A0A3Q0KBJ8_SCHMA Loading...

Lysosomal Pro-Xaa carboxypeptidase (S28 family)

AlphaFold DB (G4VF49), UniProt , Accession A0A3Q0KBJ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 498 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
1M31.4Very low30.3Very low242 Ų242113.2 Ų113.2100%1.19262%0.615SS**  098.60-73.4168.681.500106.5
2I27.2Very low31.1Very low167 Ų167104.8 Ų104.886%0.85657%0.571SS**  trans-80.8121.1179.2-61170.1000106.1A4I2-A4 PolarHBondContact O-N 3.09Å
3P26.1Very low32.3Very low104 Ų10497.8 Ų97.868%0.67553%0.532SS*.  trans-67.4121.4175.128.2-29.1000107.4L5P3-L5 VanDerWaalsContact C-N 3.31Å; P3-L5 PolarHBondContact O-N 3.17Å
4A26.4Very low33.3Very low92 Ų9291.3 Ų91.376%0.7650%0.497SS*.  trans-62.997.5166.700000107.4I2 I6I2-A4 PolarHBondContact O-N 3.09Å; A4-I6 PolarHBondContact O-N 3.02Å
5L28.8Very low34.2Very low108 Ų10885.5 Ų85.557%0.56547%0.465SS*.  trans-61.7107167.1-87.8154.3000106.9P3 F7 V231P3-L5 VanDerWaalsContact C-N 3.31Å; P3-L5 PolarHBondContact O-N 3.17Å; L5-F7 PolarHBondContact O-N 3.34Å; L5-V231 HydrophobicContact CD1-CG1 4.33Å
6I26.6Very low34.9Very low142 Ų14280.2 Ų80.273%0.72844%0.437SS*.  trans-63.3103.3172.1-63.9170.2000105.8A4 S8A4-I6 PolarHBondContact O-N 3.02Å; I6-S8 VanDerWaalsContact C-N 3.31Å; I6-S8 PolarHBondContact O-N 3.08Å; I6-S8 PolarHBondContact O-OG 3.38Å
7F31.1Very low35.9Very low87 Ų8776.2 Ų76.238%0.38242%0.415SS..  trans-55.9101.4166.2-93.5-87.9000107.1L5 F9 P367L5-F7 PolarHBondContact O-N 3.34Å; F7-F9 VanDerWaalsContact C-N 3.35Å; F7-F9 PolarHBondContact O-N 2.85Å; F7-P367 HydrophobicContact CE2-CG 4.49Å
8S28.9Very low36.9Very low78 Ų7872.1 Ų72.155%0.54539%0.392SS..  trans-78.193.5179-56.60000106.7I6I6-S8 VanDerWaalsContact C-N 3.31Å; I6-S8 PolarHBondContact O-N 3.08Å; I6-S8 PolarHBondContact O-OG 3.38Å
9F31.2Very low37.9Very low140 Ų14068.5 Ų68.561%0.61437%0.373SS*.  trans55.881.4155.8-58.5-77.1000117.3F7 L11 T374F7-F9 VanDerWaalsContact C-N 3.35Å; F7-F9 PolarHBondContact O-N 2.85Å; F9-L11 PolarHBondContact O-N 3.07Å; F9-L11 VanDerWaalsContact O-N 3.16Å; F9-T374 HydrophobicContact CD1-CG2 3.63Å; F9-T374 HydrophobicContact CE1-CG2 3.78Å; F9-T374 WeakPolarHBondContact CE1-OG1 2.99Å; F9-T374 HydrophobicContact CG-CG2 4.42Å
10L34.1Very low39Very low26 Ų2665.6 Ų65.614%0.13636%0.357CS..  trans-66.3108.3151.5-78.7156.2000107.7P366 P367L10-P366 HydrophobicContact CD1-CB 3.96Å; L10-P366 HydrophobicContact CD1-CG 3.82Å; L10-P366 HydrophobicContact CD2-CG 4.18Å; L10-P367 VanDerWaalsContact CD1-O 3.24Å; L10-P367 WeakPolarHBondContact CD1-O 3.23Å
11L41.6Very low40.1Very low59 Ų5963.1 Ų63.131%0.30934%0.343SS..  trans-57.6133.4160.1-90154.6000106.7F9 L13 L17 Y375 Y378F9-L11 PolarHBondContact O-N 3.07Å; F9-L11 VanDerWaalsContact O-N 3.16Å; L11-L13 PolarHBondContact O-N 3.26Å; L11-L17 HydrophobicContact CB-CD1 4.38Å; L11-Y375 HydrophobicContact CD2-CD2 4.13Å; L11-Y378 HydrophobicContact CD1-CD2 3.98Å; L11-Y378 HydrophobicContact CD1-CE2 4.07Å; L11-Y378 HydrophobicContact CD1-CG 4.46Å; L11-Y378 HydrophobicContact CD2-CD1 4.05Å; L11-Y378 HydrophobicContact CD2-CD2 4.26Å; L11-Y378 HydrophobicContact CD2-CG 3.91Å
12P40Very low41.9Very low13 Ų1352.2 Ų52.28%0.08429%0.288CS..  trans-57.8130.9-174.420.4-26.2000109.1S14 L17 T356 W370 Y375P12-S14 PolarHBondContact O-N 2.94Å; P12-L17 WeakPolarHBondContact O-CD1 3.49Å; P12-T356 VanDerWaalsContact CA-OG1 3.3Å; P12-T356 WeakPolarHBondContact CA-OG1 3.39Å; P12-T356 WeakPolarHBondContact CB-OG1 3.34Å; P12-W370 HydrophobicContact CB-CE3 3.67Å; P12-W370 HydrophobicContact CB-CZ3 3.86Å; P12-W370 HydrophobicContact CG-CE3 3.45Å; P12-W370 VanDerWaalsContact CG-CE3 3.45Å; P12-W370 HydrophobicContact CG-CZ3 3.27Å; P12-Y375 HydrophobicContact CG-CD2 3.96Å; P12-Y375 HydrophobicContact CG-CE2 4.22Å
13L46.6Very low43.7Very low14 Ų1447.1 Ų47.17%0.07327%0.266CS..  trans-51.685.9172.4-81.9138.1000109.5L11 L18 F203 D265 T356 M365L11-L13 PolarHBondContact O-N 3.26Å; L13-L18 HydrophobicContact CD2-CD2 4Å; L13-F203 HydrophobicContact CB-CE1 4.37Å; L13-D265 VanDerWaalsContact CD2-OD1 3.31Å; L13-D265 WeakPolarHBondContact CD2-OD1 3.29Å; L13-T356 PolarHBondContact N-OG1 2.74Å; L13-T356 WeakPolarHBondContact O-CG2 3.3Å; L13-M365 HydrophobicContact CD1-CE 3.51Å; L13-M365 HydrophobicContact CD2-CE 3.94Å; L13-M365 HydrophobicContact CG-CE 4.4Å
14S45.8Very low45.4Very low6 Ų643.3 Ų43.34%0.04224%0.239CC..  trans-89.9153.8169.869.20000108P12 G16 L17 L18P12-S14 PolarHBondContact O-N 2.94Å; S14-G16 PolarHBondContact O-N 3.49Å; S14-L17 WeakPolarHBondContact O-CA 3.37Å; S14-L17 WeakPolarHBondContact O-CB 3.42Å; S14-L17 PolarHBondContact O-N 2.98Å; S14-L18 PolarHBondContact O-N 3.21Å
15F47.5Very low47.4Very low4 Ų440 Ų402%0.01821%0.209CC..Hα-helixtrans-54.9-28.2177.4-165-87.7000113L17 L18 T19 W24 E78 M272 W344 W417F15-L17 VanDerWaalsContact C-N 3.31Å; F15-L17 PolarHBondContact O-N 3.29Å; F15-L18 HydrophobicContact CD2-CD1 4.39Å; F15-L18 PolarHBondContact O-N 3.45Å; F15-T19 HydrophobicContact CD1-CG2 4.16Å; F15-T19 HydrophobicContact CE1-CG2 3.81Å; F15-T19 PolarHBondContact O-N 2.99Å; F15-T19 VanDerWaalsContact O-N 3.11Å; F15-T19 PolarHBondContact O-OG1 3.42Å; F15-W24 AromaticContact CE1-CH2 3.91Å; F15-W24 HydrophobicContact CE1-CH2 3.91Å; F15-W24 AromaticContact CE1-CZ2 3.72Å; F15-W24 HydrophobicContact CE1-CZ2 3.72Å; F15-W24 AromaticContact CZ-CH2 3.76Å; F15-W24 HydrophobicContact CZ-CH2 3.76Å; F15-W24 HydrophobicContact CZ-CZ2 4.07Å; F15-E78 HydrophobicContact CD1-CG 3.84Å; F15-E78 WeakPolarHBondContact CD1-OE1 3.47Å; F15-E78 HydrophobicContact CE1-CG 3.78Å; F15-E78 WeakPolarHBondContact CE1-OE1 3.36Å; F15-E78 WeakPolarHBondContact CZ-OE1 3.47Å; F15-M272 HydrophobicContact CD2-SD 4.15Å; F15-M272 HydrophobicContact CE2-CE 3.81Å; F15-M272 HydrophobicContact CE2-SD 3.56Å; F15-M272 VanDerWaalsContact CE2-SD 3.56Å; F15-M272 HydrophobicContact CZ-CE 4.28Å; F15-W344 HydrophobicContact CB-CZ2 4.03Å; F15-W417 HydrophobicContact CB-CH2 4.32Å; F15-W417 HydrophobicContact CB-CZ2 3.87Å; F15-W417 AromaticContact CD2-CE2 3.96Å; F15-W417 AromaticContact CD2-CZ2 3.82Å; F15-W417 HydrophobicContact CD2-CZ2 3.82Å; F15-W417 AromaticContact CD2-NE1 3.76Å; F15-W417 HydrophobicContact CG-CZ2 4.36Å
16G45.7Very low49Very low1 Ų140.3 Ų40.31%0.0122%0.216CC..Hα-helixtrans-67.1-29.3172.900000113.7S14 T19 R20 W344S14-G16 PolarHBondContact O-N 3.49Å; G16-T19 PolarHBondContact O-OG1 2.98Å; G16-R20 VanDerWaalsContact O-CG 3.27Å; G16-R20 WeakPolarHBondContact O-CG 3.45Å; G16-R20 PolarHBondContact O-N 2.76Å; G16-W344 VanDerWaalsContact N-NE1 3.17Å
17L50.8Low51.1Low13 Ų1338.9 Ų38.97%0.06821%0.209CC..Hα-helixtrans-70.2-42.6170.7-78.6147.3000110.8L11 P12 S14 F15 T19 R20 M334L11-L17 HydrophobicContact CB-CD1 4.38Å; P12-L17 WeakPolarHBondContact O-CD1 3.49Å; S14-L17 WeakPolarHBondContact O-CA 3.37Å; S14-L17 WeakPolarHBondContact O-CB 3.42Å; S14-L17 PolarHBondContact O-N 2.98Å; F15-L17 VanDerWaalsContact C-N 3.31Å; F15-L17 PolarHBondContact O-N 3.29Å; L17-T19 VanDerWaalsContact C-N 3.26Å; L17-T19 PolarHBondContact O-N 3.45Å; L17-R20 VanDerWaalsContact CD2-NH1 3.33Å; L17-R20 WeakPolarHBondContact O-CB 3.43Å; L17-R20 PolarHBondContact O-N 3.35Å; L17-M334 HydrophobicContact CD2-CE 4.31Å
18L54.4Low53.1Low1 Ų141.5 Ų41.51%0.00522%0.22CC..Hα-helixtrans-59.3-37.3176.4-57.8176.2000112.2L13 S14 F15 D265 I269 M272L13-L18 HydrophobicContact CD2-CD2 4Å; S14-L18 PolarHBondContact O-N 3.21Å; F15-L18 HydrophobicContact CD2-CD1 4.39Å; F15-L18 PolarHBondContact O-N 3.45Å; L18-D265 HydrophobicContact CD2-CB 4.2Å; L18-D265 WeakPolarHBondContact CD2-O 3.38Å; L18-I269 HydrophobicContact CB-CD1 4.23Å; L18-I269 HydrophobicContact CB-CG1 3.9Å; L18-I269 HydrophobicContact CD2-CG1 4.06Å; L18-I269 HydrophobicContact CG-CG1 4.41Å; L18-I269 VanDerWaalsContact O-CD1 3.26Å; L18-I269 WeakPolarHBondContact O-CD1 3.27Å; L18-M272 HydrophobicContact CD1-SD 4.31Å
19T56.8Low55.4Low4 Ų440 Ų403%0.02521%0.206CC..Hα-helixtrans-85.2-8178.9540000114.2F15 G16 L17 F22 W24 V341F15-T19 HydrophobicContact CD1-CG2 4.16Å; F15-T19 HydrophobicContact CE1-CG2 3.81Å; F15-T19 PolarHBondContact O-N 2.99Å; F15-T19 VanDerWaalsContact O-N 3.11Å; F15-T19 PolarHBondContact O-OG1 3.42Å; G16-T19 PolarHBondContact O-OG1 2.98Å; L17-T19 VanDerWaalsContact C-N 3.26Å; L17-T19 PolarHBondContact O-N 3.45Å; T19-F22 WeakPolarHBondContact CA-O 3.34Å; T19-F22 CarbonylContact O-C 3.5Å; T19-F22 PolarHBondContact O-N 3.38Å; T19-W24 HydrophobicContact CG2-CZ2 4.42Å; T19-V341 VanDerWaalsContact O-CG2 3.31Å; T19-V341 WeakPolarHBondContact O-CG2 3.48Å
20R59.1Low57.5Low11 Ų1138.6 Ų38.64%0.04221%0.211CC..Hα-helixtrans-64.5-41.1178.2-91.5170.7-169.5-170-4.5112.9G16 L17 M334 L336 V341 D345 Y378G16-R20 VanDerWaalsContact O-CG 3.27Å; G16-R20 WeakPolarHBondContact O-CG 3.45Å; G16-R20 PolarHBondContact O-N 2.76Å; L17-R20 VanDerWaalsContact CD2-NH1 3.33Å; L17-R20 WeakPolarHBondContact O-CB 3.43Å; L17-R20 PolarHBondContact O-N 3.35Å; R20-M334 VanDerWaalsContact NH1-CE 3.33Å; R20-L336 VanDerWaalsContact O-CD1 3.29Å; R20-L336 WeakPolarHBondContact O-CD1 3.15Å; R20-V341 HydrophobicContact CB-CG1 4.41Å; R20-V341 HydrophobicContact CG-CG1 3.48Å; R20-V341 VanDerWaalsContact CG-CG1 3.48Å; R20-D345 IonicContact CZ-OD2 3.25Å; R20-D345 IonicContact NH2-OD1 3.08Å; R20-D345 PolarHBondContact NH2-OD1 3.34Å; R20-D345 IonicContact NH2-OD2 3.75Å; R20-D345 PolarHBondContact NH2-OD2 2.92Å; R20-Y378 PolarHBondContact NH2-OH 3.16Å
21H61.4Low59.8Low14 Ų1443.2 Ų43.27%0.06524%0.236CC..Hα-helixtrans-93.1-18.2178.9-58.696.8000112.5Y262 D265 I332H21-Y262 HydrophobicContact CB-CD2 4.05Å; H21-Y262 HydrophobicContact CB-CE2 4.15Å; H21-Y262 AromaticContact CD2-CD2 3.59Å; H21-Y262 AromaticContact CG-CD2 3.83Å; H21-D265 IonicContact CE1-OD2 2.65Å; H21-D265 PolarHBondContact CE1-OD2 3.31Å; H21-D265 IonicContact ND1-OD2 3.62Å; H21-D265 PolarHBondContact ND1-OD2 2.88Å; H21-I332 PolarHBondContact NE2-O 3.2Å
22F69.3Low62.1Low12 Ų1241 Ų415%0.05322%0.223CC..SBendtrans-134.995.9-172.2-52.9-76.6000111.1T19 Y262 F266 I269 I282 L283T19-F22 WeakPolarHBondContact CA-O 3.34Å; T19-F22 CarbonylContact O-C 3.5Å; T19-F22 PolarHBondContact O-N 3.38Å; F22-Y262 HydrophobicContact CE1-CE2 4.19Å; F22-Y262 HydrophobicContact CE2-CE2 4.28Å; F22-Y262 HydrophobicContact CZ-CD2 4.47Å; F22-Y262 HydrophobicContact CZ-CE1 4.49Å; F22-Y262 AromaticContact CZ-CE2 3.64Å; F22-Y262 HydrophobicContact CZ-CE2 3.64Å; F22-Y262 AromaticContact CZ-CZ 3.64Å; F22-Y262 WeakPolarHBondContact CZ-OH 3.41Å; F22-F266 HydrophobicContact CE1-CD2 4.48Å; F22-F266 HydrophobicContact CE2-CB 4.27Å; F22-F266 HydrophobicContact CE2-CD2 4.38Å; F22-F266 HydrophobicContact CZ-CB 4.22Å; F22-F266 AromaticContact CZ-CD2 3.8Å; F22-F266 HydrophobicContact CZ-CD2 3.8Å; F22-F266 HydrophobicContact CZ-CG 4.46Å; F22-I269 HydrophobicContact CB-CD1 4.01Å; F22-I269 HydrophobicContact CD2-CD1 3Å; F22-I269 HydrophobicContact CE2-CD1 3.55Å; F22-I269 HydrophobicContact CG-CD1 3.73Å; F22-I282 HydrophobicContact CB-CG2 3.26Å; F22-I282 HydrophobicContact CG-CG2 4.33Å; F22-I282 WeakPolarHBondContact O-CG2 3.44Å; F22-L283 HydrophobicContact CB-CG 4.44Å; F22-L283 HydrophobicContact CD1-CD1 3.6Å; F22-L283 HydrophobicContact CD1-CD2 3.58Å; F22-L283 HydrophobicContact CD1-CG 3.72Å; F22-L283 HydrophobicContact CE1-CD1 3.66Å; F22-L283 HydrophobicContact CE1-CD2 4.11Å; F22-L283 HydrophobicContact CE1-CG 4.26Å; F22-L283 HydrophobicContact CG-CD1 4.2Å; F22-L283 HydrophobicContact CG-CD2 4.47Å; F22-L283 HydrophobicContact CG-CG 4.26Å; F22-L283 HydrophobicContact CZ-CD1 4.3Å
23P64.5Low64.6Low61 Ų6143.5 Ų43.540%0.39624%0.239SC..PPolyproline II helixtrans-69.8161.4177.930.2-34.6000111.6L336P23-L336 HydrophobicContact CG-CD1 4.38Å
24W63.8Low67Low24 Ų2445 Ų459%0.09124%0.244CC..PPolyproline II helixtrans-59.8141.8177.6-65.9111.1000113.4F15 T19 E78 T83 F84 L281 I282F15-W24 AromaticContact CE1-CH2 3.91Å; F15-W24 HydrophobicContact CE1-CH2 3.91Å; F15-W24 AromaticContact CE1-CZ2 3.72Å; F15-W24 HydrophobicContact CE1-CZ2 3.72Å; F15-W24 AromaticContact CZ-CH2 3.76Å; F15-W24 HydrophobicContact CZ-CH2 3.76Å; F15-W24 HydrophobicContact CZ-CZ2 4.07Å; T19-W24 HydrophobicContact CG2-CZ2 4.42Å; W24-E78 HydrophobicContact CZ2-CG 4.28Å; W24-E78 PolarHBondContact NE1-O 3.25Å; W24-T83 HydrophobicContact CB-CG2 4.19Å; W24-T83 HydrophobicContact CD2-CG2 4.38Å; W24-T83 HydrophobicContact CE3-CG2 3.88Å; W24-F84 AromaticContact CH2-CE1 3.98Å; W24-F84 HydrophobicContact CH2-CE1 3.98Å; W24-F84 HydrophobicContact CH2-CZ 4.42Å; W24-F84 HydrophobicContact CZ2-CE1 4.2Å; W24-F84 HydrophobicContact CZ2-CZ 4.19Å; W24-F84 HydrophobicContact CZ3-CE1 4.32Å; W24-L281 HydrophobicContact CE3-CD1 4.32Å; W24-L281 HydrophobicContact CE3-CG 4.35Å; W24-L281 HydrophobicContact CZ3-CD1 3.91Å; W24-L281 HydrophobicContact CZ3-CD2 4.35Å; W24-L281 HydrophobicContact CZ3-CG 3.86Å; W24-I282 HydrophobicContact CE3-CG1 4.07Å; W24-I282 HydrophobicContact CZ3-CG1 4.01Å
25S66.5Low69.4Low21 Ų2150.1 Ų50.115%0.14727%0.267CS..PPolyproline II helixtrans-70.6138.1169.2178.80000111.1I27 T83 L281S25-I27 WeakPolarHBondContact OG-CG1 3.4Å; S25-T83 WeakPolarHBondContact O-CG2 3.49Å; S25-T83 PolarHBondContact O-OG1 2.96Å; S25-L281 VanDerWaalsContact CB-O 3.32Å; S25-L281 WeakPolarHBondContact CB-O 3.43Å; S25-L281 PolarHBondContact N-O 2.85Å
26T63.9Low71.8Confident115 Ų11553.1 Ų53.171%0.70629%0.286SS*.  trans-113.621.5178.352.90000113.1K28T26-K28 PolarHBondContact O-N 3.41Å
27I69.5Low74.3Confident112 Ų11255.6 Ų55.657%0.57430%0.296SS*.PPolyproline II helixtrans-68.5119.5-179.8-60170.8000109.8S25S25-I27 WeakPolarHBondContact OG-CG1 3.4Å
28K74Confident76.5Confident143 Ų14360.7 Ų60.762%0.62232%0.315SS*.PPolyproline II helixtrans-79.5129.4175.5-175.2174.5-176.2175.60111.3T26T26-K28 PolarHBondContact O-N 3.41Å
29N76.5Confident78.6Confident46 Ų4661.3 Ų61.325%0.24632%0.318CS..PPolyproline II helixtrans-89.4119.4169.6-171.6-17000109.4D31 F32 E86N29-D31 PolarHBondContact O-N 2.91Å; N29-D31 VanDerWaalsContact O-N 3.14Å; N29-D31 WeakPolarHBondContact OD1-CB 3.35Å; N29-D31 PolarHBondContact OD1-N 3.46Å; N29-F32 HydrophobicContact CB-CD2 3.85Å; N29-F32 HydrophobicContact CB-CE2 4.12Å; N29-F32 PolarHBondContact O-N 2.93Å; N29-E86 WeakPolarHBondContact CA-OE2 3.5Å; N29-E86 WeakPolarHBondContact CB-OE2 3.33Å; N29-E86 PolarHBondContact N-OE2 3.21Å
30P76.6Confident80.5Confident110 Ų11068.6 Ų68.671%0.71435%0.345SS*.THydrogen-bonded Turntrans-63.2-18.1179.327.6-36000113.7F32P30-F32 VanDerWaalsContact C-N 3.25Å; P30-F32 PolarHBondContact O-N 3.24Å
31D81.4Confident82.4Confident123 Ų12368.2 Ų68.266%0.65834%0.344SS*.THydrogen-bonded Turntrans-73.2-16.1179.4-66.1-21.6000113.4N29N29-D31 PolarHBondContact O-N 2.91Å; N29-D31 VanDerWaalsContact O-N 3.14Å; N29-D31 WeakPolarHBondContact OD1-CB 3.35Å; N29-D31 PolarHBondContact OD1-N 3.46Å
32F90.1Very high84.1Confident12 Ų1273.8 Ų73.85%0.05337%0.365CS..  trans-105.3114179-54.8-35.3000110.5N29 P30 Y34 E86 W92N29-F32 HydrophobicContact CB-CD2 3.85Å; N29-F32 HydrophobicContact CB-CE2 4.12Å; N29-F32 PolarHBondContact O-N 2.93Å; P30-F32 VanDerWaalsContact C-N 3.25Å; P30-F32 PolarHBondContact O-N 3.24Å; F32-Y34 HydrophobicContact CB-CE1 4.45Å; F32-E86 WeakPolarHBondContact CD2-OE2 3.44Å; F32-W92 HydrophobicContact CB-CD2 4.36Å; F32-W92 HydrophobicContact CB-CZ2 4.41Å; F32-W92 HydrophobicContact CD1-CB 3.94Å; F32-W92 AromaticContact CD1-CD1 3.68Å; F32-W92 HydrophobicContact CD1-CD2 4.04Å; F32-W92 AromaticContact CD1-CG 3.6Å; F32-W92 HydrophobicContact CD1-CG 3.6Å; F32-W92 AromaticContact CD2-NE1 3.9Å; F32-W92 HydrophobicContact CE1-CB 3.85Å; F32-W92 AromaticContact CE1-CD1 3.67Å; F32-W92 AromaticContact CE1-CG 3.8Å; F32-W92 HydrophobicContact CE1-CG 3.8Å; F32-W92 AromaticContact CG-CD1 3.9Å; F32-W92 HydrophobicContact CG-CD2 4.22Å; F32-W92 HydrophobicContact CG-CG 4.12Å; F32-W92 AromaticContact CG-NE1 3.83Å; F32-W92 AromaticContact CZ-CD1 3.86Å; F32-W92 HydrophobicContact CZ-CG 4.43Å
33T92.2Very high85.5Confident66 Ų6673.2 Ų73.241%0.40536%0.362SS..  trans-99.6131.2176.752.30000109.7N61 E63T33-N61 WeakPolarHBondContact O-CB 3.44Å; T33-N61 PolarHBondContact O-ND2 2.97Å; T33-N61 PolarHBondContact OG1-ND2 2.89Å; T33-E63 PolarHBondContact OG1-OE2 3.46Å
34Y96.4Very high87.1Confident45 Ų4571.2 Ų71.218%0.17635%0.348CS..  trans-155.7152173.648.8-99000111.5F32 L59 A85 E86 W92F32-Y34 HydrophobicContact CB-CE1 4.45Å; Y34-L59 HydrophobicContact CD2-CB 3.95Å; Y34-L59 HydrophobicContact CD2-CD1 3.89Å; Y34-L59 HydrophobicContact CD2-CD2 3.82Å; Y34-L59 HydrophobicContact CD2-CG 4.09Å; Y34-L59 HydrophobicContact CE1-CD1 4.46Å; Y34-L59 HydrophobicContact CE2-CD1 3.76Å; Y34-L59 HydrophobicContact CE2-CD2 3.91Å; Y34-L59 HydrophobicContact CE2-CG 4.3Å; Y34-L59 HydrophobicContact CG-CB 4.13Å; Y34-L59 HydrophobicContact CG-CD1 4.3Å; Y34-A85 HydrophobicContact CE1-CB 4.43Å; Y34-E86 VanDerWaalsContact CE1-OE1 3.28Å; Y34-E86 WeakPolarHBondContact CE1-OE1 3.39Å; Y34-E86 PolarHBondContact OH-OE1 2.88Å; Y34-W92 AromaticContact CD1-CH2 3.78Å; Y34-W92 HydrophobicContact CD1-CH2 3.78Å; Y34-W92 AromaticContact CD1-CZ2 3.98Å; Y34-W92 HydrophobicContact CD1-CZ2 3.98Å; Y34-W92 HydrophobicContact CG-CH2 4.31Å
35E96.7Very high88.8Confident115 Ų11572 Ų7254%0.53735%0.353SS..EExtended strand (participates in β ladder)trans-93.4130.4169.2-65.5178.1-175.900109.6K37 L59 I60E35-K37 WeakPolarHBondContact OE2-CE 3.48Å; E35-K37 IonicContact OE2-NZ 3.26Å; E35-K37 PolarHBondContact OE2-NZ 3.3Å; E35-L59 WeakPolarHBondContact O-CA 3.33Å; E35-I60 HydrophobicContact CB-CG2 4.15Å; E35-I60 PolarHBondContact N-O 2.97Å; E35-I60 PolarHBondContact O-N 2.89Å
36T97.9Very high90.2Very high66 Ų6676.7 Ų76.741%0.40537%0.371SS..EExtended strand (participates in β ladder)trans-80.6123.7168.2-54.10000109.5Y38 R57 L59T36-Y38 HydrophobicContact CG2-CE2 4.28Å; T36-R57 HydrophobicContact CG2-CG 3.84Å; T36-L59 HydrophobicContact CG2-CD2 4.16Å
37K98.2Very high91.8Very high54 Ų5473.5 Ų73.524%0.23535%0.353CS..EExtended strand (participates in β ladder)trans-130.5171.5177.6-70-169.6-179.3162.80110.7E35 R57 Y58 I60 Y150E35-K37 WeakPolarHBondContact OE2-CE 3.48Å; E35-K37 IonicContact OE2-NZ 3.26Å; E35-K37 PolarHBondContact OE2-NZ 3.3Å; K37-R57 WeakPolarHBondContact O-CA 3.46Å; K37-Y58 HydrophobicContact CB-CD1 4.12Å; K37-Y58 HydrophobicContact CB-CD2 4.36Å; K37-Y58 HydrophobicContact CB-CE1 3.47Å; K37-Y58 VanDerWaalsContact CB-CE1 3.47Å; K37-Y58 HydrophobicContact CB-CE2 3.77Å; K37-Y58 WeakPolarHBondContact CB-OH 3.28Å; K37-Y58 HydrophobicContact CD-CE2 4.39Å; K37-Y58 WeakPolarHBondContact CD-OH 3.37Å; K37-Y58 PolarHBondContact N-O 2.88Å; K37-Y58 PolarHBondContact O-N 2.7Å; K37-Y58 VanDerWaalsContact O-O 3.1Å; K37-I60 HydrophobicContact CD-CG2 3.86Å; K37-I60 HydrophobicContact CG-CG2 4.26Å; K37-Y150 PolarHBondContact NZ-OH 3.02Å; K37-Y150 VanDerWaalsContact NZ-OH 3.13Å
38Y98.2Very high93.1Very high120 Ų12077.7 Ų77.747%0.47137%0.367SS..EExtended strand (participates in β ladder)trans-134.3146.5-177.9-58.9-90.5000111.3T36 L55 I56 R57T36-Y38 HydrophobicContact CG2-CE2 4.28Å; Y38-L55 HydrophobicContact CD1-CB 4.26Å; Y38-I56 CarbonylContact C-O 3.52Å; Y38-I56 VanDerWaalsContact CA-O 3.29Å; Y38-I56 WeakPolarHBondContact CA-O 3.36Å; Y38-R57 HydrophobicContact CD1-CB 4.06Å; Y38-R57 HydrophobicContact CE1-CB 3.84Å; Y38-R57 HydrophobicContact CE1-CG 4.05Å
39F96.8Very high94.1Very high13 Ų1377.2 Ų77.26%0.05738%0.376CS..EExtended strand (participates in β ladder)trans-127.3130.1179.8162.7-115.8000110.5L55 I56 Y58 L141 L142 Q145F39-L55 WeakPolarHBondContact O-CA 3.34Å; F39-I56 PolarHBondContact N-O 3.13Å; F39-I56 PolarHBondContact O-N 3.05Å; F39-Y58 HydrophobicContact CB-CD1 4.29Å; F39-Y58 HydrophobicContact CB-CE1 4.17Å; F39-L141 HydrophobicContact CE1-CB 3.98Å; F39-L141 HydrophobicContact CZ-CB 3.78Å; F39-L142 HydrophobicContact CB-CD1 3.76Å; F39-L142 HydrophobicContact CD1-CB 3.94Å; F39-L142 HydrophobicContact CD1-CD1 4.25Å; F39-L142 HydrophobicContact CE1-CB 4.22Å; F39-L142 HydrophobicContact CG-CB 4.44Å; F39-L142 HydrophobicContact CG-CD1 3.94Å; F39-Q145 HydrophobicContact CD2-CB 4.19Å; F39-Q145 HydrophobicContact CD2-CG 4.27Å; F39-Q145 HydrophobicContact CE2-CB 3.95Å; F39-Q145 HydrophobicContact CE2-CG 4.36Å
40W98Very high95Very high157 Ų15776 Ų7660%0.59537%0.37SS*.EExtended strand (participates in β ladder)trans-77.8121.1174.5-79.3106000111K53 F54 L55W40-K53 HydrophobicContact CE3-CB 3.75Å; W40-K53 HydrophobicContact CZ3-CB 4.04Å; W40-F54 WeakPolarHBondContact CA-O 3.36Å; W40-L55 HydrophobicContact CB-CD2 4.43Å; W40-L55 HydrophobicContact CD2-CD2 3.49Å; W40-L55 VanDerWaalsContact CD2-CD2 3.49Å; W40-L55 HydrophobicContact CD2-CG 4.06Å; W40-L55 VanDerWaalsContact CE2-CD2 3.48Å; W40-L55 HydrophobicContact CE3-CD2 4.08Å; W40-L55 HydrophobicContact CE3-CG 4.21Å; W40-L55 HydrophobicContact CG-CD2 3.63Å; W40-L55 HydrophobicContact CH2-CG 4.24Å; W40-L55 HydrophobicContact CZ2-CD1 4.3Å; W40-L55 HydrophobicContact CZ2-CD2 4.08Å; W40-L55 HydrophobicContact CZ2-CG 4.06Å; W40-L55 HydrophobicContact CZ3-CG 4.32Å
41T98.1Very high95.8Very high4 Ų477 Ų773%0.02537%0.369CS..EExtended strand (participates in β ladder)trans-128.8165.6175.4-164.80000110.8H45 K53 F54 I56 D138T41-H45 PolarHBondContact OG1-CE1 2.89Å; T41-H45 PolarHBondContact OG1-NE2 2.94Å; T41-K53 WeakPolarHBondContact O-CA 3.41Å; T41-K53 VanDerWaalsContact O-CB 3.28Å; T41-K53 WeakPolarHBondContact O-CB 3.49Å; T41-F54 HydrophobicContact CG2-CD1 3.75Å; T41-F54 HydrophobicContact CG2-CE1 3.23Å; T41-F54 HydrophobicContact CG2-CE2 4.38Å; T41-F54 HydrophobicContact CG2-CG 4.5Å; T41-F54 HydrophobicContact CG2-CZ 3.59Å; T41-F54 PolarHBondContact N-O 3Å; T41-F54 PolarHBondContact O-N 2.87Å; T41-I56 HydrophobicContact CG2-CD1 3.75Å; T41-I56 HydrophobicContact CG2-CG1 3.94Å; T41-D138 WeakPolarHBondContact CB-OD1 3.33Å; T41-D138 WeakPolarHBondContact CG2-OD1 3.34Å; T41-D138 PolarHBondContact OG1-OD1 3.47Å
42R98Very high96.6Very high130 Ų13076 Ų7649%0.49136%0.36SS..EExtended strand (participates in β ladder)trans-77.5146.3174.3-67.5-173.2178.8108.9-2110.1D44 R108R42-D44 VanDerWaalsContact C-N 3.3Å; R42-R108 PolarHBondContact O-NH2 2.97Å
43V98.5Very high97Very high0 Ų081.6 Ų81.60%039%0.385CS..SBendtrans-61.6-43.5168.4173.50000110.2E52 F54 R108 P115 F116 Y129V43-E52 HydrophobicContact CB-CB 4.44Å; V43-E52 HydrophobicContact CG2-CB 3.82Å; V43-E52 WeakPolarHBondContact CG2-O 2.88Å; V43-E52 PolarHBondContact N-O 3.29Å; V43-F54 HydrophobicContact CG2-CD1 4.02Å; V43-R108 PolarHBondContact O-NH1 3.41Å; V43-P115 HydrophobicContact CG1-CB 4.47Å; V43-P115 HydrophobicContact CG2-CB 4.22Å; V43-F116 HydrophobicContact CG1-CE2 3.95Å; V43-F116 HydrophobicContact CG1-CZ 3.61Å; V43-F116 HydrophobicContact CG2-CZ 4.44Å; V43-Y129 HydrophobicContact CG1-CD1 4.12Å; V43-Y129 HydrophobicContact CG1-CD2 3.44Å; V43-Y129 VanDerWaalsContact CG1-CD2 3.44Å; V43-Y129 HydrophobicContact CG1-CE1 4.24Å; V43-Y129 HydrophobicContact CG1-CE2 3.56Å; V43-Y129 HydrophobicContact CG1-CG 3.72Å
44D98.4Very high97.3Very high20 Ų2078.9 Ų78.911%0.10737%0.367CS..  trans-120119.3178.9-161.8-14000111.8R42 F46 S47 N50 Y129 Q134R42-D44 VanDerWaalsContact C-N 3.3Å; D44-F46 PolarHBondContact OD1-N 3.32Å; D44-S47 PolarHBondContact OD1-N 3.32Å; D44-S47 VanDerWaalsContact OD1-N 3.14Å; D44-S47 WeakPolarHBondContact OD2-CB 3.45Å; D44-N50 HydrophobicContact CB-CB 4.27Å; D44-Y129 HydrophobicContact CB-CD1 3.92Å; D44-Y129 HydrophobicContact CB-CE1 3.66Å; D44-Y129 WeakPolarHBondContact OD2-CE1 3.34Å; D44-Q134 PolarHBondContact OD1-NE2 3.38Å
45H98.2Very high97.4Very high39 Ų3979.9 Ų79.918%0.18138%0.375CS..SBendtrans-87.1-18.9173.5-65.1-59.2000113.9T41 R108 Q134 A137 D138 L141T41-H45 PolarHBondContact OG1-CE1 2.89Å; T41-H45 PolarHBondContact OG1-NE2 2.94Å; H45-R108 PolarHBondContact CD2-NH2 3.46Å; H45-R108 PolarHBondContact NE2-NH2 2.84Å; H45-Q134 PolarHBondContact CD2-O 3.38Å; H45-Q134 PolarHBondContact CD2-OE1 3.36Å; H45-A137 HydrophobicContact CB-CB 4Å; H45-A137 VanDerWaalsContact CD2-CB 3.5Å; H45-A137 WeakPolarHBondContact CD2-CB 3.38Å; H45-D138 IonicContact CD2-OD1 3.11Å; H45-D138 IonicContact CE1-OD1 3.89Å; H45-D138 IonicContact NE2-OD1 3.12Å; H45-D138 PolarHBondContact NE2-OD1 3.01Å; H45-L141 WeakPolarHBondContact CE1-CD1 3.41Å
46F97.7Very high97.5Very high121 Ų12174.5 Ų74.553%0.53135%0.35SS..SBendtrans-112.5-5.4-167.1-55.2-68.5000113.5D44 E133 Q134 A137D44-F46 PolarHBondContact OD1-N 3.32Å; F46-E133 HydrophobicContact CE2-CB 3.71Å; F46-E133 HydrophobicContact CZ-CB 3.69Å; F46-Q134 HydrophobicContact CD2-CG 4.03Å; F46-Q134 HydrophobicContact CE2-CB 4.37Å; F46-Q134 HydrophobicContact CE2-CG 3.87Å; F46-A137 HydrophobicContact CZ-CB 4.27Å
47S97.2Very high97.5Very high47 Ų4772.5 Ų72.533%0.32934%0.335SS..  trans-129.9147.5168.4-169.80000111.2D44 V49D44-S47 PolarHBondContact OD1-N 3.32Å; D44-S47 VanDerWaalsContact OD1-N 3.14Å; D44-S47 WeakPolarHBondContact OD2-CB 3.45Å; S47-V49 PolarHBondContact OG-N 3.49Å
48F96Very high97.5Very high201 Ų20170.3 Ų70.388%0.88233%0.326SS*.SBendtrans-92.10.5173.8-72.6-98.2000112.9
49V96Very high97.5Very high133 Ų13364.7 Ų64.781%0.80630%0.303SS*.SBendtrans-74-38.7-177.8176.60000111.6S47S47-V49 PolarHBondContact OG-N 3.49Å
50N94.6Very high97.6Very high21 Ų2164.2 Ų64.211%0.11230%0.302CS..  trans-102.8112.2176.6-173.5-19.6000109.2D44 E52 Y129D44-N50 HydrophobicContact CB-CB 4.27Å; N50-E52 WeakPolarHBondContact OD1-CB 3.29Å; N50-E52 WeakPolarHBondContact OD1-CG 3.34Å; N50-E52 PolarHBondContact OD1-N 3.21Å; N50-Y129 PolarHBondContact ND2-OH 2.87Å
51D94.5Very high97.6Very high130 Ų13057.3 Ų57.370%0.69528%0.276SS*.  trans-1036.5177.769.7-23.9000113.6
52E97.6Very high97.4Very high102 Ų10259.7 Ų59.748%0.47729%0.289SS..  trans-58.7150.3174.7-63.6-178.5-128.400110.9V43 N50V43-E52 HydrophobicContact CB-CB 4.44Å; V43-E52 HydrophobicContact CG2-CB 3.82Å; V43-E52 WeakPolarHBondContact CG2-O 2.88Å; V43-E52 PolarHBondContact N-O 3.29Å; N50-E52 WeakPolarHBondContact OD1-CB 3.29Å; N50-E52 WeakPolarHBondContact OD1-CG 3.34Å; N50-E52 PolarHBondContact OD1-N 3.21Å
53K98.1Very high97.2Very high130 Ų13060.6 Ų60.657%0.56530%0.299SS*.EExtended strand (participates in β ladder)trans-128.6153.9-179.8-63.1-175.3-178.3178.10110.5W40 T41W40-K53 HydrophobicContact CE3-CB 3.75Å; W40-K53 HydrophobicContact CZ3-CB 4.04Å; T41-K53 WeakPolarHBondContact O-CA 3.41Å; T41-K53 VanDerWaalsContact O-CB 3.28Å; T41-K53 WeakPolarHBondContact O-CB 3.49Å
54F98.5Very high96.9Very high9 Ų962.2 Ų62.24%0.03931%0.31CS..EExtended strand (participates in β ladder)trans-142.7170.8174.576.8-71.7000110.6W40 T41 V43 I56 R108 P115W40-F54 WeakPolarHBondContact CA-O 3.36Å; T41-F54 HydrophobicContact CG2-CD1 3.75Å; T41-F54 HydrophobicContact CG2-CE1 3.23Å; T41-F54 HydrophobicContact CG2-CE2 4.38Å; T41-F54 HydrophobicContact CG2-CG 4.5Å; T41-F54 HydrophobicContact CG2-CZ 3.59Å; T41-F54 PolarHBondContact N-O 3Å; T41-F54 PolarHBondContact O-N 2.87Å; V43-F54 HydrophobicContact CG2-CD1 4.02Å; F54-I56 HydrophobicContact CD2-CG1 4.35Å; F54-I56 HydrophobicContact CE2-CD1 4.16Å; F54-I56 HydrophobicContact CE2-CG1 3.48Å; F54-I56 VanDerWaalsContact CE2-CG1 3.48Å; F54-I56 HydrophobicContact CZ-CD1 3.84Å; F54-I56 HydrophobicContact CZ-CG1 3.65Å; F54-R108 HydrophobicContact CE2-CB 4.23Å; F54-R108 HydrophobicContact CZ-CB 3.85Å; F54-P115 HydrophobicContact CD1-CB 4.08Å; F54-P115 HydrophobicContact CD1-CG 4.21Å; F54-P115 HydrophobicContact CD2-CB 4.23Å; F54-P115 HydrophobicContact CD2-CG 3.96Å; F54-P115 HydrophobicContact CE1-CB 4.32Å; F54-P115 HydrophobicContact CE1-CG 4Å; F54-P115 HydrophobicContact CE2-CB 4.47Å; F54-P115 HydrophobicContact CE2-CG 3.75Å; F54-P115 HydrophobicContact CG-CB 4.04Å; F54-P115 HydrophobicContact CG-CG 4.2Å; F54-P115 HydrophobicContact CZ-CG 3.79Å
55L98.3Very high96.8Very high65 Ų6562.8 Ų62.834%0.3431%0.312SS..EExtended strand (participates in β ladder)trans-96.4128.2177.7-70.6172.9000110.3Y38 F39 W40Y38-L55 HydrophobicContact CD1-CB 4.26Å; F39-L55 WeakPolarHBondContact O-CA 3.34Å; W40-L55 HydrophobicContact CB-CD2 4.43Å; W40-L55 HydrophobicContact CD2-CD2 3.49Å; W40-L55 VanDerWaalsContact CD2-CD2 3.49Å; W40-L55 HydrophobicContact CD2-CG 4.06Å; W40-L55 VanDerWaalsContact CE2-CD2 3.48Å; W40-L55 HydrophobicContact CE3-CD2 4.08Å; W40-L55 HydrophobicContact CE3-CG 4.21Å; W40-L55 HydrophobicContact CG-CD2 3.63Å; W40-L55 HydrophobicContact CH2-CG 4.24Å; W40-L55 HydrophobicContact CZ2-CD1 4.3Å; W40-L55 HydrophobicContact CZ2-CD2 4.08Å; W40-L55 HydrophobicContact CZ2-CG 4.06Å; W40-L55 HydrophobicContact CZ3-CG 4.32Å
56I98.5Very high96.6Very high3 Ų363.9 Ų63.92%0.01532%0.321CS..EExtended strand (participates in β ladder)trans-95.4129162.9-72.9-177.2000108.8Y38 F39 T41 F54 E106 D138Y38-I56 CarbonylContact C-O 3.52Å; Y38-I56 VanDerWaalsContact CA-O 3.29Å; Y38-I56 WeakPolarHBondContact CA-O 3.36Å; F39-I56 PolarHBondContact N-O 3.13Å; F39-I56 PolarHBondContact O-N 3.05Å; T41-I56 HydrophobicContact CG2-CD1 3.75Å; T41-I56 HydrophobicContact CG2-CG1 3.94Å; F54-I56 HydrophobicContact CD2-CG1 4.35Å; F54-I56 HydrophobicContact CE2-CD1 4.16Å; F54-I56 HydrophobicContact CE2-CG1 3.48Å; F54-I56 VanDerWaalsContact CE2-CG1 3.48Å; F54-I56 HydrophobicContact CZ-CD1 3.84Å; F54-I56 HydrophobicContact CZ-CG1 3.65Å; I56-E106 WeakPolarHBondContact CG2-O 3.38Å; I56-D138 HydrophobicContact CD1-CB 3.46Å; I56-D138 VanDerWaalsContact CD1-CB 3.46Å; I56-D138 VanDerWaalsContact CD1-OD2 3.3Å; I56-D138 WeakPolarHBondContact CD1-OD2 3.43Å
57R98.7Very high96.1Very high24 Ų2463.4 Ų63.49%0.09133%0.33CS..EExtended strand (participates in β ladder)trans-73.8140.2171.4-178.4167.462.2169.70.9109.8T36 K37 Y38 I81 E82 E106 T112 S113T36-R57 HydrophobicContact CG2-CG 3.84Å; K37-R57 WeakPolarHBondContact O-CA 3.46Å; Y38-R57 HydrophobicContact CD1-CB 4.06Å; Y38-R57 HydrophobicContact CE1-CB 3.84Å; Y38-R57 HydrophobicContact CE1-CG 4.05Å; R57-I81 HydrophobicContact CG-CG2 4.3Å; R57-E82 VanDerWaalsContact CZ-CD 3.49Å; R57-E82 IonicContact CZ-OE1 3.36Å; R57-E82 IonicContact CZ-OE2 2.84Å; R57-E82 IonicContact NE-OE1 3.34Å; R57-E82 IonicContact NE-OE2 2.76Å; R57-E82 VanDerWaalsContact NH1-CD 3.33Å; R57-E82 IonicContact NH1-OE1 3.92Å; R57-E82 PolarHBondContact NH1-OE1 2.89Å; R57-E82 IonicContact NH1-OE2 3.45Å; R57-E82 PolarHBondContact NH1-OE2 3.29Å; R57-E82 IonicContact NH2-OE1 2.74Å; R57-E82 IonicContact NH2-OE2 3.51Å; R57-E82 PolarHBondContact NH2-OE2 3.06Å; R57-E106 HydrophobicContact CB-CB 4.15Å; R57-E106 WeakPolarHBondContact CB-OE2 3.37Å; R57-E106 IonicContact CZ-OE1 3.51Å; R57-E106 VanDerWaalsContact CZ-OE1 3.26Å; R57-E106 IonicContact CZ-OE2 2.69Å; R57-E106 IonicContact NE-OE1 3.23Å; R57-E106 PolarHBondContact NE-OE1 3.21Å; R57-E106 VanDerWaalsContact NE-OE1 3.12Å; R57-E106 IonicContact NE-OE2 2.79Å; R57-E106 PolarHBondContact NE-OE2 2.77Å; R57-E106 IonicContact NH2-OE1 2.98Å; R57-E106 PolarHBondContact NH2-OE1 2.88Å; R57-E106 IonicContact NH2-OE2 3.78Å; R57-E106 WeakPolarHBondContact O-CB 3.36Å; R57-E106 PolarHBondContact O-N 2.84Å; R57-T112 WeakPolarHBondContact CD-OG1 3.38Å; R57-T112 VanDerWaalsContact CZ-OG1 3.3Å; R57-T112 PolarHBondContact NE-OG1 3.1Å; R57-S113 WeakPolarHBondContact CB-OG 3.29Å; R57-S113 PolarHBondContact N-OG 3.35Å
58Y98.7Very high95.5Very high8 Ų862.7 Ų62.73%0.03133%0.331CS..EExtended strand (participates in β ladder)trans-145153.6167.771.7-84.1000110.4K37 F39 I60 V103 F104 L142 L146K37-Y58 HydrophobicContact CB-CD1 4.12Å; K37-Y58 HydrophobicContact CB-CD2 4.36Å; K37-Y58 HydrophobicContact CB-CE1 3.47Å; K37-Y58 VanDerWaalsContact CB-CE1 3.47Å; K37-Y58 HydrophobicContact CB-CE2 3.77Å; K37-Y58 WeakPolarHBondContact CB-OH 3.28Å; K37-Y58 HydrophobicContact CD-CE2 4.39Å; K37-Y58 WeakPolarHBondContact CD-OH 3.37Å; K37-Y58 PolarHBondContact N-O 2.88Å; K37-Y58 PolarHBondContact O-N 2.7Å; K37-Y58 VanDerWaalsContact O-O 3.1Å; F39-Y58 HydrophobicContact CB-CD1 4.29Å; F39-Y58 HydrophobicContact CB-CE1 4.17Å; Y58-I60 HydrophobicContact CD2-CB 4.21Å; Y58-I60 HydrophobicContact CE2-CB 3.94Å; Y58-I60 HydrophobicContact CE2-CD1 4.39Å; Y58-I60 HydrophobicContact CE2-CG2 3.97Å; Y58-V103 HydrophobicContact CD2-CG1 4.14Å; Y58-F104 CarbonylContact C-O 3.57Å; Y58-F104 WeakPolarHBondContact CA-O 3.49Å; Y58-F104 WeakPolarHBondContact CB-O 3.18Å; Y58-L142 HydrophobicContact CD1-CD1 3.87Å; Y58-L142 HydrophobicContact CD1-CD2 4.29Å; Y58-L142 HydrophobicContact CE1-CD1 3.89Å; Y58-L142 HydrophobicContact CG-CD1 4.22Å; Y58-L142 HydrophobicContact CG-CD2 4.05Å; Y58-L146 HydrophobicContact CE2-CD2 4.03Å
59L98.4Very high95.4Very high1 Ų153.4 Ų53.41%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-104.4139175-45.4177.3000108.2Y34 E35 T36 I81 E82 A85 V103 F104Y34-L59 HydrophobicContact CD2-CB 3.95Å; Y34-L59 HydrophobicContact CD2-CD1 3.89Å; Y34-L59 HydrophobicContact CD2-CD2 3.82Å; Y34-L59 HydrophobicContact CD2-CG 4.09Å; Y34-L59 HydrophobicContact CE1-CD1 4.46Å; Y34-L59 HydrophobicContact CE2-CD1 3.76Å; Y34-L59 HydrophobicContact CE2-CD2 3.91Å; Y34-L59 HydrophobicContact CE2-CG 4.3Å; Y34-L59 HydrophobicContact CG-CB 4.13Å; Y34-L59 HydrophobicContact CG-CD1 4.3Å; E35-L59 WeakPolarHBondContact O-CA 3.33Å; T36-L59 HydrophobicContact CG2-CD2 4.16Å; L59-I81 HydrophobicContact CD1-CG2 4.12Å; L59-I81 HydrophobicContact CD2-CG2 4.21Å; L59-I81 HydrophobicContact CG-CG1 4.49Å; L59-I81 HydrophobicContact CG-CG2 3.97Å; L59-E82 HydrophobicContact CD1-CG 4.24Å; L59-A85 HydrophobicContact CD1-CB 3.6Å; L59-V103 CarbonylContact O-C 3.46Å; L59-V103 VanDerWaalsContact O-CA 3.27Å; L59-V103 WeakPolarHBondContact O-CA 3.46Å; L59-F104 HydrophobicContact CB-CB 4.19Å; L59-F104 HydrophobicContact CD1-CB 4.36Å; L59-F104 HydrophobicContact CG-CB 4.4Å; L59-F104 PolarHBondContact N-O 3.05Å; L59-F104 PolarHBondContact O-N 3.29Å
60I97.9Very high95.5Very high4 Ų447.1 Ų47.12%0.02125%0.253CS..EExtended strand (participates in β ladder)trans-135.8138.2178-172.7167.1000111.8E35 K37 Y58 N62 V102 V103 L146 Y150 F153E35-I60 HydrophobicContact CB-CG2 4.15Å; E35-I60 PolarHBondContact N-O 2.97Å; E35-I60 PolarHBondContact O-N 2.89Å; K37-I60 HydrophobicContact CD-CG2 3.86Å; K37-I60 HydrophobicContact CG-CG2 4.26Å; Y58-I60 HydrophobicContact CD2-CB 4.21Å; Y58-I60 HydrophobicContact CE2-CB 3.94Å; Y58-I60 HydrophobicContact CE2-CD1 4.39Å; Y58-I60 HydrophobicContact CE2-CG2 3.97Å; I60-N62 WeakPolarHBondContact CG1-OD1 3.29Å; I60-V102 CarbonylContact C-O 3.56Å; I60-V102 VanDerWaalsContact CA-O 3.3Å; I60-V102 WeakPolarHBondContact CA-O 3.28Å; I60-V103 HydrophobicContact CD1-CG2 4.18Å; I60-V103 HydrophobicContact CG1-CG2 4.1Å; I60-L146 HydrophobicContact CD1-CD2 4.12Å; I60-Y150 HydrophobicContact CD1-CE2 4.41Å; I60-F153 HydrophobicContact CD1-CE2 4.39Å
61N97Very high95.7Very high12 Ų1246.2 Ų46.26%0.06425%0.248CC..EExtended strand (participates in β ladder)trans-130.5126.6165.9-178-62.1000109.5T33 E63 W92 S101 V102T33-N61 WeakPolarHBondContact O-CB 3.44Å; T33-N61 PolarHBondContact O-ND2 2.97Å; T33-N61 PolarHBondContact OG1-ND2 2.89Å; N61-E63 PolarHBondContact ND2-OE2 3.05Å; N61-E63 VanDerWaalsContact ND2-OE2 3.1Å; N61-E63 WeakPolarHBondContact OD1-CB 3.21Å; N61-E63 PolarHBondContact OD1-N 3.37Å; N61-W92 HydrophobicContact CB-CH2 4.45Å; N61-W92 HydrophobicContact CB-CZ3 3.74Å; N61-S101 WeakPolarHBondContact O-CA 3.26Å; N61-S101 PolarHBondContact O-OG 3.39Å; N61-V102 HydrophobicContact CB-CB 4.48Å; N61-V102 PolarHBondContact N-O 3.4Å; N61-V102 PolarHBondContact O-N 3.43Å
62N94.9Very high95.9Very high53 Ų5340 Ų4028%0.28322%0.215SC..  trans-118.28.4178.8-66-17.6000112.6I60 S64 F65 S101 F153I60-N62 WeakPolarHBondContact CG1-OD1 3.29Å; N62-S64 VanDerWaalsContact C-N 3.27Å; N62-S64 PolarHBondContact O-N 3.2Å; N62-F65 HydrophobicContact CB-CB 4.41Å; N62-F65 WeakPolarHBondContact O-CB 3.48Å; N62-F65 PolarHBondContact O-N 2.97Å; N62-S101 WeakPolarHBondContact OD1-CB 3.47Å; N62-S101 PolarHBondContact OD1-OG 3.13Å; N62-F153 WeakPolarHBondContact OD1-CZ 3.25Å
63E93.8Very high96Very high150 Ų15035.1 Ų35.170%0.70119%0.192SC*.THydrogen-bonded Turntrans-62.7-35.2-172.3-65.9178.2152.100112T33 N61T33-E63 PolarHBondContact OG1-OE2 3.46Å; N61-E63 PolarHBondContact ND2-OE2 3.05Å; N61-E63 VanDerWaalsContact ND2-OE2 3.1Å; N61-E63 WeakPolarHBondContact OD1-CB 3.21Å; N61-E63 PolarHBondContact OD1-N 3.37Å
64S93.1Very high96Very high34 Ų3429.1 Ų29.124%0.23817%0.166CC..THydrogen-bonded Turntrans-89.8-4.5177.4-59.70000113.8N62 N99N62-S64 VanDerWaalsContact C-N 3.27Å; N62-S64 PolarHBondContact O-N 3.2Å; S64-N99 CarbonylContact O-C 3.19Å; S64-N99 VanDerWaalsContact O-C 3.28Å; S64-N99 WeakPolarHBondContact O-CA 3.39Å
65F96.4Very high96Very high32 Ų3228.7 Ų28.714%0.1416%0.164CC..  trans-75.1136.1-169.5177.8-95.5000112.5N62 G69 N99 C152 F153N62-F65 HydrophobicContact CB-CB 4.41Å; N62-F65 WeakPolarHBondContact O-CB 3.48Å; N62-F65 PolarHBondContact O-N 2.97Å; F65-G69 WeakPolarHBondContact CE2-O 3.4Å; F65-N99 WeakPolarHBondContact CA-O 3.17Å; F65-C152 HydrophobicContact CE1-CB 3.81Å; F65-C152 HydrophobicContact CZ-CB 4.47Å; F65-F153 HydrophobicContact CD1-CD1 4.36Å; F65-F153 AromaticContact CD1-CE1 3.78Å; F65-F153 HydrophobicContact CD1-CE1 3.78Å; F65-F153 HydrophobicContact CD2-CD1 4.43Å; F65-F153 AromaticContact CD2-CE1 3.84Å; F65-F153 HydrophobicContact CD2-CE1 3.84Å; F65-F153 AromaticContact CE1-CD1 3.75Å; F65-F153 HydrophobicContact CE1-CD1 3.75Å; F65-F153 AromaticContact CE1-CE1 3.65Å; F65-F153 HydrophobicContact CE1-CE1 3.65Å; F65-F153 AromaticContact CE2-CD1 3.8Å; F65-F153 HydrophobicContact CE2-CD1 3.8Å; F65-F153 AromaticContact CE2-CE1 3.67Å; F65-F153 HydrophobicContact CE2-CE1 3.67Å; F65-F153 AromaticContact CG-CE1 3.87Å; F65-F153 HydrophobicContact CG-CE1 3.87Å; F65-F153 AromaticContact CZ-CD1 3.43Å; F65-F153 HydrophobicContact CZ-CD1 3.43Å; F65-F153 VanDerWaalsContact CZ-CD1 3.43Å; F65-F153 AromaticContact CZ-CE1 3.58Å; F65-F153 HydrophobicContact CZ-CE1 3.58Å
66T92.5Very high96Very high61 Ų6125.6 Ų25.637%0.37415%0.148SC..  trans-127.7151.2168.464.10000111.1G68 G69 N99T66-G68 PolarHBondContact O-N 3.08Å; T66-G69 PolarHBondContact O-N 3.28Å; T66-N99 HydrophobicContact CG2-CB 4.07Å; T66-N99 PolarHBondContact N-O 3.04Å; T66-N99 WeakPolarHBondContact OG1-CB 3.49Å
67P87.5Confident95.9Very high111 Ų11125.6 Ų25.672%0.72115%0.148SC*.THydrogen-bonded Turntrans-52.6126.1178.2-27.735.4000112.8
68G84.1Confident95.7Very high33 Ų3324.5 Ų24.534%0.3414%0.144SC..THydrogen-bonded Turntrans94.7-10.5-174.300000114.6T66T66-G68 PolarHBondContact O-N 3.08Å
69G94.6Very high95.3Very high5 Ų524.2 Ų24.25%0.05214%0.143CC..PPolyproline II helixtrans-66.4157168.800000112.6F65 T66 S156F65-G69 WeakPolarHBondContact CE2-O 3.4Å; T66-G69 PolarHBondContact O-N 3.28Å; G69-S156 VanDerWaalsContact O-CB 3.28Å; G69-S156 WeakPolarHBondContact O-CB 3.45Å; G69-S156 PolarHBondContact O-OG 3.33Å
70P98Very high95Very high2 Ų225.1 Ų25.11%0.01315%0.149CC..PPolyproline II helixtrans-77.3166.4177.533.4-34.7000112.2L72 L98 A100 S101 P157 I159 I471P70-L72 HydrophobicContact CB-CD2 4.29Å; P70-L72 HydrophobicContact CG-CD2 3.98Å; P70-L98 WeakPolarHBondContact CD-O 3.16Å; P70-L98 HydrophobicContact CG-CB 4.28Å; P70-A100 HydrophobicContact CG-CB 3.6Å; P70-A100 VanDerWaalsContact O-CA 3.3Å; P70-A100 WeakPolarHBondContact O-CA 3.5Å; P70-A100 WeakPolarHBondContact O-CB 3.28Å; P70-S101 PolarHBondContact O-N 3.29Å; P70-P157 CarbonylContact C-O 3.28Å; P70-P157 VanDerWaalsContact CA-O 3.24Å; P70-P157 WeakPolarHBondContact CA-O 3.26Å; P70-P157 HydrophobicContact CB-CG 4.08Å; P70-I159 HydrophobicContact CB-CG1 4.37Å; P70-I471 HydrophobicContact CB-CD1 3.88Å; P70-I471 HydrophobicContact CB-CG1 4.08Å; P70-I471 HydrophobicContact CG-CD1 3.61Å; P70-I471 HydrophobicContact CG-CG1 4.35Å
71I98.6Very high95Very high1 Ų124.9 Ų24.91%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-99.9116.8159.1-58170000106.7F73 V103 K147 F153 P157 V158 I159I71-F73 HydrophobicContact CG2-CB 4.44Å; I71-V103 HydrophobicContact CG2-CB 4.32Å; I71-V103 HydrophobicContact CG2-CG2 3.83Å; I71-K147 HydrophobicContact CD1-CG 4.49Å; I71-F153 HydrophobicContact CD1-CB 4.16Å; I71-F153 HydrophobicContact CD1-CD2 3.81Å; I71-F153 HydrophobicContact CD1-CE2 4.33Å; I71-F153 HydrophobicContact CD1-CG 3.97Å; I71-F153 HydrophobicContact CG1-CD2 4.42Å; I71-F153 HydrophobicContact CG1-CG 4.43Å; I71-P157 PolarHBondContact N-O 2.84Å; I71-V158 HydrophobicContact CB-CG2 4.32Å; I71-V158 HydrophobicContact CD1-CG2 4.33Å; I71-V158 WeakPolarHBondContact O-CA 3.42Å; I71-I159 PolarHBondContact O-N 2.97Å
72L98.8Very high94.8Very high0 Ų026.4 Ų26.40%015%0.154CC..EExtended strand (participates in β ladder)trans-86.4108.1170.1-48.3-177.1000107.2P70 I91 L94 A100 S101 V103 I159 F161P70-L72 HydrophobicContact CB-CD2 4.29Å; P70-L72 HydrophobicContact CG-CD2 3.98Å; L72-I91 HydrophobicContact CB-CG2 3.84Å; L72-I91 HydrophobicContact CD1-CG2 3.98Å; L72-L94 HydrophobicContact CD1-CB 3.84Å; L72-A100 HydrophobicContact CD1-CB 3.91Å; L72-A100 HydrophobicContact CD2-CB 4.15Å; L72-A100 HydrophobicContact CG-CB 3.66Å; L72-S101 PolarHBondContact N-O 2.98Å; L72-V103 PolarHBondContact O-N 3.02Å; L72-I159 HydrophobicContact CD2-CB 4.21Å; L72-I159 HydrophobicContact CD2-CG1 4.4Å; L72-F161 HydrophobicContact CB-CD2 4.31Å; L72-F161 HydrophobicContact CB-CE2 3.89Å; L72-F161 HydrophobicContact CD2-CE2 3.86Å; L72-F161 HydrophobicContact CD2-CZ 4.32Å; L72-F161 HydrophobicContact CG-CE2 4.31Å
73F98.9Very high94.7Very high0 Ų024 Ų240%014%0.142CC..EExtended strand (participates in β ladder)trans-111.5108.6-169.6-171.9-81.7000110.1I71 T75 V103 A105 Y139 L142 I143 V158 I159 A160 F161I71-F73 HydrophobicContact CG2-CB 4.44Å; F73-T75 HydrophobicContact CD1-CG2 4.05Å; F73-T75 HydrophobicContact CE1-CG2 4.08Å; F73-V103 CarbonylContact C-O 3.37Å; F73-V103 WeakPolarHBondContact CA-O 3.4Å; F73-V103 HydrophobicContact CD2-CB 3.92Å; F73-V103 HydrophobicContact CD2-CG1 3.72Å; F73-V103 HydrophobicContact CE2-CB 4.43Å; F73-V103 HydrophobicContact CE2-CG1 3.73Å; F73-A105 HydrophobicContact CE1-CB 3.93Å; F73-A105 HydrophobicContact CE2-CB 4.03Å; F73-A105 HydrophobicContact CZ-CB 3.37Å; F73-Y139 HydrophobicContact CE1-CD1 4.09Å; F73-Y139 HydrophobicContact CE1-CD2 4.25Å; F73-Y139 AromaticContact CE1-CG 3.78Å; F73-Y139 HydrophobicContact CE1-CG 3.78Å; F73-Y139 AromaticContact CZ-CD1 3.99Å; F73-Y139 HydrophobicContact CZ-CD1 3.99Å; F73-Y139 AromaticContact CZ-CG 3.99Å; F73-Y139 HydrophobicContact CZ-CG 3.99Å; F73-L142 HydrophobicContact CE2-CD2 3.97Å; F73-L142 HydrophobicContact CE2-CG 4.31Å; F73-L142 HydrophobicContact CZ-CD2 4.16Å; F73-I143 HydrophobicContact CD1-CD1 4.42Å; F73-I143 HydrophobicContact CD2-CD1 4.08Å; F73-I143 HydrophobicContact CD2-CG1 3.68Å; F73-I143 HydrophobicContact CE1-CD1 4.47Å; F73-I143 HydrophobicContact CE2-CD1 4.12Å; F73-I143 HydrophobicContact CE2-CG1 3.62Å; F73-I143 HydrophobicContact CG-CD1 4.22Å; F73-I143 HydrophobicContact CG-CG1 4.32Å; F73-I143 HydrophobicContact CZ-CD1 4.32Å; F73-I143 HydrophobicContact CZ-CG1 4.21Å; F73-V158 HydrophobicContact CB-CG1 3.76Å; F73-V158 HydrophobicContact CG-CG1 4.45Å; F73-I159 PolarHBondContact N-O 3.14Å; F73-A160 CarbonylContact O-C 3.52Å; F73-A160 VanDerWaalsContact O-CA 3.28Å; F73-A160 WeakPolarHBondContact O-CA 3.4Å; F73-F161 PolarHBondContact O-N 2.84Å
74Y98.9Very high94.8Very high4 Ų417.2 Ų17.22%0.01611%0.11CC..EExtended strand (participates in β ladder)trans-81.1121.4172.6-168.3-82.4000110.3G76 N77 I81 F84 S88 I91 V103 F104 A105 F161 G163 L445Y74-G76 PolarHBondContact O-N 3.01Å; Y74-N77 PolarHBondContact OH-OD1 3.03Å; Y74-I81 HydrophobicContact CD1-CD1 4.38Å; Y74-F84 HydrophobicContact CD1-CB 4.25Å; Y74-F84 HydrophobicContact CE1-CB 3.63Å; Y74-F84 HydrophobicContact CE1-CD1 4.45Å; Y74-F84 HydrophobicContact CE1-CD2 4.26Å; Y74-F84 AromaticContact CE1-CG 3.87Å; Y74-F84 HydrophobicContact CE1-CG 3.87Å; Y74-S88 WeakPolarHBondContact CE2-OG 3.3Å; Y74-I91 HydrophobicContact CD2-CD1 3.65Å; Y74-I91 HydrophobicContact CE2-CD1 4.46Å; Y74-V103 PolarHBondContact N-O 2.94Å; Y74-F104 VanDerWaalsContact CB-CE1 3.42Å; Y74-F104 AromaticContact CD1-CD1 3.66Å; Y74-F104 HydrophobicContact CD1-CD1 3.66Å; Y74-F104 HydrophobicContact CD1-CE1 4Å; Y74-F104 AromaticContact CD2-CD1 3.99Å; Y74-F104 HydrophobicContact CD2-CD1 3.99Å; Y74-F104 AromaticContact CD2-CE1 3.48Å; Y74-F104 HydrophobicContact CD2-CE1 3.48Å; Y74-F104 VanDerWaalsContact CD2-CE1 3.48Å; Y74-F104 HydrophobicContact CD2-CZ 4.3Å; Y74-F104 HydrophobicContact CE2-CE1 4.22Å; Y74-F104 AromaticContact CG-CD1 3.35Å; Y74-F104 HydrophobicContact CG-CD1 3.35Å; Y74-F104 AromaticContact CG-CE1 3.35Å; Y74-F104 HydrophobicContact CG-CE1 3.35Å; Y74-F104 HydrophobicContact CG-CG 4.3Å; Y74-F104 HydrophobicContact CG-CZ 4.34Å; Y74-A105 PolarHBondContact O-N 2.96Å; Y74-A105 VanDerWaalsContact O-N 3.13Å; Y74-F161 CarbonylContact C-O 3.56Å; Y74-F161 VanDerWaalsContact CA-O 3.25Å; Y74-F161 WeakPolarHBondContact CA-O 3.4Å; Y74-F161 HydrophobicContact CD2-CB 4.16Å; Y74-G163 PolarHBondContact OH-N 2.75Å; Y74-L445 HydrophobicContact CE2-CD1 4.36Å
75T98.9Very high94.9Very high0 Ų015.6 Ų15.60%010%0.099CC..EExtended strand (participates in β ladder)trans-8192.8173.951.50000108.7F73 Y139 A160 F161 G166 S170 I173F73-T75 HydrophobicContact CD1-CG2 4.05Å; F73-T75 HydrophobicContact CE1-CG2 4.08Å; T75-Y139 HydrophobicContact CG2-CD2 3.76Å; T75-Y139 HydrophobicContact CG2-CE2 3.95Å; T75-A160 HydrophobicContact CG2-CB 4.48Å; T75-F161 PolarHBondContact N-O 2.96Å; T75-F161 PolarHBondContact OG1-O 3.38Å; T75-G166 WeakPolarHBondContact O-CA 3.4Å; T75-G166 PolarHBondContact OG1-O 3.42Å; T75-S170 PolarHBondContact OG1-N 3.12Å; T75-S170 PolarHBondContact OG1-OG 2.89Å; T75-I173 HydrophobicContact CG2-CD1 4.5Å; T75-I173 HydrophobicContact CG2-CG2 4.23Å
76G98.5Very high94.8Very high0 Ų014.9 Ų14.90%010%0.096CC..  trans-51.9153.1179.600000112.6Y74 A105 Y139 L169Y74-G76 PolarHBondContact O-N 3.01Å; G76-A105 WeakPolarHBondContact CA-O 3.07Å; G76-A105 PolarHBondContact N-O 2.55Å; G76-Y139 PolarHBondContact N-OH 3.32Å; G76-Y139 PolarHBondContact O-OH 2.8Å; G76-L169 VanDerWaalsContact O-CD1 3.25Å; G76-L169 WeakPolarHBondContact O-CD1 3.3Å
77N96Very high94.9Very high2 Ų212.8 Ų12.81%0.0118%0.082CC..  trans-132.6-141.8-17161.4-71.7000110.2Y74 G79 F84 H107 Y165 G166Y74-N77 PolarHBondContact OH-OD1 3.03Å; N77-G79 PolarHBondContact O-N 3.45Å; N77-F84 HydrophobicContact CB-CZ 4.47Å; N77-F84 VanDerWaalsContact ND2-CE1 3.33Å; N77-F84 WeakPolarHBondContact ND2-CE1 3.44Å; N77-F84 VanDerWaalsContact ND2-CZ 3.3Å; N77-F84 WeakPolarHBondContact ND2-CZ 3.28Å; N77-F84 WeakPolarHBondContact OD1-CD1 3.35Å; N77-F84 WeakPolarHBondContact OD1-CE1 3.42Å; N77-F84 WeakPolarHBondContact OD1-CE2 3.24Å; N77-F84 WeakPolarHBondContact OD1-CZ 3.5Å; N77-H107 VanDerWaalsContact O-CB 3.25Å; N77-H107 WeakPolarHBondContact O-CB 3.38Å; N77-Y165 HydrophobicContact CB-CD1 3.78Å; N77-Y165 HydrophobicContact CB-CG 4.34Å; N77-G166 VanDerWaalsContact CB-N 3.32Å
78E93.9Very high95.4Very high2 Ų27.8 Ų7.81%0.0095%0.05CC..SBendtrans-80.147.8-165.468.8-71.9171.400115.1F15 W24 Y110 Y165 W344F15-E78 HydrophobicContact CD1-CG 3.84Å; F15-E78 WeakPolarHBondContact CD1-OE1 3.47Å; F15-E78 HydrophobicContact CE1-CG 3.78Å; F15-E78 WeakPolarHBondContact CE1-OE1 3.36Å; F15-E78 WeakPolarHBondContact CZ-OE1 3.47Å; W24-E78 HydrophobicContact CZ2-CG 4.28Å; W24-E78 PolarHBondContact NE1-O 3.25Å; E78-Y110 HydrophobicContact CB-CD1 4.29Å; E78-Y110 HydrophobicContact CB-CE1 3.57Å; E78-Y110 HydrophobicContact CB-CE2 4.46Å; E78-Y165 WeakPolarHBondContact OE2-CB 3.28Å; E78-Y165 WeakPolarHBondContact OE2-CD1 3.47Å; E78-W344 HydrophobicContact CB-CB 4.29Å; E78-W344 HydrophobicContact CB-CD2 4.21Å; E78-W344 HydrophobicContact CB-CE3 3.56Å; E78-W344 HydrophobicContact CB-CZ3 4.29Å; E78-W344 HydrophobicContact CG-CD2 4.08Å; E78-W344 HydrophobicContact CG-CE3 3.75Å; E78-W344 HydrophobicContact CG-CG 4.48Å; E78-W344 HydrophobicContact CG-CZ3 4.32Å
79G91.6Very high96Very high1 Ų16.3 Ų6.31%0.014%0.035CC..SBendtrans-176-175.1178.700000114.8N77 I81 F84N77-G79 PolarHBondContact O-N 3.45Å; G79-I81 PolarHBondContact O-N 2.87Å; G79-F84 WeakPolarHBondContact O-CE2 3.5Å
80P92.2Very high96.2Very high20 Ų206.2 Ų6.213%0.133%0.033CC..  trans-64.3130.5178.5-19.133.2000110.8E82 T83 D340P80-E82 PolarHBondContact O-N 3.27Å; P80-E82 VanDerWaalsContact O-N 3.14Å; P80-T83 WeakPolarHBondContact O-CB 3.5Å; P80-T83 PolarHBondContact O-N 3.19Å; P80-D340 WeakPolarHBondContact CD-OD2 3.35Å
81I95.9Very high96.2Very high0 Ų06.1 Ų6.10%03%0.033CC..Hα-helixtrans-60.9-29.8-173.8-165.454.8000113.7R57 L59 Y74 G79 T83 F84 A85 F104 A105 E106R57-I81 HydrophobicContact CG-CG2 4.3Å; L59-I81 HydrophobicContact CD1-CG2 4.12Å; L59-I81 HydrophobicContact CD2-CG2 4.21Å; L59-I81 HydrophobicContact CG-CG1 4.49Å; L59-I81 HydrophobicContact CG-CG2 3.97Å; Y74-I81 HydrophobicContact CD1-CD1 4.38Å; G79-I81 PolarHBondContact O-N 2.87Å; I81-T83 VanDerWaalsContact C-N 3.34Å; I81-T83 PolarHBondContact O-N 2.83Å; I81-F84 HydrophobicContact CD1-CD2 4.18Å; I81-F84 PolarHBondContact O-N 2.92Å; I81-A85 PolarHBondContact O-N 3.49Å; I81-A85 VanDerWaalsContact O-N 3.1Å; I81-F104 HydrophobicContact CD1-CB 3.82Å; I81-F104 HydrophobicContact CD1-CD1 4.37Å; I81-F104 HydrophobicContact CG1-CB 3.7Å; I81-A105 VanDerWaalsContact CD1-O 3.3Å; I81-A105 WeakPolarHBondContact CD1-O 3.16Å; I81-E106 HydrophobicContact CB-CB 3.75Å; I81-E106 HydrophobicContact CB-CG 4.05Å; I81-E106 WeakPolarHBondContact CB-OE1 3.47Å; I81-E106 HydrophobicContact CG1-CB 4.25Å; I81-E106 HydrophobicContact CG2-CB 4.03Å; I81-E106 HydrophobicContact CG2-CG 4.41Å; I81-E106 WeakPolarHBondContact CG2-OE1 3.4Å; I81-E106 PolarHBondContact N-OE1 3.46Å
82E94.4Very high96.1Very high43 Ų436.6 Ų6.620%0.2013%0.034CC..Hα-helixtrans-59.9-43175.1-64.686.1174.600111.5R57 L59 P80 F84 A85 E86R57-E82 VanDerWaalsContact CZ-CD 3.49Å; R57-E82 IonicContact CZ-OE1 3.36Å; R57-E82 IonicContact CZ-OE2 2.84Å; R57-E82 IonicContact NE-OE1 3.34Å; R57-E82 IonicContact NE-OE2 2.76Å; R57-E82 VanDerWaalsContact NH1-CD 3.33Å; R57-E82 IonicContact NH1-OE1 3.92Å; R57-E82 PolarHBondContact NH1-OE1 2.89Å; R57-E82 IonicContact NH1-OE2 3.45Å; R57-E82 PolarHBondContact NH1-OE2 3.29Å; R57-E82 IonicContact NH2-OE1 2.74Å; R57-E82 IonicContact NH2-OE2 3.51Å; R57-E82 PolarHBondContact NH2-OE2 3.06Å; L59-E82 HydrophobicContact CD1-CG 4.24Å; P80-E82 PolarHBondContact O-N 3.27Å; P80-E82 VanDerWaalsContact O-N 3.14Å; E82-F84 PolarHBondContact O-N 3Å; E82-A85 WeakPolarHBondContact O-CB 3.3Å; E82-A85 PolarHBondContact O-N 3.14Å; E82-E86 VanDerWaalsContact O-CG 3.25Å; E82-E86 WeakPolarHBondContact O-CG 3.5Å; E82-E86 PolarHBondContact O-N 2.88Å
83T92Very high96Very high2 Ų210.1 Ų10.11%0.0125%0.05CC..Hα-helixtrans-56.6-41-179.6-60.70000111.8W24 S25 P80 I81 N87 L281W24-T83 HydrophobicContact CB-CG2 4.19Å; W24-T83 HydrophobicContact CD2-CG2 4.38Å; W24-T83 HydrophobicContact CE3-CG2 3.88Å; S25-T83 WeakPolarHBondContact O-CG2 3.49Å; S25-T83 PolarHBondContact O-OG1 2.96Å; P80-T83 WeakPolarHBondContact O-CB 3.5Å; P80-T83 PolarHBondContact O-N 3.19Å; I81-T83 VanDerWaalsContact C-N 3.34Å; I81-T83 PolarHBondContact O-N 2.83Å; T83-N87 WeakPolarHBondContact O-CB 3.32Å; T83-N87 PolarHBondContact O-N 2.95Å; T83-N87 PolarHBondContact O-ND2 2.97Å; T83-L281 HydrophobicContact CG2-CD1 4.27Å
84F95.3Very high96Very high9 Ų910.1 Ų10.14%0.0395%0.05CC..Hα-helixtrans-71-39.5177.4-54.7-58000112.2W24 Y74 N77 G79 I81 E82 E86 N87 S88 F104W24-F84 AromaticContact CH2-CE1 3.98Å; W24-F84 HydrophobicContact CH2-CE1 3.98Å; W24-F84 HydrophobicContact CH2-CZ 4.42Å; W24-F84 HydrophobicContact CZ2-CE1 4.2Å; W24-F84 HydrophobicContact CZ2-CZ 4.19Å; W24-F84 HydrophobicContact CZ3-CE1 4.32Å; Y74-F84 HydrophobicContact CD1-CB 4.25Å; Y74-F84 HydrophobicContact CE1-CB 3.63Å; Y74-F84 HydrophobicContact CE1-CD1 4.45Å; Y74-F84 HydrophobicContact CE1-CD2 4.26Å; Y74-F84 AromaticContact CE1-CG 3.87Å; Y74-F84 HydrophobicContact CE1-CG 3.87Å; N77-F84 HydrophobicContact CB-CZ 4.47Å; N77-F84 VanDerWaalsContact ND2-CE1 3.33Å; N77-F84 WeakPolarHBondContact ND2-CE1 3.44Å; N77-F84 VanDerWaalsContact ND2-CZ 3.3Å; N77-F84 WeakPolarHBondContact ND2-CZ 3.28Å; N77-F84 WeakPolarHBondContact OD1-CD1 3.35Å; N77-F84 WeakPolarHBondContact OD1-CE1 3.42Å; N77-F84 WeakPolarHBondContact OD1-CE2 3.24Å; N77-F84 WeakPolarHBondContact OD1-CZ 3.5Å; G79-F84 WeakPolarHBondContact O-CE2 3.5Å; I81-F84 HydrophobicContact CD1-CD2 4.18Å; I81-F84 PolarHBondContact O-N 2.92Å; E82-F84 PolarHBondContact O-N 3Å; F84-E86 VanDerWaalsContact C-N 3.34Å; F84-E86 PolarHBondContact O-N 2.81Å; F84-N87 PolarHBondContact O-N 3.23Å; F84-S88 WeakPolarHBondContact O-CB 3.47Å; F84-S88 PolarHBondContact O-N 2.92Å; F84-S88 PolarHBondContact O-OG 2.63Å; F84-F104 HydrophobicContact CB-CD1 4.44Å
85A96.5Very high95.9Very high0 Ų010.2 Ų10.20%05%0.051CC..Hα-helixtrans-59.7-44.2174.400000112Y34 L59 I81 E82 N87 W92 F104Y34-A85 HydrophobicContact CE1-CB 4.43Å; L59-A85 HydrophobicContact CD1-CB 3.6Å; I81-A85 PolarHBondContact O-N 3.49Å; I81-A85 VanDerWaalsContact O-N 3.1Å; E82-A85 WeakPolarHBondContact O-CB 3.3Å; E82-A85 PolarHBondContact O-N 3.14Å; A85-N87 VanDerWaalsContact C-N 3.3Å; A85-N87 PolarHBondContact O-N 2.89Å; A85-W92 HydrophobicContact CB-CZ2 4.15Å; A85-W92 PolarHBondContact O-NE1 3.41Å; A85-F104 VanDerWaalsContact CA-CE1 3.49Å; A85-F104 HydrophobicContact CB-CD1 3.98Å; A85-F104 HydrophobicContact CB-CD2 4.17Å; A85-F104 HydrophobicContact CB-CE1 4.17Å; A85-F104 HydrophobicContact CB-CE2 4.31Å; A85-F104 HydrophobicContact CB-CG 4.02Å; A85-F104 HydrophobicContact CB-CZ 4.34Å
86E94.6Very high95.8Very high16 Ų1617.4 Ų17.48%0.0758%0.078CC..Hα-helixtrans-73.1-19.2-179.1-59.3-57.7164.200113.6N29 F32 Y34 E82 F84N29-E86 WeakPolarHBondContact CA-OE2 3.5Å; N29-E86 WeakPolarHBondContact CB-OE2 3.33Å; N29-E86 PolarHBondContact N-OE2 3.21Å; F32-E86 WeakPolarHBondContact CD2-OE2 3.44Å; Y34-E86 VanDerWaalsContact CE1-OE1 3.28Å; Y34-E86 WeakPolarHBondContact CE1-OE1 3.39Å; Y34-E86 PolarHBondContact OH-OE1 2.88Å; E82-E86 VanDerWaalsContact O-CG 3.25Å; E82-E86 WeakPolarHBondContact O-CG 3.5Å; E82-E86 PolarHBondContact O-N 2.88Å; F84-E86 VanDerWaalsContact C-N 3.34Å; F84-E86 PolarHBondContact O-N 2.81Å
87N94.6Very high95.7Very high17 Ų1721.3 Ų21.39%0.09110%0.096CC..Hα-helixtrans-108.1-3.5-179-78.7-86.1000114.6T83 F84 A85 S280 L281 R446T83-N87 WeakPolarHBondContact O-CB 3.32Å; T83-N87 PolarHBondContact O-N 2.95Å; T83-N87 PolarHBondContact O-ND2 2.97Å; F84-N87 PolarHBondContact O-N 3.23Å; A85-N87 VanDerWaalsContact C-N 3.3Å; A85-N87 PolarHBondContact O-N 2.89Å; N87-S280 PolarHBondContact OD1-O 2.86Å; N87-L281 HydrophobicContact CB-CD1 3.92Å; N87-R446 WeakPolarHBondContact O-CA 3.49Å; N87-R446 PolarHBondContact OD1-NH1 2.86Å; N87-R446 PolarHBondContact OD1-NH2 3.38Å; N87-R446 VanDerWaalsContact OD1-NH2 3.16Å
88S97Very high95.8Very high6 Ų622.3 Ų22.34%0.04210%0.101CC..  trans-106.146.7-178.8-55.60000112.9Y74 F84 F90 I91 L445Y74-S88 WeakPolarHBondContact CE2-OG 3.3Å; F84-S88 WeakPolarHBondContact O-CB 3.47Å; F84-S88 PolarHBondContact O-N 2.92Å; F84-S88 PolarHBondContact O-OG 2.63Å; S88-F90 PolarHBondContact O-N 2.99Å; S88-I91 PolarHBondContact O-N 2.93Å; S88-L445 CarbonylContact C-O 3.06Å; S88-L445 WeakPolarHBondContact CA-O 3.16Å
89G96.8Very high95.9Very high3 Ų325.9 Ų25.93%0.03112%0.12CC..Hα-helixtrans-49.3-30.6-176.700000116.5I91 W92 K93 L445 T447G89-I91 VanDerWaalsContact C-N 3.29Å; G89-I91 PolarHBondContact O-N 3.36Å; G89-W92 PolarHBondContact O-N 2.87Å; G89-K93 PolarHBondContact O-N 3.47Å; G89-K93 VanDerWaalsContact O-N 3.11Å; G89-L445 PolarHBondContact N-O 3.42Å; G89-L445 VanDerWaalsContact N-O 3.16Å; G89-T447 WeakPolarHBondContact CA-OG1 3.36Å
90F98.2Very high96.2Very high3 Ų325.8 Ų25.81%0.01312%0.12CC..Hα-helixtrans-63.7-35.5179.7-178.3-130000112.3S88 W92 K93 L94 D444 L445 R446 P448 R460 E463S88-F90 PolarHBondContact O-N 2.99Å; F90-W92 PolarHBondContact O-N 2.92Å; F90-K93 WeakPolarHBondContact O-CB 3.31Å; F90-K93 PolarHBondContact O-N 2.94Å; F90-L94 HydrophobicContact CD1-CD1 4.04Å; F90-L94 HydrophobicContact CD2-CG 4.25Å; F90-L94 HydrophobicContact CE1-CD1 3.6Å; F90-L94 HydrophobicContact CE1-CG 4.16Å; F90-L94 HydrophobicContact CE2-CD1 4.24Å; F90-L94 HydrophobicContact CE2-CD2 3.92Å; F90-L94 HydrophobicContact CE2-CG 3.86Å; F90-L94 HydrophobicContact CZ-CD1 3.71Å; F90-L94 HydrophobicContact CZ-CD2 3.81Å; F90-L94 HydrophobicContact CZ-CG 3.81Å; F90-L94 WeakPolarHBondContact O-CG 3.43Å; F90-L94 PolarHBondContact O-N 3.11Å; F90-D444 WeakPolarHBondContact CB-O 3.24Å; F90-L445 WeakPolarHBondContact CB-O 3.11Å; F90-L445 PolarHBondContact N-O 3.03Å; F90-R446 PolarHBondContact N-O 3.25Å; F90-P448 HydrophobicContact CD2-CG 4.46Å; F90-R460 HydrophobicContact CD1-CG 4.23Å; F90-R460 HydrophobicContact CD2-CB 4.38Å; F90-R460 HydrophobicContact CD2-CG 4.11Å; F90-R460 HydrophobicContact CE1-CB 4.21Å; F90-R460 HydrophobicContact CE1-CG 4.05Å; F90-R460 HydrophobicContact CE2-CB 3.74Å; F90-R460 HydrophobicContact CE2-CG 3.95Å; F90-R460 HydrophobicContact CG-CG 4.27Å; F90-R460 HydrophobicContact CZ-CB 3.64Å; F90-R460 HydrophobicContact CZ-CG 3.91Å; F90-R460 WeakPolarHBondContact CZ-O 3.5Å; F90-E463 HydrophobicContact CE1-CB 4.25Å; F90-E463 VanDerWaalsContact CE1-OE2 3.22Å; F90-E463 WeakPolarHBondContact CE1-OE2 3.28Å
91I98.3Very high96.5Very high0 Ų024.9 Ų24.90%011%0.114CC..Hα-helixtrans-64.4-42.8177.8-58.1176.3000110.4L72 Y74 S88 G89 K93 L94 S95 V102 F104 F161L72-I91 HydrophobicContact CB-CG2 3.84Å; L72-I91 HydrophobicContact CD1-CG2 3.98Å; Y74-I91 HydrophobicContact CD2-CD1 3.65Å; Y74-I91 HydrophobicContact CE2-CD1 4.46Å; S88-I91 PolarHBondContact O-N 2.93Å; G89-I91 VanDerWaalsContact C-N 3.29Å; G89-I91 PolarHBondContact O-N 3.36Å; I91-K93 VanDerWaalsContact C-N 3.34Å; I91-K93 PolarHBondContact O-N 3.37Å; I91-L94 PolarHBondContact O-N 2.98Å; I91-S95 PolarHBondContact O-N 2.71Å; I91-V102 HydrophobicContact CG2-CG1 4.12Å; I91-V102 HydrophobicContact CG2-CG2 4.45Å; I91-F104 HydrophobicContact CB-CZ 4.5Å; I91-F104 HydrophobicContact CD1-CE1 4.38Å; I91-F104 HydrophobicContact CD1-CZ 3.95Å; I91-F161 HydrophobicContact CD1-CB 3.55Å; I91-F161 HydrophobicContact CD1-CD1 3.96Å; I91-F161 HydrophobicContact CD1-CD2 4.38Å; I91-F161 HydrophobicContact CD1-CG 3.73Å; I91-F161 HydrophobicContact CG1-CB 4.35Å; I91-F161 HydrophobicContact CG1-CD1 3.82Å; I91-F161 HydrophobicContact CG1-CE1 4.19Å; I91-F161 HydrophobicContact CG1-CG 4.01Å
92W97.6Very high96.6Very high10 Ų1024.9 Ų24.94%0.03811%0.114CC..Hα-helixtrans-62.7-40.6175.9-59.2103.6000111.9F32 Y34 N61 A85 G89 F90 S95 V102 F104F32-W92 HydrophobicContact CB-CD2 4.36Å; F32-W92 HydrophobicContact CB-CZ2 4.41Å; F32-W92 HydrophobicContact CD1-CB 3.94Å; F32-W92 AromaticContact CD1-CD1 3.68Å; F32-W92 HydrophobicContact CD1-CD2 4.04Å; F32-W92 AromaticContact CD1-CG 3.6Å; F32-W92 HydrophobicContact CD1-CG 3.6Å; F32-W92 AromaticContact CD2-NE1 3.9Å; F32-W92 HydrophobicContact CE1-CB 3.85Å; F32-W92 AromaticContact CE1-CD1 3.67Å; F32-W92 AromaticContact CE1-CG 3.8Å; F32-W92 HydrophobicContact CE1-CG 3.8Å; F32-W92 AromaticContact CG-CD1 3.9Å; F32-W92 HydrophobicContact CG-CD2 4.22Å; F32-W92 HydrophobicContact CG-CG 4.12Å; F32-W92 AromaticContact CG-NE1 3.83Å; F32-W92 AromaticContact CZ-CD1 3.86Å; F32-W92 HydrophobicContact CZ-CG 4.43Å; Y34-W92 AromaticContact CD1-CH2 3.78Å; Y34-W92 HydrophobicContact CD1-CH2 3.78Å; Y34-W92 AromaticContact CD1-CZ2 3.98Å; Y34-W92 HydrophobicContact CD1-CZ2 3.98Å; Y34-W92 HydrophobicContact CG-CH2 4.31Å; N61-W92 HydrophobicContact CB-CH2 4.45Å; N61-W92 HydrophobicContact CB-CZ3 3.74Å; A85-W92 HydrophobicContact CB-CZ2 4.15Å; A85-W92 PolarHBondContact O-NE1 3.41Å; G89-W92 PolarHBondContact O-N 2.87Å; F90-W92 PolarHBondContact O-N 2.92Å; W92-S95 PolarHBondContact O-N 3.38Å; W92-S95 PolarHBondContact O-OG 3.06Å; W92-V102 HydrophobicContact CE3-CB 4.37Å; W92-V102 HydrophobicContact CE3-CG1 4.17Å; W92-V102 HydrophobicContact CE3-CG2 4.2Å; W92-V102 HydrophobicContact CH2-CB 4.44Å; W92-V102 HydrophobicContact CH2-CG1 3.87Å; W92-V102 HydrophobicContact CZ2-CG1 4.23Å; W92-V102 HydrophobicContact CZ3-CB 4.02Å; W92-V102 HydrophobicContact CZ3-CG1 3.86Å; W92-V102 HydrophobicContact CZ3-CG2 4.32Å; W92-F104 AromaticContact CE2-CE2 3.83Å; W92-F104 HydrophobicContact CH2-CD2 4.43Å; W92-F104 HydrophobicContact CH2-CE2 4.21Å; W92-F104 AromaticContact CZ2-CD2 4Å; W92-F104 HydrophobicContact CZ2-CD2 4Å; W92-F104 AromaticContact CZ2-CE2 3.52Å; W92-F104 HydrophobicContact CZ2-CE2 3.52Å; W92-F104 HydrophobicContact CZ2-CZ 4.35Å
93K96.8Very high96.8Very high75 Ų7522.9 Ų22.933%0.32610%0.104SC..Hα-helixtrans-60.7-50.9172.3176.9-179.2171.2-175.80111.5G89 F90 I91 S95 R96 E97 P448G89-K93 PolarHBondContact O-N 3.47Å; G89-K93 VanDerWaalsContact O-N 3.11Å; F90-K93 WeakPolarHBondContact O-CB 3.31Å; F90-K93 PolarHBondContact O-N 2.94Å; I91-K93 VanDerWaalsContact C-N 3.34Å; I91-K93 PolarHBondContact O-N 3.37Å; K93-S95 PolarHBondContact O-N 3.05Å; K93-R96 PolarHBondContact O-N 3.34Å; K93-E97 WeakPolarHBondContact CE-OE1 3.15Å; K93-E97 IonicContact NZ-OE1 3.97Å; K93-E97 PolarHBondContact O-N 3.08Å; K93-P448 HydrophobicContact CD-CG 3.78Å
94L98Very high97.1Very high0 Ų022.8 Ų22.80%010%0.104CC..Hα-helixtrans-58.8-34.7178.9-73.1178.7000112.2L72 F90 I91 R96 E97 L98 F161 K464 I467L72-L94 HydrophobicContact CD1-CB 3.84Å; F90-L94 HydrophobicContact CD1-CD1 4.04Å; F90-L94 HydrophobicContact CD2-CG 4.25Å; F90-L94 HydrophobicContact CE1-CD1 3.6Å; F90-L94 HydrophobicContact CE1-CG 4.16Å; F90-L94 HydrophobicContact CE2-CD1 4.24Å; F90-L94 HydrophobicContact CE2-CD2 3.92Å; F90-L94 HydrophobicContact CE2-CG 3.86Å; F90-L94 HydrophobicContact CZ-CD1 3.71Å; F90-L94 HydrophobicContact CZ-CD2 3.81Å; F90-L94 HydrophobicContact CZ-CG 3.81Å; F90-L94 WeakPolarHBondContact O-CG 3.43Å; F90-L94 PolarHBondContact O-N 3.11Å; I91-L94 PolarHBondContact O-N 2.98Å; L94-R96 VanDerWaalsContact C-N 3.29Å; L94-R96 PolarHBondContact O-N 3.12Å; L94-E97 PolarHBondContact O-N 2.66Å; L94-L98 HydrophobicContact CB-CD1 4.26Å; L94-L98 HydrophobicContact CD2-CD1 4.33Å; L94-L98 VanDerWaalsContact O-CB 3.29Å; L94-L98 WeakPolarHBondContact O-CB 3.19Å; L94-L98 WeakPolarHBondContact O-CG 3.48Å; L94-L98 PolarHBondContact O-N 2.69Å; L94-F161 HydrophobicContact CD1-CE1 4.02Å; L94-F161 HydrophobicContact CD1-CZ 3.89Å; L94-K464 HydrophobicContact CD2-CB 3.99Å; L94-K464 HydrophobicContact CD2-CD 4.21Å; L94-K464 HydrophobicContact CD2-CG 3.91Å; L94-I467 HydrophobicContact CD1-CD1 3.78Å
95S97.4Very high97.3Very high5 Ų522.4 Ų22.44%0.03510%0.102CC..Hα-helixtrans-58.9-40.9179.678.20000113.2I91 W92 K93 N99 A100I91-S95 PolarHBondContact O-N 2.71Å; W92-S95 PolarHBondContact O-N 3.38Å; W92-S95 PolarHBondContact O-OG 3.06Å; K93-S95 PolarHBondContact O-N 3.05Å; S95-N99 WeakPolarHBondContact O-CA 3.37Å; S95-N99 PolarHBondContact O-N 2.98Å; S95-N99 VanDerWaalsContact O-N 3.14Å; S95-A100 PolarHBondContact O-N 3.16Å
96R95.9Very high97.4Very high152 Ų15222.4 Ų22.457%0.57410%0.102SC*.Hα-helixtrans-70.5-38.6176.5-66-176.9-71.3-134.41.3112K93 L94K93-R96 PolarHBondContact O-N 3.34Å; L94-R96 VanDerWaalsContact C-N 3.29Å; L94-R96 PolarHBondContact O-N 3.12Å
97E97.1Very high97.6Very high81 Ų8121.6 Ų21.638%0.37910%0.099SC..Hα-helixtrans-77.1-27.7-177.7-66.2-177.1-174.900113.5K93 L94 K464K93-E97 WeakPolarHBondContact CE-OE1 3.15Å; K93-E97 IonicContact NZ-OE1 3.97Å; K93-E97 PolarHBondContact O-N 3.08Å; L94-E97 PolarHBondContact O-N 2.66Å; E97-K464 WeakPolarHBondContact OE2-CD 3.09Å; E97-K464 WeakPolarHBondContact OE2-CE 3.31Å; E97-K464 IonicContact OE2-NZ 3.69Å; E97-K464 PolarHBondContact OE2-NZ 2.78Å
98L97.4Very high97.8Very high24 Ų2420.8 Ų20.813%0.1269%0.094CC..THydrogen-bonded Turntrans-106.75-175.7-58.2179.2000113.2P70 L94 A100 I467 I468 I471P70-L98 WeakPolarHBondContact CD-O 3.16Å; P70-L98 HydrophobicContact CG-CB 4.28Å; L94-L98 HydrophobicContact CB-CD1 4.26Å; L94-L98 HydrophobicContact CD2-CD1 4.33Å; L94-L98 VanDerWaalsContact O-CB 3.29Å; L94-L98 WeakPolarHBondContact O-CB 3.19Å; L94-L98 WeakPolarHBondContact O-CG 3.48Å; L94-L98 PolarHBondContact O-N 2.69Å; L98-A100 VanDerWaalsContact C-N 3.25Å; L98-A100 HydrophobicContact CB-CB 4.42Å; L98-A100 PolarHBondContact O-N 3Å; L98-I467 HydrophobicContact CD1-CG2 3.64Å; L98-I468 HydrophobicContact CD2-CD1 4.06Å; L98-I468 HydrophobicContact CD2-CG1 3.62Å; L98-I471 HydrophobicContact CD1-CD1 4.34Å
99N96.7Very high97.8Very high76 Ų7620.5 Ų20.541%0.4069%0.092SC..THydrogen-bonded Turntrans49.846-172.5-51.5-48.8000112.6S64 F65 T66 S95S64-N99 CarbonylContact O-C 3.19Å; S64-N99 VanDerWaalsContact O-C 3.28Å; S64-N99 WeakPolarHBondContact O-CA 3.39Å; F65-N99 WeakPolarHBondContact CA-O 3.17Å; T66-N99 HydrophobicContact CG2-CB 4.07Å; T66-N99 PolarHBondContact N-O 3.04Å; T66-N99 WeakPolarHBondContact OG1-CB 3.49Å; S95-N99 WeakPolarHBondContact O-CA 3.37Å; S95-N99 PolarHBondContact O-N 2.98Å; S95-N99 VanDerWaalsContact O-N 3.14Å
100A98.1Very high97.8Very high0 Ų020.4 Ų20.40%09%0.091CC..  trans-96.7159-170.900000112.9P70 L72 S95 L98P70-A100 HydrophobicContact CG-CB 3.6Å; P70-A100 VanDerWaalsContact O-CA 3.3Å; P70-A100 WeakPolarHBondContact O-CA 3.5Å; P70-A100 WeakPolarHBondContact O-CB 3.28Å; L72-A100 HydrophobicContact CD1-CB 3.91Å; L72-A100 HydrophobicContact CD2-CB 4.15Å; L72-A100 HydrophobicContact CG-CB 3.66Å; S95-A100 PolarHBondContact O-N 3.16Å; L98-A100 VanDerWaalsContact C-N 3.25Å; L98-A100 HydrophobicContact CB-CB 4.42Å; L98-A100 PolarHBondContact O-N 3Å
101S98Very high97.6Very high0 Ų021 Ų210%010%0.098CC..EExtended strand (participates in β ladder)trans-88.4144.4160.8170.50000108.4N61 N62 P70 L72 F153N61-S101 WeakPolarHBondContact O-CA 3.26Å; N61-S101 PolarHBondContact O-OG 3.39Å; N62-S101 WeakPolarHBondContact OD1-CB 3.47Å; N62-S101 PolarHBondContact OD1-OG 3.13Å; P70-S101 PolarHBondContact O-N 3.29Å; L72-S101 PolarHBondContact N-O 2.98Å; S101-F153 WeakPolarHBondContact OG-CZ 3.25Å
102V98.4Very high97.4Very high1 Ų124.4 Ų24.41%0.00612%0.119CC..EExtended strand (participates in β ladder)trans-110.1130.9174.7-179.60000108.7I60 N61 I91 W92 F104I60-V102 CarbonylContact C-O 3.56Å; I60-V102 VanDerWaalsContact CA-O 3.3Å; I60-V102 WeakPolarHBondContact CA-O 3.28Å; N61-V102 HydrophobicContact CB-CB 4.48Å; N61-V102 PolarHBondContact N-O 3.4Å; N61-V102 PolarHBondContact O-N 3.43Å; I91-V102 HydrophobicContact CG2-CG1 4.12Å; I91-V102 HydrophobicContact CG2-CG2 4.45Å; W92-V102 HydrophobicContact CE3-CB 4.37Å; W92-V102 HydrophobicContact CE3-CG1 4.17Å; W92-V102 HydrophobicContact CE3-CG2 4.2Å; W92-V102 HydrophobicContact CH2-CB 4.44Å; W92-V102 HydrophobicContact CH2-CG1 3.87Å; W92-V102 HydrophobicContact CZ2-CG1 4.23Å; W92-V102 HydrophobicContact CZ3-CB 4.02Å; W92-V102 HydrophobicContact CZ3-CG1 3.86Å; W92-V102 HydrophobicContact CZ3-CG2 4.32Å; V102-F104 HydrophobicContact CG1-CD2 3.66Å; V102-F104 HydrophobicContact CG1-CE2 3.39Å
103V98.7Very high97.4Very high0 Ų023.9 Ų23.90%012%0.117CC..EExtended strand (participates in β ladder)trans-132.1123.3175.3178.90000109Y58 L59 I60 I71 L72 F73 Y74 L142 L146Y58-V103 HydrophobicContact CD2-CG1 4.14Å; L59-V103 CarbonylContact O-C 3.46Å; L59-V103 VanDerWaalsContact O-CA 3.27Å; L59-V103 WeakPolarHBondContact O-CA 3.46Å; I60-V103 HydrophobicContact CD1-CG2 4.18Å; I60-V103 HydrophobicContact CG1-CG2 4.1Å; I71-V103 HydrophobicContact CG2-CB 4.32Å; I71-V103 HydrophobicContact CG2-CG2 3.83Å; L72-V103 PolarHBondContact O-N 3.02Å; F73-V103 CarbonylContact C-O 3.37Å; F73-V103 WeakPolarHBondContact CA-O 3.4Å; F73-V103 HydrophobicContact CD2-CB 3.92Å; F73-V103 HydrophobicContact CD2-CG1 3.72Å; F73-V103 HydrophobicContact CE2-CB 4.43Å; F73-V103 HydrophobicContact CE2-CG1 3.73Å; Y74-V103 PolarHBondContact N-O 2.94Å; V103-L142 HydrophobicContact CG1-CD2 4.48Å; V103-L146 HydrophobicContact CG1-CD1 4.07Å; V103-L146 HydrophobicContact CG2-CD1 3.86Å
104F98.8Very high97.4Very high1 Ų122 Ų220%0.00411%0.11CC..EExtended strand (participates in β ladder)trans-109.7114168.3-75.8-105.5000108.5Y58 L59 Y74 I81 F84 A85 I91 W92 V102Y58-F104 CarbonylContact C-O 3.57Å; Y58-F104 WeakPolarHBondContact CA-O 3.49Å; Y58-F104 WeakPolarHBondContact CB-O 3.18Å; L59-F104 HydrophobicContact CB-CB 4.19Å; L59-F104 HydrophobicContact CD1-CB 4.36Å; L59-F104 HydrophobicContact CG-CB 4.4Å; L59-F104 PolarHBondContact N-O 3.05Å; L59-F104 PolarHBondContact O-N 3.29Å; Y74-F104 VanDerWaalsContact CB-CE1 3.42Å; Y74-F104 AromaticContact CD1-CD1 3.66Å; Y74-F104 HydrophobicContact CD1-CD1 3.66Å; Y74-F104 HydrophobicContact CD1-CE1 4Å; Y74-F104 AromaticContact CD2-CD1 3.99Å; Y74-F104 HydrophobicContact CD2-CD1 3.99Å; Y74-F104 AromaticContact CD2-CE1 3.48Å; Y74-F104 HydrophobicContact CD2-CE1 3.48Å; Y74-F104 VanDerWaalsContact CD2-CE1 3.48Å; Y74-F104 HydrophobicContact CD2-CZ 4.3Å; Y74-F104 HydrophobicContact CE2-CE1 4.22Å; Y74-F104 AromaticContact CG-CD1 3.35Å; Y74-F104 HydrophobicContact CG-CD1 3.35Å; Y74-F104 AromaticContact CG-CE1 3.35Å; Y74-F104 HydrophobicContact CG-CE1 3.35Å; Y74-F104 HydrophobicContact CG-CG 4.3Å; Y74-F104 HydrophobicContact CG-CZ 4.34Å; I81-F104 HydrophobicContact CD1-CB 3.82Å; I81-F104 HydrophobicContact CD1-CD1 4.37Å; I81-F104 HydrophobicContact CG1-CB 3.7Å; F84-F104 HydrophobicContact CB-CD1 4.44Å; A85-F104 VanDerWaalsContact CA-CE1 3.49Å; A85-F104 HydrophobicContact CB-CD1 3.98Å; A85-F104 HydrophobicContact CB-CD2 4.17Å; A85-F104 HydrophobicContact CB-CE1 4.17Å; A85-F104 HydrophobicContact CB-CE2 4.31Å; A85-F104 HydrophobicContact CB-CG 4.02Å; A85-F104 HydrophobicContact CB-CZ 4.34Å; I91-F104 HydrophobicContact CB-CZ 4.5Å; I91-F104 HydrophobicContact CD1-CE1 4.38Å; I91-F104 HydrophobicContact CD1-CZ 3.95Å; W92-F104 AromaticContact CE2-CE2 3.83Å; W92-F104 HydrophobicContact CH2-CD2 4.43Å; W92-F104 HydrophobicContact CH2-CE2 4.21Å; W92-F104 AromaticContact CZ2-CD2 4Å; W92-F104 HydrophobicContact CZ2-CD2 4Å; W92-F104 AromaticContact CZ2-CE2 3.52Å; W92-F104 HydrophobicContact CZ2-CE2 3.52Å; W92-F104 HydrophobicContact CZ2-CZ 4.35Å; V102-F104 HydrophobicContact CG1-CD2 3.66Å; V102-F104 HydrophobicContact CG1-CE2 3.39Å
105A98.8Very high97.4Very high0 Ų022.5 Ų22.50%011%0.113CC..EExtended strand (participates in β ladder)trans-99.6126.2-178.300000110.7F73 Y74 G76 I81 Y139 L142F73-A105 HydrophobicContact CE1-CB 3.93Å; F73-A105 HydrophobicContact CE2-CB 4.03Å; F73-A105 HydrophobicContact CZ-CB 3.37Å; Y74-A105 PolarHBondContact O-N 2.96Å; Y74-A105 VanDerWaalsContact O-N 3.13Å; G76-A105 WeakPolarHBondContact CA-O 3.07Å; G76-A105 PolarHBondContact N-O 2.55Å; I81-A105 VanDerWaalsContact CD1-O 3.3Å; I81-A105 WeakPolarHBondContact CD1-O 3.16Å; A105-Y139 HydrophobicContact CB-CD1 3.72Å; A105-Y139 HydrophobicContact CB-CE1 3.68Å; A105-L142 HydrophobicContact CB-CD2 3.62Å
106E98.7Very high97.4Very high0 Ų023.8 Ų23.80%012%0.118CC..PPolyproline II helixtrans-71.3140.7178.7-170.3155.8-96.200111.2I56 R57 I81 Y110 T112 S113I56-E106 WeakPolarHBondContact CG2-O 3.38Å; R57-E106 HydrophobicContact CB-CB 4.15Å; R57-E106 WeakPolarHBondContact CB-OE2 3.37Å; R57-E106 IonicContact CZ-OE1 3.51Å; R57-E106 VanDerWaalsContact CZ-OE1 3.26Å; R57-E106 IonicContact CZ-OE2 2.69Å; R57-E106 IonicContact NE-OE1 3.23Å; R57-E106 PolarHBondContact NE-OE1 3.21Å; R57-E106 VanDerWaalsContact NE-OE1 3.12Å; R57-E106 IonicContact NE-OE2 2.79Å; R57-E106 PolarHBondContact NE-OE2 2.77Å; R57-E106 IonicContact NH2-OE1 2.98Å; R57-E106 PolarHBondContact NH2-OE1 2.88Å; R57-E106 IonicContact NH2-OE2 3.78Å; R57-E106 WeakPolarHBondContact O-CB 3.36Å; R57-E106 PolarHBondContact O-N 2.84Å; I81-E106 HydrophobicContact CB-CB 3.75Å; I81-E106 HydrophobicContact CB-CG 4.05Å; I81-E106 WeakPolarHBondContact CB-OE1 3.47Å; I81-E106 HydrophobicContact CG1-CB 4.25Å; I81-E106 HydrophobicContact CG2-CB 4.03Å; I81-E106 HydrophobicContact CG2-CG 4.41Å; I81-E106 WeakPolarHBondContact CG2-OE1 3.4Å; I81-E106 PolarHBondContact N-OE1 3.46Å; E106-Y110 VanDerWaalsContact CD-O 3.31Å; E106-T112 PolarHBondContact OE2-N 2.85Å; E106-T112 PolarHBondContact OE2-OG1 3.02Å; E106-S113 WeakPolarHBondContact CB-OG 3.49Å; E106-S113 WeakPolarHBondContact CG-OG 3.13Å; E106-S113 PolarHBondContact OE2-N 3.19Å; E106-S113 VanDerWaalsContact OE2-N 3.13Å; E106-S113 PolarHBondContact OE2-OG 3.08Å
107H98.6Very high97.4Very high0 Ų018.2 Ų18.20%011%0.108CC..PPolyproline II helixtrans-71.8138.2175.4-167.2-67.8000110N77 Y109 Y110 T135 Y139 Y165N77-H107 VanDerWaalsContact O-CB 3.25Å; N77-H107 WeakPolarHBondContact O-CB 3.38Å; H107-Y109 PolarHBondContact O-N 3.44Å; H107-Y110 HydrophobicContact CB-CD2 3.66Å; H107-Y110 HydrophobicContact CB-CE2 4.4Å; H107-Y110 HydrophobicContact CB-CG 4.38Å; H107-Y110 AromaticContact CE1-CE2 3.83Å; H107-Y110 AromaticContact CG-CD2 3.61Å; H107-Y110 AromaticContact CG-CE2 3.92Å; H107-Y110 AromaticContact ND1-CD2 3.31Å; H107-Y110 VanDerWaalsContact ND1-CD2 3.31Å; H107-Y110 WeakPolarHBondContact ND1-CD2 3.37Å; H107-Y110 AromaticContact ND1-CE2 3.44Å; H107-Y110 WeakPolarHBondContact ND1-CE2 3.41Å; H107-Y110 PolarHBondContact O-N 2.91Å; H107-Y110 VanDerWaalsContact O-N 3.13Å; H107-T135 WeakPolarHBondContact CD2-CG2 3.45Å; H107-T135 PolarHBondContact CE1-OG1 2.78Å; H107-T135 PolarHBondContact ND1-OG1 2.9Å; H107-T135 WeakPolarHBondContact NE2-CG2 3.07Å; H107-T135 PolarHBondContact NE2-OG1 3.18Å; H107-Y139 WeakPolarHBondContact CA-OH 3.16Å; H107-Y165 AromaticContact CD2-CE1 3.65Å; H107-Y165 AromaticContact NE2-CE1 3.4Å; H107-Y165 WeakPolarHBondContact NE2-CE1 3.44Å; H107-Y165 AromaticContact NE2-CZ 3.61Å; H107-Y165 PolarHBondContact NE2-OH 2.78Å
108R98.2Very high97.1Very high0 Ų022.2 Ų22.20%013%0.132CC..THydrogen-bonded Turntrans-54.2142.4171.956166.359.7-151.2-4.5110.6R42 V43 H45 F54 Y110 S113 Y129 Q134 T135 D138R42-R108 PolarHBondContact O-NH2 2.97Å; V43-R108 PolarHBondContact O-NH1 3.41Å; H45-R108 PolarHBondContact CD2-NH2 3.46Å; H45-R108 PolarHBondContact NE2-NH2 2.84Å; F54-R108 HydrophobicContact CE2-CB 4.23Å; F54-R108 HydrophobicContact CZ-CB 3.85Å; R108-Y110 WeakPolarHBondContact O-CD2 3.27Å; R108-Y110 PolarHBondContact O-N 3.04Å; R108-S113 CarbonylContact C-O 3.6Å; R108-Y129 WeakPolarHBondContact CD-O 3.46Å; R108-Y129 PolarHBondContact NH1-O 2.82Å; R108-Q134 VanDerWaalsContact CZ-CB 3.46Å; R108-T135 WeakPolarHBondContact CG-OG1 3.46Å; R108-D138 IonicContact CZ-OD2 2.64Å; R108-D138 IonicContact NE-OD2 3.5Å; R108-D138 PolarHBondContact NE-OD2 3.05Å; R108-D138 IonicContact NH2-OD1 2.77Å; R108-D138 PolarHBondContact NH2-OD1 2.9Å; R108-D138 IonicContact NH2-OD2 3.01Å; R108-D138 PolarHBondContact NH2-OD2 3.14Å
109Y97.4Very high97Very high0 Ų024.9 Ų24.90%015%0.146CC..THydrogen-bonded Turntrans71.40.3-175.1-59.5-100.2000116.8H107 S113 L114 P115 S120 F121 H126 F127 Y129 L130H107-Y109 PolarHBondContact O-N 3.44Å; Y109-S113 PolarHBondContact N-O 2.87Å; Y109-L114 WeakPolarHBondContact O-CD2 3.41Å; Y109-P115 HydrophobicContact CD2-CG 3.98Å; Y109-P115 HydrophobicContact CE1-CG 4.19Å; Y109-P115 HydrophobicContact CE2-CG 3.53Å; Y109-P115 HydrophobicContact CG-CG 4.48Å; Y109-S120 WeakPolarHBondContact CE1-O 3.4Å; Y109-F121 HydrophobicContact CD1-CE1 4.48Å; Y109-F121 HydrophobicContact CD1-CE2 4.26Å; Y109-F121 HydrophobicContact CD1-CZ 4.09Å; Y109-F121 HydrophobicContact CG-CZ 4.5Å; Y109-H126 WeakPolarHBondContact CE1-O 3.36Å; Y109-H126 PolarHBondContact OH-O 2.81Å; Y109-F127 HydrophobicContact CE1-CB 4.46Å; Y109-Y129 WeakPolarHBondContact OH-CB 3.37Å; Y109-L130 HydrophobicContact CD1-CB 4.26Å; Y109-L130 HydrophobicContact CD1-CD2 4.42Å; Y109-L130 HydrophobicContact CD2-CB 3.6Å; Y109-L130 HydrophobicContact CD2-CD1 3.78Å; Y109-L130 HydrophobicContact CD2-CG 4.12Å; Y109-L130 HydrophobicContact CE1-CB 4.4Å; Y109-L130 HydrophobicContact CE2-CB 3.74Å; Y109-L130 HydrophobicContact CG-CB 3.88Å; Y109-L130 HydrophobicContact CG-CD1 4.01Å; Y109-L130 HydrophobicContact CG-CD2 4.06Å; Y109-L130 HydrophobicContact CG-CG 4.16Å
110Y96Very high97Very high0 Ų021.3 Ų21.30%013%0.127CC..SBendtrans-113.1154.8175.7-65.8-84.2000111.9E78 E106 H107 R108 T112 S113 L130 D340 W344 Q347E78-Y110 HydrophobicContact CB-CD1 4.29Å; E78-Y110 HydrophobicContact CB-CE1 3.57Å; E78-Y110 HydrophobicContact CB-CE2 4.46Å; E106-Y110 VanDerWaalsContact CD-O 3.31Å; H107-Y110 HydrophobicContact CB-CD2 3.66Å; H107-Y110 HydrophobicContact CB-CE2 4.4Å; H107-Y110 HydrophobicContact CB-CG 4.38Å; H107-Y110 AromaticContact CE1-CE2 3.83Å; H107-Y110 AromaticContact CG-CD2 3.61Å; H107-Y110 AromaticContact CG-CE2 3.92Å; H107-Y110 AromaticContact ND1-CD2 3.31Å; H107-Y110 VanDerWaalsContact ND1-CD2 3.31Å; H107-Y110 WeakPolarHBondContact ND1-CD2 3.37Å; H107-Y110 AromaticContact ND1-CE2 3.44Å; H107-Y110 WeakPolarHBondContact ND1-CE2 3.41Å; H107-Y110 PolarHBondContact O-N 2.91Å; H107-Y110 VanDerWaalsContact O-N 3.13Å; R108-Y110 WeakPolarHBondContact O-CD2 3.27Å; R108-Y110 PolarHBondContact O-N 3.04Å; Y110-T112 PolarHBondContact O-N 2.89Å; Y110-S113 PolarHBondContact O-N 2.77Å; Y110-L130 HydrophobicContact CE2-CD1 4.12Å; Y110-D340 HydrophobicContact CD1-CB 3.91Å; Y110-D340 HydrophobicContact CE1-CB 4.34Å; Y110-D340 WeakPolarHBondContact CE1-O 3.3Å; Y110-W344 VanDerWaalsContact OH-CA 3.29Å; Y110-W344 WeakPolarHBondContact OH-CA 3.33Å; Y110-W344 PolarHBondContact OH-N 3.43Å; Y110-W344 VanDerWaalsContact OH-N 3.08Å; Y110-Q347 VanDerWaalsContact CE2-OE1 3.29Å; Y110-Q347 PolarHBondContact OH-OE1 2.87Å
111G94Very high96.8Very high15 Ų1523.7 Ų23.716%0.15514%0.137CC..THydrogen-bonded Turntrans54.8-111.8-177.700000111.9D340G111-D340 PolarHBondContact N-OD1 3.3Å
112T94.9Very high96.5Very high72 Ų7230.1 Ų30.144%0.44217%0.166SC..THydrogen-bonded Turntrans-109.2-3.4-179.264.40000113.7R57 E106 Y110 L114R57-T112 WeakPolarHBondContact CD-OG1 3.38Å; R57-T112 VanDerWaalsContact CZ-OG1 3.3Å; R57-T112 PolarHBondContact NE-OG1 3.1Å; E106-T112 PolarHBondContact OE2-N 2.85Å; E106-T112 PolarHBondContact OE2-OG1 3.02Å; Y110-T112 PolarHBondContact O-N 2.89Å; T112-L114 PolarHBondContact O-N 3.36Å
113S97.9Very high96.3Very high0 Ų031.7 Ų31.70%017%0.174CC..  trans-85.661.5-174-61.10000111.6R57 E106 R108 Y109 Y110 P115R57-S113 WeakPolarHBondContact CB-OG 3.29Å; R57-S113 PolarHBondContact N-OG 3.35Å; E106-S113 WeakPolarHBondContact CB-OG 3.49Å; E106-S113 WeakPolarHBondContact CG-OG 3.13Å; E106-S113 PolarHBondContact OE2-N 3.19Å; E106-S113 VanDerWaalsContact OE2-N 3.13Å; E106-S113 PolarHBondContact OE2-OG 3.08Å; R108-S113 CarbonylContact C-O 3.6Å; Y109-S113 PolarHBondContact N-O 2.87Å; Y110-S113 PolarHBondContact O-N 2.77Å; S113-P115 WeakPolarHBondContact O-CD 3.24Å
114L97.3Very high96.1Very high34 Ų3439.4 Ų39.418%0.17820%0.203CC..  trans-100.6110.9-169.6-60-174.9000111.8Y109 T112 F116 G117 S120 F121 V339Y109-L114 WeakPolarHBondContact O-CD2 3.41Å; T112-L114 PolarHBondContact O-N 3.36Å; L114-F116 PolarHBondContact O-N 3.14Å; L114-F116 VanDerWaalsContact O-N 3.08Å; L114-G117 PolarHBondContact O-N 2.65Å; L114-G117 VanDerWaalsContact O-N 3.12Å; L114-S120 WeakPolarHBondContact CB-OG 3.32Å; L114-F121 HydrophobicContact CD2-CE2 4.5Å; L114-V339 HydrophobicContact CD1-CG2 4.41Å; L114-V339 HydrophobicContact CD2-CG2 3.89Å
115P97.7Very high95.9Very high11 Ų1148 Ų487%0.07124%0.236CC..THydrogen-bonded Turntrans-57-30.8-174.3-3038.6000115.3V43 F54 Y109 S113V43-P115 HydrophobicContact CG1-CB 4.47Å; V43-P115 HydrophobicContact CG2-CB 4.22Å; F54-P115 HydrophobicContact CD1-CB 4.08Å; F54-P115 HydrophobicContact CD1-CG 4.21Å; F54-P115 HydrophobicContact CD2-CB 4.23Å; F54-P115 HydrophobicContact CD2-CG 3.96Å; F54-P115 HydrophobicContact CE1-CB 4.32Å; F54-P115 HydrophobicContact CE1-CG 4Å; F54-P115 HydrophobicContact CE2-CB 4.47Å; F54-P115 HydrophobicContact CE2-CG 3.75Å; F54-P115 HydrophobicContact CG-CB 4.04Å; F54-P115 HydrophobicContact CG-CG 4.2Å; F54-P115 HydrophobicContact CZ-CG 3.79Å; Y109-P115 HydrophobicContact CD2-CG 3.98Å; Y109-P115 HydrophobicContact CE1-CG 4.19Å; Y109-P115 HydrophobicContact CE2-CG 3.53Å; Y109-P115 HydrophobicContact CG-CG 4.48Å; S113-P115 WeakPolarHBondContact O-CD 3.24Å
116F97.2Very high95.8Very high33 Ų3349.7 Ų49.715%0.14524%0.243CC..THydrogen-bonded Turntrans-12425.1179.8-54-81.4000112.2V43 L114 N118 N119 S120 H126 Y129V43-F116 HydrophobicContact CG1-CE2 3.95Å; V43-F116 HydrophobicContact CG1-CZ 3.61Å; V43-F116 HydrophobicContact CG2-CZ 4.44Å; L114-F116 PolarHBondContact O-N 3.14Å; L114-F116 VanDerWaalsContact O-N 3.08Å; F116-N118 PolarHBondContact O-N 2.87Å; F116-N119 HydrophobicContact CB-CB 4.11Å; F116-N119 WeakPolarHBondContact O-CB 3.38Å; F116-N119 PolarHBondContact O-N 2.95Å; F116-S120 PolarHBondContact N-OG 3.24Å; F116-H126 AromaticContact CD1-CD2 3.92Å; F116-H126 HydrophobicContact CD2-CB 3.83Å; F116-H126 VanDerWaalsContact CD2-O 3.31Å; F116-H126 WeakPolarHBondContact CD2-O 3.38Å; F116-H126 HydrophobicContact CE2-CB 4.21Å; F116-H126 WeakPolarHBondContact CE2-O 3.3Å; F116-H126 HydrophobicContact CG-CB 4.3Å; F116-H126 AromaticContact CG-CD2 3.66Å; F116-Y129 AromaticContact CE2-CD2 3.8Å; F116-Y129 HydrophobicContact CE2-CD2 3.8Å; F116-Y129 AromaticContact CE2-CE2 3.87Å; F116-Y129 HydrophobicContact CE2-CE2 3.87Å; F116-Y129 HydrophobicContact CZ-CD2 4.08Å; F116-Y129 AromaticContact CZ-CE2 3.7Å; F116-Y129 HydrophobicContact CZ-CE2 3.7Å
117G95Very high95.7Very high34 Ų3450.1 Ų50.135%0.35125%0.245SC..G310 helixtrans52.6-130.9-173.700000111.4L114 N119 S120L114-G117 PolarHBondContact O-N 2.65Å; L114-G117 VanDerWaalsContact O-N 3.12Å; G117-N119 PolarHBondContact O-N 2.92Å; G117-N119 VanDerWaalsContact O-N 3.11Å; G117-S120 PolarHBondContact N-OG 3.05Å; G117-S120 WeakPolarHBondContact O-CB 3.47Å; G117-S120 PolarHBondContact O-N 3.01Å; G117-S120 PolarHBondContact O-OG 3.03Å
118N92.4Very high95.5Very high166 Ų16651.9 Ų51.989%0.88826%0.263SS*.G310 helixtrans-61.9-18.4178.5-65.7-6.3000114F116 S120F116-N118 PolarHBondContact O-N 2.87Å; N118-S120 VanDerWaalsContact C-N 3.33Å
119N95Very high95.5Very high80 Ų8053.8 Ų53.843%0.42827%0.271SS..G310 helixtrans-86.4-1177.6-66.8-51.4000113.3F116 G117 F121 K122 H126F116-N119 HydrophobicContact CB-CB 4.11Å; F116-N119 WeakPolarHBondContact O-CB 3.38Å; F116-N119 PolarHBondContact O-N 2.95Å; G117-N119 PolarHBondContact O-N 2.92Å; G117-N119 VanDerWaalsContact O-N 3.11Å; N119-F121 PolarHBondContact O-N 2.92Å; N119-K122 HydrophobicContact CB-CB 4.31Å; N119-K122 HydrophobicContact CB-CD 4.37Å; N119-K122 WeakPolarHBondContact O-CB 3.39Å; N119-K122 PolarHBondContact O-N 2.8Å; N119-H126 WeakPolarHBondContact O-CB 3.42Å
120S95.8Very high95.5Very high0 Ų053.8 Ų53.80%027%0.271CS..THydrogen-bonded Turntrans-56.5-29.8-173.6-60.10000113.4Y109 L114 F116 G117 N118 H126 F127Y109-S120 WeakPolarHBondContact CE1-O 3.4Å; L114-S120 WeakPolarHBondContact CB-OG 3.32Å; F116-S120 PolarHBondContact N-OG 3.24Å; G117-S120 PolarHBondContact N-OG 3.05Å; G117-S120 WeakPolarHBondContact O-CB 3.47Å; G117-S120 PolarHBondContact O-N 3.01Å; G117-S120 PolarHBondContact O-OG 3.03Å; N118-S120 VanDerWaalsContact C-N 3.33Å; S120-H126 CarbonylContact O-C 3.56Å; S120-F127 WeakPolarHBondContact O-CA 3.34Å; S120-F127 VanDerWaalsContact O-CB 3.3Å; S120-F127 WeakPolarHBondContact O-CB 3.4Å; S120-F127 PolarHBondContact O-N 2.77Å
121F93.3Very high95.6Very high50 Ų5055.2 Ų55.222%0.21928%0.279CS..THydrogen-bonded Turntrans-105.212.1179.6-66.8-84.3000114.2Y109 L114 N119 L130 V339 N342 L346Y109-F121 HydrophobicContact CD1-CE1 4.48Å; Y109-F121 HydrophobicContact CD1-CE2 4.26Å; Y109-F121 HydrophobicContact CD1-CZ 4.09Å; Y109-F121 HydrophobicContact CG-CZ 4.5Å; L114-F121 HydrophobicContact CD2-CE2 4.5Å; N119-F121 PolarHBondContact O-N 2.92Å; F121-L130 HydrophobicContact CE1-CD2 4.09Å; F121-L130 HydrophobicContact CZ-CD2 4.45Å; F121-V339 HydrophobicContact CD2-CG2 3.88Å; F121-V339 HydrophobicContact CE2-CG2 3.28Å; F121-V339 HydrophobicContact CZ-CG2 4.12Å; F121-N342 HydrophobicContact CD1-CB 4.15Å; F121-N342 HydrophobicContact CE1-CB 4.27Å; F121-L346 HydrophobicContact CD1-CD2 4.25Å; F121-L346 HydrophobicContact CE1-CD2 4.33Å
122K93.2Very high95.8Very high136 Ų13654.5 Ų54.559%0.59127%0.272SS*.SBendtrans-67.7-50.3-170.5179.3178.8177.9177.50113.9N119N119-K122 HydrophobicContact CB-CB 4.31Å; N119-K122 HydrophobicContact CB-CD 4.37Å; N119-K122 WeakPolarHBondContact O-CB 3.39Å; N119-K122 PolarHBondContact O-N 2.8Å
123D94.1Very high95.9Very high34 Ų3452 Ų5218%0.18226%0.255CS..SBendtrans-157.6173.3-178.967.240.4000110.9R125 H126 F127D123-R125 PolarHBondContact O-N 2.74Å; D123-R125 WeakPolarHBondContact OD1-CA 3.1Å; D123-R125 VanDerWaalsContact OD1-CB 3.26Å; D123-R125 WeakPolarHBondContact OD1-CB 3.43Å; D123-R125 PolarHBondContact OD1-N 3.13Å; D123-R125 IonicContact OD1-NE 3.97Å; D123-R125 PolarHBondContact OD1-NE 2.93Å; D123-R125 IonicContact OD2-CZ 3.25Å; D123-R125 IonicContact OD2-NE 2.68Å; D123-R125 PolarHBondContact OD2-NE 2.64Å; D123-R125 IonicContact OD2-NH2 2.66Å; D123-R125 PolarHBondContact OD2-NH2 3.12Å; D123-H126 WeakPolarHBondContact O-CA 3.49Å; D123-H126 PolarHBondContact O-N 2.97Å; D123-H126 IonicContact OD1-CE1 3.13Å; D123-H126 IonicContact OD1-CG 2.7Å; D123-H126 PolarHBondContact OD1-N 3.13Å; D123-H126 IonicContact OD1-ND1 2.78Å; D123-H126 PolarHBondContact OD1-ND1 2.92Å; D123-H126 IonicContact OD2-CE1 3.07Å; D123-H126 IonicContact OD2-ND1 2.67Å; D123-F127 WeakPolarHBondContact O-CD1 3.34Å; D123-F127 WeakPolarHBondContact O-CG 3.38Å; D123-F127 PolarHBondContact O-N 2.9Å
124R93.8Very high96Very high162 Ų16252.4 Ų52.461%0.61126%0.257SS*.Hα-helixtrans-55.6-25.3-177-67.9-178.1-63.3-175.16.2114.7H126 F127 G128 G384 V385R124-H126 VanDerWaalsContact C-N 3.27Å; R124-F127 HydrophobicContact CB-CE2 4.06Å; R124-F127 HydrophobicContact CB-CZ 4Å; R124-F127 HydrophobicContact CG-CE1 4.22Å; R124-F127 HydrophobicContact CG-CE2 3.58Å; R124-F127 HydrophobicContact CG-CZ 3.29Å; R124-G128 WeakPolarHBondContact O-CA 3.3Å; R124-G128 PolarHBondContact O-N 2.83Å; R124-G128 VanDerWaalsContact O-N 3.14Å; R124-G384 WeakPolarHBondContact CD-O 3.3Å; R124-G384 PolarHBondContact NH1-O 3.01Å; R124-V385 HydrophobicContact CG-CG1 4.15Å
125R94.8Very high96Very high182 Ų18250.8 Ų50.869%0.68725%0.249SC*.Hα-helixtrans-76.3-19.6177.2-58.7170.9-69.9-171.3-2.9112D123 Y129D123-R125 PolarHBondContact O-N 2.74Å; D123-R125 WeakPolarHBondContact OD1-CA 3.1Å; D123-R125 VanDerWaalsContact OD1-CB 3.26Å; D123-R125 WeakPolarHBondContact OD1-CB 3.43Å; D123-R125 PolarHBondContact OD1-N 3.13Å; D123-R125 IonicContact OD1-NE 3.97Å; D123-R125 PolarHBondContact OD1-NE 2.93Å; D123-R125 IonicContact OD2-CZ 3.25Å; D123-R125 IonicContact OD2-NE 2.68Å; D123-R125 PolarHBondContact OD2-NE 2.64Å; D123-R125 IonicContact OD2-NH2 2.66Å; D123-R125 PolarHBondContact OD2-NH2 3.12Å; R125-Y129 VanDerWaalsContact O-CE2 3.28Å; R125-Y129 WeakPolarHBondContact O-CE2 3.31Å
126H96.6Very high96.1Very high34 Ų3450.4 Ų50.416%0.15725%0.246CC..Hα-helixtrans-100.2-41.9178.6-60.776.5000111.6Y109 F116 N119 S120 D123 R124Y109-H126 WeakPolarHBondContact CE1-O 3.36Å; Y109-H126 PolarHBondContact OH-O 2.81Å; F116-H126 AromaticContact CD1-CD2 3.92Å; F116-H126 HydrophobicContact CD2-CB 3.83Å; F116-H126 VanDerWaalsContact CD2-O 3.31Å; F116-H126 WeakPolarHBondContact CD2-O 3.38Å; F116-H126 HydrophobicContact CE2-CB 4.21Å; F116-H126 WeakPolarHBondContact CE2-O 3.3Å; F116-H126 HydrophobicContact CG-CB 4.3Å; F116-H126 AromaticContact CG-CD2 3.66Å; N119-H126 WeakPolarHBondContact O-CB 3.42Å; S120-H126 CarbonylContact O-C 3.56Å; D123-H126 WeakPolarHBondContact O-CA 3.49Å; D123-H126 PolarHBondContact O-N 2.97Å; D123-H126 IonicContact OD1-CE1 3.13Å; D123-H126 IonicContact OD1-CG 2.7Å; D123-H126 PolarHBondContact OD1-N 3.13Å; D123-H126 IonicContact OD1-ND1 2.78Å; D123-H126 PolarHBondContact OD1-ND1 2.92Å; D123-H126 IonicContact OD2-CE1 3.07Å; D123-H126 IonicContact OD2-ND1 2.67Å; R124-H126 VanDerWaalsContact C-N 3.27Å
127F95.9Very high96.1Very high9 Ų949.3 Ų49.34%0.03924%0.243CC..Hα-helixtrans-92.7-8.3-175.966.8-122.7000114.2Y109 S120 D123 R124 Y129 L130 L346 F383 V385Y109-F127 HydrophobicContact CE1-CB 4.46Å; S120-F127 WeakPolarHBondContact O-CA 3.34Å; S120-F127 VanDerWaalsContact O-CB 3.3Å; S120-F127 WeakPolarHBondContact O-CB 3.4Å; S120-F127 PolarHBondContact O-N 2.77Å; D123-F127 WeakPolarHBondContact O-CD1 3.34Å; D123-F127 WeakPolarHBondContact O-CG 3.38Å; D123-F127 PolarHBondContact O-N 2.9Å; R124-F127 HydrophobicContact CB-CE2 4.06Å; R124-F127 HydrophobicContact CB-CZ 4Å; R124-F127 HydrophobicContact CG-CE1 4.22Å; R124-F127 HydrophobicContact CG-CE2 3.58Å; R124-F127 HydrophobicContact CG-CZ 3.29Å; F127-Y129 PolarHBondContact O-N 3.24Å; F127-L130 WeakPolarHBondContact O-CB 3.14Å; F127-L130 PolarHBondContact O-N 3.04Å; F127-L346 HydrophobicContact CB-CD2 3.39Å; F127-L346 HydrophobicContact CD1-CD2 4.12Å; F127-L346 HydrophobicContact CD2-CD1 3.88Å; F127-L346 HydrophobicContact CD2-CD2 3.46Å; F127-L346 VanDerWaalsContact CD2-CD2 3.46Å; F127-L346 HydrophobicContact CD2-CG 4.24Å; F127-L346 HydrophobicContact CE2-CD1 3.8Å; F127-L346 HydrophobicContact CE2-CD2 4.22Å; F127-L346 HydrophobicContact CG-CD1 4.43Å; F127-L346 HydrophobicContact CG-CD2 3.4Å; F127-L346 VanDerWaalsContact CG-CD2 3.4Å; F127-L346 HydrophobicContact CZ-CD1 4.27Å; F127-F383 HydrophobicContact CZ-CB 4.39Å; F127-F383 WeakPolarHBondContact CZ-O 3.34Å; F127-V385 HydrophobicContact CE2-CG1 3.83Å; F127-V385 HydrophobicContact CZ-CG1 4.19Å
128G95.8Very high96.3Very high37 Ų3747.8 Ų47.838%0.38123%0.227SC..THydrogen-bonded Turntrans-64.6-9.4-176.500000115.3R124R124-G128 WeakPolarHBondContact O-CA 3.3Å; R124-G128 PolarHBondContact O-N 2.83Å; R124-G128 VanDerWaalsContact O-N 3.14Å
129Y97.6Very high96.6Very high40 Ų4039.9 Ų39.916%0.15719%0.185CC..THydrogen-bonded Turntrans-97.15.3176.3-43.5-83000113.4V43 D44 N50 R108 Y109 F116 R125 F127 T131V43-Y129 HydrophobicContact CG1-CD1 4.12Å; V43-Y129 HydrophobicContact CG1-CD2 3.44Å; V43-Y129 VanDerWaalsContact CG1-CD2 3.44Å; V43-Y129 HydrophobicContact CG1-CE1 4.24Å; V43-Y129 HydrophobicContact CG1-CE2 3.56Å; V43-Y129 HydrophobicContact CG1-CG 3.72Å; D44-Y129 HydrophobicContact CB-CD1 3.92Å; D44-Y129 HydrophobicContact CB-CE1 3.66Å; D44-Y129 WeakPolarHBondContact OD2-CE1 3.34Å; N50-Y129 PolarHBondContact ND2-OH 2.87Å; R108-Y129 WeakPolarHBondContact CD-O 3.46Å; R108-Y129 PolarHBondContact NH1-O 2.82Å; Y109-Y129 WeakPolarHBondContact OH-CB 3.37Å; F116-Y129 AromaticContact CE2-CD2 3.8Å; F116-Y129 HydrophobicContact CE2-CD2 3.8Å; F116-Y129 AromaticContact CE2-CE2 3.87Å; F116-Y129 HydrophobicContact CE2-CE2 3.87Å; F116-Y129 HydrophobicContact CZ-CD2 4.08Å; F116-Y129 AromaticContact CZ-CE2 3.7Å; F116-Y129 HydrophobicContact CZ-CE2 3.7Å; R125-Y129 VanDerWaalsContact O-CE2 3.28Å; R125-Y129 WeakPolarHBondContact O-CE2 3.31Å; F127-Y129 PolarHBondContact O-N 3.24Å; Y129-T131 VanDerWaalsContact C-N 3.3Å; Y129-T131 PolarHBondContact O-N 3.04Å; Y129-T131 VanDerWaalsContact O-N 3.12Å
130L97.7Very high96.8Very high0 Ų036.7 Ų36.70%017%0.168CC..  trans-81.277.7171.7178.746.9000109.3Y109 Y110 F121 F127 G343 L346 Q347 M350Y109-L130 HydrophobicContact CD1-CB 4.26Å; Y109-L130 HydrophobicContact CD1-CD2 4.42Å; Y109-L130 HydrophobicContact CD2-CB 3.6Å; Y109-L130 HydrophobicContact CD2-CD1 3.78Å; Y109-L130 HydrophobicContact CD2-CG 4.12Å; Y109-L130 HydrophobicContact CE1-CB 4.4Å; Y109-L130 HydrophobicContact CE2-CB 3.74Å; Y109-L130 HydrophobicContact CG-CB 3.88Å; Y109-L130 HydrophobicContact CG-CD1 4.01Å; Y109-L130 HydrophobicContact CG-CD2 4.06Å; Y109-L130 HydrophobicContact CG-CG 4.16Å; Y110-L130 HydrophobicContact CE2-CD1 4.12Å; F121-L130 HydrophobicContact CE1-CD2 4.09Å; F121-L130 HydrophobicContact CZ-CD2 4.45Å; F127-L130 WeakPolarHBondContact O-CB 3.14Å; F127-L130 PolarHBondContact O-N 3.04Å; L130-G343 WeakPolarHBondContact CD2-O 3.42Å; L130-L346 HydrophobicContact CD2-CD2 4.15Å; L130-Q347 HydrophobicContact CD1-CG 3.79Å; L130-Q347 HydrophobicContact CD2-CG 3.84Å; L130-Q347 HydrophobicContact CG-CG 3.49Å; L130-Q347 VanDerWaalsContact CG-CG 3.49Å; L130-M350 HydrophobicContact CB-CE 4.29Å; L130-M350 WeakPolarHBondContact O-CE 3.43Å
131T97.6Very high96.9Very high30 Ų3039.8 Ų39.818%0.18418%0.184CC..SBendtrans-133.9154.7175.582.80000110.8Y129 E133 Q134 T135 E351Y129-T131 VanDerWaalsContact C-N 3.3Å; Y129-T131 PolarHBondContact O-N 3.04Å; Y129-T131 VanDerWaalsContact O-N 3.12Å; T131-E133 VanDerWaalsContact C-N 3.31Å; T131-E133 WeakPolarHBondContact CB-OE2 3.25Å; T131-E133 PolarHBondContact O-N 3.13Å; T131-E133 PolarHBondContact OG1-OE2 3.37Å; T131-Q134 PolarHBondContact O-N 2.97Å; T131-Q134 WeakPolarHBondContact OG1-CG 3.44Å; T131-Q134 PolarHBondContact OG1-N 2.75Å; T131-T135 PolarHBondContact O-N 2.95Å; T131-T135 PolarHBondContact O-OG1 2.91Å; T131-E351 WeakPolarHBondContact CA-OE1 3.15Å
132A97.8Very high97.2Very high0 Ų037.5 Ų37.50%017%0.174CC..Hα-helixtrans-62.5-38.1-179.700000111.4Q134 T135 L136 L169 W172 E351 M352 F396A132-Q134 VanDerWaalsContact C-N 3.33Å; A132-Q134 PolarHBondContact O-N 3.22Å; A132-T135 CarbonylContact O-C 3.53Å; A132-T135 WeakPolarHBondContact O-CB 3.48Å; A132-T135 PolarHBondContact O-N 3.4Å; A132-L136 VanDerWaalsContact O-CG 3.25Å; A132-L136 WeakPolarHBondContact O-CG 3.44Å; A132-L136 PolarHBondContact O-N 2.89Å; A132-L169 HydrophobicContact CB-CD2 4.1Å; A132-W172 HydrophobicContact CB-CE3 4.31Å; A132-W172 HydrophobicContact CB-CZ3 3.97Å; A132-E351 PolarHBondContact N-OE1 3.45Å; A132-E351 PolarHBondContact N-OE2 3.38Å; A132-M352 HydrophobicContact CB-CE 3.77Å; A132-F396 HydrophobicContact CB-CE1 4.2Å; A132-F396 HydrophobicContact CB-CZ 3.76Å
133E98.2Very high97.5Very high20 Ų2031 Ų319%0.09315%0.146CC..Hα-helixtrans-63-40.5179.7-49.687.1161.300111.9F46 T131 T135 L136 A137 W391 E395F46-E133 HydrophobicContact CE2-CB 3.71Å; F46-E133 HydrophobicContact CZ-CB 3.69Å; T131-E133 VanDerWaalsContact C-N 3.31Å; T131-E133 WeakPolarHBondContact CB-OE2 3.25Å; T131-E133 PolarHBondContact O-N 3.13Å; T131-E133 PolarHBondContact OG1-OE2 3.37Å; E133-T135 VanDerWaalsContact C-N 3.32Å; E133-L136 PolarHBondContact O-N 3.49Å; E133-A137 PolarHBondContact O-N 3.48Å; E133-W391 PolarHBondContact OE1-NE1 2.59Å; E133-E395 HydrophobicContact CG-CG 3.85Å; E133-E395 WeakPolarHBondContact CG-OE1 3.47Å; E133-E395 WeakPolarHBondContact OE1-CG 3.38Å
134Q98.6Very high97.6Very high9 Ų932.1 Ų32.14%0.04215%0.152CC..Hα-helixtrans-63.3-42.9176.8-71.1-79.712.400110.5D44 H45 F46 R108 T131 A132 A137 D138D44-Q134 PolarHBondContact OD1-NE2 3.38Å; H45-Q134 PolarHBondContact CD2-O 3.38Å; H45-Q134 PolarHBondContact CD2-OE1 3.36Å; F46-Q134 HydrophobicContact CD2-CG 4.03Å; F46-Q134 HydrophobicContact CE2-CB 4.37Å; F46-Q134 HydrophobicContact CE2-CG 3.87Å; R108-Q134 VanDerWaalsContact CZ-CB 3.46Å; T131-Q134 PolarHBondContact O-N 2.97Å; T131-Q134 WeakPolarHBondContact OG1-CG 3.44Å; T131-Q134 PolarHBondContact OG1-N 2.75Å; A132-Q134 VanDerWaalsContact C-N 3.33Å; A132-Q134 PolarHBondContact O-N 3.22Å; Q134-A137 PolarHBondContact O-N 2.96Å; Q134-D138 PolarHBondContact O-N 3.36Å
135T98.7Very high97.8Very high0 Ų027.4 Ų27.40%014%0.137CC..Hα-helixtrans-62.4-45174-57.40000112.3H107 R108 T131 A132 E133 A137 D138 Y139 L169H107-T135 WeakPolarHBondContact CD2-CG2 3.45Å; H107-T135 PolarHBondContact CE1-OG1 2.78Å; H107-T135 PolarHBondContact ND1-OG1 2.9Å; H107-T135 WeakPolarHBondContact NE2-CG2 3.07Å; H107-T135 PolarHBondContact NE2-OG1 3.18Å; R108-T135 WeakPolarHBondContact CG-OG1 3.46Å; T131-T135 PolarHBondContact O-N 2.95Å; T131-T135 PolarHBondContact O-OG1 2.91Å; A132-T135 CarbonylContact O-C 3.53Å; A132-T135 WeakPolarHBondContact O-CB 3.48Å; A132-T135 PolarHBondContact O-N 3.4Å; E133-T135 VanDerWaalsContact C-N 3.32Å; T135-A137 VanDerWaalsContact C-N 3.27Å; T135-A137 PolarHBondContact O-N 3.49Å; T135-D138 WeakPolarHBondContact O-CB 3.45Å; T135-D138 PolarHBondContact O-N 2.63Å; T135-D138 VanDerWaalsContact O-N 3.16Å; T135-Y139 HydrophobicContact CG2-CD2 4.05Å; T135-Y139 HydrophobicContact CG2-CE1 3.94Å; T135-Y139 HydrophobicContact CG2-CE2 3.35Å; T135-Y139 VanDerWaalsContact CG2-OH 3.3Å; T135-Y139 WeakPolarHBondContact CG2-OH 3.36Å; T135-Y139 PolarHBondContact O-N 3.33Å; T135-L169 HydrophobicContact CG2-CD1 4.41Å; T135-L169 HydrophobicContact CG2-CD2 4.42Å
136L98.8Very high97.9Very high2 Ų218.8 Ų18.81%0.0110%0.104CC..Hα-helixtrans-60.5-40.1178.2-67.1-176.9000111A132 E133 Y139 V140 L169 W172 I173 K176 Y177A132-L136 VanDerWaalsContact O-CG 3.25Å; A132-L136 WeakPolarHBondContact O-CG 3.44Å; A132-L136 PolarHBondContact O-N 2.89Å; E133-L136 PolarHBondContact O-N 3.49Å; L136-Y139 PolarHBondContact O-N 2.96Å; L136-V140 WeakPolarHBondContact O-CG2 3.28Å; L136-V140 PolarHBondContact O-N 3.2Å; L136-V140 VanDerWaalsContact O-N 3.13Å; L136-L169 HydrophobicContact CD2-CB 4.37Å; L136-L169 HydrophobicContact CD2-CD2 3.9Å; L136-L169 HydrophobicContact CG-CD2 4.39Å; L136-W172 HydrophobicContact CD1-CB 3.84Å; L136-W172 HydrophobicContact CD2-CB 4.46Å; L136-I173 HydrophobicContact CD2-CB 3.75Å; L136-I173 HydrophobicContact CD2-CG1 4.19Å; L136-K176 HydrophobicContact CD1-CG 4.44Å; L136-Y177 HydrophobicContact CB-CE2 4.03Å
137A98.7Very high97.9Very high10 Ų1018.4 Ų18.48%0.08310%0.102CC..Hα-helixtrans-64.5-41.7174.800000112.2H45 F46 E133 Q134 T135 Y139 V140 L141H45-A137 HydrophobicContact CB-CB 4Å; H45-A137 VanDerWaalsContact CD2-CB 3.5Å; H45-A137 WeakPolarHBondContact CD2-CB 3.38Å; F46-A137 HydrophobicContact CZ-CB 4.27Å; E133-A137 PolarHBondContact O-N 3.48Å; Q134-A137 PolarHBondContact O-N 2.96Å; T135-A137 VanDerWaalsContact C-N 3.27Å; T135-A137 PolarHBondContact O-N 3.49Å; A137-Y139 VanDerWaalsContact C-N 3.34Å; A137-Y139 PolarHBondContact O-N 3.12Å; A137-V140 PolarHBondContact O-N 3.19Å; A137-L141 WeakPolarHBondContact O-CB 3.34Å; A137-L141 VanDerWaalsContact O-CG 3.29Å; A137-L141 WeakPolarHBondContact O-CG 3.29Å; A137-L141 PolarHBondContact O-N 3.37Å
138D98.9Very high97.9Very high2 Ų221.8 Ų21.81%0.01113%0.132CC..Hα-helixtrans-56.6-46.9173.6-71.7-37.8000112.4T41 H45 I56 R108 Q134 T135 L141 L142T41-D138 WeakPolarHBondContact CB-OD1 3.33Å; T41-D138 WeakPolarHBondContact CG2-OD1 3.34Å; T41-D138 PolarHBondContact OG1-OD1 3.47Å; H45-D138 IonicContact CD2-OD1 3.11Å; H45-D138 IonicContact CE1-OD1 3.89Å; H45-D138 IonicContact NE2-OD1 3.12Å; H45-D138 PolarHBondContact NE2-OD1 3.01Å; I56-D138 HydrophobicContact CD1-CB 3.46Å; I56-D138 VanDerWaalsContact CD1-CB 3.46Å; I56-D138 VanDerWaalsContact CD1-OD2 3.3Å; I56-D138 WeakPolarHBondContact CD1-OD2 3.43Å; R108-D138 IonicContact CZ-OD2 2.64Å; R108-D138 IonicContact NE-OD2 3.5Å; R108-D138 PolarHBondContact NE-OD2 3.05Å; R108-D138 IonicContact NH2-OD1 2.77Å; R108-D138 PolarHBondContact NH2-OD1 2.9Å; R108-D138 IonicContact NH2-OD2 3.01Å; R108-D138 PolarHBondContact NH2-OD2 3.14Å; Q134-D138 PolarHBondContact O-N 3.36Å; T135-D138 WeakPolarHBondContact O-CB 3.45Å; T135-D138 PolarHBondContact O-N 2.63Å; T135-D138 VanDerWaalsContact O-N 3.16Å; D138-L141 PolarHBondContact O-N 3.4Å; D138-L142 WeakPolarHBondContact O-CB 3.35Å; D138-L142 PolarHBondContact O-N 3Å
139Y98.9Very high97.8Very high1 Ų124.9 Ų24.90%0.00414%0.139CC..Hα-helixtrans-63-44.4-179.1-65.1-19.8000112.1F73 T75 G76 A105 H107 T135 L136 A137 L141 L142 I143 L169 I173F73-Y139 HydrophobicContact CE1-CD1 4.09Å; F73-Y139 HydrophobicContact CE1-CD2 4.25Å; F73-Y139 AromaticContact CE1-CG 3.78Å; F73-Y139 HydrophobicContact CE1-CG 3.78Å; F73-Y139 AromaticContact CZ-CD1 3.99Å; F73-Y139 HydrophobicContact CZ-CD1 3.99Å; F73-Y139 AromaticContact CZ-CG 3.99Å; F73-Y139 HydrophobicContact CZ-CG 3.99Å; T75-Y139 HydrophobicContact CG2-CD2 3.76Å; T75-Y139 HydrophobicContact CG2-CE2 3.95Å; G76-Y139 PolarHBondContact N-OH 3.32Å; G76-Y139 PolarHBondContact O-OH 2.8Å; A105-Y139 HydrophobicContact CB-CD1 3.72Å; A105-Y139 HydrophobicContact CB-CE1 3.68Å; H107-Y139 WeakPolarHBondContact CA-OH 3.16Å; T135-Y139 HydrophobicContact CG2-CD2 4.05Å; T135-Y139 HydrophobicContact CG2-CE1 3.94Å; T135-Y139 HydrophobicContact CG2-CE2 3.35Å; T135-Y139 VanDerWaalsContact CG2-OH 3.3Å; T135-Y139 WeakPolarHBondContact CG2-OH 3.36Å; T135-Y139 PolarHBondContact O-N 3.33Å; L136-Y139 PolarHBondContact O-N 2.96Å; A137-Y139 VanDerWaalsContact C-N 3.34Å; A137-Y139 PolarHBondContact O-N 3.12Å; Y139-L141 VanDerWaalsContact C-N 3.34Å; Y139-L141 PolarHBondContact O-N 3.07Å; Y139-L142 PolarHBondContact O-N 3.4Å; Y139-I143 WeakPolarHBondContact O-CD1 3.49Å; Y139-I143 VanDerWaalsContact O-CG1 3.24Å; Y139-I143 WeakPolarHBondContact O-CG1 3.11Å; Y139-I143 PolarHBondContact O-N 2.89Å; Y139-L169 HydrophobicContact CE2-CD1 4.27Å; Y139-I173 HydrophobicContact CD2-CD1 4.36Å
140V98.7Very high97.5Very high12 Ų1226 Ų267%0.07314%0.144CC..Hα-helixtrans-64.8-39177174.30000111.6L136 A137 I143 N144 I173 Y177 Q180L136-V140 WeakPolarHBondContact O-CG2 3.28Å; L136-V140 PolarHBondContact O-N 3.2Å; L136-V140 VanDerWaalsContact O-N 3.13Å; A137-V140 PolarHBondContact O-N 3.19Å; V140-I143 PolarHBondContact O-N 3.04Å; V140-N144 VanDerWaalsContact O-CG 3.24Å; V140-N144 PolarHBondContact O-N 3.14Å; V140-N144 PolarHBondContact O-ND2 2.93Å; V140-I173 HydrophobicContact CG2-CD1 4.02Å; V140-I173 HydrophobicContact CG2-CG1 4.06Å; V140-Y177 HydrophobicContact CG1-CD1 4.34Å; V140-Y177 HydrophobicContact CG2-CD1 3.92Å; V140-Y177 HydrophobicContact CG2-CD2 3.56Å; V140-Y177 HydrophobicContact CG2-CE1 4.28Å; V140-Y177 HydrophobicContact CG2-CE2 3.96Å; V140-Y177 HydrophobicContact CG2-CG 3.53Å; V140-Q180 HydrophobicContact CG1-CG 4.16Å
141L98.5Very high97.1Very high66 Ų6631.1 Ų31.135%0.34618%0.18SC..Hα-helixtrans-67.4-40.6176.8-72.3171000112.2F39 H45 A137 D138 Y139 N144 Q145F39-L141 HydrophobicContact CE1-CB 3.98Å; F39-L141 HydrophobicContact CZ-CB 3.78Å; H45-L141 WeakPolarHBondContact CE1-CD1 3.41Å; A137-L141 WeakPolarHBondContact O-CB 3.34Å; A137-L141 VanDerWaalsContact O-CG 3.29Å; A137-L141 WeakPolarHBondContact O-CG 3.29Å; A137-L141 PolarHBondContact O-N 3.37Å; D138-L141 PolarHBondContact O-N 3.4Å; Y139-L141 VanDerWaalsContact C-N 3.34Å; Y139-L141 PolarHBondContact O-N 3.07Å; L141-N144 PolarHBondContact O-N 3.31Å; L141-Q145 PolarHBondContact O-N 3.42Å
142L98.7Very high96.8Very high1 Ų132 Ų321%0.00519%0.187CC..Hα-helixtrans-60.5-47.3172.8173.759.3000111F39 Y58 F73 V103 A105 D138 Y139 N144 Q145 L146F39-L142 HydrophobicContact CB-CD1 3.76Å; F39-L142 HydrophobicContact CD1-CB 3.94Å; F39-L142 HydrophobicContact CD1-CD1 4.25Å; F39-L142 HydrophobicContact CE1-CB 4.22Å; F39-L142 HydrophobicContact CG-CB 4.44Å; F39-L142 HydrophobicContact CG-CD1 3.94Å; Y58-L142 HydrophobicContact CD1-CD1 3.87Å; Y58-L142 HydrophobicContact CD1-CD2 4.29Å; Y58-L142 HydrophobicContact CE1-CD1 3.89Å; Y58-L142 HydrophobicContact CG-CD1 4.22Å; Y58-L142 HydrophobicContact CG-CD2 4.05Å; F73-L142 HydrophobicContact CE2-CD2 3.97Å; F73-L142 HydrophobicContact CE2-CG 4.31Å; F73-L142 HydrophobicContact CZ-CD2 4.16Å; V103-L142 HydrophobicContact CG1-CD2 4.48Å; A105-L142 HydrophobicContact CB-CD2 3.62Å; D138-L142 WeakPolarHBondContact O-CB 3.35Å; D138-L142 PolarHBondContact O-N 3Å; Y139-L142 PolarHBondContact O-N 3.4Å; L142-N144 VanDerWaalsContact C-N 3.3Å; L142-N144 PolarHBondContact O-N 2.66Å; L142-Q145 PolarHBondContact O-N 3.23Å; L142-L146 HydrophobicContact CD1-CD1 4.12Å; L142-L146 HydrophobicContact CD1-CG 4.04Å; L142-L146 HydrophobicContact CG-CD1 4.11Å; L142-L146 HydrophobicContact CG-CG 4.46Å; L142-L146 VanDerWaalsContact O-CG 3.3Å; L142-L146 WeakPolarHBondContact O-CG 3.45Å; L142-L146 PolarHBondContact O-N 3.02Å
143I98.5Very high96.6Very high0 Ų032 Ų320%019%0.187CC..Hα-helixtrans-55.5-46.6175.7-72.1161.3000110.6F73 Y139 V140 L146 K147 V158 I181F73-I143 HydrophobicContact CD1-CD1 4.42Å; F73-I143 HydrophobicContact CD2-CD1 4.08Å; F73-I143 HydrophobicContact CD2-CG1 3.68Å; F73-I143 HydrophobicContact CE1-CD1 4.47Å; F73-I143 HydrophobicContact CE2-CD1 4.12Å; F73-I143 HydrophobicContact CE2-CG1 3.62Å; F73-I143 HydrophobicContact CG-CD1 4.22Å; F73-I143 HydrophobicContact CG-CG1 4.32Å; F73-I143 HydrophobicContact CZ-CD1 4.32Å; F73-I143 HydrophobicContact CZ-CG1 4.21Å; Y139-I143 WeakPolarHBondContact O-CD1 3.49Å; Y139-I143 VanDerWaalsContact O-CG1 3.24Å; Y139-I143 WeakPolarHBondContact O-CG1 3.11Å; Y139-I143 PolarHBondContact O-N 2.89Å; V140-I143 PolarHBondContact O-N 3.04Å; I143-L146 PolarHBondContact O-N 2.59Å; I143-K147 HydrophobicContact CG2-CD 4.29Å; I143-K147 WeakPolarHBondContact O-CG 3.3Å; I143-K147 PolarHBondContact O-N 2.9Å; I143-V158 HydrophobicContact CD1-CG1 3.95Å; I143-V158 HydrophobicContact CG1-CG1 4.39Å; I143-V158 HydrophobicContact CG2-CG2 3.81Å; I143-I181 HydrophobicContact CD1-CD1 3.6Å
144N97.7Very high96.3Very high58 Ų5833.7 Ų33.731%0.3120%0.204SC..Hα-helixtrans-64-42.6178.7-71.2-26.1000112.1V140 L141 L142 L146 K147 A148 Q180V140-N144 VanDerWaalsContact O-CG 3.24Å; V140-N144 PolarHBondContact O-N 3.14Å; V140-N144 PolarHBondContact O-ND2 2.93Å; L141-N144 PolarHBondContact O-N 3.31Å; L142-N144 VanDerWaalsContact C-N 3.3Å; L142-N144 PolarHBondContact O-N 2.66Å; N144-L146 VanDerWaalsContact C-N 3.35Å; N144-L146 PolarHBondContact O-N 2.66Å; N144-K147 PolarHBondContact O-N 3.27Å; N144-A148 WeakPolarHBondContact O-CB 3.25Å; N144-A148 PolarHBondContact O-N 3.18Å; N144-Q180 PolarHBondContact OD1-NE2 3.41Å
145Q97.4Very high95.9Very high62 Ų6235 Ų3529%0.2921%0.214SC..Hα-helixtrans-61.8-43.5175.3173.9166.3-51.900111.4F39 L141 L142 K147 A148 N149F39-Q145 HydrophobicContact CD2-CB 4.19Å; F39-Q145 HydrophobicContact CD2-CG 4.27Å; F39-Q145 HydrophobicContact CE2-CB 3.95Å; F39-Q145 HydrophobicContact CE2-CG 4.36Å; L141-Q145 PolarHBondContact O-N 3.42Å; L142-Q145 PolarHBondContact O-N 3.23Å; Q145-K147 VanDerWaalsContact C-N 3.34Å; Q145-K147 PolarHBondContact O-N 2.85Å; Q145-A148 PolarHBondContact O-N 3.14Å; Q145-N149 WeakPolarHBondContact CG-ND2 3.44Å; Q145-N149 WeakPolarHBondContact O-CB 3.4Å; Q145-N149 VanDerWaalsContact O-CG 3.24Å; Q145-N149 PolarHBondContact O-N 3.3Å
146L97.3Very high95.7Very high1 Ų135 Ų351%0.00521%0.214CC..Hα-helixtrans-61.1-44.1177.2-69.8172.7000111.1Y58 I60 V103 L142 I143 N144 A148 N149 Y150 F153Y58-L146 HydrophobicContact CE2-CD2 4.03Å; I60-L146 HydrophobicContact CD1-CD2 4.12Å; V103-L146 HydrophobicContact CG1-CD1 4.07Å; V103-L146 HydrophobicContact CG2-CD1 3.86Å; L142-L146 HydrophobicContact CD1-CD1 4.12Å; L142-L146 HydrophobicContact CD1-CG 4.04Å; L142-L146 HydrophobicContact CG-CD1 4.11Å; L142-L146 HydrophobicContact CG-CG 4.46Å; L142-L146 VanDerWaalsContact O-CG 3.3Å; L142-L146 WeakPolarHBondContact O-CG 3.45Å; L142-L146 PolarHBondContact O-N 3.02Å; I143-L146 PolarHBondContact O-N 2.59Å; N144-L146 VanDerWaalsContact C-N 3.35Å; N144-L146 PolarHBondContact O-N 2.66Å; L146-A148 VanDerWaalsContact C-N 3.28Å; L146-A148 PolarHBondContact O-N 3.37Å; L146-N149 PolarHBondContact O-N 3.34Å; L146-Y150 HydrophobicContact CD2-CD2 4.17Å; L146-Y150 HydrophobicContact CD2-CE2 3.79Å; L146-Y150 WeakPolarHBondContact O-CD2 3.22Å; L146-Y150 PolarHBondContact O-N 3.23Å; L146-F153 HydrophobicContact CB-CD2 4.13Å; L146-F153 HydrophobicContact CB-CE2 4.48Å
147K95.9Very high95.6Very high27 Ų2734.9 Ų34.912%0.11721%0.214CC..Hα-helixtrans-64.4-29.9176.3-71.4-174.4170.8-175.20113.7I71 I143 N144 Q145 F153 S156I71-K147 HydrophobicContact CD1-CG 4.49Å; I143-K147 HydrophobicContact CG2-CD 4.29Å; I143-K147 WeakPolarHBondContact O-CG 3.3Å; I143-K147 PolarHBondContact O-N 2.9Å; N144-K147 PolarHBondContact O-N 3.27Å; Q145-K147 VanDerWaalsContact C-N 3.34Å; Q145-K147 PolarHBondContact O-N 2.85Å; K147-F153 HydrophobicContact CG-CB 4.2Å; K147-F153 WeakPolarHBondContact CG-O 3.45Å; K147-S156 VanDerWaalsContact CE-O 3.28Å; K147-S156 WeakPolarHBondContact CE-O 3.43Å; K147-S156 PolarHBondContact NZ-O 3.1Å
148A95.6Very high95.6Very high79 Ų7934.4 Ų34.465%0.65321%0.21SC*.Hα-helixtrans-78.2-42.5175.300000112.3N144 Q145 L146N144-A148 WeakPolarHBondContact O-CB 3.25Å; N144-A148 PolarHBondContact O-N 3.18Å; Q145-A148 PolarHBondContact O-N 3.14Å; L146-A148 VanDerWaalsContact C-N 3.28Å; L146-A148 PolarHBondContact O-N 3.37Å
149N94.1Very high95.6Very high102 Ų10234.3 Ų34.355%0.54521%0.209SC..Hα-helixtrans-76.4-33.2-175.4-70.7-2.6000112.8Q145 L146Q145-N149 WeakPolarHBondContact CG-ND2 3.44Å; Q145-N149 WeakPolarHBondContact O-CB 3.4Å; Q145-N149 VanDerWaalsContact O-CG 3.24Å; Q145-N149 PolarHBondContact O-N 3.3Å; L146-N149 PolarHBondContact O-N 3.34Å
150Y92.1Very high95.6Very high63 Ų6334.3 Ų34.325%0.24721%0.209CC..  trans-109.8100.7176.8-59-82.4000108.7K37 I60 L146 C152 F153K37-Y150 PolarHBondContact NZ-OH 3.02Å; K37-Y150 VanDerWaalsContact NZ-OH 3.13Å; I60-Y150 HydrophobicContact CD1-CE2 4.41Å; L146-Y150 HydrophobicContact CD2-CD2 4.17Å; L146-Y150 HydrophobicContact CD2-CE2 3.79Å; L146-Y150 WeakPolarHBondContact O-CD2 3.22Å; L146-Y150 PolarHBondContact O-N 3.23Å; Y150-C152 PolarHBondContact O-N 3.47Å; Y150-F153 AromaticContact CD2-CD2 3.9Å; Y150-F153 HydrophobicContact CD2-CD2 3.9Å; Y150-F153 AromaticContact CD2-CE2 3.8Å; Y150-F153 HydrophobicContact CD2-CE2 3.8Å; Y150-F153 HydrophobicContact CG-CD2 4.07Å; Y150-F153 HydrophobicContact CG-CE2 4.04Å; Y150-F153 WeakPolarHBondContact O-CB 3.37Å; Y150-F153 PolarHBondContact O-N 2.77Å
151S89.3Confident95.7Very high109 Ų10933.7 Ų33.776%0.76221%0.206SC*.G310 helixtrans-55.6-29.1-178.859.10000113.2F153 A154S151-F153 PolarHBondContact O-N 3.25Å; S151-A154 WeakPolarHBondContact O-CB 3.43Å; S151-A154 PolarHBondContact O-N 3.05Å
152C90.3Very high95.7Very high48 Ų4830.6 Ų30.632%0.32419%0.189SC..G310 helixtrans-68.4-17.6175.462.40000114.1F65 Y150F65-C152 HydrophobicContact CE1-CB 3.81Å; F65-C152 HydrophobicContact CZ-CB 4.47Å; Y150-C152 PolarHBondContact O-N 3.47Å
153F94.6Very high95.6Very high0 Ų030.6 Ų30.60%019%0.189CC..G310 helixtrans-89.2-11.1175.9-70.4-2.1000113.6I60 N62 F65 I71 S101 L146 K147 Y150 S151 S155 S156I60-F153 HydrophobicContact CD1-CE2 4.39Å; N62-F153 WeakPolarHBondContact OD1-CZ 3.25Å; F65-F153 HydrophobicContact CD1-CD1 4.36Å; F65-F153 AromaticContact CD1-CE1 3.78Å; F65-F153 HydrophobicContact CD1-CE1 3.78Å; F65-F153 HydrophobicContact CD2-CD1 4.43Å; F65-F153 AromaticContact CD2-CE1 3.84Å; F65-F153 HydrophobicContact CD2-CE1 3.84Å; F65-F153 AromaticContact CE1-CD1 3.75Å; F65-F153 HydrophobicContact CE1-CD1 3.75Å; F65-F153 AromaticContact CE1-CE1 3.65Å; F65-F153 HydrophobicContact CE1-CE1 3.65Å; F65-F153 AromaticContact CE2-CD1 3.8Å; F65-F153 HydrophobicContact CE2-CD1 3.8Å; F65-F153 AromaticContact CE2-CE1 3.67Å; F65-F153 HydrophobicContact CE2-CE1 3.67Å; F65-F153 AromaticContact CG-CE1 3.87Å; F65-F153 HydrophobicContact CG-CE1 3.87Å; F65-F153 AromaticContact CZ-CD1 3.43Å; F65-F153 HydrophobicContact CZ-CD1 3.43Å; F65-F153 VanDerWaalsContact CZ-CD1 3.43Å; F65-F153 AromaticContact CZ-CE1 3.58Å; F65-F153 HydrophobicContact CZ-CE1 3.58Å; I71-F153 HydrophobicContact CD1-CB 4.16Å; I71-F153 HydrophobicContact CD1-CD2 3.81Å; I71-F153 HydrophobicContact CD1-CE2 4.33Å; I71-F153 HydrophobicContact CD1-CG 3.97Å; I71-F153 HydrophobicContact CG1-CD2 4.42Å; I71-F153 HydrophobicContact CG1-CG 4.43Å; S101-F153 WeakPolarHBondContact OG-CZ 3.25Å; L146-F153 HydrophobicContact CB-CD2 4.13Å; L146-F153 HydrophobicContact CB-CE2 4.48Å; K147-F153 HydrophobicContact CG-CB 4.2Å; K147-F153 WeakPolarHBondContact CG-O 3.45Å; Y150-F153 AromaticContact CD2-CD2 3.9Å; Y150-F153 HydrophobicContact CD2-CD2 3.9Å; Y150-F153 AromaticContact CD2-CE2 3.8Å; Y150-F153 HydrophobicContact CD2-CE2 3.8Å; Y150-F153 HydrophobicContact CG-CD2 4.07Å; Y150-F153 HydrophobicContact CG-CE2 4.04Å; Y150-F153 WeakPolarHBondContact O-CB 3.37Å; Y150-F153 PolarHBondContact O-N 2.77Å; S151-F153 PolarHBondContact O-N 3.25Å; F153-S155 PolarHBondContact O-N 3.2Å; F153-S156 WeakPolarHBondContact O-CB 3.49Å; F153-S156 PolarHBondContact O-N 2.88Å
154A90.6Very high95.6Very high55 Ų5530.9 Ų30.946%0.45519%0.191SC..THydrogen-bonded Turntrans-53-34.7-169.700000113.8S151S151-A154 WeakPolarHBondContact O-CB 3.43Å; S151-A154 PolarHBondContact O-N 3.05Å
155S89.9Confident95.6Very high37 Ų3728.1 Ų28.126%0.25918%0.177SC..THydrogen-bonded Turntrans-105.31.2176.460.60000114.7F153F153-S155 PolarHBondContact O-N 3.2Å
156S95.7Very high95.6Very high0 Ų025.1 Ų25.10%016%0.163CC..  trans-65130.4-173.3-72.70000111.4G69 K147 F153G69-S156 VanDerWaalsContact O-CB 3.28Å; G69-S156 WeakPolarHBondContact O-CB 3.45Å; G69-S156 PolarHBondContact O-OG 3.33Å; K147-S156 VanDerWaalsContact CE-O 3.28Å; K147-S156 WeakPolarHBondContact CE-O 3.43Å; K147-S156 PolarHBondContact NZ-O 3.1Å; F153-S156 WeakPolarHBondContact O-CB 3.49Å; F153-S156 PolarHBondContact O-N 2.88Å
157P97.3Very high95.7Very high0 Ų025.1 Ų25.10%016%0.163CC..  trans-62.9145.6165.918.8-21.9000109.9P70 I71 A182 I471 W474P70-P157 CarbonylContact C-O 3.28Å; P70-P157 VanDerWaalsContact CA-O 3.24Å; P70-P157 WeakPolarHBondContact CA-O 3.26Å; P70-P157 HydrophobicContact CB-CG 4.08Å; I71-P157 PolarHBondContact N-O 2.84Å; P157-A182 HydrophobicContact CB-CB 3.88Å; P157-I471 HydrophobicContact CB-CG1 4.48Å; P157-I471 HydrophobicContact CG-CB 4.25Å; P157-I471 HydrophobicContact CG-CG1 4.02Å; P157-I471 HydrophobicContact CG-CG2 3.95Å; P157-W474 HydrophobicContact CB-CB 3.92Å; P157-W474 HydrophobicContact CB-CD2 4.26Å; P157-W474 HydrophobicContact CB-CG 3.65Å; P157-W474 HydrophobicContact CG-CG 4.48Å
158V98.6Very high95.8Very high0 Ų023.8 Ų23.80%016%0.157CC..EExtended strand (participates in β ladder)trans-110.7126.8175.1-175.20000108.7I71 F73 I143 I181 A182I71-V158 HydrophobicContact CB-CG2 4.32Å; I71-V158 HydrophobicContact CD1-CG2 4.33Å; I71-V158 WeakPolarHBondContact O-CA 3.42Å; F73-V158 HydrophobicContact CB-CG1 3.76Å; F73-V158 HydrophobicContact CG-CG1 4.45Å; I143-V158 HydrophobicContact CD1-CG1 3.95Å; I143-V158 HydrophobicContact CG1-CG1 4.39Å; I143-V158 HydrophobicContact CG2-CG2 3.81Å; V158-I181 HydrophobicContact CB-CD1 4.35Å; V158-I181 HydrophobicContact CG1-CD1 4.02Å; V158-A182 WeakPolarHBondContact O-CB 3.28Å; V158-A182 PolarHBondContact O-N 3.03Å
159I98.9Very high96Very high0 Ų020 Ų200%013%0.126CC..EExtended strand (participates in β ladder)trans-111.4116.6175.7-52-63.3000107.2P70 I71 L72 F73 F161 A182 G183 I467 W470 I471P70-I159 HydrophobicContact CB-CG1 4.37Å; I71-I159 PolarHBondContact O-N 2.97Å; L72-I159 HydrophobicContact CD2-CB 4.21Å; L72-I159 HydrophobicContact CD2-CG1 4.4Å; F73-I159 PolarHBondContact N-O 3.14Å; I159-F161 HydrophobicContact CB-CE2 3.89Å; I159-F161 HydrophobicContact CG2-CD2 4.15Å; I159-F161 HydrophobicContact CG2-CE2 3.44Å; I159-F161 VanDerWaalsContact CG2-CE2 3.44Å; I159-F161 HydrophobicContact CG2-CZ 3.87Å; I159-F161 WeakPolarHBondContact O-CD2 3.08Å; I159-A182 HydrophobicContact CD1-CB 3.99Å; I159-G183 WeakPolarHBondContact CA-O 3.39Å; I159-I467 HydrophobicContact CD1-CG2 4.49Å; I159-I467 HydrophobicContact CG1-CG2 4.11Å; I159-I467 HydrophobicContact CG2-CD1 4.49Å; I159-I467 HydrophobicContact CG2-CG1 4.07Å; I159-W470 HydrophobicContact CD1-CB 4.34Å; I159-W470 HydrophobicContact CD1-CE3 4.27Å; I159-I471 HydrophobicContact CD1-CG1 4.34Å
160A98.9Very high96.2Very high0 Ų015.2 Ų15.20%010%0.1CC..EExtended strand (participates in β ladder)trans-79.9140.8178.300000110.6F73 T75 I173 I181 G183 A184 I185F73-A160 CarbonylContact O-C 3.52Å; F73-A160 VanDerWaalsContact O-CA 3.28Å; F73-A160 WeakPolarHBondContact O-CA 3.4Å; T75-A160 HydrophobicContact CG2-CB 4.48Å; A160-I173 HydrophobicContact CB-CG2 3.75Å; A160-I181 HydrophobicContact CB-CG2 3.95Å; A160-G183 PolarHBondContact N-O 3.43Å; A160-A184 HydrophobicContact CB-CB 4.03Å; A160-A184 CarbonylContact O-C 3.49Å; A160-A184 VanDerWaalsContact O-CA 3.26Å; A160-A184 WeakPolarHBondContact O-CA 3.37Å; A160-I185 PolarHBondContact O-N 3.34Å
161F98.9Very high96.5Very high0 Ų012.2 Ų12.20%09%0.088CC..EExtended strand (participates in β ladder)trans-131.5145.4173.9-69.7-100.7000110.3L72 F73 Y74 T75 I91 L94 I159 S170 I185 L445 I467L72-F161 HydrophobicContact CB-CD2 4.31Å; L72-F161 HydrophobicContact CB-CE2 3.89Å; L72-F161 HydrophobicContact CD2-CE2 3.86Å; L72-F161 HydrophobicContact CD2-CZ 4.32Å; L72-F161 HydrophobicContact CG-CE2 4.31Å; F73-F161 PolarHBondContact O-N 2.84Å; Y74-F161 CarbonylContact C-O 3.56Å; Y74-F161 VanDerWaalsContact CA-O 3.25Å; Y74-F161 WeakPolarHBondContact CA-O 3.4Å; Y74-F161 HydrophobicContact CD2-CB 4.16Å; T75-F161 PolarHBondContact N-O 2.96Å; T75-F161 PolarHBondContact OG1-O 3.38Å; I91-F161 HydrophobicContact CD1-CB 3.55Å; I91-F161 HydrophobicContact CD1-CD1 3.96Å; I91-F161 HydrophobicContact CD1-CD2 4.38Å; I91-F161 HydrophobicContact CD1-CG 3.73Å; I91-F161 HydrophobicContact CG1-CB 4.35Å; I91-F161 HydrophobicContact CG1-CD1 3.82Å; I91-F161 HydrophobicContact CG1-CE1 4.19Å; I91-F161 HydrophobicContact CG1-CG 4.01Å; L94-F161 HydrophobicContact CD1-CE1 4.02Å; L94-F161 HydrophobicContact CD1-CZ 3.89Å; I159-F161 HydrophobicContact CB-CE2 3.89Å; I159-F161 HydrophobicContact CG2-CD2 4.15Å; I159-F161 HydrophobicContact CG2-CE2 3.44Å; I159-F161 VanDerWaalsContact CG2-CE2 3.44Å; I159-F161 HydrophobicContact CG2-CZ 3.87Å; I159-F161 WeakPolarHBondContact O-CD2 3.08Å; F161-S170 WeakPolarHBondContact CA-OG 3.14Å; F161-S170 PolarHBondContact N-OG 3.42Å; F161-S170 PolarHBondContact O-OG 3.09Å; F161-I185 HydrophobicContact CD1-CB 3.69Å; F161-I185 HydrophobicContact CD1-CG1 3.7Å; F161-I185 HydrophobicContact CD1-CG2 4.31Å; F161-I185 HydrophobicContact CE1-CB 3.99Å; F161-I185 HydrophobicContact CE1-CG1 3.45Å; F161-I185 VanDerWaalsContact CE1-CG1 3.45Å; F161-I185 HydrophobicContact CG-CB 4.38Å; F161-I185 HydrophobicContact CG-CG1 4.48Å; F161-I185 HydrophobicContact CZ-CG1 4.05Å; F161-L445 HydrophobicContact CD1-CD2 4.2Å; F161-I467 HydrophobicContact CE1-CD1 4.01Å; F161-I467 HydrophobicContact CZ-CD1 3.61Å
162G98.8Very high97Very high0 Ų07 Ų70%05%0.052CC..EExtended strand (participates in β ladder)trans-170.6148.7168.200000112.3G166 G167 S170 I185 S187G162-G166 VanDerWaalsContact CA-C 3.46Å; G162-G167 VanDerWaalsContact C-CA 3.44Å; G162-G167 WeakPolarHBondContact O-CA 3.45Å; G162-G167 PolarHBondContact O-N 3.37Å; G162-S170 PolarHBondContact N-OG 2.78Å; G162-I185 PolarHBondContact N-O 3.24Å; G162-I185 VanDerWaalsContact N-O 3.14Å; G162-S187 PolarHBondContact O-N 3.14Å
163G98.3Very high97.4Very high1 Ų14.8 Ų4.81%0.014%0.037CC..EExtended strand (participates in β ladder)trans-100.9152.3168.500000110.8Y74 Y165 G166 G167 S187Y74-G163 PolarHBondContact OH-N 2.75Å; G163-Y165 PolarHBondContact O-N 3.12Å; G163-G166 VanDerWaalsContact O-CA 3.23Å; G163-G166 WeakPolarHBondContact O-CA 3.37Å; G163-G166 PolarHBondContact O-N 3.14Å; G163-G167 PolarHBondContact O-N 3.27Å; G163-G167 VanDerWaalsContact O-N 3.13Å; G163-S187 CarbonylContact C-O 3.41Å; G163-S187 VanDerWaalsContact CA-O 3.25Å; G163-S187 WeakPolarHBondContact CA-O 3.47Å
164S97.2Very high97.5Very high6 Ų65.8 Ų5.84%0.0424%0.041CC..THydrogen-bonded Turntrans59.9-133.9175.1-166.80000112.2G166 G167 M168 S187 S188 H441S164-G166 PolarHBondContact O-N 2.96Å; S164-G167 WeakPolarHBondContact O-CA 3.44Å; S164-G167 PolarHBondContact O-N 2.78Å; S164-M168 PolarHBondContact O-N 3.43Å; S164-M168 VanDerWaalsContact O-N 3.12Å; S164-S187 PolarHBondContact N-O 3.44Å; S164-S188 WeakPolarHBondContact CA-O 3.34Å; S164-H441 VanDerWaalsContact CB-NE2 3.27Å; S164-H441 WeakPolarHBondContact CB-NE2 3.47Å; S164-H441 PolarHBondContact OG-NE2 3.41Å
165Y97.7Very high97.8Very high0 Ų04 Ų40%02%0.023CC..Hα-helixtrans-55.3-33.9168.3173.7-134.3000112.9N77 E78 H107 G163 G167 M168 L169 W172 W344 Q347 M352N77-Y165 HydrophobicContact CB-CD1 3.78Å; N77-Y165 HydrophobicContact CB-CG 4.34Å; E78-Y165 WeakPolarHBondContact OE2-CB 3.28Å; E78-Y165 WeakPolarHBondContact OE2-CD1 3.47Å; H107-Y165 AromaticContact CD2-CE1 3.65Å; H107-Y165 AromaticContact NE2-CE1 3.4Å; H107-Y165 WeakPolarHBondContact NE2-CE1 3.44Å; H107-Y165 AromaticContact NE2-CZ 3.61Å; H107-Y165 PolarHBondContact NE2-OH 2.78Å; G163-Y165 PolarHBondContact O-N 3.12Å; Y165-G167 PolarHBondContact O-N 2.97Å; Y165-M168 HydrophobicContact CD2-CB 4.3Å; Y165-M168 HydrophobicContact CD2-SD 4.1Å; Y165-M168 WeakPolarHBondContact O-CA 3.43Å; Y165-M168 VanDerWaalsContact O-CB 3.32Å; Y165-M168 WeakPolarHBondContact O-CB 3.44Å; Y165-M168 PolarHBondContact O-N 2.9Å; Y165-L169 HydrophobicContact CD1-CD1 4.09Å; Y165-L169 HydrophobicContact CD2-CD1 4.45Å; Y165-L169 HydrophobicContact CD2-CG 4.17Å; Y165-L169 HydrophobicContact CE1-CD1 3.77Å; Y165-L169 HydrophobicContact CE1-CG 4.36Å; Y165-L169 HydrophobicContact CE2-CD1 4.14Å; Y165-L169 HydrophobicContact CE2-CD2 3.93Å; Y165-L169 HydrophobicContact CE2-CG 3.81Å; Y165-L169 HydrophobicContact CG-CD1 4.42Å; Y165-L169 WeakPolarHBondContact O-CG 3.34Å; Y165-L169 PolarHBondContact O-N 3.19Å; Y165-W172 HydrophobicContact CD2-CZ3 4.42Å; Y165-W172 HydrophobicContact CE2-CH2 4.49Å; Y165-W172 AromaticContact CE2-CZ3 3.89Å; Y165-W172 HydrophobicContact CE2-CZ3 3.89Å; Y165-W344 HydrophobicContact CD1-CE3 4.3Å; Y165-W344 HydrophobicContact CD1-CH2 4.42Å; Y165-W344 AromaticContact CD1-CZ3 3.52Å; Y165-W344 HydrophobicContact CD1-CZ3 3.52Å; Y165-W344 HydrophobicContact CD2-CH2 4.36Å; Y165-W344 HydrophobicContact CD2-CZ3 4.13Å; Y165-W344 HydrophobicContact CE1-CZ3 4.09Å; Y165-W344 AromaticContact CG-CH2 3.99Å; Y165-W344 HydrophobicContact CG-CH2 3.99Å; Y165-W344 AromaticContact CG-CZ3 3.55Å; Y165-W344 HydrophobicContact CG-CZ3 3.55Å; Y165-Q347 PolarHBondContact OH-NE2 2.99Å; Y165-M352 HydrophobicContact CD2-SD 4.49Å; Y165-M352 HydrophobicContact CE2-CE 3.67Å; Y165-M352 HydrophobicContact CE2-SD 4.14Å
166G98.6Very high98.2Very high0 Ų05.1 Ų5.10%02%0.023CC..Hα-helixtrans-58.7-38.1170.300000111.7T75 N77 G162 G163 S164 L169 S170T75-G166 WeakPolarHBondContact O-CA 3.4Å; T75-G166 PolarHBondContact OG1-O 3.42Å; N77-G166 VanDerWaalsContact CB-N 3.32Å; G162-G166 VanDerWaalsContact CA-C 3.46Å; G163-G166 VanDerWaalsContact O-CA 3.23Å; G163-G166 WeakPolarHBondContact O-CA 3.37Å; G163-G166 PolarHBondContact O-N 3.14Å; S164-G166 PolarHBondContact O-N 2.96Å; G166-L169 PolarHBondContact O-N 2.89Å; G166-S170 WeakPolarHBondContact O-CB 3.29Å; G166-S170 PolarHBondContact O-N 2.84Å; G166-S170 PolarHBondContact O-OG 2.96Å
167G98.7Very high98.3Very high0 Ų08 Ų80%03%0.034CC..Hα-helixtrans-65.7-38.1173.600000112.3G162 G163 S164 Y165 S170 A171 A186 A189G162-G167 VanDerWaalsContact C-CA 3.44Å; G162-G167 WeakPolarHBondContact O-CA 3.45Å; G162-G167 PolarHBondContact O-N 3.37Å; G163-G167 PolarHBondContact O-N 3.27Å; G163-G167 VanDerWaalsContact O-N 3.13Å; S164-G167 WeakPolarHBondContact O-CA 3.44Å; S164-G167 PolarHBondContact O-N 2.78Å; Y165-G167 PolarHBondContact O-N 2.97Å; G167-S170 PolarHBondContact O-N 2.83Å; G167-A171 PolarHBondContact O-N 3.25Å; G167-A186 VanDerWaalsContact O-CB 3.23Å; G167-A186 WeakPolarHBondContact O-CB 3.31Å; G167-A189 VanDerWaalsContact C-CB 3.45Å
168M98.5Very high98.3Very high0 Ų010.8 Ų10.80%05%0.052CC..Hα-helixtrans-61.9-47.9172.7-56.6167.473.600110.7S164 Y165 S170 A171 W172 A189 P190 V191 L193 F194 M352S164-M168 PolarHBondContact O-N 3.43Å; S164-M168 VanDerWaalsContact O-N 3.12Å; Y165-M168 HydrophobicContact CD2-CB 4.3Å; Y165-M168 HydrophobicContact CD2-SD 4.1Å; Y165-M168 WeakPolarHBondContact O-CA 3.43Å; Y165-M168 VanDerWaalsContact O-CB 3.32Å; Y165-M168 WeakPolarHBondContact O-CB 3.44Å; Y165-M168 PolarHBondContact O-N 2.9Å; M168-S170 VanDerWaalsContact C-N 3.3Å; M168-S170 PolarHBondContact O-N 2.91Å; M168-A171 PolarHBondContact O-N 3.24Å; M168-W172 HydrophobicContact CB-CD2 4.24Å; M168-W172 HydrophobicContact CB-CE3 4.16Å; M168-W172 HydrophobicContact CB-CH2 3.74Å; M168-W172 HydrophobicContact CB-CZ2 3.82Å; M168-W172 HydrophobicContact CB-CZ3 3.9Å; M168-W172 HydrophobicContact CE-CH2 3.32Å; M168-W172 HydrophobicContact CE-CZ2 3.43Å; M168-W172 VanDerWaalsContact CE-CZ2 3.43Å; M168-W172 HydrophobicContact CE-CZ3 4.43Å; M168-W172 HydrophobicContact CG-CH2 4.5Å; M168-W172 HydrophobicContact CG-CZ2 4.48Å; M168-W172 WeakPolarHBondContact O-CB 3.4Å; M168-W172 PolarHBondContact O-N 3.18Å; M168-W172 HydrophobicContact SD-CH2 4.36Å; M168-A189 HydrophobicContact CG-CB 4.29Å; M168-P190 HydrophobicContact CG-CG 4.49Å; M168-P190 HydrophobicContact SD-CG 3.89Å; M168-V191 HydrophobicContact CB-CG1 4.24Å; M168-V191 HydrophobicContact CG-CG1 3.99Å; M168-L193 HydrophobicContact CE-CD2 3.38Å; M168-L193 HydrophobicContact CE-CG 3.84Å; M168-L193 HydrophobicContact SD-CD2 3.67Å; M168-F194 HydrophobicContact CE-CE2 4.21Å; M168-F194 HydrophobicContact CE-CZ 3.92Å; M168-M352 HydrophobicContact CE-SD 4.28Å
169L98.8Very high98.1Very high0 Ų015.8 Ų15.80%08%0.079CC..Hα-helixtrans-59-40.5175.3-67.9168.5000111.9G76 A132 T135 L136 Y139 Y165 G166 W172 I173G76-L169 VanDerWaalsContact O-CD1 3.25Å; G76-L169 WeakPolarHBondContact O-CD1 3.3Å; A132-L169 HydrophobicContact CB-CD2 4.1Å; T135-L169 HydrophobicContact CG2-CD1 4.41Å; T135-L169 HydrophobicContact CG2-CD2 4.42Å; L136-L169 HydrophobicContact CD2-CB 4.37Å; L136-L169 HydrophobicContact CD2-CD2 3.9Å; L136-L169 HydrophobicContact CG-CD2 4.39Å; Y139-L169 HydrophobicContact CE2-CD1 4.27Å; Y165-L169 HydrophobicContact CD1-CD1 4.09Å; Y165-L169 HydrophobicContact CD2-CD1 4.45Å; Y165-L169 HydrophobicContact CD2-CG 4.17Å; Y165-L169 HydrophobicContact CE1-CD1 3.77Å; Y165-L169 HydrophobicContact CE1-CG 4.36Å; Y165-L169 HydrophobicContact CE2-CD1 4.14Å; Y165-L169 HydrophobicContact CE2-CD2 3.93Å; Y165-L169 HydrophobicContact CE2-CG 3.81Å; Y165-L169 HydrophobicContact CG-CD1 4.42Å; Y165-L169 WeakPolarHBondContact O-CG 3.34Å; Y165-L169 PolarHBondContact O-N 3.19Å; G166-L169 PolarHBondContact O-N 2.89Å; L169-W172 HydrophobicContact CD2-CE3 4.16Å; L169-W172 HydrophobicContact CD2-CZ3 4.38Å; L169-W172 PolarHBondContact O-N 2.81Å; L169-I173 WeakPolarHBondContact O-CB 3.4Å; L169-I173 WeakPolarHBondContact O-CG2 3.42Å; L169-I173 PolarHBondContact O-N 3.42Å
170S98.9Very high98Very high0 Ų017.7 Ų17.70%09%0.088CC..Hα-helixtrans-64.6-40.5175.2-84.90000113.2T75 F161 G162 G166 G167 M168 I173 R174 A184T75-S170 PolarHBondContact OG1-N 3.12Å; T75-S170 PolarHBondContact OG1-OG 2.89Å; F161-S170 WeakPolarHBondContact CA-OG 3.14Å; F161-S170 PolarHBondContact N-OG 3.42Å; F161-S170 PolarHBondContact O-OG 3.09Å; G162-S170 PolarHBondContact N-OG 2.78Å; G166-S170 WeakPolarHBondContact O-CB 3.29Å; G166-S170 PolarHBondContact O-N 2.84Å; G166-S170 PolarHBondContact O-OG 2.96Å; G167-S170 PolarHBondContact O-N 2.83Å; M168-S170 VanDerWaalsContact C-N 3.3Å; M168-S170 PolarHBondContact O-N 2.91Å; S170-I173 WeakPolarHBondContact O-CG2 3.09Å; S170-R174 PolarHBondContact O-N 3.39Å; S170-A184 WeakPolarHBondContact O-CB 3.39Å
171A98.6Very high98Very high0 Ų017.7 Ų17.70%09%0.088CC..Hα-helixtrans-64-48.8172.400000110.9G167 M168 R174 Q175 A186 V191 I407 F409G167-A171 PolarHBondContact O-N 3.25Å; M168-A171 PolarHBondContact O-N 3.24Å; A171-R174 PolarHBondContact O-N 3.41Å; A171-Q175 VanDerWaalsContact O-CG 3.27Å; A171-Q175 WeakPolarHBondContact O-CG 3.19Å; A171-Q175 PolarHBondContact O-N 3.08Å; A171-A186 HydrophobicContact CB-CB 3.98Å; A171-V191 HydrophobicContact CB-CG1 4.39Å; A171-I407 HydrophobicContact CB-CD1 4.37Å; A171-I407 HydrophobicContact CB-CG2 4.4Å; A171-F409 HydrophobicContact CB-CE1 3.84Å; A171-F409 HydrophobicContact CB-CZ 4.16Å
172W98.4Very high97.9Very high1 Ų117.8 Ų17.80%0.0049%0.089CC..Hα-helixtrans-69.5-36-175.4-58.6-29.8000113.4A132 L136 Y165 M168 L169 R174 Q175 K176 F194 M352 F396A132-W172 HydrophobicContact CB-CE3 4.31Å; A132-W172 HydrophobicContact CB-CZ3 3.97Å; L136-W172 HydrophobicContact CD1-CB 3.84Å; L136-W172 HydrophobicContact CD2-CB 4.46Å; Y165-W172 HydrophobicContact CD2-CZ3 4.42Å; Y165-W172 HydrophobicContact CE2-CH2 4.49Å; Y165-W172 AromaticContact CE2-CZ3 3.89Å; Y165-W172 HydrophobicContact CE2-CZ3 3.89Å; M168-W172 HydrophobicContact CB-CD2 4.24Å; M168-W172 HydrophobicContact CB-CE3 4.16Å; M168-W172 HydrophobicContact CB-CH2 3.74Å; M168-W172 HydrophobicContact CB-CZ2 3.82Å; M168-W172 HydrophobicContact CB-CZ3 3.9Å; M168-W172 HydrophobicContact CE-CH2 3.32Å; M168-W172 HydrophobicContact CE-CZ2 3.43Å; M168-W172 VanDerWaalsContact CE-CZ2 3.43Å; M168-W172 HydrophobicContact CE-CZ3 4.43Å; M168-W172 HydrophobicContact CG-CH2 4.5Å; M168-W172 HydrophobicContact CG-CZ2 4.48Å; M168-W172 WeakPolarHBondContact O-CB 3.4Å; M168-W172 PolarHBondContact O-N 3.18Å; M168-W172 HydrophobicContact SD-CH2 4.36Å; L169-W172 HydrophobicContact CD2-CE3 4.16Å; L169-W172 HydrophobicContact CD2-CZ3 4.38Å; L169-W172 PolarHBondContact O-N 2.81Å; W172-R174 VanDerWaalsContact C-N 3.3Å; W172-R174 PolarHBondContact O-N 2.88Å; W172-Q175 WeakPolarHBondContact O-CB 3.46Å; W172-Q175 PolarHBondContact O-N 3.05Å; W172-K176 WeakPolarHBondContact O-CB 3.35Å; W172-K176 WeakPolarHBondContact O-CG 3.49Å; W172-K176 PolarHBondContact O-N 3.38Å; W172-F194 HydrophobicContact CH2-CZ 4.02Å; W172-F194 HydrophobicContact CZ2-CE2 4.09Å; W172-F194 AromaticContact CZ2-CZ 3.94Å; W172-F194 HydrophobicContact CZ2-CZ 3.94Å; W172-M352 HydrophobicContact CH2-CE 3.74Å; W172-M352 HydrophobicContact CH2-SD 4Å; W172-M352 HydrophobicContact CZ3-CE 3.77Å; W172-F396 HydrophobicContact CB-CD1 4.42Å; W172-F396 HydrophobicContact CD2-CB 4.47Å; W172-F396 AromaticContact CD2-CD1 3.49Å; W172-F396 HydrophobicContact CD2-CD1 3.49Å; W172-F396 VanDerWaalsContact CD2-CD1 3.49Å; W172-F396 AromaticContact CD2-CE1 3.93Å; W172-F396 HydrophobicContact CD2-CE1 3.93Å; W172-F396 AromaticContact CD2-CG 3.98Å; W172-F396 HydrophobicContact CD2-CG 3.98Å; W172-F396 AromaticContact CE2-CD1 3.6Å; W172-F396 AromaticContact CE2-CG 3.55Å; W172-F396 AromaticContact CE3-CD1 3.86Å; W172-F396 HydrophobicContact CE3-CD1 3.86Å; W172-F396 AromaticContact CE3-CE1 3.79Å; W172-F396 HydrophobicContact CE3-CE1 3.79Å; W172-F396 HydrophobicContact CE3-CG 4.44Å; W172-F396 HydrophobicContact CE3-CZ 4.32Å; W172-F396 AromaticContact CG-CD1 3.76Å; W172-F396 HydrophobicContact CG-CD1 3.76Å; W172-F396 HydrophobicContact CG-CE1 4.4Å; W172-F396 HydrophobicContact CG-CG 4.44Å; W172-F396 HydrophobicContact CH2-CD1 4.32Å; W172-F396 AromaticContact CH2-CD2 3.95Å; W172-F396 HydrophobicContact CH2-CD2 3.95Å; W172-F396 HydrophobicContact CH2-CE1 4.42Å; W172-F396 HydrophobicContact CH2-CE2 4.07Å; W172-F396 HydrophobicContact CH2-CG 4.13Å; W172-F396 HydrophobicContact CH2-CZ 4.34Å; W172-F396 HydrophobicContact CZ2-CB 3.95Å; W172-F396 HydrophobicContact CZ2-CD1 4.01Å; W172-F396 AromaticContact CZ2-CD2 3.77Å; W172-F396 HydrophobicContact CZ2-CD2 3.77Å; W172-F396 HydrophobicContact CZ2-CE2 4.35Å; W172-F396 AromaticContact CZ2-CG 3.62Å; W172-F396 HydrophobicContact CZ2-CG 3.62Å; W172-F396 HydrophobicContact CZ3-CD1 4.26Å; W172-F396 HydrophobicContact CZ3-CD2 4.5Å; W172-F396 HydrophobicContact CZ3-CE1 4.06Å; W172-F396 HydrophobicContact CZ3-CE2 4.32Å; W172-F396 HydrophobicContact CZ3-CZ 4.13Å; W172-F396 AromaticContact NE1-CD1 3.94Å; W172-F396 AromaticContact NE1-CG 3.86Å
173I98.7Very high97.9Very high0 Ų017.8 Ų17.80%09%0.089CC..Hα-helixtrans-64.5-38176.2-156177.2000110.8T75 L136 Y139 V140 A160 L169 S170 Y177 I181T75-I173 HydrophobicContact CG2-CD1 4.5Å; T75-I173 HydrophobicContact CG2-CG2 4.23Å; L136-I173 HydrophobicContact CD2-CB 3.75Å; L136-I173 HydrophobicContact CD2-CG1 4.19Å; Y139-I173 HydrophobicContact CD2-CD1 4.36Å; V140-I173 HydrophobicContact CG2-CD1 4.02Å; V140-I173 HydrophobicContact CG2-CG1 4.06Å; A160-I173 HydrophobicContact CB-CG2 3.75Å; L169-I173 WeakPolarHBondContact O-CB 3.4Å; L169-I173 WeakPolarHBondContact O-CG2 3.42Å; L169-I173 PolarHBondContact O-N 3.42Å; S170-I173 WeakPolarHBondContact O-CG2 3.09Å; I173-Y177 HydrophobicContact CG1-CD2 3.98Å; I173-Y177 WeakPolarHBondContact O-CA 3.33Å; I173-Y177 WeakPolarHBondContact O-CB 3.42Å; I173-Y177 PolarHBondContact O-N 2.86Å; I173-I181 HydrophobicContact CB-CG1 4.46Å; I173-I181 HydrophobicContact CD1-CD1 3.93Å; I173-I181 HydrophobicContact CD1-CG1 4.27Å; I173-I181 HydrophobicContact CG1-CD1 4.17Å; I173-I181 HydrophobicContact CG1-CG1 3.93Å; I173-I181 HydrophobicContact CG2-CD1 4.44Å; I173-I181 HydrophobicContact CG2-CG1 4.09Å; I173-I181 HydrophobicContact CG2-CG2 4.38Å
174R98.5Very high97.9Very high22 Ų2217.7 Ų17.78%0.0839%0.088CC..Hα-helixtrans-68.6-38.5173.7173.257.1-169.2169.34.4111.9S170 A171 W172 P178 I181 A184 T405 I407S170-R174 PolarHBondContact O-N 3.39Å; A171-R174 PolarHBondContact O-N 3.41Å; W172-R174 VanDerWaalsContact C-N 3.3Å; W172-R174 PolarHBondContact O-N 2.88Å; R174-P178 PolarHBondContact NH1-O 3.36Å; R174-P178 VanDerWaalsContact NH1-O 3.14Å; R174-P178 WeakPolarHBondContact O-CB 3.38Å; R174-P178 WeakPolarHBondContact O-CD 3.45Å; R174-I181 HydrophobicContact CB-CB 4.5Å; R174-I181 HydrophobicContact CB-CG2 4Å; R174-I181 WeakPolarHBondContact CD-O 2.99Å; R174-I181 PolarHBondContact NH1-O 3.33Å; R174-A184 HydrophobicContact CB-CB 3.87Å; R174-A184 HydrophobicContact CG-CB 4.42Å; R174-T405 PolarHBondContact NE-O 3.18Å; R174-T405 PolarHBondContact NH2-OG1 2.55Å; R174-I407 HydrophobicContact CB-CD1 4.23Å; R174-I407 HydrophobicContact CB-CG1 4.16Å; R174-I407 HydrophobicContact CG-CD1 4.01Å; R174-I407 HydrophobicContact CG-CG1 3.65Å
175Q97Very high98Very high17 Ų1717.4 Ų17.48%0.0799%0.086CC..Hα-helixtrans-63.7-46.1176.1-73.9173.6-000112.7A171 W172 W397 V404 I407A171-Q175 VanDerWaalsContact O-CG 3.27Å; A171-Q175 WeakPolarHBondContact O-CG 3.19Å; A171-Q175 PolarHBondContact O-N 3.08Å; W172-Q175 WeakPolarHBondContact O-CB 3.46Å; W172-Q175 PolarHBondContact O-N 3.05Å; Q175-W397 HydrophobicContact CB-CE3 4.31Å; Q175-W397 HydrophobicContact CB-CH2 3.6Å; Q175-W397 HydrophobicContact CB-CZ2 4.03Å; Q175-W397 HydrophobicContact CB-CZ3 3.77Å; Q175-W397 HydrophobicContact CG-CE3 4Å; Q175-W397 HydrophobicContact CG-CH2 4.02Å; Q175-W397 HydrophobicContact CG-CZ3 3.63Å; Q175-V404 HydrophobicContact CG-CG1 3.89Å; Q175-I407 HydrophobicContact CG-CD1 4.09Å
176K97.2Very high98.1Very high61 Ų6117.4 Ų17.427%0.2659%0.086SC..Hα-helixtrans-85.2-32.2-173.3-65.9-78.7177.7160.90113.2L136 W172 P178 E395L136-K176 HydrophobicContact CD1-CG 4.44Å; W172-K176 WeakPolarHBondContact O-CB 3.35Å; W172-K176 WeakPolarHBondContact O-CG 3.49Å; W172-K176 PolarHBondContact O-N 3.38Å; K176-P178 WeakPolarHBondContact O-CD 3.27Å; K176-E395 WeakPolarHBondContact CE-O 3.47Å; K176-E395 VanDerWaalsContact CE-OE1 3.28Å; K176-E395 WeakPolarHBondContact CE-OE1 3.17Å; K176-E395 PolarHBondContact NZ-O 3.33Å; K176-E395 IonicContact NZ-OE1 2.65Å; K176-E395 PolarHBondContact NZ-OE1 2.94Å; K176-E395 IonicContact NZ-OE2 3.92Å; K176-E395 PolarHBondContact NZ-OE2 3.33Å; K176-E395 VanDerWaalsContact NZ-OE2 3.07Å
177Y98.1Very high98.1Very high60 Ų6017.4 Ų17.424%0.2359%0.086CC..  trans-126.852.6-176.3-51.6-84.1000112.9L136 V140 I173 N179 Q180 I181L136-Y177 HydrophobicContact CB-CE2 4.03Å; V140-Y177 HydrophobicContact CG1-CD1 4.34Å; V140-Y177 HydrophobicContact CG2-CD1 3.92Å; V140-Y177 HydrophobicContact CG2-CD2 3.56Å; V140-Y177 HydrophobicContact CG2-CE1 4.28Å; V140-Y177 HydrophobicContact CG2-CE2 3.96Å; V140-Y177 HydrophobicContact CG2-CG 3.53Å; I173-Y177 HydrophobicContact CG1-CD2 3.98Å; I173-Y177 WeakPolarHBondContact O-CA 3.33Å; I173-Y177 WeakPolarHBondContact O-CB 3.42Å; I173-Y177 PolarHBondContact O-N 2.86Å; Y177-N179 PolarHBondContact O-N 2.8Å; Y177-Q180 PolarHBondContact O-N 3.42Å; Y177-I181 PolarHBondContact O-N 3.43Å
178P96.7Very high98.1Very high58 Ų5817.4 Ų17.438%0.3779%0.086SC..THydrogen-bonded Turntrans-65.8-12.3-179.329.4-36.5000113.2R174 K176 Q180R174-P178 PolarHBondContact NH1-O 3.36Å; R174-P178 VanDerWaalsContact NH1-O 3.14Å; R174-P178 WeakPolarHBondContact O-CB 3.38Å; R174-P178 WeakPolarHBondContact O-CD 3.45Å; K176-P178 WeakPolarHBondContact O-CD 3.27Å; P178-Q180 VanDerWaalsContact C-N 3.32Å
179N94.7Very high98.1Very high105 Ų10517.4 Ų17.456%0.5619%0.086SC*.THydrogen-bonded Turntrans-78.8-12.1171.566.1-55.4000113.7Y177 W474Y177-N179 PolarHBondContact O-N 2.8Å; N179-W474 VanDerWaalsContact O-CH2 3.28Å; N179-W474 WeakPolarHBondContact O-CH2 3.28Å
180Q96.7Very high98Very high40 Ų4017.6 Ų17.619%0.1879%0.087CC..THydrogen-bonded Turntrans-119-31.3179.9-64.6-70.513.200112.9V140 N144 Y177 P178V140-Q180 HydrophobicContact CG1-CG 4.16Å; N144-Q180 PolarHBondContact OD1-NE2 3.41Å; Y177-Q180 PolarHBondContact O-N 3.42Å; P178-Q180 VanDerWaalsContact C-N 3.32Å
181I98.3Very high97.9Very high0 Ų018 Ų180%09%0.09CC..  trans-105.9118.4-177.1-50.9-57.5000108.5I143 V158 A160 I173 R174 Y177 G183I143-I181 HydrophobicContact CD1-CD1 3.6Å; V158-I181 HydrophobicContact CB-CD1 4.35Å; V158-I181 HydrophobicContact CG1-CD1 4.02Å; A160-I181 HydrophobicContact CB-CG2 3.95Å; I173-I181 HydrophobicContact CB-CG1 4.46Å; I173-I181 HydrophobicContact CD1-CD1 3.93Å; I173-I181 HydrophobicContact CD1-CG1 4.27Å; I173-I181 HydrophobicContact CG1-CD1 4.17Å; I173-I181 HydrophobicContact CG1-CG1 3.93Å; I173-I181 HydrophobicContact CG2-CD1 4.44Å; I173-I181 HydrophobicContact CG2-CG1 4.09Å; I173-I181 HydrophobicContact CG2-CG2 4.38Å; R174-I181 HydrophobicContact CB-CB 4.5Å; R174-I181 HydrophobicContact CB-CG2 4Å; R174-I181 WeakPolarHBondContact CD-O 2.99Å; R174-I181 PolarHBondContact NH1-O 3.33Å; Y177-I181 PolarHBondContact O-N 3.43Å; I181-G183 WeakPolarHBondContact CG2-O 3.36Å
182A97.9Very high97.8Very high2 Ų218.4 Ų18.42%0.0179%0.091CC..  trans-76.2-32-176.800000113.2P157 V158 I159 N406 W474P157-A182 HydrophobicContact CB-CB 3.88Å; V158-A182 WeakPolarHBondContact O-CB 3.28Å; V158-A182 PolarHBondContact O-N 3.03Å; I159-A182 HydrophobicContact CD1-CB 3.99Å; A182-N406 WeakPolarHBondContact O-CB 3.19Å; A182-N406 PolarHBondContact O-ND2 3Å; A182-N406 VanDerWaalsContact O-ND2 3.09Å; A182-W474 HydrophobicContact CB-CB 4.14Å; A182-W474 HydrophobicContact CB-CD2 3.88Å; A182-W474 HydrophobicContact CB-CE3 3.48Å; A182-W474 VanDerWaalsContact CB-CE3 3.48Å; A182-W474 HydrophobicContact CB-CG 4.19Å; A182-W474 HydrophobicContact CB-CZ3 4.08Å
183G98.7Very high97.6Very high0 Ų018.6 Ų18.60%09%0.092CC..EExtended strand (participates in β ladder)trans-170.9173.117400000111.6I159 A160 I181 N406I159-G183 WeakPolarHBondContact CA-O 3.39Å; A160-G183 PolarHBondContact N-O 3.43Å; I181-G183 WeakPolarHBondContact CG2-O 3.36Å; G183-N406 CarbonylContact C-O 3.53Å; G183-N406 WeakPolarHBondContact CA-O 3.31Å
184A98.9Very high97.4Very high0 Ų018.7 Ų18.70%09%0.093CC..EExtended strand (participates in β ladder)trans-141.5141.3-177.400000112.9A160 S170 R174 N406 I407 I408A160-A184 HydrophobicContact CB-CB 4.03Å; A160-A184 CarbonylContact O-C 3.49Å; A160-A184 VanDerWaalsContact O-CA 3.26Å; A160-A184 WeakPolarHBondContact O-CA 3.37Å; S170-A184 WeakPolarHBondContact O-CB 3.39Å; R174-A184 HydrophobicContact CB-CB 3.87Å; R174-A184 HydrophobicContact CG-CB 4.42Å; A184-N406 PolarHBondContact N-O 3.06Å; A184-I407 HydrophobicContact CB-CG1 4.37Å; A184-I407 HydrophobicContact CB-CG2 4.45Å; A184-I407 CarbonylContact O-C 3.51Å; A184-I407 WeakPolarHBondContact O-CA 3.47Å; A184-I408 PolarHBondContact O-N 2.98Å
185I98.9Very high97.1Very high0 Ų018.6 Ų18.60%010%0.095CC..EExtended strand (participates in β ladder)trans-103.6105.1165.6-50.7-55.8000107.4A160 F161 G162 I408 L445 E463 I467 W470A160-I185 PolarHBondContact O-N 3.34Å; F161-I185 HydrophobicContact CD1-CB 3.69Å; F161-I185 HydrophobicContact CD1-CG1 3.7Å; F161-I185 HydrophobicContact CD1-CG2 4.31Å; F161-I185 HydrophobicContact CE1-CB 3.99Å; F161-I185 HydrophobicContact CE1-CG1 3.45Å; F161-I185 VanDerWaalsContact CE1-CG1 3.45Å; F161-I185 HydrophobicContact CG-CB 4.38Å; F161-I185 HydrophobicContact CG-CG1 4.48Å; F161-I185 HydrophobicContact CZ-CG1 4.05Å; G162-I185 PolarHBondContact N-O 3.24Å; G162-I185 VanDerWaalsContact N-O 3.14Å; I185-I408 HydrophobicContact CD1-CB 3.94Å; I185-I408 HydrophobicContact CD1-CD1 3.66Å; I185-I408 HydrophobicContact CD1-CG1 4.21Å; I185-L445 HydrophobicContact CG2-CD2 4.43Å; I185-E463 HydrophobicContact CD1-CB 4.34Å; I185-E463 HydrophobicContact CD1-CG 4.28Å; I185-I467 HydrophobicContact CD1-CD1 4.08Å; I185-I467 HydrophobicContact CD1-CG1 4.11Å; I185-I467 HydrophobicContact CG1-CD1 4.07Å; I185-I467 HydrophobicContact CG1-CG1 4.46Å; I185-W470 HydrophobicContact CD1-CH2 4.1Å; I185-W470 HydrophobicContact CD1-CZ3 3.89Å
186A98.8Very high96.9Very high0 Ų021.6 Ų21.60%013%0.131CC..EExtended strand (participates in β ladder)trans-100.884.6178.500000109G167 A171 A189 I407 I408 F409 S410G167-A186 VanDerWaalsContact O-CB 3.23Å; G167-A186 WeakPolarHBondContact O-CB 3.31Å; A171-A186 HydrophobicContact CB-CB 3.98Å; A186-A189 HydrophobicContact CB-CB 3.9Å; A186-I407 HydrophobicContact CB-CG2 4.1Å; A186-I408 WeakPolarHBondContact CA-O 3.25Å; A186-I408 WeakPolarHBondContact CB-O 3.45Å; A186-I408 PolarHBondContact N-O 3.4Å; A186-F409 HydrophobicContact CB-CD1 3.95Å; A186-F409 HydrophobicContact CB-CE1 4.15Å; A186-F409 WeakPolarHBondContact O-CA 3.43Å; A186-S410 PolarHBondContact O-N 3.28Å
187S98.8Very high96.7Very high0 Ų019.8 Ų19.80%012%0.124CC..EExtended strand (participates in β ladder)trans-88128.8-172.81790000112G162 G163 S164 A189 S410 H442 D444G162-S187 PolarHBondContact O-N 3.14Å; G163-S187 CarbonylContact C-O 3.41Å; G163-S187 VanDerWaalsContact CA-O 3.25Å; G163-S187 WeakPolarHBondContact CA-O 3.47Å; S164-S187 PolarHBondContact N-O 3.44Å; S187-A189 PolarHBondContact O-N 3.22Å; S187-A189 VanDerWaalsContact O-N 3.16Å; S187-S410 VanDerWaalsContact CA-OG 3.27Å; S187-S410 WeakPolarHBondContact CA-OG 3.06Å; S187-S410 WeakPolarHBondContact CB-OG 3.36Å; S187-S410 PolarHBondContact OG-OG 2.77Å; S187-H442 VanDerWaalsContact OG-CA 3.28Å; S187-H442 WeakPolarHBondContact OG-CA 3.41Å; S187-H442 WeakPolarHBondContact OG-CB 3Å; S187-D444 WeakPolarHBondContact CB-OD2 3.49Å; S187-D444 PolarHBondContact OG-OD1 3.16Å; S187-D444 PolarHBondContact OG-OD2 3.19Å
188S98.5Very high96.5Very high0 Ų018.6 Ų18.60%012%0.124CC..THydrogen-bonded Turntrans4348.4-173.1-78.80000111.8S164 P190 S410 D415 H441 H442S164-S188 WeakPolarHBondContact CA-O 3.34Å; S188-P190 WeakPolarHBondContact O-CD 3.33Å; S188-S410 WeakPolarHBondContact CA-O 3.47Å; S188-S410 PolarHBondContact N-O 2.94Å; S188-D415 WeakPolarHBondContact CB-OD2 3.2Å; S188-D415 PolarHBondContact OG-OD2 2.97Å; S188-H441 WeakPolarHBondContact CB-ND1 3.48Å; S188-H442 PolarHBondContact OG-N 3.38Å
189A98.2Very high96.4Very high0 Ų021 Ų210%013%0.133CC..  trans-92.7102.6-173.100000111.2G167 M168 A186 S187 V191 S421G167-A189 VanDerWaalsContact C-CB 3.45Å; M168-A189 HydrophobicContact CG-CB 4.29Å; A186-A189 HydrophobicContact CB-CB 3.9Å; S187-A189 PolarHBondContact O-N 3.22Å; S187-A189 VanDerWaalsContact O-N 3.16Å; A189-V191 HydrophobicContact CB-CG1 4.21Å; A189-V191 PolarHBondContact O-N 3.19Å; A189-S421 WeakPolarHBondContact O-CB 3.15Å; A189-S421 PolarHBondContact O-OG 2.86Å; A189-S421 VanDerWaalsContact O-OG 3.05Å
190P97.2Very high96.4Very high3 Ų317.6 Ų17.62%0.01912%0.118CC..  trans-76.858.3-177.433.2-37.7000112.5M168 S188 W192 L193 W417 F420M168-P190 HydrophobicContact CG-CG 4.49Å; M168-P190 HydrophobicContact SD-CG 3.89Å; S188-P190 WeakPolarHBondContact O-CD 3.33Å; P190-W192 PolarHBondContact O-N 3.45Å; P190-L193 HydrophobicContact CB-CB 4.25Å; P190-L193 HydrophobicContact CB-CD2 4.36Å; P190-L193 HydrophobicContact CG-CD2 4.03Å; P190-L193 VanDerWaalsContact O-CB 3.25Å; P190-L193 WeakPolarHBondContact O-CB 3.44Å; P190-L193 WeakPolarHBondContact O-CD2 3.21Å; P190-L193 VanDerWaalsContact O-CG 3.25Å; P190-L193 WeakPolarHBondContact O-CG 3.2Å; P190-L193 PolarHBondContact O-N 3.2Å; P190-W417 HydrophobicContact CB-CB 4.38Å; P190-W417 HydrophobicContact CB-CE3 3.86Å; P190-W417 HydrophobicContact CG-CD2 4.39Å; P190-W417 HydrophobicContact CG-CE3 3.9Å; P190-F420 CarbonylContact C-O 3.2Å; P190-F420 WeakPolarHBondContact CA-O 2.89Å; P190-F420 HydrophobicContact CB-CB 3.67Å
191V96.8Very high96.3Very high10 Ų1016.4 Ų16.46%0.06111%0.113CC..THydrogen-bonded Turntrans-61.2-12.2-176.7-64.90000114.2M168 A171 A189 F409 F420 I422M168-V191 HydrophobicContact CB-CG1 4.24Å; M168-V191 HydrophobicContact CG-CG1 3.99Å; A171-V191 HydrophobicContact CB-CG1 4.39Å; A189-V191 HydrophobicContact CB-CG1 4.21Å; A189-V191 PolarHBondContact O-N 3.19Å; V191-F409 HydrophobicContact CG1-CE1 4.24Å; V191-F409 HydrophobicContact CG2-CE1 4.31Å; V191-F420 PolarHBondContact N-O 2.99Å; V191-I422 HydrophobicContact CG2-CD1 3.94Å; V191-I422 HydrophobicContact CG2-CG1 3.65Å
192W96.5Very high96.1Very high7 Ų717.1 Ų17.13%0.02712%0.12CC..THydrogen-bonded Turntrans-110.124.3174.9-62.3-24.6000113.4P190 F194 L197 S398 K399 V401 F420 S421 I422 Y427P190-W192 PolarHBondContact O-N 3.45Å; W192-F194 PolarHBondContact O-N 2.68Å; W192-L197 HydrophobicContact CB-CB 3.97Å; W192-L197 HydrophobicContact CB-CD1 4.49Å; W192-L197 WeakPolarHBondContact O-CB 3.31Å; W192-S398 PolarHBondContact NE1-O 3.12Å; W192-K399 HydrophobicContact CD2-CD 3.83Å; W192-K399 VanDerWaalsContact CE2-CD 3.5Å; W192-K399 HydrophobicContact CE3-CD 4.24Å; W192-K399 HydrophobicContact CG-CD 4.31Å; W192-K399 HydrophobicContact CH2-CD 3.95Å; W192-K399 HydrophobicContact CZ2-CD 3.58Å; W192-K399 HydrophobicContact CZ3-CD 4.27Å; W192-V401 HydrophobicContact CZ2-CG2 4.22Å; W192-F420 CarbonylContact C-O 3.48Å; W192-F420 VanDerWaalsContact CA-O 3.32Å; W192-F420 WeakPolarHBondContact CA-O 3.43Å; W192-F420 WeakPolarHBondContact CB-O 3.33Å; W192-F420 PolarHBondContact N-O 2.69Å; W192-S421 WeakPolarHBondContact CZ3-O 3.19Å; W192-I422 HydrophobicContact CD2-CG1 4.13Å; W192-I422 HydrophobicContact CE3-CG1 4.27Å; W192-I422 HydrophobicContact CH2-CB 4.29Å; W192-I422 HydrophobicContact CH2-CG1 3.88Å; W192-I422 HydrophobicContact CH2-CG2 4.13Å; W192-I422 HydrophobicContact CZ2-CD1 3.99Å; W192-I422 HydrophobicContact CZ2-CG1 3.64Å; W192-I422 HydrophobicContact CZ3-CB 4.44Å; W192-I422 HydrophobicContact CZ3-CG1 4.18Å; W192-Y427 HydrophobicContact CH2-CD1 4.14Å; W192-Y427 AromaticContact CH2-CD2 3.49Å; W192-Y427 HydrophobicContact CH2-CD2 3.49Å; W192-Y427 VanDerWaalsContact CH2-CD2 3.49Å; W192-Y427 AromaticContact CH2-CE2 3.95Å; W192-Y427 HydrophobicContact CH2-CE2 3.95Å; W192-Y427 AromaticContact CH2-CG 3.59Å; W192-Y427 HydrophobicContact CH2-CG 3.59Å; W192-Y427 HydrophobicContact CZ2-CG 4.36Å; W192-Y427 HydrophobicContact CZ3-CD2 4.04Å; W192-Y427 HydrophobicContact CZ3-CE2 4.13Å
193L94.4Very high96Very high5 Ų517 Ų173%0.02612%0.119CC..  trans-65.6-13.1175.56775.2000114.7M168 P190 T354 P355 F420M168-L193 HydrophobicContact CE-CD2 3.38Å; M168-L193 HydrophobicContact CE-CG 3.84Å; M168-L193 HydrophobicContact SD-CD2 3.67Å; P190-L193 HydrophobicContact CB-CB 4.25Å; P190-L193 HydrophobicContact CB-CD2 4.36Å; P190-L193 HydrophobicContact CG-CD2 4.03Å; P190-L193 VanDerWaalsContact O-CB 3.25Å; P190-L193 WeakPolarHBondContact O-CB 3.44Å; P190-L193 WeakPolarHBondContact O-CD2 3.21Å; P190-L193 VanDerWaalsContact O-CG 3.25Å; P190-L193 WeakPolarHBondContact O-CG 3.2Å; P190-L193 PolarHBondContact O-N 3.2Å; L193-T354 HydrophobicContact CB-CG2 4.13Å; L193-T354 WeakPolarHBondContact CD1-OG1 3.11Å; L193-P355 WeakPolarHBondContact O-CD 3.48Å; L193-F420 HydrophobicContact CB-CB 4.18Å; L193-F420 HydrophobicContact CB-CD2 4.18Å; L193-F420 HydrophobicContact CB-CG 4.45Å
194F94.6Very high95.8Very high3 Ų317 Ų171%0.01312%0.119CC..SBendtrans-78.2158.9-171-51.2-74.2000113M168 W172 W192 G196 L197 E351 M352 P392 F396M168-F194 HydrophobicContact CE-CE2 4.21Å; M168-F194 HydrophobicContact CE-CZ 3.92Å; W172-F194 HydrophobicContact CH2-CZ 4.02Å; W172-F194 HydrophobicContact CZ2-CE2 4.09Å; W172-F194 AromaticContact CZ2-CZ 3.94Å; W172-F194 HydrophobicContact CZ2-CZ 3.94Å; W192-F194 PolarHBondContact O-N 2.68Å; F194-G196 PolarHBondContact O-N 2.81Å; F194-L197 HydrophobicContact CB-CD1 3.76Å; F194-L197 HydrophobicContact CB-CG 4.24Å; F194-L197 HydrophobicContact CD2-CD1 3.83Å; F194-L197 HydrophobicContact CG-CD1 4.3Å; F194-L197 WeakPolarHBondContact O-CB 3.41Å; F194-L197 PolarHBondContact O-N 3.07Å; F194-L197 VanDerWaalsContact O-N 3.12Å; F194-E351 VanDerWaalsContact CE1-O 3.3Å; F194-E351 WeakPolarHBondContact CE1-O 3.35Å; F194-M352 HydrophobicContact CE1-SD 3.92Å; F194-M352 HydrophobicContact CZ-SD 4.03Å; F194-P392 HydrophobicContact CB-CB 4.18Å; F194-P392 HydrophobicContact CD1-CB 3.42Å; F194-P392 VanDerWaalsContact CD1-CB 3.42Å; F194-P392 HydrophobicContact CD1-CG 3.31Å; F194-P392 HydrophobicContact CD2-CB 3.59Å; F194-P392 HydrophobicContact CD2-CG 4.42Å; F194-P392 HydrophobicContact CE1-CB 3.54Å; F194-P392 HydrophobicContact CE1-CG 3.41Å; F194-P392 VanDerWaalsContact CE1-CG 3.41Å; F194-P392 HydrophobicContact CE2-CB 3.72Å; F194-P392 HydrophobicContact CG-CB 3.44Å; F194-P392 VanDerWaalsContact CG-CB 3.44Å; F194-P392 HydrophobicContact CG-CG 3.86Å; F194-P392 HydrophobicContact CZ-CB 3.69Å; F194-P392 HydrophobicContact CZ-CG 4.04Å; F194-F396 HydrophobicContact CE2-CD2 4.25Å; F194-F396 AromaticContact CZ-CD2 3.89Å; F194-F396 HydrophobicContact CZ-CD2 3.89Å; F194-F396 HydrophobicContact CZ-CE2 4.42Å
195P92.6Very high95.7Very high20 Ų2019.4 Ų19.413%0.1313%0.131CC..THydrogen-bonded Turntrans-56.6128.3-176.3-23.733.8000114.7L197 V353 P355 V389P195-L197 VanDerWaalsContact C-N 3.33Å; P195-V353 WeakPolarHBondContact CD-O 3.05Å; P195-V353 HydrophobicContact CG-CB 4.31Å; P195-V353 HydrophobicContact CG-CG1 4Å; P195-P355 HydrophobicContact CB-CG 3.86Å; P195-P355 HydrophobicContact CG-CG 3.64Å; P195-V389 HydrophobicContact CG-CB 4.12Å; P195-V389 HydrophobicContact CG-CG1 4.04Å
196G91.8Very high95.6Very high80 Ų8020.4 Ų20.483%0.82514%0.137SC*.THydrogen-bonded Turntrans80.74.717900000115.1F194F194-G196 PolarHBondContact O-N 2.81Å
197L94.2Very high95.5Very high23 Ų2320.4 Ų20.412%0.1214%0.137CC..THydrogen-bonded Turntrans-95.8-28.6178.7-56.6-172.5000113.8W192 F194 P195 S398 K399W192-L197 HydrophobicContact CB-CB 3.97Å; W192-L197 HydrophobicContact CB-CD1 4.49Å; W192-L197 WeakPolarHBondContact O-CB 3.31Å; F194-L197 HydrophobicContact CB-CD1 3.76Å; F194-L197 HydrophobicContact CB-CG 4.24Å; F194-L197 HydrophobicContact CD2-CD1 3.83Å; F194-L197 HydrophobicContact CG-CD1 4.3Å; F194-L197 WeakPolarHBondContact O-CB 3.41Å; F194-L197 PolarHBondContact O-N 3.07Å; F194-L197 VanDerWaalsContact O-N 3.12Å; P195-L197 VanDerWaalsContact C-N 3.33Å; L197-S398 VanDerWaalsContact CD1-OG 3.26Å; L197-S398 WeakPolarHBondContact CD1-OG 3.17Å; L197-K399 HydrophobicContact CD2-CG 4.21Å; L197-K399 WeakPolarHBondContact O-CE 3.33Å; L197-K399 PolarHBondContact O-NZ 3.27Å
198S94Very high95.4Very high35 Ų3520.5 Ų20.525%0.24514%0.138CC..SBendtrans-138.7162.3176.5-78.60000111.3C200 A419S198-C200 PolarHBondContact O-N 2.92Å; S198-A419 PolarHBondContact OG-O 3.49Å
199D94Very high95.3Very high107 Ų10724.7 Ų24.757%0.57216%0.16SC*.  trans-67.8120.5172.9176.77.9000110N201 G202 F420D199-N201 PolarHBondContact O-N 3.01Å; D199-N201 VanDerWaalsContact O-N 3.1Å; D199-N201 WeakPolarHBondContact OD1-CB 3.49Å; D199-N201 PolarHBondContact OD1-N 2.79Å; D199-G202 PolarHBondContact O-N 3.11Å; D199-F420 WeakPolarHBondContact O-CE1 3.36Å
200C93.5Very high95.3Very high34 Ų3424.7 Ų24.723%0.2316%0.16CC..THydrogen-bonded Turntrans-59.3-24.7-179.666.10000113.3S198 G202 P355 T356 C357S198-C200 PolarHBondContact O-N 2.92Å; C200-G202 VanDerWaalsContact C-N 3.28Å; C200-P355 WeakPolarHBondContact CA-O 3.3Å; C200-P355 HydrophobicContact CB-CB 4.27Å; C200-P355 WeakPolarHBondContact CB-O 3.43Å; C200-T356 WeakPolarHBondContact O-CA 3.46Å; C200-C357 HydrophobicContact CB-CB 3.91Å; C200-C357 WeakPolarHBondContact CB-SG 3.33Å; C200-C357 PolarHBondContact O-N 3.28Å; C200-C357 WeakPolarHBondContact SG-CB 3.39Å; C200-C357 CovalentContact SG-SG 2.05Å; C200-C357 PolarHBondContact SG-SG 3.27Å
201N94.8Very high95.3Very high16 Ų1624.6 Ų24.69%0.08616%0.159CC..THydrogen-bonded Turntrans-80.1-13.3-179.7-169.555.5000112.3D199 F203 S204 M205 C357 A358 S359 N363D199-N201 PolarHBondContact O-N 3.01Å; D199-N201 VanDerWaalsContact O-N 3.1Å; D199-N201 WeakPolarHBondContact OD1-CB 3.49Å; D199-N201 PolarHBondContact OD1-N 2.79Å; N201-F203 PolarHBondContact O-N 2.91Å; N201-S204 PolarHBondContact O-N 3.25Å; N201-M205 WeakPolarHBondContact ND2-CG 3.31Å; N201-M205 WeakPolarHBondContact O-CB 3.48Å; N201-M205 WeakPolarHBondContact O-CG 3.42Å; N201-M205 PolarHBondContact O-N 2.99Å; N201-C357 PolarHBondContact N-SG 3.45Å; N201-A358 WeakPolarHBondContact OD1-CA 3.43Å; N201-S359 VanDerWaalsContact CG-OG 3.23Å; N201-S359 PolarHBondContact ND2-OG 3.3Å; N201-S359 PolarHBondContact OD1-N 3.23Å; N201-S359 PolarHBondContact OD1-OG 3.4Å; N201-N363 PolarHBondContact OD1-ND2 3.15Å
202G95.1Very high95.3Very high14 Ų1427.5 Ų27.514%0.14417%0.174CC..Hα-helixtrans-57.7-43.3-175.100000113.4D199 C200 M205 T206 A419D199-G202 PolarHBondContact O-N 3.11Å; C200-G202 VanDerWaalsContact C-N 3.28Å; G202-M205 PolarHBondContact O-N 3.22Å; G202-T206 PolarHBondContact O-N 3.49Å; G202-T206 PolarHBondContact O-OG1 3.44Å; G202-T206 VanDerWaalsContact O-OG1 3.05Å; G202-A419 VanDerWaalsContact C-CB 3.43Å
203F94.6Very high95.3Very high0 Ų032.7 Ų32.70%020%0.197CC..Hα-helixtrans-59-53.3177.9-176.7-90000112L13 N201 M205 T206 I207 T356 P416 W417 F420L13-F203 HydrophobicContact CB-CE1 4.37Å; N201-F203 PolarHBondContact O-N 2.91Å; F203-M205 VanDerWaalsContact C-N 3.33Å; F203-M205 PolarHBondContact O-N 3.27Å; F203-T206 PolarHBondContact O-N 2.75Å; F203-I207 HydrophobicContact CD1-CD1 3.75Å; F203-I207 HydrophobicContact CE1-CD1 3.35Å; F203-I207 HydrophobicContact CE1-CG1 4.37Å; F203-I207 HydrophobicContact CZ-CD1 4.06Å; F203-I207 WeakPolarHBondContact O-CG1 3.3Å; F203-I207 PolarHBondContact O-N 2.99Å; F203-I207 VanDerWaalsContact O-N 3.07Å; F203-T356 HydrophobicContact CB-CG2 4.43Å; F203-P416 HydrophobicContact CD1-CB 4.39Å; F203-P416 HydrophobicContact CD2-CB 3.47Å; F203-P416 VanDerWaalsContact CD2-CB 3.47Å; F203-P416 HydrophobicContact CE1-CB 4.31Å; F203-P416 HydrophobicContact CE2-CB 3.36Å; F203-P416 HydrophobicContact CE2-CG 4.44Å; F203-P416 HydrophobicContact CG-CB 4.01Å; F203-P416 HydrophobicContact CZ-CB 3.8Å; F203-W417 HydrophobicContact CD2-CD2 4.21Å; F203-W417 HydrophobicContact CD2-CE3 4.28Å; F203-W417 HydrophobicContact CD2-CZ3 4.48Å; F203-W417 AromaticContact CE2-CD2 3.84Å; F203-W417 HydrophobicContact CE2-CD2 3.84Å; F203-W417 AromaticContact CE2-CE2 3.57Å; F203-W417 HydrophobicContact CE2-CE3 4.28Å; F203-W417 HydrophobicContact CE2-CG 4.27Å; F203-W417 HydrophobicContact CE2-CH2 4.23Å; F203-W417 AromaticContact CE2-CZ2 3.78Å; F203-W417 HydrophobicContact CE2-CZ2 3.78Å; F203-W417 HydrophobicContact CE2-CZ3 4.47Å; F203-W417 AromaticContact CE2-NE1 3.87Å; F203-W417 HydrophobicContact CZ-CZ2 4.39Å; F203-F420 HydrophobicContact CB-CE1 4.48Å; F203-F420 HydrophobicContact CB-CE2 3.96Å; F203-F420 HydrophobicContact CB-CZ 3.69Å; F203-F420 HydrophobicContact CD2-CE2 4.34Å
204S95.8Very high95.5Very high0 Ų034.2 Ų34.20%020%0.203CC..Hα-helixtrans-63.9-36.4-179.7-56.10000112.6N201 I207 T208 C357 N363N201-S204 PolarHBondContact O-N 3.25Å; S204-I207 PolarHBondContact O-N 3.47Å; S204-T208 PolarHBondContact O-N 3.26Å; S204-T208 PolarHBondContact O-OG1 2.67Å; S204-C357 WeakPolarHBondContact CB-O 3.41Å; S204-C357 PolarHBondContact OG-O 2.92Å; S204-N363 VanDerWaalsContact C-OD1 3.22Å; S204-N363 WeakPolarHBondContact CB-OD1 3.2Å; S204-N363 PolarHBondContact O-OD1 2.74Å
205M96.1Very high95.6Very high50 Ų5034.9 Ų34.925%0.24621%0.21CC..Hα-helixtrans-69.1-39.1175.9-75.9-60.4-52.700112.4N201 G202 F203 T208 N209 V362 N363N201-M205 WeakPolarHBondContact ND2-CG 3.31Å; N201-M205 WeakPolarHBondContact O-CB 3.48Å; N201-M205 WeakPolarHBondContact O-CG 3.42Å; N201-M205 PolarHBondContact O-N 2.99Å; G202-M205 PolarHBondContact O-N 3.22Å; F203-M205 VanDerWaalsContact C-N 3.33Å; F203-M205 PolarHBondContact O-N 3.27Å; M205-T208 WeakPolarHBondContact O-CB 3.37Å; M205-T208 PolarHBondContact O-N 3.31Å; M205-N209 WeakPolarHBondContact O-CB 3.11Å; M205-N209 PolarHBondContact O-N 3.41Å; M205-N209 PolarHBondContact O-ND2 3.32Å; M205-V362 HydrophobicContact CE-CG2 4.46Å; M205-V362 HydrophobicContact SD-CG2 3.74Å; M205-N363 PolarHBondContact N-OD1 3.01Å
206T96.3Very high95.7Very high21 Ų2135.4 Ų35.413%0.12922%0.219CC..Hα-helixtrans-66.1-39.1175.7-60.50000111.4G202 F203 T208 N209 S210 D415G202-T206 PolarHBondContact O-N 3.49Å; G202-T206 PolarHBondContact O-OG1 3.44Å; G202-T206 VanDerWaalsContact O-OG1 3.05Å; F203-T206 PolarHBondContact O-N 2.75Å; T206-T208 VanDerWaalsContact C-N 3.35Å; T206-T208 PolarHBondContact O-N 3.39Å; T206-N209 PolarHBondContact O-N 3.06Å; T206-S210 WeakPolarHBondContact O-CB 3.43Å; T206-S210 PolarHBondContact O-N 2.88Å; T206-D415 WeakPolarHBondContact CG2-O 3.34Å
207I96.9Very high96Very high0 Ų037.5 Ų37.50%021%0.207CC..Hα-helixtrans-56.6-52169.4-66.1173000109.7F203 S204 N209 S210 F211 I364 M365 P416F203-I207 HydrophobicContact CD1-CD1 3.75Å; F203-I207 HydrophobicContact CE1-CD1 3.35Å; F203-I207 HydrophobicContact CE1-CG1 4.37Å; F203-I207 HydrophobicContact CZ-CD1 4.06Å; F203-I207 WeakPolarHBondContact O-CG1 3.3Å; F203-I207 PolarHBondContact O-N 2.99Å; F203-I207 VanDerWaalsContact O-N 3.07Å; S204-I207 PolarHBondContact O-N 3.47Å; I207-N209 VanDerWaalsContact C-N 3.3Å; I207-N209 PolarHBondContact O-N 3.16Å; I207-S210 WeakPolarHBondContact O-CB 3.16Å; I207-S210 PolarHBondContact O-N 3.07Å; I207-S210 VanDerWaalsContact O-N 3.1Å; I207-F211 HydrophobicContact CG2-CD2 3.79Å; I207-F211 HydrophobicContact CG2-CE2 3.77Å; I207-F211 WeakPolarHBondContact O-CD2 3.23Å; I207-F211 PolarHBondContact O-N 3.48Å; I207-I364 HydrophobicContact CG2-CG2 3.7Å; I207-M365 HydrophobicContact CD1-CE 3.6Å; I207-M365 HydrophobicContact CD1-CG 4.33Å; I207-M365 HydrophobicContact CD1-SD 4Å; I207-M365 HydrophobicContact CG2-SD 4.1Å; I207-P416 HydrophobicContact CD1-CB 4.38Å; I207-P416 HydrophobicContact CD1-CG 4.23Å; I207-P416 HydrophobicContact CG1-CB 3.82Å; I207-P416 HydrophobicContact CG1-CG 3.42Å; I207-P416 VanDerWaalsContact CG1-CG 3.42Å
208T97.2Very high96.1Very high3 Ų339.2 Ų39.22%0.01822%0.217CC..Hα-helixtrans-55.5-45.3179.8-570000111.7S204 M205 T206 S210 F211 L212 V362 N363 I364S204-T208 PolarHBondContact O-N 3.26Å; S204-T208 PolarHBondContact O-OG1 2.67Å; M205-T208 WeakPolarHBondContact O-CB 3.37Å; M205-T208 PolarHBondContact O-N 3.31Å; T206-T208 VanDerWaalsContact C-N 3.35Å; T206-T208 PolarHBondContact O-N 3.39Å; T208-S210 PolarHBondContact O-N 3.25Å; T208-F211 PolarHBondContact O-N 3.47Å; T208-L212 HydrophobicContact CG2-CD1 4.2Å; T208-L212 WeakPolarHBondContact O-CG 3.37Å; T208-L212 PolarHBondContact O-N 3.38Å; T208-V362 WeakPolarHBondContact CG2-O 3.44Å; T208-N363 WeakPolarHBondContact OG1-CA 3.02Å; T208-I364 PolarHBondContact OG1-N 2.96Å
209N96.9Very high96.2Very high87 Ų8737.6 Ų37.647%0.46521%0.205SC..Hα-helixtrans-64.8-38.6178.3-69.8-23000112.4M205 T206 I207 L212 K213M205-N209 WeakPolarHBondContact O-CB 3.11Å; M205-N209 PolarHBondContact O-N 3.41Å; M205-N209 PolarHBondContact O-ND2 3.32Å; T206-N209 PolarHBondContact O-N 3.06Å; I207-N209 VanDerWaalsContact C-N 3.3Å; I207-N209 PolarHBondContact O-N 3.16Å; N209-L212 PolarHBondContact O-N 2.95Å; N209-K213 WeakPolarHBondContact O-CB 3.11Å; N209-K213 PolarHBondContact O-N 2.89Å
210S97Very high96.4Very high1 Ų132.8 Ų32.81%0.00718%0.18CC..Hα-helixtrans-60.9-47.8173.4-173.40000111T206 I207 T208 L212 K213 Y214T206-S210 WeakPolarHBondContact O-CB 3.43Å; T206-S210 PolarHBondContact O-N 2.88Å; I207-S210 WeakPolarHBondContact O-CB 3.16Å; I207-S210 PolarHBondContact O-N 3.07Å; I207-S210 VanDerWaalsContact O-N 3.1Å; T208-S210 PolarHBondContact O-N 3.25Å; S210-L212 PolarHBondContact O-N 3.31Å; S210-K213 PolarHBondContact O-N 3.17Å; S210-Y214 WeakPolarHBondContact O-CD2 3.47Å; S210-Y214 PolarHBondContact O-N 3.47Å
211F97.7Very high96.4Very high0 Ų034.7 Ų34.70%018%0.184CC..Hα-helixtrans-65.4-38.5176.3-84.2-103.9000113.3I207 T208 G215 G216 V220 I223 L267 I270 V290 L293 I364I207-F211 HydrophobicContact CG2-CD2 3.79Å; I207-F211 HydrophobicContact CG2-CE2 3.77Å; I207-F211 WeakPolarHBondContact O-CD2 3.23Å; I207-F211 PolarHBondContact O-N 3.48Å; T208-F211 PolarHBondContact O-N 3.47Å; F211-G215 CarbonylContact O-C 3.54Å; F211-G215 WeakPolarHBondContact O-CA 3.36Å; F211-G215 PolarHBondContact O-N 2.95Å; F211-G216 PolarHBondContact O-N 2.95Å; F211-V220 HydrophobicContact CB-CG2 3.85Å; F211-I223 HydrophobicContact CD1-CD1 3.85Å; F211-I223 HydrophobicContact CE1-CD1 3.72Å; F211-L267 HydrophobicContact CE1-CD2 3.75Å; F211-L267 HydrophobicContact CE2-CD2 4.5Å; F211-L267 HydrophobicContact CZ-CB 4.31Å; F211-L267 HydrophobicContact CZ-CD2 3.48Å; F211-L267 VanDerWaalsContact CZ-CD2 3.48Å; F211-L267 HydrophobicContact CZ-CG 4.46Å; F211-I270 HydrophobicContact CE1-CD1 4.31Å; F211-I270 HydrophobicContact CE2-CG1 4.5Å; F211-I270 HydrophobicContact CZ-CD1 3.74Å; F211-I270 HydrophobicContact CZ-CG1 3.96Å; F211-V290 HydrophobicContact CB-CG1 4.34Å; F211-V290 HydrophobicContact CD1-CG1 3.8Å; F211-V290 HydrophobicContact CD2-CG1 4Å; F211-V290 HydrophobicContact CD2-CG2 4.38Å; F211-V290 HydrophobicContact CE1-CG1 4.08Å; F211-V290 HydrophobicContact CE2-CG1 4.28Å; F211-V290 HydrophobicContact CE2-CG2 4.05Å; F211-V290 HydrophobicContact CG-CG1 3.78Å; F211-V290 HydrophobicContact CZ-CG1 4.33Å; F211-V290 HydrophobicContact CZ-CG2 4.26Å; F211-L293 HydrophobicContact CE1-CD2 4.43Å; F211-I364 HydrophobicContact CB-CD1 3.71Å; F211-I364 HydrophobicContact CD1-CD1 3.53Å; F211-I364 HydrophobicContact CD2-CD1 4.26Å; F211-I364 HydrophobicContact CE1-CD1 4.16Å; F211-I364 HydrophobicContact CG-CD1 3.57Å
212L97Very high96.5Very high72 Ų7234.5 Ų34.538%0.37718%0.183SC..Hα-helixtrans-60.4-46.2173.1-76.9171.2000111.1T208 N209 S210 G216 E217 V220T208-L212 HydrophobicContact CG2-CD1 4.2Å; T208-L212 WeakPolarHBondContact O-CG 3.37Å; T208-L212 PolarHBondContact O-N 3.38Å; N209-L212 PolarHBondContact O-N 2.95Å; S210-L212 PolarHBondContact O-N 3.31Å; L212-G216 WeakPolarHBondContact O-CA 3.26Å; L212-G216 PolarHBondContact O-N 2.78Å; L212-E217 HydrophobicContact CD2-CG 4.45Å; L212-V220 HydrophobicContact CD2-CB 4.01Å; L212-V220 HydrophobicContact CD2-CG1 4.16Å; L212-V220 HydrophobicContact CD2-CG2 3.67Å; L212-V220 HydrophobicContact CG-CG2 3.86Å
213K97.2Very high96.5Very high116 Ų11633.8 Ų33.850%0.50418%0.176SC..Hα-helixtrans-66.8-44.6-177.7-174.6173.4-173.3179.20112.8N209 S210 D438N209-K213 WeakPolarHBondContact O-CB 3.11Å; N209-K213 PolarHBondContact O-N 2.89Å; S210-K213 PolarHBondContact O-N 3.17Å; K213-D438 WeakPolarHBondContact CE-OD1 3.41Å; K213-D438 IonicContact NZ-OD1 3.68Å; K213-D438 PolarHBondContact NZ-OD1 3.02Å; K213-D438 IonicContact NZ-OD2 2.9Å
214Y97.3Very high96.5Very high37 Ų3736.3 Ų36.315%0.14519%0.188CC..Hα-helixtrans-100.8-24-171.3-72.7-85.7000114.5S210 W288 I414 D438S210-Y214 WeakPolarHBondContact O-CD2 3.47Å; S210-Y214 PolarHBondContact O-N 3.47Å; Y214-W288 HydrophobicContact CD1-CD2 4.24Å; Y214-W288 AromaticContact CD1-CE3 3.82Å; Y214-W288 HydrophobicContact CD1-CE3 3.82Å; Y214-W288 HydrophobicContact CD1-CZ3 4.2Å; Y214-W288 AromaticContact CE1-CD2 3.85Å; Y214-W288 HydrophobicContact CE1-CD2 3.85Å; Y214-W288 AromaticContact CE1-CE3 3.36Å; Y214-W288 HydrophobicContact CE1-CE3 3.36Å; Y214-W288 AromaticContact CE1-CH2 3.73Å; Y214-W288 HydrophobicContact CE1-CH2 3.73Å; Y214-W288 HydrophobicContact CE1-CZ2 4.16Å; Y214-W288 AromaticContact CE1-CZ3 3.31Å; Y214-W288 HydrophobicContact CE1-CZ3 3.31Å; Y214-W288 HydrophobicContact CE2-CZ3 4.33Å; Y214-W288 AromaticContact CZ-CE3 3.91Å; Y214-W288 AromaticContact CZ-CH2 3.81Å; Y214-W288 AromaticContact CZ-CZ3 3.4Å; Y214-W288 VanDerWaalsContact CZ-CZ3 3.4Å; Y214-W288 VanDerWaalsContact OH-CH2 3.23Å; Y214-W288 WeakPolarHBondContact OH-CH2 3.43Å; Y214-W288 VanDerWaalsContact OH-CZ3 3.25Å; Y214-W288 WeakPolarHBondContact OH-CZ3 3.39Å; Y214-I414 HydrophobicContact CE2-CD1 3.85Å; Y214-I414 HydrophobicContact CE2-CG2 3.93Å; Y214-D438 WeakPolarHBondContact OH-CB 3.42Å; Y214-D438 VanDerWaalsContact OH-CG 3.25Å; Y214-D438 PolarHBondContact OH-OD1 2.97Å
215G96.6Very high96.4Very high17 Ų1739.1 Ų39.118%0.17520%0.203CC..Hα-helixtrans-107.7-23.2-177.200000115.2F211 C219 C294F211-G215 CarbonylContact O-C 3.54Å; F211-G215 WeakPolarHBondContact O-CA 3.36Å; F211-G215 PolarHBondContact O-N 2.95Å; G215-C219 WeakPolarHBondContact O-CB 3.2Å; G215-C294 VanDerWaalsContact CA-CB 3.43Å; G215-C294 WeakPolarHBondContact CA-SG 3.4Å
216G96.6Very high96.3Very high30 Ų3036.8 Ų36.831%0.30919%0.191SC..Hα-helixtrans80.3167.2-177.200000114F211 L212 N218 C219 V220F211-G216 PolarHBondContact O-N 2.95Å; L212-G216 WeakPolarHBondContact O-CA 3.26Å; L212-G216 PolarHBondContact O-N 2.78Å; G216-N218 VanDerWaalsContact C-N 3.3Å; G216-N218 PolarHBondContact O-N 2.89Å; G216-C219 PolarHBondContact O-N 3.46Å; G216-V220 PolarHBondContact O-N 3.13Å
217E96.3Very high96.2Very high124 Ų12436.2 Ų36.258%0.57919%0.187SC*.Hα-helixtrans-59.4-36.7-173.6-67.9-171.9-167.700114.1L212 V220 K221L212-E217 HydrophobicContact CD2-CG 4.45Å; E217-V220 PolarHBondContact O-N 3.41Å; E217-K221 WeakPolarHBondContact O-CG 3.35Å; E217-K221 PolarHBondContact O-N 2.81Å; E217-K221 IonicContact OE2-NZ 3.58Å; E217-K221 PolarHBondContact OE2-NZ 3.46Å
218N96.6Very high96.1Very high60 Ų6038.9 Ų38.932%0.32121%0.205SC..Hα-helixtrans-66.3-39.7-178.6-71.2-15.2000111.5G216 V220 K221 N222 L297 S298G216-N218 VanDerWaalsContact C-N 3.3Å; G216-N218 PolarHBondContact O-N 2.89Å; N218-V220 VanDerWaalsContact C-N 3.33Å; N218-V220 PolarHBondContact O-N 2.95Å; N218-K221 PolarHBondContact O-N 2.87Å; N218-N222 WeakPolarHBondContact O-CB 3.34Å; N218-N222 PolarHBondContact O-N 3.16Å; N218-N222 PolarHBondContact O-ND2 3Å; N218-N222 VanDerWaalsContact O-ND2 3.12Å; N218-L297 CarbonylContact C-O 3.57Å; N218-S298 VanDerWaalsContact CB-O 3.24Å; N218-S298 WeakPolarHBondContact CB-O 3.31Å; N218-S298 PolarHBondContact ND2-O 2.65Å
219C97.1Very high95.9Very high0 Ų039.4 Ų39.40%021%0.208CC..Hα-helixtrans-61.1-45.6175.2-173.40000110.8G215 G216 N222 I223 C294 L297G215-C219 WeakPolarHBondContact O-CB 3.2Å; G216-C219 PolarHBondContact O-N 3.46Å; C219-N222 PolarHBondContact O-N 3.49Å; C219-I223 WeakPolarHBondContact O-CG1 3.05Å; C219-I223 PolarHBondContact O-N 2.86Å; C219-C294 HydrophobicContact CB-CB 3.56Å; C219-C294 WeakPolarHBondContact CB-SG 3.41Å; C219-C294 WeakPolarHBondContact SG-CA 3.33Å; C219-C294 WeakPolarHBondContact SG-CB 3.32Å; C219-C294 CovalentContact SG-SG 2.03Å; C219-C294 PolarHBondContact SG-SG 2.88Å; C219-L297 WeakPolarHBondContact CA-O 3.47Å; C219-L297 HydrophobicContact CB-CB 4.23Å; C219-L297 PolarHBondContact N-O 3.39Å
220V96.7Very high95.9Very high6 Ų635.2 Ų35.24%0.03619%0.186CC..Hα-helixtrans-62.2-47.2178.4174.60000111.6F211 L212 G216 E217 N218 N222 I223 Q224 I364F211-V220 HydrophobicContact CB-CG2 3.85Å; L212-V220 HydrophobicContact CD2-CB 4.01Å; L212-V220 HydrophobicContact CD2-CG1 4.16Å; L212-V220 HydrophobicContact CD2-CG2 3.67Å; L212-V220 HydrophobicContact CG-CG2 3.86Å; G216-V220 PolarHBondContact O-N 3.13Å; E217-V220 PolarHBondContact O-N 3.41Å; N218-V220 VanDerWaalsContact C-N 3.33Å; N218-V220 PolarHBondContact O-N 2.95Å; V220-N222 PolarHBondContact O-N 3.06Å; V220-I223 PolarHBondContact O-N 3.06Å; V220-Q224 HydrophobicContact CG1-CG 4.23Å; V220-Q224 WeakPolarHBondContact O-CB 3.46Å; V220-Q224 VanDerWaalsContact O-CG 3.25Å; V220-Q224 WeakPolarHBondContact O-CG 3.47Å; V220-Q224 PolarHBondContact O-N 3.14Å; V220-I364 HydrophobicContact CG2-CD1 4.18Å
221K95Very high95.9Very high74 Ų7436.8 Ų36.832%0.32220%0.195SC..Hα-helixtrans-60.2-43.9177.1-72.4168.3-169.9159.50112E217 N218 I223 Q224 L225 Y300E217-K221 WeakPolarHBondContact O-CG 3.35Å; E217-K221 PolarHBondContact O-N 2.81Å; E217-K221 IonicContact OE2-NZ 3.58Å; E217-K221 PolarHBondContact OE2-NZ 3.46Å; N218-K221 PolarHBondContact O-N 2.87Å; K221-I223 PolarHBondContact O-N 3.34Å; K221-Q224 PolarHBondContact O-N 3.18Å; K221-L225 WeakPolarHBondContact O-CG 3.23Å; K221-L225 PolarHBondContact O-N 3.38Å; K221-L225 VanDerWaalsContact O-N 3.11Å; K221-Y300 HydrophobicContact CB-CD2 4.28Å; K221-Y300 HydrophobicContact CB-CG 4.31Å; K221-Y300 HydrophobicContact CD-CD1 4.26Å
222N95.6Very high95.7Very high12 Ų1240.9 Ų40.96%0.06422%0.217CC..Hα-helixtrans-59.5-44.6177.2-84.6-44.1000111.9N218 C219 V220 S226 L297 E299 Y300N218-N222 WeakPolarHBondContact O-CB 3.34Å; N218-N222 PolarHBondContact O-N 3.16Å; N218-N222 PolarHBondContact O-ND2 3Å; N218-N222 VanDerWaalsContact O-ND2 3.12Å; C219-N222 PolarHBondContact O-N 3.49Å; V220-N222 PolarHBondContact O-N 3.06Å; N222-S226 PolarHBondContact O-N 3.26Å; N222-L297 HydrophobicContact CB-CB 4.31Å; N222-L297 HydrophobicContact CB-CD2 4.28Å; N222-L297 PolarHBondContact ND2-O 2.9Å; N222-L297 VanDerWaalsContact ND2-O 3.08Å; N222-E299 PolarHBondContact ND2-O 3.31Å; N222-Y300 WeakPolarHBondContact OD1-CD2 3.44Å
223I96Very high95.7Very high0 Ų038.5 Ų38.50%020%0.204CC..Hα-helixtrans-71.4-43.9179.9-63.5165.6000111F211 C219 V220 K221 L225 S226 W227 L267 L293 L297 L313 I364F211-I223 HydrophobicContact CD1-CD1 3.85Å; F211-I223 HydrophobicContact CE1-CD1 3.72Å; C219-I223 WeakPolarHBondContact O-CG1 3.05Å; C219-I223 PolarHBondContact O-N 2.86Å; V220-I223 PolarHBondContact O-N 3.06Å; K221-I223 PolarHBondContact O-N 3.34Å; I223-L225 VanDerWaalsContact C-N 3.31Å; I223-L225 PolarHBondContact O-N 3.35Å; I223-S226 VanDerWaalsContact O-CB 3.27Å; I223-S226 WeakPolarHBondContact O-CB 3.37Å; I223-S226 PolarHBondContact O-N 2.87Å; I223-S226 PolarHBondContact O-OG 2.93Å; I223-W227 HydrophobicContact CG2-CZ2 3.92Å; I223-L267 HydrophobicContact CD1-CD2 4.16Å; I223-L267 HydrophobicContact CG2-CD1 3.67Å; I223-L293 HydrophobicContact CD1-CD2 4.1Å; I223-L297 HydrophobicContact CD1-CD1 4.03Å; I223-L297 HydrophobicContact CG1-CD1 3.77Å; I223-L313 HydrophobicContact CG1-CD1 4.29Å; I223-I364 HydrophobicContact CB-CD1 3.78Å; I223-I364 HydrophobicContact CB-CG1 3.62Å; I223-I364 HydrophobicContact CD1-CD1 3.5Å; I223-I364 HydrophobicContact CD1-CG1 4.31Å; I223-I364 HydrophobicContact CG1-CD1 4.21Å; I223-I364 HydrophobicContact CG2-CD1 3.88Å; I223-I364 HydrophobicContact CG2-CG1 3.41Å; I223-I364 VanDerWaalsContact CG2-CG1 3.41Å
224Q94.8Very high95.7Very high52 Ų5233 Ų3324%0.24318%0.181CC..Hα-helixtrans-55.8-44178.1-77.7176.2-29.900113.1V220 K221 S226 P361 V362 N363V220-Q224 HydrophobicContact CG1-CG 4.23Å; V220-Q224 WeakPolarHBondContact O-CB 3.46Å; V220-Q224 VanDerWaalsContact O-CG 3.25Å; V220-Q224 WeakPolarHBondContact O-CG 3.47Å; V220-Q224 PolarHBondContact O-N 3.14Å; K221-Q224 PolarHBondContact O-N 3.18Å; Q224-S226 VanDerWaalsContact C-N 3.28Å; Q224-S226 PolarHBondContact O-N 3.37Å; Q224-P361 PolarHBondContact NE2-O 3.12Å; Q224-V362 VanDerWaalsContact NE2-C 3.31Å; Q224-V362 PolarHBondContact NE2-O 2.93Å; Q224-N363 WeakPolarHBondContact CG-O 3.43Å; Q224-N363 PolarHBondContact NE2-O 2.9Å; Q224-N363 VanDerWaalsContact NE2-O 3.15Å
225L92.7Very high95.6Very high60 Ų6037.6 Ų37.631%0.31420%0.204SC..Hα-helixtrans-75.2-19.1178.7-68.1168.4000112.7K221 I223 W227 S228 N229 Y300K221-L225 WeakPolarHBondContact O-CG 3.23Å; K221-L225 PolarHBondContact O-N 3.38Å; K221-L225 VanDerWaalsContact O-N 3.11Å; I223-L225 VanDerWaalsContact C-N 3.31Å; I223-L225 PolarHBondContact O-N 3.35Å; L225-W227 VanDerWaalsContact C-N 3.26Å; L225-W227 PolarHBondContact O-N 2.79Å; L225-S228 PolarHBondContact O-OG 3.36Å; L225-N229 WeakPolarHBondContact O-CB 3.29Å; L225-N229 PolarHBondContact O-N 3.43Å; L225-N229 PolarHBondContact O-ND2 3.05Å; L225-Y300 HydrophobicContact CD1-CE2 3.42Å; L225-Y300 VanDerWaalsContact CD1-CE2 3.42Å; L225-Y300 VanDerWaalsContact CD1-OH 3.27Å; L225-Y300 WeakPolarHBondContact CD1-OH 3.21Å
226S94.7Very high95.6Very high1 Ų139.6 Ų39.61%0.00722%0.215CC..Hα-helixtrans-63.7-32.6-177.477.20000112.7N222 I223 Q224 N229 I230 L313N222-S226 PolarHBondContact O-N 3.26Å; I223-S226 VanDerWaalsContact O-CB 3.27Å; I223-S226 WeakPolarHBondContact O-CB 3.37Å; I223-S226 PolarHBondContact O-N 2.87Å; I223-S226 PolarHBondContact O-OG 2.93Å; Q224-S226 VanDerWaalsContact C-N 3.28Å; Q224-S226 PolarHBondContact O-N 3.37Å; S226-N229 PolarHBondContact O-N 2.74Å; S226-I230 WeakPolarHBondContact O-CB 3.33Å; S226-I230 VanDerWaalsContact O-CG1 3.22Å; S226-I230 WeakPolarHBondContact O-CG1 3.46Å; S226-I230 PolarHBondContact O-N 3.11Å; S226-L313 WeakPolarHBondContact OG-CD2 3.21Å
227W94.7Very high95.5Very high8 Ų843.7 Ų43.73%0.0323%0.234CC..Hα-helixtrans-62.4-53.4-176.4-52.3124.4000112.6I223 L225 N229 I230 V231 I260 L263 L267 I364 P366I223-W227 HydrophobicContact CG2-CZ2 3.92Å; L225-W227 VanDerWaalsContact C-N 3.26Å; L225-W227 PolarHBondContact O-N 2.79Å; W227-N229 VanDerWaalsContact C-N 3.31Å; W227-N229 PolarHBondContact O-N 3.13Å; W227-I230 PolarHBondContact O-N 2.93Å; W227-V231 WeakPolarHBondContact O-CG2 3.4Å; W227-V231 PolarHBondContact O-N 3.24Å; W227-V231 VanDerWaalsContact O-N 3.1Å; W227-I260 HydrophobicContact CE3-CG2 4.14Å; W227-I260 HydrophobicContact CZ3-CG2 4.31Å; W227-L263 HydrophobicContact CH2-CB 3.9Å; W227-L263 HydrophobicContact CZ3-CB 3.82Å; W227-L263 HydrophobicContact CZ3-CD1 4.33Å; W227-L267 HydrophobicContact CH2-CD1 3.71Å; W227-L267 HydrophobicContact CZ2-CD1 3.56Å; W227-I364 WeakPolarHBondContact CZ2-O 3.11Å; W227-I364 PolarHBondContact NE1-O 2.82Å; W227-P366 HydrophobicContact CB-CB 4.46Å; W227-P366 HydrophobicContact CD2-CB 3.93Å; W227-P366 HydrophobicContact CD2-CG 4.36Å; W227-P366 HydrophobicContact CE3-CB 4.35Å; W227-P366 HydrophobicContact CG-CB 3.95Å
228S93.5Very high95.6Very high56 Ų5643.6 Ų43.639%0.39224%0.238SC..Hα-helixtrans-64.7-38.3176.755.60000111.5L225 I230 V231 D232L225-S228 PolarHBondContact O-OG 3.36Å; S228-I230 PolarHBondContact O-N 2.92Å; S228-V231 PolarHBondContact O-N 2.04Å; S228-D232 WeakPolarHBondContact O-CB 3.01Å; S228-D232 PolarHBondContact O-N 3.39Å
229N95Very high95.6Very high14 Ų1441 Ų418%0.07523%0.225CC..Hα-helixtrans-64.2-40.5179-71.6-18000112.7L225 S226 W227 D232 I233 V306 I310L225-N229 WeakPolarHBondContact O-CB 3.29Å; L225-N229 PolarHBondContact O-N 3.43Å; L225-N229 PolarHBondContact O-ND2 3.05Å; S226-N229 PolarHBondContact O-N 2.74Å; W227-N229 VanDerWaalsContact C-N 3.31Å; W227-N229 PolarHBondContact O-N 3.13Å; N229-D232 PolarHBondContact O-N 3.33Å; N229-I233 VanDerWaalsContact O-CG1 3.3Å; N229-I233 WeakPolarHBondContact O-CG1 3.4Å; N229-I233 PolarHBondContact O-N 3.13Å; N229-V306 HydrophobicContact CB-CG1 3.54Å; N229-V306 VanDerWaalsContact CG-CG1 3.49Å; N229-I310 HydrophobicContact CB-CD1 3.74Å; N229-I310 HydrophobicContact CB-CG1 3.97Å
230I96.5Very high95.6Very high0 Ų044 Ų440%024%0.238CC..Hα-helixtrans-65.7-44.8175.4-73.1166.4000110S226 W227 S228 D232 G234 L243 F247 V256 I259 I260 L263 I310 L313S226-I230 WeakPolarHBondContact O-CB 3.33Å; S226-I230 VanDerWaalsContact O-CG1 3.22Å; S226-I230 WeakPolarHBondContact O-CG1 3.46Å; S226-I230 PolarHBondContact O-N 3.11Å; W227-I230 PolarHBondContact O-N 2.93Å; S228-I230 PolarHBondContact O-N 2.92Å; I230-D232 PolarHBondContact O-N 3.42Å; I230-G234 PolarHBondContact O-N 3.15Å; I230-L243 HydrophobicContact CG1-CD2 4.43Å; I230-L243 HydrophobicContact CG2-CD1 4.12Å; I230-F247 HydrophobicContact CD1-CZ 4.46Å; I230-V256 HydrophobicContact CG2-CG1 3.68Å; I230-I259 HydrophobicContact CG2-CG2 3.95Å; I230-I260 HydrophobicContact CG2-CD1 4.42Å; I230-I260 HydrophobicContact CG2-CG1 4.03Å; I230-L263 HydrophobicContact CD1-CD1 3.67Å; I230-I310 HydrophobicContact CD1-CD1 4.39Å; I230-I310 HydrophobicContact CG1-CD1 3.8Å; I230-I310 HydrophobicContact CG1-CG1 4.43Å; I230-I310 HydrophobicContact CG1-CG2 4.41Å; I230-L313 HydrophobicContact CD1-CD2 4.31Å
231V95.4Very high95.7Very high34 Ų3450 Ų5021%0.20627%0.265CS..Hα-helixtrans-57.2-49.6174.9171.40000110.7L5 W227 S228 G234 Q235 I260L5-V231 HydrophobicContact CD1-CG1 4.33Å; W227-V231 WeakPolarHBondContact O-CG2 3.4Å; W227-V231 PolarHBondContact O-N 3.24Å; W227-V231 VanDerWaalsContact O-N 3.1Å; S228-V231 PolarHBondContact O-N 2.04Å; V231-G234 PolarHBondContact O-N 3.49Å; V231-Q235 WeakPolarHBondContact O-CG 2.99Å; V231-Q235 PolarHBondContact O-N 2.96Å; V231-I260 HydrophobicContact CG2-CD1 3.61Å
232D95.3Very high95.8Very high86 Ų8649.5 Ų49.546%0.4627%0.266SS..Hα-helixtrans-63.9-45.5-177-71.5-19.3000112.4S228 N229 I230 G234S228-D232 WeakPolarHBondContact O-CB 3.01Å; S228-D232 PolarHBondContact O-N 3.39Å; N229-D232 PolarHBondContact O-N 3.33Å; I230-D232 PolarHBondContact O-N 3.42Å; D232-G234 VanDerWaalsContact C-N 3.34Å; D232-G234 PolarHBondContact O-N 3.42Å
233I96.3Very high95.9Very high21 Ų2149 Ų4911%0.10826%0.263CS..Hα-helixtrans-60.2-48174.4-69.1170.2000109.7N229 Q235 G239 L242 L243 V306 I310N229-I233 VanDerWaalsContact O-CG1 3.3Å; N229-I233 WeakPolarHBondContact O-CG1 3.4Å; N229-I233 PolarHBondContact O-N 3.13Å; I233-Q235 PolarHBondContact O-N 3.03Å; I233-Q235 VanDerWaalsContact O-N 3.08Å; I233-G239 WeakPolarHBondContact CG2-O 3.3Å; I233-G239 VanDerWaalsContact O-CA 3.3Å; I233-G239 WeakPolarHBondContact O-CA 3.35Å; I233-L242 HydrophobicContact CG2-CD2 4.29Å; I233-L243 HydrophobicContact CB-CD1 4.45Å; I233-L243 HydrophobicContact CG2-CD1 4.1Å; I233-L243 HydrophobicContact CG2-CD2 4.19Å; I233-L243 HydrophobicContact CG2-CG 3.81Å; I233-V306 HydrophobicContact CD1-CG1 4.09Å; I233-V306 HydrophobicContact CG1-CG1 4.4Å; I233-I310 HydrophobicContact CD1-CB 4.3Å; I233-I310 HydrophobicContact CD1-CG1 3.93Å
234G96.5Very high96Very high2 Ų250 Ų502%0.02127%0.27CS..THydrogen-bonded Turntrans-71.31-173.200000116.1I230 V231 D232 S236 K240 V256I230-G234 PolarHBondContact O-N 3.15Å; V231-G234 PolarHBondContact O-N 3.49Å; D232-G234 VanDerWaalsContact C-N 3.34Å; D232-G234 PolarHBondContact O-N 3.42Å; G234-S236 PolarHBondContact O-N 2.93Å; G234-K240 WeakPolarHBondContact O-CE 3.46Å; G234-K240 WeakPolarHBondContact O-CG 3.4Å; G234-V256 VanDerWaalsContact CA-CG2 3.5Å; G234-V256 VanDerWaalsContact O-CG2 3.22Å; G234-V256 WeakPolarHBondContact O-CG2 3.26Å
235Q95.3Very high96.1Very high132 Ų13255.1 Ų55.162%0.61729%0.293SS*.THydrogen-bonded Turntrans-67.8-24.8175-67.71805.200113V231 I233V231-Q235 WeakPolarHBondContact O-CG 2.99Å; V231-Q235 PolarHBondContact O-N 2.96Å; I233-Q235 PolarHBondContact O-N 3.03Å; I233-Q235 VanDerWaalsContact O-N 3.08Å
236S96.2Very high96.3Very high59 Ų5953.7 Ų53.741%0.41329%0.286SS..SBendtrans-106.7159-178.367.10000112.3G234 G239 K240G234-S236 PolarHBondContact O-N 2.93Å; S236-G239 PolarHBondContact O-N 3.08Å; S236-G239 WeakPolarHBondContact OG-CA 3.32Å; S236-G239 PolarHBondContact OG-N 2.9Å; S236-K240 WeakPolarHBondContact O-CG 3.4Å; S236-K240 PolarHBondContact O-N 2.92Å
237V96.5Very high96.4Very high116 Ų11653.8 Ų53.870%0.70329%0.286SS*.Hα-helixtrans-61.5-50.5174.1177.30000110.1G239 K240 E241V237-G239 PolarHBondContact O-N 3.17Å; V237-K240 PolarHBondContact O-N 3.04Å; V237-K240 VanDerWaalsContact O-N 3.11Å; V237-E241 PolarHBondContact O-N 2.95Å
238D96.8Very high96.5Very high123 Ų12356.9 Ų56.966%0.65830%0.303SS*.Hα-helixtrans-58.7-36.9177.6-58.9-0.7000111.9E241 L242D238-E241 PolarHBondContact O-N 3.34Å; D238-L242 WeakPolarHBondContact O-CB 3.5Å; D238-L242 PolarHBondContact O-N 2.91Å
239G97.2Very high96.6Very high6 Ų654.8 Ų54.86%0.06229%0.287CS..Hα-helixtrans-70.6-36.4176.800000113.7I233 S236 V237 L242 L243I233-G239 WeakPolarHBondContact CG2-O 3.3Å; I233-G239 VanDerWaalsContact O-CA 3.3Å; I233-G239 WeakPolarHBondContact O-CA 3.35Å; S236-G239 PolarHBondContact O-N 3.08Å; S236-G239 WeakPolarHBondContact OG-CA 3.32Å; S236-G239 PolarHBondContact OG-N 2.9Å; V237-G239 PolarHBondContact O-N 3.17Å; G239-L242 WeakPolarHBondContact O-CB 3.38Å; G239-L242 PolarHBondContact O-N 2.96Å; G239-L243 WeakPolarHBondContact O-CG 3.49Å; G239-L243 PolarHBondContact O-N 3.22Å
240K97.6Very high96.6Very high61 Ų6156.8 Ų56.827%0.26530%0.302SS..Hα-helixtrans-66.2-39171.1-70.1176.4-172.3-176.30111.8G234 S236 V237 L243 T244 L253 T254 V256G234-K240 WeakPolarHBondContact O-CE 3.46Å; G234-K240 WeakPolarHBondContact O-CG 3.4Å; S236-K240 WeakPolarHBondContact O-CG 3.4Å; S236-K240 PolarHBondContact O-N 2.92Å; V237-K240 PolarHBondContact O-N 3.04Å; V237-K240 VanDerWaalsContact O-N 3.11Å; K240-L243 PolarHBondContact O-N 3.14Å; K240-T244 WeakPolarHBondContact O-CB 3.43Å; K240-T244 PolarHBondContact O-N 3.09Å; K240-T244 PolarHBondContact O-OG1 3.34Å; K240-L253 HydrophobicContact CB-CB 4.41Å; K240-L253 WeakPolarHBondContact CD-O 3.32Å; K240-T254 PolarHBondContact NZ-O 2.95Å; K240-V256 HydrophobicContact CG-CG2 4.3Å
241E97.8Very high96.4Very high132 Ų13260.4 Ų60.462%0.61732%0.324SS*.Hα-helixtrans-63.4-42.8173.1-173.7174.5-171.100111.2V237 D238 L243 T244 H245V237-E241 PolarHBondContact O-N 2.95Å; D238-E241 PolarHBondContact O-N 3.34Å; E241-L243 PolarHBondContact O-N 3.41Å; E241-T244 WeakPolarHBondContact O-CB 3.18Å; E241-T244 PolarHBondContact O-N 3.01Å; E241-H245 PolarHBondContact O-N 2.93Å
242L97.7Very high96.4Very high65 Ų6563.8 Ų63.834%0.3435%0.347SS..Hα-helixtrans-59.1-46.5175-176.463.3000112I233 D238 G239 H245 M246 V307I233-L242 HydrophobicContact CG2-CD2 4.29Å; D238-L242 WeakPolarHBondContact O-CB 3.5Å; D238-L242 PolarHBondContact O-N 2.91Å; G239-L242 WeakPolarHBondContact O-CB 3.38Å; G239-L242 PolarHBondContact O-N 2.96Å; L242-H245 PolarHBondContact O-N 3.39Å; L242-M246 HydrophobicContact CD1-CE 3.68Å; L242-M246 HydrophobicContact CD1-CG 4.42Å; L242-M246 HydrophobicContact CD2-CE 3.83Å; L242-M246 HydrophobicContact CG-CE 3.61Å; L242-M246 HydrophobicContact CG-CG 4.48Å; L242-M246 HydrophobicContact CG-SD 4.18Å; L242-M246 WeakPolarHBondContact O-CB 3.34Å; L242-M246 VanDerWaalsContact O-CG 3.29Å; L242-M246 WeakPolarHBondContact O-CG 3.35Å; L242-M246 PolarHBondContact O-N 2.99Å; L242-V307 HydrophobicContact CD2-CG1 4.41Å; L242-V307 HydrophobicContact CD2-CG2 4.26Å
243L97.9Very high96.3Very high0 Ų060.2 Ų60.20%033%0.327CS..Hα-helixtrans-63.9-41.9176-70.5171.6000111.9I230 I233 G239 K240 E241 H245 M246 F247 L253 I310I230-L243 HydrophobicContact CG1-CD2 4.43Å; I230-L243 HydrophobicContact CG2-CD1 4.12Å; I233-L243 HydrophobicContact CB-CD1 4.45Å; I233-L243 HydrophobicContact CG2-CD1 4.1Å; I233-L243 HydrophobicContact CG2-CD2 4.19Å; I233-L243 HydrophobicContact CG2-CG 3.81Å; G239-L243 WeakPolarHBondContact O-CG 3.49Å; G239-L243 PolarHBondContact O-N 3.22Å; K240-L243 PolarHBondContact O-N 3.14Å; E241-L243 PolarHBondContact O-N 3.41Å; L243-H245 VanDerWaalsContact C-N 3.28Å; L243-H245 PolarHBondContact O-N 3.16Å; L243-M246 PolarHBondContact O-N 2.93Å; L243-F247 HydrophobicContact CD2-CD2 4.46Å; L243-F247 HydrophobicContact CD2-CE2 4.14Å; L243-F247 PolarHBondContact O-N 3.27Å; L243-L253 HydrophobicContact CB-CD2 3.97Å; L243-L253 HydrophobicContact CD1-CD2 3.99Å; L243-I310 HydrophobicContact CD2-CG2 3.89Å
244T97.6Very high96.2Very high22 Ų2264.4 Ų64.414%0.13535%0.354CS..Hα-helixtrans-55.1-46.6174.9-57.20000110.5K240 E241 N248 I249 L253K240-T244 WeakPolarHBondContact O-CB 3.43Å; K240-T244 PolarHBondContact O-N 3.09Å; K240-T244 PolarHBondContact O-OG1 3.34Å; E241-T244 WeakPolarHBondContact O-CB 3.18Å; E241-T244 PolarHBondContact O-N 3.01Å; T244-N248 WeakPolarHBondContact O-CA 3.39Å; T244-N248 PolarHBondContact O-N 3.08Å; T244-N248 VanDerWaalsContact O-N 3.12Å; T244-I249 HydrophobicContact CG2-CB 4.13Å; T244-I249 PolarHBondContact O-N 2.82Å; T244-L253 VanDerWaalsContact OG1-CB 3.3Å; T244-L253 WeakPolarHBondContact OG1-CB 3.4Å; T244-L253 PolarHBondContact OG1-N 2.96Å
245H97.4Very high95.9Very high160 Ų16068.2 Ų68.274%0.74137%0.374SS*.Hα-helixtrans-71.5-46179.7-16766.9000112.7E241 L242 L243 F247 N248E241-H245 PolarHBondContact O-N 2.93Å; L242-H245 PolarHBondContact O-N 3.39Å; L243-H245 VanDerWaalsContact C-N 3.28Å; L243-H245 PolarHBondContact O-N 3.16Å; H245-F247 PolarHBondContact O-N 3.15Å; H245-N248 PolarHBondContact O-N 3.48Å; H245-N248 VanDerWaalsContact O-N 3.12Å
246M96.8Very high95.9Very high30 Ų3062.8 Ų62.815%0.14835%0.35CS..Hα-helixtrans-58.1-46.6-179-79.4-179.7178.500112.8L242 L243 N248 V307 I310 A314L242-M246 HydrophobicContact CD1-CE 3.68Å; L242-M246 HydrophobicContact CD1-CG 4.42Å; L242-M246 HydrophobicContact CD2-CE 3.83Å; L242-M246 HydrophobicContact CG-CE 3.61Å; L242-M246 HydrophobicContact CG-CG 4.48Å; L242-M246 HydrophobicContact CG-SD 4.18Å; L242-M246 WeakPolarHBondContact O-CB 3.34Å; L242-M246 VanDerWaalsContact O-CG 3.29Å; L242-M246 WeakPolarHBondContact O-CG 3.35Å; L242-M246 PolarHBondContact O-N 2.99Å; L243-M246 PolarHBondContact O-N 2.93Å; M246-N248 VanDerWaalsContact C-N 3.3Å; M246-V307 HydrophobicContact CE-CB 4.31Å; M246-V307 HydrophobicContact CE-CG1 3.4Å; M246-V307 WeakPolarHBondContact CE-O 3.44Å; M246-I310 HydrophobicContact SD-CB 4.41Å; M246-I310 HydrophobicContact SD-CG2 3.89Å; M246-A314 HydrophobicContact CB-CB 4.18Å; M246-A314 WeakPolarHBondContact O-CB 3.49Å
247F97Very high95.6Very high2 Ų261.6 Ų61.61%0.00934%0.338CS..THydrogen-bonded Turntrans-894179.8-73.5-91.2000112.9I230 L243 H245 I249 I259 L263 I310 L313 A314 V317 L330I230-F247 HydrophobicContact CD1-CZ 4.46Å; L243-F247 HydrophobicContact CD2-CD2 4.46Å; L243-F247 HydrophobicContact CD2-CE2 4.14Å; L243-F247 PolarHBondContact O-N 3.27Å; H245-F247 PolarHBondContact O-N 3.15Å; F247-I249 VanDerWaalsContact C-N 3.32Å; F247-I249 HydrophobicContact CB-CD1 4.21Å; F247-I249 HydrophobicContact CB-CG1 3.8Å; F247-I249 PolarHBondContact O-N 3.26Å; F247-I259 HydrophobicContact CB-CD1 4.09Å; F247-I259 HydrophobicContact CD1-CD1 4.15Å; F247-I259 HydrophobicContact CD2-CD1 3.39Å; F247-I259 HydrophobicContact CE1-CD1 4.42Å; F247-I259 HydrophobicContact CE2-CD1 3.7Å; F247-I259 HydrophobicContact CG-CD1 3.62Å; F247-I259 HydrophobicContact CZ-CD1 4.22Å; F247-L263 HydrophobicContact CD1-CD2 4.33Å; F247-L263 HydrophobicContact CE1-CD1 3.91Å; F247-L263 HydrophobicContact CE1-CD2 3.82Å; F247-L263 HydrophobicContact CE1-CG 4.44Å; F247-L263 HydrophobicContact CZ-CD1 3.95Å; F247-I310 HydrophobicContact CE2-CG2 3.71Å; F247-I310 HydrophobicContact CZ-CG2 4.21Å; F247-L313 HydrophobicContact CE1-CG 4.4Å; F247-L313 HydrophobicContact CZ-CD2 4.27Å; F247-L313 HydrophobicContact CZ-CG 4.27Å; F247-A314 HydrophobicContact CD1-CB 3.74Å; F247-A314 HydrophobicContact CD2-CB 3.96Å; F247-A314 HydrophobicContact CE1-CB 3.76Å; F247-A314 HydrophobicContact CE2-CB 3.99Å; F247-A314 HydrophobicContact CG-CB 3.85Å; F247-A314 HydrophobicContact CZ-CB 3.89Å; F247-V317 HydrophobicContact CE1-CG2 4.41Å; F247-L330 HydrophobicContact CB-CD1 4.33Å; F247-L330 WeakPolarHBondContact O-CD1 3.49Å; F247-L330 VanDerWaalsContact O-CG 3.28Å; F247-L330 WeakPolarHBondContact O-CG 3.32Å
248N96.4Very high95.3Very high74 Ų7458.2 Ų58.240%0.39632%0.316SS..THydrogen-bonded Turntrans49.450.7-178.6-170.932.6000112.3T244 H245 M246 L318 T328 C329 L330T244-N248 WeakPolarHBondContact O-CA 3.39Å; T244-N248 PolarHBondContact O-N 3.08Å; T244-N248 VanDerWaalsContact O-N 3.12Å; H245-N248 PolarHBondContact O-N 3.48Å; H245-N248 VanDerWaalsContact O-N 3.12Å; M246-N248 VanDerWaalsContact C-N 3.3Å; N248-L318 HydrophobicContact CB-CD1 4.28Å; N248-L318 HydrophobicContact CB-CD2 4.12Å; N248-T328 PolarHBondContact ND2-O 2.59Å; N248-C329 CarbonylContact O-C 3.37Å; N248-C329 WeakPolarHBondContact O-CA 3.34Å; N248-C329 WeakPolarHBondContact O-CB 3.16Å; N248-L330 PolarHBondContact O-N 3.37Å
249I95.5Very high95.1Very high12 Ų1252.5 Ų52.56%0.06229%0.285CS..BIsolated β-bridgetrans-76.1136.7-175.7-52.2175.1000109.7T244 F247 T251 L253 I259 L330 I332T244-I249 HydrophobicContact CG2-CB 4.13Å; T244-I249 PolarHBondContact O-N 2.82Å; F247-I249 VanDerWaalsContact C-N 3.32Å; F247-I249 HydrophobicContact CB-CD1 4.21Å; F247-I249 HydrophobicContact CB-CG1 3.8Å; F247-I249 PolarHBondContact O-N 3.26Å; I249-T251 VanDerWaalsContact C-N 3.29Å; I249-T251 VanDerWaalsContact CG2-O 3.31Å; I249-T251 WeakPolarHBondContact CG2-O 3.49Å; I249-T251 PolarHBondContact O-N 3.2Å; I249-L253 HydrophobicContact CD1-CB 4.5Å; I249-L253 HydrophobicContact CD1-CD1 4.4Å; I249-I259 HydrophobicContact CD1-CD1 3.9Å; I249-L330 WeakPolarHBondContact CA-O 3.35Å; I249-I332 HydrophobicContact CD1-CD1 4.09Å; I249-I332 HydrophobicContact CG2-CD1 3.72Å; I249-I332 HydrophobicContact CG2-CG1 3.72Å; I249-I332 HydrophobicContact CG2-CG2 4.19Å
250C94.5Very high94.9Very high56 Ų5652.2 Ų52.238%0.37828%0.282SS..SBendtrans-63.6-32.3-174.7-62.60000114C329 L330C250-C329 WeakPolarHBondContact CA-SG 2.92Å; C250-C329 HydrophobicContact CB-CB 3.95Å; C250-C329 WeakPolarHBondContact CB-SG 3.39Å; C250-C329 WeakPolarHBondContact SG-CB 3.45Å; C250-C329 CovalentContact SG-SG 2.04Å; C250-C329 PolarHBondContact SG-SG 3.27Å; C250-L330 PolarHBondContact N-O 2.84Å
251T93.2Very high94.5Very high76 Ų7650.6 Ų50.647%0.46628%0.276SS..SBendtrans-124.6145.4-179.756.70000110.6I249 L253I249-T251 VanDerWaalsContact C-N 3.29Å; I249-T251 VanDerWaalsContact CG2-O 3.31Å; I249-T251 WeakPolarHBondContact CG2-O 3.49Å; I249-T251 PolarHBondContact O-N 3.2Å; T251-L253 PolarHBondContact O-N 2.73Å
252P94.7Very high94.2Very high105 Ų10544.7 Ų44.768%0.68225%0.249SC*.  trans-52.2128.9176.9-2734.9000112.5T254P252-T254 PolarHBondContact O-N 3.33Å; P252-T254 VanDerWaalsContact O-N 3.16Å
253L94.3Very high94.1Very high11 Ų1141.8 Ų41.86%0.05823%0.233CC..  trans-66.5112.3-179.2-17369.2000110.4K240 L243 T244 I249 T251 D255 N258 I259 I332K240-L253 HydrophobicContact CB-CB 4.41Å; K240-L253 WeakPolarHBondContact CD-O 3.32Å; L243-L253 HydrophobicContact CB-CD2 3.97Å; L243-L253 HydrophobicContact CD1-CD2 3.99Å; T244-L253 VanDerWaalsContact OG1-CB 3.3Å; T244-L253 WeakPolarHBondContact OG1-CB 3.4Å; T244-L253 PolarHBondContact OG1-N 2.96Å; I249-L253 HydrophobicContact CD1-CB 4.5Å; I249-L253 HydrophobicContact CD1-CD1 4.4Å; T251-L253 PolarHBondContact O-N 2.73Å; L253-D255 WeakPolarHBondContact CD1-O 3.47Å; L253-N258 HydrophobicContact CD1-CB 4.48Å; L253-I259 HydrophobicContact CD1-CB 4.14Å; L253-I259 HydrophobicContact CD1-CG2 4.15Å; L253-I259 HydrophobicContact CD2-CG2 3.88Å; L253-I332 HydrophobicContact CD1-CD1 3.59Å
254T92.7Very high93.8Very high108 Ų10842 Ų4266%0.66323%0.234SC*.SBendtrans-90.8-39.3176.252.60000112.1K240 P252K240-T254 PolarHBondContact NZ-O 2.95Å; P252-T254 PolarHBondContact O-N 3.33Å; P252-T254 VanDerWaalsContact O-N 3.16Å
255D91.8Very high93.4Very high82 Ų8241.1 Ų41.144%0.43923%0.229SC..  trans-123.9123.9-179.6-172.5-4.8000110L253 Q257 N258L253-D255 WeakPolarHBondContact CD1-O 3.47Å; D255-Q257 PolarHBondContact O-N 3.35Å; D255-Q257 WeakPolarHBondContact OD1-CB 3.44Å; D255-Q257 PolarHBondContact OD1-N 3.46Å; D255-N258 PolarHBondContact O-N 2.67Å; D255-N258 VanDerWaalsContact O-N 3.16Å
256V93.5Very high93.1Very high18 Ų1833.5 Ų33.511%0.10919%0.194CC..Hα-helixtrans-63.5-25.8179.6-174.10000111.2I230 G234 K240 N258 I259 I260I230-V256 HydrophobicContact CG2-CG1 3.68Å; G234-V256 VanDerWaalsContact CA-CG2 3.5Å; G234-V256 VanDerWaalsContact O-CG2 3.22Å; G234-V256 WeakPolarHBondContact O-CG2 3.26Å; K240-V256 HydrophobicContact CG-CG2 4.3Å; V256-N258 PolarHBondContact O-N 2.77Å; V256-I259 HydrophobicContact CG1-CG2 4.39Å; V256-I259 WeakPolarHBondContact O-CG2 3.34Å; V256-I259 PolarHBondContact O-N 2.87Å; V256-I260 HydrophobicContact CG1-CD1 4.19Å; V256-I260 PolarHBondContact O-N 3.14Å
257Q90.6Very high93Very high35 Ų3532.3 Ų32.316%0.16419%0.188CC..Hα-helixtrans-62.2-33177.5-16757.647.600111.8D255 I259 I260 D261D255-Q257 PolarHBondContact O-N 3.35Å; D255-Q257 WeakPolarHBondContact OD1-CB 3.44Å; D255-Q257 PolarHBondContact OD1-N 3.46Å; Q257-I259 VanDerWaalsContact C-N 3.34Å; Q257-I259 PolarHBondContact O-N 3.14Å; Q257-I260 PolarHBondContact O-N 3.32Å; Q257-I260 VanDerWaalsContact O-N 3.13Å; Q257-D261 PolarHBondContact NE2-OD1 3Å; Q257-D261 WeakPolarHBondContact O-CB 3.41Å; Q257-D261 PolarHBondContact O-N 3.26Å
258N90Very high92.8Very high45 Ų4532.2 Ų32.224%0.24119%0.187CC..Hα-helixtrans-64.2-36.5-177.7-60.8162.3000113L253 D255 V256 Y262 I332L253-N258 HydrophobicContact CD1-CB 4.48Å; D255-N258 PolarHBondContact O-N 2.67Å; D255-N258 VanDerWaalsContact O-N 3.16Å; V256-N258 PolarHBondContact O-N 2.77Å; N258-Y262 WeakPolarHBondContact O-CB 3.39Å; N258-Y262 PolarHBondContact O-N 2.66Å; N258-Y262 VanDerWaalsContact O-N 3.1Å; N258-I332 HydrophobicContact CB-CD1 3.99Å
259I93.4Very high92.6Very high2 Ų228.7 Ų28.71%0.0117%0.169CC..Hα-helixtrans-75.3-35.3174.9-173.2173.1000111.5I230 F247 I249 L253 V256 Q257 D261 Y262 L263 I332I230-I259 HydrophobicContact CG2-CG2 3.95Å; F247-I259 HydrophobicContact CB-CD1 4.09Å; F247-I259 HydrophobicContact CD1-CD1 4.15Å; F247-I259 HydrophobicContact CD2-CD1 3.39Å; F247-I259 HydrophobicContact CE1-CD1 4.42Å; F247-I259 HydrophobicContact CE2-CD1 3.7Å; F247-I259 HydrophobicContact CG-CD1 3.62Å; F247-I259 HydrophobicContact CZ-CD1 4.22Å; I249-I259 HydrophobicContact CD1-CD1 3.9Å; L253-I259 HydrophobicContact CD1-CB 4.14Å; L253-I259 HydrophobicContact CD1-CG2 4.15Å; L253-I259 HydrophobicContact CD2-CG2 3.88Å; V256-I259 HydrophobicContact CG1-CG2 4.39Å; V256-I259 WeakPolarHBondContact O-CG2 3.34Å; V256-I259 PolarHBondContact O-N 2.87Å; Q257-I259 VanDerWaalsContact C-N 3.34Å; Q257-I259 PolarHBondContact O-N 3.14Å; I259-D261 VanDerWaalsContact C-N 3.35Å; I259-Y262 PolarHBondContact O-N 3.13Å; I259-L263 HydrophobicContact CD1-CD1 4.46Å; I259-L263 HydrophobicContact CG1-CD1 3.95Å; I259-L263 HydrophobicContact CG1-CG 4.15Å; I259-L263 WeakPolarHBondContact O-CB 3.41Å; I259-L263 WeakPolarHBondContact O-CG 3.03Å; I259-L263 PolarHBondContact O-N 3.05Å; I259-I332 HydrophobicContact CB-CD1 4.39Å
260I93.4Very high92.5Very high1 Ų128.1 Ų28.11%0.00517%0.166CC..Hα-helixtrans-63-44.1175.2-67.5172000110.4W227 I230 V231 V256 Q257 L263 S264 P366W227-I260 HydrophobicContact CE3-CG2 4.14Å; W227-I260 HydrophobicContact CZ3-CG2 4.31Å; I230-I260 HydrophobicContact CG2-CD1 4.42Å; I230-I260 HydrophobicContact CG2-CG1 4.03Å; V231-I260 HydrophobicContact CG2-CD1 3.61Å; V256-I260 HydrophobicContact CG1-CD1 4.19Å; V256-I260 PolarHBondContact O-N 3.14Å; Q257-I260 PolarHBondContact O-N 3.32Å; Q257-I260 VanDerWaalsContact O-N 3.13Å; I260-L263 PolarHBondContact O-N 3.18Å; I260-S264 WeakPolarHBondContact O-CB 3.5Å; I260-S264 PolarHBondContact O-N 3.34Å; I260-S264 PolarHBondContact O-OG 3.24Å; I260-P366 HydrophobicContact CG2-CB 4.26Å; I260-P366 HydrophobicContact CG2-CG 4.04Å
261D88.7Confident92.6Very high27 Ų2725.4 Ų25.414%0.14415%0.148CC..Hα-helixtrans-61.5-51.6177.1-65.6-18.3000110.5Q257 I259 L263 S264 D265Q257-D261 PolarHBondContact NE2-OD1 3Å; Q257-D261 WeakPolarHBondContact O-CB 3.41Å; Q257-D261 PolarHBondContact O-N 3.26Å; I259-D261 VanDerWaalsContact C-N 3.35Å; D261-L263 VanDerWaalsContact C-N 3.34Å; D261-L263 PolarHBondContact O-N 3.22Å; D261-S264 WeakPolarHBondContact O-CB 3.2Å; D261-S264 PolarHBondContact O-N 3.11Å; D261-S264 VanDerWaalsContact O-N 3.13Å; D261-D265 PolarHBondContact O-N 3.47Å
262Y91.6Very high92.6Very high8 Ų821.8 Ų21.83%0.03113%0.125CC..Hα-helixtrans-55.1-47.4177.3176.9-89.2000112.6H21 F22 N258 I259 S264 D265 F266 V317 T321 L330 I332H21-Y262 HydrophobicContact CB-CD2 4.05Å; H21-Y262 HydrophobicContact CB-CE2 4.15Å; H21-Y262 AromaticContact CD2-CD2 3.59Å; H21-Y262 AromaticContact CG-CD2 3.83Å; F22-Y262 HydrophobicContact CE1-CE2 4.19Å; F22-Y262 HydrophobicContact CE2-CE2 4.28Å; F22-Y262 HydrophobicContact CZ-CD2 4.47Å; F22-Y262 HydrophobicContact CZ-CE1 4.49Å; F22-Y262 AromaticContact CZ-CE2 3.64Å; F22-Y262 HydrophobicContact CZ-CE2 3.64Å; F22-Y262 AromaticContact CZ-CZ 3.64Å; F22-Y262 WeakPolarHBondContact CZ-OH 3.41Å; N258-Y262 WeakPolarHBondContact O-CB 3.39Å; N258-Y262 PolarHBondContact O-N 2.66Å; N258-Y262 VanDerWaalsContact O-N 3.1Å; I259-Y262 PolarHBondContact O-N 3.13Å; Y262-S264 VanDerWaalsContact C-N 3.34Å; Y262-D265 PolarHBondContact O-N 3.5Å; Y262-F266 VanDerWaalsContact O-CB 3.26Å; Y262-F266 WeakPolarHBondContact O-CB 3.45Å; Y262-F266 PolarHBondContact O-N 3.07Å; Y262-V317 HydrophobicContact CE1-CG1 4.42Å; Y262-T321 WeakPolarHBondContact OH-CG2 3.22Å; Y262-L330 HydrophobicContact CE1-CD1 4Å; Y262-I332 HydrophobicContact CD1-CG2 4.08Å; Y262-I332 HydrophobicContact CD2-CB 4.14Å; Y262-I332 HydrophobicContact CD2-CG2 3.78Å; Y262-I332 HydrophobicContact CE2-CG2 4.31Å; Y262-I332 HydrophobicContact CG-CB 4.19Å; Y262-I332 HydrophobicContact CG-CG2 3.66Å
263L94.4Very high92.6Very high4 Ų417.2 Ų17.22%0.02110%0.095CC..Hα-helixtrans-67.1-36.7-179.9-69.9176.3000111.7W227 I230 F247 I259 I260 D261 F266 L267 L313 V317W227-L263 HydrophobicContact CH2-CB 3.9Å; W227-L263 HydrophobicContact CZ3-CB 3.82Å; W227-L263 HydrophobicContact CZ3-CD1 4.33Å; I230-L263 HydrophobicContact CD1-CD1 3.67Å; F247-L263 HydrophobicContact CD1-CD2 4.33Å; F247-L263 HydrophobicContact CE1-CD1 3.91Å; F247-L263 HydrophobicContact CE1-CD2 3.82Å; F247-L263 HydrophobicContact CE1-CG 4.44Å; F247-L263 HydrophobicContact CZ-CD1 3.95Å; I259-L263 HydrophobicContact CD1-CD1 4.46Å; I259-L263 HydrophobicContact CG1-CD1 3.95Å; I259-L263 HydrophobicContact CG1-CG 4.15Å; I259-L263 WeakPolarHBondContact O-CB 3.41Å; I259-L263 WeakPolarHBondContact O-CG 3.03Å; I259-L263 PolarHBondContact O-N 3.05Å; I260-L263 PolarHBondContact O-N 3.18Å; D261-L263 VanDerWaalsContact C-N 3.34Å; D261-L263 PolarHBondContact O-N 3.22Å; L263-F266 PolarHBondContact O-N 2.75Å; L263-L267 VanDerWaalsContact O-CG 3.22Å; L263-L267 WeakPolarHBondContact O-CG 3.32Å; L263-L267 PolarHBondContact O-N 3.16Å; L263-L313 HydrophobicContact CD1-CD2 4.44Å; L263-V317 HydrophobicContact CD2-CB 4.4Å; L263-V317 HydrophobicContact CD2-CG1 4.02Å; L263-V317 HydrophobicContact CD2-CG2 3.67Å
264S92.8Very high92.7Very high3 Ų316.7 Ų16.72%0.0219%0.093CC..Hα-helixtrans-64.5-46.7176-58.60000111.2I260 D261 Y262 F266 L267 G268 M365 P366I260-S264 WeakPolarHBondContact O-CB 3.5Å; I260-S264 PolarHBondContact O-N 3.34Å; I260-S264 PolarHBondContact O-OG 3.24Å; D261-S264 WeakPolarHBondContact O-CB 3.2Å; D261-S264 PolarHBondContact O-N 3.11Å; D261-S264 VanDerWaalsContact O-N 3.13Å; Y262-S264 VanDerWaalsContact C-N 3.34Å; S264-F266 VanDerWaalsContact C-N 3.33Å; S264-F266 PolarHBondContact O-N 3.43Å; S264-L267 PolarHBondContact O-N 3.31Å; S264-G268 PolarHBondContact O-N 3.05Å; S264-M365 VanDerWaalsContact O-CE 3.26Å; S264-M365 WeakPolarHBondContact O-CE 3.37Å; S264-P366 VanDerWaalsContact OG-CD 3.27Å; S264-P366 WeakPolarHBondContact OG-CD 3.45Å; S264-P366 WeakPolarHBondContact OG-CG 3.33Å
265D88.2Confident92.9Very high5 Ų511.6 Ų11.63%0.0276%0.061CC..Hα-helixtrans-62.6-42.9176.9-71.8-29.7000110.9L13 L18 H21 D261 Y262 L267 G268 I269L13-D265 VanDerWaalsContact CD2-OD1 3.31Å; L13-D265 WeakPolarHBondContact CD2-OD1 3.29Å; L18-D265 HydrophobicContact CD2-CB 4.2Å; L18-D265 WeakPolarHBondContact CD2-O 3.38Å; H21-D265 IonicContact CE1-OD2 2.65Å; H21-D265 PolarHBondContact CE1-OD2 3.31Å; H21-D265 IonicContact ND1-OD2 3.62Å; H21-D265 PolarHBondContact ND1-OD2 2.88Å; D261-D265 PolarHBondContact O-N 3.47Å; Y262-D265 PolarHBondContact O-N 3.5Å; D265-L267 PolarHBondContact O-N 3.46Å; D265-G268 PolarHBondContact O-N 3.24Å; D265-I269 WeakPolarHBondContact O-CG1 3.39Å; D265-I269 PolarHBondContact O-N 3.05Å
266F92Very high93.2Very high0 Ų08.2 Ų8.20%04%0.044CC..Hα-helixtrans-60.5-46.4176.8179.7-110.6000112.9F22 Y262 L263 S264 G268 I269 I270 L283 L293 V317 L320 T321F22-F266 HydrophobicContact CE1-CD2 4.48Å; F22-F266 HydrophobicContact CE2-CB 4.27Å; F22-F266 HydrophobicContact CE2-CD2 4.38Å; F22-F266 HydrophobicContact CZ-CB 4.22Å; F22-F266 AromaticContact CZ-CD2 3.8Å; F22-F266 HydrophobicContact CZ-CD2 3.8Å; F22-F266 HydrophobicContact CZ-CG 4.46Å; Y262-F266 VanDerWaalsContact O-CB 3.26Å; Y262-F266 WeakPolarHBondContact O-CB 3.45Å; Y262-F266 PolarHBondContact O-N 3.07Å; L263-F266 PolarHBondContact O-N 2.75Å; S264-F266 VanDerWaalsContact C-N 3.33Å; S264-F266 PolarHBondContact O-N 3.43Å; F266-G268 VanDerWaalsContact C-N 3.3Å; F266-G268 PolarHBondContact O-N 2.77Å; F266-I269 PolarHBondContact O-N 2.85Å; F266-I270 HydrophobicContact CD2-CG2 4.25Å; F266-I270 HydrophobicContact CE1-CD1 4.41Å; F266-I270 HydrophobicContact CE1-CG2 4.35Å; F266-I270 HydrophobicContact CE2-CG2 3.73Å; F266-I270 HydrophobicContact CZ-CG2 3.78Å; F266-I270 PolarHBondContact O-N 2.72Å; F266-L283 HydrophobicContact CD2-CD1 4.35Å; F266-L283 HydrophobicContact CE2-CD1 4.14Å; F266-L293 HydrophobicContact CD1-CD1 4.49Å; F266-L293 HydrophobicContact CE1-CD1 3.68Å; F266-V317 HydrophobicContact CD1-CG1 4.17Å; F266-V317 HydrophobicContact CD1-CG2 4.26Å; F266-V317 HydrophobicContact CE1-CB 4.34Å; F266-V317 HydrophobicContact CE1-CG1 4.08Å; F266-V317 HydrophobicContact CE1-CG2 4.14Å; F266-L320 HydrophobicContact CE2-CB 4.47Å; F266-L320 HydrophobicContact CZ-CB 3.73Å; F266-L320 HydrophobicContact CZ-CD1 3.99Å; F266-T321 HydrophobicContact CD2-CG2 4Å; F266-T321 HydrophobicContact CE2-CG2 3.59Å; F266-T321 HydrophobicContact CZ-CG2 3.93Å
267L94.7Very high93.4Very high4 Ų48.4 Ų8.42%0.0214%0.043CC..Hα-helixtrans-62.6-38.7176.2-68.3172.3000111.7F211 I223 W227 L263 S264 D265 S271 L293 M365F211-L267 HydrophobicContact CE1-CD2 3.75Å; F211-L267 HydrophobicContact CE2-CD2 4.5Å; F211-L267 HydrophobicContact CZ-CB 4.31Å; F211-L267 HydrophobicContact CZ-CD2 3.48Å; F211-L267 VanDerWaalsContact CZ-CD2 3.48Å; F211-L267 HydrophobicContact CZ-CG 4.46Å; I223-L267 HydrophobicContact CD1-CD2 4.16Å; I223-L267 HydrophobicContact CG2-CD1 3.67Å; W227-L267 HydrophobicContact CH2-CD1 3.71Å; W227-L267 HydrophobicContact CZ2-CD1 3.56Å; L263-L267 VanDerWaalsContact O-CG 3.22Å; L263-L267 WeakPolarHBondContact O-CG 3.32Å; L263-L267 PolarHBondContact O-N 3.16Å; S264-L267 PolarHBondContact O-N 3.31Å; D265-L267 PolarHBondContact O-N 3.46Å; L267-S271 WeakPolarHBondContact O-CB 3.27Å; L267-S271 PolarHBondContact O-N 2.81Å; L267-S271 VanDerWaalsContact O-N 3.15Å; L267-L293 HydrophobicContact CD2-CD1 4.27Å; L267-M365 HydrophobicContact CB-SD 4.22Å
268G92.9Very high93.6Very high0 Ų010.4 Ų10.40%06%0.059CC..Hα-helixtrans-60.1-47.5173.600000112.5S264 D265 F266 S271 M272S264-G268 PolarHBondContact O-N 3.05Å; D265-G268 PolarHBondContact O-N 3.24Å; F266-G268 VanDerWaalsContact C-N 3.3Å; F266-G268 PolarHBondContact O-N 2.77Å; G268-S271 PolarHBondContact O-N 3Å; G268-M272 WeakPolarHBondContact O-CB 3.26Å; G268-M272 PolarHBondContact O-N 2.97Å
269I91Very high93.7Very high0 Ų08.9 Ų8.90%05%0.053CC..Hα-helixtrans-62.8-52.8179.6-70.5162.2000111L18 F22 D265 F266 S271 M272 V273 I282L18-I269 HydrophobicContact CB-CD1 4.23Å; L18-I269 HydrophobicContact CB-CG1 3.9Å; L18-I269 HydrophobicContact CD2-CG1 4.06Å; L18-I269 HydrophobicContact CG-CG1 4.41Å; L18-I269 VanDerWaalsContact O-CD1 3.26Å; L18-I269 WeakPolarHBondContact O-CD1 3.27Å; F22-I269 HydrophobicContact CB-CD1 4.01Å; F22-I269 HydrophobicContact CD2-CD1 3Å; F22-I269 HydrophobicContact CE2-CD1 3.55Å; F22-I269 HydrophobicContact CG-CD1 3.73Å; D265-I269 WeakPolarHBondContact O-CG1 3.39Å; D265-I269 PolarHBondContact O-N 3.05Å; F266-I269 PolarHBondContact O-N 2.85Å; I269-S271 PolarHBondContact O-N 2.99Å; I269-M272 WeakPolarHBondContact O-CA 3.42Å; I269-M272 WeakPolarHBondContact O-CB 3.25Å; I269-M272 PolarHBondContact O-N 2.77Å; I269-V273 HydrophobicContact CG2-CG2 4.08Å; I269-V273 VanDerWaalsContact O-CG2 3.23Å; I269-V273 WeakPolarHBondContact O-CG2 3.09Å; I269-V273 PolarHBondContact O-N 3.37Å; I269-I282 HydrophobicContact CD1-CG2 4.36Å; I269-I282 HydrophobicContact CG2-CB 4.5Å; I269-I282 HydrophobicContact CG2-CD1 4.49Å; I269-I282 HydrophobicContact CG2-CG2 4.32Å
270I94.7Very high93.4Very high0 Ų010.5 Ų10.50%06%0.064CC..Hα-helixtrans-66-26.7-175.768.2166.6000112.2F211 F266 N274 L285 P289 V290 L293 L320F211-I270 HydrophobicContact CE1-CD1 4.31Å; F211-I270 HydrophobicContact CE2-CG1 4.5Å; F211-I270 HydrophobicContact CZ-CD1 3.74Å; F211-I270 HydrophobicContact CZ-CG1 3.96Å; F266-I270 HydrophobicContact CD2-CG2 4.25Å; F266-I270 HydrophobicContact CE1-CD1 4.41Å; F266-I270 HydrophobicContact CE1-CG2 4.35Å; F266-I270 HydrophobicContact CE2-CG2 3.73Å; F266-I270 HydrophobicContact CZ-CG2 3.78Å; F266-I270 PolarHBondContact O-N 2.72Å; I270-N274 WeakPolarHBondContact O-CA 3.42Å; I270-N274 WeakPolarHBondContact O-CB 3.48Å; I270-N274 PolarHBondContact O-N 3.23Å; I270-L285 HydrophobicContact CG2-CD1 4.11Å; I270-L285 HydrophobicContact CG2-CD2 4.45Å; I270-P289 HydrophobicContact CB-CB 4.26Å; I270-P289 HydrophobicContact CB-CG 4.46Å; I270-V290 HydrophobicContact CD1-CG2 4.46Å; I270-V290 HydrophobicContact CG1-CG2 4.32Å; I270-L293 HydrophobicContact CD1-CB 4.11Å; I270-L293 HydrophobicContact CD1-CD1 3.47Å; I270-L293 VanDerWaalsContact CD1-CD1 3.47Å; I270-L293 HydrophobicContact CD1-CG 4.36Å; I270-L320 HydrophobicContact CD1-CD1 4.24Å; I270-L320 HydrophobicContact CG2-CD1 4.43Å
271S95Very high92.6Very high0 Ų010.8 Ų10.80%07%0.065CC..Hα-helixtrans-69.4-43.7170.1-169.70000111.6L267 G268 I269 N274L267-S271 WeakPolarHBondContact O-CB 3.27Å; L267-S271 PolarHBondContact O-N 2.81Å; L267-S271 VanDerWaalsContact O-N 3.15Å; G268-S271 PolarHBondContact O-N 3Å; I269-S271 PolarHBondContact O-N 2.99Å; S271-N274 WeakPolarHBondContact O-CB 3.43Å; S271-N274 PolarHBondContact O-N 2.95Å
272M94.6Very high92Very high0 Ų09.9 Ų9.90%06%0.061CC..Hα-helixtrans-64.6-39.8179.8-173.9177.570.800112.2F15 L18 G268 I269 I282 W417 A440 H441F15-M272 HydrophobicContact CD2-SD 4.15Å; F15-M272 HydrophobicContact CE2-CE 3.81Å; F15-M272 HydrophobicContact CE2-SD 3.56Å; F15-M272 VanDerWaalsContact CE2-SD 3.56Å; F15-M272 HydrophobicContact CZ-CE 4.28Å; L18-M272 HydrophobicContact CD1-SD 4.31Å; G268-M272 WeakPolarHBondContact O-CB 3.26Å; G268-M272 PolarHBondContact O-N 2.97Å; I269-M272 WeakPolarHBondContact O-CA 3.42Å; I269-M272 WeakPolarHBondContact O-CB 3.25Å; I269-M272 PolarHBondContact O-N 2.77Å; M272-I282 HydrophobicContact CE-CD1 3.38Å; M272-W417 PolarHBondContact SD-NE1 2.84Å; M272-W417 VanDerWaalsContact SD-NE1 3.42Å; M272-A440 VanDerWaalsContact O-CB 3.28Å; M272-A440 WeakPolarHBondContact O-CB 3.27Å; M272-H441 HydrophobicContact CG-CB 3.47Å; M272-H441 VanDerWaalsContact CG-CB 3.47Å; M272-H441 WeakPolarHBondContact O-CB 3.36Å; M272-H441 PolarHBondContact O-N 3.27Å
273V94.4Very high91.5Very high8 Ų811.1 Ų11.15%0.0487%0.068CC..THydrogen-bonded Turntrans-105.835178.9-61.30000112.8I269 Y275 L281 L285I269-V273 HydrophobicContact CG2-CG2 4.08Å; I269-V273 VanDerWaalsContact O-CG2 3.23Å; I269-V273 WeakPolarHBondContact O-CG2 3.09Å; I269-V273 PolarHBondContact O-N 3.37Å; V273-Y275 HydrophobicContact CB-CD2 4.01Å; V273-Y275 HydrophobicContact CB-CE2 3.67Å; V273-Y275 HydrophobicContact CG1-CE2 3.83Å; V273-Y275 PolarHBondContact O-N 2.93Å; V273-L281 HydrophobicContact CG1-CD2 4Å; V273-L285 HydrophobicContact CG2-CD1 3.46Å; V273-L285 VanDerWaalsContact CG2-CD1 3.46Å
274N97Very high91.3Very high0 Ų012.6 Ų12.60%08%0.08CC..  trans-73.260.1177.6-166.134.5000112.4I270 S271 W288 P289 V290 I414 A440I270-N274 WeakPolarHBondContact O-CA 3.42Å; I270-N274 WeakPolarHBondContact O-CB 3.48Å; I270-N274 PolarHBondContact O-N 3.23Å; S271-N274 WeakPolarHBondContact O-CB 3.43Å; S271-N274 PolarHBondContact O-N 2.95Å; N274-W288 WeakPolarHBondContact O-CZ3 3.4Å; N274-W288 VanDerWaalsContact OD1-C 3.31Å; N274-W288 WeakPolarHBondContact OD1-CA 3.4Å; N274-P289 VanDerWaalsContact OD1-CD 3.3Å; N274-P289 WeakPolarHBondContact OD1-CD 3.36Å; N274-V290 HydrophobicContact CB-CG2 4Å; N274-V290 PolarHBondContact OD1-N 3.27Å; N274-I414 HydrophobicContact CB-CD1 4.12Å; N274-A440 HydrophobicContact CB-CB 4.26Å
275Y97.4Very high91.3Very high2 Ų212.7 Ų12.71%0.0088%0.081CC..  trans-81.6154.2-173.2-61.8-48000113.1V273 Y277 A279 W288 A440 H441 L443V273-Y275 HydrophobicContact CB-CD2 4.01Å; V273-Y275 HydrophobicContact CB-CE2 3.67Å; V273-Y275 HydrophobicContact CG1-CE2 3.83Å; V273-Y275 PolarHBondContact O-N 2.93Å; Y275-Y277 PolarHBondContact O-N 3.34Å; Y275-A279 HydrophobicContact CD2-CB 3.69Å; Y275-A279 HydrophobicContact CE2-CB 4.38Å; Y275-W288 PolarHBondContact O-N 2.98Å; Y275-A440 HydrophobicContact CD1-CB 3.91Å; Y275-A440 HydrophobicContact CE1-CB 3.94Å; Y275-H441 VanDerWaalsContact CE1-O 3.29Å; Y275-H441 WeakPolarHBondContact CE1-O 3.5Å; Y275-H441 PolarHBondContact OH-O 3.39Å; Y275-L443 HydrophobicContact CD1-CB 4.39Å; Y275-L443 HydrophobicContact CD1-CD1 3.83Å; Y275-L443 HydrophobicContact CD1-CG 4.47Å; Y275-L443 HydrophobicContact CE1-CB 4.23Å; Y275-L443 HydrophobicContact CE1-CD1 4.25Å
276P97.6Very high91.6Very high11 Ų1112.7 Ų12.77%0.0718%0.081CC..SBendtrans-772.3-17733.1-39.7000115.1E287 W288 L443 A451P276-E287 WeakPolarHBondContact O-CB 3.17Å; P276-W288 HydrophobicContact CB-CH2 4.09Å; P276-W288 HydrophobicContact CB-CZ2 3.48Å; P276-W288 VanDerWaalsContact CB-CZ2 3.48Å; P276-L443 HydrophobicContact CG-CD2 4.27Å; P276-A451 HydrophobicContact CB-CB 4.45Å; P276-A451 WeakPolarHBondContact CB-O 3.42Å; P276-A451 WeakPolarHBondContact CG-O 3.44Å
277Y96.8Very high91.8Very high21 Ų2117.4 Ų17.48%0.08210%0.103CC..SBendtrans-146.2159.7-179.947.9-103.6000109.7Y275 A279 L443 R446 N449 A451 D452Y275-Y277 PolarHBondContact O-N 3.34Å; Y277-A279 PolarHBondContact O-N 3.16Å; Y277-L443 HydrophobicContact CE1-CD1 4.11Å; Y277-L443 WeakPolarHBondContact OH-CD1 3.22Å; Y277-R446 VanDerWaalsContact OH-CB 3.26Å; Y277-R446 WeakPolarHBondContact OH-CB 3.46Å; Y277-R446 VanDerWaalsContact OH-CD 3.31Å; Y277-R446 WeakPolarHBondContact OH-CD 3.43Å; Y277-R446 PolarHBondContact OH-NE 3.48Å; Y277-N449 HydrophobicContact CD1-CB 3.66Å; Y277-N449 VanDerWaalsContact CD1-CG 3.46Å; Y277-N449 HydrophobicContact CE1-CB 3.52Å; Y277-N449 HydrophobicContact CG-CB 4.45Å; Y277-A451 HydrophobicContact CD1-CB 4.24Å; Y277-D452 WeakPolarHBondContact CE1-OD1 3.34Å
278P94.8Very high91.9Very high77 Ų7719.8 Ų19.850%0.511%0.111SC..  trans-56.6132.9175-25.634.9000112.2L285P278-L285 VanDerWaalsContact CA-O 3.32Å; P278-L285 WeakPolarHBondContact CA-O 3.25Å
279A92.6Very high92.1Very high14 Ų1419.8 Ų19.812%0.11611%0.112CC..EExtended strand (participates in β ladder)trans-143.7156.5-174.900000111.7Y275 Y277 A284 L285Y275-A279 HydrophobicContact CD2-CB 3.69Å; Y275-A279 HydrophobicContact CE2-CB 4.38Å; Y277-A279 PolarHBondContact O-N 3.16Å; A279-A284 WeakPolarHBondContact O-CA 3.25Å; A279-L285 PolarHBondContact N-O 3.19Å; A279-L285 VanDerWaalsContact N-O 3.1Å; A279-L285 PolarHBondContact O-N 3.06Å
280S86.3Confident92.4Very high35 Ų3519.8 Ų19.825%0.24511%0.112CC..EExtended strand (participates in β ladder)trans-136.196.6175.9-62.80000109.7N87 A284N87-S280 PolarHBondContact OD1-O 2.86Å; S280-A284 WeakPolarHBondContact OG-CA 3.39Å; S280-A284 WeakPolarHBondContact OG-CB 3.4Å
281L77.6Confident92.6Very high7 Ų725.7 Ų25.74%0.03714%0.137CC..SBendtrans-112.1-59.2174-178.965.7000109.9W24 S25 T83 N87 V273W24-L281 HydrophobicContact CE3-CD1 4.32Å; W24-L281 HydrophobicContact CE3-CG 4.35Å; W24-L281 HydrophobicContact CZ3-CD1 3.91Å; W24-L281 HydrophobicContact CZ3-CD2 4.35Å; W24-L281 HydrophobicContact CZ3-CG 3.86Å; S25-L281 VanDerWaalsContact CB-O 3.32Å; S25-L281 WeakPolarHBondContact CB-O 3.43Å; S25-L281 PolarHBondContact N-O 2.85Å; T83-L281 HydrophobicContact CG2-CD1 4.27Å; N87-L281 HydrophobicContact CB-CD1 3.92Å; V273-L281 HydrophobicContact CG1-CD2 4Å
282I76.3Confident92.6Very high9 Ų929.8 Ų29.85%0.04615%0.153CC..SBendtrans-108-50.8175.4-64.7170.3000109.2F22 W24 I269 M272F22-I282 HydrophobicContact CB-CG2 3.26Å; F22-I282 HydrophobicContact CG-CG2 4.33Å; F22-I282 WeakPolarHBondContact O-CG2 3.44Å; W24-I282 HydrophobicContact CE3-CG1 4.07Å; W24-I282 HydrophobicContact CZ3-CG1 4.01Å; I269-I282 HydrophobicContact CD1-CG2 4.36Å; I269-I282 HydrophobicContact CG2-CB 4.5Å; I269-I282 HydrophobicContact CG2-CD1 4.49Å; I269-I282 HydrophobicContact CG2-CG2 4.32Å; M272-I282 HydrophobicContact CE-CD1 3.38Å
283L80.6Confident92.8Very high34 Ų3429.8 Ų29.818%0.17815%0.153CC..SBendtrans-121.5150172.8-73.8172.6000109.9F22 F266 L285F22-L283 HydrophobicContact CB-CG 4.44Å; F22-L283 HydrophobicContact CD1-CD1 3.6Å; F22-L283 HydrophobicContact CD1-CD2 3.58Å; F22-L283 HydrophobicContact CD1-CG 3.72Å; F22-L283 HydrophobicContact CE1-CD1 3.66Å; F22-L283 HydrophobicContact CE1-CD2 4.11Å; F22-L283 HydrophobicContact CE1-CG 4.26Å; F22-L283 HydrophobicContact CG-CD1 4.2Å; F22-L283 HydrophobicContact CG-CD2 4.47Å; F22-L283 HydrophobicContact CG-CG 4.26Å; F22-L283 HydrophobicContact CZ-CD1 4.3Å; F266-L283 HydrophobicContact CD2-CD1 4.35Å; F266-L283 HydrophobicContact CE2-CD1 4.14Å; L283-L285 HydrophobicContact CB-CD1 4.2Å; L283-L285 HydrophobicContact CB-CD2 4.16Å; L283-L285 HydrophobicContact CB-CG 3.86Å; L283-L285 PolarHBondContact O-N 3.44Å
284A89.1Confident92.9Very high34 Ų3429.6 Ų29.628%0.28115%0.152SC..EExtended strand (participates in β ladder)trans-73.8111164.200000108.7A279 S280 T324A279-A284 WeakPolarHBondContact O-CA 3.25Å; S280-A284 WeakPolarHBondContact OG-CA 3.39Å; S280-A284 WeakPolarHBondContact OG-CB 3.4Å; A284-T324 HydrophobicContact CB-CG2 3.64Å
285L93.3Very high92.9Very high6 Ų633.4 Ų33.43%0.03118%0.176CC..EExtended strand (participates in β ladder)trans-125.6150.9-175.5-66.9171.8000110.6I270 V273 P278 A279 L283 P289 L320I270-L285 HydrophobicContact CG2-CD1 4.11Å; I270-L285 HydrophobicContact CG2-CD2 4.45Å; V273-L285 HydrophobicContact CG2-CD1 3.46Å; V273-L285 VanDerWaalsContact CG2-CD1 3.46Å; P278-L285 VanDerWaalsContact CA-O 3.32Å; P278-L285 WeakPolarHBondContact CA-O 3.25Å; A279-L285 PolarHBondContact N-O 3.19Å; A279-L285 VanDerWaalsContact N-O 3.1Å; A279-L285 PolarHBondContact O-N 3.06Å; L283-L285 HydrophobicContact CB-CD1 4.2Å; L283-L285 HydrophobicContact CB-CD2 4.16Å; L283-L285 HydrophobicContact CB-CG 3.86Å; L283-L285 PolarHBondContact O-N 3.44Å; L285-P289 HydrophobicContact CB-CB 4.22Å; L285-P289 HydrophobicContact CB-CG 4.45Å; L285-P289 HydrophobicContact CD1-CB 4.21Å; L285-P289 HydrophobicContact CD1-CG 4.23Å; L285-P289 HydrophobicContact CD2-CB 4.48Å; L285-L320 HydrophobicContact CD2-CB 4.39Å; L285-L320 HydrophobicContact CD2-CD2 4.12Å
286P95.2Very high92.7Very high5 Ų535 Ų353%0.03219%0.185CC..  trans-68.3176.5172.730.6-35.2000111.3P289 Y292 L320 Y323P286-P289 WeakPolarHBondContact O-CD 3.47Å; P286-Y292 HydrophobicContact CB-CD2 4.09Å; P286-Y292 HydrophobicContact CB-CE2 4.47Å; P286-Y292 HydrophobicContact CG-CD1 4.31Å; P286-Y292 HydrophobicContact CG-CD2 3.66Å; P286-Y292 HydrophobicContact CG-CE2 4.18Å; P286-Y292 HydrophobicContact CG-CG 3.73Å; P286-L320 HydrophobicContact CG-CD2 3.61Å; P286-Y323 HydrophobicContact CB-CD2 4.36Å; P286-Y323 HydrophobicContact CB-CE1 4.43Å; P286-Y323 HydrophobicContact CB-CE2 3.71Å; P286-Y323 HydrophobicContact CG-CD2 4.23Å; P286-Y323 HydrophobicContact CG-CE2 4.07Å
287E95.7Very high92.6Very high98 Ų9834.6 Ų34.646%0.45818%0.182SC..SBendtrans-58.3144.7163.368.3-83.4-170.500111.7P276P276-E287 WeakPolarHBondContact O-CB 3.17Å
288W97.2Very high92.4Very high54 Ų5436.9 Ų36.921%0.20520%0.2CC..SBendtrans45.159.3177.4-59.8113.3000113.1Y214 N274 Y275 P276 V290 K291 Y292 I414 D438Y214-W288 HydrophobicContact CD1-CD2 4.24Å; Y214-W288 AromaticContact CD1-CE3 3.82Å; Y214-W288 HydrophobicContact CD1-CE3 3.82Å; Y214-W288 HydrophobicContact CD1-CZ3 4.2Å; Y214-W288 AromaticContact CE1-CD2 3.85Å; Y214-W288 HydrophobicContact CE1-CD2 3.85Å; Y214-W288 AromaticContact CE1-CE3 3.36Å; Y214-W288 HydrophobicContact CE1-CE3 3.36Å; Y214-W288 AromaticContact CE1-CH2 3.73Å; Y214-W288 HydrophobicContact CE1-CH2 3.73Å; Y214-W288 HydrophobicContact CE1-CZ2 4.16Å; Y214-W288 AromaticContact CE1-CZ3 3.31Å; Y214-W288 HydrophobicContact CE1-CZ3 3.31Å; Y214-W288 HydrophobicContact CE2-CZ3 4.33Å; Y214-W288 AromaticContact CZ-CE3 3.91Å; Y214-W288 AromaticContact CZ-CH2 3.81Å; Y214-W288 AromaticContact CZ-CZ3 3.4Å; Y214-W288 VanDerWaalsContact CZ-CZ3 3.4Å; Y214-W288 VanDerWaalsContact OH-CH2 3.23Å; Y214-W288 WeakPolarHBondContact OH-CH2 3.43Å; Y214-W288 VanDerWaalsContact OH-CZ3 3.25Å; Y214-W288 WeakPolarHBondContact OH-CZ3 3.39Å; N274-W288 WeakPolarHBondContact O-CZ3 3.4Å; N274-W288 VanDerWaalsContact OD1-C 3.31Å; N274-W288 WeakPolarHBondContact OD1-CA 3.4Å; Y275-W288 PolarHBondContact O-N 2.98Å; P276-W288 HydrophobicContact CB-CH2 4.09Å; P276-W288 HydrophobicContact CB-CZ2 3.48Å; P276-W288 VanDerWaalsContact CB-CZ2 3.48Å; W288-V290 PolarHBondContact O-N 3.5Å; W288-V290 VanDerWaalsContact O-N 3.08Å; W288-K291 HydrophobicContact CB-CB 3.88Å; W288-K291 WeakPolarHBondContact O-CA 3.45Å; W288-K291 WeakPolarHBondContact O-CB 3.26Å; W288-K291 PolarHBondContact O-N 2.99Å; W288-Y292 PolarHBondContact O-N 3.4Å; W288-I414 HydrophobicContact CZ3-CD1 3.97Å; W288-D438 HydrophobicContact CH2-CB 4.26Å; W288-D438 WeakPolarHBondContact CH2-O 3.29Å
289P97Very high92.3Very high1 Ų140.7 Ų40.71%0.00621%0.212CC..Hα-helixtrans-56.7-29.8-174.223.1-35.3000113.5I270 N274 L285 P286 Y292 L293 L320I270-P289 HydrophobicContact CB-CB 4.26Å; I270-P289 HydrophobicContact CB-CG 4.46Å; N274-P289 VanDerWaalsContact OD1-CD 3.3Å; N274-P289 WeakPolarHBondContact OD1-CD 3.36Å; L285-P289 HydrophobicContact CB-CB 4.22Å; L285-P289 HydrophobicContact CB-CG 4.45Å; L285-P289 HydrophobicContact CD1-CB 4.21Å; L285-P289 HydrophobicContact CD1-CG 4.23Å; L285-P289 HydrophobicContact CD2-CB 4.48Å; P286-P289 WeakPolarHBondContact O-CD 3.47Å; P289-Y292 PolarHBondContact O-N 3.05Å; P289-L293 WeakPolarHBondContact O-CB 3.48Å; P289-L293 PolarHBondContact O-N 3.2Å; P289-L320 HydrophobicContact CB-CD1 4.41Å; P289-L320 HydrophobicContact CB-CD2 4.34Å; P289-L320 WeakPolarHBondContact O-CD1 3.47Å
290V97.5Very high92.2Very high0 Ų043.5 Ų43.50%022%0.22CC..Hα-helixtrans-62.7-47.6172.6174.20000111F211 I270 N274 W288 Y292 L293 C294F211-V290 HydrophobicContact CB-CG1 4.34Å; F211-V290 HydrophobicContact CD1-CG1 3.8Å; F211-V290 HydrophobicContact CD2-CG1 4Å; F211-V290 HydrophobicContact CD2-CG2 4.38Å; F211-V290 HydrophobicContact CE1-CG1 4.08Å; F211-V290 HydrophobicContact CE2-CG1 4.28Å; F211-V290 HydrophobicContact CE2-CG2 4.05Å; F211-V290 HydrophobicContact CG-CG1 3.78Å; F211-V290 HydrophobicContact CZ-CG1 4.33Å; F211-V290 HydrophobicContact CZ-CG2 4.26Å; I270-V290 HydrophobicContact CD1-CG2 4.46Å; I270-V290 HydrophobicContact CG1-CG2 4.32Å; N274-V290 HydrophobicContact CB-CG2 4Å; N274-V290 PolarHBondContact OD1-N 3.27Å; W288-V290 PolarHBondContact O-N 3.5Å; W288-V290 VanDerWaalsContact O-N 3.08Å; V290-Y292 VanDerWaalsContact C-N 3.32Å; V290-Y292 PolarHBondContact O-N 3.47Å; V290-L293 PolarHBondContact O-N 3Å; V290-C294 WeakPolarHBondContact O-CB 3.45Å; V290-C294 PolarHBondContact O-N 3.28Å; V290-C294 VanDerWaalsContact O-N 3.08Å; V290-C294 PolarHBondContact O-SG 2.87Å
291K97.6Very high92.5Very high124 Ų12445.4 Ų45.454%0.53923%0.227SC..Hα-helixtrans-61.9-43.1175.6-177.1178.5179.3-179.60110.8W288 C294 T295W288-K291 HydrophobicContact CB-CB 3.88Å; W288-K291 WeakPolarHBondContact O-CA 3.45Å; W288-K291 WeakPolarHBondContact O-CB 3.26Å; W288-K291 PolarHBondContact O-N 2.99Å; K291-C294 PolarHBondContact O-N 2.86Å; K291-T295 WeakPolarHBondContact O-CG2 3.42Å; K291-T295 PolarHBondContact O-N 3.16Å
292Y96.9Very high93Very high86 Ų8648.5 Ų48.534%0.33725%0.248SC..Hα-helixtrans-59.2-50.7178.1-170.8-77.9000111.6P286 W288 P289 V290 C294 T295 L320P286-Y292 HydrophobicContact CB-CD2 4.09Å; P286-Y292 HydrophobicContact CB-CE2 4.47Å; P286-Y292 HydrophobicContact CG-CD1 4.31Å; P286-Y292 HydrophobicContact CG-CD2 3.66Å; P286-Y292 HydrophobicContact CG-CE2 4.18Å; P286-Y292 HydrophobicContact CG-CG 3.73Å; W288-Y292 PolarHBondContact O-N 3.4Å; P289-Y292 PolarHBondContact O-N 3.05Å; V290-Y292 VanDerWaalsContact C-N 3.32Å; V290-Y292 PolarHBondContact O-N 3.47Å; Y292-C294 VanDerWaalsContact C-N 3.28Å; Y292-C294 PolarHBondContact O-N 2.71Å; Y292-T295 WeakPolarHBondContact O-CB 3.05Å; Y292-T295 WeakPolarHBondContact O-CG2 3.38Å; Y292-T295 PolarHBondContact O-N 2.76Å; Y292-T295 PolarHBondContact O-OG1 3.4Å; Y292-L320 HydrophobicContact CD1-CD1 4.44Å; Y292-L320 HydrophobicContact CD1-CD2 3.35Å; Y292-L320 HydrophobicContact CD1-CG 3.67Å; Y292-L320 HydrophobicContact CE1-CD2 3.89Å; Y292-L320 HydrophobicContact CE1-CG 4.16Å; Y292-L320 HydrophobicContact CG-CD2 3.91Å
293L97.3Very high93.8Very high0 Ų056 Ų560%028%0.283CS..Hα-helixtrans-54.1-49.4176.1-172.7147.8000110.7F211 I223 F266 L267 I270 P289 V290 T295 N296 L297 A316 L320F211-L293 HydrophobicContact CE1-CD2 4.43Å; I223-L293 HydrophobicContact CD1-CD2 4.1Å; F266-L293 HydrophobicContact CD1-CD1 4.49Å; F266-L293 HydrophobicContact CE1-CD1 3.68Å; L267-L293 HydrophobicContact CD2-CD1 4.27Å; I270-L293 HydrophobicContact CD1-CB 4.11Å; I270-L293 HydrophobicContact CD1-CD1 3.47Å; I270-L293 VanDerWaalsContact CD1-CD1 3.47Å; I270-L293 HydrophobicContact CD1-CG 4.36Å; P289-L293 WeakPolarHBondContact O-CB 3.48Å; P289-L293 PolarHBondContact O-N 3.2Å; V290-L293 PolarHBondContact O-N 3Å; L293-T295 PolarHBondContact O-N 2.84Å; L293-T295 VanDerWaalsContact O-N 3.16Å; L293-N296 PolarHBondContact O-N 3.39Å; L293-L297 HydrophobicContact CD2-CD1 3.66Å; L293-A316 HydrophobicContact CD2-CB 4.16Å; L293-A316 HydrophobicContact CG-CB 4.02Å; L293-L320 HydrophobicContact CB-CD1 3.65Å; L293-L320 HydrophobicContact CD1-CD1 4.12Å; L293-L320 HydrophobicContact CG-CD1 4.3Å
294C97.7Very high94.3Very high4 Ų456.6 Ų56.63%0.02728%0.284CS..Hα-helixtrans-69.4-10.9-174.3-710000114.4G215 C219 V290 K291 Y292 N296 L297 S298G215-C294 VanDerWaalsContact CA-CB 3.43Å; G215-C294 WeakPolarHBondContact CA-SG 3.4Å; C219-C294 HydrophobicContact CB-CB 3.56Å; C219-C294 WeakPolarHBondContact CB-SG 3.41Å; C219-C294 WeakPolarHBondContact SG-CA 3.33Å; C219-C294 WeakPolarHBondContact SG-CB 3.32Å; C219-C294 CovalentContact SG-SG 2.03Å; C219-C294 PolarHBondContact SG-SG 2.88Å; V290-C294 WeakPolarHBondContact O-CB 3.45Å; V290-C294 PolarHBondContact O-N 3.28Å; V290-C294 VanDerWaalsContact O-N 3.08Å; V290-C294 PolarHBondContact O-SG 2.87Å; K291-C294 PolarHBondContact O-N 2.86Å; Y292-C294 VanDerWaalsContact C-N 3.28Å; Y292-C294 PolarHBondContact O-N 2.71Å; C294-N296 PolarHBondContact O-N 2.89Å; C294-L297 CarbonylContact O-C 3.05Å; C294-L297 PolarHBondContact O-N 3.21Å; C294-S298 PolarHBondContact O-N 3.45Å
295T95.7Very high94.5Very high80 Ų8058.8 Ų58.849%0.49130%0.296SS..Hα-helixtrans-57.4-39.7172.161.50000111.9K291 Y292 L293 L297 S298K291-T295 WeakPolarHBondContact O-CG2 3.42Å; K291-T295 PolarHBondContact O-N 3.16Å; Y292-T295 WeakPolarHBondContact O-CB 3.05Å; Y292-T295 WeakPolarHBondContact O-CG2 3.38Å; Y292-T295 PolarHBondContact O-N 2.76Å; Y292-T295 PolarHBondContact O-OG1 3.4Å; L293-T295 PolarHBondContact O-N 2.84Å; L293-T295 VanDerWaalsContact O-N 3.16Å; T295-L297 VanDerWaalsContact C-N 3.27Å; T295-L297 PolarHBondContact O-N 3.1Å; T295-S298 PolarHBondContact O-OG 3.11Å
296N93.3Very high94.6Very high36 Ų3661 Ų6119%0.19331%0.309CS..THydrogen-bonded Turntrans-78-8.5177.3-74.3-62000113.6L293 C294 K315 A316L293-N296 PolarHBondContact O-N 3.39Å; C294-N296 PolarHBondContact O-N 2.89Å; N296-K315 WeakPolarHBondContact OD1-CE 3.41Å; N296-K315 PolarHBondContact OD1-NZ 2.99Å; N296-A316 HydrophobicContact CB-CB 3.73Å
297L96.2Very high94.5Very high2 Ų264 Ų641%0.0133%0.327CS..THydrogen-bonded Turntrans-122.519.7-176.8-58.1-179.4000112.5N218 C219 N222 I223 L293 C294 T295 E299 L312 L313 A316N218-L297 CarbonylContact C-O 3.57Å; C219-L297 WeakPolarHBondContact CA-O 3.47Å; C219-L297 HydrophobicContact CB-CB 4.23Å; C219-L297 PolarHBondContact N-O 3.39Å; N222-L297 HydrophobicContact CB-CB 4.31Å; N222-L297 HydrophobicContact CB-CD2 4.28Å; N222-L297 PolarHBondContact ND2-O 2.9Å; N222-L297 VanDerWaalsContact ND2-O 3.08Å; I223-L297 HydrophobicContact CD1-CD1 4.03Å; I223-L297 HydrophobicContact CG1-CD1 3.77Å; L293-L297 HydrophobicContact CD2-CD1 3.66Å; C294-L297 CarbonylContact O-C 3.05Å; C294-L297 PolarHBondContact O-N 3.21Å; T295-L297 VanDerWaalsContact C-N 3.27Å; T295-L297 PolarHBondContact O-N 3.1Å; L297-E299 VanDerWaalsContact C-N 3.32Å; L297-E299 PolarHBondContact O-N 2.77Å; L297-L312 HydrophobicContact CD2-CB 3.99Å; L297-L313 HydrophobicContact CD1-CD1 4.02Å; L297-A316 HydrophobicContact CD1-CB 4.26Å; L297-A316 HydrophobicContact CD2-CB 4.47Å; L297-A316 HydrophobicContact CG-CB 4.07Å
298S92.6Very high94.5Very high68 Ų6861.9 Ų61.948%0.47632%0.321SS..SBendtrans-72.5-23.6-17351.50000113.5N218 C294 T295N218-S298 VanDerWaalsContact CB-O 3.24Å; N218-S298 WeakPolarHBondContact CB-O 3.31Å; N218-S298 PolarHBondContact ND2-O 2.65Å; C294-S298 PolarHBondContact O-N 3.45Å; T295-S298 PolarHBondContact O-OG 3.11Å
299E92Very high94.3Very high157 Ų15760.8 Ų60.873%0.73432%0.317SS*.  trans-104.4140.4172.8-64.8-175178.100110.8N222 L297N222-E299 PolarHBondContact ND2-O 3.31Å; L297-E299 VanDerWaalsContact C-N 3.32Å; L297-E299 PolarHBondContact O-N 2.77Å
300Y91.2Very high94.2Very high74 Ų7460.8 Ų60.829%0.2932%0.317SS..  trans-123.9117.8172.2170.7-108.2000109.1K221 N222 L225 P302K221-Y300 HydrophobicContact CB-CD2 4.28Å; K221-Y300 HydrophobicContact CB-CG 4.31Å; K221-Y300 HydrophobicContact CD-CD1 4.26Å; N222-Y300 WeakPolarHBondContact OD1-CD2 3.44Å; L225-Y300 HydrophobicContact CD1-CE2 3.42Å; L225-Y300 VanDerWaalsContact CD1-CE2 3.42Å; L225-Y300 VanDerWaalsContact CD1-OH 3.27Å; L225-Y300 WeakPolarHBondContact CD1-OH 3.21Å; Y300-P302 HydrophobicContact CE1-CB 4.14Å; Y300-P302 HydrophobicContact CE1-CG 4.27Å
301D92.4Very high94.1Very high74 Ų7463.6 Ų63.640%0.39634%0.336SS..  trans-118.4111171.2177.910.4000110Q303 Q304 R309D301-Q303 PolarHBondContact O-N 2.04Å; D301-Q303 WeakPolarHBondContact OD1-CB 3.44Å; D301-Q303 PolarHBondContact OD1-N 3.33Å; D301-Q304 HydrophobicContact CB-CB 3.96Å; D301-Q304 VanDerWaalsContact O-CB 3.32Å; D301-Q304 WeakPolarHBondContact O-CB 3.48Å; D301-Q304 PolarHBondContact O-N 2.97Å; D301-Q304 PolarHBondContact OD2-N 3.18Å; D301-R309 PolarHBondContact O-NH1 3.2Å
302P87.9Confident94Very high72 Ų7260 Ų6047%0.46832%0.323SS..THydrogen-bonded Turntrans-63.3-25.317725.2-32.7000113.1Y300 R309Y300-P302 HydrophobicContact CE1-CB 4.14Å; Y300-P302 HydrophobicContact CE1-CG 4.27Å; P302-R309 PolarHBondContact O-NH1 3.26Å
303Q92.5Very high94Very high168 Ų16856.2 Ų56.279%0.78531%0.308SS*.THydrogen-bonded Turntrans-83.9-13.7-179.6-57.4-62.1-600113.2D301D301-Q303 PolarHBondContact O-N 2.04Å; D301-Q303 WeakPolarHBondContact OD1-CB 3.44Å; D301-Q303 PolarHBondContact OD1-N 3.33Å
304Q91.8Very high94Very high46 Ų4656.2 Ų56.222%0.21531%0.309CS..SBendtrans-60.9140.1177.2-171.6173.44100110.7D301 V306 T308 R309D301-Q304 HydrophobicContact CB-CB 3.96Å; D301-Q304 VanDerWaalsContact O-CB 3.32Å; D301-Q304 WeakPolarHBondContact O-CB 3.48Å; D301-Q304 PolarHBondContact O-N 2.97Å; D301-Q304 PolarHBondContact OD2-N 3.18Å; Q304-V306 PolarHBondContact O-N 3.24Å; Q304-T308 HydrophobicContact CG-CG2 3.89Å; Q304-R309 HydrophobicContact CB-CG 4.27Å; Q304-R309 HydrophobicContact CG-CG 4.29Å; Q304-R309 VanDerWaalsContact O-CZ 3.31Å; Q304-R309 PolarHBondContact O-NH1 3.31Å
305P94.4Very high93.9Very high80 Ų8061.9 Ų61.952%0.51933%0.333SS..  trans-56.4140.2177-25.934.7000112V307 T308 R309P305-V307 VanDerWaalsContact C-N 3.25Å; P305-V307 PolarHBondContact O-N 3.34Å; P305-T308 WeakPolarHBondContact O-CA 3.23Å; P305-T308 WeakPolarHBondContact O-CB 3.29Å; P305-T308 PolarHBondContact O-N 3.36Å; P305-R309 PolarHBondContact O-N 3.45Å; P305-R309 VanDerWaalsContact O-N 3.14Å
306V93.9Very high94Very high52 Ų5258 Ų5832%0.31531%0.309SS..Hα-helixtrans-51.7-45.6-179.8173.90000111.7N229 I233 Q304 T308 R309 I310N229-V306 HydrophobicContact CB-CG1 3.54Å; N229-V306 VanDerWaalsContact CG-CG1 3.49Å; I233-V306 HydrophobicContact CD1-CG1 4.09Å; I233-V306 HydrophobicContact CG1-CG1 4.4Å; Q304-V306 PolarHBondContact O-N 3.24Å; V306-T308 PolarHBondContact O-N 3.03Å; V306-R309 VanDerWaalsContact CG2-NH2 3.34Å; V306-R309 PolarHBondContact O-N 2.95Å; V306-R309 VanDerWaalsContact O-N 3.15Å; V306-I310 HydrophobicContact CG1-CG1 4.49Å; V306-I310 PolarHBondContact O-N 2.65Å
307V94.6Very high94.1Very high67 Ų6756.4 Ų56.441%0.40630%0.301SS..Hα-helixtrans-53.6-40.7175.9169.50000111.8L242 M246 P305 S311L242-V307 HydrophobicContact CD2-CG1 4.41Å; L242-V307 HydrophobicContact CD2-CG2 4.26Å; M246-V307 HydrophobicContact CE-CB 4.31Å; M246-V307 HydrophobicContact CE-CG1 3.4Å; M246-V307 WeakPolarHBondContact CE-O 3.44Å; P305-V307 VanDerWaalsContact C-N 3.25Å; P305-V307 PolarHBondContact O-N 3.34Å; V307-S311 WeakPolarHBondContact O-CB 3.28Å; V307-S311 PolarHBondContact O-N 2.85Å
308T94Very high94Very high55 Ų5558.3 Ų58.334%0.33731%0.311SS..Hα-helixtrans-72.3-40.8179.9-48.50000111.4Q304 P305 V306 I310 S311 L312Q304-T308 HydrophobicContact CG-CG2 3.89Å; P305-T308 WeakPolarHBondContact O-CA 3.23Å; P305-T308 WeakPolarHBondContact O-CB 3.29Å; P305-T308 PolarHBondContact O-N 3.36Å; V306-T308 PolarHBondContact O-N 3.03Å; T308-I310 VanDerWaalsContact C-N 3.35Å; T308-I310 PolarHBondContact O-N 3.49Å; T308-S311 WeakPolarHBondContact O-CB 3.08Å; T308-S311 PolarHBondContact O-N 2.92Å; T308-L312 WeakPolarHBondContact O-CG 3.34Å; T308-L312 PolarHBondContact O-N 2.72Å
309R93.1Very high94Very high31 Ų3156.5 Ų56.512%0.11730%0.298CS..Hα-helixtrans-61.3-42.1174.2-71.2-168.6-67.2-105.2-1.8112.5D301 P302 Q304 P305 V306 L312 L313D301-R309 PolarHBondContact O-NH1 3.2Å; P302-R309 PolarHBondContact O-NH1 3.26Å; Q304-R309 HydrophobicContact CB-CG 4.27Å; Q304-R309 HydrophobicContact CG-CG 4.29Å; Q304-R309 VanDerWaalsContact O-CZ 3.31Å; Q304-R309 PolarHBondContact O-NH1 3.31Å; P305-R309 PolarHBondContact O-N 3.45Å; P305-R309 VanDerWaalsContact O-N 3.14Å; V306-R309 VanDerWaalsContact CG2-NH2 3.34Å; V306-R309 PolarHBondContact O-N 2.95Å; V306-R309 VanDerWaalsContact O-N 3.15Å; R309-L312 PolarHBondContact O-N 3.17Å; R309-L313 PolarHBondContact O-N 2.96Å; R309-L313 VanDerWaalsContact O-N 3.11Å
310I96.1Very high94.1Very high1 Ų149.1 Ų49.11%0.00526%0.263CS..Hα-helixtrans-68.1-36.7176-64-50.9000111.6N229 I230 I233 L243 M246 F247 V306 T308 L312 L313 A314N229-I310 HydrophobicContact CB-CD1 3.74Å; N229-I310 HydrophobicContact CB-CG1 3.97Å; I230-I310 HydrophobicContact CD1-CD1 4.39Å; I230-I310 HydrophobicContact CG1-CD1 3.8Å; I230-I310 HydrophobicContact CG1-CG1 4.43Å; I230-I310 HydrophobicContact CG1-CG2 4.41Å; I233-I310 HydrophobicContact CD1-CB 4.3Å; I233-I310 HydrophobicContact CD1-CG1 3.93Å; L243-I310 HydrophobicContact CD2-CG2 3.89Å; M246-I310 HydrophobicContact SD-CB 4.41Å; M246-I310 HydrophobicContact SD-CG2 3.89Å; F247-I310 HydrophobicContact CE2-CG2 3.71Å; F247-I310 HydrophobicContact CZ-CG2 4.21Å; V306-I310 HydrophobicContact CG1-CG1 4.49Å; V306-I310 PolarHBondContact O-N 2.65Å; T308-I310 VanDerWaalsContact C-N 3.35Å; T308-I310 PolarHBondContact O-N 3.49Å; I310-L312 VanDerWaalsContact C-N 3.32Å; I310-L312 PolarHBondContact O-N 3.12Å; I310-L313 PolarHBondContact O-N 2.94Å; I310-A314 WeakPolarHBondContact O-CB 3.28Å; I310-A314 PolarHBondContact O-N 2.93Å
311S95.6Very high94.1Very high58 Ų5846.1 Ų46.141%0.40625%0.253SS..Hα-helixtrans-62.1-37.2173179.30000112.7V307 T308 A314 K315V307-S311 WeakPolarHBondContact O-CB 3.28Å; V307-S311 PolarHBondContact O-N 2.85Å; T308-S311 WeakPolarHBondContact O-CB 3.08Å; T308-S311 PolarHBondContact O-N 2.92Å; S311-A314 PolarHBondContact O-N 3.29Å; S311-K315 WeakPolarHBondContact O-CB 3.3Å; S311-K315 PolarHBondContact O-N 3.42Å
312L95.7Very high94Very high48 Ų4845.5 Ų45.525%0.25125%0.249SC..Hα-helixtrans-64.9-42.6173-68.8173.7000112.1L297 T308 R309 I310 K315 A316L297-L312 HydrophobicContact CD2-CB 3.99Å; T308-L312 WeakPolarHBondContact O-CG 3.34Å; T308-L312 PolarHBondContact O-N 2.72Å; R309-L312 PolarHBondContact O-N 3.17Å; I310-L312 VanDerWaalsContact C-N 3.32Å; I310-L312 PolarHBondContact O-N 3.12Å; L312-K315 PolarHBondContact O-N 3.08Å; L312-A316 WeakPolarHBondContact O-CB 3.17Å; L312-A316 PolarHBondContact O-N 2.61Å
313L96.8Very high94Very high7 Ų746.5 Ų46.54%0.03725%0.245CC..Hα-helixtrans-61.2-46.4173.6177.762.8000111.5I223 S226 I230 F247 L263 L297 R309 I310 K315 A316 V317I223-L313 HydrophobicContact CG1-CD1 4.29Å; S226-L313 WeakPolarHBondContact OG-CD2 3.21Å; I230-L313 HydrophobicContact CD1-CD2 4.31Å; F247-L313 HydrophobicContact CE1-CG 4.4Å; F247-L313 HydrophobicContact CZ-CD2 4.27Å; F247-L313 HydrophobicContact CZ-CG 4.27Å; L263-L313 HydrophobicContact CD1-CD2 4.44Å; L297-L313 HydrophobicContact CD1-CD1 4.02Å; R309-L313 PolarHBondContact O-N 2.96Å; R309-L313 VanDerWaalsContact O-N 3.11Å; I310-L313 PolarHBondContact O-N 2.94Å; L313-K315 VanDerWaalsContact C-N 3.32Å; L313-K315 PolarHBondContact O-N 2.78Å; L313-A316 WeakPolarHBondContact O-CB 3.26Å; L313-A316 PolarHBondContact O-N 2.8Å; L313-A316 VanDerWaalsContact O-N 3.12Å; L313-V317 HydrophobicContact CD1-CG2 4.14Å; L313-V317 HydrophobicContact CG-CG2 4.43Å; L313-V317 WeakPolarHBondContact O-CG2 3.38Å; L313-V317 PolarHBondContact O-N 3.35Å
314A96.8Very high93.7Very high1 Ų142.1 Ų42.11%0.00823%0.23CC..Hα-helixtrans-59.4-44.1177.900000111.5M246 F247 I310 S311 A316 V317 L318M246-A314 HydrophobicContact CB-CB 4.18Å; M246-A314 WeakPolarHBondContact O-CB 3.49Å; F247-A314 HydrophobicContact CD1-CB 3.74Å; F247-A314 HydrophobicContact CD2-CB 3.96Å; F247-A314 HydrophobicContact CE1-CB 3.76Å; F247-A314 HydrophobicContact CE2-CB 3.99Å; F247-A314 HydrophobicContact CG-CB 3.85Å; F247-A314 HydrophobicContact CZ-CB 3.89Å; I310-A314 WeakPolarHBondContact O-CB 3.28Å; I310-A314 PolarHBondContact O-N 2.93Å; S311-A314 PolarHBondContact O-N 3.29Å; A314-A316 VanDerWaalsContact C-N 3.34Å; A314-A316 PolarHBondContact O-N 2.96Å; A314-V317 PolarHBondContact O-N 3.25Å; A314-L318 VanDerWaalsContact O-CB 3.29Å; A314-L318 WeakPolarHBondContact O-CB 3.46Å; A314-L318 VanDerWaalsContact O-CG 3.23Å; A314-L318 WeakPolarHBondContact O-CG 3.47Å; A314-L318 PolarHBondContact O-N 3.31Å
315K95.8Very high93.5Very high122 Ų12242.5 Ų42.553%0.5325%0.246SC..Hα-helixtrans-59-43.5173.6-174.3-174.4177.5-162.10112.1N296 S311 L312 L313 S319N296-K315 WeakPolarHBondContact OD1-CE 3.41Å; N296-K315 PolarHBondContact OD1-NZ 2.99Å; S311-K315 WeakPolarHBondContact O-CB 3.3Å; S311-K315 PolarHBondContact O-N 3.42Å; L312-K315 PolarHBondContact O-N 3.08Å; L313-K315 VanDerWaalsContact C-N 3.32Å; L313-K315 PolarHBondContact O-N 2.78Å; K315-S319 WeakPolarHBondContact O-CB 3.1Å; K315-S319 PolarHBondContact O-N 2.97Å
316A96.5Very high93Very high0 Ų045.2 Ų45.20%026%0.256CS..Hα-helixtrans-61.9-47.4178.100000111.6L293 N296 L297 L312 L313 A314 S319L293-A316 HydrophobicContact CD2-CB 4.16Å; L293-A316 HydrophobicContact CG-CB 4.02Å; N296-A316 HydrophobicContact CB-CB 3.73Å; L297-A316 HydrophobicContact CD1-CB 4.26Å; L297-A316 HydrophobicContact CD2-CB 4.47Å; L297-A316 HydrophobicContact CG-CB 4.07Å; L312-A316 WeakPolarHBondContact O-CB 3.17Å; L312-A316 PolarHBondContact O-N 2.61Å; L313-A316 WeakPolarHBondContact O-CB 3.26Å; L313-A316 PolarHBondContact O-N 2.8Å; L313-A316 VanDerWaalsContact O-N 3.12Å; A314-A316 VanDerWaalsContact C-N 3.34Å; A314-A316 PolarHBondContact O-N 2.96Å; A316-S319 PolarHBondContact O-N 2.63Å; A316-S319 PolarHBondContact O-OG 3.37Å
317V95.8Very high92.4Very high1 Ų147.6 Ų47.61%0.00626%0.264CS..Hα-helixtrans-64.3-45.91781730000111.2F247 Y262 L263 F266 L313 A314 S319 L320 T321 L330F247-V317 HydrophobicContact CE1-CG2 4.41Å; Y262-V317 HydrophobicContact CE1-CG1 4.42Å; L263-V317 HydrophobicContact CD2-CB 4.4Å; L263-V317 HydrophobicContact CD2-CG1 4.02Å; L263-V317 HydrophobicContact CD2-CG2 3.67Å; F266-V317 HydrophobicContact CD1-CG1 4.17Å; F266-V317 HydrophobicContact CD1-CG2 4.26Å; F266-V317 HydrophobicContact CE1-CB 4.34Å; F266-V317 HydrophobicContact CE1-CG1 4.08Å; F266-V317 HydrophobicContact CE1-CG2 4.14Å; L313-V317 HydrophobicContact CD1-CG2 4.14Å; L313-V317 HydrophobicContact CG-CG2 4.43Å; L313-V317 WeakPolarHBondContact O-CG2 3.38Å; L313-V317 PolarHBondContact O-N 3.35Å; A314-V317 PolarHBondContact O-N 3.25Å; V317-S319 VanDerWaalsContact C-N 3.31Å; V317-S319 PolarHBondContact O-N 3.02Å; V317-L320 PolarHBondContact O-N 2.79Å; V317-T321 HydrophobicContact CG1-CG2 3.91Å; V317-T321 WeakPolarHBondContact O-CB 3.27Å; V317-T321 WeakPolarHBondContact O-CG2 3.36Å; V317-T321 PolarHBondContact O-N 2.7Å; V317-T321 PolarHBondContact O-OG1 3.32Å; V317-L330 HydrophobicContact CG1-CD1 4.17Å
318L94.5Very high92.1Very high43 Ų4350 Ų5023%0.22528%0.279CS..Hα-helixtrans-63.3-34.3179.7-73.4171.7000113N248 A314 L320 T321 N322 L330N248-L318 HydrophobicContact CB-CD1 4.28Å; N248-L318 HydrophobicContact CB-CD2 4.12Å; A314-L318 VanDerWaalsContact O-CB 3.29Å; A314-L318 WeakPolarHBondContact O-CB 3.46Å; A314-L318 VanDerWaalsContact O-CG 3.23Å; A314-L318 WeakPolarHBondContact O-CG 3.47Å; A314-L318 PolarHBondContact O-N 3.31Å; L318-L320 PolarHBondContact O-N 3.16Å; L318-T321 VanDerWaalsContact CA-OG1 3.3Å; L318-T321 WeakPolarHBondContact CA-OG1 3.31Å; L318-T321 PolarHBondContact O-OG1 3.02Å; L318-N322 WeakPolarHBondContact O-CB 3.43Å; L318-N322 PolarHBondContact O-N 3.45Å; L318-L330 HydrophobicContact CD2-CD1 3.97Å; L318-L330 HydrophobicContact CD2-CD2 4.03Å; L318-L330 HydrophobicContact CD2-CG 3.87Å
319S93.2Very high92Very high29 Ų2948.7 Ų48.720%0.20327%0.271CS..Hα-helixtrans-62.9-27.817770.50000114.3K315 A316 V317K315-S319 WeakPolarHBondContact O-CB 3.1Å; K315-S319 PolarHBondContact O-N 2.97Å; A316-S319 PolarHBondContact O-N 2.63Å; A316-S319 PolarHBondContact O-OG 3.37Å; V317-S319 VanDerWaalsContact C-N 3.31Å; V317-S319 PolarHBondContact O-N 3.02Å
320L93.5Very high91.8Very high2 Ų247.6 Ų47.61%0.0127%0.268CS..Hα-helixtrans-97.9-45.4180-81.4179.4000112.4F266 I270 L285 P286 P289 Y292 L293 V317 L318 N322 Y323F266-L320 HydrophobicContact CE2-CB 4.47Å; F266-L320 HydrophobicContact CZ-CB 3.73Å; F266-L320 HydrophobicContact CZ-CD1 3.99Å; I270-L320 HydrophobicContact CD1-CD1 4.24Å; I270-L320 HydrophobicContact CG2-CD1 4.43Å; L285-L320 HydrophobicContact CD2-CB 4.39Å; L285-L320 HydrophobicContact CD2-CD2 4.12Å; P286-L320 HydrophobicContact CG-CD2 3.61Å; P289-L320 HydrophobicContact CB-CD1 4.41Å; P289-L320 HydrophobicContact CB-CD2 4.34Å; P289-L320 WeakPolarHBondContact O-CD1 3.47Å; Y292-L320 HydrophobicContact CD1-CD1 4.44Å; Y292-L320 HydrophobicContact CD1-CD2 3.35Å; Y292-L320 HydrophobicContact CD1-CG 3.67Å; Y292-L320 HydrophobicContact CE1-CD2 3.89Å; Y292-L320 HydrophobicContact CE1-CG 4.16Å; Y292-L320 HydrophobicContact CG-CD2 3.91Å; L293-L320 HydrophobicContact CB-CD1 3.65Å; L293-L320 HydrophobicContact CD1-CD1 4.12Å; L293-L320 HydrophobicContact CG-CD1 4.3Å; V317-L320 PolarHBondContact O-N 2.79Å; L318-L320 PolarHBondContact O-N 3.16Å; L320-N322 PolarHBondContact O-N 3.08Å; L320-Y323 WeakPolarHBondContact O-CB 2.98Å; L320-Y323 PolarHBondContact O-N 3.17Å
321T90.5Very high91.4Very high12 Ų1251 Ų517%0.07429%0.286CS..Hα-helixtrans-61.8-32177.950.40000111.7Y262 F266 V317 L318 Q327 L330Y262-T321 WeakPolarHBondContact OH-CG2 3.22Å; F266-T321 HydrophobicContact CD2-CG2 4Å; F266-T321 HydrophobicContact CE2-CG2 3.59Å; F266-T321 HydrophobicContact CZ-CG2 3.93Å; V317-T321 HydrophobicContact CG1-CG2 3.91Å; V317-T321 WeakPolarHBondContact O-CB 3.27Å; V317-T321 WeakPolarHBondContact O-CG2 3.36Å; V317-T321 PolarHBondContact O-N 2.7Å; V317-T321 PolarHBondContact O-OG1 3.32Å; L318-T321 VanDerWaalsContact CA-OG1 3.3Å; L318-T321 WeakPolarHBondContact CA-OG1 3.31Å; L318-T321 PolarHBondContact O-OG1 3.02Å; T321-Q327 WeakPolarHBondContact O-CG 3.34Å; T321-L330 HydrophobicContact CG2-CD2 4.08Å; T321-L330 WeakPolarHBondContact OG1-CD2 3.33Å
322N90.1Very high91Very high60 Ų6048.7 Ų48.732%0.32127%0.269SS..THydrogen-bonded Turntrans-105.630.1172.2-161.121.4000113.4L318 L320 T324 G325 N326 Q327L318-N322 WeakPolarHBondContact O-CB 3.43Å; L318-N322 PolarHBondContact O-N 3.45Å; L320-N322 PolarHBondContact O-N 3.08Å; N322-T324 PolarHBondContact O-N 3.16Å; N322-G325 PolarHBondContact O-N 3.33Å; N322-G325 WeakPolarHBondContact OD1-CA 3.29Å; N322-G325 PolarHBondContact OD1-N 3.24Å; N322-N326 PolarHBondContact OD1-N 3.29Å; N322-Q327 HydrophobicContact CB-CB 4.19Å; N322-Q327 VanDerWaalsContact CG-O 3.25Å; N322-Q327 PolarHBondContact ND2-O 2.84Å; N322-Q327 VanDerWaalsContact ND2-O 3.15Å; N322-Q327 PolarHBondContact OD1-N 3.12Å; N322-Q327 PolarHBondContact OD1-O 3Å
323Y89.3Confident90Very high94 Ų9448.6 Ų48.637%0.36927%0.272SS..THydrogen-bonded Turntrans-56.5-34.2-178.5174.8-111.2000113.3P286 L320P286-Y323 HydrophobicContact CB-CD2 4.36Å; P286-Y323 HydrophobicContact CB-CE1 4.43Å; P286-Y323 HydrophobicContact CB-CE2 3.71Å; P286-Y323 HydrophobicContact CG-CD2 4.23Å; P286-Y323 HydrophobicContact CG-CE2 4.07Å; L320-Y323 WeakPolarHBondContact O-CB 2.98Å; L320-Y323 PolarHBondContact O-N 3.17Å
324T86.8Confident88.3Confident76 Ų7651 Ų5147%0.46628%0.284SS..THydrogen-bonded Turntrans-85.8-7.9178.157.90000114.1A284 N322 N326A284-T324 HydrophobicContact CB-CG2 3.64Å; N322-T324 PolarHBondContact O-N 3.16Å; T324-N326 VanDerWaalsContact C-N 3.26Å; T324-N326 PolarHBondContact O-N 2.98Å
325G87.6Confident86.3Confident54 Ų5457.1 Ų57.156%0.55732%0.317SS*.SBendtrans771.8-176.300000115.6N322N322-G325 PolarHBondContact O-N 3.33Å; N322-G325 WeakPolarHBondContact OD1-CA 3.29Å; N322-G325 PolarHBondContact OD1-N 3.24Å
326N82.9Confident84.3Confident136 Ų13654 Ų5473%0.72731%0.305SS*.  trans-91.1-11.3-174.9-68.2-25.2000114.4N322 T324N322-N326 PolarHBondContact OD1-N 3.29Å; T324-N326 VanDerWaalsContact C-N 3.26Å; T324-N326 PolarHBondContact O-N 2.98Å
327Q81.8Confident82.3Confident103 Ų10359.9 Ų59.948%0.48134%0.344SS..  trans-91.3122.4-178.6-66.6-65.3-14.800110.5T321 N322T321-Q327 WeakPolarHBondContact O-CG 3.34Å; N322-Q327 HydrophobicContact CB-CB 4.19Å; N322-Q327 VanDerWaalsContact CG-O 3.25Å; N322-Q327 PolarHBondContact ND2-O 2.84Å; N322-Q327 VanDerWaalsContact ND2-O 3.15Å; N322-Q327 PolarHBondContact OD1-N 3.12Å; N322-Q327 PolarHBondContact OD1-O 3Å
328T86.9Confident81.1Confident117 Ų11761.6 Ų61.672%0.71835%0.353SS*.SBendtrans-86.8-29.2179.252.10000113.1N248N248-T328 PolarHBondContact ND2-O 2.59Å
329C92.1Very high80.2Confident28 Ų2861.5 Ų61.519%0.18935%0.354CS..SBendtrans-158.8163.8-179.155.90000109.7N248 C250N248-C329 CarbonylContact O-C 3.37Å; N248-C329 WeakPolarHBondContact O-CA 3.34Å; N248-C329 WeakPolarHBondContact O-CB 3.16Å; C250-C329 WeakPolarHBondContact CA-SG 2.92Å; C250-C329 HydrophobicContact CB-CB 3.95Å; C250-C329 WeakPolarHBondContact CB-SG 3.39Å; C250-C329 WeakPolarHBondContact SG-CB 3.45Å; C250-C329 CovalentContact SG-SG 2.04Å; C250-C329 PolarHBondContact SG-SG 3.27Å
330L90.4Very high79.5Confident7 Ų760.5 Ų60.54%0.03735%0.346CS..BIsolated β-bridgetrans-86114175-58.8-171.9000110.2F247 N248 I249 C250 Y262 V317 L318 T321 I332F247-L330 HydrophobicContact CB-CD1 4.33Å; F247-L330 WeakPolarHBondContact O-CD1 3.49Å; F247-L330 VanDerWaalsContact O-CG 3.28Å; F247-L330 WeakPolarHBondContact O-CG 3.32Å; N248-L330 PolarHBondContact O-N 3.37Å; I249-L330 WeakPolarHBondContact CA-O 3.35Å; C250-L330 PolarHBondContact N-O 2.84Å; Y262-L330 HydrophobicContact CE1-CD1 4Å; V317-L330 HydrophobicContact CG1-CD1 4.17Å; L318-L330 HydrophobicContact CD2-CD1 3.97Å; L318-L330 HydrophobicContact CD2-CD2 4.03Å; L318-L330 HydrophobicContact CD2-CG 3.87Å; T321-L330 HydrophobicContact CG2-CD2 4.08Å; T321-L330 WeakPolarHBondContact OG1-CD2 3.33Å; L330-I332 HydrophobicContact CB-CG2 4.27Å; L330-I332 PolarHBondContact O-N 3.16Å
331D87.4Confident78.7Confident74 Ų7460.6 Ų60.640%0.39635%0.347SS..  trans-83.199.8167.9-170.1-6.6000109.1S333D331-S333 VanDerWaalsContact C-N 3.3Å; D331-S333 WeakPolarHBondContact OD1-CB 3.38Å; D331-S333 PolarHBondContact OD1-N 3.15Å; D331-S333 PolarHBondContact OD1-OG 2.98Å
332I87.1Confident78.2Confident8 Ų862.3 Ų62.34%0.04136%0.356CS..  trans-90.22.817868.5170000112.3H21 I249 L253 N258 I259 Y262 L330H21-I332 PolarHBondContact NE2-O 3.2Å; I249-I332 HydrophobicContact CD1-CD1 4.09Å; I249-I332 HydrophobicContact CG2-CD1 3.72Å; I249-I332 HydrophobicContact CG2-CG1 3.72Å; I249-I332 HydrophobicContact CG2-CG2 4.19Å; L253-I332 HydrophobicContact CD1-CD1 3.59Å; N258-I332 HydrophobicContact CB-CD1 3.99Å; I259-I332 HydrophobicContact CB-CD1 4.39Å; Y262-I332 HydrophobicContact CD1-CG2 4.08Å; Y262-I332 HydrophobicContact CD2-CB 4.14Å; Y262-I332 HydrophobicContact CD2-CG2 3.78Å; Y262-I332 HydrophobicContact CE2-CG2 4.31Å; Y262-I332 HydrophobicContact CG-CB 4.19Å; Y262-I332 HydrophobicContact CG-CG2 3.66Å; L330-I332 HydrophobicContact CB-CG2 4.27Å; L330-I332 PolarHBondContact O-N 3.16Å
333S74.1Confident78.3Confident46 Ų4659.4 Ų59.432%0.32234%0.34SS..  trans-68.5135.4-177.274.50000110.6D331 N335D331-S333 VanDerWaalsContact C-N 3.3Å; D331-S333 WeakPolarHBondContact OD1-CB 3.38Å; D331-S333 PolarHBondContact OD1-N 3.15Å; D331-S333 PolarHBondContact OD1-OG 2.98Å; S333-N335 PolarHBondContact O-N 3.4Å; S333-N335 VanDerWaalsContact O-N 3.13Å
334M61.8Low78.4Confident58 Ų5855.3 Ų55.329%0.28632%0.324SS..SBendtrans-77.48.1-176.5-59.9-178.374.600113.9L17 R20L17-M334 HydrophobicContact CD2-CE 4.31Å; R20-M334 VanDerWaalsContact NH1-CE 3.33Å
335N55.3Low78.5Confident130 Ų13051.8 Ų51.870%0.69530%0.303SS*.  trans-115.639.4-160.1-80.3-19.6000113.2S333 P337S333-N335 PolarHBondContact O-N 3.4Å; S333-N335 VanDerWaalsContact O-N 3.13Å; N335-P337 WeakPolarHBondContact O-CD 3.37Å
336L52.9Low78.7Confident56 Ų5649.3 Ų49.329%0.29328%0.276SS..  trans-67.1114.2166.4-67.8-177.1000108.5R20 P23 N338R20-L336 VanDerWaalsContact O-CD1 3.29Å; R20-L336 WeakPolarHBondContact O-CD1 3.15Å; P23-L336 HydrophobicContact CG-CD1 4.38Å; L336-N338 PolarHBondContact O-N 3.19Å
337P54.3Low79.3Confident124 Ų12442.8 Ų42.881%0.80524%0.242SC*.  trans-77.166.9177.233.2-31.1000108.5N335N335-P337 WeakPolarHBondContact O-CD 3.37Å
338N70.7Confident79.8Confident36 Ų3637.9 Ų37.919%0.19322%0.219CC..  trans-98.4127.6175.3-171.5-8.4000108.9L336 D340 V341 N342L336-N338 PolarHBondContact O-N 3.19Å; N338-D340 PolarHBondContact O-N 3.49Å; N338-D340 PolarHBondContact OD1-N 2.77Å; N338-D340 VanDerWaalsContact OD1-N 3.14Å; N338-D340 PolarHBondContact OD1-OD2 3.04Å; N338-V341 HydrophobicContact CB-CB 4.27Å; N338-V341 HydrophobicContact CB-CG2 3.92Å; N338-V341 PolarHBondContact O-N 3.04Å; N338-N342 PolarHBondContact O-N 2.78Å; N338-N342 VanDerWaalsContact O-N 3.16Å; N338-N342 PolarHBondContact O-ND2 3.35Å
339V76Confident80.2Confident41 Ų4132.3 Ų32.325%0.24819%0.185CC..Hα-helixtrans-55-37.7177.768.80000111.5L114 F121 N342 G343L114-V339 HydrophobicContact CD1-CG2 4.41Å; L114-V339 HydrophobicContact CD2-CG2 3.89Å; F121-V339 HydrophobicContact CD2-CG2 3.88Å; F121-V339 HydrophobicContact CE2-CG2 3.28Å; F121-V339 HydrophobicContact CZ-CG2 4.12Å; V339-N342 PolarHBondContact O-N 3.2Å; V339-G343 PolarHBondContact O-N 2.75Å
340D77Confident80.3Confident8 Ų832.4 Ų32.44%0.04318%0.182CC..Hα-helixtrans-71.2-39.3-177.2-55.6-42.8000111.7P80 Y110 G111 N338 N342 G343 W344P80-D340 WeakPolarHBondContact CD-OD2 3.35Å; Y110-D340 HydrophobicContact CD1-CB 3.91Å; Y110-D340 HydrophobicContact CE1-CB 4.34Å; Y110-D340 WeakPolarHBondContact CE1-O 3.3Å; G111-D340 PolarHBondContact N-OD1 3.3Å; N338-D340 PolarHBondContact O-N 3.49Å; N338-D340 PolarHBondContact OD1-N 2.77Å; N338-D340 VanDerWaalsContact OD1-N 3.14Å; N338-D340 PolarHBondContact OD1-OD2 3.04Å; D340-N342 VanDerWaalsContact C-N 3.35Å; D340-N342 PolarHBondContact O-N 2.79Å; D340-G343 WeakPolarHBondContact O-CA 2.85Å; D340-G343 PolarHBondContact O-N 3.16Å; D340-W344 PolarHBondContact O-N 3.32Å
341V77Confident80.5Confident5 Ų532.4 Ų32.43%0.0318%0.182CC..Hα-helixtrans-64.3-42.3176.4174.90000110.6T19 R20 N338 G343 D345T19-V341 VanDerWaalsContact O-CG2 3.31Å; T19-V341 WeakPolarHBondContact O-CG2 3.48Å; R20-V341 HydrophobicContact CB-CG1 4.41Å; R20-V341 HydrophobicContact CG-CG1 3.48Å; R20-V341 VanDerWaalsContact CG-CG1 3.48Å; N338-V341 HydrophobicContact CB-CB 4.27Å; N338-V341 HydrophobicContact CB-CG2 3.92Å; N338-V341 PolarHBondContact O-N 3.04Å; V341-G343 VanDerWaalsContact C-N 3.33Å; V341-D345 VanDerWaalsContact O-CB 3.26Å; V341-D345 WeakPolarHBondContact O-CB 3.44Å; V341-D345 PolarHBondContact O-N 2.95Å
342N80.7Confident80.8Confident47 Ų4728.9 Ų28.925%0.25116%0.163SC..Hα-helixtrans-65.9-37.1174.4-71.1-36.9000111.8F121 N338 V339 D340 L346F121-N342 HydrophobicContact CD1-CB 4.15Å; F121-N342 HydrophobicContact CE1-CB 4.27Å; N338-N342 PolarHBondContact O-N 2.78Å; N338-N342 VanDerWaalsContact O-N 3.16Å; N338-N342 PolarHBondContact O-ND2 3.35Å; V339-N342 PolarHBondContact O-N 3.2Å; D340-N342 VanDerWaalsContact C-N 3.35Å; D340-N342 PolarHBondContact O-N 2.79Å; N342-L346 WeakPolarHBondContact O-CB 3.44Å; N342-L346 PolarHBondContact O-N 2.95Å
343G91.3Very high81.1Confident0 Ų028.5 Ų28.50%016%0.162CC..Hα-helixtrans-50.7-60.3170.900000112.3L130 V339 D340 V341 L346 Q347L130-G343 WeakPolarHBondContact CD2-O 3.42Å; V339-G343 PolarHBondContact O-N 2.75Å; D340-G343 WeakPolarHBondContact O-CA 2.85Å; D340-G343 PolarHBondContact O-N 3.16Å; V341-G343 VanDerWaalsContact C-N 3.33Å; G343-L346 PolarHBondContact O-N 2.94Å; G343-Q347 PolarHBondContact O-N 2.94Å
344W91.6Very high82Confident7 Ų726.5 Ų26.53%0.02715%0.147CC..Hα-helixtrans-70-42.7-174-176-87.5000112.9F15 G16 E78 Y110 Y165 D340 L346 Q347 A348 M352F15-W344 HydrophobicContact CB-CZ2 4.03Å; G16-W344 VanDerWaalsContact N-NE1 3.17Å; E78-W344 HydrophobicContact CB-CB 4.29Å; E78-W344 HydrophobicContact CB-CD2 4.21Å; E78-W344 HydrophobicContact CB-CE3 3.56Å; E78-W344 HydrophobicContact CB-CZ3 4.29Å; E78-W344 HydrophobicContact CG-CD2 4.08Å; E78-W344 HydrophobicContact CG-CE3 3.75Å; E78-W344 HydrophobicContact CG-CG 4.48Å; E78-W344 HydrophobicContact CG-CZ3 4.32Å; Y110-W344 VanDerWaalsContact OH-CA 3.29Å; Y110-W344 WeakPolarHBondContact OH-CA 3.33Å; Y110-W344 PolarHBondContact OH-N 3.43Å; Y110-W344 VanDerWaalsContact OH-N 3.08Å; Y165-W344 HydrophobicContact CD1-CE3 4.3Å; Y165-W344 HydrophobicContact CD1-CH2 4.42Å; Y165-W344 AromaticContact CD1-CZ3 3.52Å; Y165-W344 HydrophobicContact CD1-CZ3 3.52Å; Y165-W344 HydrophobicContact CD2-CH2 4.36Å; Y165-W344 HydrophobicContact CD2-CZ3 4.13Å; Y165-W344 HydrophobicContact CE1-CZ3 4.09Å; Y165-W344 AromaticContact CG-CH2 3.99Å; Y165-W344 HydrophobicContact CG-CH2 3.99Å; Y165-W344 AromaticContact CG-CZ3 3.55Å; Y165-W344 HydrophobicContact CG-CZ3 3.55Å; D340-W344 PolarHBondContact O-N 3.32Å; W344-L346 PolarHBondContact O-N 2.88Å; W344-Q347 PolarHBondContact O-N 3.2Å; W344-Q347 VanDerWaalsContact O-N 3.13Å; W344-A348 WeakPolarHBondContact O-CB 3.43Å; W344-A348 PolarHBondContact O-N 3.22Å; W344-M352 HydrophobicContact CH2-CB 4.33Å; W344-M352 HydrophobicContact CH2-CG 4.29Å; W344-M352 HydrophobicContact CZ3-CG 4.44Å
345D88.9Confident83.4Confident3 Ų324.4 Ų24.42%0.01614%0.138CC..Hα-helixtrans-58.9-39.3177.8-172.824000111.2R20 V341 C349 Y378 R382 F383R20-D345 IonicContact CZ-OD2 3.25Å; R20-D345 IonicContact NH2-OD1 3.08Å; R20-D345 PolarHBondContact NH2-OD1 3.34Å; R20-D345 IonicContact NH2-OD2 3.75Å; R20-D345 PolarHBondContact NH2-OD2 2.92Å; V341-D345 VanDerWaalsContact O-CB 3.26Å; V341-D345 WeakPolarHBondContact O-CB 3.44Å; V341-D345 PolarHBondContact O-N 2.95Å; D345-C349 WeakPolarHBondContact O-CB 3.21Å; D345-C349 PolarHBondContact O-N 2.78Å; D345-Y378 VanDerWaalsContact CG-OH 3.26Å; D345-Y378 PolarHBondContact OD1-OH 3.18Å; D345-Y378 PolarHBondContact OD2-OH 3.01Å; D345-R382 IonicContact OD2-CZ 2.78Å; D345-R382 IonicContact OD2-NE 3.41Å; D345-R382 PolarHBondContact OD2-NE 3.04Å; D345-R382 IonicContact OD2-NH2 3.53Å; D345-R382 PolarHBondContact OD2-NH2 2.05Å; D345-F383 HydrophobicContact CB-CE2 4.4Å; D345-F383 HydrophobicContact CB-CZ 4.17Å
346L92.9Very high85.2Confident1 Ų118.3 Ų18.31%0.00511%0.105CC..Hα-helixtrans-67.6-45173.3178.362.8000112.3F121 F127 L130 N342 G343 W344 A348 C349 M350 F383F121-L346 HydrophobicContact CD1-CD2 4.25Å; F121-L346 HydrophobicContact CE1-CD2 4.33Å; F127-L346 HydrophobicContact CB-CD2 3.39Å; F127-L346 HydrophobicContact CD1-CD2 4.12Å; F127-L346 HydrophobicContact CD2-CD1 3.88Å; F127-L346 HydrophobicContact CD2-CD2 3.46Å; F127-L346 VanDerWaalsContact CD2-CD2 3.46Å; F127-L346 HydrophobicContact CD2-CG 4.24Å; F127-L346 HydrophobicContact CE2-CD1 3.8Å; F127-L346 HydrophobicContact CE2-CD2 4.22Å; F127-L346 HydrophobicContact CG-CD1 4.43Å; F127-L346 HydrophobicContact CG-CD2 3.4Å; F127-L346 VanDerWaalsContact CG-CD2 3.4Å; F127-L346 HydrophobicContact CZ-CD1 4.27Å; L130-L346 HydrophobicContact CD2-CD2 4.15Å; N342-L346 WeakPolarHBondContact O-CB 3.44Å; N342-L346 PolarHBondContact O-N 2.95Å; G343-L346 PolarHBondContact O-N 2.94Å; W344-L346 PolarHBondContact O-N 2.88Å; L346-A348 VanDerWaalsContact C-N 3.32Å; L346-A348 PolarHBondContact O-N 3.5Å; L346-C349 CarbonylContact O-C 3.34Å; L346-C349 PolarHBondContact O-N 3.32Å; L346-C349 VanDerWaalsContact O-N 3.15Å; L346-M350 HydrophobicContact CD1-CE 4.32Å; L346-M350 HydrophobicContact CD1-CG 4.31Å; L346-M350 HydrophobicContact CD1-SD 4.1Å; L346-M350 HydrophobicContact CD2-CE 4.35Å; L346-M350 HydrophobicContact CG-CE 3.86Å; L346-M350 HydrophobicContact CG-SD 4.29Å; L346-M350 WeakPolarHBondContact O-CG 3.47Å; L346-M350 PolarHBondContact O-N 2.93Å; L346-M350 VanDerWaalsContact O-N 3.13Å; L346-F383 HydrophobicContact CB-CE1 4.31Å; L346-F383 HydrophobicContact CB-CE2 4.36Å; L346-F383 HydrophobicContact CB-CZ 4.16Å; L346-F383 HydrophobicContact CD1-CB 3.86Å; L346-F383 HydrophobicContact CD1-CD1 3.94Å; L346-F383 HydrophobicContact CD1-CD2 4.01Å; L346-F383 HydrophobicContact CD1-CE1 4.46Å; L346-F383 HydrophobicContact CD1-CG 3.68Å
347Q94.1Very high87.1Confident0 Ų016 Ų160%09%0.094CC..Hα-helixtrans-59.9-41.9175.7-77.2-168.8-86.400112.2Y110 L130 Y165 G343 W344 C349 M350 E351 M352Y110-Q347 VanDerWaalsContact CE2-OE1 3.29Å; Y110-Q347 PolarHBondContact OH-OE1 2.87Å; L130-Q347 HydrophobicContact CD1-CG 3.79Å; L130-Q347 HydrophobicContact CD2-CG 3.84Å; L130-Q347 HydrophobicContact CG-CG 3.49Å; L130-Q347 VanDerWaalsContact CG-CG 3.49Å; Y165-Q347 PolarHBondContact OH-NE2 2.99Å; G343-Q347 PolarHBondContact O-N 2.94Å; W344-Q347 PolarHBondContact O-N 3.2Å; W344-Q347 VanDerWaalsContact O-N 3.13Å; Q347-C349 VanDerWaalsContact C-N 3.27Å; Q347-C349 PolarHBondContact O-N 3.15Å; Q347-M350 CarbonylContact O-C 3.46Å; Q347-M350 PolarHBondContact O-N 3.29Å; Q347-E351 PolarHBondContact NE2-OE1 3.48Å; Q347-E351 PolarHBondContact O-N 3.16Å; Q347-M352 HydrophobicContact CB-CG 4.28Å; Q347-M352 PolarHBondContact O-N 3.46Å
348A93.6Very high89Confident0 Ų010.2 Ų10.20%06%0.057CC..Hα-helixtrans-62.5-36.4176.100000111.6W344 L346 M350 V353 Y375W344-A348 WeakPolarHBondContact O-CB 3.43Å; W344-A348 PolarHBondContact O-N 3.22Å; L346-A348 VanDerWaalsContact C-N 3.32Å; L346-A348 PolarHBondContact O-N 3.5Å; A348-M350 VanDerWaalsContact C-N 3.25Å; A348-M350 PolarHBondContact O-N 3.02Å; A348-V353 WeakPolarHBondContact O-CG2 3.17Å; A348-Y375 WeakPolarHBondContact CB-OH 3.47Å; A348-Y375 PolarHBondContact O-OH 3.24Å
349C94.4Very high89.6Confident0 Ų011.2 Ų11.20%07%0.067CC..Hα-helixtrans-74-9.1173.3-88.50000115.1D345 L346 Q347 Y375 C379 F383 V385 P387D345-C349 WeakPolarHBondContact O-CB 3.21Å; D345-C349 PolarHBondContact O-N 2.78Å; L346-C349 CarbonylContact O-C 3.34Å; L346-C349 PolarHBondContact O-N 3.32Å; L346-C349 VanDerWaalsContact O-N 3.15Å; Q347-C349 VanDerWaalsContact C-N 3.27Å; Q347-C349 PolarHBondContact O-N 3.15Å; C349-Y375 PolarHBondContact N-OH 3.41Å; C349-C379 WeakPolarHBondContact CA-SG 3.37Å; C349-C379 HydrophobicContact CB-CB 3.59Å; C349-C379 WeakPolarHBondContact CB-SG 3.17Å; C349-C379 WeakPolarHBondContact SG-CA 3.32Å; C349-C379 WeakPolarHBondContact SG-CB 3.46Å; C349-C379 CovalentContact SG-SG 2.04Å; C349-C379 PolarHBondContact SG-SG 2.64Å; C349-F383 HydrophobicContact CB-CD2 3.91Å; C349-F383 HydrophobicContact CB-CE2 4.27Å; C349-V385 HydrophobicContact CB-CG2 4.08Å; C349-P387 WeakPolarHBondContact O-CA 3.49Å
350M94.7Very high89.6Confident29 Ų2911.3 Ų11.314%0.1438%0.075CC..Hα-helixtrans-110.9-77.6178.7-65.5-172-53.700111.7L130 L346 Q347 A348 V385 R388L130-M350 HydrophobicContact CB-CE 4.29Å; L130-M350 WeakPolarHBondContact O-CE 3.43Å; L346-M350 HydrophobicContact CD1-CE 4.32Å; L346-M350 HydrophobicContact CD1-CG 4.31Å; L346-M350 HydrophobicContact CD1-SD 4.1Å; L346-M350 HydrophobicContact CD2-CE 4.35Å; L346-M350 HydrophobicContact CG-CE 3.86Å; L346-M350 HydrophobicContact CG-SD 4.29Å; L346-M350 WeakPolarHBondContact O-CG 3.47Å; L346-M350 PolarHBondContact O-N 2.93Å; L346-M350 VanDerWaalsContact O-N 3.13Å; Q347-M350 CarbonylContact O-C 3.46Å; Q347-M350 PolarHBondContact O-N 3.29Å; A348-M350 VanDerWaalsContact C-N 3.25Å; A348-M350 PolarHBondContact O-N 3.02Å; M350-V385 HydrophobicContact CG-CB 4.47Å; M350-V385 HydrophobicContact CG-CG2 4.04Å; M350-R388 PolarHBondContact O-N 2.66Å
351E93.7Very high89.8Confident7 Ų716.7 Ų16.73%0.03311%0.111CC..THydrogen-bonded Turntrans-111.1-31.5-170.753.1169.4-166.400113.6T131 A132 F194 Q347 V353 P392T131-E351 WeakPolarHBondContact CA-OE1 3.15Å; A132-E351 PolarHBondContact N-OE1 3.45Å; A132-E351 PolarHBondContact N-OE2 3.38Å; F194-E351 VanDerWaalsContact CE1-O 3.3Å; F194-E351 WeakPolarHBondContact CE1-O 3.35Å; Q347-E351 PolarHBondContact NE2-OE1 3.48Å; Q347-E351 PolarHBondContact O-N 3.16Å; E351-V353 VanDerWaalsContact C-N 3.27Å; E351-V353 PolarHBondContact O-N 2.89Å; E351-V353 VanDerWaalsContact O-N 3.17Å; E351-P392 WeakPolarHBondContact O-CG 3.44Å
352M94Very high90.4Very high0 Ų020.4 Ų20.40%013%0.134CC..  trans-90.941.5-175.2-60.3-55.8152.300113.1A132 Y165 M168 W172 F194 W344 Q347 T354 F396A132-M352 HydrophobicContact CB-CE 3.77Å; Y165-M352 HydrophobicContact CD2-SD 4.49Å; Y165-M352 HydrophobicContact CE2-CE 3.67Å; Y165-M352 HydrophobicContact CE2-SD 4.14Å; M168-M352 HydrophobicContact CE-SD 4.28Å; W172-M352 HydrophobicContact CH2-CE 3.74Å; W172-M352 HydrophobicContact CH2-SD 4Å; W172-M352 HydrophobicContact CZ3-CE 3.77Å; F194-M352 HydrophobicContact CE1-SD 3.92Å; F194-M352 HydrophobicContact CZ-SD 4.03Å; W344-M352 HydrophobicContact CH2-CB 4.33Å; W344-M352 HydrophobicContact CH2-CG 4.29Å; W344-M352 HydrophobicContact CZ3-CG 4.44Å; Q347-M352 HydrophobicContact CB-CG 4.28Å; Q347-M352 PolarHBondContact O-N 3.46Å; M352-T354 PolarHBondContact O-N 3.34Å; M352-T354 VanDerWaalsContact O-N 3.16Å; M352-T354 PolarHBondContact O-OG1 3.44Å; M352-F396 HydrophobicContact CE-CE2 4.25Å
353V94Very high91Very high1 Ų118.4 Ų18.41%0.00612%0.123CC..  trans-64.2116.7-177.3-171.20000109.8P195 A348 E351 W370 Y375 P387 V389P195-V353 WeakPolarHBondContact CD-O 3.05Å; P195-V353 HydrophobicContact CG-CB 4.31Å; P195-V353 HydrophobicContact CG-CG1 4Å; A348-V353 WeakPolarHBondContact O-CG2 3.17Å; E351-V353 VanDerWaalsContact C-N 3.27Å; E351-V353 PolarHBondContact O-N 2.89Å; E351-V353 VanDerWaalsContact O-N 3.17Å; V353-W370 HydrophobicContact CG1-CH2 3.58Å; V353-W370 HydrophobicContact CG1-CZ2 3.91Å; V353-Y375 HydrophobicContact CG1-CD1 4.12Å; V353-Y375 HydrophobicContact CG1-CE1 3.86Å; V353-P387 HydrophobicContact CG2-CB 3.45Å; V353-P387 VanDerWaalsContact CG2-CB 3.45Å; V353-V389 HydrophobicContact CB-CG1 4.34Å; V353-V389 HydrophobicContact CG1-CG1 4.07Å; V353-V389 HydrophobicContact CG2-CG1 4.16Å
354T92.5Very high91.2Very high3 Ų318.4 Ų18.42%0.01812%0.123CC..  trans-119103.9-171.9-53.70000111.9L193 M352 T356 W370 W417 F420L193-T354 HydrophobicContact CB-CG2 4.13Å; L193-T354 WeakPolarHBondContact CD1-OG1 3.11Å; M352-T354 PolarHBondContact O-N 3.34Å; M352-T354 VanDerWaalsContact O-N 3.16Å; M352-T354 PolarHBondContact O-OG1 3.44Å; T354-T356 HydrophobicContact CG2-CG2 4.12Å; T354-T356 PolarHBondContact O-N 2.95Å; T354-W370 WeakPolarHBondContact O-CZ3 3.42Å; T354-W417 HydrophobicContact CG2-CH2 4.33Å; T354-W417 HydrophobicContact CG2-CZ3 4.04Å; T354-F420 HydrophobicContact CG2-CD2 4.41Å; T354-F420 HydrophobicContact CG2-CE2 4.1Å
355P92.6Very high91.3Very high14 Ų1418.3 Ų18.39%0.09112%0.123CC..  trans-75.4113.2173.7-23.739.3000113.3L193 P195 C200 W370L193-P355 WeakPolarHBondContact O-CD 3.48Å; P195-P355 HydrophobicContact CB-CG 3.86Å; P195-P355 HydrophobicContact CG-CG 3.64Å; C200-P355 WeakPolarHBondContact CA-O 3.3Å; C200-P355 HydrophobicContact CB-CB 4.27Å; C200-P355 WeakPolarHBondContact CB-O 3.43Å; P355-W370 VanDerWaalsContact CA-CE3 3.46Å; P355-W370 HydrophobicContact CB-CB 4.43Å; P355-W370 HydrophobicContact CB-CD2 3.51Å; P355-W370 HydrophobicContact CB-CE3 3.95Å; P355-W370 HydrophobicContact CB-CG 3.68Å; P355-W370 HydrophobicContact CB-CZ2 4.22Å; P355-W370 HydrophobicContact CB-CZ3 4.39Å; P355-W370 HydrophobicContact CG-CD2 3.97Å; P355-W370 HydrophobicContact CG-CE3 4.4Å; P355-W370 HydrophobicContact CG-CG 4.45Å; P355-W370 HydrophobicContact CG-CH2 4.16Å; P355-W370 HydrophobicContact CG-CZ2 3.71Å; P355-W370 HydrophobicContact CG-CZ3 4.42Å
356T91.8Very high91.5Very high2 Ų218.2 Ų18.21%0.01212%0.122CC..  trans-120143.5167.6630000110.3P12 L13 C200 F203 T354 F420P12-T356 VanDerWaalsContact CA-OG1 3.3Å; P12-T356 WeakPolarHBondContact CA-OG1 3.39Å; P12-T356 WeakPolarHBondContact CB-OG1 3.34Å; L13-T356 PolarHBondContact N-OG1 2.74Å; L13-T356 WeakPolarHBondContact O-CG2 3.3Å; C200-T356 WeakPolarHBondContact O-CA 3.46Å; F203-T356 HydrophobicContact CB-CG2 4.43Å; T354-T356 HydrophobicContact CG2-CG2 4.12Å; T354-T356 PolarHBondContact O-N 2.95Å; T356-F420 HydrophobicContact CG2-CE2 3.91Å; T356-F420 HydrophobicContact CG2-CZ 4.06Å
357C93.1Very high91.4Very high8 Ų821.2 Ų21.25%0.05414%0.142CC..  trans-143.3167.8173.766.60000110.1C200 N201 S204 S368C200-C357 HydrophobicContact CB-CB 3.91Å; C200-C357 WeakPolarHBondContact CB-SG 3.33Å; C200-C357 PolarHBondContact O-N 3.28Å; C200-C357 WeakPolarHBondContact SG-CB 3.39Å; C200-C357 CovalentContact SG-SG 2.05Å; C200-C357 PolarHBondContact SG-SG 3.27Å; N201-C357 PolarHBondContact N-SG 3.45Å; S204-C357 WeakPolarHBondContact CB-O 3.41Å; S204-C357 PolarHBondContact OG-O 2.92Å; C357-S368 WeakPolarHBondContact CB-O 3.49Å
358A93.9Very high91.2Very high2 Ų221.6 Ų21.62%0.01715%0.145CC..BIsolated β-bridgetrans-136.191.7174.100000107.7N201 N363 M365 P366 P367 S368N201-A358 WeakPolarHBondContact OD1-CA 3.43Å; A358-N363 HydrophobicContact CB-CB 4.16Å; A358-M365 HydrophobicContact CB-CB 3.99Å; A358-P366 WeakPolarHBondContact CB-O 3.34Å; A358-P367 WeakPolarHBondContact O-CA 3.28Å; A358-S368 WeakPolarHBondContact CB-OG 3.18Å; A358-S368 PolarHBondContact N-O 3.24Å; A358-S368 PolarHBondContact N-OG 3.3Å; A358-S368 PolarHBondContact O-N 3.41Å
359S84.5Confident91Very high58 Ų5828.3 Ų28.341%0.40618%0.181SC..  trans-91.6126.3-175.161.70000111.9N201 N363N201-S359 VanDerWaalsContact CG-OG 3.23Å; N201-S359 PolarHBondContact ND2-OG 3.3Å; N201-S359 PolarHBondContact OD1-N 3.23Å; N201-S359 PolarHBondContact OD1-OG 3.4Å; S359-N363 PolarHBondContact N-ND2 3.49Å; S359-N363 PolarHBondContact O-ND2 3.39Å
360G75.3Confident90.8Very high42 Ų4231 Ų3143%0.43319%0.191SC..SBendtrans81170170.200000115.2V362G360-V362 PolarHBondContact O-N 3.02Å; G360-V362 VanDerWaalsContact O-N 3.16Å
361P81.4Confident90.6Very high121 Ų12133.1 Ų33.179%0.78620%0.202SC*.THydrogen-bonded Turntrans-74.5-2.8-17332.6-37.6000113.6Q224 N363Q224-P361 PolarHBondContact NE2-O 3.12Å; P361-N363 VanDerWaalsContact C-N 3.35Å
362V89.2Confident90.6Very high84 Ų8435.6 Ų35.651%0.50922%0.216SC..THydrogen-bonded Turntrans-76-25.5179.2-63.50000112.2M205 T208 Q224 G360M205-V362 HydrophobicContact CE-CG2 4.46Å; M205-V362 HydrophobicContact SD-CG2 3.74Å; T208-V362 WeakPolarHBondContact CG2-O 3.44Å; Q224-V362 VanDerWaalsContact NE2-C 3.31Å; Q224-V362 PolarHBondContact NE2-O 2.93Å; G360-V362 PolarHBondContact O-N 3.02Å; G360-V362 VanDerWaalsContact O-N 3.16Å
363N93.5Very high90.7Very high5 Ų542.8 Ų42.83%0.02725%0.247CC..  trans-76.1143.6-178.5-80-73.6000111.2N201 S204 M205 T208 Q224 A358 S359 P361N201-N363 PolarHBondContact OD1-ND2 3.15Å; S204-N363 VanDerWaalsContact C-OD1 3.22Å; S204-N363 WeakPolarHBondContact CB-OD1 3.2Å; S204-N363 PolarHBondContact O-OD1 2.74Å; M205-N363 PolarHBondContact N-OD1 3.01Å; T208-N363 WeakPolarHBondContact OG1-CA 3.02Å; Q224-N363 WeakPolarHBondContact CG-O 3.43Å; Q224-N363 PolarHBondContact NE2-O 2.9Å; Q224-N363 VanDerWaalsContact NE2-O 3.15Å; A358-N363 HydrophobicContact CB-CB 4.16Å; S359-N363 PolarHBondContact N-ND2 3.49Å; S359-N363 PolarHBondContact O-ND2 3.39Å; P361-N363 VanDerWaalsContact C-N 3.35Å
364I95.2Very high90.6Very high0 Ų044.8 Ų44.80%026%0.259CS..SBendtrans-78-24.4169.4-158.3173.6000112.3I207 T208 F211 V220 I223 W227I207-I364 HydrophobicContact CG2-CG2 3.7Å; T208-I364 PolarHBondContact OG1-N 2.96Å; F211-I364 HydrophobicContact CB-CD1 3.71Å; F211-I364 HydrophobicContact CD1-CD1 3.53Å; F211-I364 HydrophobicContact CD2-CD1 4.26Å; F211-I364 HydrophobicContact CE1-CD1 4.16Å; F211-I364 HydrophobicContact CG-CD1 3.57Å; V220-I364 HydrophobicContact CG2-CD1 4.18Å; I223-I364 HydrophobicContact CB-CD1 3.78Å; I223-I364 HydrophobicContact CB-CG1 3.62Å; I223-I364 HydrophobicContact CD1-CD1 3.5Å; I223-I364 HydrophobicContact CD1-CG1 4.31Å; I223-I364 HydrophobicContact CG1-CD1 4.21Å; I223-I364 HydrophobicContact CG2-CD1 3.88Å; I223-I364 HydrophobicContact CG2-CG1 3.41Å; I223-I364 VanDerWaalsContact CG2-CG1 3.41Å; W227-I364 WeakPolarHBondContact CZ2-O 3.11Å; W227-I364 PolarHBondContact NE1-O 2.82Å
365M94.5Very high90.5Very high4 Ų445.1 Ų45.12%0.0226%0.26CS..SBendtrans-74152.2175.8-55.7-54.9-101.800110.8L13 I207 S264 L267 A358L13-M365 HydrophobicContact CD1-CE 3.51Å; L13-M365 HydrophobicContact CD2-CE 3.94Å; L13-M365 HydrophobicContact CG-CE 4.4Å; I207-M365 HydrophobicContact CD1-CE 3.6Å; I207-M365 HydrophobicContact CD1-CG 4.33Å; I207-M365 HydrophobicContact CD1-SD 4Å; I207-M365 HydrophobicContact CG2-SD 4.1Å; S264-M365 VanDerWaalsContact O-CE 3.26Å; S264-M365 WeakPolarHBondContact O-CE 3.37Å; L267-M365 HydrophobicContact CB-SD 4.22Å; A358-M365 HydrophobicContact CB-CB 3.99Å
366P92.1Very high90.6Very high2 Ų246 Ų461%0.01327%0.266CS..PPolyproline II helixtrans-63.5146.617727.5-34.6000111.2L10 W227 I260 S264 A358 S368L10-P366 HydrophobicContact CD1-CB 3.96Å; L10-P366 HydrophobicContact CD1-CG 3.82Å; L10-P366 HydrophobicContact CD2-CG 4.18Å; W227-P366 HydrophobicContact CB-CB 4.46Å; W227-P366 HydrophobicContact CD2-CB 3.93Å; W227-P366 HydrophobicContact CD2-CG 4.36Å; W227-P366 HydrophobicContact CE3-CB 4.35Å; W227-P366 HydrophobicContact CG-CB 3.95Å; I260-P366 HydrophobicContact CG2-CB 4.26Å; I260-P366 HydrophobicContact CG2-CG 4.04Å; S264-P366 VanDerWaalsContact OG-CD 3.27Å; S264-P366 WeakPolarHBondContact OG-CD 3.45Å; S264-P366 WeakPolarHBondContact OG-CG 3.33Å; A358-P366 WeakPolarHBondContact CB-O 3.34Å; P366-S368 PolarHBondContact O-N 2.97Å; P366-S368 VanDerWaalsContact O-N 3.16Å
367P90.6Very high90.8Very high63 Ų6349.9 Ų49.941%0.40929%0.287SS..PPolyproline II helixtrans-57.2120-177.2-25.634.3000112.7F7 L10 A358F7-P367 HydrophobicContact CE2-CG 4.49Å; L10-P367 VanDerWaalsContact CD1-O 3.24Å; L10-P367 WeakPolarHBondContact CD1-O 3.23Å; A358-P367 WeakPolarHBondContact O-CA 3.28Å
368S89.6Confident90.8Very high9 Ų951.4 Ų51.46%0.06329%0.291CS..BIsolated β-bridgetrans-134.2143.6-179.351.90000111.8C357 A358 P366C357-S368 WeakPolarHBondContact CB-O 3.49Å; A358-S368 WeakPolarHBondContact CB-OG 3.18Å; A358-S368 PolarHBondContact N-O 3.24Å; A358-S368 PolarHBondContact N-OG 3.3Å; A358-S368 PolarHBondContact O-N 3.41Å; P366-S368 PolarHBondContact O-N 2.97Å; P366-S368 VanDerWaalsContact O-N 3.16Å
369N90.3Very high90.8Very high141 Ų14151.3 Ų51.375%0.75429%0.291SS*.  trans-115.5135.5173-68.4-41.7000109.4
370W89.4Confident91.3Very high57 Ų5752.8 Ų52.822%0.21629%0.291CS..  trans-79.3124.9169.8167.3-99.4000110.2P12 V353 T354 P355 L372 Y375P12-W370 HydrophobicContact CB-CE3 3.67Å; P12-W370 HydrophobicContact CB-CZ3 3.86Å; P12-W370 HydrophobicContact CG-CE3 3.45Å; P12-W370 VanDerWaalsContact CG-CE3 3.45Å; P12-W370 HydrophobicContact CG-CZ3 3.27Å; V353-W370 HydrophobicContact CG1-CH2 3.58Å; V353-W370 HydrophobicContact CG1-CZ2 3.91Å; T354-W370 WeakPolarHBondContact O-CZ3 3.42Å; P355-W370 VanDerWaalsContact CA-CE3 3.46Å; P355-W370 HydrophobicContact CB-CB 4.43Å; P355-W370 HydrophobicContact CB-CD2 3.51Å; P355-W370 HydrophobicContact CB-CE3 3.95Å; P355-W370 HydrophobicContact CB-CG 3.68Å; P355-W370 HydrophobicContact CB-CZ2 4.22Å; P355-W370 HydrophobicContact CB-CZ3 4.39Å; P355-W370 HydrophobicContact CG-CD2 3.97Å; P355-W370 HydrophobicContact CG-CE3 4.4Å; P355-W370 HydrophobicContact CG-CG 4.45Å; P355-W370 HydrophobicContact CG-CH2 4.16Å; P355-W370 HydrophobicContact CG-CZ2 3.71Å; P355-W370 HydrophobicContact CG-CZ3 4.42Å; W370-L372 HydrophobicContact CZ2-CB 4.28Å; W370-L372 HydrophobicContact CZ2-CD1 4.05Å; W370-Y375 AromaticContact CH2-CD1 3.78Å; W370-Y375 HydrophobicContact CH2-CD1 3.78Å; W370-Y375 HydrophobicContact CH2-CD2 4.22Å; W370-Y375 HydrophobicContact CH2-CE1 4.29Å; W370-Y375 AromaticContact CH2-CG 3.75Å; W370-Y375 HydrophobicContact CH2-CG 3.75Å; W370-Y375 HydrophobicContact CZ3-CD1 4.48Å; W370-Y375 HydrophobicContact CZ3-CD2 4.12Å; W370-Y375 HydrophobicContact CZ3-CG 4.07Å
371D91.8Very high92.2Very high72 Ų7257.1 Ų57.139%0.38530%0.304SS..  trans-131111.9170.6173.738.9000111K373 T374 Y375D371-K373 PolarHBondContact O-N 2.8Å; D371-K373 PolarHBondContact OD1-N 3.25Å; D371-K373 VanDerWaalsContact OD1-N 3.16Å; D371-T374 PolarHBondContact O-N 3.16Å; D371-T374 WeakPolarHBondContact OD2-CB 3.03Å; D371-T374 PolarHBondContact OD2-N 3.1Å; D371-T374 PolarHBondContact OD2-OG1 3.48Å; D371-Y375 WeakPolarHBondContact O-CB 3.45Å; D371-Y375 PolarHBondContact O-N 2.84Å
372L93.3Very high92.6Very high59 Ų5956.6 Ų56.631%0.30929%0.287SS..Hα-helixtrans-61.1-32.5179.7177.159.8000112.2W370 S376 V389W370-L372 HydrophobicContact CZ2-CB 4.28Å; W370-L372 HydrophobicContact CZ2-CD1 4.05Å; L372-S376 VanDerWaalsContact O-CB 3.29Å; L372-S376 WeakPolarHBondContact O-CB 3.46Å; L372-S376 PolarHBondContact O-N 3.34Å; L372-S376 PolarHBondContact O-OG 3.3Å; L372-V389 HydrophobicContact CD1-CG1 3.61Å; L372-V389 HydrophobicContact CD2-CG1 4.04Å; L372-V389 HydrophobicContact CD2-CG2 4.21Å
373K95.1Very high92.8Very high151 Ų15154.2 Ų54.266%0.65727%0.269SS*.Hα-helixtrans-67-49.8-179.1-177.1-179.3177.5-176.60110.6D371 Y375 S376 I377D371-K373 PolarHBondContact O-N 2.8Å; D371-K373 PolarHBondContact OD1-N 3.25Å; D371-K373 VanDerWaalsContact OD1-N 3.16Å; K373-Y375 VanDerWaalsContact C-N 3.34Å; K373-S376 PolarHBondContact O-N 3.39Å; K373-I377 HydrophobicContact CG-CD1 4.25Å; K373-I377 WeakPolarHBondContact O-CG1 3.31Å; K373-I377 PolarHBondContact O-N 2.9Å
374T92Very high92.8Very high43 Ų4354.8 Ų54.826%0.26428%0.277SS..Hα-helixtrans-60.7-45175.8-60.80000111.2F9 D371 S376 I377 Y378F9-T374 HydrophobicContact CD1-CG2 3.63Å; F9-T374 HydrophobicContact CE1-CG2 3.78Å; F9-T374 WeakPolarHBondContact CE1-OG1 2.99Å; F9-T374 HydrophobicContact CG-CG2 4.42Å; D371-T374 PolarHBondContact O-N 3.16Å; D371-T374 WeakPolarHBondContact OD2-CB 3.03Å; D371-T374 PolarHBondContact OD2-N 3.1Å; D371-T374 PolarHBondContact OD2-OG1 3.48Å; T374-S376 VanDerWaalsContact C-N 3.32Å; T374-S376 PolarHBondContact O-N 3.13Å; T374-I377 PolarHBondContact O-N 3.13Å; T374-Y378 PolarHBondContact O-N 3.39Å
375Y92Very high92.8Very high10 Ų1055.8 Ų55.84%0.03928%0.283CS..Hα-helixtrans-59.3-42.4176.5-172.4-102.8000112.2L11 P12 A348 C349 V353 W370 D371 K373 I377 Y378 C379 P387L11-Y375 HydrophobicContact CD2-CD2 4.13Å; P12-Y375 HydrophobicContact CG-CD2 3.96Å; P12-Y375 HydrophobicContact CG-CE2 4.22Å; A348-Y375 WeakPolarHBondContact CB-OH 3.47Å; A348-Y375 PolarHBondContact O-OH 3.24Å; C349-Y375 PolarHBondContact N-OH 3.41Å; V353-Y375 HydrophobicContact CG1-CD1 4.12Å; V353-Y375 HydrophobicContact CG1-CE1 3.86Å; W370-Y375 AromaticContact CH2-CD1 3.78Å; W370-Y375 HydrophobicContact CH2-CD1 3.78Å; W370-Y375 HydrophobicContact CH2-CD2 4.22Å; W370-Y375 HydrophobicContact CH2-CE1 4.29Å; W370-Y375 AromaticContact CH2-CG 3.75Å; W370-Y375 HydrophobicContact CH2-CG 3.75Å; W370-Y375 HydrophobicContact CZ3-CD1 4.48Å; W370-Y375 HydrophobicContact CZ3-CD2 4.12Å; W370-Y375 HydrophobicContact CZ3-CG 4.07Å; D371-Y375 WeakPolarHBondContact O-CB 3.45Å; D371-Y375 PolarHBondContact O-N 2.84Å; K373-Y375 VanDerWaalsContact C-N 3.34Å; Y375-I377 PolarHBondContact O-N 2.93Å; Y375-Y378 HydrophobicContact CE2-CD1 4.49Å; Y375-Y378 WeakPolarHBondContact O-CB 3.43Å; Y375-Y378 PolarHBondContact O-N 3.34Å; Y375-C379 PolarHBondContact O-N 2.86Å; Y375-C379 PolarHBondContact O-SG 2.97Å; Y375-C379 VanDerWaalsContact O-SG 3.34Å; Y375-P387 HydrophobicContact CD1-CG 3.9Å; Y375-P387 HydrophobicContact CE1-CG 3.93Å
376S95.1Very high92.9Very high32 Ų3259.1 Ų59.122%0.22431%0.307CS..Hα-helixtrans-65.1-38.3177.2-58.90000112.4L372 K373 T374 C379 Q380L372-S376 VanDerWaalsContact O-CB 3.29Å; L372-S376 WeakPolarHBondContact O-CB 3.46Å; L372-S376 PolarHBondContact O-N 3.34Å; L372-S376 PolarHBondContact O-OG 3.3Å; K373-S376 PolarHBondContact O-N 3.39Å; T374-S376 VanDerWaalsContact C-N 3.32Å; T374-S376 PolarHBondContact O-N 3.13Å; S376-C379 PolarHBondContact O-N 2.82Å; S376-Q380 WeakPolarHBondContact O-CB 3.26Å; S376-Q380 PolarHBondContact O-N 2.76Å
377I95.9Very high93Very high85 Ų8559.9 Ų59.944%0.43631%0.311SS..Hα-helixtrans-63.8-42.9175.1-69.6165.1000110.6K373 T374 Y375 C379 Q380 N381K373-I377 HydrophobicContact CG-CD1 4.25Å; K373-I377 WeakPolarHBondContact O-CG1 3.31Å; K373-I377 PolarHBondContact O-N 2.9Å; T374-I377 PolarHBondContact O-N 3.13Å; Y375-I377 PolarHBondContact O-N 2.93Å; I377-C379 PolarHBondContact O-N 3.12Å; I377-Q380 PolarHBondContact O-N 3.34Å; I377-N381 WeakPolarHBondContact O-CB 3.44Å; I377-N381 VanDerWaalsContact O-CG 3.24Å; I377-N381 PolarHBondContact O-N 3.23Å; I377-N381 PolarHBondContact O-ND2 3.1Å
378Y91.7Very high93.2Very high40 Ų4065.5 Ų65.516%0.15733%0.325CS..Hα-helixtrans-56.6-50.3174.7162.1-96.8000111.6L11 R20 D345 T374 Y375 Q380 N381 R382L11-Y378 HydrophobicContact CD1-CD2 3.98Å; L11-Y378 HydrophobicContact CD1-CE2 4.07Å; L11-Y378 HydrophobicContact CD1-CG 4.46Å; L11-Y378 HydrophobicContact CD2-CD1 4.05Å; L11-Y378 HydrophobicContact CD2-CD2 4.26Å; L11-Y378 HydrophobicContact CD2-CG 3.91Å; R20-Y378 PolarHBondContact NH2-OH 3.16Å; D345-Y378 VanDerWaalsContact CG-OH 3.26Å; D345-Y378 PolarHBondContact OD1-OH 3.18Å; D345-Y378 PolarHBondContact OD2-OH 3.01Å; T374-Y378 PolarHBondContact O-N 3.39Å; Y375-Y378 HydrophobicContact CE2-CD1 4.49Å; Y375-Y378 WeakPolarHBondContact O-CB 3.43Å; Y375-Y378 PolarHBondContact O-N 3.34Å; Y378-Q380 VanDerWaalsContact C-N 3.34Å; Y378-Q380 PolarHBondContact O-N 2.66Å; Y378-N381 PolarHBondContact O-N 3.03Å; Y378-R382 VanDerWaalsContact CZ-CD 3.48Å; Y378-R382 WeakPolarHBondContact O-CB 3.33Å; Y378-R382 PolarHBondContact O-N 3.16Å; Y378-R382 WeakPolarHBondContact OH-CD 3.4Å; Y378-R382 PolarHBondContact OH-NE 2.89Å
379C94.5Very high93.4Very high0 Ų066.3 Ų66.30%033%0.329CS..Hα-helixtrans-62.9-39.5179-65.20000112.9C349 Y375 S376 I377 F383 G384 V385 P387C349-C379 WeakPolarHBondContact CA-SG 3.37Å; C349-C379 HydrophobicContact CB-CB 3.59Å; C349-C379 WeakPolarHBondContact CB-SG 3.17Å; C349-C379 WeakPolarHBondContact SG-CA 3.32Å; C349-C379 WeakPolarHBondContact SG-CB 3.46Å; C349-C379 CovalentContact SG-SG 2.04Å; C349-C379 PolarHBondContact SG-SG 2.64Å; Y375-C379 PolarHBondContact O-N 2.86Å; Y375-C379 PolarHBondContact O-SG 2.97Å; Y375-C379 VanDerWaalsContact O-SG 3.34Å; S376-C379 PolarHBondContact O-N 2.82Å; I377-C379 PolarHBondContact O-N 3.12Å; C379-F383 PolarHBondContact O-N 3.4Å; C379-G384 PolarHBondContact O-N 3.29Å; C379-V385 CarbonylContact C-O 3.6Å; C379-V385 HydrophobicContact CB-CG2 4.41Å; C379-V385 WeakPolarHBondContact CB-O 3.43Å; C379-P387 HydrophobicContact CB-CG 4.28Å
380Q95.7Very high93.5Very high89 Ų8964.8 Ų64.842%0.41632%0.317SS..Hα-helixtrans-65.4-40.9176.8-176.459.837.400111.5S376 I377 Y378 G384 V385S376-Q380 WeakPolarHBondContact O-CB 3.26Å; S376-Q380 PolarHBondContact O-N 2.76Å; I377-Q380 PolarHBondContact O-N 3.34Å; Y378-Q380 VanDerWaalsContact C-N 3.34Å; Y378-Q380 PolarHBondContact O-N 2.66Å; Q380-G384 WeakPolarHBondContact O-CA 3.45Å; Q380-G384 PolarHBondContact O-N 2.86Å; Q380-V385 WeakPolarHBondContact CA-O 3.17Å; Q380-V385 PolarHBondContact N-O 3.22Å; Q380-V385 VanDerWaalsContact N-O 3.14Å
381N94.1Very high93.8Very high133 Ų13366.7 Ų66.771%0.71133%0.325SS*.Hα-helixtrans-71.1-39.6179.3-72.2-16.3000112.5I377 Y378I377-N381 WeakPolarHBondContact O-CB 3.44Å; I377-N381 VanDerWaalsContact O-CG 3.24Å; I377-N381 PolarHBondContact O-N 3.23Å; I377-N381 PolarHBondContact O-ND2 3.1Å; Y378-N381 PolarHBondContact O-N 3.03Å
382R89.7Confident93.7Very high109 Ų10963.2 Ų63.241%0.41131%0.306SS..Hα-helixtrans-81.2-42.6-175.2-170.9172.3177.888.2-1.6113.1D345 Y378D345-R382 IonicContact OD2-CZ 2.78Å; D345-R382 IonicContact OD2-NE 3.41Å; D345-R382 PolarHBondContact OD2-NE 3.04Å; D345-R382 IonicContact OD2-NH2 3.53Å; D345-R382 PolarHBondContact OD2-NH2 2.05Å; Y378-R382 VanDerWaalsContact CZ-CD 3.48Å; Y378-R382 WeakPolarHBondContact O-CB 3.33Å; Y378-R382 PolarHBondContact O-N 3.16Å; Y378-R382 WeakPolarHBondContact OH-CD 3.4Å; Y378-R382 PolarHBondContact OH-NE 2.89Å
383F92.1Very high93.5Very high34 Ų3464.1 Ų64.115%0.14931%0.307CS..Hα-helixtrans-125-8.9-170.7-57.6-62.9000113.7F127 D345 L346 C349 C379 V385F127-F383 HydrophobicContact CZ-CB 4.39Å; F127-F383 WeakPolarHBondContact CZ-O 3.34Å; D345-F383 HydrophobicContact CB-CE2 4.4Å; D345-F383 HydrophobicContact CB-CZ 4.17Å; L346-F383 HydrophobicContact CB-CE1 4.31Å; L346-F383 HydrophobicContact CB-CE2 4.36Å; L346-F383 HydrophobicContact CB-CZ 4.16Å; L346-F383 HydrophobicContact CD1-CB 3.86Å; L346-F383 HydrophobicContact CD1-CD1 3.94Å; L346-F383 HydrophobicContact CD1-CD2 4.01Å; L346-F383 HydrophobicContact CD1-CE1 4.46Å; L346-F383 HydrophobicContact CD1-CG 3.68Å; C349-F383 HydrophobicContact CB-CD2 3.91Å; C349-F383 HydrophobicContact CB-CE2 4.27Å; C379-F383 PolarHBondContact O-N 3.4Å; F383-V385 VanDerWaalsContact C-N 3.27Å; F383-V385 HydrophobicContact CB-CG1 4.49Å; F383-V385 HydrophobicContact CB-CG2 3.95Å; F383-V385 PolarHBondContact O-N 3.1Å
384G95.2Very high93.3Very high18 Ų1861.8 Ų61.819%0.18631%0.306CS..SBendtrans69.425.7-176.200000113.7R124 C379 Q380R124-G384 WeakPolarHBondContact CD-O 3.3Å; R124-G384 PolarHBondContact NH1-O 3.01Å; C379-G384 PolarHBondContact O-N 3.29Å; Q380-G384 WeakPolarHBondContact O-CA 3.45Å; Q380-G384 PolarHBondContact O-N 2.86Å
385V95.1Very high93.5Very high20 Ų2061.3 Ų61.312%0.12130%0.301CS..  trans-121.2153.2178.3-55.70000110.7R124 F127 C349 M350 C379 Q380 F383R124-V385 HydrophobicContact CG-CG1 4.15Å; F127-V385 HydrophobicContact CE2-CG1 3.83Å; F127-V385 HydrophobicContact CZ-CG1 4.19Å; C349-V385 HydrophobicContact CB-CG2 4.08Å; M350-V385 HydrophobicContact CG-CB 4.47Å; M350-V385 HydrophobicContact CG-CG2 4.04Å; C379-V385 CarbonylContact C-O 3.6Å; C379-V385 HydrophobicContact CB-CG2 4.41Å; C379-V385 WeakPolarHBondContact CB-O 3.43Å; Q380-V385 WeakPolarHBondContact CA-O 3.17Å; Q380-V385 PolarHBondContact N-O 3.22Å; Q380-V385 VanDerWaalsContact N-O 3.14Å; F383-V385 VanDerWaalsContact C-N 3.27Å; F383-V385 HydrophobicContact CB-CG1 4.49Å; F383-V385 HydrophobicContact CB-CG2 3.95Å; F383-V385 PolarHBondContact O-N 3.1Å
386S94.8Very high93.6Very high75 Ų7561.1 Ų61.152%0.52430%0.3SS..  trans-111.4136.2170.6-61.50000109.7
387P95.5Very high93.5Very high17 Ų1763.1 Ų63.111%0.1130%0.303CS..  trans-62.7138.4179.3-16.826.7000112.8C349 V353 Y375 C379 V389C349-P387 WeakPolarHBondContact O-CA 3.49Å; V353-P387 HydrophobicContact CG2-CB 3.45Å; V353-P387 VanDerWaalsContact CG2-CB 3.45Å; Y375-P387 HydrophobicContact CD1-CG 3.9Å; Y375-P387 HydrophobicContact CE1-CG 3.93Å; C379-P387 HydrophobicContact CB-CG 4.28Å; P387-V389 HydrophobicContact CB-CG1 4.33Å; P387-V389 PolarHBondContact O-N 3.43Å
388R94.8Very high93.3Very high182 Ų18259.6 Ų59.669%0.68729%0.286SS*.  trans-98.169.4178.3-65.8-176.7-179.5174.81.7111M350 E390 W391 P392M350-R388 PolarHBondContact O-N 2.66Å; R388-E390 PolarHBondContact O-N 3.38Å; R388-E390 VanDerWaalsContact O-N 3.09Å; R388-W391 HydrophobicContact CB-CB 3.91Å; R388-W391 VanDerWaalsContact O-CB 3.31Å; R388-W391 WeakPolarHBondContact O-CB 3.48Å; R388-W391 PolarHBondContact O-N 3.45Å; R388-P392 WeakPolarHBondContact O-CD 3.27Å
389V93.8Very high93.4Very high25 Ų2561.6 Ų61.615%0.15230%0.295CS..THydrogen-bonded Turntrans-60.3-24.1-169.7-61.80000116P195 V353 L372 P387P195-V389 HydrophobicContact CG-CB 4.12Å; P195-V389 HydrophobicContact CG-CG1 4.04Å; V353-V389 HydrophobicContact CB-CG1 4.34Å; V353-V389 HydrophobicContact CG1-CG1 4.07Å; V353-V389 HydrophobicContact CG2-CG1 4.16Å; L372-V389 HydrophobicContact CD1-CG1 3.61Å; L372-V389 HydrophobicContact CD2-CG1 4.04Å; L372-V389 HydrophobicContact CD2-CG2 4.21Å; P387-V389 HydrophobicContact CB-CG1 4.33Å; P387-V389 PolarHBondContact O-N 3.43Å
390E92.9Very high93.3Very high110 Ų11065.3 Ų65.351%0.51432%0.321SS..THydrogen-bonded Turntrans-87.4-16.1177.9-62.4-57.2125.200113R388 K393R388-E390 PolarHBondContact O-N 3.38Å; R388-E390 VanDerWaalsContact O-N 3.09Å; E390-K393 WeakPolarHBondContact O-CB 3.46Å; E390-K393 PolarHBondContact O-N 3Å; E390-K393 IonicContact OE1-NZ 3.65Å; E390-K393 PolarHBondContact OE1-NZ 2.89Å; E390-K393 WeakPolarHBondContact OE2-CD 3.35Å; E390-K393 WeakPolarHBondContact OE2-CE 3.26Å; E390-K393 IonicContact OE2-NZ 3.81Å; E390-K393 PolarHBondContact OE2-NZ 3.36Å
391W94.5Very high93.2Very high96 Ų9661.2 Ų61.236%0.36430%0.302SS..Hα-helixtrans-63.4-45.6-174.6178.5-112000113.5E133 R388 K393 V394 E395E133-W391 PolarHBondContact OE1-NE1 2.59Å; R388-W391 HydrophobicContact CB-CB 3.91Å; R388-W391 VanDerWaalsContact O-CB 3.31Å; R388-W391 WeakPolarHBondContact O-CB 3.48Å; R388-W391 PolarHBondContact O-N 3.45Å; W391-K393 PolarHBondContact O-N 2.88Å; W391-K393 VanDerWaalsContact O-N 3.08Å; W391-V394 PolarHBondContact O-N 2.92Å; W391-E395 HydrophobicContact CD2-CB 4.33Å; W391-E395 HydrophobicContact CZ2-CB 3.93Å; W391-E395 HydrophobicContact CZ2-CG 4.1Å; W391-E395 PolarHBondContact O-N 3.08Å
392P90.9Very high93.2Very high0 Ų061.8 Ų61.80%030%0.295CS..Hα-helixtrans-57.1-25.6175.5-30.238.9000115F194 E351 R388 V394 F396F194-P392 HydrophobicContact CB-CB 4.18Å; F194-P392 HydrophobicContact CD1-CB 3.42Å; F194-P392 VanDerWaalsContact CD1-CB 3.42Å; F194-P392 HydrophobicContact CD1-CG 3.31Å; F194-P392 HydrophobicContact CD2-CB 3.59Å; F194-P392 HydrophobicContact CD2-CG 4.42Å; F194-P392 HydrophobicContact CE1-CB 3.54Å; F194-P392 HydrophobicContact CE1-CG 3.41Å; F194-P392 VanDerWaalsContact CE1-CG 3.41Å; F194-P392 HydrophobicContact CE2-CB 3.72Å; F194-P392 HydrophobicContact CG-CB 3.44Å; F194-P392 VanDerWaalsContact CG-CB 3.44Å; F194-P392 HydrophobicContact CG-CG 3.86Å; F194-P392 HydrophobicContact CZ-CB 3.69Å; F194-P392 HydrophobicContact CZ-CG 4.04Å; E351-P392 WeakPolarHBondContact O-CG 3.44Å; R388-P392 WeakPolarHBondContact O-CD 3.27Å; P392-V394 VanDerWaalsContact C-N 3.34Å; P392-F396 HydrophobicContact CB-CD2 3.92Å; P392-F396 WeakPolarHBondContact O-CB 3.3Å; P392-F396 PolarHBondContact O-N 3.38Å
393K87.9Confident93.5Very high77 Ų7760.2 Ų60.234%0.33530%0.298SS..Hα-helixtrans-68.1-35.6176.5-59.3178.3-171.3164.10112.9E390 W391 S398E390-K393 WeakPolarHBondContact O-CB 3.46Å; E390-K393 PolarHBondContact O-N 3Å; E390-K393 IonicContact OE1-NZ 3.65Å; E390-K393 PolarHBondContact OE1-NZ 2.89Å; E390-K393 WeakPolarHBondContact OE2-CD 3.35Å; E390-K393 WeakPolarHBondContact OE2-CE 3.26Å; E390-K393 IonicContact OE2-NZ 3.81Å; E390-K393 PolarHBondContact OE2-NZ 3.36Å; W391-K393 PolarHBondContact O-N 2.88Å; W391-K393 VanDerWaalsContact O-N 3.08Å; K393-S398 WeakPolarHBondContact CA-OG 3.42Å; K393-S398 WeakPolarHBondContact CG-OG 3.46Å
394V91.7Very high93.7Very high102 Ų10258.9 Ų58.962%0.61829%0.292SS*.Hα-helixtrans-82.3-52177-178.10000109.7W391 P392W391-V394 PolarHBondContact O-N 2.92Å; P392-V394 VanDerWaalsContact C-N 3.34Å
395E94.9Very high93.8Very high34 Ų3460.6 Ų60.616%0.15930%0.299CS..Hα-helixtrans-75.4-42.5-167.8-175.359.6-156.200113E133 K176 W391E133-E395 HydrophobicContact CG-CG 3.85Å; E133-E395 WeakPolarHBondContact CG-OE1 3.47Å; E133-E395 WeakPolarHBondContact OE1-CG 3.38Å; K176-E395 WeakPolarHBondContact CE-O 3.47Å; K176-E395 VanDerWaalsContact CE-OE1 3.28Å; K176-E395 WeakPolarHBondContact CE-OE1 3.17Å; K176-E395 PolarHBondContact NZ-O 3.33Å; K176-E395 IonicContact NZ-OE1 2.65Å; K176-E395 PolarHBondContact NZ-OE1 2.94Å; K176-E395 IonicContact NZ-OE2 3.92Å; K176-E395 PolarHBondContact NZ-OE2 3.33Å; K176-E395 VanDerWaalsContact NZ-OE2 3.07Å; W391-E395 HydrophobicContact CD2-CB 4.33Å; W391-E395 HydrophobicContact CZ2-CB 3.93Å; W391-E395 HydrophobicContact CZ2-CG 4.1Å; W391-E395 PolarHBondContact O-N 3.08Å
396F94.6Very high93.9Very high5 Ų561.2 Ų61.22%0.02230%0.302CS..SBendtrans-107.314.2-173.5-53.4-51.2000113.8A132 W172 F194 M352 P392 S398A132-F396 HydrophobicContact CB-CE1 4.2Å; A132-F396 HydrophobicContact CB-CZ 3.76Å; W172-F396 HydrophobicContact CB-CD1 4.42Å; W172-F396 HydrophobicContact CD2-CB 4.47Å; W172-F396 AromaticContact CD2-CD1 3.49Å; W172-F396 HydrophobicContact CD2-CD1 3.49Å; W172-F396 VanDerWaalsContact CD2-CD1 3.49Å; W172-F396 AromaticContact CD2-CE1 3.93Å; W172-F396 HydrophobicContact CD2-CE1 3.93Å; W172-F396 AromaticContact CD2-CG 3.98Å; W172-F396 HydrophobicContact CD2-CG 3.98Å; W172-F396 AromaticContact CE2-CD1 3.6Å; W172-F396 AromaticContact CE2-CG 3.55Å; W172-F396 AromaticContact CE3-CD1 3.86Å; W172-F396 HydrophobicContact CE3-CD1 3.86Å; W172-F396 AromaticContact CE3-CE1 3.79Å; W172-F396 HydrophobicContact CE3-CE1 3.79Å; W172-F396 HydrophobicContact CE3-CG 4.44Å; W172-F396 HydrophobicContact CE3-CZ 4.32Å; W172-F396 AromaticContact CG-CD1 3.76Å; W172-F396 HydrophobicContact CG-CD1 3.76Å; W172-F396 HydrophobicContact CG-CE1 4.4Å; W172-F396 HydrophobicContact CG-CG 4.44Å; W172-F396 HydrophobicContact CH2-CD1 4.32Å; W172-F396 AromaticContact CH2-CD2 3.95Å; W172-F396 HydrophobicContact CH2-CD2 3.95Å; W172-F396 HydrophobicContact CH2-CE1 4.42Å; W172-F396 HydrophobicContact CH2-CE2 4.07Å; W172-F396 HydrophobicContact CH2-CG 4.13Å; W172-F396 HydrophobicContact CH2-CZ 4.34Å; W172-F396 HydrophobicContact CZ2-CB 3.95Å; W172-F396 HydrophobicContact CZ2-CD1 4.01Å; W172-F396 AromaticContact CZ2-CD2 3.77Å; W172-F396 HydrophobicContact CZ2-CD2 3.77Å; W172-F396 HydrophobicContact CZ2-CE2 4.35Å; W172-F396 AromaticContact CZ2-CG 3.62Å; W172-F396 HydrophobicContact CZ2-CG 3.62Å; W172-F396 HydrophobicContact CZ3-CD1 4.26Å; W172-F396 HydrophobicContact CZ3-CD2 4.5Å; W172-F396 HydrophobicContact CZ3-CE1 4.06Å; W172-F396 HydrophobicContact CZ3-CE2 4.32Å; W172-F396 HydrophobicContact CZ3-CZ 4.13Å; W172-F396 AromaticContact NE1-CD1 3.94Å; W172-F396 AromaticContact NE1-CG 3.86Å; F194-F396 HydrophobicContact CE2-CD2 4.25Å; F194-F396 AromaticContact CZ-CD2 3.89Å; F194-F396 HydrophobicContact CZ-CD2 3.89Å; F194-F396 HydrophobicContact CZ-CE2 4.42Å; M352-F396 HydrophobicContact CE-CE2 4.25Å; P392-F396 HydrophobicContact CB-CD2 3.92Å; P392-F396 WeakPolarHBondContact O-CB 3.3Å; P392-F396 PolarHBondContact O-N 3.38Å; F396-S398 PolarHBondContact O-N 3.12Å
397W94.1Very high94.1Very high75 Ų7557.7 Ų57.728%0.28428%0.277SS..  trans64.8-5.6173-49.3-12.8000116.4Q175 K399 S400 V401 V404Q175-W397 HydrophobicContact CB-CE3 4.31Å; Q175-W397 HydrophobicContact CB-CH2 3.6Å; Q175-W397 HydrophobicContact CB-CZ2 4.03Å; Q175-W397 HydrophobicContact CB-CZ3 3.77Å; Q175-W397 HydrophobicContact CG-CE3 4Å; Q175-W397 HydrophobicContact CG-CH2 4.02Å; Q175-W397 HydrophobicContact CG-CZ3 3.63Å; W397-K399 PolarHBondContact O-N 3.41Å; W397-K399 VanDerWaalsContact O-N 3.16Å; W397-S400 WeakPolarHBondContact O-CA 3.4Å; W397-S400 WeakPolarHBondContact O-CB 3.49Å; W397-S400 PolarHBondContact O-N 3.04Å; W397-V401 HydrophobicContact CB-CG1 4.14Å; W397-V404 HydrophobicContact CE3-CG1 3.93Å; W397-V404 HydrophobicContact CZ3-CG1 3.79Å
398S90.8Very high94.3Very high11 Ų1156.9 Ų56.98%0.07727%0.272CS..THydrogen-bonded Turntrans46.9-119.3177.2-80.70000113W192 L197 K393 F396 V401W192-S398 PolarHBondContact NE1-O 3.12Å; L197-S398 VanDerWaalsContact CD1-OG 3.26Å; L197-S398 WeakPolarHBondContact CD1-OG 3.17Å; K393-S398 WeakPolarHBondContact CA-OG 3.42Å; K393-S398 WeakPolarHBondContact CG-OG 3.46Å; F396-S398 PolarHBondContact O-N 3.12Å; S398-V401 WeakPolarHBondContact O-CG1 3.13Å
399K93.2Very high94.5Very high82 Ų8248.2 Ų48.236%0.35724%0.239SC..THydrogen-bonded Turntrans-85.6-7.9180-65.7-85.2168.4170.30112.9W192 L197 W397 V401W192-K399 HydrophobicContact CD2-CD 3.83Å; W192-K399 VanDerWaalsContact CE2-CD 3.5Å; W192-K399 HydrophobicContact CE3-CD 4.24Å; W192-K399 HydrophobicContact CG-CD 4.31Å; W192-K399 HydrophobicContact CH2-CD 3.95Å; W192-K399 HydrophobicContact CZ2-CD 3.58Å; W192-K399 HydrophobicContact CZ3-CD 4.27Å; L197-K399 HydrophobicContact CD2-CG 4.21Å; L197-K399 WeakPolarHBondContact O-CE 3.33Å; L197-K399 PolarHBondContact O-NZ 3.27Å; W397-K399 PolarHBondContact O-N 3.41Å; W397-K399 VanDerWaalsContact O-N 3.16Å; K399-V401 PolarHBondContact O-N 3.34Å
400S93Very high94.7Very high78 Ų7847 Ų4755%0.54523%0.232SC..  trans-85.744.2-177.7-60.30000112.6W397W397-S400 WeakPolarHBondContact O-CA 3.4Å; W397-S400 WeakPolarHBondContact O-CB 3.49Å; W397-S400 PolarHBondContact O-N 3.04Å
401V94.3Very high95Very high3 Ų341.9 Ų41.92%0.01821%0.208CC..  trans-97.914.1-174.2-69.70000113.6W192 W397 S398 K399 T403 V404 I422 V428W192-V401 HydrophobicContact CZ2-CG2 4.22Å; W397-V401 HydrophobicContact CB-CG1 4.14Å; S398-V401 WeakPolarHBondContact O-CG1 3.13Å; K399-V401 PolarHBondContact O-N 3.34Å; V401-T403 PolarHBondContact O-N 2.92Å; V401-T403 VanDerWaalsContact O-N 3.08Å; V401-V404 HydrophobicContact CB-CG1 3.82Å; V401-V404 HydrophobicContact CB-CG2 4.49Å; V401-V404 HydrophobicContact CG1-CG1 4.21Å; V401-V404 VanDerWaalsContact O-CG1 3.29Å; V401-V404 WeakPolarHBondContact O-CG1 3.15Å; V401-V404 WeakPolarHBondContact O-CG2 3.23Å; V401-V404 PolarHBondContact O-N 3.19Å; V401-V404 VanDerWaalsContact O-N 3.11Å; V401-I422 HydrophobicContact CG2-CD1 3.81Å; V401-V428 HydrophobicContact CB-CG1 4.26Å; V401-V428 HydrophobicContact CG2-CG1 3.71Å
402Y94.3Very high95.2Very high145 Ų14537.3 Ų37.357%0.56919%0.191SC*.THydrogen-bonded Turntrans-64.8-15.1-176.664.1-87.1000114.4F430Y402-F430 WeakPolarHBondContact O-CD2 3.37Å
403T94.8Very high95.5Very high76 Ų7641.8 Ų41.847%0.46621%0.212SC..THydrogen-bonded Turntrans-96.5-2.3177.856.90000113.9V401V401-T403 PolarHBondContact O-N 2.92Å; V401-T403 VanDerWaalsContact O-N 3.08Å
404V96.4Very high95.9Very high5 Ų538.5 Ų38.53%0.0320%0.198CC..  trans-67.3140.4-179.2-55.90000110.4Q175 W397 V401 I407 F409 V428 F430 A431Q175-V404 HydrophobicContact CG-CG1 3.89Å; W397-V404 HydrophobicContact CE3-CG1 3.93Å; W397-V404 HydrophobicContact CZ3-CG1 3.79Å; V401-V404 HydrophobicContact CB-CG1 3.82Å; V401-V404 HydrophobicContact CB-CG2 4.49Å; V401-V404 HydrophobicContact CG1-CG1 4.21Å; V401-V404 VanDerWaalsContact O-CG1 3.29Å; V401-V404 WeakPolarHBondContact O-CG1 3.15Å; V401-V404 WeakPolarHBondContact O-CG2 3.23Å; V401-V404 PolarHBondContact O-N 3.19Å; V401-V404 VanDerWaalsContact O-N 3.11Å; V404-I407 HydrophobicContact CB-CD1 4.08Å; V404-I407 HydrophobicContact CG2-CD1 4.48Å; V404-F409 HydrophobicContact CG2-CE2 4.31Å; V404-V428 HydrophobicContact CG2-CB 4.15Å; V404-V428 HydrophobicContact CG2-CG1 3.79Å; V404-F430 CarbonylContact O-C 3.59Å; V404-F430 WeakPolarHBondContact O-CB 3.3Å; V404-A431 HydrophobicContact CG2-CB 3.95Å
405T97.5Very high96.2Very high54 Ų5433.7 Ų33.733%0.33117%0.168SC..  trans-131.8150.1-177.758.90000111R174 I407 F430R174-T405 PolarHBondContact NE-O 3.18Å; R174-T405 PolarHBondContact NH2-OG1 2.55Å; T405-I407 VanDerWaalsContact C-N 3.29Å; T405-I407 PolarHBondContact O-N 2.61Å; T405-F430 HydrophobicContact CG2-CB 3.93Å
406N98.2Very high96.3Very high34 Ų3432 Ų3218%0.18216%0.161CC..SBendtrans56.742.1175.8-58.94.6000112.9A182 G183 A184 W470A182-N406 WeakPolarHBondContact O-CB 3.19Å; A182-N406 PolarHBondContact O-ND2 3Å; A182-N406 VanDerWaalsContact O-ND2 3.09Å; G183-N406 CarbonylContact C-O 3.53Å; G183-N406 WeakPolarHBondContact CA-O 3.31Å; A184-N406 PolarHBondContact N-O 3.06Å; N406-W470 VanDerWaalsContact C-CZ2 3.42Å; N406-W470 HydrophobicContact CB-CD2 4.05Å; N406-W470 HydrophobicContact CB-CG 4.14Å; N406-W470 HydrophobicContact CB-CZ2 4.14Å; N406-W470 PolarHBondContact OD1-NE1 2.87Å
407I98.7Very high96.4Very high1 Ų132 Ų321%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-121.9136171.7-54.7176.6000107.7A171 R174 Q175 A184 A186 V404 T405 F409 A431 T432A171-I407 HydrophobicContact CB-CD1 4.37Å; A171-I407 HydrophobicContact CB-CG2 4.4Å; R174-I407 HydrophobicContact CB-CD1 4.23Å; R174-I407 HydrophobicContact CB-CG1 4.16Å; R174-I407 HydrophobicContact CG-CD1 4.01Å; R174-I407 HydrophobicContact CG-CG1 3.65Å; Q175-I407 HydrophobicContact CG-CD1 4.09Å; A184-I407 HydrophobicContact CB-CG1 4.37Å; A184-I407 HydrophobicContact CB-CG2 4.45Å; A184-I407 CarbonylContact O-C 3.51Å; A184-I407 WeakPolarHBondContact O-CA 3.47Å; A186-I407 HydrophobicContact CB-CG2 4.1Å; V404-I407 HydrophobicContact CB-CD1 4.08Å; V404-I407 HydrophobicContact CG2-CD1 4.48Å; T405-I407 VanDerWaalsContact C-N 3.29Å; T405-I407 PolarHBondContact O-N 2.61Å; I407-F409 HydrophobicContact CB-CE2 3.96Å; I407-F409 HydrophobicContact CB-CZ 4.3Å; I407-F409 HydrophobicContact CD1-CZ 4.32Å; I407-F409 HydrophobicContact CG2-CD1 4.39Å; I407-F409 HydrophobicContact CG2-CD2 3.96Å; I407-F409 HydrophobicContact CG2-CE1 4.02Å; I407-F409 HydrophobicContact CG2-CE2 3.54Å; I407-F409 HydrophobicContact CG2-CG 4.37Å; I407-F409 HydrophobicContact CG2-CZ 3.58Å; I407-A431 WeakPolarHBondContact O-CB 3.43Å; I407-T432 PolarHBondContact O-N 2.59Å
408I98.8Very high96.6Very high0 Ų029.1 Ų29.10%015%0.152CC..EExtended strand (participates in β ladder)trans-100.4128.4161.2-73.1168.5000108A184 I185 A186 T432 I434 E463 K466 W470A184-I408 PolarHBondContact O-N 2.98Å; I185-I408 HydrophobicContact CD1-CB 3.94Å; I185-I408 HydrophobicContact CD1-CD1 3.66Å; I185-I408 HydrophobicContact CD1-CG1 4.21Å; A186-I408 WeakPolarHBondContact CA-O 3.25Å; A186-I408 WeakPolarHBondContact CB-O 3.45Å; A186-I408 PolarHBondContact N-O 3.4Å; I408-T432 CarbonylContact C-O 3.55Å; I408-T432 VanDerWaalsContact CA-O 3.26Å; I408-T432 WeakPolarHBondContact CA-O 3.29Å; I408-T432 HydrophobicContact CG1-CG2 4.35Å; I408-I434 HydrophobicContact CD1-CD1 4.5Å; I408-I434 HydrophobicContact CG2-CD1 3.8Å; I408-I434 HydrophobicContact CG2-CG1 4.15Å; I408-E463 HydrophobicContact CD1-CB 4.19Å; I408-E463 HydrophobicContact CD1-CG 3.8Å; I408-E463 HydrophobicContact CG2-CG 4.24Å; I408-K466 HydrophobicContact CD1-CB 3.74Å; I408-K466 HydrophobicContact CD1-CG 3.91Å; I408-W470 HydrophobicContact CD1-CH2 4.03Å; I408-W470 HydrophobicContact CG1-CH2 3.88Å; I408-W470 HydrophobicContact CG1-CZ2 4.29Å
409F98.7Very high96.8Very high0 Ų029.9 Ų29.90%016%0.159CC..EExtended strand (participates in β ladder)trans-103.796.9165.6-63-83.8000107.8A171 A186 V191 V404 I407 I422 V428 A431 T432 V433 I434A171-F409 HydrophobicContact CB-CE1 3.84Å; A171-F409 HydrophobicContact CB-CZ 4.16Å; A186-F409 HydrophobicContact CB-CD1 3.95Å; A186-F409 HydrophobicContact CB-CE1 4.15Å; A186-F409 WeakPolarHBondContact O-CA 3.43Å; V191-F409 HydrophobicContact CG1-CE1 4.24Å; V191-F409 HydrophobicContact CG2-CE1 4.31Å; V404-F409 HydrophobicContact CG2-CE2 4.31Å; I407-F409 HydrophobicContact CB-CE2 3.96Å; I407-F409 HydrophobicContact CB-CZ 4.3Å; I407-F409 HydrophobicContact CD1-CZ 4.32Å; I407-F409 HydrophobicContact CG2-CD1 4.39Å; I407-F409 HydrophobicContact CG2-CD2 3.96Å; I407-F409 HydrophobicContact CG2-CE1 4.02Å; I407-F409 HydrophobicContact CG2-CE2 3.54Å; I407-F409 HydrophobicContact CG2-CG 4.37Å; I407-F409 HydrophobicContact CG2-CZ 3.58Å; F409-I422 HydrophobicContact CB-CB 4.36Å; F409-I422 HydrophobicContact CD1-CB 4.47Å; F409-I422 HydrophobicContact CD1-CD1 4.24Å; F409-I422 HydrophobicContact CD1-CG1 4.43Å; F409-I422 HydrophobicContact CD2-CB 4.49Å; F409-I422 HydrophobicContact CD2-CD1 4.17Å; F409-I422 HydrophobicContact CE1-CD1 3.95Å; F409-I422 HydrophobicContact CE2-CD1 3.88Å; F409-I422 HydrophobicContact CG-CB 4.2Å; F409-I422 HydrophobicContact CG-CD1 4.34Å; F409-I422 HydrophobicContact CZ-CD1 3.76Å; F409-V428 HydrophobicContact CD2-CG2 4.45Å; F409-V428 HydrophobicContact CE2-CG1 4.25Å; F409-A431 HydrophobicContact CD2-CB 4.45Å; F409-A431 HydrophobicContact CE2-CB 4.28Å; F409-T432 PolarHBondContact N-O 3.41Å; F409-V433 HydrophobicContact CB-CG2 4.47Å; F409-V433 WeakPolarHBondContact O-CA 3.38Å; F409-I434 PolarHBondContact O-N 2.75Å
410S98.8Very high97Very high0 Ų026.1 Ų26.10%014%0.143CC..EExtended strand (participates in β ladder)trans-93.3139.9176.1520000109.8A186 S187 S188 I434 D444A186-S410 PolarHBondContact O-N 3.28Å; S187-S410 VanDerWaalsContact CA-OG 3.27Å; S187-S410 WeakPolarHBondContact CA-OG 3.06Å; S187-S410 WeakPolarHBondContact CB-OG 3.36Å; S187-S410 PolarHBondContact OG-OG 2.77Å; S188-S410 WeakPolarHBondContact CA-O 3.47Å; S188-S410 PolarHBondContact N-O 2.94Å; S410-I434 CarbonylContact C-O 3.51Å; S410-I434 VanDerWaalsContact CA-O 3.27Å; S410-I434 WeakPolarHBondContact CA-O 3.34Å; S410-D444 WeakPolarHBondContact CB-OD2 3.44Å; S410-D444 PolarHBondContact OG-OD2 3.19Å
411N98.7Very high97.2Very high1 Ų122.6 Ų22.61%0.00512%0.118CC..EExtended strand (participates in β ladder)trans-140.1136.4-178.3-63.6-75.4000110.9S421 I422 I434 N435 M436N411-S421 PolarHBondContact ND2-OG 3.22Å; N411-S421 WeakPolarHBondContact OD1-CB 3.36Å; N411-S421 PolarHBondContact OD1-OG 2.82Å; N411-I422 PolarHBondContact ND2-O 2.81Å; N411-I434 PolarHBondContact N-O 3.32Å; N411-N435 CarbonylContact O-C 3.45Å; N411-N435 WeakPolarHBondContact O-CA 3.38Å; N411-M436 PolarHBondContact O-N 2.96Å
412G98.5Very high97.4Very high0 Ų022.4 Ų22.40%012%0.117CC..EExtended strand (participates in β ladder)trans-77.2132.4165.400000111.6I414 D415 S418 A439G412-I414 PolarHBondContact O-N 2.73Å; G412-D415 WeakPolarHBondContact O-CB 3.47Å; G412-D415 PolarHBondContact O-N 3.24Å; G412-S418 WeakPolarHBondContact O-CB 3.48Å; G412-A439 CarbonylContact C-O 3.44Å; G412-A439 WeakPolarHBondContact CA-O 3.27Å
413E97.3Very high97.5Very high94 Ų9418.3 Ų18.344%0.43911%0.107SC..THydrogen-bonded Turntrans-65.3-26.1179.1-77.2-179.2-171.100113.4M436 S437 A439E413-M436 PolarHBondContact N-O 3.36Å; E413-S437 VanDerWaalsContact CD-CA 3.41Å; E413-S437 VanDerWaalsContact CD-OG 3.27Å; E413-S437 PolarHBondContact OE1-OG 2.98Å; E413-S437 VanDerWaalsContact OE2-CA 3.31Å; E413-S437 WeakPolarHBondContact OE2-CA 3.5Å; E413-S437 WeakPolarHBondContact OE2-CB 3.49Å; E413-S437 PolarHBondContact OE2-OG 2.85Å; E413-A439 PolarHBondContact N-O 2.93Å
414I97Very high97.6Very high9 Ų918.5 Ų18.55%0.04611%0.105CC..THydrogen-bonded Turntrans-101.62.818062161.7000112Y214 N274 W288 G412 P416 A439 A440Y214-I414 HydrophobicContact CE2-CD1 3.85Å; Y214-I414 HydrophobicContact CE2-CG2 3.93Å; N274-I414 HydrophobicContact CB-CD1 4.12Å; W288-I414 HydrophobicContact CZ3-CD1 3.97Å; G412-I414 PolarHBondContact O-N 2.73Å; I414-P416 WeakPolarHBondContact O-CD 3.23Å; I414-A439 WeakPolarHBondContact CG1-O 3.17Å; I414-A439 PolarHBondContact N-O 3.18Å; I414-A440 HydrophobicContact CD1-CB 4.13Å; I414-A440 HydrophobicContact CG1-CB 4.18Å
415D97.7Very high97.5Very high0 Ų022.4 Ų22.40%013%0.126CC..  trans-76.5118.2171.9176.510.8000110.1S188 T206 G412 W417 S418 H441S188-D415 WeakPolarHBondContact CB-OD2 3.2Å; S188-D415 PolarHBondContact OG-OD2 2.97Å; T206-D415 WeakPolarHBondContact CG2-O 3.34Å; G412-D415 WeakPolarHBondContact O-CB 3.47Å; G412-D415 PolarHBondContact O-N 3.24Å; D415-W417 PolarHBondContact O-N 3.1Å; D415-W417 VanDerWaalsContact O-N 3.12Å; D415-W417 WeakPolarHBondContact OD1-CB 3.38Å; D415-W417 PolarHBondContact OD1-N 3.42Å; D415-S418 VanDerWaalsContact O-CB 3.27Å; D415-S418 WeakPolarHBondContact O-CB 3.43Å; D415-S418 PolarHBondContact O-N 2.92Å; D415-S418 PolarHBondContact O-OG 3.46Å; D415-H441 IonicContact OD1-CG 3.06Å; D415-H441 IonicContact OD1-ND1 3.43Å; D415-H441 PolarHBondContact OD1-ND1 3.19Å; D415-H441 VanDerWaalsContact OD1-ND1 3.08Å; D415-H441 IonicContact OD2-CE1 2.82Å; D415-H441 IonicContact OD2-CG 3.59Å; D415-H441 IonicContact OD2-ND1 3.57Å; D415-H441 PolarHBondContact OD2-ND1 2.94Å
416P96.9Very high97.5Very high0 Ų023.7 Ų23.70%014%0.137CC..G310 helixtrans-54.1-31.5176.9-28.138.6000114.4F203 I207 I414 S418 A419F203-P416 HydrophobicContact CD1-CB 4.39Å; F203-P416 HydrophobicContact CD2-CB 3.47Å; F203-P416 VanDerWaalsContact CD2-CB 3.47Å; F203-P416 HydrophobicContact CE1-CB 4.31Å; F203-P416 HydrophobicContact CE2-CB 3.36Å; F203-P416 HydrophobicContact CE2-CG 4.44Å; F203-P416 HydrophobicContact CG-CB 4.01Å; F203-P416 HydrophobicContact CZ-CB 3.8Å; I207-P416 HydrophobicContact CD1-CB 4.38Å; I207-P416 HydrophobicContact CD1-CG 4.23Å; I207-P416 HydrophobicContact CG1-CB 3.82Å; I207-P416 HydrophobicContact CG1-CG 3.42Å; I207-P416 VanDerWaalsContact CG1-CG 3.42Å; I414-P416 WeakPolarHBondContact O-CD 3.23Å; P416-S418 PolarHBondContact O-N 3.42Å; P416-A419 WeakPolarHBondContact O-CB 3.25Å; P416-A419 PolarHBondContact O-N 2.95Å
417W96.9Very high97.4Very high3 Ų327.3 Ų27.31%0.01115%0.149CC..G310 helixtrans-72-16-179.5-68.1108.2000114F15 P190 F203 M272 T354 D415 A419 F420 H441F15-W417 HydrophobicContact CB-CH2 4.32Å; F15-W417 HydrophobicContact CB-CZ2 3.87Å; F15-W417 AromaticContact CD2-CE2 3.96Å; F15-W417 AromaticContact CD2-CZ2 3.82Å; F15-W417 HydrophobicContact CD2-CZ2 3.82Å; F15-W417 AromaticContact CD2-NE1 3.76Å; F15-W417 HydrophobicContact CG-CZ2 4.36Å; P190-W417 HydrophobicContact CB-CB 4.38Å; P190-W417 HydrophobicContact CB-CE3 3.86Å; P190-W417 HydrophobicContact CG-CD2 4.39Å; P190-W417 HydrophobicContact CG-CE3 3.9Å; F203-W417 HydrophobicContact CD2-CD2 4.21Å; F203-W417 HydrophobicContact CD2-CE3 4.28Å; F203-W417 HydrophobicContact CD2-CZ3 4.48Å; F203-W417 AromaticContact CE2-CD2 3.84Å; F203-W417 HydrophobicContact CE2-CD2 3.84Å; F203-W417 AromaticContact CE2-CE2 3.57Å; F203-W417 HydrophobicContact CE2-CE3 4.28Å; F203-W417 HydrophobicContact CE2-CG 4.27Å; F203-W417 HydrophobicContact CE2-CH2 4.23Å; F203-W417 AromaticContact CE2-CZ2 3.78Å; F203-W417 HydrophobicContact CE2-CZ2 3.78Å; F203-W417 HydrophobicContact CE2-CZ3 4.47Å; F203-W417 AromaticContact CE2-NE1 3.87Å; F203-W417 HydrophobicContact CZ-CZ2 4.39Å; M272-W417 PolarHBondContact SD-NE1 2.84Å; M272-W417 VanDerWaalsContact SD-NE1 3.42Å; T354-W417 HydrophobicContact CG2-CH2 4.33Å; T354-W417 HydrophobicContact CG2-CZ3 4.04Å; D415-W417 PolarHBondContact O-N 3.1Å; D415-W417 VanDerWaalsContact O-N 3.12Å; D415-W417 WeakPolarHBondContact OD1-CB 3.38Å; D415-W417 PolarHBondContact OD1-N 3.42Å; W417-A419 PolarHBondContact O-N 3.3Å; W417-A419 VanDerWaalsContact O-N 3.16Å; W417-F420 AromaticContact CE3-CD2 3.72Å; W417-F420 HydrophobicContact CE3-CD2 3.72Å; W417-F420 HydrophobicContact CE3-CE2 4.3Å; W417-F420 AromaticContact CZ3-CD2 3.71Å; W417-F420 HydrophobicContact CZ3-CD2 3.71Å; W417-F420 AromaticContact CZ3-CE2 4Å; W417-F420 HydrophobicContact CZ3-CE2 4Å; W417-F420 PolarHBondContact O-N 3.33Å; W417-H441 AromaticContact CD1-CE1 3.37Å; W417-H441 AromaticContact CD1-ND1 3.57Å; W417-H441 AromaticContact CG-CE1 3.84Å
418S97.3Very high97.3Very high15 Ų1527.3 Ų27.311%0.10515%0.149CC..G310 helixtrans-58.3-27.417466.20000112.6G412 D415 P416 F420 S421 T423G412-S418 WeakPolarHBondContact O-CB 3.48Å; D415-S418 VanDerWaalsContact O-CB 3.27Å; D415-S418 WeakPolarHBondContact O-CB 3.43Å; D415-S418 PolarHBondContact O-N 2.92Å; D415-S418 PolarHBondContact O-OG 3.46Å; P416-S418 PolarHBondContact O-N 3.42Å; S418-F420 PolarHBondContact O-N 2.72Å; S418-S421 PolarHBondContact O-N 2.96Å; S418-S421 VanDerWaalsContact O-N 3.16Å; S418-T423 WeakPolarHBondContact O-CG2 3.49Å
419A96.7Very high97.2Very high28 Ų2831.1 Ų31.123%0.23117%0.173CC..G310 helixtrans-60.8-23.917500000113.3S198 G202 P416 W417S198-A419 PolarHBondContact OG-O 3.49Å; G202-A419 VanDerWaalsContact C-CB 3.43Å; P416-A419 WeakPolarHBondContact O-CB 3.25Å; P416-A419 PolarHBondContact O-N 2.95Å; W417-A419 PolarHBondContact O-N 3.3Å; W417-A419 VanDerWaalsContact O-N 3.16Å
420F97.1Very high97Very high3 Ų337.6 Ų37.61%0.01320%0.202CC..G310 helixtrans-110.412.8-178.2-56.6-21.9000112.5P190 V191 W192 L193 D199 F203 T354 T356 W417 S418P190-F420 CarbonylContact C-O 3.2Å; P190-F420 WeakPolarHBondContact CA-O 2.89Å; P190-F420 HydrophobicContact CB-CB 3.67Å; V191-F420 PolarHBondContact N-O 2.99Å; W192-F420 CarbonylContact C-O 3.48Å; W192-F420 VanDerWaalsContact CA-O 3.32Å; W192-F420 WeakPolarHBondContact CA-O 3.43Å; W192-F420 WeakPolarHBondContact CB-O 3.33Å; W192-F420 PolarHBondContact N-O 2.69Å; L193-F420 HydrophobicContact CB-CB 4.18Å; L193-F420 HydrophobicContact CB-CD2 4.18Å; L193-F420 HydrophobicContact CB-CG 4.45Å; D199-F420 WeakPolarHBondContact O-CE1 3.36Å; F203-F420 HydrophobicContact CB-CE1 4.48Å; F203-F420 HydrophobicContact CB-CE2 3.96Å; F203-F420 HydrophobicContact CB-CZ 3.69Å; F203-F420 HydrophobicContact CD2-CE2 4.34Å; T354-F420 HydrophobicContact CG2-CD2 4.41Å; T354-F420 HydrophobicContact CG2-CE2 4.1Å; T356-F420 HydrophobicContact CG2-CE2 3.91Å; T356-F420 HydrophobicContact CG2-CZ 4.06Å; W417-F420 AromaticContact CE3-CD2 3.72Å; W417-F420 HydrophobicContact CE3-CD2 3.72Å; W417-F420 HydrophobicContact CE3-CE2 4.3Å; W417-F420 AromaticContact CZ3-CD2 3.71Å; W417-F420 HydrophobicContact CZ3-CD2 3.71Å; W417-F420 AromaticContact CZ3-CE2 4Å; W417-F420 HydrophobicContact CZ3-CE2 4Å; W417-F420 PolarHBondContact O-N 3.33Å; S418-F420 PolarHBondContact O-N 2.72Å
421S97.3Very high97Very high3 Ų338.2 Ų38.22%0.02121%0.207CC..SBendtrans-109.8175.3-178.8-173.60000112.2A189 W192 N411 S418 T423A189-S421 WeakPolarHBondContact O-CB 3.15Å; A189-S421 PolarHBondContact O-OG 2.86Å; A189-S421 VanDerWaalsContact O-OG 3.05Å; W192-S421 WeakPolarHBondContact CZ3-O 3.19Å; N411-S421 PolarHBondContact ND2-OG 3.22Å; N411-S421 WeakPolarHBondContact OD1-CB 3.36Å; N411-S421 PolarHBondContact OD1-OG 2.82Å; S418-S421 PolarHBondContact O-N 2.96Å; S418-S421 VanDerWaalsContact O-N 3.16Å; S421-T423 PolarHBondContact O-N 3.44Å
422I97.7Very high96.9Very high0 Ų039.5 Ų39.50%022%0.215CC..  trans-84.3106.4171-51.7-174.7000108.3V191 W192 V401 F409 N411 Y427 V428 V433V191-I422 HydrophobicContact CG2-CD1 3.94Å; V191-I422 HydrophobicContact CG2-CG1 3.65Å; W192-I422 HydrophobicContact CD2-CG1 4.13Å; W192-I422 HydrophobicContact CE3-CG1 4.27Å; W192-I422 HydrophobicContact CH2-CB 4.29Å; W192-I422 HydrophobicContact CH2-CG1 3.88Å; W192-I422 HydrophobicContact CH2-CG2 4.13Å; W192-I422 HydrophobicContact CZ2-CD1 3.99Å; W192-I422 HydrophobicContact CZ2-CG1 3.64Å; W192-I422 HydrophobicContact CZ3-CB 4.44Å; W192-I422 HydrophobicContact CZ3-CG1 4.18Å; V401-I422 HydrophobicContact CG2-CD1 3.81Å; F409-I422 HydrophobicContact CB-CB 4.36Å; F409-I422 HydrophobicContact CD1-CB 4.47Å; F409-I422 HydrophobicContact CD1-CD1 4.24Å; F409-I422 HydrophobicContact CD1-CG1 4.43Å; F409-I422 HydrophobicContact CD2-CB 4.49Å; F409-I422 HydrophobicContact CD2-CD1 4.17Å; F409-I422 HydrophobicContact CE1-CD1 3.95Å; F409-I422 HydrophobicContact CE2-CD1 3.88Å; F409-I422 HydrophobicContact CG-CB 4.2Å; F409-I422 HydrophobicContact CG-CD1 4.34Å; F409-I422 HydrophobicContact CZ-CD1 3.76Å; N411-I422 PolarHBondContact ND2-O 2.81Å; I422-Y427 HydrophobicContact CG2-CD2 4.42Å; I422-V428 HydrophobicContact CD1-CG1 3.75Å; I422-V428 HydrophobicContact CG2-CG1 4.17Å; I422-V428 HydrophobicContact CG2-CG2 3.88Å; I422-V433 HydrophobicContact CG2-CG2 3.91Å; I422-V433 VanDerWaalsContact O-CG1 3.29Å; I422-V433 WeakPolarHBondContact O-CG1 3.39Å
423T97Very high96.9Very high58 Ų5840.2 Ų40.236%0.35622%0.219SC..  trans-109.91.7-177.155.40000113.8S418 S421 N435S418-T423 WeakPolarHBondContact O-CG2 3.49Å; S421-T423 PolarHBondContact O-N 3.44Å; T423-N435 PolarHBondContact O-ND2 3.41Å
424N96.5Very high97Very high81 Ų8136.5 Ų36.543%0.43320%0.202SC..  trans-133.2128.5178.9-168.1-29.5000111.7S426 Y427N424-S426 VanDerWaalsContact CG-OG 3.3Å; N424-S426 PolarHBondContact O-N 3.48Å; N424-S426 VanDerWaalsContact O-N 3.16Å; N424-S426 WeakPolarHBondContact OD1-CB 3.36Å; N424-S426 PolarHBondContact OD1-N 3.05Å; N424-S426 PolarHBondContact OD1-OG 3.07Å; N424-S426 VanDerWaalsContact OD1-OG 3.1Å; N424-Y427 HydrophobicContact CB-CD2 3.73Å; N424-Y427 HydrophobicContact CB-CE2 3.7Å; N424-Y427 WeakPolarHBondContact O-CD2 3.31Å; N424-Y427 PolarHBondContact O-N 3.32Å
425N95.2Very high97.1Very high86 Ų8639.6 Ų39.646%0.4622%0.219SC..G310 helixtrans-58.9-24.2178.2-79.4-35.2000113.6Y427 V428 V433N425-Y427 PolarHBondContact O-N 3.26Å; N425-V428 CarbonylContact O-C 3.58Å; N425-V428 PolarHBondContact O-N 2.94Å; N425-V428 VanDerWaalsContact O-N 3.08Å; N425-V433 WeakPolarHBondContact OD1-CA 3.21Å; N425-V433 WeakPolarHBondContact OD1-CB 3.22Å; N425-V433 WeakPolarHBondContact OD1-CG2 3.37Å; N425-V433 PolarHBondContact OD1-N 3.16Å
426S96.2Very high97.1Very high81 Ų8139.6 Ų39.657%0.56622%0.219SC*.G310 helixtrans-60.7-25179.165.50000113.5N424N424-S426 VanDerWaalsContact CG-OG 3.3Å; N424-S426 PolarHBondContact O-N 3.48Å; N424-S426 VanDerWaalsContact O-N 3.16Å; N424-S426 WeakPolarHBondContact OD1-CB 3.36Å; N424-S426 PolarHBondContact OD1-N 3.05Å; N424-S426 PolarHBondContact OD1-OG 3.07Å; N424-S426 VanDerWaalsContact OD1-OG 3.1Å
427Y96Very high97.2Very high111 Ų11141.8 Ų41.844%0.43523%0.234SC..G310 helixtrans-80.1-20.9178-59.6-60.1000113.6W192 I422 N424 N425W192-Y427 HydrophobicContact CH2-CD1 4.14Å; W192-Y427 AromaticContact CH2-CD2 3.49Å; W192-Y427 HydrophobicContact CH2-CD2 3.49Å; W192-Y427 VanDerWaalsContact CH2-CD2 3.49Å; W192-Y427 AromaticContact CH2-CE2 3.95Å; W192-Y427 HydrophobicContact CH2-CE2 3.95Å; W192-Y427 AromaticContact CH2-CG 3.59Å; W192-Y427 HydrophobicContact CH2-CG 3.59Å; W192-Y427 HydrophobicContact CZ2-CG 4.36Å; W192-Y427 HydrophobicContact CZ3-CD2 4.04Å; W192-Y427 HydrophobicContact CZ3-CE2 4.13Å; I422-Y427 HydrophobicContact CG2-CD2 4.42Å; N424-Y427 HydrophobicContact CB-CD2 3.73Å; N424-Y427 HydrophobicContact CB-CE2 3.7Å; N424-Y427 WeakPolarHBondContact O-CD2 3.31Å; N424-Y427 PolarHBondContact O-N 3.32Å; N425-Y427 PolarHBondContact O-N 3.26Å
428V97Very high97.2Very high0 Ų044 Ų440%025%0.246CC..  trans-140.666.2-171.4-69.90000111.1V401 V404 F409 I422 N425 F430 A431 V433V401-V428 HydrophobicContact CB-CG1 4.26Å; V401-V428 HydrophobicContact CG2-CG1 3.71Å; V404-V428 HydrophobicContact CG2-CB 4.15Å; V404-V428 HydrophobicContact CG2-CG1 3.79Å; F409-V428 HydrophobicContact CD2-CG2 4.45Å; F409-V428 HydrophobicContact CE2-CG1 4.25Å; I422-V428 HydrophobicContact CD1-CG1 3.75Å; I422-V428 HydrophobicContact CG2-CG1 4.17Å; I422-V428 HydrophobicContact CG2-CG2 3.88Å; N425-V428 CarbonylContact O-C 3.58Å; N425-V428 PolarHBondContact O-N 2.94Å; N425-V428 VanDerWaalsContact O-N 3.08Å; V428-F430 PolarHBondContact O-N 2.84Å; V428-A431 HydrophobicContact CB-CB 3.68Å; V428-A431 HydrophobicContact CG2-CB 3.89Å; V428-A431 PolarHBondContact O-N 3.34Å; V428-V433 HydrophobicContact CG2-CG2 3.59Å
429P96.2Very high97.2Very high80 Ų8043.3 Ų43.352%0.51924%0.241SC..THydrogen-bonded Turntrans-61.8-16.7-170.225-35.7000115.2
430F95.8Very high97.3Very high137 Ų13742 Ų4260%0.60123%0.23SC*.THydrogen-bonded Turntrans-1108.6176.8-49.3-71.6000113.7Y402 V404 T405 V428Y402-F430 WeakPolarHBondContact O-CD2 3.37Å; V404-F430 CarbonylContact O-C 3.59Å; V404-F430 WeakPolarHBondContact O-CB 3.3Å; T405-F430 HydrophobicContact CG2-CB 3.93Å; V428-F430 PolarHBondContact O-N 2.84Å
431A97.5Very high97.3Very high13 Ų1341.9 Ų41.911%0.10723%0.23CC..SBendtrans-111.1-170.9171.400000109.6V404 I407 F409 V428V404-A431 HydrophobicContact CG2-CB 3.95Å; I407-A431 WeakPolarHBondContact O-CB 3.43Å; F409-A431 HydrophobicContact CD2-CB 4.45Å; F409-A431 HydrophobicContact CE2-CB 4.28Å; V428-A431 HydrophobicContact CB-CB 3.68Å; V428-A431 HydrophobicContact CG2-CB 3.89Å; V428-A431 PolarHBondContact O-N 3.34Å
432T98.2Very high97.3Very high28 Ų2842.7 Ų42.717%0.17223%0.233CC..EExtended strand (participates in β ladder)trans-133.1131174.9-62.70000109I407 I408 F409 I434I407-T432 PolarHBondContact O-N 2.59Å; I408-T432 CarbonylContact C-O 3.55Å; I408-T432 VanDerWaalsContact CA-O 3.26Å; I408-T432 WeakPolarHBondContact CA-O 3.29Å; I408-T432 HydrophobicContact CG1-CG2 4.35Å; F409-T432 PolarHBondContact N-O 3.41Å; T432-I434 HydrophobicContact CG2-CG1 4.11Å
433V98.6Very high97.4Very high15 Ų1542.7 Ų42.79%0.09123%0.233CC..EExtended strand (participates in β ladder)trans-106.6133.4172.3-177.90000108.7F409 I422 N425 V428F409-V433 HydrophobicContact CB-CG2 4.47Å; F409-V433 WeakPolarHBondContact O-CA 3.38Å; I422-V433 HydrophobicContact CG2-CG2 3.91Å; I422-V433 VanDerWaalsContact O-CG1 3.29Å; I422-V433 WeakPolarHBondContact O-CG1 3.39Å; N425-V433 WeakPolarHBondContact OD1-CA 3.21Å; N425-V433 WeakPolarHBondContact OD1-CB 3.22Å; N425-V433 WeakPolarHBondContact OD1-CG2 3.37Å; N425-V433 PolarHBondContact OD1-N 3.16Å; V428-V433 HydrophobicContact CG2-CG2 3.59Å
434I98.7Very high97.4Very high16 Ų1640 Ų408%0.08222%0.217CC..EExtended strand (participates in β ladder)trans-125.1118.9176.3-54.1177.3000107.7I408 F409 S410 N411 T432 M436 A459 I462 E463I408-I434 HydrophobicContact CD1-CD1 4.5Å; I408-I434 HydrophobicContact CG2-CD1 3.8Å; I408-I434 HydrophobicContact CG2-CG1 4.15Å; F409-I434 PolarHBondContact O-N 2.75Å; S410-I434 CarbonylContact C-O 3.51Å; S410-I434 VanDerWaalsContact CA-O 3.27Å; S410-I434 WeakPolarHBondContact CA-O 3.34Å; N411-I434 PolarHBondContact N-O 3.32Å; T432-I434 HydrophobicContact CG2-CG1 4.11Å; I434-M436 HydrophobicContact CG2-CG 4.12Å; I434-A459 HydrophobicContact CG2-CB 3.62Å; I434-I462 HydrophobicContact CD1-CB 4.02Å; I434-I462 HydrophobicContact CD1-CG2 3.71Å; I434-I462 HydrophobicContact CG1-CG2 4.5Å; I434-E463 HydrophobicContact CD1-CG 4.07Å
435N98.6Very high97.5Very high73 Ų7336.1 Ų36.139%0.3920%0.196SC..EExtended strand (participates in β ladder)trans-106.4124.4171.8-60.1-39.1000108.1N411 T423N411-N435 CarbonylContact O-C 3.45Å; N411-N435 WeakPolarHBondContact O-CA 3.38Å; T423-N435 PolarHBondContact O-ND2 3.41Å
436M98.6Very high97.7Very high1 Ų133 Ų331%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-105.8111.6-174.4-63.8175.5-73.200109.7N411 E413 I434 A439 D444 V456 A459N411-M436 PolarHBondContact O-N 2.96Å; E413-M436 PolarHBondContact N-O 3.36Å; I434-M436 HydrophobicContact CG2-CG 4.12Å; M436-A439 HydrophobicContact CB-CB 3.51Å; M436-A439 HydrophobicContact CE-CB 4.42Å; M436-A439 WeakPolarHBondContact O-CB 3.11Å; M436-A439 PolarHBondContact O-N 3.07Å; M436-D444 HydrophobicContact CE-CB 3.84Å; M436-D444 WeakPolarHBondContact CE-OD1 3.42Å; M436-D444 HydrophobicContact SD-CB 3.75Å; M436-V456 HydrophobicContact CB-CG2 4.29Å; M436-V456 HydrophobicContact SD-CB 4.34Å; M436-V456 HydrophobicContact SD-CG1 4.36Å; M436-V456 HydrophobicContact SD-CG2 4Å; M436-A459 HydrophobicContact CG-CB 3.67Å; M436-A459 HydrophobicContact SD-CB 3.52Å; M436-A459 VanDerWaalsContact SD-CB 3.52Å
437S97.9Very high97.7Very high45 Ų4532.2 Ų32.232%0.31517%0.17SC..THydrogen-bonded Turntrans-64.2141.4174.2-44.70000111.2E413 A439 S455E413-S437 VanDerWaalsContact CD-CA 3.41Å; E413-S437 VanDerWaalsContact CD-OG 3.27Å; E413-S437 PolarHBondContact OE1-OG 2.98Å; E413-S437 VanDerWaalsContact OE2-CA 3.31Å; E413-S437 WeakPolarHBondContact OE2-CA 3.5Å; E413-S437 WeakPolarHBondContact OE2-CB 3.49Å; E413-S437 PolarHBondContact OE2-OG 2.85Å; S437-A439 PolarHBondContact O-N 3.21Å; S437-A439 VanDerWaalsContact O-N 3.15Å; S437-S455 PolarHBondContact O-OG 2.85Å
438D97.1Very high97.7Very high51 Ų5129.2 Ų29.227%0.27316%0.164SC..THydrogen-bonded Turntrans5922-178.7-60.7-43.7000114.9K213 Y214 W288 P453K213-D438 WeakPolarHBondContact CE-OD1 3.41Å; K213-D438 IonicContact NZ-OD1 3.68Å; K213-D438 PolarHBondContact NZ-OD1 3.02Å; K213-D438 IonicContact NZ-OD2 2.9Å; Y214-D438 WeakPolarHBondContact OH-CB 3.42Å; Y214-D438 VanDerWaalsContact OH-CG 3.25Å; Y214-D438 PolarHBondContact OH-OD1 2.97Å; W288-D438 HydrophobicContact CH2-CB 4.26Å; W288-D438 WeakPolarHBondContact CH2-O 3.29Å; D438-P453 HydrophobicContact CB-CB 4.29Å; D438-P453 HydrophobicContact CB-CG 4.01Å; D438-P453 WeakPolarHBondContact O-CG 3.43Å
439A98.3Very high97.7Very high0 Ų032.3 Ų32.30%018%0.18CC..  trans-106.8132.2173.100000111.2G412 E413 I414 M436 S437 L443 V456G412-A439 CarbonylContact C-O 3.44Å; G412-A439 WeakPolarHBondContact CA-O 3.27Å; E413-A439 PolarHBondContact N-O 2.93Å; I414-A439 WeakPolarHBondContact CG1-O 3.17Å; I414-A439 PolarHBondContact N-O 3.18Å; M436-A439 HydrophobicContact CB-CB 3.51Å; M436-A439 HydrophobicContact CE-CB 4.42Å; M436-A439 WeakPolarHBondContact O-CB 3.11Å; M436-A439 PolarHBondContact O-N 3.07Å; S437-A439 PolarHBondContact O-N 3.21Å; S437-A439 VanDerWaalsContact O-N 3.15Å; A439-L443 HydrophobicContact CB-CB 4.08Å; A439-L443 HydrophobicContact CB-CD2 3.94Å; A439-V456 HydrophobicContact CB-CG2 3.71Å
440A97.6Very high97.8Very high0 Ų034.8 Ų34.80%020%0.199CC..  trans-89.1-161170.900000110.5M272 N274 Y275 I414 H442M272-A440 VanDerWaalsContact O-CB 3.28Å; M272-A440 WeakPolarHBondContact O-CB 3.27Å; N274-A440 HydrophobicContact CB-CB 4.26Å; Y275-A440 HydrophobicContact CD1-CB 3.91Å; Y275-A440 HydrophobicContact CE1-CB 3.94Å; I414-A440 HydrophobicContact CD1-CB 4.13Å; I414-A440 HydrophobicContact CG1-CB 4.18Å; A440-H442 PolarHBondContact O-N 3.12Å; A440-H442 VanDerWaalsContact O-N 3.17Å
441H97.5Very high97.9Very high1 Ų130.3 Ų30.31%0.00519%0.188CC..THydrogen-bonded Turntrans-59.1118-170-160.660.5000112.6S164 S188 M272 Y275 D415 W417 L443S164-H441 VanDerWaalsContact CB-NE2 3.27Å; S164-H441 WeakPolarHBondContact CB-NE2 3.47Å; S164-H441 PolarHBondContact OG-NE2 3.41Å; S188-H441 WeakPolarHBondContact CB-ND1 3.48Å; M272-H441 HydrophobicContact CG-CB 3.47Å; M272-H441 VanDerWaalsContact CG-CB 3.47Å; M272-H441 WeakPolarHBondContact O-CB 3.36Å; M272-H441 PolarHBondContact O-N 3.27Å; Y275-H441 VanDerWaalsContact CE1-O 3.29Å; Y275-H441 WeakPolarHBondContact CE1-O 3.5Å; Y275-H441 PolarHBondContact OH-O 3.39Å; D415-H441 IonicContact OD1-CG 3.06Å; D415-H441 IonicContact OD1-ND1 3.43Å; D415-H441 PolarHBondContact OD1-ND1 3.19Å; D415-H441 VanDerWaalsContact OD1-ND1 3.08Å; D415-H441 IonicContact OD2-CE1 2.82Å; D415-H441 IonicContact OD2-CG 3.59Å; D415-H441 IonicContact OD2-ND1 3.57Å; D415-H441 PolarHBondContact OD2-ND1 2.94Å; W417-H441 AromaticContact CD1-CE1 3.37Å; W417-H441 AromaticContact CD1-ND1 3.57Å; W417-H441 AromaticContact CG-CE1 3.84Å; H441-L443 VanDerWaalsContact C-N 3.27Å; H441-L443 PolarHBondContact O-N 2.97Å; H441-L443 VanDerWaalsContact O-N 3.12Å
442H98Very high97.9Very high20 Ų2030.5 Ų30.59%0.09319%0.187CC..THydrogen-bonded Turntrans41.743.9179.158.957.4000115.4S187 S188 A440 D444 L445S187-H442 VanDerWaalsContact OG-CA 3.28Å; S187-H442 WeakPolarHBondContact OG-CA 3.41Å; S187-H442 WeakPolarHBondContact OG-CB 3Å; S188-H442 PolarHBondContact OG-N 3.38Å; A440-H442 PolarHBondContact O-N 3.12Å; A440-H442 VanDerWaalsContact O-N 3.17Å; H442-D444 WeakPolarHBondContact CA-OD1 3.45Å; H442-D444 PolarHBondContact O-N 2.96Å; H442-L445 HydrophobicContact CB-CD1 4.22Å; H442-L445 HydrophobicContact CB-CG 4.38Å; H442-L445 PolarHBondContact O-N 3.35Å; H442-L445 VanDerWaalsContact O-N 3.14Å
443L98.4Very high97.9Very high0 Ų030.2 Ų30.20%019%0.186CC..G310 helixtrans-61.6-30.1-179.6-179.654000112.9Y275 P276 Y277 A439 H441 L445 R446 V456 R460Y275-L443 HydrophobicContact CD1-CB 4.39Å; Y275-L443 HydrophobicContact CD1-CD1 3.83Å; Y275-L443 HydrophobicContact CD1-CG 4.47Å; Y275-L443 HydrophobicContact CE1-CB 4.23Å; Y275-L443 HydrophobicContact CE1-CD1 4.25Å; P276-L443 HydrophobicContact CG-CD2 4.27Å; Y277-L443 HydrophobicContact CE1-CD1 4.11Å; Y277-L443 WeakPolarHBondContact OH-CD1 3.22Å; A439-L443 HydrophobicContact CB-CB 4.08Å; A439-L443 HydrophobicContact CB-CD2 3.94Å; H441-L443 VanDerWaalsContact C-N 3.27Å; H441-L443 PolarHBondContact O-N 2.97Å; H441-L443 VanDerWaalsContact O-N 3.12Å; L443-L445 VanDerWaalsContact C-N 3.27Å; L443-L445 PolarHBondContact O-N 3.43Å; L443-R446 HydrophobicContact CD1-CB 4.34Å; L443-R446 HydrophobicContact CD1-CG 4.27Å; L443-R446 WeakPolarHBondContact O-CB 3.39Å; L443-R446 PolarHBondContact O-N 3.08Å; L443-R446 VanDerWaalsContact O-N 3.15Å; L443-V456 HydrophobicContact CD2-CG2 3.79Å; L443-V456 HydrophobicContact CG-CG1 4.16Å; L443-V456 HydrophobicContact CG-CG2 4.03Å; L443-R460 PolarHBondContact O-NH2 2.66Å
444D98.7Very high97.9Very high0 Ų035.2 Ų35.20%021%0.208CC..G310 helixtrans-54.3-36.8171.250.2-47000113.3F90 S187 S410 M436 H442 R446 R460F90-D444 WeakPolarHBondContact CB-O 3.24Å; S187-D444 WeakPolarHBondContact CB-OD2 3.49Å; S187-D444 PolarHBondContact OG-OD1 3.16Å; S187-D444 PolarHBondContact OG-OD2 3.19Å; S410-D444 WeakPolarHBondContact CB-OD2 3.44Å; S410-D444 PolarHBondContact OG-OD2 3.19Å; M436-D444 HydrophobicContact CE-CB 3.84Å; M436-D444 WeakPolarHBondContact CE-OD1 3.42Å; M436-D444 HydrophobicContact SD-CB 3.75Å; H442-D444 WeakPolarHBondContact CA-OD1 3.45Å; H442-D444 PolarHBondContact O-N 2.96Å; D444-R446 VanDerWaalsContact C-N 3.34Å; D444-R446 PolarHBondContact O-N 3.31Å; D444-R460 HydrophobicContact CB-CG 4.42Å; D444-R460 PolarHBondContact O-NE 2.96Å
445L98.6Very high97.9Very high1 Ų135.7 Ų35.71%0.00521%0.213CC..G310 helixtrans-75-22.6179.1-65-174.7000113.8Y74 S88 G89 F90 F161 I185 H442 L443Y74-L445 HydrophobicContact CE2-CD1 4.36Å; S88-L445 CarbonylContact C-O 3.06Å; S88-L445 WeakPolarHBondContact CA-O 3.16Å; G89-L445 PolarHBondContact N-O 3.42Å; G89-L445 VanDerWaalsContact N-O 3.16Å; F90-L445 WeakPolarHBondContact CB-O 3.11Å; F90-L445 PolarHBondContact N-O 3.03Å; F161-L445 HydrophobicContact CD1-CD2 4.2Å; I185-L445 HydrophobicContact CG2-CD2 4.43Å; H442-L445 HydrophobicContact CB-CD1 4.22Å; H442-L445 HydrophobicContact CB-CG 4.38Å; H442-L445 PolarHBondContact O-N 3.35Å; H442-L445 VanDerWaalsContact O-N 3.14Å; L443-L445 VanDerWaalsContact C-N 3.27Å; L443-L445 PolarHBondContact O-N 3.43Å
446R97.4Very high97.9Very high21 Ų2132.2 Ų32.28%0.07919%0.194CC..SBendtrans-64.8161.9-176.7-59.4-167.664.9788.4111.9N87 F90 Y277 L443 D444 P448 R460N87-R446 WeakPolarHBondContact O-CA 3.49Å; N87-R446 PolarHBondContact OD1-NH1 2.86Å; N87-R446 PolarHBondContact OD1-NH2 3.38Å; N87-R446 VanDerWaalsContact OD1-NH2 3.16Å; F90-R446 PolarHBondContact N-O 3.25Å; Y277-R446 VanDerWaalsContact OH-CB 3.26Å; Y277-R446 WeakPolarHBondContact OH-CB 3.46Å; Y277-R446 VanDerWaalsContact OH-CD 3.31Å; Y277-R446 WeakPolarHBondContact OH-CD 3.43Å; Y277-R446 PolarHBondContact OH-NE 3.48Å; L443-R446 HydrophobicContact CD1-CB 4.34Å; L443-R446 HydrophobicContact CD1-CG 4.27Å; L443-R446 WeakPolarHBondContact O-CB 3.39Å; L443-R446 PolarHBondContact O-N 3.08Å; L443-R446 VanDerWaalsContact O-N 3.15Å; D444-R446 VanDerWaalsContact C-N 3.34Å; D444-R446 PolarHBondContact O-N 3.31Å; R446-P448 WeakPolarHBondContact O-CD 3.48Å; R446-R460 PolarHBondContact O-NH2 3.32Å
447T96.5Very high97.9Very high64 Ų6435.3 Ų35.339%0.39321%0.213SC..PPolyproline II helixtrans-55.5128.1172-50.80000109.6G89 N449G89-T447 WeakPolarHBondContact CA-OG1 3.36Å; T447-N449 PolarHBondContact O-N 3.42Å
448P97Very high98Very high47 Ų4738.2 Ų38.231%0.30522%0.222SC..PPolyproline II helixtrans-53.7133.6174.7-28.737000111.8F90 K93 R446 D452F90-P448 HydrophobicContact CD2-CG 4.46Å; K93-P448 HydrophobicContact CD-CG 3.78Å; R446-P448 WeakPolarHBondContact O-CD 3.48Å; P448-D452 WeakPolarHBondContact CA-OD2 3.44Å
449N97.4Very high98.1Very high65 Ų6535.8 Ų35.835%0.34821%0.209SC..  trans-132.5148.6-173.4-167.6-69.2000109.8Y277 T447 A451 D452Y277-N449 HydrophobicContact CD1-CB 3.66Å; Y277-N449 VanDerWaalsContact CD1-CG 3.46Å; Y277-N449 HydrophobicContact CE1-CB 3.52Å; Y277-N449 HydrophobicContact CG-CB 4.45Å; T447-N449 PolarHBondContact O-N 3.42Å; N449-A451 PolarHBondContact O-N 3.23Å; N449-A451 WeakPolarHBondContact OD1-CB 3.47Å; N449-A451 PolarHBondContact OD1-N 3.43Å; N449-D452 PolarHBondContact N-OD2 2.85Å; N449-D452 WeakPolarHBondContact O-CB 3.33Å; N449-D452 PolarHBondContact O-N 3.11Å; N449-D452 VanDerWaalsContact O-N 3.11Å; N449-D452 VanDerWaalsContact O-OD2 3.12Å
450S97.5Very high98.1Very high132 Ų13236.4 Ų36.492%0.92321%0.211SC*.THydrogen-bonded Turntrans-63-19.8176.8520000113.9
451A98Very high98.1Very high43 Ų4340.6 Ų40.636%0.35523%0.231SC..THydrogen-bonded Turntrans-91.72.6177.300000113.8P276 Y277 N449P276-A451 HydrophobicContact CB-CB 4.45Å; P276-A451 WeakPolarHBondContact CB-O 3.42Å; P276-A451 WeakPolarHBondContact CG-O 3.44Å; Y277-A451 HydrophobicContact CD1-CB 4.24Å; N449-A451 PolarHBondContact O-N 3.23Å; N449-A451 WeakPolarHBondContact OD1-CB 3.47Å; N449-A451 PolarHBondContact OD1-N 3.43Å
452D98.4Very high98.2Very high18 Ų1844.2 Ų44.210%0.09625%0.249CC..  trans-61.4136.5177.4-74.7-41.2000111.6Y277 P448 N449 V457 R460Y277-D452 WeakPolarHBondContact CE1-OD1 3.34Å; P448-D452 WeakPolarHBondContact CA-OD2 3.44Å; N449-D452 PolarHBondContact N-OD2 2.85Å; N449-D452 WeakPolarHBondContact O-CB 3.33Å; N449-D452 PolarHBondContact O-N 3.11Å; N449-D452 VanDerWaalsContact O-N 3.11Å; N449-D452 VanDerWaalsContact O-OD2 3.12Å; D452-V457 HydrophobicContact CB-CG2 4.13Å; D452-R460 IonicContact OD1-NH1 2.59Å; D452-R460 IonicContact OD1-NH2 3.35Å; D452-R460 IonicContact OD2-CZ 2.78Å; D452-R460 IonicContact OD2-NH1 3.7Å; D452-R460 PolarHBondContact OD2-NH1 2.03Å; D452-R460 IonicContact OD2-NH2 3.78Å; D452-R460 PolarHBondContact OD2-NH2 3.3Å
453P98.3Very high98.2Very high22 Ų2243.2 Ų43.214%0.14325%0.245CC..  trans-57.6145.9168.3-21.830.3000110.8D438 S455 V456 V457D438-P453 HydrophobicContact CB-CB 4.29Å; D438-P453 HydrophobicContact CB-CG 4.01Å; D438-P453 WeakPolarHBondContact O-CG 3.43Å; P453-S455 PolarHBondContact O-N 2.78Å; P453-S455 VanDerWaalsContact O-N 3.16Å; P453-V456 HydrophobicContact CB-CG2 4.29Å; P453-V456 HydrophobicContact CG-CG2 4.24Å; P453-V456 WeakPolarHBondContact O-CB 3.46Å; P453-V456 PolarHBondContact O-N 2.95Å; P453-V457 PolarHBondContact O-N 3.42Å
454Q98.5Very high98.2Very high119 Ų11945.3 Ų45.356%0.55625%0.254SS*.Hα-helixtrans-56.3-34.9179.7-178.958.328.100112.5V456 V457 E458Q454-V456 VanDerWaalsContact C-N 3.3Å; Q454-V456 PolarHBondContact O-N 3.37Å; Q454-V457 PolarHBondContact O-N 2.84Å; Q454-E458 WeakPolarHBondContact CG-OE1 3.41Å; Q454-E458 PolarHBondContact NE2-OE1 2.94Å; Q454-E458 WeakPolarHBondContact O-CG 3.29Å; Q454-E458 PolarHBondContact O-N 3.3Å
455S98.6Very high98.2Very high26 Ų2649.9 Ų49.918%0.18228%0.275CS..Hα-helixtrans-57.5-37.5174.657.40000113.3S437 P453 A459S437-S455 PolarHBondContact O-OG 2.85Å; P453-S455 PolarHBondContact O-N 2.78Å; P453-S455 VanDerWaalsContact O-N 3.16Å; S455-A459 VanDerWaalsContact O-CB 3.3Å; S455-A459 WeakPolarHBondContact O-CB 3.47Å; S455-A459 PolarHBondContact O-N 3.49Å
456V98.8Very high98.2Very high0 Ų052.7 Ų52.70%029%0.287CS..Hα-helixtrans-74.3-39.4177.7179.80000110.6M436 A439 L443 P453 Q454 E458 A459 R460M436-V456 HydrophobicContact CB-CG2 4.29Å; M436-V456 HydrophobicContact SD-CB 4.34Å; M436-V456 HydrophobicContact SD-CG1 4.36Å; M436-V456 HydrophobicContact SD-CG2 4Å; A439-V456 HydrophobicContact CB-CG2 3.71Å; L443-V456 HydrophobicContact CD2-CG2 3.79Å; L443-V456 HydrophobicContact CG-CG1 4.16Å; L443-V456 HydrophobicContact CG-CG2 4.03Å; P453-V456 HydrophobicContact CB-CG2 4.29Å; P453-V456 HydrophobicContact CG-CG2 4.24Å; P453-V456 WeakPolarHBondContact O-CB 3.46Å; P453-V456 PolarHBondContact O-N 2.95Å; Q454-V456 VanDerWaalsContact C-N 3.3Å; Q454-V456 PolarHBondContact O-N 3.37Å; V456-E458 VanDerWaalsContact C-N 3.32Å; V456-E458 PolarHBondContact O-N 3.26Å; V456-A459 PolarHBondContact O-N 2.93Å; V456-R460 WeakPolarHBondContact O-CG 3.04Å; V456-R460 PolarHBondContact O-N 3.49Å
457V98.7Very high98.3Very high67 Ų6751.7 Ų51.741%0.40628%0.284SS..Hα-helixtrans-60.8-44.8175.4178.90000110.3D452 P453 Q454 E461D452-V457 HydrophobicContact CB-CG2 4.13Å; P453-V457 PolarHBondContact O-N 3.42Å; Q454-V457 PolarHBondContact O-N 2.84Å; V457-E461 PolarHBondContact O-N 3.02Å
458E98.6Very high98.4Very high105 Ų10550.4 Ų50.449%0.49127%0.274SS..Hα-helixtrans-65.9-42.6176.1-72.1170.6-167.600112.4Q454 V456 R460 E461 I462Q454-E458 WeakPolarHBondContact CG-OE1 3.41Å; Q454-E458 PolarHBondContact NE2-OE1 2.94Å; Q454-E458 WeakPolarHBondContact O-CG 3.29Å; Q454-E458 PolarHBondContact O-N 3.3Å; V456-E458 VanDerWaalsContact C-N 3.32Å; V456-E458 PolarHBondContact O-N 3.26Å; E458-R460 PolarHBondContact O-N 3.11Å; E458-E461 PolarHBondContact O-N 3.38Å; E458-I462 WeakPolarHBondContact O-CG1 3.39Å; E458-I462 PolarHBondContact O-N 3.1Å
459A98.8Very high98.4Very high1 Ų152.1 Ų52.11%0.00828%0.278CS..Hα-helixtrans-56.3-49.4176.300000112I434 M436 S455 V456 E461 I462 E463I434-A459 HydrophobicContact CG2-CB 3.62Å; M436-A459 HydrophobicContact CG-CB 3.67Å; M436-A459 HydrophobicContact SD-CB 3.52Å; M436-A459 VanDerWaalsContact SD-CB 3.52Å; S455-A459 VanDerWaalsContact O-CB 3.3Å; S455-A459 WeakPolarHBondContact O-CB 3.47Å; S455-A459 PolarHBondContact O-N 3.49Å; V456-A459 PolarHBondContact O-N 2.93Å; A459-E461 VanDerWaalsContact C-N 3.28Å; A459-E461 PolarHBondContact O-N 3.08Å; A459-I462 PolarHBondContact O-N 2.93Å; A459-I462 VanDerWaalsContact O-N 3.14Å; A459-E463 WeakPolarHBondContact O-CG 3.07Å; A459-E463 PolarHBondContact O-N 3.49Å
460R98.8Very high98.4Very high12 Ų1249.4 Ų49.45%0.04526%0.263CS..Hα-helixtrans-61.5-35.5178.4-73.1-179.3-172.3137.1-2.5112.8F90 L443 D444 R446 D452 V456 E458 K464F90-R460 HydrophobicContact CD1-CG 4.23Å; F90-R460 HydrophobicContact CD2-CB 4.38Å; F90-R460 HydrophobicContact CD2-CG 4.11Å; F90-R460 HydrophobicContact CE1-CB 4.21Å; F90-R460 HydrophobicContact CE1-CG 4.05Å; F90-R460 HydrophobicContact CE2-CB 3.74Å; F90-R460 HydrophobicContact CE2-CG 3.95Å; F90-R460 HydrophobicContact CG-CG 4.27Å; F90-R460 HydrophobicContact CZ-CB 3.64Å; F90-R460 HydrophobicContact CZ-CG 3.91Å; F90-R460 WeakPolarHBondContact CZ-O 3.5Å; L443-R460 PolarHBondContact O-NH2 2.66Å; D444-R460 HydrophobicContact CB-CG 4.42Å; D444-R460 PolarHBondContact O-NE 2.96Å; R446-R460 PolarHBondContact O-NH2 3.32Å; D452-R460 IonicContact OD1-NH1 2.59Å; D452-R460 IonicContact OD1-NH2 3.35Å; D452-R460 IonicContact OD2-CZ 2.78Å; D452-R460 IonicContact OD2-NH1 3.7Å; D452-R460 PolarHBondContact OD2-NH1 2.03Å; D452-R460 IonicContact OD2-NH2 3.78Å; D452-R460 PolarHBondContact OD2-NH2 3.3Å; V456-R460 WeakPolarHBondContact O-CG 3.04Å; V456-R460 PolarHBondContact O-N 3.49Å; E458-R460 PolarHBondContact O-N 3.11Å; R460-K464 WeakPolarHBondContact O-CB 3.4Å; R460-K464 PolarHBondContact O-N 3.28Å
461E98.7Very high98.4Very high89 Ų8944.1 Ų44.142%0.41622%0.224SC..Hα-helixtrans-68.2-43.5175.1-175.155.9-151.800111.2V457 E458 A459 E463 K464 Q465V457-E461 PolarHBondContact O-N 3.02Å; E458-E461 PolarHBondContact O-N 3.38Å; A459-E461 VanDerWaalsContact C-N 3.28Å; A459-E461 PolarHBondContact O-N 3.08Å; E461-E463 PolarHBondContact O-N 2.93Å; E461-K464 PolarHBondContact O-N 3.28Å; E461-Q465 VanDerWaalsContact O-CG 3.32Å; E461-Q465 WeakPolarHBondContact O-CG 3.16Å; E461-Q465 PolarHBondContact O-N 3.5Å; E461-Q465 PolarHBondContact OE1-NE2 3.31Å
462I98.6Very high98.3Very high76 Ų7648.9 Ų48.939%0.3924%0.237SC..Hα-helixtrans-59.6-46.5174.6-65.9167.2000110.8I434 E458 A459 Q465 K466I434-I462 HydrophobicContact CD1-CB 4.02Å; I434-I462 HydrophobicContact CD1-CG2 3.71Å; I434-I462 HydrophobicContact CG1-CG2 4.5Å; E458-I462 WeakPolarHBondContact O-CG1 3.39Å; E458-I462 PolarHBondContact O-N 3.1Å; A459-I462 PolarHBondContact O-N 2.93Å; A459-I462 VanDerWaalsContact O-N 3.14Å; I462-Q465 PolarHBondContact O-N 3.31Å; I462-K466 HydrophobicContact CG2-CG 4.44Å; I462-K466 WeakPolarHBondContact O-CG 3.38Å; I462-K466 PolarHBondContact O-N 3.34Å
463E98.8Very high98.1Very high0 Ų051.8 Ų51.80%025%0.249CC..Hα-helixtrans-56.5-51.2176.7-74166.5-179.200111.5F90 I185 I408 I434 A459 E461 Q465 K466 I467F90-E463 HydrophobicContact CE1-CB 4.25Å; F90-E463 VanDerWaalsContact CE1-OE2 3.22Å; F90-E463 WeakPolarHBondContact CE1-OE2 3.28Å; I185-E463 HydrophobicContact CD1-CB 4.34Å; I185-E463 HydrophobicContact CD1-CG 4.28Å; I408-E463 HydrophobicContact CD1-CB 4.19Å; I408-E463 HydrophobicContact CD1-CG 3.8Å; I408-E463 HydrophobicContact CG2-CG 4.24Å; I434-E463 HydrophobicContact CD1-CG 4.07Å; A459-E463 WeakPolarHBondContact O-CG 3.07Å; A459-E463 PolarHBondContact O-N 3.49Å; E461-E463 PolarHBondContact O-N 2.93Å; E463-Q465 VanDerWaalsContact C-N 3.34Å; E463-Q465 PolarHBondContact O-N 2.8Å; E463-K466 PolarHBondContact O-N 3.49Å; E463-I467 WeakPolarHBondContact O-CB 3.33Å; E463-I467 WeakPolarHBondContact O-CD1 3.39Å; E463-I467 WeakPolarHBondContact O-CG1 3.46Å; E463-I467 PolarHBondContact O-N 3.42Å
464K98.7Very high97.9Very high44 Ų4452.8 Ų52.819%0.19125%0.25CS..Hα-helixtrans-56.2-46.8176.3177.1-179.9167.6-179.70111.8L94 E97 R460 E461 K466 I467 I468L94-K464 HydrophobicContact CD2-CB 3.99Å; L94-K464 HydrophobicContact CD2-CD 4.21Å; L94-K464 HydrophobicContact CD2-CG 3.91Å; E97-K464 WeakPolarHBondContact OE2-CD 3.09Å; E97-K464 WeakPolarHBondContact OE2-CE 3.31Å; E97-K464 IonicContact OE2-NZ 3.69Å; E97-K464 PolarHBondContact OE2-NZ 2.78Å; R460-K464 WeakPolarHBondContact O-CB 3.4Å; R460-K464 PolarHBondContact O-N 3.28Å; E461-K464 PolarHBondContact O-N 3.28Å; K464-K466 PolarHBondContact O-N 2.62Å; K464-I467 PolarHBondContact O-N 2.95Å; K464-I468 HydrophobicContact CG-CD1 3.96Å; K464-I468 VanDerWaalsContact O-CG1 3.31Å; K464-I468 WeakPolarHBondContact O-CG1 3.36Å; K464-I468 PolarHBondContact O-N 2.86Å
465Q98.6Very high97.5Very high95 Ų9549.1 Ų49.144%0.44424%0.235SC..Hα-helixtrans-64.1-40.1-179.7-68.3-55.1-34.700112.3E461 I462 E463 I468 Q469E461-Q465 VanDerWaalsContact O-CG 3.32Å; E461-Q465 WeakPolarHBondContact O-CG 3.16Å; E461-Q465 PolarHBondContact O-N 3.5Å; E461-Q465 PolarHBondContact OE1-NE2 3.31Å; I462-Q465 PolarHBondContact O-N 3.31Å; E463-Q465 VanDerWaalsContact C-N 3.34Å; E463-Q465 PolarHBondContact O-N 2.8Å; Q465-I468 PolarHBondContact O-N 3.16Å; Q465-Q469 PolarHBondContact O-N 2.75Å
466K98.5Very high97.2Very high61 Ų6152.9 Ų52.927%0.26525%0.252SS..Hα-helixtrans-65.8-41.2174.9-71.9-68.2-172.5-1790112.1I408 I462 E463 K464 I468 Q469 W470I408-K466 HydrophobicContact CD1-CB 3.74Å; I408-K466 HydrophobicContact CD1-CG 3.91Å; I462-K466 HydrophobicContact CG2-CG 4.44Å; I462-K466 WeakPolarHBondContact O-CG 3.38Å; I462-K466 PolarHBondContact O-N 3.34Å; E463-K466 PolarHBondContact O-N 3.49Å; K464-K466 PolarHBondContact O-N 2.62Å; K466-I468 PolarHBondContact O-N 2.86Å; K466-Q469 WeakPolarHBondContact O-CB 3.34Å; K466-Q469 PolarHBondContact O-N 2.99Å; K466-W470 HydrophobicContact CB-CH2 4.24Å; K466-W470 HydrophobicContact CB-CZ2 3.95Å; K466-W470 VanDerWaalsContact O-CD2 3.26Å; K466-W470 PolarHBondContact O-N 3.31Å
467I98.6Very high96.6Very high0 Ų059.3 Ų59.30%028%0.28CS..Hα-helixtrans-59-48174.1-69.5162.6000110.6L94 L98 I159 F161 I185 E463 K464 Q469 W470 I471L94-I467 HydrophobicContact CD1-CD1 3.78Å; L98-I467 HydrophobicContact CD1-CG2 3.64Å; I159-I467 HydrophobicContact CD1-CG2 4.49Å; I159-I467 HydrophobicContact CG1-CG2 4.11Å; I159-I467 HydrophobicContact CG2-CD1 4.49Å; I159-I467 HydrophobicContact CG2-CG1 4.07Å; F161-I467 HydrophobicContact CE1-CD1 4.01Å; F161-I467 HydrophobicContact CZ-CD1 3.61Å; I185-I467 HydrophobicContact CD1-CD1 4.08Å; I185-I467 HydrophobicContact CD1-CG1 4.11Å; I185-I467 HydrophobicContact CG1-CD1 4.07Å; I185-I467 HydrophobicContact CG1-CG1 4.46Å; E463-I467 WeakPolarHBondContact O-CB 3.33Å; E463-I467 WeakPolarHBondContact O-CD1 3.39Å; E463-I467 WeakPolarHBondContact O-CG1 3.46Å; E463-I467 PolarHBondContact O-N 3.42Å; K464-I467 PolarHBondContact O-N 2.95Å; I467-Q469 VanDerWaalsContact C-N 3.28Å; I467-Q469 PolarHBondContact O-N 3.41Å; I467-W470 HydrophobicContact CG1-CE3 4.26Å; I467-W470 HydrophobicContact CG1-CZ3 4.2Å; I467-W470 PolarHBondContact O-N 3.32Å; I467-I471 HydrophobicContact CG2-CD1 3.66Å; I467-I471 HydrophobicContact CG2-CG1 4.4Å; I467-I471 WeakPolarHBondContact O-CD1 3.27Å; I467-I471 WeakPolarHBondContact O-CG1 3.45Å; I467-I471 PolarHBondContact O-N 3.04Å
468I98.2Very high95.8Very high37 Ų3759.8 Ų59.819%0.1928%0.275CS..Hα-helixtrans-58.7-41.8176.3-69.3166.2000110.9L98 K464 Q465 K466 K472L98-I468 HydrophobicContact CD2-CD1 4.06Å; L98-I468 HydrophobicContact CD2-CG1 3.62Å; K464-I468 HydrophobicContact CG-CD1 3.96Å; K464-I468 VanDerWaalsContact O-CG1 3.31Å; K464-I468 WeakPolarHBondContact O-CG1 3.36Å; K464-I468 PolarHBondContact O-N 2.86Å; Q465-I468 PolarHBondContact O-N 3.16Å; K466-I468 PolarHBondContact O-N 2.86Å; I468-K472 HydrophobicContact CG2-CD 4.32Å; I468-K472 WeakPolarHBondContact O-CG 3.46Å; I468-K472 PolarHBondContact O-N 2.96Å; I468-K472 VanDerWaalsContact O-N 3.14Å
469Q97.9Very high95.1Very high83 Ų8361.5 Ų61.539%0.38828%0.281SS..Hα-helixtrans-60-51.6175.6179.4-174.2-14.500111.3Q465 K466 I467 I471 K472 E473Q465-Q469 PolarHBondContact O-N 2.75Å; K466-Q469 WeakPolarHBondContact O-CB 3.34Å; K466-Q469 PolarHBondContact O-N 2.99Å; I467-Q469 VanDerWaalsContact C-N 3.28Å; I467-Q469 PolarHBondContact O-N 3.41Å; Q469-I471 VanDerWaalsContact C-N 3.32Å; Q469-I471 PolarHBondContact O-N 2.9Å; Q469-K472 WeakPolarHBondContact O-CB 3.38Å; Q469-K472 PolarHBondContact O-N 3.05Å; Q469-K472 VanDerWaalsContact O-N 3.12Å; Q469-E473 HydrophobicContact CG-CG 4.49Å; Q469-E473 WeakPolarHBondContact CG-OE1 3.37Å; Q469-E473 PolarHBondContact NE2-OE1 3.01Å; Q469-E473 WeakPolarHBondContact O-CG 3.22Å; Q469-E473 PolarHBondContact O-N 3.43Å
470W97.7Very high94.5Very high8 Ų865.3 Ų65.33%0.0330%0.301CS..Hα-helixtrans-63.2-37-178.6-58.2-29.5000112.8I159 I185 N406 I408 K466 I467 K472 E473 W474I159-W470 HydrophobicContact CD1-CB 4.34Å; I159-W470 HydrophobicContact CD1-CE3 4.27Å; I185-W470 HydrophobicContact CD1-CH2 4.1Å; I185-W470 HydrophobicContact CD1-CZ3 3.89Å; N406-W470 VanDerWaalsContact C-CZ2 3.42Å; N406-W470 HydrophobicContact CB-CD2 4.05Å; N406-W470 HydrophobicContact CB-CG 4.14Å; N406-W470 HydrophobicContact CB-CZ2 4.14Å; N406-W470 PolarHBondContact OD1-NE1 2.87Å; I408-W470 HydrophobicContact CD1-CH2 4.03Å; I408-W470 HydrophobicContact CG1-CH2 3.88Å; I408-W470 HydrophobicContact CG1-CZ2 4.29Å; K466-W470 HydrophobicContact CB-CH2 4.24Å; K466-W470 HydrophobicContact CB-CZ2 3.95Å; K466-W470 VanDerWaalsContact O-CD2 3.26Å; K466-W470 PolarHBondContact O-N 3.31Å; I467-W470 HydrophobicContact CG1-CE3 4.26Å; I467-W470 HydrophobicContact CG1-CZ3 4.2Å; I467-W470 PolarHBondContact O-N 3.32Å; W470-K472 VanDerWaalsContact C-N 3.35Å; W470-E473 PolarHBondContact O-N 3.23Å; W470-W474 VanDerWaalsContact O-CB 3.31Å; W470-W474 WeakPolarHBondContact O-CB 3.44Å; W470-W474 PolarHBondContact O-N 3.33Å
471I96.7Very high93.7Very high20 Ų2068.9 Ų68.910%0.10332%0.321CS..Hα-helixtrans-60.3-45.4173.7-69.8164.2000110.6P70 L98 P157 I159 I467 Q469 N475P70-I471 HydrophobicContact CB-CD1 3.88Å; P70-I471 HydrophobicContact CB-CG1 4.08Å; P70-I471 HydrophobicContact CG-CD1 3.61Å; P70-I471 HydrophobicContact CG-CG1 4.35Å; L98-I471 HydrophobicContact CD1-CD1 4.34Å; P157-I471 HydrophobicContact CB-CG1 4.48Å; P157-I471 HydrophobicContact CG-CB 4.25Å; P157-I471 HydrophobicContact CG-CG1 4.02Å; P157-I471 HydrophobicContact CG-CG2 3.95Å; I159-I471 HydrophobicContact CD1-CG1 4.34Å; I467-I471 HydrophobicContact CG2-CD1 3.66Å; I467-I471 HydrophobicContact CG2-CG1 4.4Å; I467-I471 WeakPolarHBondContact O-CD1 3.27Å; I467-I471 WeakPolarHBondContact O-CG1 3.45Å; I467-I471 PolarHBondContact O-N 3.04Å; Q469-I471 VanDerWaalsContact C-N 3.32Å; Q469-I471 PolarHBondContact O-N 2.9Å; I471-N475 WeakPolarHBondContact O-CB 3.21Å; I471-N475 VanDerWaalsContact O-CG 3.31Å; I471-N475 PolarHBondContact O-N 3.33Å; I471-N475 PolarHBondContact O-ND2 2.99Å
472K95.5Very high92.8Very high144 Ų14470.5 Ų70.563%0.62633%0.326SS*.Hα-helixtrans-63.7-46.6177.8-72.5172.9-179.1175.50111.5I468 Q469 W470 W474 N475 L476I468-K472 HydrophobicContact CG2-CD 4.32Å; I468-K472 WeakPolarHBondContact O-CG 3.46Å; I468-K472 PolarHBondContact O-N 2.96Å; I468-K472 VanDerWaalsContact O-N 3.14Å; Q469-K472 WeakPolarHBondContact O-CB 3.38Å; Q469-K472 PolarHBondContact O-N 3.05Å; Q469-K472 VanDerWaalsContact O-N 3.12Å; W470-K472 VanDerWaalsContact C-N 3.35Å; K472-W474 PolarHBondContact O-N 2.96Å; K472-N475 PolarHBondContact O-N 3.31Å; K472-L476 WeakPolarHBondContact O-CB 3.39Å; K472-L476 PolarHBondContact O-N 3.24Å
473E94.3Very high91.9Very high78 Ų7871.7 Ų71.736%0.36433%0.332SS..Hα-helixtrans-59.5-45.6177.9-72.3171.5-177.800111.8Q469 W470 L476 K477Q469-E473 HydrophobicContact CG-CG 4.49Å; Q469-E473 WeakPolarHBondContact CG-OE1 3.37Å; Q469-E473 PolarHBondContact NE2-OE1 3.01Å; Q469-E473 WeakPolarHBondContact O-CG 3.22Å; Q469-E473 PolarHBondContact O-N 3.43Å; W470-E473 PolarHBondContact O-N 3.23Å; E473-L476 PolarHBondContact O-N 3.14Å; E473-K477 WeakPolarHBondContact O-CB 3.3Å; E473-K477 PolarHBondContact O-N 3.46Å
474W93.9Very high91Very high43 Ų4377.8 Ų77.816%0.16336%0.359CS..Hα-helixtrans-60.6-49.9177.6-176.6-88.9000112.1P157 N179 A182 W470 K472 L476 K477 Y478P157-W474 HydrophobicContact CB-CB 3.92Å; P157-W474 HydrophobicContact CB-CD2 4.26Å; P157-W474 HydrophobicContact CB-CG 3.65Å; P157-W474 HydrophobicContact CG-CG 4.48Å; N179-W474 VanDerWaalsContact O-CH2 3.28Å; N179-W474 WeakPolarHBondContact O-CH2 3.28Å; A182-W474 HydrophobicContact CB-CB 4.14Å; A182-W474 HydrophobicContact CB-CD2 3.88Å; A182-W474 HydrophobicContact CB-CE3 3.48Å; A182-W474 VanDerWaalsContact CB-CE3 3.48Å; A182-W474 HydrophobicContact CB-CG 4.19Å; A182-W474 HydrophobicContact CB-CZ3 4.08Å; W470-W474 VanDerWaalsContact O-CB 3.31Å; W470-W474 WeakPolarHBondContact O-CB 3.44Å; W470-W474 PolarHBondContact O-N 3.33Å; K472-W474 PolarHBondContact O-N 2.96Å; W474-L476 VanDerWaalsContact C-N 3.29Å; W474-L476 PolarHBondContact O-N 3.15Å; W474-K477 PolarHBondContact O-N 3.08Å; W474-Y478 WeakPolarHBondContact O-CB 3.08Å; W474-Y478 PolarHBondContact O-N 3.46Å
475N91.5Very high90Very high42 Ų4280.5 Ų80.523%0.22538%0.376CS..Hα-helixtrans-63-36.8180-76.3-28.1000111.9I471 K472 K479I471-N475 WeakPolarHBondContact O-CB 3.21Å; I471-N475 VanDerWaalsContact O-CG 3.31Å; I471-N475 PolarHBondContact O-N 3.33Å; I471-N475 PolarHBondContact O-ND2 2.99Å; K472-N475 PolarHBondContact O-N 3.31Å; N475-K479 WeakPolarHBondContact O-CB 3.39Å; N475-K479 WeakPolarHBondContact O-CG 3.49Å; N475-K479 PolarHBondContact O-N 3.21Å
476L91.2Very high88.9Confident106 Ų10678 Ų7856%0.55538%0.375SS*.Hα-helixtrans-64.9-47.1174.3-175.665.2000111.3K472 E473 W474 Y478 K479 L480K472-L476 WeakPolarHBondContact O-CB 3.39Å; K472-L476 PolarHBondContact O-N 3.24Å; E473-L476 PolarHBondContact O-N 3.14Å; W474-L476 VanDerWaalsContact C-N 3.29Å; W474-L476 PolarHBondContact O-N 3.15Å; L476-Y478 VanDerWaalsContact C-N 3.32Å; L476-Y478 PolarHBondContact O-N 2.81Å; L476-K479 PolarHBondContact O-N 3.2Å; L476-L480 HydrophobicContact CG-CD1 4.23Å; L476-L480 WeakPolarHBondContact O-CG 3.36Å; L476-L480 PolarHBondContact O-N 3.23Å
477K86.7Confident88Confident134 Ų13479.4 Ų79.458%0.58339%0.385SS*.Hα-helixtrans-59.5-43.4177.6-168.8178.2-176.8-179.70111.6E473 W474 L480 L481E473-K477 WeakPolarHBondContact O-CB 3.3Å; E473-K477 PolarHBondContact O-N 3.46Å; W474-K477 PolarHBondContact O-N 3.08Å; K477-L480 PolarHBondContact O-N 2.99Å; K477-L481 HydrophobicContact CG-CD1 4.25Å; K477-L481 WeakPolarHBondContact O-CB 3.46Å; K477-L481 VanDerWaalsContact O-CG 3.31Å; K477-L481 WeakPolarHBondContact O-CG 3.36Å; K477-L481 PolarHBondContact O-N 3.26Å
478Y81.2Confident86.9Confident77 Ų7783.6 Ų83.630%0.30241%0.41SS..Hα-helixtrans-64.6-41.3177.6-171.8-105.7000112.6W474 L476 L481 K482W474-Y478 WeakPolarHBondContact O-CB 3.08Å; W474-Y478 PolarHBondContact O-N 3.46Å; L476-Y478 VanDerWaalsContact C-N 3.32Å; L476-Y478 PolarHBondContact O-N 2.81Å; Y478-L481 PolarHBondContact O-N 3.12Å; Y478-K482 HydrophobicContact CD1-CD 4.34Å; Y478-K482 HydrophobicContact CE1-CD 3.87Å; Y478-K482 HydrophobicContact CE1-CG 4.46Å; Y478-K482 VanDerWaalsContact CZ-CE 3.44Å; Y478-K482 PolarHBondContact O-N 3.23Å; Y478-K482 VanDerWaalsContact OH-CE 3.29Å; Y478-K482 WeakPolarHBondContact OH-CE 3.38Å
479K84.4Confident85.8Confident141 Ų14185.2 Ų85.261%0.61343%0.425SS*.Hα-helixtrans-62-46.4173.9-76.7177-179.6-177.30111.8N475 L476 K482 I483N475-K479 WeakPolarHBondContact O-CB 3.39Å; N475-K479 WeakPolarHBondContact O-CG 3.49Å; N475-K479 PolarHBondContact O-N 3.21Å; L476-K479 PolarHBondContact O-N 3.2Å; K479-K482 PolarHBondContact O-N 3.22Å; K479-I483 WeakPolarHBondContact O-CG1 3.48Å; K479-I483 PolarHBondContact O-N 3.47Å
480L86.6Confident84.8Confident81 Ų8187.3 Ų87.342%0.42443%0.433SS..Hα-helixtrans-60.3-47.4177.4-71.3171.3000111L476 K477 K482 I483 F484L476-L480 HydrophobicContact CG-CD1 4.23Å; L476-L480 WeakPolarHBondContact O-CG 3.36Å; L476-L480 PolarHBondContact O-N 3.23Å; K477-L480 PolarHBondContact O-N 2.99Å; L480-K482 VanDerWaalsContact C-N 3.3Å; L480-K482 PolarHBondContact O-N 3.27Å; L480-I483 WeakPolarHBondContact O-CB 3.39Å; L480-I483 PolarHBondContact O-N 3.45Å; L480-I483 VanDerWaalsContact O-N 3.08Å; L480-F484 HydrophobicContact CB-CD2 4.47Å; L480-F484 WeakPolarHBondContact O-CD2 3.49Å; L480-F484 PolarHBondContact O-N 3.36Å
481L81.3Confident83.8Confident88 Ų8890.9 Ų90.946%0.46145%0.451SS..Hα-helixtrans-57.5-41.3176.9-74.8167.3000112.5K477 Y478 F484 N485K477-L481 HydrophobicContact CG-CD1 4.25Å; K477-L481 WeakPolarHBondContact O-CB 3.46Å; K477-L481 VanDerWaalsContact O-CG 3.31Å; K477-L481 WeakPolarHBondContact O-CG 3.36Å; K477-L481 PolarHBondContact O-N 3.26Å; Y478-L481 PolarHBondContact O-N 3.12Å; L481-F484 PolarHBondContact O-N 2.93Å; L481-N485 WeakPolarHBondContact O-CB 3.38Å; L481-N485 VanDerWaalsContact O-CG 3.27Å; L481-N485 PolarHBondContact O-N 2.89Å
482K79.4Confident82.6Confident122 Ų12293.1 Ų93.153%0.5347%0.469SS..Hα-helixtrans-62.9-41.5174.5-80.9-172.1167.7-176.90112.7Y478 K479 L480 G486Y478-K482 HydrophobicContact CD1-CD 4.34Å; Y478-K482 HydrophobicContact CE1-CD 3.87Å; Y478-K482 HydrophobicContact CE1-CG 4.46Å; Y478-K482 VanDerWaalsContact CZ-CE 3.44Å; Y478-K482 PolarHBondContact O-N 3.23Å; Y478-K482 VanDerWaalsContact OH-CE 3.29Å; Y478-K482 WeakPolarHBondContact OH-CE 3.38Å; K479-K482 PolarHBondContact O-N 3.22Å; L480-K482 VanDerWaalsContact C-N 3.3Å; L480-K482 PolarHBondContact O-N 3.27Å; K482-G486 PolarHBondContact O-N 3.05Å
483I80.9Confident81.5Confident101 Ų10191 Ų9152%0.51846%0.464SS..Hα-helixtrans-64-49176.9-66.7164.6000110K479 L480 N485 G486 I487K479-I483 WeakPolarHBondContact O-CG1 3.48Å; K479-I483 PolarHBondContact O-N 3.47Å; L480-I483 WeakPolarHBondContact O-CB 3.39Å; L480-I483 PolarHBondContact O-N 3.45Å; L480-I483 VanDerWaalsContact O-N 3.08Å; I483-N485 PolarHBondContact O-N 3.47Å; I483-G486 PolarHBondContact O-N 3.33Å; I483-I487 HydrophobicContact CG2-CD1 3.88Å; I483-I487 WeakPolarHBondContact O-CG1 3.4Å; I483-I487 PolarHBondContact O-N 3.27Å
484F79.2Confident80.6Confident128 Ų12891.6 Ų91.656%0.56147%0.469SS*.Hα-helixtrans-58.8-46.6177.6-83.9-74.4000112L480 L481 G486 I487 V488L480-F484 HydrophobicContact CB-CD2 4.47Å; L480-F484 WeakPolarHBondContact O-CD2 3.49Å; L480-F484 PolarHBondContact O-N 3.36Å; L481-F484 PolarHBondContact O-N 2.93Å; F484-G486 VanDerWaalsContact C-N 3.32Å; F484-G486 PolarHBondContact O-N 3.31Å; F484-I487 PolarHBondContact O-N 3.41Å; F484-V488 WeakPolarHBondContact O-CG2 3.4Å; F484-V488 PolarHBondContact O-N 2.9Å
485N77.4Confident79.7Confident102 Ų10295.3 Ų95.355%0.54549%0.492SS..Hα-helixtrans-64.5-35.8177.6-72.6-10.8000112.6L481 I483 S489L481-N485 WeakPolarHBondContact O-CB 3.38Å; L481-N485 VanDerWaalsContact O-CG 3.27Å; L481-N485 PolarHBondContact O-N 2.89Å; I483-N485 PolarHBondContact O-N 3.47Å; N485-S489 WeakPolarHBondContact O-CB 3.3Å; N485-S489 PolarHBondContact O-N 3.49Å; N485-S489 PolarHBondContact O-OG 3.11Å
486G76.4Confident78.9Confident42 Ų42102.8 Ų102.843%0.43352%0.519SS..Hα-helixtrans-63.6-43.1173.800000112.4K482 I483 F484 S489 F490K482-G486 PolarHBondContact O-N 3.05Å; I483-G486 PolarHBondContact O-N 3.33Å; F484-G486 VanDerWaalsContact C-N 3.32Å; F484-G486 PolarHBondContact O-N 3.31Å; G486-S489 PolarHBondContact O-N 2.97Å; G486-F490 WeakPolarHBondContact O-CB 3.37Å; G486-F490 PolarHBondContact O-N 3.46Å
487I78.7Confident78.2Confident90 Ų90104 Ų10446%0.46253%0.525SS..Hα-helixtrans-64.8-46.8176.3-66.5166.3000110.8I483 F484 S489 F490 I491I483-I487 HydrophobicContact CG2-CD1 3.88Å; I483-I487 WeakPolarHBondContact O-CG1 3.4Å; I483-I487 PolarHBondContact O-N 3.27Å; F484-I487 PolarHBondContact O-N 3.41Å; I487-S489 VanDerWaalsContact C-N 3.34Å; I487-S489 PolarHBondContact O-N 3.45Å; I487-F490 WeakPolarHBondContact O-CB 3.34Å; I487-F490 PolarHBondContact O-N 2.99Å; I487-I491 HydrophobicContact CG2-CD1 3.78Å; I487-I491 HydrophobicContact CG2-CG1 4.41Å; I487-I491 WeakPolarHBondContact O-CG1 3.25Å; I487-I491 PolarHBondContact O-N 3.01Å
488V76Confident77.4Confident89 Ų89103.3 Ų103.354%0.53956%0.556SS.*Hα-helixtrans-62-42.6178.51730000111.2F484 F490 I491 S492F484-V488 WeakPolarHBondContact O-CG2 3.4Å; F484-V488 PolarHBondContact O-N 2.9Å; V488-F490 VanDerWaalsContact C-N 3.31Å; V488-F490 PolarHBondContact O-N 3.01Å; V488-I491 PolarHBondContact O-N 2.9Å; V488-S492 WeakPolarHBondContact O-CB 3.42Å; V488-S492 PolarHBondContact O-N 3.28Å; V488-S492 PolarHBondContact O-OG 2.89Å
489S75.6Confident77.2Confident71 Ų71104.6 Ų104.650%0.49757%0.569SS.*Hα-helixtrans-62.5-40.7176.5-570000111.3N485 G486 I487 S492 L493N485-S489 WeakPolarHBondContact O-CB 3.3Å; N485-S489 PolarHBondContact O-N 3.49Å; N485-S489 PolarHBondContact O-OG 3.11Å; G486-S489 PolarHBondContact O-N 2.97Å; I487-S489 VanDerWaalsContact C-N 3.34Å; I487-S489 PolarHBondContact O-N 3.45Å; S489-S492 WeakPolarHBondContact CA-OG 3.33Å; S489-S492 PolarHBondContact O-N 3.3Å; S489-S492 PolarHBondContact O-OG 3.48Å; S489-L493 WeakPolarHBondContact O-CB 3.47Å; S489-L493 PolarHBondContact O-N 3.3Å
490F76.2Confident76.8Confident127 Ų127102.7 Ų102.756%0.55757%0.566SS**Hα-helixtrans-65.1-42.8176.1-174.6-103.8000112.4G486 I487 V488 L493 L494G486-F490 WeakPolarHBondContact O-CB 3.37Å; G486-F490 PolarHBondContact O-N 3.46Å; I487-F490 WeakPolarHBondContact O-CB 3.34Å; I487-F490 PolarHBondContact O-N 2.99Å; V488-F490 VanDerWaalsContact C-N 3.31Å; V488-F490 PolarHBondContact O-N 3.01Å; F490-L493 WeakPolarHBondContact O-CB 3.36Å; F490-L493 PolarHBondContact O-N 3.15Å; F490-L494 HydrophobicContact CD1-CD1 3.82Å; F490-L494 HydrophobicContact CD1-CG 4.43Å; F490-L494 HydrophobicContact CE1-CD1 3.46Å; F490-L494 VanDerWaalsContact CE1-CD1 3.46Å; F490-L494 HydrophobicContact CE1-CG 4.15Å; F490-L494 HydrophobicContact CZ-CD1 4.08Å; F490-L494 HydrophobicContact CZ-CD2 4.49Å; F490-L494 HydrophobicContact CZ-CG 4.37Å; F490-L494 WeakPolarHBondContact O-CG 3.39Å; F490-L494 PolarHBondContact O-N 3.22Å
491I76Confident76.3Confident82 Ų82103.9 Ų103.942%0.42157%0.574SS.*Hα-helixtrans-62.6-46.3174.7-66166.5000110.3I487 V488 L493 L494 D495I487-I491 HydrophobicContact CG2-CD1 3.78Å; I487-I491 HydrophobicContact CG2-CG1 4.41Å; I487-I491 WeakPolarHBondContact O-CG1 3.25Å; I487-I491 PolarHBondContact O-N 3.01Å; V488-I491 PolarHBondContact O-N 2.9Å; I491-L493 PolarHBondContact O-N 3.45Å; I491-L494 WeakPolarHBondContact O-CB 3.32Å; I491-L494 PolarHBondContact O-N 2.8Å; I491-L494 VanDerWaalsContact O-N 3.07Å; I491-D495 PolarHBondContact O-N 2.93Å
492S72.5Confident76Confident68 Ų68104.8 Ų104.848%0.47658%0.581SS.*Hα-helixtrans-62.4-30.9177.668.60000113.4V488 S489 Y496V488-S492 WeakPolarHBondContact O-CB 3.42Å; V488-S492 PolarHBondContact O-N 3.28Å; V488-S492 PolarHBondContact O-OG 2.89Å; S489-S492 WeakPolarHBondContact CA-OG 3.33Å; S489-S492 PolarHBondContact O-N 3.3Å; S489-S492 PolarHBondContact O-OG 3.48Å; S492-Y496 WeakPolarHBondContact O-CB 3.24Å; S492-Y496 PolarHBondContact O-N 3.27Å; S492-Y496 VanDerWaalsContact O-N 3.08Å
493L72Confident75.8Confident99 Ų99103.8 Ų103.852%0.51858%0.584SS.*Hα-helixtrans-71.8-40.3174.2-166.481.5000111S489 F490 I491 Y496 L497S489-L493 WeakPolarHBondContact O-CB 3.47Å; S489-L493 PolarHBondContact O-N 3.3Å; F490-L493 WeakPolarHBondContact O-CB 3.36Å; F490-L493 PolarHBondContact O-N 3.15Å; I491-L493 PolarHBondContact O-N 3.45Å; L493-Y496 PolarHBondContact O-N 2.9Å; L493-L497 HydrophobicContact CD2-CD1 4.41Å; L493-L497 HydrophobicContact CG-CD1 4.09Å; L493-L497 WeakPolarHBondContact O-CB 3.27Å; L493-L497 VanDerWaalsContact O-CG 3.23Å; L493-L497 WeakPolarHBondContact O-CG 3.38Å; L493-L497 PolarHBondContact O-N 3.24Å; L493-L497 VanDerWaalsContact O-N 3.09Å
494L75.9Confident75.4Confident90 Ų90103.9 Ų103.947%0.47159%0.589SS.*Hα-helixtrans-64.2-43174.1-72.3172.7000111.5F490 I491 Y496 L497 G498F490-L494 HydrophobicContact CD1-CD1 3.82Å; F490-L494 HydrophobicContact CD1-CG 4.43Å; F490-L494 HydrophobicContact CE1-CD1 3.46Å; F490-L494 VanDerWaalsContact CE1-CD1 3.46Å; F490-L494 HydrophobicContact CE1-CG 4.15Å; F490-L494 HydrophobicContact CZ-CD1 4.08Å; F490-L494 HydrophobicContact CZ-CD2 4.49Å; F490-L494 HydrophobicContact CZ-CG 4.37Å; F490-L494 WeakPolarHBondContact O-CG 3.39Å; F490-L494 PolarHBondContact O-N 3.22Å; I491-L494 WeakPolarHBondContact O-CB 3.32Å; I491-L494 PolarHBondContact O-N 2.8Å; I491-L494 VanDerWaalsContact O-N 3.07Å; L494-Y496 VanDerWaalsContact C-N 3.25Å; L494-Y496 PolarHBondContact O-N 3.47Å; L494-L497 PolarHBondContact O-N 2.84Å; L494-L497 VanDerWaalsContact O-N 3.17Å; L494-G498 PolarHBondContact O-N 3.28Å
495D74.2Confident75.1Confident121 Ų121102.2 Ų102.265%0.64759%0.591SS**Hα-helixtrans-65.9-26.8176.5-68.6-22.6000112.6I491I491-D495 PolarHBondContact O-N 2.93Å
496Y75.5Confident75Confident200 Ų200102.2 Ų102.278%0.78459%0.594SS**Hα-helixtrans-81.5-23.1174.5-170.4-95.5000113S492 L493 L494S492-Y496 WeakPolarHBondContact O-CB 3.24Å; S492-Y496 PolarHBondContact O-N 3.27Å; S492-Y496 VanDerWaalsContact O-N 3.08Å; L493-Y496 PolarHBondContact O-N 2.9Å; L494-Y496 VanDerWaalsContact C-N 3.25Å; L494-Y496 PolarHBondContact O-N 3.47Å
497L77.1Confident74.9Confident130 Ų130107.3 Ų107.368%0.68161%0.607SS**Hα-helixtrans-96.7-15.6-177.6-72.2171.8000113.9L493 L494L493-L497 HydrophobicContact CD2-CD1 4.41Å; L493-L497 HydrophobicContact CG-CD1 4.09Å; L493-L497 WeakPolarHBondContact O-CB 3.27Å; L493-L497 VanDerWaalsContact O-CG 3.23Å; L493-L497 WeakPolarHBondContact O-CG 3.38Å; L493-L497 PolarHBondContact O-N 3.24Å; L493-L497 VanDerWaalsContact O-N 3.09Å; L494-L497 PolarHBondContact O-N 2.84Å; L494-L497 VanDerWaalsContact O-N 3.17Å
498G68.7Low74.5Confident120 Ų120108.8 Ų108.8100%1.23762%0.621SS**  trans-93.80172.300000111.9L494L494-G498 PolarHBondContact O-N 3.28Å

Retrieved 498 of 498 residues in 1106.6 ms (Link to these results)

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