81.1Confident10 Ų1059.2 Ų59.27%0.06829%0.287CS..  trans-81.5150.9-179.6-71.70000112.3K217 R249 P253 F301K217-C221 HydrophobicContact CG-CB 4.49Å; K217-C221 WeakPolarHBondContact O-CB 3.42Å; K217-C221 PolarHBondContact O-N 3.5Å; C221-R249 VanDerWaalsContact CA-O 3.23Å; C221-R249 WeakPolarHBondContact CA-O 3.39Å; C221-R249 WeakPolarHBondContact CB-O 3.37Å; C221-R249 PolarHBondContact SG-O 3.35Å; C221-R249 VanDerWaalsContact SG-O 3.33Å; C221-P253 HydrophobicContact CB-CG 3.65Å; C221-F301 HydrophobicContact CB-CD1 4.12Å; C221-F301 HydrophobicContact CB-CE1 3.72Å
222F93.1Very high80.8Confident19 Ų1961.6 Ų61.68%0.08331%0.307CS..BIsolated β-bridgetrans-152.5161.6178.959.3-82.6000109D230 R249 F250 Q302F222-D230 VanDerWaalsContact CE2-OD2 3.28Å; F222-D230 WeakPolarHBondContact CE2-OD2 3.19Å; F222-D230 HydrophobicContact CZ-CB 4.22Å; F222-D230 VanDerWaalsContact CZ-CG 3.46Å; F222-D230 WeakPolarHBondContact CZ-OD2 3.39Å; F222-R249 HydrophobicContact CD1-CB 4.19Å; F222-R249 HydrophobicContact CE1-CB 3.69Å; F222-R249 PolarHBondContact N-O 3.22Å; F222-R249 VanDerWaalsContact N-O 3.16Å; F222-F250 HydrophobicContact CD2-CB 4.32Å; F222-F250 HydrophobicContact CE2-CB 3.84Å; F222-F250 HydrophobicContact CE2-CD1 4.5Å; F222-F250 HydrophobicContact CZ-CB 3.96Å; F222-F250 HydrophobicContact CZ-CD1 4.07Å; F222-F250 HydrophobicContact CZ-CG 4.5Å; F222-F250 VanDerWaalsContact O-CA 3.28Å; F222-F250 WeakPolarHBondContact O-CA 3.39Å; F222-Q302 HydrophobicContact CB-CB 3.87Å
223T91.6Very high80.6Confident5 Ų563.7 Ų63.73%0.03132%0.32CS..  trans-101.9135.8173.155.10000108.8P253 F257 F301 Q302 G303 F304T223-P253 HydrophobicContact CG2-CB 3.66Å; T223-F257 HydrophobicContact CG2-CE2 3.91Å; T223-F301 HydrophobicContact CG2-CB 3.98Å; T223-F301 HydrophobicContact CG2-CG 4.47Å; T223-Q302 PolarHBondContact N-O 2.98Å; T223-Q302 VanDerWaalsContact O-O 3.05Å; T223-Q302 PolarHBondContact OG1-O 3.26Å; T223-G303 PolarHBondContact OG1-O 3.46Å; T223-F304 HydrophobicContact CG2-CD2 4.31Å; T223-F304 WeakPolarHBondContact OG1-CA 2.98Å; T223-F304 PolarHBondContact OG1-N 3.12Å
224S84.1Confident80.2Confident29 Ų2968.5 Ų68.520%0.20334%0.343CS..  trans-122.4151.2176.6-175.20000110.5N226 R307S224-N226 VanDerWaalsContact OG-C 3.31Å; S224-N226 PolarHBondContact OG-N 3.21Å; S224-N226 PolarHBondContact OG-O 3.42Å; S224-R307 PolarHBondContact O-NH1 3.42Å
225T81.1Confident80Confident90 Ų9069.9 Ų69.955%0.55235%0.348SS*.SBendtrans-86.9-21.3165.850.60000112R307T225-R307 HydrophobicContact CG2-CB 4.34Å
226N75.6Confident79.8Confident96 Ų9672.7 Ų72.751%0.51337%0.367SS..  trans-130104.4178-168.4-9000110.6S224 Q228S224-N226 VanDerWaalsContact OG-C 3.31Å; S224-N226 PolarHBondContact OG-N 3.21Å; S224-N226 PolarHBondContact OG-O 3.42Å; N226-Q228 VanDerWaalsContact C-N 3.26Å; N226-Q228 PolarHBondContact O-N 2.73Å; N226-Q228 PolarHBondContact OD1-N 3.32Å
227P65.1Low79.3Confident72 Ų7273.3 Ų73.347%0.46837%0.37SS..G310 helixtrans-75.1-6.6-171.828.2-34.3000114.8R229 F250P227-R229 VanDerWaalsContact C-N 3.3Å; P227-R229 PolarHBondContact O-N 2.93Å; P227-F250 HydrophobicContact CB-CD2 3.92Å; P227-F250 HydrophobicContact CB-CE2 3.37Å; P227-F250 HydrophobicContact CB-CZ 3.94Å; P227-F250 VanDerWaalsContact O-CZ 3.26Å; P227-F250 WeakPolarHBondContact O-CZ 3.49Å
228Q62.3Low78.4Confident179 Ų17977.5 Ų77.584%0.83640%0.398SS*.G310 helixtrans-77.2-6.8-170.2-66.8-158.1-9.400115.2N226N226-Q228 VanDerWaalsContact C-N 3.26Å; N226-Q228 PolarHBondContact O-N 2.73Å; N226-Q228 PolarHBondContact OD1-N 3.32Å
229R57.2Low77.9Confident220 Ų22079.8 Ų79.883%0.8341%0.412SS*.G310 helixtrans-99.4-0.7-157.9-137.3-173-176.5-171.9-0.2117.9P227P227-R229 VanDerWaalsContact C-N 3.3Å; P227-R229 PolarHBondContact O-N 2.93Å
230D62.5Low77.3Confident72 Ų7276.5 Ų76.539%0.38542%0.415SS..  trans-105.8132.1-159.3-67.5-56.9000116.9F222 F250F222-D230 VanDerWaalsContact CE2-OD2 3.28Å; F222-D230 WeakPolarHBondContact CE2-OD2 3.19Å; F222-D230 HydrophobicContact CZ-CB 4.22Å; F222-D230 VanDerWaalsContact CZ-CG 3.46Å; F222-D230 WeakPolarHBondContact CZ-OD2 3.39Å; D230-F250 HydrophobicContact CB-CE1 4.47Å
231E65.7Low76.8Confident166 Ų16678.3 Ų78.378%0.77643%0.427SS*.PPolyproline II helixtrans-71.3143170.7-63.1177.2174.300110.6V233E231-V233 PolarHBondContact O-N 3.42Å
232S73.4Confident76.3Confident78 Ų7884 Ų8455%0.54545%0.453SS..PPolyproline II helixtrans-65123.4170.653.80000110.1
233V80Confident75.8Confident63 Ų6383.5 Ų83.538%0.38245%0.451SS..EExtended strand (participates in β ladder)trans-102.2133.1176.4173.70000109.2E231 L245E231-V233 PolarHBondContact O-N 3.42Å; V233-L245 PolarHBondContact N-O 2.87Å; V233-L245 WeakPolarHBondContact O-CA 3.11Å; V233-L245 WeakPolarHBondContact O-CB 2.94Å; V233-L245 PolarHBondContact O-N 3.02Å
234Q80.3Confident75.4Confident101 Ų10186 Ų8647%0.47247%0.469SS..EExtended strand (participates in β ladder)trans-81.2128.2171.9-64.2-63.2-2300109.8
235Y80.9Confident75.4Confident30 Ų3084.6 Ų84.612%0.11846%0.459CS..EExtended strand (participates in β ladder)trans-112.1130.9173.7-175.2-85.4000109.5I216 L237 Q242 V243 L245I216-Y235 HydrophobicContact CD1-CD1 4.27Å; I216-Y235 HydrophobicContact CD1-CE1 4.24Å; I216-Y235 HydrophobicContact CG1-CD1 3.93Å; I216-Y235 HydrophobicContact CG1-CE1 3.62Å; I216-Y235 HydrophobicContact CG1-CE2 4.3Å; I216-Y235 HydrophobicContact CG1-CG 4.4Å; Y235-L237 HydrophobicContact CD1-CD2 3.89Å; Y235-L237 HydrophobicContact CE1-CD2 3.94Å; Y235-Q242 WeakPolarHBondContact O-CA 3.41Å; Y235-V243 PolarHBondContact N-O 3.25Å; Y235-V243 PolarHBondContact O-N 2.54Å; Y235-L245 HydrophobicContact CD2-CD1 4.25Å; Y235-L245 HydrophobicContact CG-CD1 4.09Å
236V81.5Confident75.5Confident86 Ų8681 Ų8152%0.52144%0.44SS..EExtended strand (participates in β ladder)trans-92.5119.6179.2-173.10000109Q242V236-Q242 HydrophobicContact CG2-CG 4.28Å
237L78.5Confident76.1Confident15 Ų1578.9 Ų78.98%0.07943%0.431CS..  trans-72.7159174.4-64.3-172.2000111L212 I216 Y235 D239 G240 S241 V243L212-L237 HydrophobicContact CD1-CD2 4.02Å; L212-L237 HydrophobicContact CD2-CD1 4.43Å; L212-L237 HydrophobicContact CD2-CD2 3.76Å; L212-L237 HydrophobicContact CG-CD2 4.13Å; I216-L237 HydrophobicContact CD1-CD2 4.08Å; Y235-L237 HydrophobicContact CD1-CD2 3.89Å; Y235-L237 HydrophobicContact CE1-CD2 3.94Å; L237-D239 VanDerWaalsContact CB-OD1 3.25Å; L237-D239 WeakPolarHBondContact CB-OD1 3.46Å; L237-D239 PolarHBondContact O-N 3.27Å; L237-D239 VanDerWaalsContact O-N 3.1Å; L237-G240 WeakPolarHBondContact O-CA 2.86Å; L237-G240 PolarHBondContact O-N 3.13Å; L237-S241 WeakPolarHBondContact CB-O 3.2Å; L237-S241 WeakPolarHBondContact CB-OG 3.31Å; L237-S241 VanDerWaalsContact CD1-OG 3.28Å; L237-S241 WeakPolarHBondContact CD1-OG 3.47Å; L237-S241 PolarHBondContact N-O 3.27Å; L237-V243 HydrophobicContact CD1-CG2 3.59Å; L237-V243 HydrophobicContact CD2-CG2 4.13Å; L237-V243 HydrophobicContact CG-CG2 3.79Å
238P74.5Confident77.3Confident92 Ų9275.7 Ų75.760%0.59741%0.411SS*.THydrogen-bonded Turntrans-59.4-21.5-179.5-26.635.3000115.4L212 G240L212-P238 HydrophobicContact CD1-CG 4.03Å; P238-G240 VanDerWaalsContact C-N 3.28Å
239D77.2Confident78.7Confident123 Ų12369.1 Ų69.166%0.65838%0.378SS*.THydrogen-bonded Turntrans-83.6-2.6174.666.2-5.5000113.2L237 S241L237-D239 VanDerWaalsContact CB-OD1 3.25Å; L237-D239 WeakPolarHBondContact CB-OD1 3.46Å; L237-D239 PolarHBondContact O-N 3.27Å; L237-D239 VanDerWaalsContact O-N 3.1Å; D239-S241 VanDerWaalsContact OD1-CB 3.32Å; D239-S241 WeakPolarHBondContact OD1-CB 3.32Å; D239-S241 PolarHBondContact OD1-N 2.82Å; D239-S241 PolarHBondContact OD1-OG 3.46Å; D239-S241 PolarHBondContact OD2-OG 3.28Å
240G76.4Confident80.3Confident50 Ų5059.6 Ų59.652%0.51534%0.343SS..SBendtrans89.4-4.8-177.600000114.6L237 P238L237-G240 WeakPolarHBondContact O-CA 2.86Å; L237-G240 PolarHBondContact O-N 3.13Å; P238-G240 VanDerWaalsContact C-N 3.28Å
241S80.3Confident81.7Confident48 Ų4862.6 Ų62.634%0.33635%0.349SS..  trans-70151.8175.266.70000111.3L237 D239L237-S241 WeakPolarHBondContact CB-O 3.2Å; L237-S241 WeakPolarHBondContact CB-OG 3.31Å; L237-S241 VanDerWaalsContact CD1-OG 3.28Å; L237-S241 WeakPolarHBondContact CD1-OG 3.47Å; L237-S241 PolarHBondContact N-O 3.27Å; D239-S241 VanDerWaalsContact OD1-CB 3.32Å; D239-S241 WeakPolarHBondContact OD1-CB 3.32Å; D239-S241 PolarHBondContact OD1-N 2.82Å; D239-S241 PolarHBondContact OD1-OG 3.46Å; D239-S241 PolarHBondContact OD2-OG 3.28Å
242Q80.5Confident83.1Confident131 Ų13154.7 Ų54.761%0.61231%0.312SS*.EExtended strand (participates in β ladder)trans-108.9133.4-178.5-63.7-170.2600111Y235 V236Y235-Q242 WeakPolarHBondContact O-CA 3.41Å; V236-Q242 HydrophobicContact CG2-CG 4.28Å
243V82.5Confident84.2Confident8 Ų851 Ų515%0.04829%0.286CS..EExtended strand (participates in β ladder)trans-115.2123.7175.6174.30000109L197 V202 Y235 L237 L245L197-V243 HydrophobicContact CD2-CG1 4.04Å; V202-V243 HydrophobicContact CG1-CG2 4.06Å; V202-V243 HydrophobicContact CG2-CG1 3.96Å; V202-V243 HydrophobicContact CG2-CG2 4.13Å; Y235-V243 PolarHBondContact N-O 3.25Å; Y235-V243 PolarHBondContact O-N 2.54Å; L237-V243 HydrophobicContact CD1-CG2 3.59Å; L237-V243 HydrophobicContact CD2-CG2 4.13Å; L237-V243 HydrophobicContact CG-CG2 3.79Å; V243-L245 HydrophobicContact CG1-CD2 3.82Å; V243-L245 HydrophobicContact CG1-CG 4.44Å; V243-L245 PolarHBondContact O-N 2.93Å
244S83.5Confident84.9Confident57 Ų5750 Ų5040%0.39928%0.277SS..EExtended strand (participates in β ladder)trans-79.6107.6175.2-177.30000110.2
245L85.3Confident85.7Confident0 Ų045.1 Ų45.10%026%0.255CS..EExtended strand (participates in β ladder)trans-92.8101.6176.8-58.3178.9000110L197 I216 A220 V233 Y235 V243 R249L197-L245 HydrophobicContact CD2-CD2 3.58Å; I216-L245 HydrophobicContact CG2-CD1 3.55Å; I216-L245 HydrophobicContact CG2-CD2 3.96Å; I216-L245 HydrophobicContact CG2-CG 4.43Å; A220-L245 HydrophobicContact CB-CD1 3.63Å; V233-L245 PolarHBondContact N-O 2.87Å; V233-L245 WeakPolarHBondContact O-CA 3.11Å; V233-L245 WeakPolarHBondContact O-CB 2.94Å; V233-L245 PolarHBondContact O-N 3.02Å; Y235-L245 HydrophobicContact CD2-CD1 4.25Å; Y235-L245 HydrophobicContact CG-CD1 4.09Å; V243-L245 HydrophobicContact CG1-CD2 3.82Å; V243-L245 HydrophobicContact CG1-CG 4.44Å; V243-L245 PolarHBondContact O-N 2.93Å; L245-R249 HydrophobicContact CB-CG 3.79Å; L245-R249 WeakPolarHBondContact O-CD 3.36Å
246G83.3Confident86.4Confident15 Ų1543.8 Ų43.816%0.15525%0.249CC..  trans-98.2-124.2175.700000112.5C248 R249G246-C248 PolarHBondContact O-N 3.14Å; G246-C248 VanDerWaalsContact O-N 3.08Å; G246-R249 PolarHBondContact O-N 3.22Å
247P87.7Confident87.2Confident50 Ų5039.7 Ų39.733%0.32522%0.224SC..THydrogen-bonded Turntrans-61.8-17.8-176.7-25.234.9000115.8R249 F250 R251P247-R249 PolarHBondContact O-N 3.39Å; P247-R249 VanDerWaalsContact O-N 3.17Å; P247-F250 HydrophobicContact CB-CE1 3.93Å; P247-F250 HydrophobicContact CB-CZ 3.79Å; P247-F250 PolarHBondContact O-N 3.42Å; P247-R251 HydrophobicContact CB-CG 4.46Å; P247-R251 VanDerWaalsContact O-CB 3.32Å; P247-R251 WeakPolarHBondContact O-CB 3.38Å; P247-R251 VanDerWaalsContact O-CG 3.24Å; P247-R251 WeakPolarHBondContact O-CG 3.35Å; P247-R251 PolarHBondContact O-N 2.67Å
248C89.8Confident88Confident6 Ų642 Ų424%0.04124%0.235CC..Hα-helixtrans-58.4-28.2179.260.80000112.9L193 L196 G246 F250 A252L193-C248 HydrophobicContact CD1-CB 3.99Å; L196-C248 HydrophobicContact CB-CB 3.82Å; L196-C248 HydrophobicContact CD1-CB 4.11Å; G246-C248 PolarHBondContact O-N 3.14Å; G246-C248 VanDerWaalsContact O-N 3.08Å; C248-F250 VanDerWaalsContact C-N 3.35Å; C248-F250 PolarHBondContact O-N 2.54Å; C248-A252 WeakPolarHBondContact O-CB 3.36Å; C248-A252 PolarHBondContact O-N 2.99Å
249R91.2Very high89.1Confident40 Ų4037.8 Ų37.815%0.15121%0.207CC..Hα-helixtrans-61-39-178.3-65.8171.562.4-151.1-1.1113.4A220 C221 F222 L245 G246 P247 P253A220-R249 PolarHBondContact O-NE 3.24Å; A220-R249 PolarHBondContact O-NH2 3.36Å; C221-R249 VanDerWaalsContact CA-O 3.23Å; C221-R249 WeakPolarHBondContact CA-O 3.39Å; C221-R249 WeakPolarHBondContact CB-O 3.37Å; C221-R249 PolarHBondContact SG-O 3.35Å; C221-R249 VanDerWaalsContact SG-O 3.33Å; F222-R249 HydrophobicContact CD1-CB 4.19Å; F222-R249 HydrophobicContact CE1-CB 3.69Å; F222-R249 PolarHBondContact N-O 3.22Å; F222-R249 VanDerWaalsContact N-O 3.16Å; L245-R249 HydrophobicContact CB-CG 3.79Å; L245-R249 WeakPolarHBondContact O-CD 3.36Å; G246-R249 PolarHBondContact O-N 3.22Å; P247-R249 PolarHBondContact O-N 3.39Å; P247-R249 VanDerWaalsContact O-N 3.17Å; R249-P253 WeakPolarHBondContact O-CD 3.37Å
250F91.2Very high90Very high20 Ų2036.7 Ų36.79%0.08820%0.202CC..Hα-helixtrans-102.3-23.9177.566.1-99.8000113.5F222 P227 D230 P247 C248F222-F250 HydrophobicContact CD2-CB 4.32Å; F222-F250 HydrophobicContact CE2-CB 3.84Å; F222-F250 HydrophobicContact CE2-CD1 4.5Å; F222-F250 HydrophobicContact CZ-CB 3.96Å; F222-F250 HydrophobicContact CZ-CD1 4.07Å; F222-F250 HydrophobicContact CZ-CG 4.5Å; F222-F250 VanDerWaalsContact O-CA 3.28Å; F222-F250 WeakPolarHBondContact O-CA 3.39Å; P227-F250 HydrophobicContact CB-CD2 3.92Å; P227-F250 HydrophobicContact CB-CE2 3.37Å; P227-F250 HydrophobicContact CB-CZ 3.94Å; P227-F250 VanDerWaalsContact O-CZ 3.26Å; P227-F250 WeakPolarHBondContact O-CZ 3.49Å; D230-F250 HydrophobicContact CB-CE1 4.47Å; P247-F250 HydrophobicContact CB-CE1 3.93Å; P247-F250 HydrophobicContact CB-CZ 3.79Å; P247-F250 PolarHBondContact O-N 3.42Å; C248-F250 VanDerWaalsContact C-N 3.35Å; C248-F250 PolarHBondContact O-N 2.54Å
251R92.5Very high90.8Very high135 Ų13538.7 Ų38.751%0.50920%0.2SC..Hα-helixtrans-71.4-32176-73178.2177.3176.5-1.4113.2L196 P247 E254L196-R251 HydrophobicContact CD1-CB 3.81Å; P247-R251 HydrophobicContact CB-CG 4.46Å; P247-R251 VanDerWaalsContact O-CB 3.32Å; P247-R251 WeakPolarHBondContact O-CB 3.38Å; P247-R251 VanDerWaalsContact O-CG 3.24Å; P247-R251 WeakPolarHBondContact O-CG 3.35Å; P247-R251 PolarHBondContact O-N 2.67Å; R251-E254 VanDerWaalsContact O-CB 3.24Å; R251-E254 WeakPolarHBondContact O-CB 3.1Å
252A94.6Very high91.4Very high0 Ų038.6 Ų38.60%020%0.195CC..THydrogen-bonded Turntrans-70.8-49.1-179.600000112.7V189 L193 L196 C248 E254 V255V189-A252 HydrophobicContact CG1-CB 4.15Å; L193-A252 HydrophobicContact CB-CB 3.72Å; L193-A252 HydrophobicContact CD1-CB 4.04Å; L193-A252 HydrophobicContact CG-CB 4.43Å; L196-A252 HydrophobicContact CD1-CB 4.22Å; C248-A252 WeakPolarHBondContact O-CB 3.36Å; C248-A252 PolarHBondContact O-N 2.99Å; A252-E254 PolarHBondContact O-N 2.89Å; A252-E254 VanDerWaalsContact O-N 3.16Å; A252-V255 VanDerWaalsContact O-CG1 3.28Å; A252-V255 WeakPolarHBondContact O-CG1 3.44Å; A252-V255 PolarHBondContact O-N 3.29Å
253P95.9Very high92Very high0 Ų035.4 Ų35.40%020%0.197CC..G310 helixtrans-64.2-17.2176.3-25.137000114.2V189 C221 T223 R249 V255 L256 F301V189-P253 HydrophobicContact CG1-CB 4.43Å; V189-P253 HydrophobicContact CG1-CG 4.13Å; C221-P253 HydrophobicContact CB-CG 3.65Å; T223-P253 HydrophobicContact CG2-CB 3.66Å; R249-P253 WeakPolarHBondContact O-CD 3.37Å; P253-V255 PolarHBondContact O-N 3.43Å; P253-V255 VanDerWaalsContact O-N 3.13Å; P253-L256 WeakPolarHBondContact O-CB 3.45Å; P253-L256 WeakPolarHBondContact O-CG 3.37Å; P253-L256 PolarHBondContact O-N 3.03Å; P253-F301 HydrophobicContact CB-CD2 4.12Å; P253-F301 HydrophobicContact CB-CE2 4.21Å; P253-F301 HydrophobicContact CB-CG 4.35Å; P253-F301 HydrophobicContact CB-CZ 4.48Å; P253-F301 HydrophobicContact CG-CD1 4.19Å; P253-F301 HydrophobicContact CG-CE1 4.08Å; P253-F301 HydrophobicContact CG-CE2 4.43Å; P253-F301 HydrophobicContact CG-CG 4.43Å; P253-F301 HydrophobicContact CG-CZ 4.21Å
254E95.3Very high92.6Very high42 Ų4239 Ų3920%0.19621%0.214CC..G310 helixtrans-55.9-28.7177.9-165.362.6-169.800113R251 A252 L256 F257 H258 L261 R307R251-E254 VanDerWaalsContact O-CB 3.24Å; R251-E254 WeakPolarHBondContact O-CB 3.1Å; A252-E254 PolarHBondContact O-N 2.89Å; A252-E254 VanDerWaalsContact O-N 3.16Å; E254-L256 PolarHBondContact O-N 3.45Å; E254-L256 VanDerWaalsContact O-N 3.13Å; E254-F257 CarbonylContact O-C 3.38Å; E254-F257 WeakPolarHBondContact O-CA 3.07Å; E254-F257 PolarHBondContact O-N 2.81Å; E254-H258 PolarHBondContact O-N 3.08Å; E254-H258 IonicContact OE1-CD2 3.21Å; E254-H258 PolarHBondContact OE1-CD2 3.25Å; E254-H258 IonicContact OE1-NE2 3.9Å; E254-L261 HydrophobicContact CB-CD1 3.82Å; E254-L261 HydrophobicContact CG-CD1 3.61Å; E254-R307 IonicContact OE1-CZ 3.6Å; E254-R307 VanDerWaalsContact OE1-CZ 3.29Å; E254-R307 IonicContact OE1-NH1 3.06Å; E254-R307 PolarHBondContact OE1-NH1 2.88Å; E254-R307 IonicContact OE1-NH2 3.29Å; E254-R307 PolarHBondContact OE1-NH2 3.17Å; E254-R307 IonicContact OE2-CZ 3.79Å; E254-R307 IonicContact OE2-NH1 2.66Å; E254-R307 PolarHBondContact OE2-NH1 2.89Å; E254-R307 IonicContact OE2-NH2 3.37Å
255V96.2Very high93.1Very high0 Ų045.8 Ų45.80%024%0.239CC..G310 helixtrans-58.4-25.6176.874.30000113.2D188 V189 L192 A252 P253 F257 H258 I262D188-V255 HydrophobicContact CB-CG1 4.36Å; V189-V255 HydrophobicContact CB-CG1 4.32Å; V189-V255 HydrophobicContact CG2-CG1 3.62Å; L192-V255 HydrophobicContact CD2-CB 3.92Å; L192-V255 HydrophobicContact CD2-CG1 4.48Å; L192-V255 HydrophobicContact CD2-CG2 4.5Å; A252-V255 VanDerWaalsContact O-CG1 3.28Å; A252-V255 WeakPolarHBondContact O-CG1 3.44Å; A252-V255 PolarHBondContact O-N 3.29Å; P253-V255 PolarHBondContact O-N 3.43Å; P253-V255 VanDerWaalsContact O-N 3.13Å; V255-F257 PolarHBondContact O-N 2.9Å; V255-H258 CarbonylContact O-C 3.54Å; V255-I262 HydrophobicContact CG2-CB 4.33Å; V255-I262 HydrophobicContact CG2-CD1 3.82Å; V255-I262 HydrophobicContact CG2-CG1 3.67Å; V255-I262 HydrophobicContact CG2-CG2 3.77Å
256L97.4Very high93.5Very high1 Ų149.9 Ų49.91%0.00526%0.255CS..G310 helixtrans-67.8-23.5175-61.1179.9000112.1I184 V189 P253 E254 A269 F301 F304I184-L256 HydrophobicContact CG2-CD2 4.06Å; V189-L256 HydrophobicContact CG2-CD1 4.06Å; V189-L256 HydrophobicContact CG2-CD2 3.74Å; V189-L256 HydrophobicContact CG2-CG 3.67Å; P253-L256 WeakPolarHBondContact O-CB 3.45Å; P253-L256 WeakPolarHBondContact O-CG 3.37Å; P253-L256 PolarHBondContact O-N 3.03Å; E254-L256 PolarHBondContact O-N 3.45Å; E254-L256 VanDerWaalsContact O-N 3.13Å; L256-A269 WeakPolarHBondContact O-CB 3.4Å; L256-A269 PolarHBondContact O-N 3.01Å; L256-F301 HydrophobicContact CD1-CD2 3.95Å; L256-F301 HydrophobicContact CD1-CE2 3.88Å; L256-F304 HydrophobicContact CD1-CD2 4.49Å; L256-F304 HydrophobicContact CD1-CE2 4.01Å
257F97.3Very high94.1Very high0 Ų050.2 Ų50.20%026%0.256CS..THydrogen-bonded Turntrans-103.1-32.6176.7-61.5-88.4000111.6T223 E254 V255 G268 H270 F304 R307 L308 E311T223-F257 HydrophobicContact CG2-CE2 3.91Å; E254-F257 CarbonylContact O-C 3.38Å; E254-F257 WeakPolarHBondContact O-CA 3.07Å; E254-F257 PolarHBondContact O-N 2.81Å; V255-F257 PolarHBondContact O-N 2.9Å; F257-G268 WeakPolarHBondContact O-CA 3.4Å; F257-H270 HydrophobicContact CD1-CB 4.2Å; F257-H270 AromaticContact CD1-ND1 3.54Å; F257-H270 HydrophobicContact CE1-CB 4.46Å; F257-H270 PolarHBondContact O-CE1 3.45Å; F257-F304 HydrophobicContact CE2-CD2 4.13Å; F257-F304 HydrophobicContact CE2-CE2 4.08Å; F257-F304 AromaticContact CZ-CD2 3.95Å; F257-F304 HydrophobicContact CZ-CD2 3.95Å; F257-F304 AromaticContact CZ-CE2 3.8Å; F257-F304 HydrophobicContact CZ-CE2 3.8Å; F257-F304 HydrophobicContact CZ-CZ 4.29Å; F257-R307 HydrophobicContact CD1-CG 4.02Å; F257-R307 HydrophobicContact CD2-CG 4.04Å; F257-R307 HydrophobicContact CE1-CB 4.45Å; F257-R307 HydrophobicContact CE1-CG 3.65Å; F257-R307 HydrophobicContact CE2-CB 4.42Å; F257-R307 HydrophobicContact CE2-CG 3.66Å; F257-R307 HydrophobicContact CG-CG 4.23Å; F257-R307 HydrophobicContact CZ-CB 4.03Å; F257-R307 HydrophobicContact CZ-CG 3.46Å; F257-R307 VanDerWaalsContact CZ-CG 3.46Å; F257-L308 HydrophobicContact CE1-CB 4.23Å; F257-L308 HydrophobicContact CE1-CD1 4.27Å; F257-E311 HydrophobicContact CD1-CG 4.3Å
258H96.1Very high94.6Very high64 Ų6447.8 Ų47.830%0.29624%0.241SC..  trans-128.679.3-179.1-67.8-67.6000110.8E254 V255 D260 L261 R307E254-H258 PolarHBondContact O-N 3.08Å; E254-H258 IonicContact OE1-CD2 3.21Å; E254-H258 PolarHBondContact OE1-CD2 3.25Å; E254-H258 IonicContact OE1-NE2 3.9Å; V255-H258 CarbonylContact O-C 3.54Å; H258-D260 VanDerWaalsContact C-OD1 3.24Å; H258-D260 VanDerWaalsContact CA-OD1 3.28Å; H258-D260 WeakPolarHBondContact CA-OD1 3.31Å; H258-D260 VanDerWaalsContact CB-OD1 3.26Å; H258-D260 WeakPolarHBondContact CB-OD1 3.43Å; H258-D260 IonicContact CG-OD1 2.63Å; H258-D260 IonicContact ND1-OD1 3.77Å; H258-D260 PolarHBondContact O-N 3.17Å; H258-L261 HydrophobicContact CB-CD1 3.97Å; H258-L261 HydrophobicContact CB-CG 3.99Å; H258-L261 WeakPolarHBondContact O-CB 3.48Å; H258-L261 VanDerWaalsContact O-CG 3.27Å; H258-L261 WeakPolarHBondContact O-CG 3.41Å; H258-L261 PolarHBondContact O-N 2.88Å; H258-L261 VanDerWaalsContact O-N 3.17Å; H258-R307 PolarHBondContact NE2-NH2 3.47Å
259P96.8Very high95Very high3 Ų347.6 Ų47.62%0.01924%0.24CC..G310 helixtrans-60.5-21.8178-27.238.8000114I184 L261 I262 E264 Y266I184-P259 HydrophobicContact CD1-CB 3.99Å; I184-P259 HydrophobicContact CG1-CB 3.93Å; I184-P259 HydrophobicContact CG1-CG 3.96Å; I184-P259 HydrophobicContact CG2-CG 4.49Å; P259-L261 PolarHBondContact O-N 3.27Å; P259-L261 VanDerWaalsContact O-N 3.08Å; P259-I262 WeakPolarHBondContact O-CG1 3.48Å; P259-I262 PolarHBondContact O-N 2.96Å; P259-E264 CarbonylContact C-O 3.57Å; P259-E264 VanDerWaalsContact C-O 3.31Å; P259-E264 HydrophobicContact CB-CB 4.1Å; P259-E264 PolarHBondContact O-N 3.39Å; P259-Y266 VanDerWaalsContact CG-O 3.28Å; P259-Y266 WeakPolarHBondContact CG-O 3.15Å
260D95.7Very high95.3Very high101 Ų10146.1 Ų46.154%0.5423%0.234SC..G310 helixtrans-57.3-23.4174.858.8-71.6000113H258 I262 G263 E264H258-D260 VanDerWaalsContact C-OD1 3.24Å; H258-D260 VanDerWaalsContact CA-OD1 3.28Å; H258-D260 WeakPolarHBondContact CA-OD1 3.31Å; H258-D260 VanDerWaalsContact CB-OD1 3.26Å; H258-D260 WeakPolarHBondContact CB-OD1 3.43Å; H258-D260 IonicContact CG-OD1 2.63Å; H258-D260 IonicContact ND1-OD1 3.77Å; H258-D260 PolarHBondContact O-N 3.17Å; D260-I262 PolarHBondContact O-N 3.22Å; D260-G263 PolarHBondContact O-N 3.27Å; D260-E264 WeakPolarHBondContact CA-O 3.3Å; D260-E264 PolarHBondContact N-O 3.3Å
261L93.5Very high95.6Very high91 Ų9147.8 Ų47.848%0.47624%0.242SC..G310 helixtrans-61-24.2174.3-66.2176.5000113.9E254 H258 P259E254-L261 HydrophobicContact CB-CD1 3.82Å; E254-L261 HydrophobicContact CG-CD1 3.61Å; H258-L261 HydrophobicContact CB-CD1 3.97Å; H258-L261 HydrophobicContact CB-CG 3.99Å; H258-L261 WeakPolarHBondContact O-CB 3.48Å; H258-L261 VanDerWaalsContact O-CG 3.27Å; H258-L261 WeakPolarHBondContact O-CG 3.41Å; H258-L261 PolarHBondContact O-N 2.88Å; H258-L261 VanDerWaalsContact O-N 3.17Å; P259-L261 PolarHBondContact O-N 3.27Å; P259-L261 VanDerWaalsContact O-N 3.08Å
262I93.9Very high95.8Very high46 Ų4641.3 Ų41.324%0.23622%0.218CC..G310 helixtrans-107.810.8173.760.6163.6000112.4I184 D188 L192 V255 P259 D260 E264I184-I262 HydrophobicContact CD1-CD1 3.95Å; D188-I262 HydrophobicContact CB-CD1 4.1Å; L192-I262 HydrophobicContact CB-CG2 4.24Å; L192-I262 HydrophobicContact CD1-CG2 4.2Å; L192-I262 HydrophobicContact CD2-CG2 4.22Å; L192-I262 HydrophobicContact CG-CG2 4.45Å; V255-I262 HydrophobicContact CG2-CB 4.33Å; V255-I262 HydrophobicContact CG2-CD1 3.82Å; V255-I262 HydrophobicContact CG2-CG1 3.67Å; V255-I262 HydrophobicContact CG2-CG2 3.77Å; P259-I262 WeakPolarHBondContact O-CG1 3.48Å; P259-I262 PolarHBondContact O-N 2.96Å; D260-I262 PolarHBondContact O-N 3.22Å; I262-E264 VanDerWaalsContact C-N 3.33Å; I262-E264 HydrophobicContact CD1-CB 4.39Å; I262-E264 HydrophobicContact CD1-CG 3.67Å; I262-E264 HydrophobicContact CG1-CB 4.13Å; I262-E264 HydrophobicContact CG1-CG 3.77Å
263G93.3Very high96Very high64 Ų6441.3 Ų41.366%0.6622%0.218SC*.THydrogen-bonded Turntrans77.816-17900000114.3D260D260-G263 PolarHBondContact O-N 3.27Å
264E94.2Very high96.1Very high83 Ų8341.4 Ų41.439%0.38822%0.219SC..  trans-93.5138.7177-68.8-67.3163.100110.7I184 P259 D260 I262 Y266I184-E264 HydrophobicContact CD1-CB 4.14Å; I184-E264 HydrophobicContact CD1-CG 4.12Å; P259-E264 CarbonylContact C-O 3.57Å; P259-E264 VanDerWaalsContact C-O 3.31Å; P259-E264 HydrophobicContact CB-CB 4.1Å; P259-E264 PolarHBondContact O-N 3.39Å; D260-E264 WeakPolarHBondContact CA-O 3.3Å; D260-E264 PolarHBondContact N-O 3.3Å; I262-E264 VanDerWaalsContact C-N 3.33Å; I262-E264 HydrophobicContact CD1-CB 4.39Å; I262-E264 HydrophobicContact CD1-CG 3.67Å; I262-E264 HydrophobicContact CG1-CB 4.13Å; I262-E264 HydrophobicContact CG1-CG 3.77Å; E264-Y266 VanDerWaalsContact C-N 3.28Å; E264-Y266 HydrophobicContact CB-CD2 4.02Å; E264-Y266 HydrophobicContact CG-CD2 4.43Å; E264-Y266 PolarHBondContact O-N 2.95Å; E264-Y266 WeakPolarHBondContact OE2-CE2 3.47Å
265E94Very high96.2Very high200 Ų20043.7 Ų43.794%0.93523%0.226SC*.  trans-91.714.1-179.6-61.2-176.9169.300112.9
266Y94.4Very high96.3Very high87 Ų8743.7 Ų43.734%0.34123%0.226SC..PPolyproline II helixtrans-68.4149.4176.8-70.4-62.5000111.7T182 N183 I184 P259 E264T182-Y266 HydrophobicContact CG2-CD1 4.26Å; N183-Y266 HydrophobicContact CB-CE2 4.04Å; N183-Y266 PolarHBondContact ND2-OH 3.13Å; I184-Y266 HydrophobicContact CD1-CD2 3.94Å; I184-Y266 HydrophobicContact CG1-CD2 3.83Å; I184-Y266 HydrophobicContact CG1-CG 4.17Å; P259-Y266 VanDerWaalsContact CG-O 3.28Å; P259-Y266 WeakPolarHBondContact CG-O 3.15Å; E264-Y266 VanDerWaalsContact C-N 3.28Å; E264-Y266 HydrophobicContact CB-CD2 4.02Å; E264-Y266 HydrophobicContact CG-CD2 4.43Å; E264-Y266 PolarHBondContact O-N 2.95Å; E264-Y266 WeakPolarHBondContact OE2-CE2 3.47Å
267A96Very high96.3Very high21 Ų2143.7 Ų43.717%0.17423%0.226CC..PPolyproline II helixtrans-64.914316900000111T182 E271T182-A267 HydrophobicContact CG2-CB 4.35Å; T182-A267 WeakPolarHBondContact CG2-O 3.44Å; A267-E271 WeakPolarHBondContact CA-OE2 3.38Å; A267-E271 HydrophobicContact CB-CB 3.87Å
268G96.9Very high96.2Very high0 Ų049 Ų490%025%0.251CS..PPolyproline II helixtrans-64.4164.1170.600000112.1F257 H270 E271 C272F257-G268 WeakPolarHBondContact O-CA 3.4Å; G268-H270 PolarHBondContact O-N 3.38Å; G268-E271 PolarHBondContact N-OE2 2.82Å; G268-E271 PolarHBondContact O-N 3.46Å; G268-E271 VanDerWaalsContact O-N 3.11Å; G268-C272 VanDerWaalsContact O-CB 3.32Å; G268-C272 WeakPolarHBondContact O-CB 3.35Å; G268-C272 PolarHBondContact O-N 2.88Å
269A97.8Very high96.3Very high2 Ų251.4 Ų51.42%0.01726%0.261CS..Hα-helixtrans-56.3-36179.100000112.8L157 T164 L256 L273L157-A269 HydrophobicContact CD2-CB 4.41Å; T164-A269 HydrophobicContact CG2-CB 4.09Å; L256-A269 WeakPolarHBondContact O-CB 3.4Å; L256-A269 PolarHBondContact O-N 3.01Å; A269-L273 WeakPolarHBondContact O-CB 3.34Å; A269-L273 PolarHBondContact O-N 3.19Å; A269-L273 VanDerWaalsContact O-N 3.07Å
270H97.8Very high96.3Very high8 Ų851.3 Ų51.34%0.03726%0.26CS..Hα-helixtrans-69.6-40.4177.565.4-77.7000113.3F257 G268 A274 L308 E311 V312F257-H270 HydrophobicContact CD1-CB 4.2Å; F257-H270 AromaticContact CD1-ND1 3.54Å; F257-H270 HydrophobicContact CE1-CB 4.46Å; F257-H270 PolarHBondContact O-CE1 3.45Å; G268-H270 PolarHBondContact O-N 3.38Å; H270-A274 WeakPolarHBondContact O-CB 3.49Å; H270-A274 PolarHBondContact O-N 3.29Å; H270-L308 HydrophobicContact CB-CD1 3.79Å; H270-E311 HydrophobicContact CB-CB 3.57Å; H270-E311 HydrophobicContact CB-CG 4.35Å; H270-E311 VanDerWaalsContact CD2-CB 3.45Å; H270-E311 WeakPolarHBondContact CD2-CB 3.4Å; H270-V312 HydrophobicContact CB-CG2 4.16Å
271E98Very high96.2Very high55 Ų5550.3 Ų50.326%0.25726%0.255SS..Hα-helixtrans-69.7-44.8174.2-71.3172.8145.400110.9A267 G268 L273 A274 Y275 L315A267-E271 WeakPolarHBondContact CA-OE2 3.38Å; A267-E271 HydrophobicContact CB-CB 3.87Å; G268-E271 PolarHBondContact N-OE2 2.82Å; G268-E271 PolarHBondContact O-N 3.46Å; G268-E271 VanDerWaalsContact O-N 3.11Å; E271-L273 VanDerWaalsContact C-N 3.26Å; E271-L273 PolarHBondContact O-N 2.91Å; E271-A274 PolarHBondContact O-N 3.46Å; E271-Y275 HydrophobicContact CB-CD2 4.07Å; E271-Y275 HydrophobicContact CB-CE2 3.72Å; E271-Y275 HydrophobicContact CG-CE2 4.25Å; E271-Y275 VanDerWaalsContact O-CB 3.24Å; E271-Y275 WeakPolarHBondContact O-CB 3.43Å; E271-Y275 WeakPolarHBondContact O-CD2 3.46Å; E271-Y275 PolarHBondContact O-N 3.22Å; E271-L315 HydrophobicContact CG-CD1 3.92Å
272C97.2Very high96.3Very high0 Ų051.6 Ų51.60%026%0.261CS..Hα-helixtrans-52-47.2174.7-173.40000110.7A166 M180 G268 S276A166-C272 WeakPolarHBondContact CB-O 3.48Å; M180-C272 WeakPolarHBondContact CB-SG 3.27Å; G268-C272 VanDerWaalsContact O-CB 3.32Å; G268-C272 WeakPolarHBondContact O-CB 3.35Å; G268-C272 PolarHBondContact O-N 2.88Å; C272-S276 WeakPolarHBondContact O-CB 3.19Å; C272-S276 PolarHBondContact O-N 3.2Å
273L98.3Very high96.3Very high0 Ų056.4 Ų56.40%028%0.282CS..Hα-helixtrans-64.7-51.7175.5-17959.1000113.1T155 L157 A166 A269 E271 S276 I277 I292 L308 V312T155-L273 HydrophobicContact CG2-CD1 3.42Å; T155-L273 VanDerWaalsContact CG2-CD1 3.42Å; L157-L273 HydrophobicContact CB-CD1 4.36Å; L157-L273 HydrophobicContact CD1-CB 4.37Å; L157-L273 HydrophobicContact CD2-CD2 4.27Å; A166-L273 HydrophobicContact CB-CB 4.48Å; A166-L273 HydrophobicContact CB-CD1 4.35Å; A269-L273 WeakPolarHBondContact O-CB 3.34Å; A269-L273 PolarHBondContact O-N 3.19Å; A269-L273 VanDerWaalsContact O-N 3.07Å; E271-L273 VanDerWaalsContact C-N 3.26Å; E271-L273 PolarHBondContact O-N 2.91Å; L273-S276 PolarHBondContact O-N 2.9Å; L273-I277 HydrophobicContact CD1-CD1 4.03Å; L273-I277 HydrophobicContact CG-CD1 4.34Å; L273-I277 WeakPolarHBondContact O-CG1 3.26Å; L273-I277 PolarHBondContact O-N 3.07Å; L273-I277 VanDerWaalsContact O-N 3.11Å; L273-I292 HydrophobicContact CD1-CG1 4.4Å; L273-I292 HydrophobicContact CD1-CG2 4.36Å; L273-I292 HydrophobicContact CD2-CD1 4Å; L273-I292 HydrophobicContact CD2-CG1 4.31Å; L273-I292 HydrophobicContact CD2-CG2 3.83Å; L273-L308 HydrophobicContact CD2-CD1 4.28Å; L273-L308 HydrophobicContact CD2-CD2 4.18Å; L273-L308 HydrophobicContact CD2-CG 4.43Å; L273-V312 HydrophobicContact CD2-CG2 4.01Å
274A97.5Very high96.4Very high2 Ų254.6 Ų54.62%0.01726%0.257CS..Hα-helixtrans-63.9-44.2-176.800000112.1H270 E271 I277 Q278 Y289 L315H270-A274 WeakPolarHBondContact O-CB 3.49Å; H270-A274 PolarHBondContact O-N 3.29Å; E271-A274 PolarHBondContact O-N 3.46Å; A274-I277 PolarHBondContact O-N 2.83Å; A274-Q278 WeakPolarHBondContact O-CB 3.29Å; A274-Q278 PolarHBondContact O-N 3.14Å; A274-Y289 PolarHBondContact O-OH 3.44Å; A274-L315 HydrophobicContact CB-CB 3.88Å; A274-L315 HydrophobicContact CB-CD1 3.79Å
275Y97.6Very high96.5Very high90 Ų9054.2 Ų54.235%0.35325%0.252SS..Hα-helixtrans-68.4-35.6178-61.9-21.9000112.1M180 E271 Q278 K279M180-Y275 HydrophobicContact CE-CD2 4.45Å; E271-Y275 HydrophobicContact CB-CD2 4.07Å; E271-Y275 HydrophobicContact CB-CE2 3.72Å; E271-Y275 HydrophobicContact CG-CE2 4.25Å; E271-Y275 VanDerWaalsContact O-CB 3.24Å; E271-Y275 WeakPolarHBondContact O-CB 3.43Å; E271-Y275 WeakPolarHBondContact O-CD2 3.46Å; E271-Y275 PolarHBondContact O-N 3.22Å; Y275-Q278 PolarHBondContact O-N 3.38Å; Y275-K279 WeakPolarHBondContact O-CG 3.39Å; Y275-K279 PolarHBondContact O-N 2.9Å
276S97.9Very high96.6Very high0 Ų052 Ų520%024%0.235CC..Hα-helixtrans-59.5-49173.6179.70000111.3A166 P168 S178 C272 L273 Q278 K279 S280A166-S276 PolarHBondContact O-OG 3.35Å; P168-S276 WeakPolarHBondContact CD-OG 3.42Å; P168-S276 WeakPolarHBondContact CG-OG 3.28Å; S178-S276 WeakPolarHBondContact O-CA 3.33Å; S178-S276 WeakPolarHBondContact O-CB 3.31Å; S178-S276 PolarHBondContact O-OG 3.36Å; C272-S276 WeakPolarHBondContact O-CB 3.19Å; C272-S276 PolarHBondContact O-N 3.2Å; L273-S276 PolarHBondContact O-N 2.9Å; S276-Q278 VanDerWaalsContact C-N 3.33Å; S276-Q278 PolarHBondContact O-N 3.28Å; S276-K279 PolarHBondContact O-N 3.4Å; S276-S280 PolarHBondContact O-N 3.35Å; S276-S280 PolarHBondContact O-OG 3.11Å
277I98Very high96.7Very high0 Ų050.6 Ų50.60%024%0.236CC..Hα-helixtrans-66-36.9176.4-61.8171.2000111.2T155 L273 A274 K279 S280 R285 L288 Y289 I292T155-I277 HydrophobicContact CG2-CD1 4.34Å; T155-I277 HydrophobicContact CG2-CG1 4.06Å; L273-I277 HydrophobicContact CD1-CD1 4.03Å; L273-I277 HydrophobicContact CG-CD1 4.34Å; L273-I277 WeakPolarHBondContact O-CG1 3.26Å; L273-I277 PolarHBondContact O-N 3.07Å; L273-I277 VanDerWaalsContact O-N 3.11Å; A274-I277 PolarHBondContact O-N 2.83Å; I277-K279 VanDerWaalsContact C-N 3.32Å; I277-K279 PolarHBondContact O-N 3.22Å; I277-S280 WeakPolarHBondContact O-CB 3.39Å; I277-S280 PolarHBondContact O-N 3.22Å; I277-R285 HydrophobicContact CG2-CB 4.06Å; I277-R285 HydrophobicContact CG2-CG 4.35Å; I277-R285 WeakPolarHBondContact O-CG 3.31Å; I277-L288 HydrophobicContact CD1-CB 4.41Å; I277-L288 HydrophobicContact CG1-CB 4.16Å; I277-L288 HydrophobicContact CG2-CB 3.89Å; I277-L288 HydrophobicContact CG2-CD1 4.34Å; I277-Y289 HydrophobicContact CB-CE1 4.41Å; I277-Y289 HydrophobicContact CB-CE2 4.16Å; I277-Y289 HydrophobicContact CD1-CD1 3.64Å; I277-Y289 HydrophobicContact CD1-CE1 3.73Å; I277-Y289 HydrophobicContact CD1-CG 4.07Å; I277-Y289 HydrophobicContact CG2-CD2 3.6Å; I277-Y289 HydrophobicContact CG2-CE1 4.35Å; I277-Y289 HydrophobicContact CG2-CE2 3.4Å; I277-Y289 HydrophobicContact CG2-CG 4.15Å; I277-I292 HydrophobicContact CD1-CD1 4.44Å; I277-I292 HydrophobicContact CD1-CG1 4.34Å
278Q96.1Very high96.8Very high112 Ų11249.7 Ų49.752%0.52323%0.228SC..Hα-helixtrans-67.7-29.9177.6-172.5176.72.300113A274 Y275 S276 S280 R285A274-Q278 WeakPolarHBondContact O-CB 3.29Å; A274-Q278 PolarHBondContact O-N 3.14Å; Y275-Q278 PolarHBondContact O-N 3.38Å; S276-Q278 VanDerWaalsContact C-N 3.33Å; S276-Q278 PolarHBondContact O-N 3.28Å; Q278-S280 VanDerWaalsContact C-N 3.27Å; Q278-R285 PolarHBondContact O-NE 2.98Å; Q278-R285 PolarHBondContact O-NH2 3.15Å
279K97Very high96.9Very high115 Ų11550 Ų5050%0.523%0.229SC..Hα-helixtrans-73.8-19.7173.7-76.3179.5178.7-176.50113.1S178 M180 Y275 S276 I277S178-K279 VanDerWaalsContact OG-C 3.28Å; S178-K279 PolarHBondContact OG-O 2.94Å; M180-K279 HydrophobicContact SD-CD 3.96Å; M180-K279 PolarHBondContact SD-NZ 3.28Å; Y275-K279 WeakPolarHBondContact O-CG 3.39Å; Y275-K279 PolarHBondContact O-N 2.9Å; S276-K279 PolarHBondContact O-N 3.4Å; I277-K279 VanDerWaalsContact C-N 3.32Å; I277-K279 PolarHBondContact O-N 3.22Å
280S96.6Very high96.8Very high1 Ų152.7 Ų52.71%0.00724%0.242CC..SBendtrans-71.7161.2176.4-530000112.5S178 S276 I277 Q278 R285S178-S280 VanDerWaalsContact CB-OG 3.28Å; S178-S280 WeakPolarHBondContact CB-OG 3.27Å; S178-S280 WeakPolarHBondContact OG-CA 3.39Å; S178-S280 PolarHBondContact OG-N 2.83Å; S178-S280 VanDerWaalsContact OG-N 3.12Å; S178-S280 PolarHBondContact OG-OG 3.32Å; S276-S280 PolarHBondContact O-N 3.35Å; S276-S280 PolarHBondContact O-OG 3.11Å; I277-S280 WeakPolarHBondContact O-CB 3.39Å; I277-S280 PolarHBondContact O-N 3.22Å; Q278-S280 VanDerWaalsContact C-N 3.27Å; S280-R285 PolarHBondContact O-NE 2.81Å; S280-R285 PolarHBondContact O-NH2 2.92Å
281D95.1Very high96.8Very high80 Ų8054.3 Ų54.343%0.42825%0.251SS..  trans-52.1137.8176.3-58.8-52000111.1M175 E283 L284 R285M175-D281 VanDerWaalsContact CE-OD2 3.28Å; M175-D281 WeakPolarHBondContact CE-OD2 3.34Å; D281-E283 PolarHBondContact O-N 2.96Å; D281-L284 HydrophobicContact CB-CD1 4.31Å; D281-L284 HydrophobicContact CB-CG 4.32Å; D281-L284 PolarHBondContact O-N 3.33Å; D281-R285 WeakPolarHBondContact O-CG 3.41Å; D281-R285 PolarHBondContact O-N 3.17Å
282I93.9Very high96.8Very high117 Ų11751.7 Ų51.760%0.624%0.238SC*.THydrogen-bonded Turntrans-60.2-33.2-169.5-169.4167.5000112L284I282-L284 VanDerWaalsContact C-N 3.32Å; I282-L284 PolarHBondContact O-N 3.43Å
283E95.1Very high96.8Very high147 Ų14751.7 Ų51.769%0.68724%0.238SC*.THydrogen-bonded Turntrans-67.4-31178-63.274.5-161.900112.5D281D281-E283 PolarHBondContact O-N 2.96Å
284L96Very high96.8Very high27 Ų2751.7 Ų51.714%0.14124%0.238CC..THydrogen-bonded Turntrans-86.5-24-176.5-62-178.8000112.7F170 M175 D281 I282 R286 T287 L288F170-L284 HydrophobicContact CB-CD1 4.35Å; F170-L284 HydrophobicContact CD2-CD1 4.1Å; F170-L284 HydrophobicContact CD2-CD2 3.62Å; F170-L284 HydrophobicContact CE2-CD2 3.52Å; F170-L284 HydrophobicContact CG-CD1 4.12Å; F170-L284 HydrophobicContact CG-CD2 4.39Å; F170-L284 HydrophobicContact CZ-CD2 4.23Å; M175-L284 HydrophobicContact CE-CD1 3.88Å; M175-L284 HydrophobicContact SD-CD1 3.89Å; D281-L284 HydrophobicContact CB-CD1 4.31Å; D281-L284 HydrophobicContact CB-CG 4.32Å; D281-L284 PolarHBondContact O-N 3.33Å; I282-L284 VanDerWaalsContact C-N 3.32Å; I282-L284 PolarHBondContact O-N 3.43Å; L284-R286 VanDerWaalsContact C-N 3.31Å; L284-R286 PolarHBondContact O-N 2.72Å; L284-R286 VanDerWaalsContact O-N 3.17Å; L284-T287 WeakPolarHBondContact O-CB 3.2Å; L284-T287 PolarHBondContact O-N 2.83Å; L284-L288 HydrophobicContact CB-CD1 4.07Å; L284-L288 HydrophobicContact CB-CG 4.34Å; L284-L288 WeakPolarHBondContact O-CG 3.3Å; L284-L288 PolarHBondContact O-N 3.42Å
285R96.5Very high96.5Very high75 Ų7551.7 Ų51.728%0.28324%0.238SC..Hα-helixtrans-53.6-43.4-171.4-58.5-169.3-175.2156.85.1113.7I277 Q278 S280 D281 L288 Y289I277-R285 HydrophobicContact CG2-CB 4.06Å; I277-R285 HydrophobicContact CG2-CG 4.35Å; I277-R285 WeakPolarHBondContact O-CG 3.31Å; Q278-R285 PolarHBondContact O-NE 2.98Å; Q278-R285 PolarHBondContact O-NH2 3.15Å; S280-R285 PolarHBondContact O-NE 2.81Å; S280-R285 PolarHBondContact O-NH2 2.92Å; D281-R285 WeakPolarHBondContact O-CG 3.41Å; D281-R285 PolarHBondContact O-N 3.17Å; R285-L288 PolarHBondContact O-N 2.95Å; R285-Y289 WeakPolarHBondContact O-CD2 3.39Å; R285-Y289 PolarHBondContact O-N 2.88Å
286R95.9Very high95.9Very high153 Ų15347.4 Ų47.458%0.57722%0.222SC*.Hα-helixtrans-59.3-49.9177.7-178.1-179.9-124.3175.43.5110.9L284 L288 Y289 E290L284-R286 VanDerWaalsContact C-N 3.31Å; L284-R286 PolarHBondContact O-N 2.72Å; L284-R286 VanDerWaalsContact O-N 3.17Å; R286-L288 VanDerWaalsContact C-N 3.3Å; R286-L288 PolarHBondContact O-N 2.91Å; R286-Y289 PolarHBondContact O-N 3.19Å; R286-E290 WeakPolarHBondContact O-CG 3.47Å; R286-E290 PolarHBondContact O-N 3.36Å; R286-E290 VanDerWaalsContact O-N 3.07Å
287T96.6Very high95.3Very high58 Ų5848 Ų4836%0.35623%0.227SC..Hα-helixtrans-62.1-38.9179.2-54.30000111.6T153 L284 E290 N291T153-T287 HydrophobicContact CG2-CG2 4.05Å; L284-T287 WeakPolarHBondContact O-CB 3.2Å; L284-T287 PolarHBondContact O-N 2.83Å; T287-E290 PolarHBondContact O-N 2.88Å; T287-N291 WeakPolarHBondContact O-CB 3.4Å; T287-N291 PolarHBondContact O-N 3.21Å; T287-N291 PolarHBondContact O-ND2 3.21Å
288L97.7Very high95.1Very high1 Ų148.1 Ų48.11%0.00523%0.228CC..Hα-helixtrans-67.4-45.4179.2-68.7174.4000112T155 P168 I277 L284 R285 R286 E290 N291T155-L288 WeakPolarHBondContact OG1-CB 3.23Å; T155-L288 WeakPolarHBondContact OG1-CD2 3.03Å; P168-L288 HydrophobicContact CB-CD1 3.97Å; P168-L288 HydrophobicContact CB-CD2 4.13Å; I277-L288 HydrophobicContact CD1-CB 4.41Å; I277-L288 HydrophobicContact CG1-CB 4.16Å; I277-L288 HydrophobicContact CG2-CB 3.89Å; I277-L288 HydrophobicContact CG2-CD1 4.34Å; L284-L288 HydrophobicContact CB-CD1 4.07Å; L284-L288 HydrophobicContact CB-CG 4.34Å; L284-L288 WeakPolarHBondContact O-CG 3.3Å; L284-L288 PolarHBondContact O-N 3.42Å; R285-L288 PolarHBondContact O-N 2.95Å; R286-L288 VanDerWaalsContact C-N 3.3Å; R286-L288 PolarHBondContact O-N 2.91Å; L288-E290 VanDerWaalsContact C-N 3.27Å; L288-E290 PolarHBondContact O-N 3Å; L288-N291 CarbonylContact O-C 3.38Å; L288-N291 PolarHBondContact O-N 3.17Å; L288-N291 VanDerWaalsContact O-N 3.09Å
289Y97.6Very high95Very high7 Ų742.8 Ų42.83%0.02720%0.204CC..Hα-helixtrans-62.7-31.9173.5-83-63000113.3A274 I277 R285 R286 N291 I292 V312 A316 I320 I322 R323A274-Y289 PolarHBondContact O-OH 3.44Å; I277-Y289 HydrophobicContact CB-CE1 4.41Å; I277-Y289 HydrophobicContact CB-CE2 4.16Å; I277-Y289 HydrophobicContact CD1-CD1 3.64Å; I277-Y289 HydrophobicContact CD1-CE1 3.73Å; I277-Y289 HydrophobicContact CD1-CG 4.07Å; I277-Y289 HydrophobicContact CG2-CD2 3.6Å; I277-Y289 HydrophobicContact CG2-CE1 4.35Å; I277-Y289 HydrophobicContact CG2-CE2 3.4Å; I277-Y289 HydrophobicContact CG2-CG 4.15Å; R285-Y289 WeakPolarHBondContact O-CD2 3.39Å; R285-Y289 PolarHBondContact O-N 2.88Å; R286-Y289 PolarHBondContact O-N 3.19Å; Y289-N291 VanDerWaalsContact C-N 3.27Å; Y289-N291 PolarHBondContact O-N 3.38Å; Y289-I292 HydrophobicContact CD1-CD1 4.42Å; Y289-V312 HydrophobicContact CD1-CG1 4.26Å; Y289-V312 HydrophobicContact CE1-CG1 3.89Å; Y289-A316 HydrophobicContact CD1-CB 4.32Å; Y289-A316 HydrophobicContact CE1-CB 3.78Å; Y289-A316 HydrophobicContact CE2-CB 4.45Å; Y289-I320 VanDerWaalsContact CB-CG2 3.44Å; Y289-I320 HydrophobicContact CD2-CD1 3.94Å; Y289-I320 HydrophobicContact CD2-CG2 3.92Å; Y289-I320 HydrophobicContact CE2-CD1 4.33Å; Y289-I320 HydrophobicContact CG-CG2 3.9Å; Y289-I322 HydrophobicContact CD1-CG1 4.16Å; Y289-I322 WeakPolarHBondContact O-CA 3.47Å; Y289-R323 PolarHBondContact O-N 2.94Å
290E96.6Very high94.8Very high59 Ų5940.8 Ų40.828%0.27620%0.198SC..THydrogen-bonded Turntrans-78.5-8.4176.1-75.3-177-162.600113.6R286 T287 L288 K321 R323R286-E290 WeakPolarHBondContact O-CG 3.47Å; R286-E290 PolarHBondContact O-N 3.36Å; R286-E290 VanDerWaalsContact O-N 3.07Å; T287-E290 PolarHBondContact O-N 2.88Å; L288-E290 VanDerWaalsContact C-N 3.27Å; L288-E290 PolarHBondContact O-N 3Å; E290-K321 HydrophobicContact CG-CB 4.26Å; E290-K321 WeakPolarHBondContact CG-O 3.19Å; E290-R323 WeakPolarHBondContact O-CB 3.45Å
291N96.9Very high94.7Very high42 Ų4241.4 Ų41.423%0.22520%0.2CC..THydrogen-bonded Turntrans-136.153.7-175-66.5-64.9000111.9G154 T155 T287 L288 Y289G154-N291 CarbonylContact C-O 3.17Å; G154-N291 WeakPolarHBondContact CA-O 3.43Å; T155-N291 PolarHBondContact N-O 3.45Å; T287-N291 WeakPolarHBondContact O-CB 3.4Å; T287-N291 PolarHBondContact O-N 3.21Å; T287-N291 PolarHBondContact O-ND2 3.21Å; L288-N291 CarbonylContact O-C 3.38Å; L288-N291 PolarHBondContact O-N 3.17Å; L288-N291 VanDerWaalsContact O-N 3.09Å; Y289-N291 VanDerWaalsContact C-N 3.27Å; Y289-N291 PolarHBondContact O-N 3.38Å
292I98.4Very high94.6Very high0 Ų044.8 Ų44.80%021%0.214CC..EExtended strand (participates in β ladder)trans-82.8133.9173.1-62.7154.7000109.5T155 L273 I277 Y289 L294 I322 R323 I324 T325T155-I292 CarbonylContact O-C 3.59Å; T155-I292 VanDerWaalsContact O-CA 3.29Å; T155-I292 WeakPolarHBondContact O-CA 3.49Å; L273-I292 HydrophobicContact CD1-CG1 4.4Å; L273-I292 HydrophobicContact CD1-CG2 4.36Å; L273-I292 HydrophobicContact CD2-CD1 4Å; L273-I292 HydrophobicContact CD2-CG1 4.31Å; L273-I292 HydrophobicContact CD2-CG2 3.83Å; I277-I292 HydrophobicContact CD1-CD1 4.44Å; I277-I292 HydrophobicContact CD1-CG1 4.34Å; Y289-I292 HydrophobicContact CD1-CD1 4.42Å; I292-L294 HydrophobicContact CG2-CD2 4.32Å; I292-I322 HydrophobicContact CD1-CG2 3.82Å; I292-R323 WeakPolarHBondContact CB-O 3.28Å; I292-R323 PolarHBondContact N-O 2.85Å; I292-R323 VanDerWaalsContact N-O 3.09Å; I292-I324 HydrophobicContact CB-CG1 4.2Å; I292-I324 HydrophobicContact CD1-CG1 4.24Å; I292-I324 HydrophobicContact CG2-CG1 4.21Å; I292-I324 HydrophobicContact CG2-CG2 4.29Å; I292-T325 PolarHBondContact O-N 3.11Å
293V97.8Very high94.5Very high0 Ų040.4 Ų40.40%020%0.197CC..EExtended strand (participates in β ladder)trans-121.8130.2175.1178.10000109.4L146 T149 T155 V156 L157 T325L146-V293 HydrophobicContact CD1-CG2 3.91Å; T149-V293 HydrophobicContact CG2-CG1 3.66Å; T149-V293 HydrophobicContact CG2-CG2 4.08Å; T155-V293 PolarHBondContact O-N 3Å; V156-V293 WeakPolarHBondContact CA-O 3.39Å; V156-V293 HydrophobicContact CG2-CB 4.26Å; L157-V293 PolarHBondContact N-O 3.17Å; V293-T325 WeakPolarHBondContact CA-O 3.34Å
294L97.7Very high94.6Very high0 Ų033.5 Ų33.50%017%0.165CC..EExtended strand (participates in β ladder)trans-91.2133.4174.3-57.1-170.6000111L157 I292 T299 F304 L308 I324 T325 A326 R330L157-L294 HydrophobicContact CB-CD2 3.99Å; L157-L294 HydrophobicContact CD2-CD2 4.02Å; L157-L294 HydrophobicContact CG-CD2 4.46Å; I292-L294 HydrophobicContact CG2-CD2 4.32Å; L294-T299 HydrophobicContact CB-CG2 4.29Å; L294-F304 HydrophobicContact CD1-CD1 3.85Å; L294-F304 HydrophobicContact CD1-CE1 4.09Å; L294-F304 HydrophobicContact CD2-CE1 4.42Å; L294-L308 HydrophobicContact CD1-CD2 4.38Å; L294-L308 HydrophobicContact CD2-CD2 3.51Å; L294-I324 HydrophobicContact CD1-CG2 3.78Å; L294-I324 HydrophobicContact CD2-CG2 3.93Å; L294-I324 HydrophobicContact CG-CG2 3.58Å; L294-T325 PolarHBondContact N-O 3.26Å; L294-A326 HydrophobicContact CB-CB 4.29Å; L294-A326 HydrophobicContact CD1-CB 4Å; L294-A326 HydrophobicContact CG-CB 4.32Å; L294-R330 WeakPolarHBondContact O-CB 3.29Å
295S91.4Very high94.6Very high1 Ų133.3 Ų33.31%0.00717%0.17CC..EExtended strand (participates in β ladder)trans-134.3157177-179.30000109.6S145 L157 D158 C159 T299S145-S295 WeakPolarHBondContact CB-OG 3.38Å; S145-S295 PolarHBondContact OG-OG 2.93Å; L157-S295 PolarHBondContact O-N 3.36Å; D158-S295 VanDerWaalsContact CA-O 3.31Å; D158-S295 WeakPolarHBondContact CA-O 3.43Å; D158-S295 WeakPolarHBondContact OD2-CB 3.12Å; D158-S295 PolarHBondContact OD2-OG 3.4Å; C159-S295 PolarHBondContact N-O 3.13Å; S295-T299 WeakPolarHBondContact O-CG2 3.28Å
296G86Confident94.5Very high1 Ų135.3 Ų35.31%0.0119%0.186CC..SBendtrans92.2150.6173.900000114.5D158 C159 S298 T299 R330D158-G296 WeakPolarHBondContact OD1-CA 3.34Å; C159-G296 CarbonylContact O-C 3.23Å; C159-G296 WeakPolarHBondContact O-CA 3.19Å; G296-S298 PolarHBondContact O-N 2.87Å; G296-T299 PolarHBondContact O-N 3.35Å; G296-T299 VanDerWaalsContact O-N 3.13Å; G296-T299 PolarHBondContact O-OG1 2.99Å; G296-R330 PolarHBondContact N-O 3.01Å
297G85.4Confident94.4Very high12 Ų1228.5 Ų28.512%0.12416%0.161CC..G310 helixtrans-63.5-35.9-170.900000114.1D13 C159 T299 L300D13-G297 WeakPolarHBondContact OD2-CA 3.44Å; C159-G297 PolarHBondContact O-N 3.49Å; G297-T299 PolarHBondContact O-N 3.35Å; G297-L300 WeakPolarHBondContact O-CB 3.24Å; G297-L300 WeakPolarHBondContact O-CG 3.34Å; G297-L300 PolarHBondContact O-N 3.45Å
298S92Very high94.5Very high3 Ų325.8 Ų25.82%0.02114%0.144CC..G310 helixtrans-67.4-18.6177.5-630000113C159 G160 G186 G296 L300 F301C159-S298 VanDerWaalsContact O-CB 3.28Å; C159-S298 WeakPolarHBondContact O-CB 3.29Å; C159-S298 PolarHBondContact O-N 2.93Å; C159-S298 WeakPolarHBondContact SG-CB 3.33Å; G160-S298 PolarHBondContact O-OG 2.87Å; G186-S298 WeakPolarHBondContact CA-OG 3.43Å; G186-S298 PolarHBondContact N-OG 3.44Å; G186-S298 VanDerWaalsContact N-OG 3.1Å; G296-S298 PolarHBondContact O-N 2.87Å; S298-L300 PolarHBondContact O-N 2.93Å; S298-F301 WeakPolarHBondContact O-CD2 3.13Å
299T94.8Very high94.4Very high0 Ų027.8 Ų27.80%015%0.154CC..G310 helixtrans-75.7-6.5171.573.50000113.2C159 L294 S295 G296 G297 F301 F304 R330C159-T299 HydrophobicContact CB-CG2 3.59Å; L294-T299 HydrophobicContact CB-CG2 4.29Å; S295-T299 WeakPolarHBondContact O-CG2 3.28Å; G296-T299 PolarHBondContact O-N 3.35Å; G296-T299 VanDerWaalsContact O-N 3.13Å; G296-T299 PolarHBondContact O-OG1 2.99Å; G297-T299 PolarHBondContact O-N 3.35Å; T299-F301 VanDerWaalsContact C-N 3.32Å; T299-F304 HydrophobicContact CG2-CD1 4.28Å; T299-F304 HydrophobicContact CG2-CE1 3.72Å; T299-F304 HydrophobicContact CG2-CZ 4.01Å; T299-R330 PolarHBondContact O-NE 3.39Å; T299-R330 PolarHBondContact O-NH2 3.26Å; T299-R330 VanDerWaalsContact OG1-CD 3.23Å; T299-R330 WeakPolarHBondContact OG1-CD 3.47Å; T299-R330 PolarHBondContact OG1-NE 2.97Å
300L93.8Very high94.3Very high72 Ų7229.6 Ų29.638%0.37717%0.168SC..G310 helixtrans-77.5-12.5177.8-66.6169.9000114.1G297 S298 Q302 R330 L331G297-L300 WeakPolarHBondContact O-CB 3.24Å; G297-L300 WeakPolarHBondContact O-CG 3.34Å; G297-L300 PolarHBondContact O-N 3.45Å; S298-L300 PolarHBondContact O-N 2.93Å; L300-Q302 PolarHBondContact O-N 3.2Å; L300-R330 HydrophobicContact CD2-CG 3.88Å; L300-L331 HydrophobicContact CD1-CB 4.09Å; L300-L331 HydrophobicContact CD1-CD1 3.8Å; L300-L331 HydrophobicContact CD1-CD2 4.36Å; L300-L331 HydrophobicContact CD1-CG 4.32Å
301F94Very high94.3Very high14 Ų1427.9 Ų27.96%0.06116%0.16CC..SBendtrans-51.4131.8174.4-72.6-57.5000110.7V189 K217 C221 T223 P253 L256 S298 T299 G303 F304V189-F301 HydrophobicContact CG1-CE2 4.34Å; V189-F301 HydrophobicContact CG1-CZ 3.89Å; V189-F301 HydrophobicContact CG2-CE2 4.32Å; K217-F301 HydrophobicContact CD-CZ 3.88Å; K217-F301 HydrophobicContact CG-CE1 3.73Å; K217-F301 HydrophobicContact CG-CZ 3.56Å; C221-F301 HydrophobicContact CB-CD1 4.12Å; C221-F301 HydrophobicContact CB-CE1 3.72Å; T223-F301 HydrophobicContact CG2-CB 3.98Å; T223-F301 HydrophobicContact CG2-CG 4.47Å; P253-F301 HydrophobicContact CB-CD2 4.12Å; P253-F301 HydrophobicContact CB-CE2 4.21Å; P253-F301 HydrophobicContact CB-CG 4.35Å; P253-F301 HydrophobicContact CB-CZ 4.48Å; P253-F301 HydrophobicContact CG-CD1 4.19Å; P253-F301 HydrophobicContact CG-CE1 4.08Å; P253-F301 HydrophobicContact CG-CE2 4.43Å; P253-F301 HydrophobicContact CG-CG 4.43Å; P253-F301 HydrophobicContact CG-CZ 4.21Å; L256-F301 HydrophobicContact CD1-CD2 3.95Å; L256-F301 HydrophobicContact CD1-CE2 3.88Å; S298-F301 WeakPolarHBondContact O-CD2 3.13Å; T299-F301 VanDerWaalsContact C-N 3.32Å; F301-G303 PolarHBondContact O-N 3.02Å; F301-F304 HydrophobicContact CB-CB 4.26Å; F301-F304 WeakPolarHBondContact O-CB 3.41Å; F301-F304 PolarHBondContact O-N 3.37Å
302Q92.4Very high94.3Very high152 Ų15225.9 Ų25.971%0.7115%0.149SC*.BIsolated β-bridgetrans-57.3133.7176.1-177.8-178.2-5.400109.3F222 T223 L300 F304F222-Q302 HydrophobicContact CB-CB 3.87Å; T223-Q302 PolarHBondContact N-O 2.98Å; T223-Q302 VanDerWaalsContact O-O 3.05Å; T223-Q302 PolarHBondContact OG1-O 3.26Å; L300-Q302 PolarHBondContact O-N 3.2Å; Q302-F304 VanDerWaalsContact C-N 3.29Å; Q302-F304 PolarHBondContact O-N 2.89Å
303G92.6Very high94.1Very high25 Ų2532.1 Ų32.126%0.25818%0.176SC..THydrogen-bonded Turntrans80.2-1.3-177.400000115.4T223 F301 G305 D306 R307T223-G303 PolarHBondContact OG1-O 3.46Å; F301-G303 PolarHBondContact O-N 3.02Å; G303-G305 VanDerWaalsContact C-N 3.31Å; G303-G305 PolarHBondContact O-N 2.89Å; G303-D306 PolarHBondContact O-N 2.98Å; G303-D306 VanDerWaalsContact O-N 3.13Å; G303-R307 WeakPolarHBondContact O-CB 3.39Å; G303-R307 PolarHBondContact O-N 3.3Å
304F96Very high94Very high1 Ų138.6 Ų38.60%0.00421%0.205CC..Hα-helixtrans-58.8-44.6-174.5-178-84.3000111.7L157 T223 L256 F257 L294 T299 F301 Q302 D306 R307 L308L157-F304 HydrophobicContact CD2-CE1 4.34Å; L157-F304 HydrophobicContact CD2-CZ 4.43Å; T223-F304 HydrophobicContact CG2-CD2 4.31Å; T223-F304 WeakPolarHBondContact OG1-CA 2.98Å; T223-F304 PolarHBondContact OG1-N 3.12Å; L256-F304 HydrophobicContact CD1-CD2 4.49Å; L256-F304 HydrophobicContact CD1-CE2 4.01Å; F257-F304 HydrophobicContact CE2-CD2 4.13Å; F257-F304 HydrophobicContact CE2-CE2 4.08Å; F257-F304 AromaticContact CZ-CD2 3.95Å; F257-F304 HydrophobicContact CZ-CD2 3.95Å; F257-F304 AromaticContact CZ-CE2 3.8Å; F257-F304 HydrophobicContact CZ-CE2 3.8Å; F257-F304 HydrophobicContact CZ-CZ 4.29Å; L294-F304 HydrophobicContact CD1-CD1 3.85Å; L294-F304 HydrophobicContact CD1-CE1 4.09Å; L294-F304 HydrophobicContact CD2-CE1 4.42Å; T299-F304 HydrophobicContact CG2-CD1 4.28Å; T299-F304 HydrophobicContact CG2-CE1 3.72Å; T299-F304 HydrophobicContact CG2-CZ 4.01Å; F301-F304 HydrophobicContact CB-CB 4.26Å; F301-F304 WeakPolarHBondContact O-CB 3.41Å; F301-F304 PolarHBondContact O-N 3.37Å; Q302-F304 VanDerWaalsContact C-N 3.29Å; Q302-F304 PolarHBondContact O-N 2.89Å; F304-D306 PolarHBondContact O-N 3.07Å; F304-R307 PolarHBondContact O-N 3.2Å; F304-L308 HydrophobicContact CE1-CB 4.5Å; F304-L308 HydrophobicContact CE1-CD2 4.06Å; F304-L308 WeakPolarHBondContact O-CB 3.27Å; F304-L308 PolarHBondContact O-N 2.98Å
305G95.6Very high93.9Very high24 Ų2442.1 Ų42.125%0.24722%0.223CC..Hα-helixtrans-62.2-41.4177.600000113.3G303 L309G303-G305 VanDerWaalsContact C-N 3.31Å; G303-G305 PolarHBondContact O-N 2.89Å; G305-L309 VanDerWaalsContact O-CB 3.26Å; G305-L309 WeakPolarHBondContact O-CB 3.32Å; G305-L309 PolarHBondContact O-N 3.09Å
306D94.8Very high94Very high117 Ų11742.6 Ų42.663%0.62623%0.227SC*.Hα-helixtrans-70-42.2178.8-66.7-41.3000111.6G303 F304 L309 S310G303-D306 PolarHBondContact O-N 2.98Å; G303-D306 VanDerWaalsContact O-N 3.13Å; F304-D306 PolarHBondContact O-N 3.07Å; D306-L309 PolarHBondContact O-N 3.12Å; D306-S310 WeakPolarHBondContact O-CB 3.2Å; D306-S310 PolarHBondContact O-N 2.69Å
307R95.2Very high94.2Very high10 Ų1046 Ų464%0.03825%0.249CC..Hα-helixtrans-60.6-50.4174.5175.355.4-175.4-72.4-6.7110.8S224 T225 E254 F257 H258 G303 F304 L309 S310 E311S224-R307 PolarHBondContact O-NH1 3.42Å; T225-R307 HydrophobicContact CG2-CB 4.34Å; E254-R307 IonicContact OE1-CZ 3.6Å; E254-R307 VanDerWaalsContact OE1-CZ 3.29Å; E254-R307 IonicContact OE1-NH1 3.06Å; E254-R307 PolarHBondContact OE1-NH1 2.88Å; E254-R307 IonicContact OE1-NH2 3.29Å; E254-R307 PolarHBondContact OE1-NH2 3.17Å; E254-R307 IonicContact OE2-CZ 3.79Å; E254-R307 IonicContact OE2-NH1 2.66Å; E254-R307 PolarHBondContact OE2-NH1 2.89Å; E254-R307 IonicContact OE2-NH2 3.37Å; F257-R307 HydrophobicContact CD1-CG 4.02Å; F257-R307 HydrophobicContact CD2-CG 4.04Å; F257-R307 HydrophobicContact CE1-CB 4.45Å; F257-R307 HydrophobicContact CE1-CG 3.65Å; F257-R307 HydrophobicContact CE2-CB 4.42Å; F257-R307 HydrophobicContact CE2-CG 3.66Å; F257-R307 HydrophobicContact CG-CG 4.23Å; F257-R307 HydrophobicContact CZ-CB 4.03Å; F257-R307 HydrophobicContact CZ-CG 3.46Å; F257-R307 VanDerWaalsContact CZ-CG 3.46Å; H258-R307 PolarHBondContact NE2-NH2 3.47Å; G303-R307 WeakPolarHBondContact O-CB 3.39Å; G303-R307 PolarHBondContact O-N 3.3Å; F304-R307 PolarHBondContact O-N 3.2Å; R307-L309 VanDerWaalsContact C-N 3.34Å; R307-L309 PolarHBondContact O-N 2.7Å; R307-S310 WeakPolarHBondContact O-CB 3.24Å; R307-S310 PolarHBondContact O-N 3.49Å; R307-E311 IonicContact CZ-OE1 3.68Å; R307-E311 IonicContact NE-OE1 2.66Å; R307-E311 PolarHBondContact NE-OE1 2.88Å; R307-E311 IonicContact NH2-OE1 3.94Å; R307-E311 PolarHBondContact O-N 3.04Å; R307-E311 VanDerWaalsContact O-N 3.08Å
308L97.5Very high94.3Very high0 Ų055.3 Ų55.30%029%0.286CS..Hα-helixtrans-58.2-45.8176.8-178.767.7000111.6L157 F257 H270 L273 L294 F304 S310 E311 V312 I324L157-L308 HydrophobicContact CD2-CD1 3.87Å; L157-L308 HydrophobicContact CD2-CD2 3.48Å; L157-L308 VanDerWaalsContact CD2-CD2 3.48Å; L157-L308 HydrophobicContact CD2-CG 4.34Å; F257-L308 HydrophobicContact CE1-CB 4.23Å; F257-L308 HydrophobicContact CE1-CD1 4.27Å; H270-L308 HydrophobicContact CB-CD1 3.79Å; L273-L308 HydrophobicContact CD2-CD1 4.28Å; L273-L308 HydrophobicContact CD2-CD2 4.18Å; L273-L308 HydrophobicContact CD2-CG 4.43Å; L294-L308 HydrophobicContact CD1-CD2 4.38Å; L294-L308 HydrophobicContact CD2-CD2 3.51Å; F304-L308 HydrophobicContact CE1-CB 4.5Å; F304-L308 HydrophobicContact CE1-CD2 4.06Å; F304-L308 WeakPolarHBondContact O-CB 3.27Å; F304-L308 PolarHBondContact O-N 2.98Å; L308-S310 VanDerWaalsContact C-N 3.31Å; L308-S310 PolarHBondContact O-N 3.45Å; L308-E311 PolarHBondContact O-N 2.9Å; L308-V312 HydrophobicContact CD1-CG2 3.83Å; L308-V312 HydrophobicContact CG-CG2 4.1Å; L308-V312 WeakPolarHBondContact O-CB 3.22Å; L308-V312 WeakPolarHBondContact O-CG2 3.39Å; L308-V312 PolarHBondContact O-N 2.93Å; L308-I324 HydrophobicContact CB-CD1 4.47Å; L308-I324 HydrophobicContact CD2-CD1 4.02Å; L308-I324 HydrophobicContact CG-CD1 4.13Å
309L96.2Very high94.1Very high43 Ų4362 Ų6223%0.22532%0.321CS..Hα-helixtrans-60.3-41.5178-177.260.9000111.9G305 D306 R307 K313 I322 I324G305-L309 VanDerWaalsContact O-CB 3.26Å; G305-L309 WeakPolarHBondContact O-CB 3.32Å; G305-L309 PolarHBondContact O-N 3.09Å; D306-L309 PolarHBondContact O-N 3.12Å; R307-L309 VanDerWaalsContact C-N 3.34Å; R307-L309 PolarHBondContact O-N 2.7Å; L309-K313 HydrophobicContact CD1-CD 4.4Å; L309-K313 HydrophobicContact CD1-CG 4.39Å; L309-K313 HydrophobicContact CG-CD 4.26Å; L309-K313 WeakPolarHBondContact O-CB 3.41Å; L309-K313 WeakPolarHBondContact O-CG 3.42Å; L309-K313 PolarHBondContact O-N 3.2Å; L309-K313 VanDerWaalsContact O-N 3.08Å; L309-I322 HydrophobicContact CD1-CB 3.9Å; L309-I322 HydrophobicContact CD1-CG2 3.51Å; L309-I324 HydrophobicContact CB-CD1 3.87Å; L309-I324 HydrophobicContact CD1-CD1 4.1Å; L309-I324 HydrophobicContact CD1-CG1 4.47Å
310S95.3Very high94Very high45 Ų4563.7 Ų63.732%0.31533%0.33SS..Hα-helixtrans-63-44.6178.5-175.10000111.8D306 R307 L308 K314D306-S310 WeakPolarHBondContact O-CB 3.2Å; D306-S310 PolarHBondContact O-N 2.69Å; R307-S310 WeakPolarHBondContact O-CB 3.24Å; R307-S310 PolarHBondContact O-N 3.49Å; L308-S310 VanDerWaalsContact C-N 3.31Å; L308-S310 PolarHBondContact O-N 3.45Å; S310-K314 WeakPolarHBondContact O-CG 3.46Å
311E95.9Very high94Very high24 Ų2465.7 Ų65.711%0.11234%0.336CS..Hα-helixtrans-72-45.3179.9-64.7-52.3147.500112.6F257 H270 R307 L308 K313 K314 L315F257-E311 HydrophobicContact CD1-CG 4.3Å; H270-E311 HydrophobicContact CB-CB 3.57Å; H270-E311 HydrophobicContact CB-CG 4.35Å; H270-E311 VanDerWaalsContact CD2-CB 3.45Å; H270-E311 WeakPolarHBondContact CD2-CB 3.4Å; R307-E311 IonicContact CZ-OE1 3.68Å; R307-E311 IonicContact NE-OE1 2.66Å; R307-E311 PolarHBondContact NE-OE1 2.88Å; R307-E311 IonicContact NH2-OE1 3.94Å; R307-E311 PolarHBondContact O-N 3.04Å; R307-E311 VanDerWaalsContact O-N 3.08Å; L308-E311 PolarHBondContact O-N 2.9Å; E311-K313 PolarHBondContact O-N 3.03Å; E311-K314 WeakPolarHBondContact O-CB 3.37Å; E311-K314 PolarHBondContact O-N 3.14Å; E311-K314 IonicContact OE1-NZ 2.97Å; E311-K314 PolarHBondContact OE1-NZ 3.48Å; E311-K314 WeakPolarHBondContact OE2-CD 3.34Å; E311-K314 WeakPolarHBondContact OE2-CE 3.31Å; E311-K314 IonicContact OE2-NZ 3.19Å; E311-K314 PolarHBondContact OE2-NZ 3.49Å; E311-L315 PolarHBondContact O-N 3.4Å
312V96.7Very high94.2Very high0 Ų066.1 Ų66.10%034%0.338CS..Hα-helixtrans-62.3-34.6179.3176.50000110.8H270 L273 Y289 L308 K314 L315 A316 I322H270-V312 HydrophobicContact CB-CG2 4.16Å; L273-V312 HydrophobicContact CD2-CG2 4.01Å; Y289-V312 HydrophobicContact CD1-CG1 4.26Å; Y289-V312 HydrophobicContact CE1-CG1 3.89Å; L308-V312 HydrophobicContact CD1-CG2 3.83Å; L308-V312 HydrophobicContact CG-CG2 4.1Å; L308-V312 WeakPolarHBondContact O-CB 3.22Å; L308-V312 WeakPolarHBondContact O-CG2 3.39Å; L308-V312 PolarHBondContact O-N 2.93Å; V312-K314 PolarHBondContact O-N 3.35Å; V312-L315 PolarHBondContact O-N 3.46Å; V312-L315 VanDerWaalsContact O-N 3.16Å; V312-A316 VanDerWaalsContact O-CB 3.24Å; V312-A316 WeakPolarHBondContact O-CB 3.49Å; V312-A316 PolarHBondContact O-N 2.97Å; V312-I322 HydrophobicContact CG1-CD1 3.89Å; V312-I322 HydrophobicContact CG1-CG1 4.49Å; V312-I322 HydrophobicContact CG1-CG2 4.43Å
313K95.2Very high94.4Very high131 Ų13165.2 Ų65.257%0.5733%0.328SS*.Hα-helixtrans-60.8-27.9172.9-83.6175.2178.2178.10113.9L309 E311 I322L309-K313 HydrophobicContact CD1-CD 4.4Å; L309-K313 HydrophobicContact CD1-CG 4.39Å; L309-K313 HydrophobicContact CG-CD 4.26Å; L309-K313 WeakPolarHBondContact O-CB 3.41Å; L309-K313 WeakPolarHBondContact O-CG 3.42Å; L309-K313 PolarHBondContact O-N 3.2Å; L309-K313 VanDerWaalsContact O-N 3.08Å; E311-K313 PolarHBondContact O-N 3.03Å; K313-I322 HydrophobicContact CB-CD1 4.26Å; K313-I322 HydrophobicContact CG-CD1 3.59Å
314K94.9Very high94.6Very high136 Ų13666 Ų6659%0.59133%0.326SS*.Hα-helixtrans-76.1-30.5177.3-60171.2-163.5165.40111.6S310 E311 V312S310-K314 WeakPolarHBondContact O-CG 3.46Å; E311-K314 WeakPolarHBondContact O-CB 3.37Å; E311-K314 PolarHBondContact O-N 3.14Å; E311-K314 IonicContact OE1-NZ 2.97Å; E311-K314 PolarHBondContact OE1-NZ 3.48Å; E311-K314 WeakPolarHBondContact OE2-CD 3.34Å; E311-K314 WeakPolarHBondContact OE2-CE 3.31Å; E311-K314 IonicContact OE2-NZ 3.19Å; E311-K314 PolarHBondContact OE2-NZ 3.49Å; V312-K314 PolarHBondContact O-N 3.35Å
315L95.5Very high94.6Very high73 Ų7367.9 Ų67.938%0.38234%0.338SS..Hα-helixtrans-92.3-31.7-177.3-59.9179.5000113E271 A274 E311 V312E271-L315 HydrophobicContact CG-CD1 3.92Å; A274-L315 HydrophobicContact CB-CB 3.88Å; A274-L315 HydrophobicContact CB-CD1 3.79Å; E311-L315 PolarHBondContact O-N 3.4Å; V312-L315 PolarHBondContact O-N 3.46Å; V312-L315 VanDerWaalsContact O-N 3.16Å
316A93.4Very high94.6Very high11 Ų1168.9 Ų68.99%0.09134%0.344CS..SBendtrans-76.2153-177.200000112.6Y289 V312 I322Y289-A316 HydrophobicContact CD1-CB 4.32Å; Y289-A316 HydrophobicContact CE1-CB 3.78Å; Y289-A316 HydrophobicContact CE2-CB 4.45Å; V312-A316 VanDerWaalsContact O-CB 3.24Å; V312-A316 WeakPolarHBondContact O-CB 3.49Å; V312-A316 PolarHBondContact O-N 2.97Å; A316-I322 HydrophobicContact CB-CD1 3.8Å; A316-I322 HydrophobicContact CB-CG1 4.42Å
317P91.1Very high94.4Very high72 Ų7264.4 Ų64.447%0.46832%0.321SS..  trans-56.7138.7170.8-23.632.8000112.7D319 I320P317-D319 PolarHBondContact O-N 3.17Å; P317-D319 VanDerWaalsContact O-N 3.12Å; P317-I320 HydrophobicContact CB-CD1 3.89Å; P317-I320 HydrophobicContact CB-CG1 4.12Å; P317-I320 HydrophobicContact CG-CD1 3.75Å; P317-I320 PolarHBondContact O-N 3.25Å
318K87.2Confident94Very high209 Ų20972.3 Ų72.391%0.90936%0.359SS*.THydrogen-bonded Turntrans-60.6-25.6-173-65.8-176.4179.7178.90114.5I320K318-I320 VanDerWaalsContact C-N 3.34Å
319D88Confident93.4Very high143 Ų14377.2 Ų77.277%0.76538%0.382SS*.THydrogen-bonded Turntrans-903-174.9-51.4-44.1000113.6P317P317-D319 PolarHBondContact O-N 3.17Å; P317-D319 VanDerWaalsContact O-N 3.12Å
320I92.7Very high93Very high35 Ų3576.9 Ų76.918%0.17938%0.377CS..PPolyproline II helixtrans-101.8129.6-177.1-61.2-178.7000110.3Y289 P317 K318 I322Y289-I320 VanDerWaalsContact CB-CG2 3.44Å; Y289-I320 HydrophobicContact CD2-CD1 3.94Å; Y289-I320 HydrophobicContact CD2-CG2 3.92Å; Y289-I320 HydrophobicContact CE2-CD1 4.33Å; Y289-I320 HydrophobicContact CG-CG2 3.9Å; P317-I320 HydrophobicContact CB-CD1 3.89Å; P317-I320 HydrophobicContact CB-CG1 4.12Å; P317-I320 HydrophobicContact CG-CD1 3.75Å; P317-I320 PolarHBondContact O-N 3.25Å; K318-I320 VanDerWaalsContact C-N 3.34Å; I320-I322 PolarHBondContact O-N 2.96Å
321K94.4Very high92.4Very high115 Ų11576.7 Ų76.750%0.537%0.372SS..PPolyproline II helixtrans-79119.2172.4-175.4174.3-175.9172.90109.2E290 R323E290-K321 HydrophobicContact CG-CB 4.26Å; E290-K321 WeakPolarHBondContact CG-O 3.19Å; K321-R323 HydrophobicContact CD-CG 4.48Å; K321-R323 HydrophobicContact CG-CG 4.26Å
322I97.1Very high91.8Very high23 Ų2377.4 Ų77.412%0.11838%0.375CS..PPolyproline II helixtrans-91.2128174.2-61.1158.9000108.9Y289 I292 L309 V312 K313 A316 I320 I324Y289-I322 HydrophobicContact CD1-CG1 4.16Å; Y289-I322 WeakPolarHBondContact O-CA 3.47Å; I292-I322 HydrophobicContact CD1-CG2 3.82Å; L309-I322 HydrophobicContact CD1-CB 3.9Å; L309-I322 HydrophobicContact CD1-CG2 3.51Å; V312-I322 HydrophobicContact CG1-CD1 3.89Å; V312-I322 HydrophobicContact CG1-CG1 4.49Å; V312-I322 HydrophobicContact CG1-CG2 4.43Å; K313-I322 HydrophobicContact CB-CD1 4.26Å; K313-I322 HydrophobicContact CG-CD1 3.59Å; A316-I322 HydrophobicContact CB-CD1 3.8Å; A316-I322 HydrophobicContact CB-CG1 4.42Å; I320-I322 PolarHBondContact O-N 2.96Å; I322-I324 HydrophobicContact CG2-CG1 4.2Å
323R97.2Very high91.3Very high132 Ų13277.4 Ų77.450%0.49838%0.375SS..  trans-128.4127.4171.3-55.2179.6179.5-139.86.9110Y289 E290 I292 K321Y289-R323 PolarHBondContact O-N 2.94Å; E290-R323 WeakPolarHBondContact O-CB 3.45Å; I292-R323 WeakPolarHBondContact CB-O 3.28Å; I292-R323 PolarHBondContact N-O 2.85Å; I292-R323 VanDerWaalsContact N-O 3.09Å; K321-R323 HydrophobicContact CD-CG 4.48Å; K321-R323 HydrophobicContact CG-CG 4.26Å
324I97.3Very high90.8Very high42 Ų4271.2 Ų71.222%0.21535%0.349CS..EExtended strand (participates in β ladder)trans-113.2125.9178.7-56.8178.9000107.8I292 L294 L308 L309 I322I292-I324 HydrophobicContact CB-CG1 4.2Å; I292-I324 HydrophobicContact CD1-CG1 4.24Å; I292-I324 HydrophobicContact CG2-CG1 4.21Å; I292-I324 HydrophobicContact CG2-CG2 4.29Å; L294-I324 HydrophobicContact CD1-CG2 3.78Å; L294-I324 HydrophobicContact CD2-CG2 3.93Å; L294-I324 HydrophobicContact CG-CG2 3.58Å; L308-I324 HydrophobicContact CB-CD1 4.47Å; L308-I324 HydrophobicContact CD2-CD1 4.02Å; L308-I324 HydrophobicContact CG-CD1 4.13Å; L309-I324 HydrophobicContact CB-CD1 3.87Å; L309-I324 HydrophobicContact CD1-CD1 4.1Å; L309-I324 HydrophobicContact CD1-CG1 4.47Å; I322-I324 HydrophobicContact CG2-CG1 4.2Å
325T96.4Very high90.1Very high40 Ų4066 Ų6625%0.24533%0.325CS..EExtended strand (participates in β ladder)trans-103.3121.2173.1-52.10000108R151 I292 V293 L294R151-T325 PolarHBondContact NH1-OG1 2.88Å; R151-T325 PolarHBondContact NH2-OG1 3.5Å; R151-T325 VanDerWaalsContact NH2-OG1 3.11Å; I292-T325 PolarHBondContact O-N 3.11Å; V293-T325 WeakPolarHBondContact CA-O 3.34Å; L294-T325 PolarHBondContact N-O 3.26Å
326A94.8Very high89.5Confident45 Ų4564.5 Ų64.537%0.37232%0.317SS..  trans-125.689.317800000109.3L294L294-A326 HydrophobicContact CB-CB 4.29Å; L294-A326 HydrophobicContact CD1-CB 4Å; L294-A326 HydrophobicContact CG-CB 4.32Å
327P90.8Very high89.1Confident23 Ų2364 Ų6415%0.14931%0.313CS..  trans-54.6149.4172.8-22.933.9000111.2T149 E329 R330T149-P327 HydrophobicContact CG2-CG 4.06Å; P327-E329 VanDerWaalsContact C-N 3.33Å; P327-E329 HydrophobicContact CB-CG 4.5Å; P327-R330 HydrophobicContact CB-CB 4.26Å; P327-R330 VanDerWaalsContact O-CB 3.24Å; P327-R330 WeakPolarHBondContact O-CB 3Å; P327-R330 WeakPolarHBondContact O-CD 3.13Å; P327-R330 WeakPolarHBondContact O-CG 3.48Å; P327-R330 PolarHBondContact O-N 3.07Å; P327-R330 PolarHBondContact O-NH1 2.75Å
328Q86.7Confident88.7Confident177 Ų17760.6 Ų60.683%0.82729%0.29SS*.THydrogen-bonded Turntrans-70.2-38.7179.2-70.8-173.7-13.300110.4R330Q328-R330 PolarHBondContact O-N 3.31Å
329E83.8Confident88.4Confident103 Ų10351.4 Ų51.448%0.48125%0.253SS..THydrogen-bonded Turntrans-80.517.2175.967.9-84.2-152.800113.4P327 L331 F332 S333 I336P327-E329 VanDerWaalsContact C-N 3.33Å; P327-E329 HydrophobicContact CB-CG 4.5Å; E329-L331 PolarHBondContact O-N 2.97Å; E329-F332 WeakPolarHBondContact O-CA 3.43Å; E329-F332 PolarHBondContact O-N 3.35Å; E329-S333 PolarHBondContact O-N 3.21Å; E329-I336 HydrophobicContact CB-CD1 4.22Å; E329-I336 HydrophobicContact CG-CD1 3.52Å
330R88.4Confident88.2Confident35 Ų3548 Ų4813%0.13223%0.234CC..G310 helixtrans-61.7-15.1-176.666.7-174.9174-83.96.7115L294 G296 T299 L300 P327 Q328 F332 S333L294-R330 WeakPolarHBondContact O-CB 3.29Å; G296-R330 PolarHBondContact N-O 3.01Å; T299-R330 PolarHBondContact O-NE 3.39Å; T299-R330 PolarHBondContact O-NH2 3.26Å; T299-R330 VanDerWaalsContact OG1-CD 3.23Å; T299-R330 WeakPolarHBondContact OG1-CD 3.47Å; T299-R330 PolarHBondContact OG1-NE 2.97Å; L300-R330 HydrophobicContact CD2-CG 3.88Å; P327-R330 HydrophobicContact CB-CB 4.26Å; P327-R330 VanDerWaalsContact O-CB 3.24Å; P327-R330 WeakPolarHBondContact O-CB 3Å; P327-R330 WeakPolarHBondContact O-CD 3.13Å; P327-R330 WeakPolarHBondContact O-CG 3.48Å; P327-R330 PolarHBondContact O-N 3.07Å; P327-R330 PolarHBondContact O-NH1 2.75Å; Q328-R330 PolarHBondContact O-N 3.31Å; R330-F332 PolarHBondContact O-N 3.41Å; R330-S333 WeakPolarHBondContact CA-OG 3.38Å; R330-S333 PolarHBondContact O-N 3.27Å
331L83.7Confident87.8Confident41 Ų4146.8 Ų46.822%0.21523%0.227CC..G310 helixtrans-55.4-36.9165.8-166.361.6000111.6L16 L300 E329L16-L331 HydrophobicContact CD1-CD1 4.33Å; L16-L331 HydrophobicContact CD1-CD2 4.38Å; L16-L331 HydrophobicContact CD1-CG 4.07Å; L16-L331 HydrophobicContact CD2-CD1 3.35Å; L16-L331 HydrophobicContact CD2-CG 3.74Å; L16-L331 HydrophobicContact CG-CD1 4.43Å; L300-L331 HydrophobicContact CD1-CB 4.09Å; L300-L331 HydrophobicContact CD1-CD1 3.8Å; L300-L331 HydrophobicContact CD1-CD2 4.36Å; L300-L331 HydrophobicContact CD1-CG 4.32Å; E329-L331 PolarHBondContact O-N 2.97Å
332F82.4Confident87Confident40 Ų4042 Ų4218%0.17521%0.209CC..G310 helixtrans-108.612.4-174.8-49.1-66000112.6L16 Y41 E329 R330 T334 W335 I336L16-F332 HydrophobicContact CD1-CE1 4.1Å; Y41-F332 HydrophobicContact CD2-CZ 4.34Å; Y41-F332 HydrophobicContact CE2-CZ 4.35Å; E329-F332 WeakPolarHBondContact O-CA 3.43Å; E329-F332 PolarHBondContact O-N 3.35Å; R330-F332 PolarHBondContact O-N 3.41Å; F332-T334 VanDerWaalsContact C-N 3.28Å; F332-T334 PolarHBondContact O-N 2.91Å; F332-W335 HydrophobicContact CB-CB 4.47Å; F332-W335 WeakPolarHBondContact O-CA 3.41Å; F332-W335 WeakPolarHBondContact O-CB 3.22Å; F332-W335 PolarHBondContact O-N 3.42Å; F332-I336 HydrophobicContact CB-CD1 4.26Å; F332-I336 HydrophobicContact CB-CG1 4.41Å; F332-I336 WeakPolarHBondContact O-CG1 3.31Å; F332-I336 PolarHBondContact O-N 3.26Å
333S86.3Confident86.2Confident0 Ų044.6 Ų44.60%023%0.23CC..Hα-helixtrans-55.4-42.9-176.1-89.80000112.5S148 E329 R330 W335 I336 G337S148-S333 VanDerWaalsContact CB-O 3.31Å; S148-S333 WeakPolarHBondContact CB-O 3.32Å; S148-S333 WeakPolarHBondContact OG-CB 3.08Å; S148-S333 PolarHBondContact OG-OG 2.88Å; S148-S333 VanDerWaalsContact OG-OG 3.09Å; E329-S333 PolarHBondContact O-N 3.21Å; R330-S333 WeakPolarHBondContact CA-OG 3.38Å; R330-S333 PolarHBondContact O-N 3.27Å; S333-W335 VanDerWaalsContact C-N 3.34Å; S333-W335 PolarHBondContact O-N 3.12Å; S333-I336 PolarHBondContact O-N 3.19Å; S333-G337 PolarHBondContact O-N 3.23Å
334T83.7Confident85.5Confident1 Ų142.2 Ų42.21%0.00623%0.227CC..Hα-helixtrans-60.1-44.6175.8-55.30000111.8T110 Q141 L144 S145 F332 G337 G338T110-T334 HydrophobicContact CG2-CG2 3.94Å; Q141-T334 HydrophobicContact CB-CG2 3.99Å; Q141-T334 HydrophobicContact CG-CG2 3.97Å; L144-T334 HydrophobicContact CB-CG2 4.12Å; L144-T334 WeakPolarHBondContact CB-O 3.39Å; L144-T334 HydrophobicContact CD1-CG2 4.05Å; S145-T334 PolarHBondContact OG-N 2.76Å; S145-T334 PolarHBondContact OG-OG1 3.41Å; F332-T334 VanDerWaalsContact C-N 3.28Å; F332-T334 PolarHBondContact O-N 2.91Å; T334-G337 PolarHBondContact O-N 2.63Å; T334-G338 PolarHBondContact O-N 3.23Å
335W80.3Confident84.6Confident27 Ų2747 Ų4710%0.10225%0.252CS..Hα-helixtrans-63.1-48.9177.7-176.496.6000111.9A23 V33 F37 F332 S333 G337 G338 S339A23-W335 HydrophobicContact CB-CB 4Å; A23-W335 HydrophobicContact CB-CG 4.29Å; A23-W335 PolarHBondContact O-NE1 3.08Å; V33-W335 HydrophobicContact CG1-CH2 4.27Å; F37-W335 HydrophobicContact CB-CH2 3.88Å; F37-W335 HydrophobicContact CB-CZ2 3.7Å; F37-W335 AromaticContact CD2-CD2 3.75Å; F37-W335 HydrophobicContact CD2-CD2 3.75Å; F37-W335 AromaticContact CD2-CE2 3.7Å; F37-W335 AromaticContact CD2-CE3 3.62Å; F37-W335 HydrophobicContact CD2-CE3 3.62Å; F37-W335 AromaticContact CD2-CH2 3.5Å; F37-W335 HydrophobicContact CD2-CH2 3.5Å; F37-W335 VanDerWaalsContact CD2-CH2 3.5Å; F37-W335 AromaticContact CD2-CZ2 3.62Å; F37-W335 HydrophobicContact CD2-CZ2 3.62Å; F37-W335 AromaticContact CD2-CZ3 3.48Å; F37-W335 HydrophobicContact CD2-CZ3 3.48Å; F37-W335 VanDerWaalsContact CD2-CZ3 3.48Å; F37-W335 HydrophobicContact CE2-CD2 4.2Å; F37-W335 AromaticContact CE2-CE3 3.81Å; F37-W335 HydrophobicContact CE2-CE3 3.81Å; F37-W335 HydrophobicContact CE2-CH2 4.35Å; F37-W335 AromaticContact CE2-CZ3 3.89Å; F37-W335 HydrophobicContact CE2-CZ3 3.89Å; F37-W335 AromaticContact CG-CH2 3.98Å; F37-W335 HydrophobicContact CG-CH2 3.98Å; F37-W335 HydrophobicContact CG-CZ2 4.1Å; F37-W335 HydrophobicContact CG-CZ3 4.33Å; F332-W335 HydrophobicContact CB-CB 4.47Å; F332-W335 WeakPolarHBondContact O-CA 3.41Å; F332-W335 WeakPolarHBondContact O-CB 3.22Å; F332-W335 PolarHBondContact O-N 3.42Å; S333-W335 VanDerWaalsContact C-N 3.34Å; S333-W335 PolarHBondContact O-N 3.12Å; W335-G337 VanDerWaalsContact C-N 3.29Å; W335-G337 PolarHBondContact O-N 3.25Å; W335-G338 PolarHBondContact O-N 2.91Å; W335-G338 VanDerWaalsContact O-N 3.14Å; W335-S339 PolarHBondContact O-N 2.81Å
336I83.9Confident83.9Confident41 Ų4149.3 Ų49.321%0.2127%0.267CS..Hα-helixtrans-58.9-45.3179.4-65.8166.7000109.6E329 F332 S333 S339 I340E329-I336 HydrophobicContact CB-CD1 4.22Å; E329-I336 HydrophobicContact CG-CD1 3.52Å; F332-I336 HydrophobicContact CB-CD1 4.26Å; F332-I336 HydrophobicContact CB-CG1 4.41Å; F332-I336 WeakPolarHBondContact O-CG1 3.31Å; F332-I336 PolarHBondContact O-N 3.26Å; S333-I336 PolarHBondContact O-N 3.19Å; I336-S339 PolarHBondContact O-N 2.96Å; I336-I340 HydrophobicContact CG2-CD1 3.95Å; I336-I340 VanDerWaalsContact O-CG1 3.3Å; I336-I340 WeakPolarHBondContact O-CG1 3.47Å; I336-I340 PolarHBondContact O-N 2.77Å
337G85.8Confident83.2Confident0 Ų047.3 Ų47.30%025%0.25CC..Hα-helixtrans-58.7-46174.100000113.9L144 S333 T334 W335 S339 I340 L341L144-G337 WeakPolarHBondContact O-CA 3.42Å; S333-G337 PolarHBondContact O-N 3.23Å; T334-G337 PolarHBondContact O-N 2.63Å; W335-G337 VanDerWaalsContact C-N 3.29Å; W335-G337 PolarHBondContact O-N 3.25Å; G337-S339 VanDerWaalsContact C-N 3.34Å; G337-S339 PolarHBondContact O-N 3.31Å; G337-I340 PolarHBondContact O-N 2.92Å; G337-L341 WeakPolarHBondContact O-CB 3.38Å; G337-L341 PolarHBondContact O-N 3.21Å
338G81.1Confident82.4Confident0 Ų053.4 Ų53.40%027%0.27CS..Hα-helixtrans-60.4-42.3174.800000112.4T334 W335 L341 A342T334-G338 PolarHBondContact O-N 3.23Å; W335-G338 PolarHBondContact O-N 2.91Å; W335-G338 VanDerWaalsContact O-N 3.14Å; G338-L341 PolarHBondContact O-N 3.37Å; G338-A342 VanDerWaalsContact O-CB 3.24Å; G338-A342 WeakPolarHBondContact O-CB 3.45Å; G338-A342 PolarHBondContact O-N 2.82Å
339S80.9Confident82.1Confident16 Ų1653.3 Ų53.311%0.11227%0.266CS..Hα-helixtrans-64.9-40.7175.7-176.80000112.4V33 W335 I336 G337 S343V33-S339 WeakPolarHBondContact CG1-OG 3.24Å; W335-S339 PolarHBondContact O-N 2.81Å; I336-S339 PolarHBondContact O-N 2.96Å; G337-S339 VanDerWaalsContact C-N 3.34Å; G337-S339 PolarHBondContact O-N 3.31Å; S339-S343 WeakPolarHBondContact O-CB 3.31Å; S339-S343 PolarHBondContact O-N 3.4Å; S339-S343 PolarHBondContact O-OG 3.48Å
340I84.6Confident82.1Confident73 Ų7351.7 Ų51.737%0.37426%0.26SS..Hα-helixtrans-63.3-51.8175.3-69.7165.5000109.3Y147 I336 G337 A342 S343 L344Y147-I340 WeakPolarHBondContact O-CD1 3.41Å; I336-I340 HydrophobicContact CG2-CD1 3.95Å; I336-I340 VanDerWaalsContact O-CG1 3.3Å; I336-I340 WeakPolarHBondContact O-CG1 3.47Å; I336-I340 PolarHBondContact O-N 2.77Å; G337-I340 PolarHBondContact O-N 2.92Å; I340-A342 PolarHBondContact O-N 2.97Å; I340-S343 WeakPolarHBondContact O-CB 3.28Å; I340-S343 PolarHBondContact O-N 2.99Å; I340-S343 VanDerWaalsContact O-N 3.09Å; I340-L344 PolarHBondContact O-N 3.01Å
341L84.4Confident82Confident8 Ų852.6 Ų52.64%0.04226%0.263CS..Hα-helixtrans-57.8-48-178.5-17860.3000111.6L108 F137 L144 Y147 G337 G338 S343 L344 F347 M350L108-L341 HydrophobicContact CD1-CD2 4.18Å; F137-L341 HydrophobicContact CE1-CD2 3.92Å; L144-L341 HydrophobicContact CD2-CB 4.31Å; L144-L341 HydrophobicContact CD2-CD2 3.54Å; Y147-L341 HydrophobicContact CD2-CB 4.28Å; Y147-L341 HydrophobicContact CD2-CD1 4.38Å; Y147-L341 HydrophobicContact CE2-CD1 3.93Å; Y147-L341 HydrophobicContact CE2-CD2 4.22Å; Y147-L341 HydrophobicContact CE2-CG 4.47Å; G337-L341 WeakPolarHBondContact O-CB 3.38Å; G337-L341 PolarHBondContact O-N 3.21Å; G338-L341 PolarHBondContact O-N 3.37Å; L341-S343 PolarHBondContact O-N 3.03Å; L341-L344 HydrophobicContact CD1-CD1 4.11Å; L341-L344 WeakPolarHBondContact O-CB 3.35Å; L341-L344 PolarHBondContact O-N 3.14Å; L341-L344 VanDerWaalsContact O-N 3.12Å; L341-F347 HydrophobicContact CD1-CD2 3.95Å; L341-F347 HydrophobicContact CD1-CE2 4.43Å; L341-F347 HydrophobicContact CD2-CD2 4.21Å; L341-F347 HydrophobicContact CD2-CE2 3.86Å; L341-F347 HydrophobicContact CG-CD2 3.58Å; L341-F347 HydrophobicContact CG-CE2 3.71Å; L341-F347 VanDerWaalsContact O-CB 3.32Å; L341-F347 WeakPolarHBondContact O-CB 3.41Å; L341-F347 WeakPolarHBondContact O-CG 3.39Å; L341-M350 HydrophobicContact CD1-CE 3.87Å
342A77.7Confident82.3Confident15 Ų1550.7 Ų50.712%0.12425%0.253CS..Hα-helixtrans-67.6-19.9-179.900000113.9L27 G338 I340 L344 F347L27-A342 HydrophobicContact CB-CB 3.58Å; L27-A342 HydrophobicContact CD1-CB 4.42Å; L27-A342 HydrophobicContact CD2-CB 4.5Å; L27-A342 HydrophobicContact CG-CB 4.37Å; G338-A342 VanDerWaalsContact O-CB 3.24Å; G338-A342 WeakPolarHBondContact O-CB 3.45Å; G338-A342 PolarHBondContact O-N 2.82Å; I340-A342 PolarHBondContact O-N 2.97Å; A342-L344 VanDerWaalsContact C-N 3.34Å; A342-F347 HydrophobicContact CB-CD1 4.31Å; A342-F347 HydrophobicContact CB-CE1 4.28Å
343S80.8Confident82.7Confident78 Ų7850.7 Ų50.755%0.54526%0.258SS..THydrogen-bonded Turntrans-83-9.6175.9-59.50000113.2S339 I340 L341S339-S343 WeakPolarHBondContact O-CB 3.31Å; S339-S343 PolarHBondContact O-N 3.4Å; S339-S343 PolarHBondContact O-OG 3.48Å; I340-S343 WeakPolarHBondContact O-CB 3.28Å; I340-S343 PolarHBondContact O-N 2.99Å; I340-S343 VanDerWaalsContact O-N 3.09Å; L341-S343 PolarHBondContact O-N 3.03Å
344L82.1Confident83Confident82 Ų8253.1 Ų53.143%0.42927%0.269SS..SBendtrans-75.8133.6178.4-58.6179.6000110.9I340 L341 A342 T346 F347I340-L344 PolarHBondContact O-N 3.01Å; L341-L344 HydrophobicContact CD1-CD1 4.11Å; L341-L344 WeakPolarHBondContact O-CB 3.35Å; L341-L344 PolarHBondContact O-N 3.14Å; L341-L344 VanDerWaalsContact O-N 3.12Å; A342-L344 VanDerWaalsContact C-N 3.34Å; L344-T346 PolarHBondContact O-N 2.92Å; L344-F347 HydrophobicContact CB-CB 4.37Å; L344-F347 WeakPolarHBondContact O-CB 3.21Å; L344-F347 PolarHBondContact O-N 2.81Å
345D79Confident83.5Confident142 Ų14259.7 Ų59.776%0.75930%0.297SS*.G310 helixtrans-61.3-29.9178.9-69.3-42.6000112.9F347D345-F347 VanDerWaalsContact C-N 3.25Å; D345-F347 PolarHBondContact O-N 2.86Å
346T80.9Confident84.1Confident88 Ų8859.9 Ų59.954%0.5430%0.299SS..G310 helixtrans-71.1-19.4176.452.10000113L344 R348 K349L344-T346 PolarHBondContact O-N 2.92Å; T346-R348 VanDerWaalsContact C-N 3.26Å; T346-R348 PolarHBondContact O-N 3.41Å; T346-K349 WeakPolarHBondContact O-CB 3.47Å; T346-K349 PolarHBondContact O-N 3.45Å; T346-K349 VanDerWaalsContact O-N 3.07Å
347F79.2Confident84.6Confident4 Ų458.7 Ų58.72%0.01829%0.292CS..G310 helixtrans-60-35-176.5-174.4-108.1000113.2L108 F137 L341 A342 L344 D345 K349 M350 W351L108-F347 HydrophobicContact CD1-CE1 4.37Å; L108-F347 HydrophobicContact CD1-CE2 3.96Å; L108-F347 HydrophobicContact CD1-CZ 3.58Å; L108-F347 HydrophobicContact CG-CZ 4.24Å; F137-F347 HydrophobicContact CB-CE2 4.35Å; F137-F347 HydrophobicContact CB-CZ 3.74Å; F137-F347 AromaticContact CD1-CE2 3.45Å; F137-F347 HydrophobicContact CD1-CE2 3.45Å; F137-F347 VanDerWaalsContact CD1-CE2 3.45Å; F137-F347 AromaticContact CD1-CZ 3.58Å; F137-F347 HydrophobicContact CD1-CZ 3.58Å; F137-F347 AromaticContact CE1-CE2 3.78Å; F137-F347 HydrophobicContact CE1-CE2 3.78Å; F137-F347 HydrophobicContact CE1-CZ 4.37Å; F137-F347 AromaticContact CG-CE2 3.86Å; F137-F347 HydrophobicContact CG-CE2 3.86Å; F137-F347 AromaticContact CG-CZ 3.76Å; F137-F347 HydrophobicContact CG-CZ 3.76Å; F137-F347 HydrophobicContact CZ-CE2 4.45Å; L341-F347 HydrophobicContact CD1-CD2 3.95Å; L341-F347 HydrophobicContact CD1-CE2 4.43Å; L341-F347 HydrophobicContact CD2-CD2 4.21Å; L341-F347 HydrophobicContact CD2-CE2 3.86Å; L341-F347 HydrophobicContact CG-CD2 3.58Å; L341-F347 HydrophobicContact CG-CE2 3.71Å; L341-F347 VanDerWaalsContact O-CB 3.32Å; L341-F347 WeakPolarHBondContact O-CB 3.41Å; L341-F347 WeakPolarHBondContact O-CG 3.39Å; A342-F347 HydrophobicContact CB-CD1 4.31Å; A342-F347 HydrophobicContact CB-CE1 4.28Å; L344-F347 HydrophobicContact CB-CB 4.37Å; L344-F347 WeakPolarHBondContact O-CB 3.21Å; L344-F347 PolarHBondContact O-N 2.81Å; D345-F347 VanDerWaalsContact C-N 3.25Å; D345-F347 PolarHBondContact O-N 2.86Å; F347-K349 PolarHBondContact O-N 3.48Å; F347-M350 HydrophobicContact CB-CE 4.31Å; F347-M350 HydrophobicContact CD2-CE 3.43Å; F347-M350 VanDerWaalsContact CD2-CE 3.43Å; F347-M350 HydrophobicContact CE2-CE 4.13Å; F347-M350 HydrophobicContact CG-CE 4.32Å; F347-M350 WeakPolarHBondContact O-CB 3.12Å; F347-M350 PolarHBondContact O-N 3.46Å; F347-W351 HydrophobicContact CD1-CE3 4.35Å; F347-W351 HydrophobicContact CE1-CE3 4.15Å
348R75.3Confident85Confident151 Ų15164.7 Ų64.757%0.5732%0.32SS*.G310 helixtrans-61-16.4178-59.8-171.4173.7-166.4-5.3114.1T346 W351T346-R348 VanDerWaalsContact C-N 3.26Å; T346-R348 PolarHBondContact O-N 3.41Å; R348-W351 HydrophobicContact CB-CH2 4.05Å; R348-W351 HydrophobicContact CB-CZ2 3.66Å; R348-W351 HydrophobicContact CG-CH2 3.62Å; R348-W351 HydrophobicContact CG-CZ2 3.75Å; R348-W351 HydrophobicContact CG-CZ3 4.26Å; R348-W351 VanDerWaalsContact O-CD1 3.25Å; R348-W351 VanDerWaalsContact O-CE2 3.31Å; R348-W351 PolarHBondContact O-NE1 3.32Å
349K80.9Confident85.7Confident174 Ų17470.3 Ų70.376%0.75735%0.35SS*.G310 helixtrans-87.3-15.2176.3-60.2-177.8-178.5178.80112.2T346 F347T346-K349 WeakPolarHBondContact O-CB 3.47Å; T346-K349 PolarHBondContact O-N 3.45Å; T346-K349 VanDerWaalsContact O-N 3.07Å; F347-K349 PolarHBondContact O-N 3.48Å
350M83.8Confident86.2Confident69 Ų6973 Ų7334%0.3436%0.361SS..THydrogen-bonded Turntrans-92.3-31.9-173-60.6-164.6-71.900113F137 L341 F347 K368F137-M350 HydrophobicContact CD2-CB 4.12Å; F137-M350 HydrophobicContact CE2-CB 3.86Å; L341-M350 HydrophobicContact CD1-CE 3.87Å; F347-M350 HydrophobicContact CB-CE 4.31Å; F347-M350 HydrophobicContact CD2-CE 3.43Å; F347-M350 VanDerWaalsContact CD2-CE 3.43Å; F347-M350 HydrophobicContact CE2-CE 4.13Å; F347-M350 HydrophobicContact CG-CE 4.32Å; F347-M350 WeakPolarHBondContact O-CB 3.12Å; F347-M350 PolarHBondContact O-N 3.46Å; M350-K368 VanDerWaalsContact O-CD 3.23Å; M350-K368 WeakPolarHBondContact O-CD 3.02Å; M350-K368 PolarHBondContact O-NZ 3.48Å
351W85.6Confident86.5Confident54 Ų5470.8 Ų70.821%0.20536%0.356CS..SBendtrans-63.8155.3179.15835.7000113.4A28 P106 A135 F137 F347 R348 K368A28-W351 HydrophobicContact CB-CH2 4.3Å; A28-W351 HydrophobicContact CB-CZ3 3.77Å; P106-W351 HydrophobicContact CB-CE3 4Å; P106-W351 HydrophobicContact CB-CZ3 3.96Å; P106-W351 HydrophobicContact CG-CE3 4.11Å; P106-W351 HydrophobicContact CG-CH2 4.09Å; P106-W351 HydrophobicContact CG-CZ3 3.56Å; A135-W351 HydrophobicContact CB-CB 4.05Å; A135-W351 HydrophobicContact CB-CD2 3.89Å; A135-W351 HydrophobicContact CB-CE3 4.41Å; A135-W351 HydrophobicContact CB-CG 3.72Å; F137-W351 HydrophobicContact CB-CB 4.15Å; F347-W351 HydrophobicContact CD1-CE3 4.35Å; F347-W351 HydrophobicContact CE1-CE3 4.15Å; R348-W351 HydrophobicContact CB-CH2 4.05Å; R348-W351 HydrophobicContact CB-CZ2 3.66Å; R348-W351 HydrophobicContact CG-CH2 3.62Å; R348-W351 HydrophobicContact CG-CZ2 3.75Å; R348-W351 HydrophobicContact CG-CZ3 4.26Å; R348-W351 VanDerWaalsContact O-CD1 3.25Å; R348-W351 VanDerWaalsContact O-CE2 3.31Å; R348-W351 PolarHBondContact O-NE1 3.32Å; W351-K368 PolarHBondContact O-NZ 2.89Å
352I89.8Confident86.8Confident1 Ų172.7 Ų72.71%0.00537%0.366CS..EExtended strand (participates in β ladder)trans-92.3121.9171.4-60.8171.9000106.7F128 A135 L136 E356 A364 I365 K368 F369F128-I352 HydrophobicContact CE2-CG2 4.36Å; F128-I352 HydrophobicContact CZ-CB 4.26Å; F128-I352 HydrophobicContact CZ-CG2 4.07Å; F128-I352 WeakPolarHBondContact CZ-O 3.36Å; A135-I352 CarbonylContact C-O 3.58Å; A135-I352 WeakPolarHBondContact CA-O 3.46Å; A135-I352 WeakPolarHBondContact CB-O 3.23Å; L136-I352 PolarHBondContact N-O 3.28Å; L136-I352 PolarHBondContact O-N 3.27Å; I352-E356 HydrophobicContact CG2-CB 4.19Å; I352-E356 HydrophobicContact CG2-CG 4.26Å; I352-A364 WeakPolarHBondContact CD1-O 3.46Å; I352-A364 HydrophobicContact CG2-CB 3.93Å; I352-I365 HydrophobicContact CD1-CB 4.43Å; I352-I365 HydrophobicContact CD1-CD1 3.48Å; I352-I365 VanDerWaalsContact CD1-CD1 3.48Å; I352-I365 HydrophobicContact CD1-CG1 4.43Å; I352-I365 HydrophobicContact CG2-CD1 4.42Å; I352-K368 HydrophobicContact CD1-CB 4.3Å; I352-K368 HydrophobicContact CD1-CD 4.35Å; I352-K368 HydrophobicContact CD1-CG 4.43Å; I352-K368 HydrophobicContact CG1-CB 4.48Å; I352-K368 HydrophobicContact CG1-CD 3.66Å; I352-K368 HydrophobicContact CG1-CG 4.21Å; I352-F369 HydrophobicContact CD1-CD2 4.4Å; I352-F369 HydrophobicContact CD1-CE2 3.56Å; I352-F369 HydrophobicContact CD1-CZ 4.08Å
353S91.6Very high87.3Confident41 Ų4181.4 Ų81.429%0.28740%0.396SS..EExtended strand (participates in β ladder)trans-77.4154.7177.169.70000110.9K355 E356 Y357S353-K355 PolarHBondContact O-N 3.25Å; S353-E356 WeakPolarHBondContact O-CB 3.49Å; S353-E356 PolarHBondContact O-N 3.03Å; S353-E356 WeakPolarHBondContact OG-CB 3.23Å; S353-E356 PolarHBondContact OG-N 2.9Å; S353-E356 VanDerWaalsContact OG-N 3.12Å; S353-Y357 PolarHBondContact O-N 3.4Å
354K92.2Very high87.6Confident50 Ų5077.7 Ų77.722%0.21737%0.37CS..Hα-helixtrans-54.2-40.1174.1-170.6177-173.2-178.80112F128 N132 P134 Y357 E358F128-K354 HydrophobicContact CD1-CB 4.06Å; F128-K354 HydrophobicContact CD1-CG 4.08Å; F128-K354 HydrophobicContact CE1-CB 4.16Å; N132-K354 PolarHBondContact OD1-NZ 2.64Å; P134-K354 PolarHBondContact O-N 3.07Å; K354-Y357 CarbonylContact O-C 3.59Å; K354-Y357 WeakPolarHBondContact O-CB 3.44Å; K354-Y357 PolarHBondContact O-N 2.98Å; K354-E358 VanDerWaalsContact CE-OE1 3.23Å; K354-E358 WeakPolarHBondContact CE-OE1 3.33Å; K354-E358 HydrophobicContact CG-CG 4.38Å; K354-E358 WeakPolarHBondContact O-CG 3.44Å; K354-E358 PolarHBondContact O-N 3.42Å
355K94Very high87.8Confident140 Ų14073.8 Ų73.861%0.60935%0.349SS*.Hα-helixtrans-61.4-45.3175.1-175.4179.8178.1-177.60112.6S353 Y357 E358 D359S353-K355 PolarHBondContact O-N 3.25Å; K355-Y357 VanDerWaalsContact C-N 3.26Å; K355-Y357 PolarHBondContact O-N 2.8Å; K355-E358 PolarHBondContact O-N 3.15Å; K355-D359 WeakPolarHBondContact O-CB 3.32Å; K355-D359 VanDerWaalsContact O-CG 3.24Å; K355-D359 PolarHBondContact O-N 3.32Å
356E93.1Very high88.1Confident31 Ų3169.5 Ų69.515%0.14533%0.325CS..Hα-helixtrans-61.4-37.9176.7-172.9-177.7179.700111.2I352 S353 E360 A364 R367 K368I352-E356 HydrophobicContact CG2-CB 4.19Å; I352-E356 HydrophobicContact CG2-CG 4.26Å; S353-E356 WeakPolarHBondContact O-CB 3.49Å; S353-E356 PolarHBondContact O-N 3.03Å; S353-E356 WeakPolarHBondContact OG-CB 3.23Å; S353-E356 PolarHBondContact OG-N 2.9Å; S353-E356 VanDerWaalsContact OG-N 3.12Å; E356-E360 PolarHBondContact O-N 2.72Å; E356-A364 HydrophobicContact CG-CB 3.98Å; E356-R367 IonicContact OE1-CZ 3.79Å; E356-R367 IonicContact OE1-NH2 3.85Å; E356-R367 PolarHBondContact OE1-NH2 3.23Å; E356-K368 WeakPolarHBondContact OE1-CE 3.4Å; E356-K368 IonicContact OE1-NZ 3.85Å; E356-K368 IonicContact OE2-NZ 2.7Å; E356-K368 PolarHBondContact OE2-NZ 3.23Å
357Y93.8Very high88Confident15 Ų1572 Ų726%0.05932%0.324CS..Hα-helixtrans-68.2-42.2173.1178.7-95.4000112.8F128 E129 S353 K354 K355 D359 G361 L362 I365F128-Y357 HydrophobicContact CB-CD1 3.55Å; F128-Y357 HydrophobicContact CB-CE1 3.63Å; F128-Y357 HydrophobicContact CB-CG 4.06Å; F128-Y357 HydrophobicContact CD1-CD1 4.49Å; F128-Y357 HydrophobicContact CD1-CG 4.41Å; F128-Y357 AromaticContact CD2-CD1 3.89Å; F128-Y357 HydrophobicContact CD2-CD1 3.89Å; F128-Y357 AromaticContact CD2-CD2 3.48Å; F128-Y357 HydrophobicContact CD2-CD2 3.48Å; F128-Y357 VanDerWaalsContact CD2-CD2 3.48Å; F128-Y357 HydrophobicContact CD2-CE1 4.3Å; F128-Y357 AromaticContact CD2-CE2 3.91Å; F128-Y357 HydrophobicContact CD2-CE2 3.91Å; F128-Y357 AromaticContact CD2-CG 3.46Å; F128-Y357 HydrophobicContact CD2-CG 3.46Å; F128-Y357 VanDerWaalsContact CD2-CG 3.46Å; F128-Y357 AromaticContact CE2-CD2 3.85Å; F128-Y357 HydrophobicContact CE2-CD2 3.85Å; F128-Y357 AromaticContact CE2-CG 3.91Å; F128-Y357 HydrophobicContact CE2-CG 3.91Å; F128-Y357 AromaticContact CG-CD1 3.75Å; F128-Y357 HydrophobicContact CG-CD1 3.75Å; F128-Y357 HydrophobicContact CG-CD2 4.21Å; F128-Y357 HydrophobicContact CG-CE1 4.23Å; F128-Y357 AromaticContact CG-CG 3.74Å; F128-Y357 HydrophobicContact CG-CG 3.74Å; E129-Y357 HydrophobicContact CG-CE1 3.96Å; E129-Y357 PolarHBondContact OE1-OH 3.1Å; S353-Y357 PolarHBondContact O-N 3.4Å; K354-Y357 CarbonylContact O-C 3.59Å; K354-Y357 WeakPolarHBondContact O-CB 3.44Å; K354-Y357 PolarHBondContact O-N 2.98Å; K355-Y357 VanDerWaalsContact C-N 3.26Å; K355-Y357 PolarHBondContact O-N 2.8Å; Y357-D359 VanDerWaalsContact C-N 3.34Å; Y357-D359 PolarHBondContact O-N 3.07Å; Y357-G361 WeakPolarHBondContact O-CA 3.03Å; Y357-G361 PolarHBondContact O-N 3.44Å; Y357-L362 HydrophobicContact CE2-CD2 4.19Å; Y357-I365 HydrophobicContact CD2-CD1 4.3Å; Y357-I365 HydrophobicContact CD2-CG1 4.49Å
358E95.1Very high87.8Confident127 Ų12775 Ų7559%0.59334%0.338SS*.Hα-helixtrans-66-35.9177.2-73.2168.9171.800112K354 K355K354-E358 VanDerWaalsContact CE-OE1 3.23Å; K354-E358 WeakPolarHBondContact CE-OE1 3.33Å; K354-E358 HydrophobicContact CG-CG 4.38Å; K354-E358 WeakPolarHBondContact O-CG 3.44Å; K354-E358 PolarHBondContact O-N 3.42Å; K355-E358 PolarHBondContact O-N 3.15Å
359D94.9Very high87.2Confident117 Ų11769.6 Ų69.663%0.62632%0.318SS*.Hα-helixtrans-76.3-40.2-179.1-70.8-23.2000112.6K355 Y357K355-D359 WeakPolarHBondContact O-CB 3.32Å; K355-D359 VanDerWaalsContact O-CG 3.24Å; K355-D359 PolarHBondContact O-N 3.32Å; Y357-D359 VanDerWaalsContact C-N 3.34Å; Y357-D359 PolarHBondContact O-N 3.07Å
360E92.5Very high86Confident73 Ų7370.2 Ų70.234%0.34132%0.321SS..Hα-helixtrans-113.1-10.7-173.3-59.8-175.2-15500114.6E356 R363 A364 R367E356-E360 PolarHBondContact O-N 2.72Å; E360-R363 HydrophobicContact CB-CB 4.45Å; E360-R363 WeakPolarHBondContact O-CB 3.42Å; E360-R363 PolarHBondContact O-N 3.01Å; E360-A364 HydrophobicContact CB-CB 4.11Å; E360-R367 VanDerWaalsContact CD-NH1 3.31Å; E360-R367 IonicContact OE1-CZ 3.25Å; E360-R367 VanDerWaalsContact OE1-CZ 3.25Å; E360-R367 IonicContact OE1-NH1 2.77Å; E360-R367 PolarHBondContact OE1-NH1 3.04Å; E360-R367 IonicContact OE1-NH2 3.68Å; E360-R367 PolarHBondContact OE1-NH2 2.72Å; E360-R367 IonicContact OE2-CZ 3.32Å; E360-R367 VanDerWaalsContact OE2-CZ 3.32Å; E360-R367 IonicContact OE2-NH1 3.02Å; E360-R367 PolarHBondContact OE2-NH1 3.32Å; E360-R367 IonicContact OE2-NH2 3.16Å; E360-R367 PolarHBondContact OE2-NH2 3.07Å
361G90.8Very high86.1Confident26 Ų2670.3 Ų70.327%0.26832%0.32SS..THydrogen-bonded Turntrans60.9-142.7-172.800000112.9Y357 R363 A364Y357-G361 WeakPolarHBondContact O-CA 3.03Å; Y357-G361 PolarHBondContact O-N 3.44Å; G361-R363 PolarHBondContact O-N 3.21Å; G361-A364 PolarHBondContact O-N 2.86Å; G361-A364 VanDerWaalsContact O-N 3.15Å
362L88.9Confident86.1Confident48 Ų4871.2 Ų71.225%0.25133%0.326SS..Hα-helixtrans-59.3-19.9177.3-63.3176.9000113.6E121 E125 Y357 A364 I365 H366E121-L362 HydrophobicContact CB-CD1 4.14Å; E121-L362 HydrophobicContact CB-CD2 3.85Å; E121-L362 HydrophobicContact CG-CD1 4.08Å; E121-L362 HydrophobicContact CG-CD2 4.07Å; E121-L362 HydrophobicContact CG-CG 4.49Å; E125-L362 HydrophobicContact CG-CD2 4.26Å; Y357-L362 HydrophobicContact CE2-CD2 4.19Å; L362-A364 VanDerWaalsContact C-N 3.26Å; L362-A364 PolarHBondContact O-N 3.12Å; L362-I365 WeakPolarHBondContact O-CB 3.39Å; L362-I365 PolarHBondContact O-N 3.03Å; L362-I365 VanDerWaalsContact O-N 3.1Å; L362-H366 PolarHBondContact O-CD2 3.48Å; L362-H366 PolarHBondContact O-N 2.83Å
363R89.2Confident85.9Confident198 Ų19875.1 Ų75.175%0.74734%0.344SS*.Hα-helixtrans-62.8-32.5177.1-62-176.369-179.80.6112.4E360 G361 I365 H366 R367E360-R363 HydrophobicContact CB-CB 4.45Å; E360-R363 WeakPolarHBondContact O-CB 3.42Å; E360-R363 PolarHBondContact O-N 3.01Å; G361-R363 PolarHBondContact O-N 3.21Å; R363-I365 VanDerWaalsContact C-N 3.29Å; R363-I365 PolarHBondContact O-N 3.24Å; R363-H366 PolarHBondContact O-N 2.62Å; R363-R367 PolarHBondContact O-N 3.39Å
364A87.8Confident85.6Confident0 Ų077.1 Ų77.10%035%0.348CS..Hα-helixtrans-60.6-40.9174.500000111.6I352 E356 E360 G361 L362I352-A364 WeakPolarHBondContact CD1-O 3.46Å; I352-A364 HydrophobicContact CG2-CB 3.93Å; E356-A364 HydrophobicContact CG-CB 3.98Å; E360-A364 HydrophobicContact CB-CB 4.11Å; G361-A364 PolarHBondContact O-N 2.86Å; G361-A364 VanDerWaalsContact O-N 3.15Å; L362-A364 VanDerWaalsContact C-N 3.26Å; L362-A364 PolarHBondContact O-N 3.12Å
365I85.6Confident85.2Confident0 Ų078.8 Ų78.80%036%0.356CS..Hα-helixtrans-61.7-50.6177-50.8-56.3000109.6R120 F128 I352 Y357 L362 R363 R367 K368 F369R120-I365 HydrophobicContact CG-CG2 4.13Å; F128-I365 HydrophobicContact CE2-CD1 4.09Å; I352-I365 HydrophobicContact CD1-CB 4.43Å; I352-I365 HydrophobicContact CD1-CD1 3.48Å; I352-I365 VanDerWaalsContact CD1-CD1 3.48Å; I352-I365 HydrophobicContact CD1-CG1 4.43Å; I352-I365 HydrophobicContact CG2-CD1 4.42Å; Y357-I365 HydrophobicContact CD2-CD1 4.3Å; Y357-I365 HydrophobicContact CD2-CG1 4.49Å; L362-I365 WeakPolarHBondContact O-CB 3.39Å; L362-I365 PolarHBondContact O-N 3.03Å; L362-I365 VanDerWaalsContact O-N 3.1Å; R363-I365 VanDerWaalsContact C-N 3.29Å; R363-I365 PolarHBondContact O-N 3.24Å; I365-R367 PolarHBondContact O-N 3.38Å; I365-K368 PolarHBondContact O-N 3.27Å; I365-F369 HydrophobicContact CG2-CD2 3.77Å; I365-F369 HydrophobicContact CG2-CE2 3.97Å; I365-F369 WeakPolarHBondContact O-CD2 3.34Å; I365-F369 PolarHBondContact O-N 2.7Å
366H85.2Confident84.6Confident53 Ų5374.7 Ų74.725%0.24534%0.339CS..Hα-helixtrans-63.5-40.3-178.9-59.8-58.2000113.1E121 L362 R363 K368 F369 F370E121-H366 IonicContact OE1-CE1 3.8Å; E121-H366 PolarHBondContact OE1-CE1 2.9Å; E121-H366 IonicContact OE1-NE2 2.89Å; E121-H366 PolarHBondContact OE1-NE2 3.03Å; L362-H366 PolarHBondContact O-CD2 3.48Å; L362-H366 PolarHBondContact O-N 2.83Å; R363-H366 PolarHBondContact O-N 2.62Å; H366-K368 VanDerWaalsContact C-N 3.29Å; H366-K368 PolarHBondContact O-N 3.44Å; H366-F369 PolarHBondContact O-N 3.02Å; H366-F370 HydrophobicContact CB-CD2 4.23Å; H366-F370 HydrophobicContact CB-CE2 4.47Å; H366-F370 AromaticContact ND1-CE2 3.86Å; H366-F370 VanDerWaalsContact O-CD2 3.28Å; H366-F370 WeakPolarHBondContact O-CD2 3.38Å; H366-F370 PolarHBondContact O-N 2.77Å
367R79.7Confident84Confident139 Ų13977.8 Ų77.853%0.52535%0.353SS..Hα-helixtrans-60.5-35.7-177.4-177.5176.666.4-158.6-2.9113.6E356 E360 R363 I365E356-R367 IonicContact OE1-CZ 3.79Å; E356-R367 IonicContact OE1-NH2 3.85Å; E356-R367 PolarHBondContact OE1-NH2 3.23Å; E360-R367 VanDerWaalsContact CD-NH1 3.31Å; E360-R367 IonicContact OE1-CZ 3.25Å; E360-R367 VanDerWaalsContact OE1-CZ 3.25Å; E360-R367 IonicContact OE1-NH1 2.77Å; E360-R367 PolarHBondContact OE1-NH1 3.04Å; E360-R367 IonicContact OE1-NH2 3.68Å; E360-R367 PolarHBondContact OE1-NH2 2.72Å; E360-R367 IonicContact OE2-CZ 3.32Å; E360-R367 VanDerWaalsContact OE2-CZ 3.32Å; E360-R367 IonicContact OE2-NH1 3.02Å; E360-R367 PolarHBondContact OE2-NH1 3.32Å; E360-R367 IonicContact OE2-NH2 3.16Å; E360-R367 PolarHBondContact OE2-NH2 3.07Å; R363-R367 PolarHBondContact O-N 3.39Å; I365-R367 PolarHBondContact O-N 3.38Å
368K73.3Confident83.2Confident69 Ų6982.6 Ų82.630%0.338%0.375SS..Hα-helixtrans-89.1-21.9-174.5-71.7-153.6-177.8176.10114.8M350 W351 I352 E356 I365 H366M350-K368 VanDerWaalsContact O-CD 3.23Å; M350-K368 WeakPolarHBondContact O-CD 3.02Å; M350-K368 PolarHBondContact O-NZ 3.48Å; W351-K368 PolarHBondContact O-NZ 2.89Å; I352-K368 HydrophobicContact CD1-CB 4.3Å; I352-K368 HydrophobicContact CD1-CD 4.35Å; I352-K368 HydrophobicContact CD1-CG 4.43Å; I352-K368 HydrophobicContact CG1-CB 4.48Å; I352-K368 HydrophobicContact CG1-CD 3.66Å; I352-K368 HydrophobicContact CG1-CG 4.21Å; E356-K368 WeakPolarHBondContact OE1-CE 3.4Å; E356-K368 IonicContact OE1-NZ 3.85Å; E356-K368 IonicContact OE2-NZ 2.7Å; E356-K368 PolarHBondContact OE2-NZ 3.23Å; I365-K368 PolarHBondContact O-N 3.27Å; H366-K368 VanDerWaalsContact C-N 3.29Å; H366-K368 PolarHBondContact O-N 3.44Å
369F64.5Low82.2Confident36 Ų3678.9 Ų78.916%0.15836%0.357CS..  trans-111.317.2-172.2-56.9-62000113.2F137 I138 I352 I365 H366F137-F369 AromaticContact CD2-CE1 3.87Å; F137-F369 HydrophobicContact CD2-CE1 3.87Å; F137-F369 HydrophobicContact CD2-CZ 4.2Å; F137-F369 AromaticContact CE2-CE1 3.79Å; F137-F369 HydrophobicContact CE2-CE1 3.79Å; F137-F369 HydrophobicContact CZ-CE1 4.46Å; I138-F369 HydrophobicContact CB-CE1 4.16Å; I138-F369 HydrophobicContact CB-CE2 4.26Å; I138-F369 HydrophobicContact CB-CZ 3.9Å; I138-F369 HydrophobicContact CG1-CE2 4.39Å; I138-F369 HydrophobicContact CG1-CZ 4.25Å; I138-F369 VanDerWaalsContact N-CZ 3.32Å; I138-F369 WeakPolarHBondContact O-CD1 2.95Å; I138-F369 WeakPolarHBondContact O-CE1 3.25Å; I352-F369 HydrophobicContact CD1-CD2 4.4Å; I352-F369 HydrophobicContact CD1-CE2 3.56Å; I352-F369 HydrophobicContact CD1-CZ 4.08Å; I365-F369 HydrophobicContact CG2-CD2 3.77Å; I365-F369 HydrophobicContact CG2-CE2 3.97Å; I365-F369 WeakPolarHBondContact O-CD2 3.34Å; I365-F369 PolarHBondContact O-N 2.7Å; H366-F369 PolarHBondContact O-N 3.02Å
370F54.4Low81.1Confident188 Ų18875.5 Ų75.583%0.82533%0.333SS*.  trans-127.80173.2-78.5-68.9000112.5L117 H366L117-F370 HydrophobicContact CD1-CZ 4.04Å; L117-F370 HydrophobicContact CD2-CE2 3.84Å; L117-F370 HydrophobicContact CD2-CZ 3.61Å; L117-F370 HydrophobicContact CG-CE2 4.29Å; L117-F370 HydrophobicContact CG-CZ 3.84Å; H366-F370 HydrophobicContact CB-CD2 4.23Å; H366-F370 HydrophobicContact CB-CE2 4.47Å; H366-F370 AromaticContact ND1-CE2 3.86Å; H366-F370 VanDerWaalsContact O-CD2 3.28Å; H366-F370 WeakPolarHBondContact O-CD2 3.38Å; H366-F370 PolarHBondContact O-N 2.77Å

Retrieved 370 of 370 residues in 2302.3 ms (Link to these results)

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