G4VF49_SCHMA Loading...

Lysosomal Pro-Xaa carboxypeptidase (S28 family)

AlphaFold DB (A0A3Q0KBJ8), UniProt , Accession G4VF49, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 535 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
1M31.5Very low30.9Very low244 Ų244112.4 Ų112.4100%1.20261%0.609SS**  0101.40-72.6169.280.200106.4
2I27.3Very low32Very low166 Ų166104.1 Ų104.185%0.85157%0.565SS**  trans-76.5122.9179.8-61.1169.5000106.3A4I2-A4 PolarHBondContact O-N 3.22Å
3P26.4Very low33.2Very low105 Ų10597.1 Ų97.168%0.68253%0.527SS*.  trans-67.3124.8174.115.6-6.8000107.4L5P3-L5 VanDerWaalsContact C-N 3.28Å; P3-L5 PolarHBondContact O-N 3.27Å
4A26.6Very low34.1Very low94 Ų9490.5 Ų90.578%0.77749%0.492SS*.  trans-6295.3166.700000107.5I2 I6I2-A4 PolarHBondContact O-N 3.22Å; A4-I6 PolarHBondContact O-N 3.43Å; A4-I6 VanDerWaalsContact O-N 3.08Å
5L29.5Very low35Very low105 Ų10584.8 Ų84.855%0.5546%0.461SS..  trans-62.2109.3167.5-89.8154.2000106.7P3 F7 V231P3-L5 VanDerWaalsContact C-N 3.28Å; P3-L5 PolarHBondContact O-N 3.27Å; L5-F7 PolarHBondContact O-N 3.5Å; L5-V231 HydrophobicContact CD1-CG1 4.27Å
6I27.2Very low35.6Very low140 Ų14079.5 Ų79.572%0.71843%0.432SS*.  trans-62.3106.8174-63.4168.8000106A4 S8A4-I6 PolarHBondContact O-N 3.43Å; A4-I6 VanDerWaalsContact O-N 3.08Å; I6-S8 PolarHBondContact O-N 3.18Å; I6-S8 PolarHBondContact O-OG 3.41Å; I6-S8 VanDerWaalsContact O-OG 3.12Å
7F30.7Very low36.6Very low88 Ų8875.4 Ų75.439%0.38641%0.409SS..  trans-63.185.2162.1-91.5-88.7000106.9L5 F9 L10 P366L5-F7 PolarHBondContact O-N 3.5Å; F7-F9 PolarHBondContact O-N 3.08Å; F7-L10 HydrophobicContact CD1-CD1 4.47Å; F7-P366 HydrophobicContact CE1-CB 4.5Å
8S28.5Very low37.6Very low67 Ų6771.3 Ų71.347%0.46939%0.387SS..  trans-75.8111177.7-31.40000107.6I6I6-S8 PolarHBondContact O-N 3.18Å; I6-S8 PolarHBondContact O-OG 3.41Å; I6-S8 VanDerWaalsContact O-OG 3.12Å
9F31.9Very low38.5Very low146 Ų14667.8 Ų67.864%0.6437%0.368SS*.  trans62.662.4158.5-56.3-78.1000117.4F7 L11 T374F7-F9 PolarHBondContact O-N 3.08Å; F9-L11 PolarHBondContact O-N 2.92Å; F9-L11 VanDerWaalsContact O-N 3.13Å; F9-T374 HydrophobicContact CD1-CG2 3.37Å; F9-T374 HydrophobicContact CE1-CG2 3.32Å
10L36.1Very low39.7Very low29 Ų2965 Ų6515%0.15235%0.352CS..  trans-67.1106.8147-79.5162.6000107F7 D261 P366 P367F7-L10 HydrophobicContact CD1-CD1 4.47Å; L10-D261 WeakPolarHBondContact CD2-OD1 3.33Å; L10-P366 HydrophobicContact CD1-CB 4.02Å; L10-P366 HydrophobicContact CD1-CG 3.84Å; L10-P366 HydrophobicContact CD2-CG 4.35Å; L10-P367 WeakPolarHBondContact CD1-O 3.49Å
11L43.8Very low40.9Very low52 Ų5262.5 Ų62.527%0.27234%0.338SS..  trans-57.6125.9161.2-89.8157.7000106F9 L13 L17 Y375 Y378F9-L11 PolarHBondContact O-N 2.92Å; F9-L11 VanDerWaalsContact O-N 3.13Å; L11-L13 PolarHBondContact O-N 3.06Å; L11-L17 HydrophobicContact CB-CD1 4.29Å; L11-Y375 HydrophobicContact CD2-CD2 4.3Å; L11-Y378 HydrophobicContact CD1-CD2 3.75Å; L11-Y378 HydrophobicContact CD1-CE2 3.63Å; L11-Y378 HydrophobicContact CD1-CG 4.33Å; L11-Y378 HydrophobicContact CD2-CD1 3.88Å; L11-Y378 HydrophobicContact CD2-CD2 4.02Å; L11-Y378 HydrophobicContact CD2-CE1 4.29Å; L11-Y378 HydrophobicContact CD2-CE2 4.4Å; L11-Y378 HydrophobicContact CD2-CG 3.73Å
12P44Very low42.8Very low13 Ų1351.4 Ų51.48%0.08428%0.283CS..  trans-53.8129.8-175.119.6-29.2000108.6S14 L17 T356 W370 Y375P12-S14 VanDerWaalsContact C-N 3.3Å; P12-S14 PolarHBondContact O-N 3.33Å; P12-L17 WeakPolarHBondContact O-CD1 3.47Å; P12-T356 WeakPolarHBondContact CB-OG1 3.48Å; P12-W370 HydrophobicContact CB-CE3 3.67Å; P12-W370 HydrophobicContact CB-CZ3 3.92Å; P12-W370 HydrophobicContact CG-CE3 3.41Å; P12-W370 VanDerWaalsContact CG-CE3 3.41Å; P12-W370 HydrophobicContact CG-CZ3 3.28Å; P12-Y375 HydrophobicContact CG-CD2 3.96Å; P12-Y375 HydrophobicContact CG-CE2 4.3Å
13L47.9Very low44.7Very low13 Ų1346.7 Ų46.77%0.06826%0.264CS..  trans-47.397.3173.9-80.5126.5000108.2L11 L18 T356 M365L11-L13 PolarHBondContact O-N 3.06Å; L13-L18 HydrophobicContact CD2-CD2 4.42Å; L13-T356 PolarHBondContact N-OG1 3.31Å; L13-T356 VanDerWaalsContact O-CG2 3.25Å; L13-T356 WeakPolarHBondContact O-CG2 3.38Å; L13-T356 PolarHBondContact O-OG1 3.44Å; L13-M365 HydrophobicContact CD1-CE 3.47Å; L13-M365 VanDerWaalsContact CD1-CE 3.47Å; L13-M365 HydrophobicContact CD2-CE 3.66Å; L13-M365 HydrophobicContact CG-CE 4.23Å
14S45.7Very low46.7Very low5 Ų542.9 Ų42.94%0.03524%0.235CC..  trans-103.7153.617265.60000106.3P12 G16 L17P12-S14 VanDerWaalsContact C-N 3.3Å; P12-S14 PolarHBondContact O-N 3.33Å; S14-G16 PolarHBondContact O-N 2.87Å; S14-L17 WeakPolarHBondContact O-CA 3.38Å; S14-L17 VanDerWaalsContact O-CB 3.32Å; S14-L17 WeakPolarHBondContact O-CB 3.3Å; S14-L17 PolarHBondContact O-N 2.91Å
15F48.5Very low48.7Very low5 Ų539.3 Ų39.32%0.02221%0.205CC..Hα-helixtrans-56.6-24.9-178.4-164.8-87.6000112.9L17 L18 T19 W24 E78 M272 W344 W417F15-L17 VanDerWaalsContact C-N 3.28Å; F15-L17 PolarHBondContact O-N 3.5Å; F15-L18 HydrophobicContact CD2-CD1 4.1Å; F15-L18 PolarHBondContact O-N 3.31Å; F15-T19 HydrophobicContact CE1-CG2 4.24Å; F15-T19 PolarHBondContact O-N 3.29Å; F15-W24 HydrophobicContact CE1-CH2 4.01Å; F15-W24 AromaticContact CE1-CZ2 3.97Å; F15-W24 HydrophobicContact CE1-CZ2 3.97Å; F15-W24 HydrophobicContact CZ-CH2 4.01Å; F15-W24 HydrophobicContact CZ-CZ2 4.43Å; F15-E78 HydrophobicContact CD1-CG 3.89Å; F15-E78 WeakPolarHBondContact CD1-OE1 3.27Å; F15-E78 HydrophobicContact CE1-CG 3.76Å; F15-E78 WeakPolarHBondContact CE1-OE1 3.41Å; F15-E78 WeakPolarHBondContact CZ-OE1 3.3Å; F15-M272 HydrophobicContact CD2-SD 4.32Å; F15-M272 HydrophobicContact CE2-CE 4.1Å; F15-M272 HydrophobicContact CE2-SD 3.61Å; F15-M272 HydrophobicContact CZ-CE 4.43Å; F15-M272 HydrophobicContact CZ-SD 4.45Å; F15-W344 HydrophobicContact CB-CZ2 3.93Å; F15-W417 HydrophobicContact CB-CH2 4.24Å; F15-W417 HydrophobicContact CB-CZ2 3.88Å; F15-W417 AromaticContact CD2-CE2 3.77Å; F15-W417 AromaticContact CD2-CZ2 3.61Å; F15-W417 HydrophobicContact CD2-CZ2 3.61Å; F15-W417 AromaticContact CD2-NE1 3.67Å; F15-W417 AromaticContact CE2-NE1 3.95Å; F15-W417 HydrophobicContact CG-CZ2 4.25Å
16G44.3Very low50.5Low0 Ų040.2 Ų40.20%022%0.215CC..Hα-helixtrans-68.7-23.617300000113.8S14 R20 W344S14-G16 PolarHBondContact O-N 2.87Å; G16-R20 VanDerWaalsContact O-CG 3.22Å; G16-R20 WeakPolarHBondContact O-CG 3.25Å; G16-R20 PolarHBondContact O-N 2.99Å; G16-W344 VanDerWaalsContact N-NE1 3.15Å
17L52.2Low52.8Low10 Ų1038.7 Ų38.75%0.05221%0.207CC..Hα-helixtrans-72.5-39.9169.6-78.4147.1000111L11 P12 S14 F15 T19 R20 M334L11-L17 HydrophobicContact CB-CD1 4.29Å; P12-L17 WeakPolarHBondContact O-CD1 3.47Å; S14-L17 WeakPolarHBondContact O-CA 3.38Å; S14-L17 VanDerWaalsContact O-CB 3.32Å; S14-L17 WeakPolarHBondContact O-CB 3.3Å; S14-L17 PolarHBondContact O-N 2.91Å; F15-L17 VanDerWaalsContact C-N 3.28Å; F15-L17 PolarHBondContact O-N 3.5Å; L17-T19 PolarHBondContact O-N 3.25Å; L17-R20 VanDerWaalsContact CD2-NH1 3.33Å; L17-R20 WeakPolarHBondContact O-CB 3.42Å; L17-R20 PolarHBondContact O-N 3.46Å; L17-R20 VanDerWaalsContact O-N 3.11Å; L17-M334 HydrophobicContact CD2-CE 4.44Å
18L54Low55.1Low1 Ų141.1 Ų41.11%0.00522%0.218CC..Hα-helixtrans-61.5-31.3178.6-59172.7000112.8L13 F15 D265 I269 M272 W417L13-L18 HydrophobicContact CD2-CD2 4.42Å; F15-L18 HydrophobicContact CD2-CD1 4.1Å; F15-L18 PolarHBondContact O-N 3.31Å; L18-D265 WeakPolarHBondContact CD2-O 3.27Å; L18-I269 HydrophobicContact CB-CD1 4.33Å; L18-I269 HydrophobicContact CB-CG1 3.98Å; L18-I269 HydrophobicContact CD2-CG1 3.84Å; L18-I269 HydrophobicContact CG-CG1 4.4Å; L18-I269 WeakPolarHBondContact O-CD1 3.43Å; L18-M272 HydrophobicContact CD1-CE 4.35Å; L18-M272 HydrophobicContact CD1-SD 4.1Å; L18-W417 HydrophobicContact CD1-CZ2 4.43Å
19T56.3Low57.6Low5 Ų539.9 Ų39.93%0.03121%0.206CC..THydrogen-bonded Turntrans-92.9-7.2178.855.30000114.3F15 L17 F22 W24 V341F15-T19 HydrophobicContact CE1-CG2 4.24Å; F15-T19 PolarHBondContact O-N 3.29Å; L17-T19 PolarHBondContact O-N 3.25Å; T19-F22 WeakPolarHBondContact CA-O 3.35Å; T19-W24 HydrophobicContact CG2-CZ2 4.14Å; T19-V341 WeakPolarHBondContact O-CG2 3.39Å
20R62.3Low60Low12 Ų1238.3 Ų38.35%0.04521%0.21CC..THydrogen-bonded Turntrans-64.7-41.6179.3-88.8167.6-158.8-164.2-1.4112.7G16 L17 L336 V341 D345 Y378G16-R20 VanDerWaalsContact O-CG 3.22Å; G16-R20 WeakPolarHBondContact O-CG 3.25Å; G16-R20 PolarHBondContact O-N 2.99Å; L17-R20 VanDerWaalsContact CD2-NH1 3.33Å; L17-R20 WeakPolarHBondContact O-CB 3.42Å; L17-R20 PolarHBondContact O-N 3.46Å; L17-R20 VanDerWaalsContact O-N 3.11Å; R20-L336 WeakPolarHBondContact O-CD1 3.22Å; R20-V341 HydrophobicContact CG-CG1 3.55Å; R20-D345 VanDerWaalsContact NH2-CG 3.26Å; R20-D345 IonicContact NH2-OD1 3.04Å; R20-D345 PolarHBondContact NH2-OD1 3.49Å; R20-D345 IonicContact NH2-OD2 3.5Å; R20-D345 PolarHBondContact NH2-OD2 3.15Å; R20-Y378 PolarHBondContact NH2-OH 3.48Å
21H64.9Low62.3Low13 Ų1343.2 Ų43.26%0.0624%0.237CC..SBendtrans-94.7-16.4178.6-5899.3000113Y262 D265 I332H21-Y262 HydrophobicContact CB-CD2 4.06Å; H21-Y262 HydrophobicContact CB-CE2 4.19Å; H21-Y262 AromaticContact CD2-CD2 3.69Å; H21-Y262 AromaticContact CG-CD2 3.87Å; H21-D265 IonicContact CE1-OD2 2.82Å; H21-D265 PolarHBondContact CE1-OD2 3.01Å; H21-D265 IonicContact ND1-OD2 2.64Å; H21-D265 PolarHBondContact ND1-OD2 2.85Å; H21-I332 PolarHBondContact NE2-O 3.13Å
22F71.5Confident64.6Low10 Ų1041.5 Ų41.54%0.04423%0.227CC..SBendtrans-134.897.6-171-52.1-77.4000111T19 Y262 F266 I269 I282 L283T19-F22 WeakPolarHBondContact CA-O 3.35Å; F22-Y262 HydrophobicContact CE1-CE2 4.08Å; F22-Y262 HydrophobicContact CE2-CE2 4.35Å; F22-Y262 HydrophobicContact CZ-CD2 4.37Å; F22-Y262 AromaticContact CZ-CE2 3.61Å; F22-Y262 HydrophobicContact CZ-CE2 3.61Å; F22-Y262 AromaticContact CZ-CZ 3.69Å; F22-F266 HydrophobicContact CE1-CD2 4.41Å; F22-F266 HydrophobicContact CE2-CB 4.34Å; F22-F266 HydrophobicContact CZ-CB 4.13Å; F22-F266 AromaticContact CZ-CD2 3.85Å; F22-F266 HydrophobicContact CZ-CD2 3.85Å; F22-F266 HydrophobicContact CZ-CG 4.46Å; F22-I269 HydrophobicContact CB-CD1 3.96Å; F22-I269 HydrophobicContact CD2-CD1 2.97Å; F22-I269 HydrophobicContact CD2-CG1 4.46Å; F22-I269 HydrophobicContact CE2-CD1 3.49Å; F22-I269 VanDerWaalsContact CE2-CD1 3.49Å; F22-I269 HydrophobicContact CG-CD1 3.64Å; F22-I282 HydrophobicContact CB-CG2 3.25Å; F22-I282 HydrophobicContact CG-CG2 4.32Å; F22-I282 WeakPolarHBondContact O-CG2 3.39Å; F22-L283 HydrophobicContact CB-CG 4.47Å; F22-L283 HydrophobicContact CD1-CD1 3.62Å; F22-L283 HydrophobicContact CD1-CD2 3.67Å; F22-L283 HydrophobicContact CD1-CG 3.78Å; F22-L283 HydrophobicContact CE1-CD1 3.72Å; F22-L283 HydrophobicContact CE1-CD2 4.26Å; F22-L283 HydrophobicContact CE1-CG 4.36Å; F22-L283 HydrophobicContact CG-CD1 4.27Å; F22-L283 HydrophobicContact CG-CG 4.33Å; F22-L283 HydrophobicContact CZ-CD1 4.44Å
23P67.4Low67Low68 Ų6843.9 Ų43.944%0.44224%0.241SC..PPolyproline II helixtrans-69.7161.1179.429.8-34.9000111.9I282P23-I282 VanDerWaalsContact O-O 3.11Å
24W67.4Low69.3Low24 Ų2445.4 Ų45.49%0.09125%0.247CC..PPolyproline II helixtrans-60.3141.6176.9-66.9114.1000112.9F15 T19 E78 T83 F84 L281 I282F15-W24 HydrophobicContact CE1-CH2 4.01Å; F15-W24 AromaticContact CE1-CZ2 3.97Å; F15-W24 HydrophobicContact CE1-CZ2 3.97Å; F15-W24 HydrophobicContact CZ-CH2 4.01Å; F15-W24 HydrophobicContact CZ-CZ2 4.43Å; T19-W24 HydrophobicContact CG2-CZ2 4.14Å; W24-E78 HydrophobicContact CZ2-CG 4.31Å; W24-E78 PolarHBondContact NE1-O 3.17Å; W24-T83 HydrophobicContact CB-CG2 4.2Å; W24-T83 HydrophobicContact CD2-CG2 4.4Å; W24-T83 HydrophobicContact CE3-CG2 3.94Å; W24-F84 HydrophobicContact CH2-CE1 4.22Å; W24-F84 HydrophobicContact CZ2-CE1 4.42Å; W24-F84 HydrophobicContact CZ2-CZ 4.38Å; W24-L281 HydrophobicContact CE3-CD1 4.4Å; W24-L281 HydrophobicContact CE3-CG 4.44Å; W24-L281 HydrophobicContact CZ3-CD1 4.03Å; W24-L281 HydrophobicContact CZ3-CD2 4.46Å; W24-L281 HydrophobicContact CZ3-CG 3.95Å; W24-I282 HydrophobicContact CE3-CG1 3.93Å; W24-I282 HydrophobicContact CZ3-CD1 4.29Å; W24-I282 HydrophobicContact CZ3-CG1 3.79Å
25S69.7Low71.8Confident19 Ų1950.7 Ų50.713%0.13327%0.271CS..PPolyproline II helixtrans-71.3137.5171.2176.30000111I27 T83 S280 L281S25-I27 WeakPolarHBondContact OG-CG1 3.37Å; S25-I27 PolarHBondContact OG-N 3.45Å; S25-T83 WeakPolarHBondContact O-CG2 3.39Å; S25-T83 PolarHBondContact O-OG1 2.94Å; S25-S280 WeakPolarHBondContact CB-O 2.86Å; S25-S280 PolarHBondContact OG-O 3.03Å; S25-L281 VanDerWaalsContact CB-O 3.25Å; S25-L281 WeakPolarHBondContact CB-O 3.44Å; S25-L281 PolarHBondContact N-O 3.26Å
26T67Low74.1Confident125 Ų12553.5 Ų53.577%0.76729%0.288SS*.  trans-110.623.9176.563.80000112.9K28T26-K28 PolarHBondContact O-N 2.79Å
27I75.4Confident76.7Confident107 Ų10756.1 Ų56.155%0.54930%0.3SS..PPolyproline II helixtrans-71.3118.5-179.5-62.1173.4000109.5S25S25-I27 WeakPolarHBondContact OG-CG1 3.37Å; S25-I27 PolarHBondContact OG-N 3.45Å
28K78.8Confident78.9Confident140 Ų14061.4 Ų61.461%0.60932%0.32SS*.PPolyproline II helixtrans-82.4132.7177-171.5174.8-175.4176.70111.3T26T26-K28 PolarHBondContact O-N 2.79Å
29N81.1Confident80.9Confident41 Ų4161.5 Ų61.522%0.21932%0.32CS..PPolyproline II helixtrans-88.8118.9168.9-172.2-17.4000109.5D31 F32 E86N29-D31 PolarHBondContact O-N 3.41Å; N29-D31 VanDerWaalsContact O-N 3.16Å; N29-D31 WeakPolarHBondContact OD1-CB 3.35Å; N29-D31 PolarHBondContact OD1-N 3.39Å; N29-F32 HydrophobicContact CB-CD2 3.7Å; N29-F32 HydrophobicContact CB-CE2 3.94Å; N29-F32 HydrophobicContact CB-CG 4.29Å; N29-F32 WeakPolarHBondContact ND2-CE2 3.39Å; N29-F32 WeakPolarHBondContact ND2-CZ 3.49Å; N29-F32 PolarHBondContact O-N 2.68Å; N29-E86 WeakPolarHBondContact CA-OE2 3.49Å; N29-E86 WeakPolarHBondContact CB-OE2 3.41Å; N29-E86 PolarHBondContact N-OE2 2.81Å
30P81.4Confident82.9Confident113 Ų11369 Ų6973%0.73435%0.348SS*.THydrogen-bonded Turntrans-63.8-19.1-179.827.6-35.9000113.8F32P30-F32 VanDerWaalsContact C-N 3.26Å; P30-F32 PolarHBondContact O-N 3.35Å
31D85.6Confident84.6Confident132 Ų13268.7 Ų68.771%0.70635%0.347SS*.THydrogen-bonded Turntrans-75-15.1179.2-66-22.7000113.2N29N29-D31 PolarHBondContact O-N 3.41Å; N29-D31 VanDerWaalsContact O-N 3.16Å; N29-D31 WeakPolarHBondContact OD1-CB 3.35Å; N29-D31 PolarHBondContact OD1-N 3.39Å
32F92.2Very high86.2Confident15 Ų1574.1 Ų74.17%0.06637%0.367CS..  trans-102.1114-179.9-55.7-27.1000110.5N29 P30 E86 W92N29-F32 HydrophobicContact CB-CD2 3.7Å; N29-F32 HydrophobicContact CB-CE2 3.94Å; N29-F32 HydrophobicContact CB-CG 4.29Å; N29-F32 WeakPolarHBondContact ND2-CE2 3.39Å; N29-F32 WeakPolarHBondContact ND2-CZ 3.49Å; N29-F32 PolarHBondContact O-N 2.68Å; P30-F32 VanDerWaalsContact C-N 3.26Å; P30-F32 PolarHBondContact O-N 3.35Å; F32-E86 WeakPolarHBondContact CD2-OE2 3.31Å; F32-W92 HydrophobicContact CB-CD2 4.4Å; F32-W92 HydrophobicContact CB-CZ2 4.48Å; F32-W92 HydrophobicContact CD1-CB 3.97Å; F32-W92 AromaticContact CD1-CD1 3.73Å; F32-W92 HydrophobicContact CD1-CD2 4.16Å; F32-W92 AromaticContact CD1-CG 3.68Å; F32-W92 HydrophobicContact CD1-CG 3.68Å; F32-W92 AromaticContact CD2-CD1 3.85Å; F32-W92 AromaticContact CD2-NE1 3.71Å; F32-W92 HydrophobicContact CE1-CB 3.87Å; F32-W92 AromaticContact CE1-CD1 3.7Å; F32-W92 AromaticContact CE1-CG 3.85Å; F32-W92 HydrophobicContact CE1-CG 3.85Å; F32-W92 AromaticContact CE2-CD1 3.82Å; F32-W92 AromaticContact CG-CD1 3.82Å; F32-W92 HydrophobicContact CG-CD2 4.22Å; F32-W92 HydrophobicContact CG-CG 4.07Å; F32-W92 AromaticContact CG-NE1 3.81Å; F32-W92 AromaticContact CZ-CD1 3.75Å; F32-W92 HydrophobicContact CZ-CG 4.35Å
33T93.2Very high87.5Confident64 Ų6473.6 Ų73.639%0.39337%0.365SS..  trans-101.8132.7176.355.40000109.8N61 E63T33-N61 WeakPolarHBondContact O-CB 3.3Å; T33-N61 PolarHBondContact O-ND2 3.27Å; T33-N61 PolarHBondContact OG1-ND2 3.45Å; T33-E63 PolarHBondContact OG1-OE2 2.92Å
34Y96.7Very high88.9Confident45 Ų4571.3 Ų71.318%0.17635%0.349CS..  trans-156.4152.6173.449.4-99.3000111.1L59 I60 A85 E86 W92Y34-L59 HydrophobicContact CD2-CB 3.93Å; Y34-L59 HydrophobicContact CD2-CD1 3.92Å; 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 3.77Å; Y34-L59 HydrophobicContact CE2-CD2 3.9Å; Y34-L59 HydrophobicContact CE2-CG 4.29Å; Y34-L59 HydrophobicContact CG-CB 4.12Å; Y34-L59 HydrophobicContact CG-CD1 4.33Å; Y34-I60 WeakPolarHBondContact CA-O 3.36Å; Y34-A85 HydrophobicContact CE1-CB 4.41Å; Y34-E86 VanDerWaalsContact CE1-OE1 3.25Å; Y34-E86 WeakPolarHBondContact CE1-OE1 3.36Å; Y34-E86 PolarHBondContact OH-OE1 2.82Å; Y34-W92 AromaticContact CD1-CH2 3.79Å; Y34-W92 HydrophobicContact CD1-CH2 3.79Å; Y34-W92 AromaticContact CD1-CZ2 3.99Å; Y34-W92 HydrophobicContact CD1-CZ2 3.99Å; Y34-W92 HydrophobicContact CG-CH2 4.32Å
35E97.1Very high90.4Very high116 Ų11672 Ų7254%0.54235%0.354SS..EExtended strand (participates in β ladder)trans-94.3130.8169.4-65.5177.3-173.800109.7K37 L59 I60E35-K37 WeakPolarHBondContact OE2-CE 3.43Å; E35-K37 IonicContact OE2-NZ 3.54Å; E35-K37 PolarHBondContact OE2-NZ 3.46Å; E35-L59 WeakPolarHBondContact O-CA 3.46Å; E35-I60 HydrophobicContact CB-CG2 4.15Å; E35-I60 PolarHBondContact N-O 3.09Å; E35-I60 PolarHBondContact O-N 3.3Å
36T98Very high91.7Very high64 Ų6476.9 Ų76.939%0.39337%0.372SS..EExtended strand (participates in β ladder)trans-80.3124168.3-54.30000109.6Y38 R57 L59T36-Y38 HydrophobicContact CG2-CE2 4.27Å; T36-R57 HydrophobicContact CG2-CG 3.84Å; T36-L59 HydrophobicContact CG2-CD2 4.18Å
37K98.2Very high93.2Very high54 Ų5473 Ų7324%0.23535%0.351CS..EExtended strand (participates in β ladder)trans-130.9171177.2-68.7-169.5-177.7165.30110.6E35 R57 Y58 I60 Y150E35-K37 WeakPolarHBondContact OE2-CE 3.43Å; E35-K37 IonicContact OE2-NZ 3.54Å; E35-K37 PolarHBondContact OE2-NZ 3.46Å; K37-R57 WeakPolarHBondContact O-CA 3.49Å; K37-Y58 HydrophobicContact CB-CD1 4.14Å; K37-Y58 HydrophobicContact CB-CD2 4.33Å; K37-Y58 HydrophobicContact CB-CE1 3.5Å; K37-Y58 HydrophobicContact CB-CE2 3.73Å; K37-Y58 WeakPolarHBondContact CB-OH 3.32Å; K37-Y58 HydrophobicContact CD-CE2 4.32Å; K37-Y58 WeakPolarHBondContact CD-OH 3.34Å; K37-Y58 HydrophobicContact CG-CE2 4.48Å; K37-Y58 PolarHBondContact N-O 3.32Å; K37-Y58 PolarHBondContact O-N 3.06Å; K37-Y58 VanDerWaalsContact O-O 3.08Å; K37-I60 HydrophobicContact CD-CG2 3.84Å; K37-I60 HydrophobicContact CG-CG2 4.23Å; K37-Y150 PolarHBondContact NZ-OH 2.72Å; K37-Y150 VanDerWaalsContact NZ-OH 3.09Å
38Y98.2Very high94.1Very high121 Ų12177 Ų7748%0.47537%0.365SS..EExtended strand (participates in β ladder)trans-133.7147.8-179-58.2-90.8000110.5T36 L55 I56 R57T36-Y38 HydrophobicContact CG2-CE2 4.27Å; Y38-L55 HydrophobicContact CD1-CB 4.31Å; Y38-I56 CarbonylContact C-O 3.49Å; Y38-I56 VanDerWaalsContact CA-O 3.3Å; Y38-I56 WeakPolarHBondContact CA-O 3.31Å; Y38-R57 HydrophobicContact CD1-CB 4.06Å; Y38-R57 HydrophobicContact CE1-CB 3.85Å; Y38-R57 HydrophobicContact CE1-CG 4.05Å
39F96.9Very high94.9Very high3 Ų376.7 Ų76.71%0.01337%0.374CS..EExtended strand (participates in β ladder)trans-129.9140.2174.490.9-92.4000111T41 L55 I56 Y58 D138 L142F39-T41 VanDerWaalsContact CE2-CB 3.46Å; F39-T41 HydrophobicContact CE2-CG2 4.3Å; F39-T41 HydrophobicContact CZ-CG2 4.45Å; F39-L55 WeakPolarHBondContact O-CA 3.26Å; F39-I56 HydrophobicContact CD1-CB 3.63Å; F39-I56 HydrophobicContact CD1-CG2 3.88Å; F39-I56 HydrophobicContact CE1-CB 3.28Å; F39-I56 HydrophobicContact CE1-CD1 3.87Å; F39-I56 HydrophobicContact CE1-CG1 4.09Å; F39-I56 HydrophobicContact CE1-CG2 3.37Å; F39-I56 HydrophobicContact CZ-CB 3.95Å; F39-I56 HydrophobicContact CZ-CD1 3.73Å; F39-I56 HydrophobicContact CZ-CG1 4.3Å; F39-I56 HydrophobicContact CZ-CG2 4.3Å; F39-I56 PolarHBondContact N-O 3.09Å; F39-I56 PolarHBondContact O-N 2.85Å; F39-Y58 HydrophobicContact CB-CD1 4.42Å; F39-Y58 HydrophobicContact CB-CE1 4.12Å; F39-Y58 HydrophobicContact CD1-CD1 4.27Å; F39-D138 HydrophobicContact CZ-CB 4.05Å; F39-D138 WeakPolarHBondContact CZ-O 3.36Å; F39-L142 HydrophobicContact CB-CD1 3.93Å; F39-L142 HydrophobicContact CD1-CB 3.98Å; F39-L142 HydrophobicContact CD1-CD1 3.67Å; F39-L142 HydrophobicContact CD1-CD2 3.92Å; F39-L142 HydrophobicContact CD1-CG 4.05Å; F39-L142 HydrophobicContact CD2-CB 4.38Å; F39-L142 HydrophobicContact CE1-CB 3.66Å; F39-L142 HydrophobicContact CE1-CD1 4.24Å; F39-L142 HydrophobicContact CE1-CD2 3.84Å; F39-L142 HydrophobicContact CE1-CG 4.11Å; F39-L142 HydrophobicContact CE2-CB 4.13Å; F39-L142 HydrophobicContact CG-CB 4.31Å; F39-L142 HydrophobicContact CG-CD1 3.83Å; F39-L142 HydrophobicContact CZ-CB 3.78Å
40W97.9Very high95.6Very high162 Ų16275.6 Ų75.661%0.61437%0.368SS*.EExtended strand (participates in β ladder)trans-81.4128.1177.3-78.7104.2000110.3K53 F54 L55W40-K53 HydrophobicContact CE3-CB 3.75Å; W40-K53 HydrophobicContact CZ3-CB 4.03Å; W40-F54 WeakPolarHBondContact CA-O 3.47Å; W40-L55 HydrophobicContact CB-CD2 4.45Å; W40-L55 HydrophobicContact CD2-CD2 3.5Å; W40-L55 HydrophobicContact CD2-CG 4.04Å; W40-L55 VanDerWaalsContact CE2-CD2 3.49Å; W40-L55 HydrophobicContact CE3-CD2 4.1Å; W40-L55 HydrophobicContact CE3-CG 4.19Å; W40-L55 HydrophobicContact CG-CD2 3.64Å; W40-L55 HydrophobicContact CH2-CG 4.21Å; W40-L55 HydrophobicContact CZ2-CD1 4.25Å; W40-L55 HydrophobicContact CZ2-CD2 4.09Å; W40-L55 HydrophobicContact CZ2-CG 4.03Å; W40-L55 HydrophobicContact CZ3-CG 4.29Å
41T98Very high96.2Very high6 Ų676.5 Ų76.54%0.03737%0.366CS..EExtended strand (participates in β ladder)trans-134165.9175.1-162.60000110.7F39 H45 K53 F54 I56 D138F39-T41 VanDerWaalsContact CE2-CB 3.46Å; F39-T41 HydrophobicContact CE2-CG2 4.3Å; F39-T41 HydrophobicContact CZ-CG2 4.45Å; T41-H45 PolarHBondContact OG1-CE1 2.94Å; T41-H45 PolarHBondContact OG1-NE2 2.86Å; T41-K53 WeakPolarHBondContact O-CA 3.33Å; T41-K53 VanDerWaalsContact O-CB 3.26Å; T41-K53 WeakPolarHBondContact O-CB 3.27Å; T41-F54 HydrophobicContact CG2-CD1 3.69Å; T41-F54 HydrophobicContact CG2-CE1 3.2Å; T41-F54 HydrophobicContact CG2-CE2 4.39Å; T41-F54 HydrophobicContact CG2-CG 4.45Å; T41-F54 HydrophobicContact CG2-CZ 3.6Å; T41-F54 PolarHBondContact N-O 2.91Å; T41-F54 PolarHBondContact O-N 3.33Å; T41-I56 HydrophobicContact CG2-CD1 3.74Å; T41-I56 HydrophobicContact CG2-CG1 4.03Å; T41-D138 WeakPolarHBondContact CG2-OD1 3.35Å; T41-D138 PolarHBondContact OG1-OD1 3.15Å
42R97.9Very high96.8Very high127 Ų12775 Ų7548%0.47936%0.356SS..EExtended strand (participates in β ladder)trans-78.2146.1173.4-69.5-177.3178137.9-0.9110.2D44 R108R42-D44 VanDerWaalsContact C-N 3.28Å; R42-R108 PolarHBondContact O-NH2 2.99Å
43V98.4Very high97Very high0 Ų080.5 Ų80.50%038%0.379CS..SBendtrans-61.2-42.5168.5173.90000110.2E52 F54 R108 P115 F116 Y129V43-E52 HydrophobicContact CB-CB 4.44Å; V43-E52 HydrophobicContact CG2-CB 3.81Å; V43-E52 WeakPolarHBondContact CG2-O 3.41Å; V43-E52 PolarHBondContact N-O 2.96Å; V43-F54 HydrophobicContact CG2-CD1 3.98Å; V43-R108 PolarHBondContact O-NH1 3.07Å; V43-P115 HydrophobicContact CG1-CB 4.45Å; V43-P115 HydrophobicContact CG2-CB 4.22Å; V43-F116 HydrophobicContact CG1-CE2 3.98Å; V43-F116 HydrophobicContact CG1-CZ 3.63Å; V43-F116 HydrophobicContact CG2-CZ 4.46Å; V43-Y129 HydrophobicContact CG1-CD1 4.11Å; 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 3.57Å; V43-Y129 HydrophobicContact CG1-CG 3.71Å
44D98.4Very high97.3Very high20 Ų2077.9 Ų77.911%0.10736%0.363CS..  trans-120.5119179-161.9-14000112.1R42 F46 S47 N50 Y129 Q134R42-D44 VanDerWaalsContact C-N 3.28Å; D44-F46 PolarHBondContact OD1-N 3.34Å; D44-S47 PolarHBondContact OD1-N 3.28Å; D44-S47 VanDerWaalsContact OD1-N 3.12Å; D44-S47 WeakPolarHBondContact OD2-CB 3.47Å; D44-N50 HydrophobicContact CB-CB 4.26Å; D44-Y129 HydrophobicContact CB-CD1 3.93Å; D44-Y129 HydrophobicContact CB-CE1 3.66Å; D44-Y129 WeakPolarHBondContact OD2-CE1 3.47Å; D44-Q134 PolarHBondContact OD1-NE2 2.98Å
45H98.2Very high97.4Very high39 Ų3978.9 Ų78.918%0.18137%0.37CS..SBendtrans-86.7-19.1173.6-65.2-58.4000113.9T41 R108 Q134 A137 D138 L141T41-H45 PolarHBondContact OG1-CE1 2.94Å; T41-H45 PolarHBondContact OG1-NE2 2.86Å; H45-R108 PolarHBondContact CD2-NH2 2.7Å; H45-R108 PolarHBondContact NE2-NH2 2.8Å; H45-Q134 PolarHBondContact CD2-O 2.64Å; H45-Q134 PolarHBondContact CD2-OE1 2.89Å; H45-A137 HydrophobicContact CB-CB 4.01Å; H45-A137 VanDerWaalsContact CD2-CB 3.5Å; H45-A137 WeakPolarHBondContact CD2-CB 3.45Å; H45-D138 IonicContact CD2-OD1 3.92Å; H45-D138 IonicContact CE1-OD1 3.02Å; H45-D138 IonicContact NE2-OD1 2.67Å; H45-D138 PolarHBondContact NE2-OD1 3.14Å; H45-L141 WeakPolarHBondContact CE1-CD1 3.45Å
46F97.7Very high97.4Very high120 Ų12073.3 Ų73.353%0.52635%0.345SS..SBendtrans-112.4-6.6-167-55.3-68.4000113.5D44 E133 Q134 A137D44-F46 PolarHBondContact OD1-N 3.34Å; F46-E133 HydrophobicContact CE2-CB 3.71Å; F46-E133 HydrophobicContact CZ-CB 3.69Å; F46-E133 WeakPolarHBondContact CZ-O 3.49Å; F46-Q134 HydrophobicContact CD2-CG 4.03Å; F46-Q134 HydrophobicContact CE2-CB 4.37Å; F46-Q134 HydrophobicContact CE2-CG 3.86Å; F46-A137 HydrophobicContact CZ-CB 4.29Å
47S97Very high97.5Very high45 Ų4571.4 Ų71.432%0.31533%0.33SS..  trans-128.2148.7168.4-1690000111.4D44 V49D44-S47 PolarHBondContact OD1-N 3.28Å; D44-S47 VanDerWaalsContact OD1-N 3.12Å; D44-S47 WeakPolarHBondContact OD2-CB 3.47Å; S47-V49 PolarHBondContact OG-N 3.37Å
48F95.6Very high97.5Very high191 Ų19169.3 Ų69.384%0.83832%0.321SS*.SBendtrans-93.20.1173.6-71.7-97.9000112.9
49V95.8Very high97.5Very high132 Ų13263.5 Ų63.580%0.830%0.298SS*.SBendtrans-74.2-38.8-177.5176.90000111.7S47S47-V49 PolarHBondContact OG-N 3.37Å
50N94.7Very high97.5Very high19 Ų1963.6 Ų63.610%0.10230%0.298CS..  trans-101.9112.4176.5-173.2-20.1000109.1D44 E52 Y129D44-N50 HydrophobicContact CB-CB 4.26Å; N50-E52 WeakPolarHBondContact OD1-CB 3.33Å; N50-E52 WeakPolarHBondContact OD1-CG 3.4Å; N50-E52 PolarHBondContact OD1-N 2.97Å; N50-Y129 PolarHBondContact ND2-OH 3.48Å
51D94.3Very high97.5Very high131 Ų13156.5 Ų56.570%0.70127%0.272SS*.  trans-102.85.9177.769.9-23.6000113.6
52E97.5Very high97.4Very high102 Ų10258.6 Ų58.648%0.47728%0.284SS..  trans-58.7150.1175.2-63.9-177.8-123.900110.9V43 N50V43-E52 HydrophobicContact CB-CB 4.44Å; V43-E52 HydrophobicContact CG2-CB 3.81Å; V43-E52 WeakPolarHBondContact CG2-O 3.41Å; V43-E52 PolarHBondContact N-O 2.96Å; N50-E52 WeakPolarHBondContact OD1-CB 3.33Å; N50-E52 WeakPolarHBondContact OD1-CG 3.4Å; N50-E52 PolarHBondContact OD1-N 2.97Å
53K98Very high97.2Very high130 Ų13059.7 Ų59.757%0.56529%0.294SS*.EExtended strand (participates in β ladder)trans-128.2153.3-179.7-63.3-175.7-178.4177.50110.3W40 T41W40-K53 HydrophobicContact CE3-CB 3.75Å; W40-K53 HydrophobicContact CZ3-CB 4.03Å; T41-K53 WeakPolarHBondContact O-CA 3.33Å; T41-K53 VanDerWaalsContact O-CB 3.26Å; T41-K53 WeakPolarHBondContact O-CB 3.27Å
54F98.4Very high97Very high9 Ų961.3 Ų61.34%0.03931%0.306CS..EExtended strand (participates in β ladder)trans-142.1170.2174.376.4-71.4000110.6W40 T41 V43 I56 R108 P115W40-F54 WeakPolarHBondContact CA-O 3.47Å; T41-F54 HydrophobicContact CG2-CD1 3.69Å; T41-F54 HydrophobicContact CG2-CE1 3.2Å; T41-F54 HydrophobicContact CG2-CE2 4.39Å; T41-F54 HydrophobicContact CG2-CG 4.45Å; T41-F54 HydrophobicContact CG2-CZ 3.6Å; T41-F54 PolarHBondContact N-O 2.91Å; T41-F54 PolarHBondContact O-N 3.33Å; V43-F54 HydrophobicContact CG2-CD1 3.98Å; F54-I56 HydrophobicContact CD2-CG1 4.22Å; F54-I56 HydrophobicContact CE2-CD1 4.03Å; F54-I56 HydrophobicContact CE2-CG1 3.37Å; F54-I56 HydrophobicContact CZ-CD1 3.73Å; F54-I56 HydrophobicContact CZ-CG1 3.6Å; F54-R108 HydrophobicContact CE2-CB 4.23Å; F54-R108 HydrophobicContact CZ-CB 3.87Å; F54-P115 HydrophobicContact CD1-CB 4.11Å; F54-P115 HydrophobicContact CD1-CG 4.22Å; F54-P115 HydrophobicContact CD2-CB 4.22Å; F54-P115 HydrophobicContact CD2-CG 3.94Å; F54-P115 HydrophobicContact CE1-CB 4.33Å; F54-P115 HydrophobicContact CE1-CG 4Å; F54-P115 HydrophobicContact CE2-CB 4.44Å; F54-P115 HydrophobicContact CE2-CG 3.7Å; F54-P115 HydrophobicContact CG-CB 4.06Å; F54-P115 HydrophobicContact CG-CG 4.2Å; F54-P115 HydrophobicContact CZ-CG 3.75Å
55L98.3Very high96.9Very high65 Ų6561.7 Ų61.734%0.3431%0.306SS..EExtended strand (participates in β ladder)trans-96.7129.8176.9-71.3172.6000110Y38 F39 W40Y38-L55 HydrophobicContact CD1-CB 4.31Å; F39-L55 WeakPolarHBondContact O-CA 3.26Å; W40-L55 HydrophobicContact CB-CD2 4.45Å; W40-L55 HydrophobicContact CD2-CD2 3.5Å; W40-L55 HydrophobicContact CD2-CG 4.04Å; W40-L55 VanDerWaalsContact CE2-CD2 3.49Å; W40-L55 HydrophobicContact CE3-CD2 4.1Å; W40-L55 HydrophobicContact CE3-CG 4.19Å; W40-L55 HydrophobicContact CG-CD2 3.64Å; W40-L55 HydrophobicContact CH2-CG 4.21Å; W40-L55 HydrophobicContact CZ2-CD1 4.25Å; W40-L55 HydrophobicContact CZ2-CD2 4.09Å; W40-L55 HydrophobicContact CZ2-CG 4.03Å; W40-L55 HydrophobicContact CZ3-CG 4.29Å
56I98.5Very high96.7Very high0 Ų062.7 Ų62.70%032%0.315CS..EExtended strand (participates in β ladder)trans-100.1132.1163.6-70.4177.4000108.7Y38 F39 T41 F54 E106 D138Y38-I56 CarbonylContact C-O 3.49Å; Y38-I56 VanDerWaalsContact CA-O 3.3Å; Y38-I56 WeakPolarHBondContact CA-O 3.31Å; F39-I56 HydrophobicContact CD1-CB 3.63Å; F39-I56 HydrophobicContact CD1-CG2 3.88Å; F39-I56 HydrophobicContact CE1-CB 3.28Å; F39-I56 HydrophobicContact CE1-CD1 3.87Å; F39-I56 HydrophobicContact CE1-CG1 4.09Å; F39-I56 HydrophobicContact CE1-CG2 3.37Å; F39-I56 HydrophobicContact CZ-CB 3.95Å; F39-I56 HydrophobicContact CZ-CD1 3.73Å; F39-I56 HydrophobicContact CZ-CG1 4.3Å; F39-I56 HydrophobicContact CZ-CG2 4.3Å; F39-I56 PolarHBondContact N-O 3.09Å; F39-I56 PolarHBondContact O-N 2.85Å; T41-I56 HydrophobicContact CG2-CD1 3.74Å; T41-I56 HydrophobicContact CG2-CG1 4.03Å; F54-I56 HydrophobicContact CD2-CG1 4.22Å; F54-I56 HydrophobicContact CE2-CD1 4.03Å; F54-I56 HydrophobicContact CE2-CG1 3.37Å; F54-I56 HydrophobicContact CZ-CD1 3.73Å; F54-I56 HydrophobicContact CZ-CG1 3.6Å; I56-E106 HydrophobicContact CG2-CB 4.47Å; I56-E106 VanDerWaalsContact CG2-O 3.25Å; I56-E106 WeakPolarHBondContact CG2-O 3.16Å; I56-D138 HydrophobicContact CD1-CB 3.54Å; I56-D138 VanDerWaalsContact CD1-OD2 3.27Å; I56-D138 WeakPolarHBondContact CD1-OD2 3.35Å
57R98.7Very high96.3Very high24 Ų2462.2 Ų62.29%0.09132%0.324CS..EExtended strand (participates in β ladder)trans-74.5140.7173.3-178167.161.71700.7110.1T36 K37 Y38 I81 E82 E106 T112 S113T36-R57 HydrophobicContact CG2-CG 3.84Å; K37-R57 WeakPolarHBondContact O-CA 3.49Å; Y38-R57 HydrophobicContact CD1-CB 4.06Å; Y38-R57 HydrophobicContact CE1-CB 3.85Å; Y38-R57 HydrophobicContact CE1-CG 4.05Å; R57-I81 HydrophobicContact CG-CG2 4.29Å; R57-E82 VanDerWaalsContact CZ-CD 3.49Å; R57-E82 IonicContact CZ-OE1 3.99Å; R57-E82 IonicContact CZ-OE2 3.51Å; R57-E82 IonicContact NE-OE1 3.42Å; R57-E82 IonicContact NE-OE2 3.7Å; R57-E82 VanDerWaalsContact NH1-CD 3.32Å; R57-E82 IonicContact NH1-OE1 2.65Å; R57-E82 PolarHBondContact NH1-OE1 3.18Å; R57-E82 IonicContact NH1-OE2 2.72Å; R57-E82 PolarHBondContact NH1-OE2 2.88Å; R57-E82 IonicContact NH2-OE1 3.47Å; R57-E82 IonicContact NH2-OE2 3.44Å; R57-E82 PolarHBondContact NH2-OE2 2.64Å; R57-E106 HydrophobicContact CB-CB 4.15Å; R57-E106 IonicContact CZ-OE1 3.52Å; R57-E106 VanDerWaalsContact CZ-OE1 3.25Å; R57-E106 IonicContact CZ-OE2 2.81Å; R57-E106 IonicContact NE-OE1 2.78Å; R57-E106 PolarHBondContact NE-OE1 3.47Å; R57-E106 VanDerWaalsContact NE-OE1 3.09Å; R57-E106 IonicContact NE-OE2 2.68Å; R57-E106 PolarHBondContact NE-OE2 2.99Å; R57-E106 IonicContact NH2-OE1 3.77Å; R57-E106 PolarHBondContact NH2-OE1 2.92Å; R57-E106 IonicContact NH2-OE2 3.37Å; R57-E106 WeakPolarHBondContact O-CB 3.17Å; R57-E106 PolarHBondContact O-N 3.28Å; R57-T112 WeakPolarHBondContact CD-OG1 3.47Å; R57-T112 VanDerWaalsContact CZ-OG1 3.29Å; R57-T112 PolarHBondContact NE-OG1 3.13Å; R57-S113 PolarHBondContact N-OG 3.47Å
58Y98.7Very high95.7Very high9 Ų961.7 Ų61.74%0.03533%0.326CS..EExtended strand (participates in β ladder)trans-144.3153.916770.4-83.4000110.3K37 F39 I60 V103 F104 L142 L146K37-Y58 HydrophobicContact CB-CD1 4.14Å; K37-Y58 HydrophobicContact CB-CD2 4.33Å; K37-Y58 HydrophobicContact CB-CE1 3.5Å; K37-Y58 HydrophobicContact CB-CE2 3.73Å; K37-Y58 WeakPolarHBondContact CB-OH 3.32Å; K37-Y58 HydrophobicContact CD-CE2 4.32Å; K37-Y58 WeakPolarHBondContact CD-OH 3.34Å; K37-Y58 HydrophobicContact CG-CE2 4.48Å; K37-Y58 PolarHBondContact N-O 3.32Å; K37-Y58 PolarHBondContact O-N 3.06Å; K37-Y58 VanDerWaalsContact O-O 3.08Å; F39-Y58 HydrophobicContact CB-CD1 4.42Å; F39-Y58 HydrophobicContact CB-CE1 4.12Å; F39-Y58 HydrophobicContact CD1-CD1 4.27Å; Y58-I60 HydrophobicContact CD2-CB 4.19Å; Y58-I60 HydrophobicContact CE2-CB 3.96Å; Y58-I60 HydrophobicContact CE2-CD1 4.4Å; Y58-I60 HydrophobicContact CE2-CG2 3.99Å; Y58-V103 HydrophobicContact CD2-CG1 4.17Å; Y58-F104 CarbonylContact C-O 3.17Å; Y58-F104 WeakPolarHBondContact CA-O 3.34Å; Y58-F104 WeakPolarHBondContact CB-O 3.16Å; Y58-L142 HydrophobicContact CD1-CD1 3.89Å; Y58-L142 HydrophobicContact CD1-CD2 4.26Å; Y58-L142 HydrophobicContact CE1-CD1 3.89Å; Y58-L142 HydrophobicContact CG-CD1 4.22Å; Y58-L142 HydrophobicContact CG-CD2 4.02Å; Y58-L146 HydrophobicContact CE2-CD2 4.03Å
59L98.4Very high95.7Very high0 Ų052.9 Ų52.90%029%0.289CS..EExtended strand (participates in β ladder)trans-104.8138.4174.6-45.4177000108.1Y34 E35 T36 I81 E82 A85 V103 F104Y34-L59 HydrophobicContact CD2-CB 3.93Å; Y34-L59 HydrophobicContact CD2-CD1 3.92Å; 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 3.77Å; Y34-L59 HydrophobicContact CE2-CD2 3.9Å; Y34-L59 HydrophobicContact CE2-CG 4.29Å; Y34-L59 HydrophobicContact CG-CB 4.12Å; Y34-L59 HydrophobicContact CG-CD1 4.33Å; E35-L59 WeakPolarHBondContact O-CA 3.46Å; T36-L59 HydrophobicContact CG2-CD2 4.18Å; L59-I81 HydrophobicContact CD1-CG1 4.48Å; L59-I81 HydrophobicContact CD1-CG2 4.1Å; L59-I81 HydrophobicContact CD2-CG2 4.2Å; L59-I81 HydrophobicContact CG-CG1 4.48Å; L59-I81 HydrophobicContact CG-CG2 3.96Å; L59-E82 HydrophobicContact CD1-CG 4.24Å; L59-A85 HydrophobicContact CD1-CB 3.62Å; L59-V103 CarbonylContact O-C 3.28Å; L59-V103 VanDerWaalsContact O-CA 3.27Å; L59-V103 WeakPolarHBondContact O-CA 3.41Å; L59-F104 HydrophobicContact CB-CB 4.19Å; L59-F104 HydrophobicContact CD1-CB 4.35Å; L59-F104 HydrophobicContact CG-CB 4.4Å; L59-F104 PolarHBondContact N-O 2.95Å; L59-F104 PolarHBondContact O-N 2.89Å
60I98.1Very high95.8Very high4 Ų446.7 Ų46.72%0.02125%0.252CS..EExtended strand (participates in β ladder)trans-135.1137.7178.5-172.7167.2000111.8Y34 E35 K37 Y58 N62 V102 V103 L146 Y150 F153Y34-I60 WeakPolarHBondContact CA-O 3.36Å; E35-I60 HydrophobicContact CB-CG2 4.15Å; E35-I60 PolarHBondContact N-O 3.09Å; E35-I60 PolarHBondContact O-N 3.3Å; K37-I60 HydrophobicContact CD-CG2 3.84Å; K37-I60 HydrophobicContact CG-CG2 4.23Å; Y58-I60 HydrophobicContact CD2-CB 4.19Å; Y58-I60 HydrophobicContact CE2-CB 3.96Å; Y58-I60 HydrophobicContact CE2-CD1 4.4Å; Y58-I60 HydrophobicContact CE2-CG2 3.99Å; I60-N62 WeakPolarHBondContact CG1-OD1 3.16Å; I60-V102 CarbonylContact C-O 3.59Å; I60-V102 VanDerWaalsContact CA-O 3.31Å; I60-V102 WeakPolarHBondContact CA-O 3.33Å; I60-V103 HydrophobicContact CD1-CG2 4.2Å; I60-V103 HydrophobicContact CG1-CG2 4.11Å; I60-L146 HydrophobicContact CD1-CD2 4.12Å; I60-Y150 HydrophobicContact CD1-CE2 4.33Å; I60-F153 HydrophobicContact CD1-CE2 4.41Å
61N97.3Very high96Very high13 Ų1345.8 Ų45.87%0.0725%0.247CC..EExtended strand (participates in β ladder)trans-130.3126.6165.9-177.9-64.6000109.5T33 E63 W92 S101 V102T33-N61 WeakPolarHBondContact O-CB 3.3Å; T33-N61 PolarHBondContact O-ND2 3.27Å; T33-N61 PolarHBondContact OG1-ND2 3.45Å; N61-E63 PolarHBondContact ND2-OE2 2.89Å; N61-E63 PolarHBondContact OD1-N 3.04Å; N61-W92 HydrophobicContact CB-CH2 4.49Å; N61-W92 HydrophobicContact CB-CZ3 3.76Å; N61-S101 WeakPolarHBondContact O-CA 3.4Å; N61-S101 PolarHBondContact O-OG 2.89Å; N61-V102 HydrophobicContact CB-CB 4.46Å; N61-V102 PolarHBondContact N-O 3.45Å; N61-V102 PolarHBondContact O-N 2.98Å
62N95.4Very high96.2Very high51 Ų5139.6 Ų39.627%0.27321%0.213SC..  trans-118.58.2179-65.8-18000112.7I60 S64 F65 S101 F153I60-N62 WeakPolarHBondContact CG1-OD1 3.16Å; N62-S64 VanDerWaalsContact C-N 3.27Å; N62-S64 PolarHBondContact O-N 3.34Å; N62-F65 HydrophobicContact CB-CB 4.43Å; N62-F65 WeakPolarHBondContact O-CB 3.45Å; N62-F65 PolarHBondContact O-N 2.98Å; N62-F65 VanDerWaalsContact O-N 3.07Å; N62-S101 WeakPolarHBondContact OD1-CB 3.15Å; N62-S101 PolarHBondContact OD1-OG 3.48Å; N62-F153 WeakPolarHBondContact OD1-CZ 3.49Å
63E94.4Very high96.2Very high150 Ų15034.7 Ų34.770%0.70119%0.191SC*.THydrogen-bonded Turntrans-63.1-34.7-172-66.1178.3155.500112T33 N61T33-E63 PolarHBondContact OG1-OE2 2.92Å; N61-E63 PolarHBondContact ND2-OE2 2.89Å; N61-E63 PolarHBondContact OD1-N 3.04Å
64S94Very high96.3Very high34 Ų3428.7 Ų28.724%0.23816%0.164CC..THydrogen-bonded Turntrans-90-4.1177.3-59.70000113.9N62 R96 N99N62-S64 VanDerWaalsContact C-N 3.27Å; N62-S64 PolarHBondContact O-N 3.34Å; S64-R96 WeakPolarHBondContact OG-CG 3.49Å; S64-N99 CarbonylContact O-C 3.58Å; S64-N99 VanDerWaalsContact O-C 3.28Å; S64-N99 WeakPolarHBondContact O-CA 3.4Å
65F96.8Very high96.3Very high28 Ų2828.3 Ų28.312%0.12316%0.163CC..  trans-75.2135.8-169.7178.5-95000112.5N62 G69 N99 C152 F153N62-F65 HydrophobicContact CB-CB 4.43Å; N62-F65 WeakPolarHBondContact O-CB 3.45Å; N62-F65 PolarHBondContact O-N 2.98Å; N62-F65 VanDerWaalsContact O-N 3.07Å; F65-G69 WeakPolarHBondContact CE2-O 3.47Å; F65-N99 WeakPolarHBondContact CA-O 3.39Å; F65-C152 HydrophobicContact CE1-CB 3.8Å; F65-C152 HydrophobicContact CZ-CB 4.49Å; F65-C152 WeakPolarHBondContact CZ-O 3.38Å; F65-F153 HydrophobicContact CD1-CD1 4.35Å; F65-F153 AromaticContact CD1-CE1 3.78Å; F65-F153 HydrophobicContact CD1-CE1 3.78Å; F65-F153 HydrophobicContact CD2-CD1 4.42Å; F65-F153 AromaticContact CD2-CE1 3.83Å; F65-F153 HydrophobicContact CD2-CE1 3.83Å; F65-F153 AromaticContact CE1-CD1 3.76Å; F65-F153 HydrophobicContact CE1-CD1 3.76Å; F65-F153 AromaticContact CE1-CE1 3.66Å; F65-F153 HydrophobicContact CE1-CE1 3.66Å; F65-F153 AromaticContact CE2-CD1 3.79Å; F65-F153 HydrophobicContact CE2-CD1 3.79Å; F65-F153 AromaticContact CE2-CE1 3.67Å; F65-F153 HydrophobicContact CE2-CE1 3.67Å; F65-F153 AromaticContact CG-CE1 3.86Å; F65-F153 HydrophobicContact CG-CE1 3.86Å; 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 3.59Å; F65-F153 HydrophobicContact CZ-CE1 3.59Å
66T93.3Very high96.3Very high59 Ų5925.2 Ų25.236%0.36215%0.147SC..  trans-127.1151.3168.464.40000111G68 G69 N99T66-G68 PolarHBondContact O-N 3.08Å; T66-G69 WeakPolarHBondContact O-CA 3.49Å; T66-G69 PolarHBondContact O-N 3.03Å; T66-N99 HydrophobicContact CG2-CB 4.05Å; T66-N99 PolarHBondContact N-O 3.38Å; T66-N99 WeakPolarHBondContact OG1-CB 3.48Å
67P88.6Confident96.2Very high111 Ų11125.3 Ų25.372%0.72115%0.147SC*.THydrogen-bonded Turntrans-52.3128177.8-27.635.4000112.7
68G85Confident95.9Very high34 Ų3424.3 Ų24.335%0.35114%0.144SC..THydrogen-bonded Turntrans92.7-10.4-173.900000114.6T66T66-G68 PolarHBondContact O-N 3.08Å
69G94.9Very high95.6Very high6 Ų624 Ų246%0.06214%0.143CC..PPolyproline II helixtrans-66.3156.2169.700000112.7F65 T66 S156F65-G69 WeakPolarHBondContact CE2-O 3.47Å; T66-G69 WeakPolarHBondContact O-CA 3.49Å; T66-G69 PolarHBondContact O-N 3.03Å; G69-S156 VanDerWaalsContact O-CB 3.27Å; G69-S156 WeakPolarHBondContact O-CB 3.3Å; G69-S156 PolarHBondContact O-OG 3.06Å
70P98Very high95.3Very high2 Ų225 Ų251%0.01315%0.15CC..PPolyproline II helixtrans-77.3166.3177.233.3-34.4000112.1L72 L98 A100 S101 P157 I159 I471P70-L72 HydrophobicContact CB-CD2 4.34Å; P70-L72 HydrophobicContact CG-CD2 4.03Å; P70-L98 WeakPolarHBondContact CD-O 3.25Å; P70-L98 HydrophobicContact CG-CB 4.27Å; P70-A100 HydrophobicContact CG-CB 3.61Å; P70-A100 VanDerWaalsContact O-CA 3.29Å; P70-A100 WeakPolarHBondContact O-CA 3.35Å; P70-A100 WeakPolarHBondContact O-CB 3.29Å; P70-S101 PolarHBondContact O-N 3.42Å; P70-P157 CarbonylContact C-O 3.56Å; P70-P157 VanDerWaalsContact CA-O 3.24Å; P70-P157 WeakPolarHBondContact CA-O 3.35Å; P70-P157 HydrophobicContact CB-CG 4.09Å; P70-I159 HydrophobicContact CB-CG1 4.38Å; P70-I471 HydrophobicContact CB-CD1 3.89Å; P70-I471 HydrophobicContact CB-CG1 4.12Å; P70-I471 HydrophobicContact CG-CD1 3.63Å; P70-I471 HydrophobicContact CG-CG1 4.4Å
71I98.7Very high95.1Very high0 Ų024.9 Ų24.90%015%0.149CC..EExtended strand (participates in β ladder)trans-99.9117159.8-56.9171.9000106.8F73 V103 F153 P157 V158 I159I71-F73 HydrophobicContact CG2-CB 4.46Å; I71-V103 HydrophobicContact CG2-CB 4.34Å; I71-V103 HydrophobicContact CG2-CG2 3.84Å; I71-F153 HydrophobicContact CD1-CB 4.16Å; I71-F153 HydrophobicContact CD1-CD2 3.84Å; I71-F153 HydrophobicContact CD1-CE2 4.37Å; I71-F153 HydrophobicContact CD1-CG 3.97Å; I71-F153 HydrophobicContact CG1-CD2 4.48Å; I71-F153 HydrophobicContact CG1-CG 4.45Å; I71-P157 PolarHBondContact N-O 3.29Å; I71-V158 HydrophobicContact CB-CG2 4.31Å; I71-V158 HydrophobicContact CD1-CG2 4.34Å; I71-V158 WeakPolarHBondContact O-CA 3.5Å; I71-I159 PolarHBondContact O-N 3.09Å
72L98.8Very high95Very high0 Ų026.3 Ų26.30%016%0.155CC..EExtended strand (participates in β ladder)trans-86.3107.6170.2-48.4-177000107.3P70 I91 L94 A100 S101 V103 I159 F161P70-L72 HydrophobicContact CB-CD2 4.34Å; P70-L72 HydrophobicContact CG-CD2 4.03Å; L72-I91 HydrophobicContact CB-CG2 3.85Å; L72-I91 HydrophobicContact CD1-CG2 3.98Å; L72-L94 HydrophobicContact CD1-CB 3.82Å; 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 3.38Å; L72-V103 PolarHBondContact O-N 3.27Å; L72-I159 HydrophobicContact CD2-CB 4.23Å; L72-I159 HydrophobicContact CD2-CG1 4.43Å; L72-F161 HydrophobicContact CB-CD2 4.31Å; L72-F161 HydrophobicContact CB-CE2 3.87Å; L72-F161 HydrophobicContact CD2-CE2 3.84Å; L72-F161 HydrophobicContact CD2-CZ 4.27Å; L72-F161 HydrophobicContact CG-CE2 4.29Å
73F98.9Very high94.8Very high0 Ų024 Ų240%014%0.143CC..EExtended strand (participates in β ladder)trans-111.1110.2-169.9-172-81.6000110.2I71 T75 V103 A105 Y139 L142 I143 V158 I159 A160 F161I71-F73 HydrophobicContact CG2-CB 4.46Å; F73-T75 HydrophobicContact CD1-CG2 4.06Å; F73-T75 HydrophobicContact CE1-CG2 4.08Å; F73-V103 CarbonylContact C-O 3.6Å; F73-V103 WeakPolarHBondContact CA-O 3.35Å; F73-V103 HydrophobicContact CD2-CB 3.93Å; F73-V103 HydrophobicContact CD2-CG1 3.75Å; F73-V103 HydrophobicContact CE2-CB 4.44Å; F73-V103 HydrophobicContact CE2-CG1 3.75Å; 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 4.07Å; F73-Y139 HydrophobicContact CE1-CD2 4.28Å; F73-Y139 AromaticContact CE1-CG 3.78Å; F73-Y139 HydrophobicContact CE1-CG 3.78Å; F73-Y139 AromaticContact CZ-CD1 3.96Å; F73-Y139 HydrophobicContact CZ-CD1 3.96Å; F73-Y139 AromaticContact CZ-CG 3.98Å; F73-Y139 HydrophobicContact CZ-CG 3.98Å; F73-L142 HydrophobicContact CE2-CD2 3.96Å; F73-L142 HydrophobicContact CE2-CG 4.29Å; F73-L142 HydrophobicContact CZ-CD2 4.18Å; F73-I143 HydrophobicContact CD1-CD1 4.44Å; F73-I143 HydrophobicContact CD2-CD1 4.08Å; F73-I143 HydrophobicContact CD2-CG1 3.69Å; F73-I143 HydrophobicContact CE1-CD1 4.49Å; F73-I143 HydrophobicContact CE2-CD1 4.12Å; F73-I143 HydrophobicContact CE2-CG1 3.63Å; F73-I143 HydrophobicContact CG-CD1 4.23Å; F73-I143 HydrophobicContact CG-CG1 4.33Å; F73-I143 HydrophobicContact CZ-CD1 4.32Å; F73-I143 HydrophobicContact CZ-CG1 4.23Å; F73-V158 HydrophobicContact CB-CG1 3.76Å; F73-V158 HydrophobicContact CG-CG1 4.46Å; F73-I159 PolarHBondContact N-O 3.4Å; F73-A160 CarbonylContact O-C 3.51Å; F73-A160 VanDerWaalsContact O-CA 3.28Å; F73-A160 WeakPolarHBondContact O-CA 3.45Å; F73-F161 PolarHBondContact O-N 3.3Å
74Y98.9Very high94.9Very high4 Ų417.3 Ų17.32%0.01611%0.111CC..EExtended strand (participates in β ladder)trans-82.1121.5172.7-165.3-84.2000110.4G76 I81 F84 S88 I91 V103 F104 A105 F161 G163 L445Y74-G76 PolarHBondContact O-N 2.99Å; Y74-I81 HydrophobicContact CD1-CD1 4.45Å; Y74-F84 HydrophobicContact CD1-CB 4.27Å; Y74-F84 HydrophobicContact CE1-CB 3.64Å; Y74-F84 HydrophobicContact CE1-CD2 4.36Å; Y74-F84 AromaticContact CE1-CG 3.93Å; Y74-F84 HydrophobicContact CE1-CG 3.93Å; Y74-S88 WeakPolarHBondContact CE2-OG 3.47Å; Y74-I91 HydrophobicContact CD2-CD1 3.59Å; Y74-I91 HydrophobicContact CE2-CD1 4.3Å; Y74-V103 PolarHBondContact N-O 2.98Å; Y74-F104 VanDerWaalsContact CB-CE1 3.44Å; Y74-F104 AromaticContact CD1-CD1 3.68Å; Y74-F104 HydrophobicContact CD1-CD1 3.68Å; Y74-F104 AromaticContact CD1-CE1 4Å; Y74-F104 HydrophobicContact CD1-CE1 4Å; Y74-F104 AromaticContact CD2-CD1 3.95Å; Y74-F104 HydrophobicContact CD2-CD1 3.95Å; Y74-F104 AromaticContact CD2-CE1 3.42Å; Y74-F104 HydrophobicContact CD2-CE1 3.42Å; Y74-F104 VanDerWaalsContact CD2-CE1 3.42Å; Y74-F104 HydrophobicContact CD2-CZ 4.22Å; Y74-F104 HydrophobicContact CE2-CE1 4.1Å; Y74-F104 AromaticContact CG-CD1 3.34Å; Y74-F104 HydrophobicContact CG-CD1 3.34Å; Y74-F104 AromaticContact CG-CE1 3.35Å; Y74-F104 HydrophobicContact CG-CE1 3.35Å; Y74-F104 HydrophobicContact CG-CG 4.29Å; Y74-F104 HydrophobicContact CG-CZ 4.33Å; Y74-A105 PolarHBondContact O-N 3.48Å; Y74-A105 VanDerWaalsContact O-N 3.13Å; Y74-F161 CarbonylContact C-O 3.5Å; Y74-F161 VanDerWaalsContact CA-O 3.26Å; Y74-F161 WeakPolarHBondContact CA-O 3.25Å; Y74-F161 HydrophobicContact CD2-CB 4.12Å; Y74-G163 PolarHBondContact OH-N 2.66Å; Y74-L445 HydrophobicContact CE2-CD1 4.36Å
75T98.9Very high95Very high0 Ų015.7 Ų15.70%010%0.1CC..EExtended strand (participates in β ladder)trans-81.491.8173.551.90000108.6F73 Y139 A160 F161 G166 S170 I173F73-T75 HydrophobicContact CD1-CG2 4.06Å; F73-T75 HydrophobicContact CE1-CG2 4.08Å; T75-Y139 HydrophobicContact CG2-CD2 3.78Å; T75-Y139 HydrophobicContact CG2-CE2 3.97Å; T75-A160 HydrophobicContact CG2-CB 4.48Å; T75-F161 PolarHBondContact N-O 2.79Å; T75-F161 PolarHBondContact OG1-O 3.42Å; T75-G166 WeakPolarHBondContact O-CA 3.31Å; T75-G166 PolarHBondContact OG1-O 3.28Å; T75-S170 PolarHBondContact OG1-N 3.17Å; T75-S170 PolarHBondContact OG1-OG 2.87Å; T75-I173 HydrophobicContact CG2-CD1 4.48Å; T75-I173 HydrophobicContact CG2-CG2 4.24Å
76G98.4Very high94.9Very high1 Ų115.2 Ų15.21%0.0110%0.098CC..  trans-53.9155.3179.900000112.5Y74 A105 Y139 L169Y74-G76 PolarHBondContact O-N 2.99Å; G76-A105 WeakPolarHBondContact CA-O 3.34Å; G76-A105 PolarHBondContact N-O 3.35Å; G76-Y139 PolarHBondContact N-OH 2.78Å; G76-Y139 PolarHBondContact O-OH 2.89Å; G76-L169 VanDerWaalsContact O-CD1 3.26Å; G76-L169 WeakPolarHBondContact O-CD1 3.45Å
77N95.4Very high95Very high2 Ų213.1 Ų13.11%0.0119%0.085CC..  trans-134.3-140.7-168.960.9-67.3000109.9G79 F84 H107 Y165 G166N77-G79 PolarHBondContact O-N 2.92Å; N77-F84 WeakPolarHBondContact ND2-CE1 3.3Å; N77-F84 WeakPolarHBondContact ND2-CZ 3.49Å; N77-F84 WeakPolarHBondContact OD1-CD1 3.48Å; N77-F84 WeakPolarHBondContact OD1-CE1 3.25Å; N77-F84 VanDerWaalsContact OD1-CE2 3.29Å; N77-F84 WeakPolarHBondContact OD1-CE2 3.26Å; N77-F84 WeakPolarHBondContact OD1-CZ 3.25Å; N77-H107 VanDerWaalsContact O-CB 3.24Å; N77-H107 WeakPolarHBondContact O-CB 3.38Å; N77-Y165 HydrophobicContact CB-CD1 3.76Å; N77-Y165 HydrophobicContact CB-CG 4.33Å; N77-G166 VanDerWaalsContact CB-N 3.34Å
78E93.4Very high95.4Very high3 Ų38 Ų81%0.0145%0.052CC..SBendtrans-80.548-165.368.5-71.6170.700115.1F15 W24 Y110 Y165 W344F15-E78 HydrophobicContact CD1-CG 3.89Å; F15-E78 WeakPolarHBondContact CD1-OE1 3.27Å; F15-E78 HydrophobicContact CE1-CG 3.76Å; F15-E78 WeakPolarHBondContact CE1-OE1 3.41Å; F15-E78 WeakPolarHBondContact CZ-OE1 3.3Å; W24-E78 HydrophobicContact CZ2-CG 4.31Å; W24-E78 PolarHBondContact NE1-O 3.17Å; E78-Y110 HydrophobicContact CB-CD1 4.29Å; E78-Y110 HydrophobicContact CB-CE1 3.58Å; E78-Y110 HydrophobicContact CB-CE2 4.48Å; E78-Y165 WeakPolarHBondContact OE2-CB 3.27Å; E78-Y165 WeakPolarHBondContact OE2-CD1 3.49Å; E78-W344 HydrophobicContact CB-CB 4.28Å; E78-W344 HydrophobicContact CB-CD2 4.17Å; E78-W344 HydrophobicContact CB-CE3 3.54Å; E78-W344 HydrophobicContact CB-CZ3 4.26Å; 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 4.31Å
79G91.3Very high96Very high1 Ų16.5 Ų6.51%0.014%0.036CC..SBendtrans-176.7-174.7178.400000114.7N77 I81 F84N77-G79 PolarHBondContact O-N 2.92Å; G79-I81 PolarHBondContact O-N 3.07Å; G79-F84 WeakPolarHBondContact O-CE2 3.45Å
80P91.9Very high96.1Very high23 Ų236.4 Ų6.415%0.1493%0.034CC..  trans-64.4130.4178.3-19.633.4000110.8E82 T83 D340P80-E82 PolarHBondContact O-N 3.3Å; P80-E82 VanDerWaalsContact O-N 3.15Å; P80-T83 WeakPolarHBondContact O-CB 3.35Å; P80-T83 PolarHBondContact O-N 3.48Å; P80-D340 WeakPolarHBondContact CD-OD2 3.28Å
81I95.6Very high96.1Very high0 Ų06.3 Ų6.30%03%0.033CC..Hα-helixtrans-61-29.8-173.8-165.454.9000113.8R57 L59 Y74 G79 T83 F84 A85 F104 A105 E106R57-I81 HydrophobicContact CG-CG2 4.29Å; L59-I81 HydrophobicContact CD1-CG1 4.48Å; L59-I81 HydrophobicContact CD1-CG2 4.1Å; L59-I81 HydrophobicContact CD2-CG2 4.2Å; L59-I81 HydrophobicContact CG-CG1 4.48Å; L59-I81 HydrophobicContact CG-CG2 3.96Å; Y74-I81 HydrophobicContact CD1-CD1 4.45Å; G79-I81 PolarHBondContact O-N 3.07Å; I81-T83 VanDerWaalsContact C-N 3.35Å; I81-T83 PolarHBondContact O-N 2.92Å; I81-F84 HydrophobicContact CD1-CD2 4.18Å; I81-F84 PolarHBondContact O-N 3.02Å; I81-A85 PolarHBondContact O-N 3.27Å; I81-A85 VanDerWaalsContact O-N 3.11Å; I81-F104 HydrophobicContact CD1-CB 3.82Å; I81-F104 HydrophobicContact CD1-CD1 4.36Å; I81-F104 HydrophobicContact CG1-CB 3.7Å; I81-A105 VanDerWaalsContact CD1-O 3.31Å; I81-A105 WeakPolarHBondContact CD1-O 3.42Å; I81-E106 HydrophobicContact CB-CB 3.76Å; I81-E106 HydrophobicContact CB-CG 4.05Å; I81-E106 WeakPolarHBondContact CB-OE1 3.31Å; I81-E106 HydrophobicContact CG1-CB 4.26Å; I81-E106 HydrophobicContact CG2-CB 4.04Å; I81-E106 HydrophobicContact CG2-CG 4.42Å; I81-E106 WeakPolarHBondContact CG2-OE1 3.13Å; I81-E106 PolarHBondContact N-OE1 3.29Å
82E94.4Very high96.1Very high44 Ų446.9 Ų6.921%0.2064%0.036CC..Hα-helixtrans-59.8-43.4175.3-65.185.8176.200111.5R57 L59 P80 F84 A85 E86R57-E82 VanDerWaalsContact CZ-CD 3.49Å; R57-E82 IonicContact CZ-OE1 3.99Å; R57-E82 IonicContact CZ-OE2 3.51Å; R57-E82 IonicContact NE-OE1 3.42Å; R57-E82 IonicContact NE-OE2 3.7Å; R57-E82 VanDerWaalsContact NH1-CD 3.32Å; R57-E82 IonicContact NH1-OE1 2.65Å; R57-E82 PolarHBondContact NH1-OE1 3.18Å; R57-E82 IonicContact NH1-OE2 2.72Å; R57-E82 PolarHBondContact NH1-OE2 2.88Å; R57-E82 IonicContact NH2-OE1 3.47Å; R57-E82 IonicContact NH2-OE2 3.44Å; R57-E82 PolarHBondContact NH2-OE2 2.64Å; L59-E82 HydrophobicContact CD1-CG 4.24Å; P80-E82 PolarHBondContact O-N 3.3Å; P80-E82 VanDerWaalsContact O-N 3.15Å; E82-F84 PolarHBondContact O-N 2.88Å; E82-A85 WeakPolarHBondContact O-CB 3.27Å; E82-A85 PolarHBondContact O-N 2.84Å; E82-E86 VanDerWaalsContact O-CG 3.29Å; E82-E86 WeakPolarHBondContact O-CG 3.32Å; E82-E86 PolarHBondContact O-N 2.91Å
83T92Very high96Very high2 Ų210.5 Ų10.51%0.0125%0.051CC..Hα-helixtrans-56.4-40.8-179.9-62.30000111.7W24 S25 P80 I81 N87 L281W24-T83 HydrophobicContact CB-CG2 4.2Å; W24-T83 HydrophobicContact CD2-CG2 4.4Å; W24-T83 HydrophobicContact CE3-CG2 3.94Å; S25-T83 WeakPolarHBondContact O-CG2 3.39Å; S25-T83 PolarHBondContact O-OG1 2.94Å; P80-T83 WeakPolarHBondContact O-CB 3.35Å; P80-T83 PolarHBondContact O-N 3.48Å; I81-T83 VanDerWaalsContact C-N 3.35Å; I81-T83 PolarHBondContact O-N 2.92Å; T83-N87 WeakPolarHBondContact O-CB 3.44Å; T83-N87 PolarHBondContact O-N 2.81Å; T83-N87 PolarHBondContact O-ND2 3.16Å; T83-L281 HydrophobicContact CG2-CD1 4.26Å
84F95.2Very high96Very high10 Ų1010.5 Ų10.54%0.0445%0.051CC..Hα-helixtrans-71.7-38.8178.1-54.6-57.6000112.3W24 Y74 N77 G79 I81 E82 N87 S88 F104W24-F84 HydrophobicContact CH2-CE1 4.22Å; W24-F84 HydrophobicContact CZ2-CE1 4.42Å; W24-F84 HydrophobicContact CZ2-CZ 4.38Å; Y74-F84 HydrophobicContact CD1-CB 4.27Å; Y74-F84 HydrophobicContact CE1-CB 3.64Å; Y74-F84 HydrophobicContact CE1-CD2 4.36Å; Y74-F84 AromaticContact CE1-CG 3.93Å; Y74-F84 HydrophobicContact CE1-CG 3.93Å; N77-F84 WeakPolarHBondContact ND2-CE1 3.3Å; N77-F84 WeakPolarHBondContact ND2-CZ 3.49Å; N77-F84 WeakPolarHBondContact OD1-CD1 3.48Å; N77-F84 WeakPolarHBondContact OD1-CE1 3.25Å; N77-F84 VanDerWaalsContact OD1-CE2 3.29Å; N77-F84 WeakPolarHBondContact OD1-CE2 3.26Å; N77-F84 WeakPolarHBondContact OD1-CZ 3.25Å; G79-F84 WeakPolarHBondContact O-CE2 3.45Å; I81-F84 HydrophobicContact CD1-CD2 4.18Å; I81-F84 PolarHBondContact O-N 3.02Å; E82-F84 PolarHBondContact O-N 2.88Å; F84-N87 PolarHBondContact O-N 3.49Å; F84-S88 WeakPolarHBondContact O-CB 3.31Å; F84-S88 PolarHBondContact O-N 2.69Å; F84-S88 PolarHBondContact O-OG 3.3Å; F84-F104 HydrophobicContact CB-CD1 4.46Å
85A96.6Very high95.9Very high0 Ų010.5 Ų10.50%05%0.052CC..Hα-helixtrans-59.7-44.8173.700000111.9Y34 L59 I81 E82 N87 W92 F104Y34-A85 HydrophobicContact CE1-CB 4.41Å; L59-A85 HydrophobicContact CD1-CB 3.62Å; I81-A85 PolarHBondContact O-N 3.27Å; I81-A85 VanDerWaalsContact O-N 3.11Å; E82-A85 WeakPolarHBondContact O-CB 3.27Å; E82-A85 PolarHBondContact O-N 2.84Å; A85-N87 VanDerWaalsContact C-N 3.29Å; A85-N87 PolarHBondContact O-N 2.96Å; A85-W92 HydrophobicContact CB-CZ2 4.1Å; A85-W92 PolarHBondContact O-NE1 2.88Å; A85-F104 VanDerWaalsContact CA-CE1 3.49Å; A85-F104 HydrophobicContact CB-CD1 4Å; A85-F104 HydrophobicContact CB-CD2 4.18Å; A85-F104 HydrophobicContact CB-CE1 4.17Å; A85-F104 HydrophobicContact CB-CE2 4.31Å; A85-F104 HydrophobicContact CB-CG 4.04Å; A85-F104 HydrophobicContact CB-CZ 4.33Å
86E95.1Very high95.8Very high17 Ų1718.5 Ų18.58%0.0798%0.082CC..Hα-helixtrans-71.6-21.1-179.1-59.4-53.2159.200113.8N29 F32 Y34 E82N29-E86 WeakPolarHBondContact CA-OE2 3.49Å; N29-E86 WeakPolarHBondContact CB-OE2 3.41Å; N29-E86 PolarHBondContact N-OE2 2.81Å; F32-E86 WeakPolarHBondContact CD2-OE2 3.31Å; Y34-E86 VanDerWaalsContact CE1-OE1 3.25Å; Y34-E86 WeakPolarHBondContact CE1-OE1 3.36Å; Y34-E86 PolarHBondContact OH-OE1 2.82Å; E82-E86 VanDerWaalsContact O-CG 3.29Å; E82-E86 WeakPolarHBondContact O-CG 3.32Å; E82-E86 PolarHBondContact O-N 2.91Å
87N94.8Very high95.7Very high15 Ų1522.4 Ų22.48%0.0810%0.1CC..Hα-helixtrans-106.5-2.6-178.5-77.8-85.7000114.5T83 F84 A85 L281 R446T83-N87 WeakPolarHBondContact O-CB 3.44Å; T83-N87 PolarHBondContact O-N 2.81Å; T83-N87 PolarHBondContact O-ND2 3.16Å; F84-N87 PolarHBondContact O-N 3.49Å; A85-N87 VanDerWaalsContact C-N 3.29Å; A85-N87 PolarHBondContact O-N 2.96Å; N87-L281 HydrophobicContact CB-CD1 3.96Å; N87-R446 WeakPolarHBondContact O-CA 3.21Å; N87-R446 PolarHBondContact OD1-NH1 3.29Å; N87-R446 PolarHBondContact OD1-NH2 2.71Å
88S97Very high95.8Very high4 Ų423.5 Ų23.53%0.02811%0.106CC..  trans-107.446.7-178.5-570000112.8Y74 F84 F90 I91 L445Y74-S88 WeakPolarHBondContact CE2-OG 3.47Å; F84-S88 WeakPolarHBondContact O-CB 3.31Å; F84-S88 PolarHBondContact O-N 2.69Å; F84-S88 PolarHBondContact O-OG 3.3Å; S88-F90 PolarHBondContact O-N 2.93Å; S88-I91 PolarHBondContact O-N 3.18Å; S88-I91 VanDerWaalsContact O-N 3.07Å; S88-L445 CarbonylContact C-O 3.32Å; S88-L445 WeakPolarHBondContact CA-O 3.3Å
89G97.1Very high96Very high2 Ų227.1 Ų27.12%0.02113%0.125CC..Hα-helixtrans-48.3-31.6-177.600000116.8I91 W92 K93 L445 T447G89-I91 VanDerWaalsContact C-N 3.27Å; G89-I91 PolarHBondContact O-N 3.05Å; G89-W92 PolarHBondContact O-N 2.87Å; G89-K93 PolarHBondContact O-N 3.31Å; G89-K93 VanDerWaalsContact O-N 3.11Å; G89-L445 PolarHBondContact N-O 3.24Å; G89-T447 WeakPolarHBondContact CA-OG1 3.45Å
90F98.2Very high96.3Very high4 Ų427.1 Ų27.12%0.01813%0.125CC..Hα-helixtrans-63-35.1180-178.8-129.6000112.3S88 K93 L94 D444 L445 R446 R460 E463S88-F90 PolarHBondContact O-N 2.93Å; F90-K93 WeakPolarHBondContact O-CB 3.41Å; F90-K93 PolarHBondContact O-N 3.49Å; F90-L94 HydrophobicContact CD1-CD1 4.03Å; F90-L94 HydrophobicContact CD2-CG 4.26Å; F90-L94 HydrophobicContact CE1-CD1 3.59Å; F90-L94 HydrophobicContact CE1-CG 4.16Å; F90-L94 HydrophobicContact CE2-CD1 4.23Å; F90-L94 HydrophobicContact CE2-CD2 3.94Å; F90-L94 HydrophobicContact CE2-CG 3.87Å; F90-L94 HydrophobicContact CZ-CD1 3.7Å; F90-L94 HydrophobicContact CZ-CD2 3.84Å; F90-L94 HydrophobicContact CZ-CG 3.82Å; F90-L94 WeakPolarHBondContact O-CG 3.22Å; F90-L94 PolarHBondContact O-N 3.48Å; F90-D444 WeakPolarHBondContact CB-O 3.42Å; F90-L445 WeakPolarHBondContact CB-O 3.13Å; F90-L445 PolarHBondContact N-O 2.98Å; F90-R446 PolarHBondContact N-O 2.93Å; F90-R460 HydrophobicContact CD1-CG 4.3Å; F90-R460 HydrophobicContact CD2-CB 4.37Å; F90-R460 HydrophobicContact CD2-CG 4.1Å; F90-R460 HydrophobicContact CE1-CB 4.29Å; F90-R460 HydrophobicContact CE1-CG 4.12Å; F90-R460 HydrophobicContact CE2-CB 3.73Å; F90-R460 HydrophobicContact CE2-CG 3.93Å; F90-R460 HydrophobicContact CG-CG 4.3Å; F90-R460 HydrophobicContact CZ-CB 3.68Å; F90-R460 HydrophobicContact CZ-CG 3.94Å; F90-R460 WeakPolarHBondContact CZ-O 3.31Å; F90-E463 HydrophobicContact CE1-CB 4.24Å; F90-E463 WeakPolarHBondContact CE1-OE2 3.16Å
91I98.4Very high96.6Very high0 Ų026 Ų260%012%0.118CC..Hα-helixtrans-65.8-42.6178.3-58.5175.9000110.5L72 Y74 S88 G89 K93 L94 S95 V102 F104 F161L72-I91 HydrophobicContact CB-CG2 3.85Å; L72-I91 HydrophobicContact CD1-CG2 3.98Å; Y74-I91 HydrophobicContact CD2-CD1 3.59Å; Y74-I91 HydrophobicContact CE2-CD1 4.3Å; S88-I91 PolarHBondContact O-N 3.18Å; S88-I91 VanDerWaalsContact O-N 3.07Å; G89-I91 VanDerWaalsContact C-N 3.27Å; G89-I91 PolarHBondContact O-N 3.05Å; I91-K93 VanDerWaalsContact C-N 3.33Å; I91-K93 PolarHBondContact O-N 3.13Å; I91-L94 PolarHBondContact O-N 3.26Å; I91-S95 PolarHBondContact O-N 3.48Å; I91-V102 HydrophobicContact CG2-CG1 4.08Å; I91-V102 HydrophobicContact CG2-CG2 4.43Å; I91-F104 HydrophobicContact CD1-CE1 4.42Å; I91-F104 HydrophobicContact CD1-CZ 3.98Å; I91-F161 HydrophobicContact CD1-CB 3.55Å; I91-F161 HydrophobicContact CD1-CD1 3.97Å; I91-F161 HydrophobicContact CD1-CD2 4.38Å; I91-F161 HydrophobicContact CD1-CG 3.73Å; I91-F161 HydrophobicContact CG1-CB 4.37Å; I91-F161 HydrophobicContact CG1-CD1 3.85Å; I91-F161 HydrophobicContact CG1-CE1 4.22Å; I91-F161 HydrophobicContact CG1-CG 4.03Å
92W97.7Very high96.8Very high13 Ų1326 Ų265%0.04912%0.118CC..Hα-helixtrans-62.7-39.2175.6-58.6106.6000112F32 Y34 N61 A85 G89 S95 V102 F104F32-W92 HydrophobicContact CB-CD2 4.4Å; F32-W92 HydrophobicContact CB-CZ2 4.48Å; F32-W92 HydrophobicContact CD1-CB 3.97Å; F32-W92 AromaticContact CD1-CD1 3.73Å; F32-W92 HydrophobicContact CD1-CD2 4.16Å; F32-W92 AromaticContact CD1-CG 3.68Å; F32-W92 HydrophobicContact CD1-CG 3.68Å; F32-W92 AromaticContact CD2-CD1 3.85Å; F32-W92 AromaticContact CD2-NE1 3.71Å; F32-W92 HydrophobicContact CE1-CB 3.87Å; F32-W92 AromaticContact CE1-CD1 3.7Å; F32-W92 AromaticContact CE1-CG 3.85Å; F32-W92 HydrophobicContact CE1-CG 3.85Å; F32-W92 AromaticContact CE2-CD1 3.82Å; F32-W92 AromaticContact CG-CD1 3.82Å; F32-W92 HydrophobicContact CG-CD2 4.22Å; F32-W92 HydrophobicContact CG-CG 4.07Å; F32-W92 AromaticContact CG-NE1 3.81Å; F32-W92 AromaticContact CZ-CD1 3.75Å; F32-W92 HydrophobicContact CZ-CG 4.35Å; Y34-W92 AromaticContact CD1-CH2 3.79Å; Y34-W92 HydrophobicContact CD1-CH2 3.79Å; Y34-W92 AromaticContact CD1-CZ2 3.99Å; Y34-W92 HydrophobicContact CD1-CZ2 3.99Å; Y34-W92 HydrophobicContact CG-CH2 4.32Å; N61-W92 HydrophobicContact CB-CH2 4.49Å; N61-W92 HydrophobicContact CB-CZ3 3.76Å; A85-W92 HydrophobicContact CB-CZ2 4.1Å; A85-W92 PolarHBondContact O-NE1 2.88Å; G89-W92 PolarHBondContact O-N 2.87Å; W92-S95 PolarHBondContact O-N 3.35Å; W92-S95 PolarHBondContact O-OG 3.3Å; W92-V102 HydrophobicContact CE3-CB 4.32Å; W92-V102 HydrophobicContact CE3-CG1 4.11Å; W92-V102 HydrophobicContact CE3-CG2 4.16Å; W92-V102 HydrophobicContact CH2-CB 4.42Å; W92-V102 HydrophobicContact CH2-CG1 3.84Å; W92-V102 HydrophobicContact CZ2-CG1 4.26Å; W92-V102 HydrophobicContact CZ3-CB 3.95Å; W92-V102 HydrophobicContact CZ3-CG1 3.78Å; W92-V102 HydrophobicContact CZ3-CG2 4.27Å; W92-F104 AromaticContact CE2-CE2 3.83Å; W92-F104 HydrophobicContact CH2-CD2 4.34Å; W92-F104 HydrophobicContact CH2-CE2 4.13Å; W92-F104 AromaticContact CZ2-CD2 3.97Å; W92-F104 HydrophobicContact CZ2-CD2 3.97Å; W92-F104 AromaticContact CZ2-CE2 3.49Å; W92-F104 HydrophobicContact CZ2-CE2 3.49Å; W92-F104 VanDerWaalsContact CZ2-CE2 3.49Å; W92-F104 HydrophobicContact CZ2-CZ 4.3Å
93K97Very high97Very high76 Ų7624 Ų2433%0.3311%0.108SC..Hα-helixtrans-61.6-51.4171.3177.1-179.7170.7-175.70111.6G89 F90 I91 S95 R96 E97 P448G89-K93 PolarHBondContact O-N 3.31Å; G89-K93 VanDerWaalsContact O-N 3.11Å; F90-K93 WeakPolarHBondContact O-CB 3.41Å; F90-K93 PolarHBondContact O-N 3.49Å; I91-K93 VanDerWaalsContact C-N 3.33Å; I91-K93 PolarHBondContact O-N 3.13Å; K93-S95 PolarHBondContact O-N 3.43Å; K93-R96 PolarHBondContact O-N 3.21Å; K93-E97 WeakPolarHBondContact CE-OE1 3.44Å; K93-E97 IonicContact NZ-OE1 3.62Å; K93-E97 PolarHBondContact O-N 3.46Å; K93-P448 HydrophobicContact CD-CG 3.78Å
94L98.1Very high97.3Very high0 Ų023.9 Ų23.90%011%0.108CC..Hα-helixtrans-58.6-34.6179.2-73.4178.7000112.2L72 F90 I91 R96 E97 L98 F161 K464 I467L72-L94 HydrophobicContact CD1-CB 3.82Å; F90-L94 HydrophobicContact CD1-CD1 4.03Å; F90-L94 HydrophobicContact CD2-CG 4.26Å; F90-L94 HydrophobicContact CE1-CD1 3.59Å; F90-L94 HydrophobicContact CE1-CG 4.16Å; F90-L94 HydrophobicContact CE2-CD1 4.23Å; F90-L94 HydrophobicContact CE2-CD2 3.94Å; F90-L94 HydrophobicContact CE2-CG 3.87Å; F90-L94 HydrophobicContact CZ-CD1 3.7Å; F90-L94 HydrophobicContact CZ-CD2 3.84Å; F90-L94 HydrophobicContact CZ-CG 3.82Å; F90-L94 WeakPolarHBondContact O-CG 3.22Å; F90-L94 PolarHBondContact O-N 3.48Å; I91-L94 PolarHBondContact O-N 3.26Å; L94-R96 VanDerWaalsContact C-N 3.28Å; L94-R96 PolarHBondContact O-N 3.18Å; L94-E97 PolarHBondContact O-N 2.97Å; L94-L98 HydrophobicContact CB-CD1 4.28Å; L94-L98 HydrophobicContact CD2-CD1 4.32Å; L94-L98 VanDerWaalsContact O-CB 3.3Å; L94-L98 WeakPolarHBondContact O-CB 3.05Å; L94-L98 WeakPolarHBondContact O-CG 3.18Å; L94-L98 PolarHBondContact O-N 2.91Å; L94-F161 HydrophobicContact CD1-CE1 4Å; L94-F161 HydrophobicContact CD1-CZ 3.9Å; L94-K464 HydrophobicContact CD2-CB 4Å; L94-K464 HydrophobicContact CD2-CD 4.25Å; L94-K464 HydrophobicContact CD2-CG 4.01Å; L94-I467 HydrophobicContact CD1-CD1 3.79Å
95S97.6Very high97.5Very high4 Ų423.4 Ų23.43%0.02811%0.106CC..Hα-helixtrans-58.7-40.6179.577.80000113.1I91 W92 K93 N99 A100I91-S95 PolarHBondContact O-N 3.48Å; W92-S95 PolarHBondContact O-N 3.35Å; W92-S95 PolarHBondContact O-OG 3.3Å; K93-S95 PolarHBondContact O-N 3.43Å; S95-N99 WeakPolarHBondContact O-CA 3.39Å; S95-N99 PolarHBondContact O-N 2.97Å; S95-N99 VanDerWaalsContact O-N 3.16Å; S95-A100 PolarHBondContact O-N 3.27Å
96R96.3Very high97.6Very high167 Ų16723.4 Ų23.463%0.6311%0.106SC*.Hα-helixtrans-71.7-38.1176.8-67-179.1-72.5-174.4-3112.1S64 K93 L94S64-R96 WeakPolarHBondContact OG-CG 3.49Å; K93-R96 PolarHBondContact O-N 3.21Å; L94-R96 VanDerWaalsContact C-N 3.28Å; L94-R96 PolarHBondContact O-N 3.18Å
97E97.2Very high97.7Very high83 Ų8322.6 Ų22.639%0.38810%0.102SC..Hα-helixtrans-76.7-28.2-178.5-67.1-174.1-167.700113.5K93 L94 K464K93-E97 WeakPolarHBondContact CE-OE1 3.44Å; K93-E97 IonicContact NZ-OE1 3.62Å; K93-E97 PolarHBondContact O-N 3.46Å; L94-E97 PolarHBondContact O-N 2.97Å; E97-K464 WeakPolarHBondContact OE2-CD 3.49Å; E97-K464 VanDerWaalsContact OE2-CE 3.27Å; E97-K464 WeakPolarHBondContact OE2-CE 3.36Å; E97-K464 IonicContact OE2-NZ 2.78Å; E97-K464 PolarHBondContact OE2-NZ 3.3Å
98L97.4Very high97.9Very high26 Ų2621.9 Ų21.914%0.13610%0.098CC..THydrogen-bonded Turntrans-106.65.4-175.2-58.6179.1000113.1P70 L94 A100 I467 I468 I471P70-L98 WeakPolarHBondContact CD-O 3.25Å; P70-L98 HydrophobicContact CG-CB 4.27Å; L94-L98 HydrophobicContact CB-CD1 4.28Å; L94-L98 HydrophobicContact CD2-CD1 4.32Å; L94-L98 VanDerWaalsContact O-CB 3.3Å; L94-L98 WeakPolarHBondContact O-CB 3.05Å; L94-L98 WeakPolarHBondContact O-CG 3.18Å; L94-L98 PolarHBondContact O-N 2.91Å; L98-A100 HydrophobicContact CB-CB 4.38Å; L98-A100 PolarHBondContact O-N 2.95Å; L98-I467 HydrophobicContact CD1-CG2 3.65Å; L98-I468 HydrophobicContact CD2-CD1 4.09Å; L98-I468 HydrophobicContact CD2-CG1 3.66Å; L98-I471 HydrophobicContact CD1-CD1 4.44Å
99N97.1Very high97.9Very high79 Ų7921.7 Ų21.742%0.42210%0.097SC..THydrogen-bonded Turntrans4946.1-172.2-53-37.8000112.5S64 F65 T66 S95S64-N99 CarbonylContact O-C 3.58Å; S64-N99 VanDerWaalsContact O-C 3.28Å; S64-N99 WeakPolarHBondContact O-CA 3.4Å; F65-N99 WeakPolarHBondContact CA-O 3.39Å; T66-N99 HydrophobicContact CG2-CB 4.05Å; T66-N99 PolarHBondContact N-O 3.38Å; T66-N99 WeakPolarHBondContact OG1-CB 3.48Å; S95-N99 WeakPolarHBondContact O-CA 3.39Å; S95-N99 PolarHBondContact O-N 2.97Å; S95-N99 VanDerWaalsContact O-N 3.16Å
100A98.2Very high97.8Very high0 Ų021.6 Ų21.60%010%0.096CC..  trans-97.7158.9-170.400000112.7P70 L72 S95 L98P70-A100 HydrophobicContact CG-CB 3.61Å; P70-A100 VanDerWaalsContact O-CA 3.29Å; P70-A100 WeakPolarHBondContact O-CA 3.35Å; P70-A100 WeakPolarHBondContact O-CB 3.29Å; 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 3.27Å; L98-A100 HydrophobicContact CB-CB 4.38Å; L98-A100 PolarHBondContact O-N 2.95Å
101S98.2Very high97.6Very high0 Ų022.1 Ų22.10%010%0.103CC..EExtended strand (participates in β ladder)trans-88.3144.8161.9170.40000108.3N61 N62 P70 L72 F153N61-S101 WeakPolarHBondContact O-CA 3.4Å; N61-S101 PolarHBondContact O-OG 2.89Å; N62-S101 WeakPolarHBondContact OD1-CB 3.15Å; N62-S101 PolarHBondContact OD1-OG 3.48Å; P70-S101 PolarHBondContact O-N 3.42Å; L72-S101 PolarHBondContact N-O 3.38Å; S101-F153 WeakPolarHBondContact OG-CZ 3.4Å
102V98.5Very high97.4Very high1 Ų125.6 Ų25.61%0.00612%0.124CC..EExtended strand (participates in β ladder)trans-110.7130.4174.8-178.80000108.8I60 N61 I91 W92 F104I60-V102 CarbonylContact C-O 3.59Å; I60-V102 VanDerWaalsContact CA-O 3.31Å; I60-V102 WeakPolarHBondContact CA-O 3.33Å; N61-V102 HydrophobicContact CB-CB 4.46Å; N61-V102 PolarHBondContact N-O 3.45Å; N61-V102 PolarHBondContact O-N 2.98Å; I91-V102 HydrophobicContact CG2-CG1 4.08Å; I91-V102 HydrophobicContact CG2-CG2 4.43Å; W92-V102 HydrophobicContact CE3-CB 4.32Å; W92-V102 HydrophobicContact CE3-CG1 4.11Å; W92-V102 HydrophobicContact CE3-CG2 4.16Å; W92-V102 HydrophobicContact CH2-CB 4.42Å; W92-V102 HydrophobicContact CH2-CG1 3.84Å; W92-V102 HydrophobicContact CZ2-CG1 4.26Å; W92-V102 HydrophobicContact CZ3-CB 3.95Å; W92-V102 HydrophobicContact CZ3-CG1 3.78Å; W92-V102 HydrophobicContact CZ3-CG2 4.27Å; V102-F104 HydrophobicContact CG1-CD2 3.68Å; V102-F104 HydrophobicContact CG1-CE2 3.4Å; V102-F104 VanDerWaalsContact CG1-CE2 3.4Å
103V98.7Very high97.4Very high0 Ų025 Ų250%012%0.121CC..EExtended strand (participates in β ladder)trans-131.7123.3175.31790000108.9Y58 L59 I60 I71 L72 F73 Y74 L142 L146Y58-V103 HydrophobicContact CD2-CG1 4.17Å; L59-V103 CarbonylContact O-C 3.28Å; L59-V103 VanDerWaalsContact O-CA 3.27Å; L59-V103 WeakPolarHBondContact O-CA 3.41Å; I60-V103 HydrophobicContact CD1-CG2 4.2Å; I60-V103 HydrophobicContact CG1-CG2 4.11Å; I71-V103 HydrophobicContact CG2-CB 4.34Å; I71-V103 HydrophobicContact CG2-CG2 3.84Å; L72-V103 PolarHBondContact O-N 3.27Å; F73-V103 CarbonylContact C-O 3.6Å; F73-V103 WeakPolarHBondContact CA-O 3.35Å; F73-V103 HydrophobicContact CD2-CB 3.93Å; F73-V103 HydrophobicContact CD2-CG1 3.75Å; F73-V103 HydrophobicContact CE2-CB 4.44Å; F73-V103 HydrophobicContact CE2-CG1 3.75Å; Y74-V103 PolarHBondContact N-O 2.98Å; V103-L142 HydrophobicContact CG1-CD2 4.42Å; V103-L146 HydrophobicContact CG1-CD1 4.08Å; V103-L146 HydrophobicContact CG2-CD1 3.87Å
104F98.8Very high97.4Very high0 Ų023.1 Ų23.10%012%0.115CC..EExtended strand (participates in β ladder)trans-109.3114.2168.2-75.8-105.6000108.6Y58 L59 Y74 I81 F84 A85 I91 W92 V102Y58-F104 CarbonylContact C-O 3.17Å; Y58-F104 WeakPolarHBondContact CA-O 3.34Å; Y58-F104 WeakPolarHBondContact CB-O 3.16Å; L59-F104 HydrophobicContact CB-CB 4.19Å; L59-F104 HydrophobicContact CD1-CB 4.35Å; L59-F104 HydrophobicContact CG-CB 4.4Å; L59-F104 PolarHBondContact N-O 2.95Å; L59-F104 PolarHBondContact O-N 2.89Å; Y74-F104 VanDerWaalsContact CB-CE1 3.44Å; Y74-F104 AromaticContact CD1-CD1 3.68Å; Y74-F104 HydrophobicContact CD1-CD1 3.68Å; Y74-F104 AromaticContact CD1-CE1 4Å; Y74-F104 HydrophobicContact CD1-CE1 4Å; Y74-F104 AromaticContact CD2-CD1 3.95Å; Y74-F104 HydrophobicContact CD2-CD1 3.95Å; Y74-F104 AromaticContact CD2-CE1 3.42Å; Y74-F104 HydrophobicContact CD2-CE1 3.42Å; Y74-F104 VanDerWaalsContact CD2-CE1 3.42Å; Y74-F104 HydrophobicContact CD2-CZ 4.22Å; Y74-F104 HydrophobicContact CE2-CE1 4.1Å; Y74-F104 AromaticContact CG-CD1 3.34Å; Y74-F104 HydrophobicContact CG-CD1 3.34Å; Y74-F104 AromaticContact CG-CE1 3.35Å; Y74-F104 HydrophobicContact CG-CE1 3.35Å; Y74-F104 HydrophobicContact CG-CG 4.29Å; Y74-F104 HydrophobicContact CG-CZ 4.33Å; I81-F104 HydrophobicContact CD1-CB 3.82Å; I81-F104 HydrophobicContact CD1-CD1 4.36Å; I81-F104 HydrophobicContact CG1-CB 3.7Å; F84-F104 HydrophobicContact CB-CD1 4.46Å; A85-F104 VanDerWaalsContact CA-CE1 3.49Å; A85-F104 HydrophobicContact CB-CD1 4Å; A85-F104 HydrophobicContact CB-CD2 4.18Å; A85-F104 HydrophobicContact CB-CE1 4.17Å; A85-F104 HydrophobicContact CB-CE2 4.31Å; A85-F104 HydrophobicContact CB-CG 4.04Å; A85-F104 HydrophobicContact CB-CZ 4.33Å; I91-F104 HydrophobicContact CD1-CE1 4.42Å; I91-F104 HydrophobicContact CD1-CZ 3.98Å; W92-F104 AromaticContact CE2-CE2 3.83Å; W92-F104 HydrophobicContact CH2-CD2 4.34Å; W92-F104 HydrophobicContact CH2-CE2 4.13Å; W92-F104 AromaticContact CZ2-CD2 3.97Å; W92-F104 HydrophobicContact CZ2-CD2 3.97Å; W92-F104 AromaticContact CZ2-CE2 3.49Å; W92-F104 HydrophobicContact CZ2-CE2 3.49Å; W92-F104 VanDerWaalsContact CZ2-CE2 3.49Å; W92-F104 HydrophobicContact CZ2-CZ 4.3Å; V102-F104 HydrophobicContact CG1-CD2 3.68Å; V102-F104 HydrophobicContact CG1-CE2 3.4Å; V102-F104 VanDerWaalsContact CG1-CE2 3.4Å
105A98.8Very high97.4Very high0 Ų023.6 Ų23.60%012%0.118CC..EExtended strand (participates in β ladder)trans-99.9126.3-178.500000110.9F73 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 3.48Å; Y74-A105 VanDerWaalsContact O-N 3.13Å; G76-A105 WeakPolarHBondContact CA-O 3.34Å; G76-A105 PolarHBondContact N-O 3.35Å; I81-A105 VanDerWaalsContact CD1-O 3.31Å; I81-A105 WeakPolarHBondContact CD1-O 3.42Å; A105-Y139 HydrophobicContact CB-CD1 3.71Å; A105-Y139 HydrophobicContact CB-CE1 3.68Å; A105-L142 HydrophobicContact CB-CD2 3.64Å
106E98.7Very high97.4Very high0 Ų025.1 Ų25.10%012%0.124CC..PPolyproline II helixtrans-71.5141.2178.7-170.2155.9-94.100111.2I56 R57 I81 Y110 T112 S113I56-E106 HydrophobicContact CG2-CB 4.47Å; I56-E106 VanDerWaalsContact CG2-O 3.25Å; I56-E106 WeakPolarHBondContact CG2-O 3.16Å; R57-E106 HydrophobicContact CB-CB 4.15Å; R57-E106 IonicContact CZ-OE1 3.52Å; R57-E106 VanDerWaalsContact CZ-OE1 3.25Å; R57-E106 IonicContact CZ-OE2 2.81Å; R57-E106 IonicContact NE-OE1 2.78Å; R57-E106 PolarHBondContact NE-OE1 3.47Å; R57-E106 VanDerWaalsContact NE-OE1 3.09Å; R57-E106 IonicContact NE-OE2 2.68Å; R57-E106 PolarHBondContact NE-OE2 2.99Å; R57-E106 IonicContact NH2-OE1 3.77Å; R57-E106 PolarHBondContact NH2-OE1 2.92Å; R57-E106 IonicContact NH2-OE2 3.37Å; R57-E106 WeakPolarHBondContact O-CB 3.17Å; R57-E106 PolarHBondContact O-N 3.28Å; I81-E106 HydrophobicContact CB-CB 3.76Å; I81-E106 HydrophobicContact CB-CG 4.05Å; I81-E106 WeakPolarHBondContact CB-OE1 3.31Å; I81-E106 HydrophobicContact CG1-CB 4.26Å; I81-E106 HydrophobicContact CG2-CB 4.04Å; I81-E106 HydrophobicContact CG2-CG 4.42Å; I81-E106 WeakPolarHBondContact CG2-OE1 3.13Å; I81-E106 PolarHBondContact N-OE1 3.29Å; E106-Y110 VanDerWaalsContact CD-O 3.32Å; E106-T112 PolarHBondContact OE2-N 3.47Å; E106-T112 PolarHBondContact OE2-OG1 3.45Å; E106-S113 WeakPolarHBondContact CB-OG 3.24Å; E106-S113 WeakPolarHBondContact CG-OG 3.24Å; E106-S113 WeakPolarHBondContact OE2-CB 3.49Å; E106-S113 PolarHBondContact OE2-N 3.34Å; E106-S113 VanDerWaalsContact OE2-N 3.11Å; E106-S113 PolarHBondContact OE2-OG 3.38Å
107H98.5Very high97.3Very high0 Ų018.7 Ų18.70%011%0.11CC..PPolyproline II helixtrans-72.4138.8175.3-167.1-68.5000110N77 Y109 Y110 T135 Y139 Y165N77-H107 VanDerWaalsContact O-CB 3.24Å; N77-H107 WeakPolarHBondContact O-CB 3.38Å; H107-Y109 PolarHBondContact O-N 3.14Å; H107-Y110 HydrophobicContact CB-CD2 3.66Å; H107-Y110 HydrophobicContact CB-CE2 4.41Å; H107-Y110 HydrophobicContact CB-CG 4.39Å; H107-Y110 AromaticContact CE1-CE2 3.83Å; H107-Y110 AromaticContact CG-CD2 3.62Å; H107-Y110 AromaticContact CG-CE2 3.93Å; H107-Y110 AromaticContact ND1-CD2 3.3Å; H107-Y110 VanDerWaalsContact ND1-CD2 3.3Å; H107-Y110 WeakPolarHBondContact ND1-CD2 3.44Å; H107-Y110 AromaticContact ND1-CE2 3.43Å; H107-Y110 WeakPolarHBondContact ND1-CE2 3.46Å; H107-Y110 PolarHBondContact O-N 2.98Å; H107-Y110 VanDerWaalsContact O-N 3.15Å; H107-T135 HydrophobicContact CB-CG2 4.48Å; H107-T135 WeakPolarHBondContact CD2-CG2 3.41Å; H107-T135 PolarHBondContact CE1-OG1 3.09Å; H107-T135 WeakPolarHBondContact NE2-CG2 3.46Å; H107-T135 PolarHBondContact NE2-OG1 3.19Å; H107-Y139 WeakPolarHBondContact CA-OH 3.47Å; H107-Y165 AromaticContact CD2-CE1 3.66Å; H107-Y165 AromaticContact NE2-CE1 3.42Å; H107-Y165 WeakPolarHBondContact NE2-CE1 3.32Å; H107-Y165 AromaticContact NE2-CZ 3.63Å; H107-Y165 PolarHBondContact NE2-OH 3.06Å
108R98.1Very high97.1Very high0 Ų022.7 Ų22.70%013%0.134CC..THydrogen-bonded Turntrans-54.7142.6171.855.8166.659.5-151.3-4.6110.7R42 V43 H45 F54 Y110 S113 Y129 Q134 T135 D138R42-R108 PolarHBondContact O-NH2 2.99Å; V43-R108 PolarHBondContact O-NH1 3.07Å; H45-R108 PolarHBondContact CD2-NH2 2.7Å; H45-R108 PolarHBondContact NE2-NH2 2.8Å; F54-R108 HydrophobicContact CE2-CB 4.23Å; F54-R108 HydrophobicContact CZ-CB 3.87Å; R108-Y110 WeakPolarHBondContact O-CD2 3.43Å; R108-Y110 PolarHBondContact O-N 2.78Å; R108-S113 CarbonylContact C-O 3.46Å; R108-Y129 WeakPolarHBondContact CD-O 3.31Å; R108-Y129 PolarHBondContact NH1-O 3.03Å; R108-Q134 VanDerWaalsContact CZ-CB 3.46Å; R108-T135 WeakPolarHBondContact CG-OG1 3.4Å; R108-D138 IonicContact CZ-OD2 3.71Å; R108-D138 IonicContact NE-OD2 2.76Å; R108-D138 PolarHBondContact NE-OD2 3.42Å; R108-D138 IonicContact NH2-OD1 3.46Å; R108-D138 PolarHBondContact NH2-OD1 3.37Å; R108-D138 IonicContact NH2-OD2 2.72Å; R108-D138 PolarHBondContact NH2-OD2 3.23Å
109Y97.2Very high97Very high0 Ų025.3 Ų25.30%015%0.148CC..THydrogen-bonded Turntrans71.7-0.2-175.1-59.6-99.9000116.7H107 S113 L114 P115 S120 F121 H126 Y129 L130H107-Y109 PolarHBondContact O-N 3.14Å; Y109-S113 PolarHBondContact N-O 3.09Å; Y109-L114 WeakPolarHBondContact O-CD2 3.14Å; Y109-P115 HydrophobicContact CD2-CG 4.02Å; Y109-P115 HydrophobicContact CE1-CG 4.17Å; Y109-P115 HydrophobicContact CE2-CG 3.51Å; Y109-S120 WeakPolarHBondContact CE1-O 3.43Å; Y109-F121 HydrophobicContact CD1-CE1 4.48Å; Y109-F121 HydrophobicContact CD1-CE2 4.24Å; Y109-F121 HydrophobicContact CD1-CZ 4.07Å; Y109-F121 HydrophobicContact CG-CZ 4.48Å; Y109-H126 PolarHBondContact OH-O 2.65Å; Y109-Y129 WeakPolarHBondContact OH-CB 3.13Å; Y109-L130 HydrophobicContact CD1-CB 4.25Å; Y109-L130 HydrophobicContact CD1-CD2 4.42Å; Y109-L130 HydrophobicContact CD2-CB 3.6Å; Y109-L130 HydrophobicContact CD2-CD1 3.77Å; Y109-L130 HydrophobicContact CD2-CG 4.11Å; Y109-L130 HydrophobicContact CE1-CB 4.43Å; Y109-L130 HydrophobicContact CE2-CB 3.78Å; Y109-L130 HydrophobicContact CG-CB 3.87Å; Y109-L130 HydrophobicContact CG-CD1 4Å; Y109-L130 HydrophobicContact CG-CD2 4.04Å; Y109-L130 HydrophobicContact CG-CG 4.15Å
110Y95.6Very high96.9Very high0 Ų021.5 Ų21.50%013%0.128CC..SBendtrans-113.3154.6176.3-65.7-83.9000111.8E78 E106 H107 R108 T112 S113 L130 D340 W344 Q347E78-Y110 HydrophobicContact CB-CD1 4.29Å; E78-Y110 HydrophobicContact CB-CE1 3.58Å; E78-Y110 HydrophobicContact CB-CE2 4.48Å; E106-Y110 VanDerWaalsContact CD-O 3.32Å; H107-Y110 HydrophobicContact CB-CD2 3.66Å; H107-Y110 HydrophobicContact CB-CE2 4.41Å; H107-Y110 HydrophobicContact CB-CG 4.39Å; H107-Y110 AromaticContact CE1-CE2 3.83Å; H107-Y110 AromaticContact CG-CD2 3.62Å; H107-Y110 AromaticContact CG-CE2 3.93Å; H107-Y110 AromaticContact ND1-CD2 3.3Å; H107-Y110 VanDerWaalsContact ND1-CD2 3.3Å; H107-Y110 WeakPolarHBondContact ND1-CD2 3.44Å; H107-Y110 AromaticContact ND1-CE2 3.43Å; H107-Y110 WeakPolarHBondContact ND1-CE2 3.46Å; H107-Y110 PolarHBondContact O-N 2.98Å; H107-Y110 VanDerWaalsContact O-N 3.15Å; R108-Y110 WeakPolarHBondContact O-CD2 3.43Å; R108-Y110 PolarHBondContact O-N 2.78Å; Y110-T112 PolarHBondContact O-N 3.31Å; Y110-S113 PolarHBondContact O-N 2.77Å; Y110-L130 HydrophobicContact CE2-CD1 4.11Å; Y110-D340 HydrophobicContact CD1-CB 3.92Å; Y110-D340 HydrophobicContact CE1-CB 4.35Å; Y110-D340 WeakPolarHBondContact CE1-O 3.31Å; Y110-W344 VanDerWaalsContact OH-CA 3.27Å; Y110-W344 WeakPolarHBondContact OH-CA 3.43Å; Y110-W344 PolarHBondContact OH-N 3.19Å; Y110-W344 VanDerWaalsContact OH-N 3.08Å; Y110-Q347 VanDerWaalsContact CE2-OE1 3.29Å; Y110-Q347 PolarHBondContact OH-OE1 3.02Å
111G93.6Very high96.7Very high16 Ų1623.9 Ų23.917%0.16514%0.138CC..THydrogen-bonded Turntrans54.9-111.7-177.600000111.8D340G111-D340 PolarHBondContact N-OD1 3.13Å
112T94.7Very high96.4Very high72 Ų7230.4 Ų30.444%0.44217%0.167SC..THydrogen-bonded Turntrans-109.1-3.4-179.264.40000113.7R57 E106 Y110 L114R57-T112 WeakPolarHBondContact CD-OG1 3.47Å; R57-T112 VanDerWaalsContact CZ-OG1 3.29Å; R57-T112 PolarHBondContact NE-OG1 3.13Å; E106-T112 PolarHBondContact OE2-N 3.47Å; E106-T112 PolarHBondContact OE2-OG1 3.45Å; Y110-T112 PolarHBondContact O-N 3.31Å; T112-L114 PolarHBondContact O-N 3.43Å
113S97.8Very high96.2Very high0 Ų032 Ų320%018%0.175CC..  trans-85.661.4-173.9-61.30000111.6R57 E106 R108 Y109 Y110 P115R57-S113 PolarHBondContact N-OG 3.47Å; E106-S113 WeakPolarHBondContact CB-OG 3.24Å; E106-S113 WeakPolarHBondContact CG-OG 3.24Å; E106-S113 WeakPolarHBondContact OE2-CB 3.49Å; E106-S113 PolarHBondContact OE2-N 3.34Å; E106-S113 VanDerWaalsContact OE2-N 3.11Å; E106-S113 PolarHBondContact OE2-OG 3.38Å; R108-S113 CarbonylContact C-O 3.46Å; Y109-S113 PolarHBondContact N-O 3.09Å; Y110-S113 PolarHBondContact O-N 2.77Å; S113-P115 WeakPolarHBondContact O-CD 3.49Å
114L97.3Very high96Very high37 Ų3739.6 Ų39.619%0.19420%0.204CC..  trans-100.8111.1-169.6-59.7-174.8000111.8Y109 T112 F116 G117 S120 V339Y109-L114 WeakPolarHBondContact O-CD2 3.14Å; T112-L114 PolarHBondContact O-N 3.43Å; L114-F116 PolarHBondContact O-N 3.39Å; L114-F116 VanDerWaalsContact O-N 3.09Å; L114-G117 PolarHBondContact O-N 2.98Å; L114-G117 VanDerWaalsContact O-N 3.14Å; L114-S120 WeakPolarHBondContact CB-OG 3.33Å; L114-V339 HydrophobicContact CD1-CG2 4.32Å; L114-V339 HydrophobicContact CD2-CG2 3.81Å
115P97.7Very high95.8Very high11 Ų1148.4 Ų48.47%0.07124%0.237CC..THydrogen-bonded Turntrans-56.9-30.9-174.7-30.839.7000115.4V43 F54 Y109 S113V43-P115 HydrophobicContact CG1-CB 4.45Å; V43-P115 HydrophobicContact CG2-CB 4.22Å; F54-P115 HydrophobicContact CD1-CB 4.11Å; F54-P115 HydrophobicContact CD1-CG 4.22Å; F54-P115 HydrophobicContact CD2-CB 4.22Å; F54-P115 HydrophobicContact CD2-CG 3.94Å; F54-P115 HydrophobicContact CE1-CB 4.33Å; F54-P115 HydrophobicContact CE1-CG 4Å; F54-P115 HydrophobicContact CE2-CB 4.44Å; F54-P115 HydrophobicContact CE2-CG 3.7Å; F54-P115 HydrophobicContact CG-CB 4.06Å; F54-P115 HydrophobicContact CG-CG 4.2Å; F54-P115 HydrophobicContact CZ-CG 3.75Å; Y109-P115 HydrophobicContact CD2-CG 4.02Å; Y109-P115 HydrophobicContact CE1-CG 4.17Å; Y109-P115 HydrophobicContact CE2-CG 3.51Å; S113-P115 WeakPolarHBondContact O-CD 3.49Å
116F97.2Very high95.6Very high35 Ų3550 Ų5015%0.15425%0.245CC..THydrogen-bonded Turntrans-124.224.9179.9-53.7-80.9000112.3V43 L114 N118 N119 S120 H126 Y129V43-F116 HydrophobicContact CG1-CE2 3.98Å; V43-F116 HydrophobicContact CG1-CZ 3.63Å; V43-F116 HydrophobicContact CG2-CZ 4.46Å; L114-F116 PolarHBondContact O-N 3.39Å; L114-F116 VanDerWaalsContact O-N 3.09Å; F116-N118 PolarHBondContact O-N 3.06Å; F116-N119 HydrophobicContact CB-CB 4.09Å; F116-N119 WeakPolarHBondContact O-CB 3.36Å; F116-N119 PolarHBondContact O-N 3.26Å; F116-S120 PolarHBondContact N-OG 2.98Å; F116-H126 AromaticContact CD1-CD2 3.95Å; F116-H126 HydrophobicContact CD2-CB 3.82Å; F116-H126 HydrophobicContact CE2-CB 4.19Å; F116-H126 WeakPolarHBondContact CE2-O 3.35Å; F116-H126 HydrophobicContact CG-CB 4.33Å; F116-H126 AromaticContact CG-CD2 3.66Å; F116-Y129 AromaticContact CE2-CD2 3.82Å; F116-Y129 HydrophobicContact CE2-CD2 3.82Å; F116-Y129 AromaticContact CE2-CE2 3.89Å; F116-Y129 HydrophobicContact CE2-CE2 3.89Å; F116-Y129 HydrophobicContact CZ-CD2 4.09Å; F116-Y129 AromaticContact CZ-CE2 3.72Å; F116-Y129 HydrophobicContact CZ-CE2 3.72Å
117G94.8Very high95.5Very high32 Ų3250.4 Ų50.433%0.3325%0.246SC..G310 helixtrans52.6-130.7-173.700000111.5L114 N119 S120L114-G117 PolarHBondContact O-N 2.98Å; L114-G117 VanDerWaalsContact O-N 3.14Å; G117-N119 PolarHBondContact O-N 3.27Å; G117-N119 VanDerWaalsContact O-N 3.1Å; G117-S120 PolarHBondContact N-OG 3.12Å; G117-S120 WeakPolarHBondContact O-CB 3.5Å; G117-S120 PolarHBondContact O-N 3.44Å; G117-S120 PolarHBondContact O-OG 2.85Å
118N92.3Very high95.4Very high168 Ų16852.2 Ų52.290%0.89827%0.265SS*.G310 helixtrans-61.7-18.6178.5-65.6-6000114F116 S120F116-N118 PolarHBondContact O-N 3.06Å; N118-S120 VanDerWaalsContact C-N 3.33Å
119N94.9Very high95.3Very high80 Ų8054.1 Ų54.143%0.42827%0.272SS..G310 helixtrans-86.3-1.2177.8-66.7-53000113.3F116 G117 F121 K122 H126F116-N119 HydrophobicContact CB-CB 4.09Å; F116-N119 WeakPolarHBondContact O-CB 3.36Å; F116-N119 PolarHBondContact O-N 3.26Å; G117-N119 PolarHBondContact O-N 3.27Å; G117-N119 VanDerWaalsContact O-N 3.1Å; N119-F121 PolarHBondContact O-N 2.68Å; N119-K122 HydrophobicContact CB-CB 4.32Å; N119-K122 HydrophobicContact CB-CD 4.38Å; N119-K122 WeakPolarHBondContact O-CB 3.45Å; N119-K122 PolarHBondContact O-N 3.33Å; N119-H126 WeakPolarHBondContact O-CB 3.48Å; N119-H126 PolarHBondContact O-CD2 2.88Å
120S95.7Very high95.4Very high0 Ų054.1 Ų54.10%027%0.272CS..THydrogen-bonded Turntrans-56.5-29.7-173.5-59.90000113.3Y109 L114 F116 G117 N118 H126 F127Y109-S120 WeakPolarHBondContact CE1-O 3.43Å; L114-S120 WeakPolarHBondContact CB-OG 3.33Å; F116-S120 PolarHBondContact N-OG 2.98Å; G117-S120 PolarHBondContact N-OG 3.12Å; G117-S120 WeakPolarHBondContact O-CB 3.5Å; G117-S120 PolarHBondContact O-N 3.44Å; G117-S120 PolarHBondContact O-OG 2.85Å; N118-S120 VanDerWaalsContact C-N 3.33Å; S120-H126 CarbonylContact O-C 3.43Å; S120-F127 WeakPolarHBondContact O-CA 3.44Å; S120-F127 VanDerWaalsContact O-CB 3.31Å; S120-F127 WeakPolarHBondContact O-CB 3.44Å; S120-F127 PolarHBondContact O-N 2.9Å
121F93Very high95.4Very high49 Ų4955.6 Ų55.622%0.21528%0.281CS..THydrogen-bonded Turntrans-105.412179.7-67.1-83.8000114.2Y109 N119 L130 V339 N342 G343 L346Y109-F121 HydrophobicContact CD1-CE1 4.48Å; Y109-F121 HydrophobicContact CD1-CE2 4.24Å; Y109-F121 HydrophobicContact CD1-CZ 4.07Å; Y109-F121 HydrophobicContact CG-CZ 4.48Å; N119-F121 PolarHBondContact O-N 2.68Å; F121-L130 HydrophobicContact CE1-CD2 4.1Å; F121-L130 HydrophobicContact CZ-CD2 4.44Å; F121-V339 HydrophobicContact CD2-CG2 3.86Å; F121-V339 HydrophobicContact CE2-CG2 3.28Å; F121-V339 HydrophobicContact CZ-CG2 4.15Å; F121-N342 HydrophobicContact CD1-CB 4.03Å; F121-N342 HydrophobicContact CE1-CB 4.16Å; F121-N342 HydrophobicContact CG-CB 4.4Å; F121-G343 VanDerWaalsContact CE1-CA 3.49Å; F121-L346 HydrophobicContact CD1-CD2 4.31Å; F121-L346 HydrophobicContact CE1-CD2 4.37Å
122K93.1Very high95.6Very high137 Ų13754.8 Ų54.860%0.59627%0.273SS*.SBendtrans-67.7-50.8-170.5178.8178.6177.4177.30113.7N119N119-K122 HydrophobicContact CB-CB 4.32Å; N119-K122 HydrophobicContact CB-CD 4.38Å; N119-K122 WeakPolarHBondContact O-CB 3.45Å; N119-K122 PolarHBondContact O-N 3.33Å
123D93.8Very high95.8Very high36 Ų3652.4 Ų52.419%0.19326%0.257CS..SBendtrans-157.2173-178.667.639.8000110.8R125 H126 F127D123-R125 PolarHBondContact O-N 3.21Å; D123-R125 WeakPolarHBondContact OD1-CA 3.2Å; D123-R125 VanDerWaalsContact OD1-CB 3.26Å; D123-R125 WeakPolarHBondContact OD1-CB 3.16Å; D123-R125 PolarHBondContact OD1-N 3.16Å; D123-R125 IonicContact OD1-NE 3.33Å; D123-R125 PolarHBondContact OD1-NE 2.59Å; D123-R125 IonicContact OD2-CZ 3.79Å; D123-R125 IonicContact OD2-NE 3.72Å; D123-R125 PolarHBondContact OD2-NE 3.34Å; D123-R125 IonicContact OD2-NH2 3.13Å; D123-R125 PolarHBondContact OD2-NH2 3.23Å; D123-H126 WeakPolarHBondContact O-CA 3.46Å; D123-H126 PolarHBondContact O-N 2.87Å; D123-H126 IonicContact OD1-CE1 2.7Å; D123-H126 IonicContact OD1-CG 3.82Å; D123-H126 PolarHBondContact OD1-N 2.8Å; D123-H126 IonicContact OD1-ND1 3.23Å; D123-H126 PolarHBondContact OD1-ND1 2.85Å; D123-H126 IonicContact OD2-CE1 2.99Å; D123-H126 IonicContact OD2-ND1 3.61Å; D123-F127 WeakPolarHBondContact O-CD1 3.35Å; D123-F127 WeakPolarHBondContact O-CG 3.49Å; D123-F127 PolarHBondContact O-N 2.84Å
124R93.5Very high95.8Very high159 Ų15952.8 Ų52.860%0.626%0.259SS*.Hα-helixtrans-55.8-24.9-177.1-68.8-179.1-65.2-175.15.5114.8H126 F127 G128 G384 V385R124-H126 VanDerWaalsContact C-N 3.27Å; R124-F127 HydrophobicContact CB-CE2 4.06Å; R124-F127 HydrophobicContact CB-CZ 3.99Å; R124-F127 HydrophobicContact CG-CE1 4.21Å; R124-F127 HydrophobicContact CG-CE2 3.56Å; R124-F127 HydrophobicContact CG-CZ 3.28Å; R124-F127 VanDerWaalsContact N-CE1 3.35Å; R124-G128 WeakPolarHBondContact O-CA 3.36Å; R124-G128 PolarHBondContact O-N 3.41Å; R124-G384 WeakPolarHBondContact CD-O 3.47Å; R124-G384 PolarHBondContact NH1-O 2.78Å; R124-V385 HydrophobicContact CG-CG1 4.16Å
125R94.6Very high95.9Very high185 Ų18551 Ų5170%0.69825%0.25SC*.Hα-helixtrans-76.8-20.2177.1-58.7171.6-69.5-172.5-3.3111.9D123 Y129D123-R125 PolarHBondContact O-N 3.21Å; D123-R125 WeakPolarHBondContact OD1-CA 3.2Å; D123-R125 VanDerWaalsContact OD1-CB 3.26Å; D123-R125 WeakPolarHBondContact OD1-CB 3.16Å; D123-R125 PolarHBondContact OD1-N 3.16Å; D123-R125 IonicContact OD1-NE 3.33Å; D123-R125 PolarHBondContact OD1-NE 2.59Å; D123-R125 IonicContact OD2-CZ 3.79Å; D123-R125 IonicContact OD2-NE 3.72Å; D123-R125 PolarHBondContact OD2-NE 3.34Å; D123-R125 IonicContact OD2-NH2 3.13Å; D123-R125 PolarHBondContact OD2-NH2 3.23Å; R125-Y129 VanDerWaalsContact O-CE2 3.31Å; R125-Y129 WeakPolarHBondContact O-CE2 3.44Å
126H96.4Very high96Very high33 Ų3350.6 Ų50.615%0.15325%0.247CC..Hα-helixtrans-96.1-52.9176.3-59.675000110.1Y109 F116 N119 S120 D123 R124 G128 Y129Y109-H126 PolarHBondContact OH-O 2.65Å; F116-H126 AromaticContact CD1-CD2 3.95Å; F116-H126 HydrophobicContact CD2-CB 3.82Å; F116-H126 HydrophobicContact CE2-CB 4.19Å; F116-H126 WeakPolarHBondContact CE2-O 3.35Å; F116-H126 HydrophobicContact CG-CB 4.33Å; F116-H126 AromaticContact CG-CD2 3.66Å; N119-H126 WeakPolarHBondContact O-CB 3.48Å; N119-H126 PolarHBondContact O-CD2 2.88Å; S120-H126 CarbonylContact O-C 3.43Å; D123-H126 WeakPolarHBondContact O-CA 3.46Å; D123-H126 PolarHBondContact O-N 2.87Å; D123-H126 IonicContact OD1-CE1 2.7Å; D123-H126 IonicContact OD1-CG 3.82Å; D123-H126 PolarHBondContact OD1-N 2.8Å; D123-H126 IonicContact OD1-ND1 3.23Å; D123-H126 PolarHBondContact OD1-ND1 2.85Å; D123-H126 IonicContact OD2-CE1 2.99Å; D123-H126 IonicContact OD2-ND1 3.61Å; R124-H126 VanDerWaalsContact C-N 3.27Å; H126-G128 VanDerWaalsContact C-N 3.34Å; H126-G128 PolarHBondContact O-N 2.77Å; H126-Y129 WeakPolarHBondContact O-CD2 3.31Å
127F95.7Very high96Very high9 Ų949.4 Ų49.44%0.03924%0.243CC..Hα-helixtrans-83.8-7.3-17365.7-121000114.8S120 D123 R124 Y129 L130 L346 F383 V385S120-F127 WeakPolarHBondContact O-CA 3.44Å; S120-F127 VanDerWaalsContact O-CB 3.31Å; S120-F127 WeakPolarHBondContact O-CB 3.44Å; S120-F127 PolarHBondContact O-N 2.9Å; D123-F127 WeakPolarHBondContact O-CD1 3.35Å; D123-F127 WeakPolarHBondContact O-CG 3.49Å; D123-F127 PolarHBondContact O-N 2.84Å; R124-F127 HydrophobicContact CB-CE2 4.06Å; R124-F127 HydrophobicContact CB-CZ 3.99Å; R124-F127 HydrophobicContact CG-CE1 4.21Å; R124-F127 HydrophobicContact CG-CE2 3.56Å; R124-F127 HydrophobicContact CG-CZ 3.28Å; R124-F127 VanDerWaalsContact N-CE1 3.35Å; F127-Y129 PolarHBondContact O-N 3.08Å; F127-L130 WeakPolarHBondContact O-CB 3.43Å; F127-L130 PolarHBondContact O-N 3.39Å; F127-L346 HydrophobicContact CB-CD2 3.37Å; F127-L346 HydrophobicContact CD1-CD2 4.12Å; F127-L346 HydrophobicContact CD2-CD1 3.9Å; F127-L346 HydrophobicContact CD2-CD2 3.44Å; F127-L346 VanDerWaalsContact CD2-CD2 3.44Å; F127-L346 HydrophobicContact CD2-CG 4.24Å; F127-L346 HydrophobicContact CE2-CD1 3.81Å; F127-L346 HydrophobicContact CE2-CD2 4.2Å; F127-L346 HydrophobicContact CG-CD1 4.45Å; F127-L346 HydrophobicContact CG-CD2 3.39Å; F127-L346 HydrophobicContact CZ-CD1 4.29Å; F127-F383 HydrophobicContact CZ-CB 4.41Å; F127-F383 WeakPolarHBondContact CZ-O 3.26Å; F127-V385 HydrophobicContact CE2-CG1 3.86Å; F127-V385 HydrophobicContact CZ-CG1 4.21Å
128G95.6Very high96.2Very high37 Ų3747.9 Ų47.938%0.38123%0.228SC..THydrogen-bonded Turntrans-64-10.2-175.900000115.1R124 H126R124-G128 WeakPolarHBondContact O-CA 3.36Å; R124-G128 PolarHBondContact O-N 3.41Å; H126-G128 VanDerWaalsContact C-N 3.34Å; H126-G128 PolarHBondContact O-N 2.77Å
129Y97.5Very high96.5Very high41 Ų4139.9 Ų39.916%0.16119%0.185CC..THydrogen-bonded Turntrans-97.15.8176.7-44-82.9000113.7V43 D44 N50 R108 Y109 F116 R125 H126 F127 T131V43-Y129 HydrophobicContact CG1-CD1 4.11Å; 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 3.57Å; V43-Y129 HydrophobicContact CG1-CG 3.71Å; D44-Y129 HydrophobicContact CB-CD1 3.93Å; D44-Y129 HydrophobicContact CB-CE1 3.66Å; D44-Y129 WeakPolarHBondContact OD2-CE1 3.47Å; N50-Y129 PolarHBondContact ND2-OH 3.48Å; R108-Y129 WeakPolarHBondContact CD-O 3.31Å; R108-Y129 PolarHBondContact NH1-O 3.03Å; Y109-Y129 WeakPolarHBondContact OH-CB 3.13Å; F116-Y129 AromaticContact CE2-CD2 3.82Å; F116-Y129 HydrophobicContact CE2-CD2 3.82Å; F116-Y129 AromaticContact CE2-CE2 3.89Å; F116-Y129 HydrophobicContact CE2-CE2 3.89Å; F116-Y129 HydrophobicContact CZ-CD2 4.09Å; F116-Y129 AromaticContact CZ-CE2 3.72Å; F116-Y129 HydrophobicContact CZ-CE2 3.72Å; R125-Y129 VanDerWaalsContact O-CE2 3.31Å; R125-Y129 WeakPolarHBondContact O-CE2 3.44Å; H126-Y129 WeakPolarHBondContact O-CD2 3.31Å; F127-Y129 PolarHBondContact O-N 3.08Å; Y129-T131 VanDerWaalsContact C-N 3.33Å; Y129-T131 PolarHBondContact O-N 3.38Å; Y129-T131 VanDerWaalsContact O-N 3.16Å
130L97.6Very high96.7Very high0 Ų036.7 Ų36.70%017%0.168CC..  trans-81.779.6172178.346.9000109.4Y109 Y110 F121 F127 G343 L346 Q347 M350Y109-L130 HydrophobicContact CD1-CB 4.25Å; Y109-L130 HydrophobicContact CD1-CD2 4.42Å; Y109-L130 HydrophobicContact CD2-CB 3.6Å; Y109-L130 HydrophobicContact CD2-CD1 3.77Å; Y109-L130 HydrophobicContact CD2-CG 4.11Å; Y109-L130 HydrophobicContact CE1-CB 4.43Å; Y109-L130 HydrophobicContact CE2-CB 3.78Å; Y109-L130 HydrophobicContact CG-CB 3.87Å; Y109-L130 HydrophobicContact CG-CD1 4Å; Y109-L130 HydrophobicContact CG-CD2 4.04Å; Y109-L130 HydrophobicContact CG-CG 4.15Å; Y110-L130 HydrophobicContact CE2-CD1 4.11Å; F121-L130 HydrophobicContact CE1-CD2 4.1Å; F121-L130 HydrophobicContact CZ-CD2 4.44Å; F127-L130 WeakPolarHBondContact O-CB 3.43Å; F127-L130 PolarHBondContact O-N 3.39Å; L130-G343 WeakPolarHBondContact CD2-O 3.19Å; L130-L346 HydrophobicContact CD2-CD2 4.16Å; L130-Q347 HydrophobicContact CD1-CG 3.8Å; L130-Q347 HydrophobicContact CD2-CG 3.85Å; L130-Q347 HydrophobicContact CG-CG 3.5Å; L130-M350 HydrophobicContact CB-CE 4.32Å; L130-M350 WeakPolarHBondContact O-CE 3.4Å
131T97.6Very high96.9Very high30 Ų3040.4 Ų40.418%0.18419%0.187CC..SBendtrans-136.2154.5176.482.50000110.7Y129 E133 Q134 T135 E351Y129-T131 VanDerWaalsContact C-N 3.33Å; Y129-T131 PolarHBondContact O-N 3.38Å; Y129-T131 VanDerWaalsContact O-N 3.16Å; T131-E133 VanDerWaalsContact C-N 3.3Å; T131-E133 WeakPolarHBondContact CB-OE2 3.36Å; T131-E133 PolarHBondContact O-N 3.36Å; T131-E133 PolarHBondContact OG1-OE2 3.11Å; T131-Q134 PolarHBondContact O-N 3.43Å; T131-Q134 WeakPolarHBondContact OG1-CG 3.3Å; T131-Q134 PolarHBondContact OG1-N 2.72Å; T131-T135 PolarHBondContact O-N 3.13Å; T131-T135 PolarHBondContact O-OG1 3.14Å; T131-T135 VanDerWaalsContact O-OG1 3.13Å; T131-E351 WeakPolarHBondContact CA-OE1 3.45Å
132A97.8Very high97.1Very high0 Ų038 Ų380%018%0.177CC..Hα-helixtrans-61.5-39-179.900000111.4Q134 T135 L136 L169 W172 E351 M352 F396A132-Q134 VanDerWaalsContact C-N 3.33Å; A132-Q134 PolarHBondContact O-N 3.04Å; A132-T135 WeakPolarHBondContact O-CB 3.29Å; A132-T135 PolarHBondContact O-N 2.75Å; A132-L136 VanDerWaalsContact O-CG 3.25Å; A132-L136 WeakPolarHBondContact O-CG 3.37Å; A132-L136 PolarHBondContact O-N 3.33Å; A132-L169 HydrophobicContact CB-CD2 4.1Å; A132-W172 HydrophobicContact CB-CE3 4.3Å; A132-W172 HydrophobicContact CB-CZ3 3.97Å; A132-E351 PolarHBondContact N-OE1 2.69Å; A132-E351 PolarHBondContact N-OE2 2.92Å; A132-M352 HydrophobicContact CB-CE 3.83Å; A132-F396 HydrophobicContact CB-CE1 4.04Å; A132-F396 HydrophobicContact CB-CZ 3.74Å
133E98.2Very high97.4Very high21 Ų2131.6 Ų31.610%0.09815%0.149CC..Hα-helixtrans-62.6-40.8-179.4-49.588.4158.200111.9F46 T131 T135 L136 A137 W391 E395F46-E133 HydrophobicContact CE2-CB 3.71Å; F46-E133 HydrophobicContact CZ-CB 3.69Å; F46-E133 WeakPolarHBondContact CZ-O 3.49Å; T131-E133 VanDerWaalsContact C-N 3.3Å; T131-E133 WeakPolarHBondContact CB-OE2 3.36Å; T131-E133 PolarHBondContact O-N 3.36Å; T131-E133 PolarHBondContact OG1-OE2 3.11Å; E133-T135 VanDerWaalsContact C-N 3.32Å; E133-L136 PolarHBondContact O-N 3.39Å; E133-A137 PolarHBondContact O-N 3.34Å; E133-W391 VanDerWaalsContact OE1-CE2 3.31Å; E133-W391 WeakPolarHBondContact OE1-CZ2 3.49Å; E133-W391 PolarHBondContact OE1-NE1 3.04Å; E133-E395 HydrophobicContact CG-CG 3.81Å; E133-E395 WeakPolarHBondContact CG-OE1 3.49Å; E133-E395 WeakPolarHBondContact OE1-CG 3.44Å
134Q98.6Very high97.6Very high9 Ų932.7 Ų32.74%0.04216%0.155CC..Hα-helixtrans-63.6-42.8177.1-71.5-79.611.900110.5D44 H45 F46 R108 T131 A132 A137 D138D44-Q134 PolarHBondContact OD1-NE2 2.98Å; H45-Q134 PolarHBondContact CD2-O 2.64Å; H45-Q134 PolarHBondContact CD2-OE1 2.89Å; F46-Q134 HydrophobicContact CD2-CG 4.03Å; F46-Q134 HydrophobicContact CE2-CB 4.37Å; F46-Q134 HydrophobicContact CE2-CG 3.86Å; R108-Q134 VanDerWaalsContact CZ-CB 3.46Å; T131-Q134 PolarHBondContact O-N 3.43Å; T131-Q134 WeakPolarHBondContact OG1-CG 3.3Å; T131-Q134 PolarHBondContact OG1-N 2.72Å; A132-Q134 VanDerWaalsContact C-N 3.33Å; A132-Q134 PolarHBondContact O-N 3.04Å; Q134-A137 PolarHBondContact O-N 3.09Å; Q134-D138 PolarHBondContact O-N 2.97Å
135T98.7Very high97.8Very high0 Ų028 Ų280%014%0.14CC..Hα-helixtrans-63.6-43.7174.6-53.70000112.3H107 R108 T131 A132 E133 A137 D138 Y139H107-T135 HydrophobicContact CB-CG2 4.48Å; H107-T135 WeakPolarHBondContact CD2-CG2 3.41Å; H107-T135 PolarHBondContact CE1-OG1 3.09Å; H107-T135 WeakPolarHBondContact NE2-CG2 3.46Å; H107-T135 PolarHBondContact NE2-OG1 3.19Å; R108-T135 WeakPolarHBondContact CG-OG1 3.4Å; T131-T135 PolarHBondContact O-N 3.13Å; T131-T135 PolarHBondContact O-OG1 3.14Å; T131-T135 VanDerWaalsContact O-OG1 3.13Å; A132-T135 WeakPolarHBondContact O-CB 3.29Å; A132-T135 PolarHBondContact O-N 2.75Å; E133-T135 VanDerWaalsContact C-N 3.32Å; T135-A137 VanDerWaalsContact C-N 3.26Å; T135-A137 PolarHBondContact O-N 2.79Å; T135-D138 WeakPolarHBondContact O-CB 3.4Å; T135-D138 PolarHBondContact O-N 3.03Å; T135-D138 VanDerWaalsContact O-N 3.16Å; T135-Y139 HydrophobicContact CG2-CD2 4.1Å; T135-Y139 HydrophobicContact CG2-CE1 3.9Å; T135-Y139 HydrophobicContact CG2-CE2 3.37Å; T135-Y139 VanDerWaalsContact CG2-OH 3.23Å; T135-Y139 WeakPolarHBondContact CG2-OH 3.41Å; T135-Y139 PolarHBondContact O-N 3.02Å
136L98.8Very high97.9Very high2 Ų219.3 Ų19.31%0.0111%0.107CC..Hα-helixtrans-60.6-39.8177.6-67.6-176.3000111.1A132 E133 Y139 V140 L169 W172 I173 K176 Y177A132-L136 VanDerWaalsContact O-CG 3.25Å; A132-L136 WeakPolarHBondContact O-CG 3.37Å; A132-L136 PolarHBondContact O-N 3.33Å; E133-L136 PolarHBondContact O-N 3.39Å; L136-Y139 PolarHBondContact O-N 3.44Å; L136-V140 WeakPolarHBondContact O-CG2 3.33Å; L136-V140 PolarHBondContact O-N 3.05Å; L136-V140 VanDerWaalsContact O-N 3.14Å; L136-L169 HydrophobicContact CD2-CB 4.36Å; L136-L169 HydrophobicContact CD2-CD2 3.91Å; L136-L169 HydrophobicContact CG-CD2 4.39Å; L136-W172 HydrophobicContact CD1-CB 3.84Å; L136-I173 HydrophobicContact CD2-CB 3.75Å; L136-I173 HydrophobicContact CD2-CG1 4.18Å; L136-K176 HydrophobicContact CD1-CG 4.46Å; L136-Y177 HydrophobicContact CB-CE2 4.03Å
137A98.7Very high97.9Very high10 Ų1019 Ų198%0.08311%0.105CC..Hα-helixtrans-65.2-41.4174.800000112.2H45 F46 E133 Q134 T135 Y139 V140 L141H45-A137 HydrophobicContact CB-CB 4.01Å; H45-A137 VanDerWaalsContact CD2-CB 3.5Å; H45-A137 WeakPolarHBondContact CD2-CB 3.45Å; F46-A137 HydrophobicContact CZ-CB 4.29Å; E133-A137 PolarHBondContact O-N 3.34Å; Q134-A137 PolarHBondContact O-N 3.09Å; T135-A137 VanDerWaalsContact C-N 3.26Å; T135-A137 PolarHBondContact O-N 2.79Å; A137-Y139 VanDerWaalsContact C-N 3.34Å; A137-Y139 PolarHBondContact O-N 3Å; A137-V140 PolarHBondContact O-N 3.09Å; A137-L141 WeakPolarHBondContact O-CB 3.31Å; A137-L141 VanDerWaalsContact O-CG 3.31Å; A137-L141 WeakPolarHBondContact O-CG 3.36Å; A137-L141 PolarHBondContact O-N 3.06Å
138D98.8Very high97.9Very high0 Ų022.3 Ų22.30%014%0.135CC..Hα-helixtrans-55.8-47.9173.1-73-35.4000112.1F39 T41 H45 I56 R108 Q134 T135 V140 L141 L142F39-D138 HydrophobicContact CZ-CB 4.05Å; F39-D138 WeakPolarHBondContact CZ-O 3.36Å; T41-D138 WeakPolarHBondContact CG2-OD1 3.35Å; T41-D138 PolarHBondContact OG1-OD1 3.15Å; H45-D138 IonicContact CD2-OD1 3.92Å; H45-D138 IonicContact CE1-OD1 3.02Å; H45-D138 IonicContact NE2-OD1 2.67Å; H45-D138 PolarHBondContact NE2-OD1 3.14Å; I56-D138 HydrophobicContact CD1-CB 3.54Å; I56-D138 VanDerWaalsContact CD1-OD2 3.27Å; I56-D138 WeakPolarHBondContact CD1-OD2 3.35Å; R108-D138 IonicContact CZ-OD2 3.71Å; R108-D138 IonicContact NE-OD2 2.76Å; R108-D138 PolarHBondContact NE-OD2 3.42Å; R108-D138 IonicContact NH2-OD1 3.46Å; R108-D138 PolarHBondContact NH2-OD1 3.37Å; R108-D138 IonicContact NH2-OD2 2.72Å; R108-D138 PolarHBondContact NH2-OD2 3.23Å; Q134-D138 PolarHBondContact O-N 2.97Å; T135-D138 WeakPolarHBondContact O-CB 3.4Å; T135-D138 PolarHBondContact O-N 3.03Å; T135-D138 VanDerWaalsContact O-N 3.16Å; D138-V140 PolarHBondContact O-N 3.49Å; D138-L141 PolarHBondContact O-N 3.1Å; D138-L142 WeakPolarHBondContact O-CB 3.48Å; D138-L142 PolarHBondContact O-N 3.21Å
139Y98.9Very high97.8Very high0 Ų025.5 Ų25.50%014%0.143CC..Hα-helixtrans-62.3-44.3-179.4-64.2-21.5000112.3F73 T75 G76 A105 H107 T135 L136 A137 L141 L142 I143 L169 I173F73-Y139 HydrophobicContact CE1-CD1 4.07Å; F73-Y139 HydrophobicContact CE1-CD2 4.28Å; F73-Y139 AromaticContact CE1-CG 3.78Å; F73-Y139 HydrophobicContact CE1-CG 3.78Å; F73-Y139 AromaticContact CZ-CD1 3.96Å; F73-Y139 HydrophobicContact CZ-CD1 3.96Å; F73-Y139 AromaticContact CZ-CG 3.98Å; F73-Y139 HydrophobicContact CZ-CG 3.98Å; T75-Y139 HydrophobicContact CG2-CD2 3.78Å; T75-Y139 HydrophobicContact CG2-CE2 3.97Å; G76-Y139 PolarHBondContact N-OH 2.78Å; G76-Y139 PolarHBondContact O-OH 2.89Å; A105-Y139 HydrophobicContact CB-CD1 3.71Å; A105-Y139 HydrophobicContact CB-CE1 3.68Å; H107-Y139 WeakPolarHBondContact CA-OH 3.47Å; T135-Y139 HydrophobicContact CG2-CD2 4.1Å; T135-Y139 HydrophobicContact CG2-CE1 3.9Å; T135-Y139 HydrophobicContact CG2-CE2 3.37Å; T135-Y139 VanDerWaalsContact CG2-OH 3.23Å; T135-Y139 WeakPolarHBondContact CG2-OH 3.41Å; T135-Y139 PolarHBondContact O-N 3.02Å; L136-Y139 PolarHBondContact O-N 3.44Å; A137-Y139 VanDerWaalsContact C-N 3.34Å; A137-Y139 PolarHBondContact O-N 3Å; Y139-L141 VanDerWaalsContact C-N 3.34Å; Y139-L141 PolarHBondContact O-N 2.7Å; Y139-L142 PolarHBondContact O-N 3.19Å; Y139-I143 WeakPolarHBondContact O-CD1 3.48Å; Y139-I143 VanDerWaalsContact O-CG1 3.25Å; Y139-I143 WeakPolarHBondContact O-CG1 3.29Å; Y139-I143 PolarHBondContact O-N 3.36Å; Y139-L169 HydrophobicContact CE2-CD1 4.27Å; Y139-I173 HydrophobicContact CD2-CD1 4.35Å
140V98.7Very high97.6Very high13 Ų1326.5 Ų26.58%0.07915%0.147CC..Hα-helixtrans-64.8-39.2177.1173.50000111.7L136 A137 D138 I143 N144 I173 Y177 Q180L136-V140 WeakPolarHBondContact O-CG2 3.33Å; L136-V140 PolarHBondContact O-N 3.05Å; L136-V140 VanDerWaalsContact O-N 3.14Å; A137-V140 PolarHBondContact O-N 3.09Å; D138-V140 PolarHBondContact O-N 3.49Å; V140-I143 PolarHBondContact O-N 3.16Å; V140-N144 VanDerWaalsContact O-CG 3.24Å; V140-N144 PolarHBondContact O-N 3.35Å; V140-N144 PolarHBondContact O-ND2 3.02Å; V140-I173 HydrophobicContact CG2-CD1 4.07Å; V140-I173 HydrophobicContact CG2-CG1 4.12Å; V140-Y177 HydrophobicContact CG1-CD1 4.39Å; V140-Y177 HydrophobicContact CG2-CD1 3.94Å; V140-Y177 HydrophobicContact CG2-CD2 3.59Å; V140-Y177 HydrophobicContact CG2-CE1 4.3Å; V140-Y177 HydrophobicContact CG2-CE2 4Å; V140-Y177 HydrophobicContact CG2-CG 3.55Å; V140-Q180 HydrophobicContact CG1-CG 4.11Å
141L98.5Very high97.3Very high77 Ų7731.7 Ų31.740%0.40318%0.183SC..Hα-helixtrans-67.1-40.8176.9-72.1172.1000112.1H45 A137 D138 Y139 N144 Q145H45-L141 WeakPolarHBondContact CE1-CD1 3.45Å; A137-L141 WeakPolarHBondContact O-CB 3.31Å; A137-L141 VanDerWaalsContact O-CG 3.31Å; A137-L141 WeakPolarHBondContact O-CG 3.36Å; A137-L141 PolarHBondContact O-N 3.06Å; D138-L141 PolarHBondContact O-N 3.1Å; Y139-L141 VanDerWaalsContact C-N 3.34Å; Y139-L141 PolarHBondContact O-N 2.7Å; L141-N144 PolarHBondContact O-N 2.66Å; L141-Q145 WeakPolarHBondContact O-CB 3.42Å; L141-Q145 PolarHBondContact O-N 3.34Å
142L98.7Very high97Very high0 Ų032.6 Ų32.60%019%0.19CC..Hα-helixtrans-59.7-48.1172.5174.656.2000111.2F39 Y58 F73 V103 A105 D138 Y139 N144 Q145 L146F39-L142 HydrophobicContact CB-CD1 3.93Å; F39-L142 HydrophobicContact CD1-CB 3.98Å; F39-L142 HydrophobicContact CD1-CD1 3.67Å; F39-L142 HydrophobicContact CD1-CD2 3.92Å; F39-L142 HydrophobicContact CD1-CG 4.05Å; F39-L142 HydrophobicContact CD2-CB 4.38Å; F39-L142 HydrophobicContact CE1-CB 3.66Å; F39-L142 HydrophobicContact CE1-CD1 4.24Å; F39-L142 HydrophobicContact CE1-CD2 3.84Å; F39-L142 HydrophobicContact CE1-CG 4.11Å; F39-L142 HydrophobicContact CE2-CB 4.13Å; F39-L142 HydrophobicContact CG-CB 4.31Å; F39-L142 HydrophobicContact CG-CD1 3.83Å; F39-L142 HydrophobicContact CZ-CB 3.78Å; Y58-L142 HydrophobicContact CD1-CD1 3.89Å; Y58-L142 HydrophobicContact CD1-CD2 4.26Å; Y58-L142 HydrophobicContact CE1-CD1 3.89Å; Y58-L142 HydrophobicContact CG-CD1 4.22Å; Y58-L142 HydrophobicContact CG-CD2 4.02Å; F73-L142 HydrophobicContact CE2-CD2 3.96Å; F73-L142 HydrophobicContact CE2-CG 4.29Å; F73-L142 HydrophobicContact CZ-CD2 4.18Å; V103-L142 HydrophobicContact CG1-CD2 4.42Å; A105-L142 HydrophobicContact CB-CD2 3.64Å; D138-L142 WeakPolarHBondContact O-CB 3.48Å; D138-L142 PolarHBondContact O-N 3.21Å; Y139-L142 PolarHBondContact O-N 3.19Å; L142-N144 VanDerWaalsContact C-N 3.29Å; L142-N144 PolarHBondContact O-N 3.44Å; L142-Q145 PolarHBondContact O-N 3.01Å; L142-L146 HydrophobicContact CD1-CD1 4.02Å; L142-L146 HydrophobicContact CD1-CD2 4.41Å; L142-L146 HydrophobicContact CD1-CG 3.93Å; L142-L146 HydrophobicContact CG-CD1 4.05Å; L142-L146 HydrophobicContact CG-CG 4.4Å; L142-L146 VanDerWaalsContact O-CG 3.3Å; L142-L146 WeakPolarHBondContact O-CG 3.26Å; L142-L146 PolarHBondContact O-N 2.98Å
143I98.5Very high96.9Very high1 Ų132.6 Ų32.61%0.00519%0.19CC..Hα-helixtrans-55.4-46.8176.6-71.8160.9000110.5F73 Y139 V140 L146 K147 V158 I181F73-I143 HydrophobicContact CD1-CD1 4.44Å; F73-I143 HydrophobicContact CD2-CD1 4.08Å; F73-I143 HydrophobicContact CD2-CG1 3.69Å; F73-I143 HydrophobicContact CE1-CD1 4.49Å; F73-I143 HydrophobicContact CE2-CD1 4.12Å; F73-I143 HydrophobicContact CE2-CG1 3.63Å; F73-I143 HydrophobicContact CG-CD1 4.23Å; F73-I143 HydrophobicContact CG-CG1 4.33Å; F73-I143 HydrophobicContact CZ-CD1 4.32Å; F73-I143 HydrophobicContact CZ-CG1 4.23Å; Y139-I143 WeakPolarHBondContact O-CD1 3.48Å; Y139-I143 VanDerWaalsContact O-CG1 3.25Å; Y139-I143 WeakPolarHBondContact O-CG1 3.29Å; Y139-I143 PolarHBondContact O-N 3.36Å; V140-I143 PolarHBondContact O-N 3.16Å; I143-L146 PolarHBondContact O-N 3.29Å; I143-K147 HydrophobicContact CG2-CD 4.3Å; I143-K147 WeakPolarHBondContact O-CG 3.28Å; I143-K147 PolarHBondContact O-N 3.39Å; I143-V158 HydrophobicContact CD1-CG1 3.98Å; I143-V158 HydrophobicContact CG1-CG1 4.4Å; I143-V158 HydrophobicContact CG2-CG2 3.81Å; I143-I181 HydrophobicContact CD1-CD1 3.62Å
144N97.8Very high96.6Very high60 Ų6034.8 Ų34.832%0.32121%0.212SC..Hα-helixtrans-64-42.1178.8-70.8-24.2000112.2V140 L141 L142 K147 A148 Q180V140-N144 VanDerWaalsContact O-CG 3.24Å; V140-N144 PolarHBondContact O-N 3.35Å; V140-N144 PolarHBondContact O-ND2 3.02Å; L141-N144 PolarHBondContact O-N 2.66Å; L142-N144 VanDerWaalsContact C-N 3.29Å; L142-N144 PolarHBondContact O-N 3.44Å; N144-K147 PolarHBondContact O-N 2.96Å; N144-A148 WeakPolarHBondContact O-CB 3.26Å; N144-A148 PolarHBondContact O-N 3.04Å; N144-Q180 PolarHBondContact OD1-OE1 2.8Å
145Q97.4Very high96.2Very high61 Ų6137.6 Ų37.629%0.28523%0.232SC..Hα-helixtrans-62.7-42.5176.2-179.3179.1-29.700111.3L141 L142 A148 N149L141-Q145 WeakPolarHBondContact O-CB 3.42Å; L141-Q145 PolarHBondContact O-N 3.34Å; L142-Q145 PolarHBondContact O-N 3.01Å; Q145-A148 PolarHBondContact O-N 3.07Å; Q145-N149 VanDerWaalsContact O-CB 3.3Å; Q145-N149 WeakPolarHBondContact O-CB 3.41Å; Q145-N149 PolarHBondContact O-N 2.95Å; Q145-N149 PolarHBondContact O-OD1 3.39Å
146L97.4Very high96.1Very high1 Ų137.6 Ų37.61%0.00523%0.232CC..Hα-helixtrans-61.9-44.9175.8-69.5172.6000111.1Y58 I60 V103 L142 I143 A148 N149 Y150 F153Y58-L146 HydrophobicContact CE2-CD2 4.03Å; I60-L146 HydrophobicContact CD1-CD2 4.12Å; V103-L146 HydrophobicContact CG1-CD1 4.08Å; V103-L146 HydrophobicContact CG2-CD1 3.87Å; L142-L146 HydrophobicContact CD1-CD1 4.02Å; L142-L146 HydrophobicContact CD1-CD2 4.41Å; L142-L146 HydrophobicContact CD1-CG 3.93Å; L142-L146 HydrophobicContact CG-CD1 4.05Å; L142-L146 HydrophobicContact CG-CG 4.4Å; L142-L146 VanDerWaalsContact O-CG 3.3Å; L142-L146 WeakPolarHBondContact O-CG 3.26Å; L142-L146 PolarHBondContact O-N 2.98Å; I143-L146 PolarHBondContact O-N 3.29Å; L146-A148 VanDerWaalsContact C-N 3.27Å; L146-A148 PolarHBondContact O-N 3.3Å; L146-N149 PolarHBondContact O-N 2.69Å; L146-Y150 HydrophobicContact CD2-CD2 4.15Å; L146-Y150 HydrophobicContact CD2-CE2 3.74Å; L146-Y150 WeakPolarHBondContact O-CD2 3.35Å; L146-Y150 PolarHBondContact O-N 3.18Å; L146-F153 HydrophobicContact CB-CD2 4.16Å
147K96.3Very high96Very high27 Ų2737.5 Ų37.512%0.11723%0.232CC..Hα-helixtrans-63.7-30.9176.7-71.9-173.9169.6-1720113.6I143 N144 F153 S156I143-K147 HydrophobicContact CG2-CD 4.3Å; I143-K147 WeakPolarHBondContact O-CG 3.28Å; I143-K147 PolarHBondContact O-N 3.39Å; N144-K147 PolarHBondContact O-N 2.96Å; K147-F153 HydrophobicContact CG-CB 4.19Å; K147-F153 WeakPolarHBondContact CG-O 3.43Å; K147-S156 VanDerWaalsContact CE-O 3.26Å; K147-S156 WeakPolarHBondContact CE-O 3.24Å; K147-S156 PolarHBondContact NZ-O 3.25Å
148A95.9Very high96Very high79 Ų7937 Ų3765%0.65323%0.228SC*.Hα-helixtrans-77.1-41.417500000112.3N144 Q145 L146N144-A148 WeakPolarHBondContact O-CB 3.26Å; N144-A148 PolarHBondContact O-N 3.04Å; Q145-A148 PolarHBondContact O-N 3.07Å; L146-A148 VanDerWaalsContact C-N 3.27Å; L146-A148 PolarHBondContact O-N 3.3Å
149N94.4Very high96Very high104 Ų10437 Ų3756%0.55623%0.228SC*.Hα-helixtrans-77.4-33.6-175.1-72.1-2.8000112.9Q145 L146Q145-N149 VanDerWaalsContact O-CB 3.3Å; Q145-N149 WeakPolarHBondContact O-CB 3.41Å; Q145-N149 PolarHBondContact O-N 2.95Å; Q145-N149 PolarHBondContact O-OD1 3.39Å; L146-N149 PolarHBondContact O-N 2.69Å
150Y92.9Very high96Very high61 Ų6137 Ų3724%0.23923%0.228CC..  trans-109.9101.5177.2-58.6-82.3000108.6K37 I60 L146 C152 F153K37-Y150 PolarHBondContact NZ-OH 2.72Å; K37-Y150 VanDerWaalsContact NZ-OH 3.09Å; I60-Y150 HydrophobicContact CD1-CE2 4.33Å; L146-Y150 HydrophobicContact CD2-CD2 4.15Å; L146-Y150 HydrophobicContact CD2-CE2 3.74Å; L146-Y150 WeakPolarHBondContact O-CD2 3.35Å; L146-Y150 PolarHBondContact O-N 3.18Å; Y150-C152 PolarHBondContact O-N 3.41Å; Y150-F153 AromaticContact CD2-CD2 3.86Å; Y150-F153 HydrophobicContact CD2-CD2 3.86Å; Y150-F153 AromaticContact CD2-CE2 3.74Å; Y150-F153 HydrophobicContact CD2-CE2 3.74Å; Y150-F153 HydrophobicContact CE2-CE2 4.45Å; Y150-F153 HydrophobicContact CG-CD2 4.04Å; Y150-F153 AromaticContact CG-CE2 3.99Å; Y150-F153 HydrophobicContact CG-CE2 3.99Å; Y150-F153 WeakPolarHBondContact O-CB 3.45Å; Y150-F153 PolarHBondContact O-N 3.16Å
151S90.3Very high96Very high109 Ų10936.4 Ų36.476%0.76222%0.224SC*.G310 helixtrans-55.7-29.5-178.357.90000113.2F153 A154S151-F153 PolarHBondContact O-N 3.03Å; S151-A154 WeakPolarHBondContact O-CB 3.08Å; S151-A154 PolarHBondContact O-N 2.87Å
152C91.3Very high96Very high49 Ų4932.7 Ų32.733%0.33121%0.205SC..G310 helixtrans-68.8-15.917662.60000114.2F65 Y150F65-C152 HydrophobicContact CE1-CB 3.8Å; F65-C152 HydrophobicContact CZ-CB 4.49Å; F65-C152 WeakPolarHBondContact CZ-O 3.38Å; Y150-C152 PolarHBondContact O-N 3.41Å
153F95.2Very high96Very high0 Ų032.8 Ų32.80%021%0.205CC..G310 helixtrans-90.4-10.3176.3-69.7-3.9000113.8I60 N62 F65 I71 S101 L146 K147 Y150 S151 S155 S156I60-F153 HydrophobicContact CD1-CE2 4.41Å; N62-F153 WeakPolarHBondContact OD1-CZ 3.49Å; F65-F153 HydrophobicContact CD1-CD1 4.35Å; F65-F153 AromaticContact CD1-CE1 3.78Å; F65-F153 HydrophobicContact CD1-CE1 3.78Å; F65-F153 HydrophobicContact CD2-CD1 4.42Å; F65-F153 AromaticContact CD2-CE1 3.83Å; F65-F153 HydrophobicContact CD2-CE1 3.83Å; F65-F153 AromaticContact CE1-CD1 3.76Å; F65-F153 HydrophobicContact CE1-CD1 3.76Å; F65-F153 AromaticContact CE1-CE1 3.66Å; F65-F153 HydrophobicContact CE1-CE1 3.66Å; F65-F153 AromaticContact CE2-CD1 3.79Å; F65-F153 HydrophobicContact CE2-CD1 3.79Å; F65-F153 AromaticContact CE2-CE1 3.67Å; F65-F153 HydrophobicContact CE2-CE1 3.67Å; F65-F153 AromaticContact CG-CE1 3.86Å; F65-F153 HydrophobicContact CG-CE1 3.86Å; 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 3.59Å; F65-F153 HydrophobicContact CZ-CE1 3.59Å; I71-F153 HydrophobicContact CD1-CB 4.16Å; I71-F153 HydrophobicContact CD1-CD2 3.84Å; I71-F153 HydrophobicContact CD1-CE2 4.37Å; I71-F153 HydrophobicContact CD1-CG 3.97Å; I71-F153 HydrophobicContact CG1-CD2 4.48Å; I71-F153 HydrophobicContact CG1-CG 4.45Å; S101-F153 WeakPolarHBondContact OG-CZ 3.4Å; L146-F153 HydrophobicContact CB-CD2 4.16Å; K147-F153 HydrophobicContact CG-CB 4.19Å; K147-F153 WeakPolarHBondContact CG-O 3.43Å; Y150-F153 AromaticContact CD2-CD2 3.86Å; Y150-F153 HydrophobicContact CD2-CD2 3.86Å; Y150-F153 AromaticContact CD2-CE2 3.74Å; Y150-F153 HydrophobicContact CD2-CE2 3.74Å; Y150-F153 HydrophobicContact CE2-CE2 4.45Å; Y150-F153 HydrophobicContact CG-CD2 4.04Å; Y150-F153 AromaticContact CG-CE2 3.99Å; Y150-F153 HydrophobicContact CG-CE2 3.99Å; Y150-F153 WeakPolarHBondContact O-CB 3.45Å; Y150-F153 PolarHBondContact O-N 3.16Å; S151-F153 PolarHBondContact O-N 3.03Å; F153-S155 PolarHBondContact O-N 3.4Å; F153-S156 WeakPolarHBondContact O-CB 3.37Å; F153-S156 PolarHBondContact O-N 3.04Å
154A92Very high96Very high67 Ų6733 Ų3355%0.55421%0.207SC*.THydrogen-bonded Turntrans-52.5-39.4-169.300000113.5S151S151-A154 WeakPolarHBondContact O-CB 3.08Å; S151-A154 PolarHBondContact O-N 2.87Å
155S91Very high95.9Very high68 Ų6830.1 Ų30.148%0.47619%0.192SC..THydrogen-bonded Turntrans-101.91.3177.462.20000114.4F153F153-S155 PolarHBondContact O-N 3.4Å
156S96.3Very high96Very high0 Ų027.2 Ų27.20%018%0.178CC..  trans-65130.1-174.1-72.40000111.6G69 K147 F153G69-S156 VanDerWaalsContact O-CB 3.27Å; G69-S156 WeakPolarHBondContact O-CB 3.3Å; G69-S156 PolarHBondContact O-OG 3.06Å; K147-S156 VanDerWaalsContact CE-O 3.26Å; K147-S156 WeakPolarHBondContact CE-O 3.24Å; K147-S156 PolarHBondContact NZ-O 3.25Å; F153-S156 WeakPolarHBondContact O-CB 3.37Å; F153-S156 PolarHBondContact O-N 3.04Å
157P97.4Very high96.1Very high0 Ų027.1 Ų27.10%018%0.178CC..  trans-64.3146.6166.520.4-23.7000110P70 I71 A182 I471 W474P70-P157 CarbonylContact C-O 3.56Å; P70-P157 VanDerWaalsContact CA-O 3.24Å; P70-P157 WeakPolarHBondContact CA-O 3.35Å; P70-P157 HydrophobicContact CB-CG 4.09Å; I71-P157 PolarHBondContact N-O 3.29Å; P157-A182 HydrophobicContact CB-CB 3.89Å; P157-I471 HydrophobicContact CB-CG1 4.5Å; P157-I471 HydrophobicContact CG-CB 4.26Å; P157-I471 HydrophobicContact CG-CG1 4.01Å; P157-I471 HydrophobicContact CG-CG2 3.96Å; P157-W474 HydrophobicContact CB-CB 3.97Å; P157-W474 HydrophobicContact CB-CD2 4.3Å; P157-W474 HydrophobicContact CB-CG 3.69Å
158V98.7Very high96.2Very high0 Ų025.9 Ų25.90%017%0.172CC..EExtended strand (participates in β ladder)trans-111128175.8-174.80000109I71 F73 I143 I181 A182I71-V158 HydrophobicContact CB-CG2 4.31Å; I71-V158 HydrophobicContact CD1-CG2 4.34Å; I71-V158 WeakPolarHBondContact O-CA 3.5Å; F73-V158 HydrophobicContact CB-CG1 3.76Å; F73-V158 HydrophobicContact CG-CG1 4.46Å; I143-V158 HydrophobicContact CD1-CG1 3.98Å; I143-V158 HydrophobicContact CG1-CG1 4.4Å; 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 3.36Å; V158-A182 PolarHBondContact O-N 3.2Å
159I98.9Very high96.3Very high0 Ų022.1 Ų22.10%014%0.141CC..EExtended strand (participates in β ladder)trans-112.4117.2175.8-52.2-63.4000107.3P70 I71 L72 F73 F161 A182 G183 I467 W470 I471P70-I159 HydrophobicContact CB-CG1 4.38Å; I71-I159 PolarHBondContact O-N 3.09Å; L72-I159 HydrophobicContact CD2-CB 4.23Å; L72-I159 HydrophobicContact CD2-CG1 4.43Å; F73-I159 PolarHBondContact N-O 3.4Å; I159-F161 HydrophobicContact CB-CE2 3.88Å; I159-F161 HydrophobicContact CG2-CD2 4.16Å; I159-F161 HydrophobicContact CG2-CE2 3.44Å; I159-F161 VanDerWaalsContact CG2-CE2 3.44Å; I159-F161 HydrophobicContact CG2-CZ 3.83Å; I159-F161 WeakPolarHBondContact O-CD2 3.38Å; I159-A182 HydrophobicContact CD1-CB 4.01Å; I159-G183 WeakPolarHBondContact CA-O 3.26Å; I159-I467 HydrophobicContact CD1-CG2 4.46Å; I159-I467 HydrophobicContact CG1-CG2 4.1Å; I159-I467 HydrophobicContact CG2-CD1 4.47Å; I159-I467 HydrophobicContact CG2-CG1 4.05Å; I159-W470 HydrophobicContact CD1-CB 4.35Å; I159-W470 HydrophobicContact CD1-CE3 4.28Å; I159-I471 HydrophobicContact CD1-CG1 4.35Å
160A98.9Very high96.5Very high0 Ų017.2 Ų17.20%012%0.115CC..EExtended strand (participates in β ladder)trans-81.1140.7178.500000110.7F73 T75 I173 I181 G183 A184 I185F73-A160 CarbonylContact O-C 3.51Å; F73-A160 VanDerWaalsContact O-CA 3.28Å; F73-A160 WeakPolarHBondContact O-CA 3.45Å; T75-A160 HydrophobicContact CG2-CB 4.48Å; A160-I173 HydrophobicContact CB-CG2 3.75Å; A160-I181 HydrophobicContact CB-CG2 3.94Å; A160-G183 PolarHBondContact N-O 3.19Å; A160-A184 HydrophobicContact CB-CB 4.03Å; A160-A184 CarbonylContact O-C 3.59Å; A160-A184 VanDerWaalsContact O-CA 3.26Å; A160-A184 WeakPolarHBondContact O-CA 3.23Å; A160-I185 PolarHBondContact O-N 3.43Å
161F98.9Very high96.8Very high0 Ų014.3 Ų14.30%010%0.103CC..EExtended strand (participates in β ladder)trans-131.5145.3174.1-68.6-100.4000110.3L72 F73 Y74 T75 I91 L94 I159 S170 I185 L445 I467L72-F161 HydrophobicContact CB-CD2 4.31Å; L72-F161 HydrophobicContact CB-CE2 3.87Å; L72-F161 HydrophobicContact CD2-CE2 3.84Å; L72-F161 HydrophobicContact CD2-CZ 4.27Å; L72-F161 HydrophobicContact CG-CE2 4.29Å; F73-F161 PolarHBondContact O-N 3.3Å; Y74-F161 CarbonylContact C-O 3.5Å; Y74-F161 VanDerWaalsContact CA-O 3.26Å; Y74-F161 WeakPolarHBondContact CA-O 3.25Å; Y74-F161 HydrophobicContact CD2-CB 4.12Å; T75-F161 PolarHBondContact N-O 2.79Å; T75-F161 PolarHBondContact OG1-O 3.42Å; I91-F161 HydrophobicContact CD1-CB 3.55Å; I91-F161 HydrophobicContact CD1-CD1 3.97Å; I91-F161 HydrophobicContact CD1-CD2 4.38Å; I91-F161 HydrophobicContact CD1-CG 3.73Å; I91-F161 HydrophobicContact CG1-CB 4.37Å; I91-F161 HydrophobicContact CG1-CD1 3.85Å; I91-F161 HydrophobicContact CG1-CE1 4.22Å; I91-F161 HydrophobicContact CG1-CG 4.03Å; L94-F161 HydrophobicContact CD1-CE1 4Å; L94-F161 HydrophobicContact CD1-CZ 3.9Å; I159-F161 HydrophobicContact CB-CE2 3.88Å; I159-F161 HydrophobicContact CG2-CD2 4.16Å; I159-F161 HydrophobicContact CG2-CE2 3.44Å; I159-F161 VanDerWaalsContact CG2-CE2 3.44Å; I159-F161 HydrophobicContact CG2-CZ 3.83Å; I159-F161 WeakPolarHBondContact O-CD2 3.38Å; F161-S170 WeakPolarHBondContact CA-OG 3.47Å; F161-S170 PolarHBondContact N-OG 2.82Å; F161-S170 PolarHBondContact O-OG 3.46Å; F161-I185 HydrophobicContact CD1-CB 3.71Å; F161-I185 HydrophobicContact CD1-CG1 3.72Å; F161-I185 HydrophobicContact CD1-CG2 4.35Å; F161-I185 HydrophobicContact CE1-CB 4.02Å; F161-I185 HydrophobicContact CE1-CG1 3.48Å; F161-I185 VanDerWaalsContact CE1-CG1 3.48Å; F161-I185 HydrophobicContact CG-CB 4.41Å; F161-I185 HydrophobicContact CZ-CG1 4.11Å; F161-L445 HydrophobicContact CD1-CD2 4.25Å; F161-I467 HydrophobicContact CE1-CD1 4Å; F161-I467 HydrophobicContact CZ-CD1 3.62Å
162G98.8Very high97.2Very high0 Ų09.2 Ų9.20%07%0.068CC..EExtended strand (participates in β ladder)trans-170.5150.6168.900000112.1G166 G167 S170 I185 S187G162-G166 VanDerWaalsContact CA-C 3.46Å; G162-G167 VanDerWaalsContact C-CA 3.44Å; G162-G167 WeakPolarHBondContact O-CA 3.46Å; G162-G167 PolarHBondContact O-N 3.2Å; G162-S170 PolarHBondContact N-OG 2.85Å; G162-I185 PolarHBondContact N-O 3.44Å; G162-I185 VanDerWaalsContact N-O 3.16Å; G162-S187 PolarHBondContact O-N 2.91Å
163G98.1Very high97.5Very high1 Ų16.9 Ų6.91%0.015%0.052CC..EExtended strand (participates in β ladder)trans-104.6152.8170.200000110.3Y74 Y165 G166 G167 S187Y74-G163 PolarHBondContact OH-N 2.66Å; G163-Y165 PolarHBondContact O-N 2.85Å; G163-G166 CarbonylContact O-C 3.5Å; G163-G166 VanDerWaalsContact O-CA 3.23Å; G163-G166 WeakPolarHBondContact O-CA 3.35Å; G163-G166 PolarHBondContact O-N 3.05Å; G163-G167 PolarHBondContact O-N 3.17Å; G163-G167 VanDerWaalsContact O-N 3.12Å; G163-S187 CarbonylContact C-O 3.47Å; G163-S187 VanDerWaalsContact CA-O 3.25Å; G163-S187 WeakPolarHBondContact CA-O 3.42Å
164S97Very high97.7Very high5 Ų57.5 Ų7.54%0.0355%0.054CC..THydrogen-bonded Turntrans59.2-133.7175.9-166.40000112.2G166 G167 M168 S187 S188 H441S164-G166 PolarHBondContact O-N 2.77Å; S164-G167 WeakPolarHBondContact O-CA 3.41Å; S164-G167 PolarHBondContact O-N 3.11Å; S164-M168 PolarHBondContact O-N 3.45Å; S164-M168 VanDerWaalsContact O-N 3.12Å; S164-S187 PolarHBondContact N-O 3.02Å; S164-S187 VanDerWaalsContact N-O 3.09Å; S164-S188 WeakPolarHBondContact CA-O 3.39Å; S164-H441 VanDerWaalsContact CB-NE2 3.27Å; S164-H441 WeakPolarHBondContact CB-NE2 3.13Å; S164-H441 PolarHBondContact OG-NE2 3.2Å
165Y97.5Very high97.9Very high0 Ų05.3 Ų5.30%03%0.032CC..Hα-helixtrans-55.3-34.7168.4174-134000112.9N77 E78 H107 G163 G167 M168 L169 W172 W344 Q347 M352N77-Y165 HydrophobicContact CB-CD1 3.76Å; N77-Y165 HydrophobicContact CB-CG 4.33Å; E78-Y165 WeakPolarHBondContact OE2-CB 3.27Å; E78-Y165 WeakPolarHBondContact OE2-CD1 3.49Å; H107-Y165 AromaticContact CD2-CE1 3.66Å; H107-Y165 AromaticContact NE2-CE1 3.42Å; H107-Y165 WeakPolarHBondContact NE2-CE1 3.32Å; H107-Y165 AromaticContact NE2-CZ 3.63Å; H107-Y165 PolarHBondContact NE2-OH 3.06Å; G163-Y165 PolarHBondContact O-N 2.85Å; Y165-G167 PolarHBondContact O-N 3.27Å; Y165-M168 HydrophobicContact CD2-CB 4.32Å; Y165-M168 HydrophobicContact CD2-SD 4.12Å; Y165-M168 WeakPolarHBondContact O-CA 3.45Å; Y165-M168 VanDerWaalsContact O-CB 3.31Å; Y165-M168 WeakPolarHBondContact O-CB 3.44Å; Y165-M168 PolarHBondContact O-N 3.16Å; Y165-L169 HydrophobicContact CD1-CD1 4.08Å; Y165-L169 HydrophobicContact CD2-CD1 4.47Å; Y165-L169 HydrophobicContact CD2-CG 4.19Å; Y165-L169 HydrophobicContact CE1-CD1 3.76Å; Y165-L169 HydrophobicContact CE1-CG 4.34Å; Y165-L169 HydrophobicContact CE2-CD1 4.17Å; Y165-L169 HydrophobicContact CE2-CD2 3.94Å; Y165-L169 HydrophobicContact CE2-CG 3.84Å; Y165-L169 HydrophobicContact CG-CD1 4.42Å; Y165-L169 WeakPolarHBondContact O-CG 3.47Å; Y165-L169 PolarHBondContact O-N 3.3Å; Y165-W172 HydrophobicContact CD2-CZ3 4.41Å; Y165-W172 HydrophobicContact CE2-CH2 4.48Å; Y165-W172 AromaticContact CE2-CZ3 3.88Å; Y165-W172 HydrophobicContact CE2-CZ3 3.88Å; Y165-W344 HydrophobicContact CD1-CE3 4.3Å; Y165-W344 HydrophobicContact CD1-CH2 4.39Å; Y165-W344 AromaticContact CD1-CZ3 3.51Å; Y165-W344 HydrophobicContact CD1-CZ3 3.51Å; Y165-W344 HydrophobicContact CD2-CH2 4.32Å; Y165-W344 HydrophobicContact CD2-CZ3 4.11Å; Y165-W344 HydrophobicContact CE1-CZ3 4.07Å; Y165-W344 AromaticContact CG-CH2 3.97Å; Y165-W344 HydrophobicContact CG-CH2 3.97Å; Y165-W344 AromaticContact CG-CZ3 3.54Å; Y165-W344 HydrophobicContact CG-CZ3 3.54Å; Y165-Q347 PolarHBondContact OH-NE2 3.33Å; Y165-M352 HydrophobicContact CD2-SD 4.47Å; Y165-M352 HydrophobicContact CE2-CE 3.68Å; Y165-M352 HydrophobicContact CE2-SD 4.12Å
166G98.5Very high98.2Very high0 Ų05 Ų50%02%0.023CC..Hα-helixtrans-58.2-38170.300000111.7T75 N77 G162 G163 S164 L169 S170T75-G166 WeakPolarHBondContact O-CA 3.31Å; T75-G166 PolarHBondContact OG1-O 3.28Å; N77-G166 VanDerWaalsContact CB-N 3.34Å; G162-G166 VanDerWaalsContact CA-C 3.46Å; G163-G166 CarbonylContact O-C 3.5Å; G163-G166 VanDerWaalsContact O-CA 3.23Å; G163-G166 WeakPolarHBondContact O-CA 3.35Å; G163-G166 PolarHBondContact O-N 3.05Å; S164-G166 PolarHBondContact O-N 2.77Å; G166-L169 PolarHBondContact O-N 3.26Å; G166-S170 WeakPolarHBondContact O-CB 3.08Å; G166-S170 PolarHBondContact O-N 2.91Å; G166-S170 PolarHBondContact O-OG 3.38Å
167G98.7Very high98.3Very high0 Ų07.9 Ų7.90%03%0.034CC..Hα-helixtrans-65.5-38.1173.500000112.4G162 G163 S164 Y165 S170 A171 A186 A189G162-G167 VanDerWaalsContact C-CA 3.44Å; G162-G167 WeakPolarHBondContact O-CA 3.46Å; G162-G167 PolarHBondContact O-N 3.2Å; G163-G167 PolarHBondContact O-N 3.17Å; G163-G167 VanDerWaalsContact O-N 3.12Å; S164-G167 WeakPolarHBondContact O-CA 3.41Å; S164-G167 PolarHBondContact O-N 3.11Å; Y165-G167 PolarHBondContact O-N 3.27Å; G167-S170 PolarHBondContact O-N 3.25Å; G167-A171 PolarHBondContact O-N 3.45Å; G167-A186 WeakPolarHBondContact O-CB 3.45Å; G167-A189 VanDerWaalsContact C-CB 3.44Å
168M98.5Very high98.3Very high1 Ų110.8 Ų10.81%0.0055%0.052CC..Hα-helixtrans-62.3-47.6172.9-56.3167.673.100110.7S164 Y165 S170 A171 W172 A189 P190 V191 L193 F194 M352S164-M168 PolarHBondContact O-N 3.45Å; S164-M168 VanDerWaalsContact O-N 3.12Å; Y165-M168 HydrophobicContact CD2-CB 4.32Å; Y165-M168 HydrophobicContact CD2-SD 4.12Å; Y165-M168 WeakPolarHBondContact O-CA 3.45Å; Y165-M168 VanDerWaalsContact O-CB 3.31Å; Y165-M168 WeakPolarHBondContact O-CB 3.44Å; Y165-M168 PolarHBondContact O-N 3.16Å; M168-S170 VanDerWaalsContact C-N 3.31Å; M168-S170 PolarHBondContact O-N 2.89Å; M168-A171 PolarHBondContact O-N 3.18Å; M168-A171 VanDerWaalsContact O-N 3.16Å; M168-W172 HydrophobicContact CB-CD2 4.25Å; M168-W172 HydrophobicContact CB-CE3 4.15Å; M168-W172 HydrophobicContact CB-CH2 3.73Å; M168-W172 HydrophobicContact CB-CZ2 3.83Å; M168-W172 HydrophobicContact CB-CZ3 3.89Å; M168-W172 HydrophobicContact CE-CH2 3.32Å; M168-W172 HydrophobicContact CE-CZ2 3.44Å; M168-W172 VanDerWaalsContact CE-CZ2 3.44Å; M168-W172 HydrophobicContact CE-CZ3 4.43Å; M168-W172 HydrophobicContact CG-CZ2 4.5Å; M168-W172 WeakPolarHBondContact O-CB 3.25Å; M168-W172 PolarHBondContact O-N 3.29Å; M168-W172 HydrophobicContact SD-CH2 4.36Å; M168-A189 HydrophobicContact CG-CB 4.27Å; M168-P190 HydrophobicContact SD-CG 3.93Å; M168-V191 HydrophobicContact CB-CG1 4.23Å; M168-V191 HydrophobicContact CG-CG1 3.98Å; M168-L193 HydrophobicContact CE-CD2 3.35Å; M168-L193 HydrophobicContact CE-CG 3.84Å; M168-L193 HydrophobicContact SD-CD2 3.62Å; M168-F194 HydrophobicContact CE-CE2 4.21Å; M168-F194 HydrophobicContact CE-CZ 3.91Å; M168-M352 HydrophobicContact CE-SD 4.3Å
169L98.8Very high98.1Very high0 Ų015.7 Ų15.70%08%0.079CC..Hα-helixtrans-58.6-41.2175-67.8168.8000111.9G76 A132 L136 Y139 Y165 G166 W172 I173G76-L169 VanDerWaalsContact O-CD1 3.26Å; G76-L169 WeakPolarHBondContact O-CD1 3.45Å; A132-L169 HydrophobicContact CB-CD2 4.1Å; L136-L169 HydrophobicContact CD2-CB 4.36Å; L136-L169 HydrophobicContact CD2-CD2 3.91Å; L136-L169 HydrophobicContact CG-CD2 4.39Å; Y139-L169 HydrophobicContact CE2-CD1 4.27Å; Y165-L169 HydrophobicContact CD1-CD1 4.08Å; Y165-L169 HydrophobicContact CD2-CD1 4.47Å; Y165-L169 HydrophobicContact CD2-CG 4.19Å; Y165-L169 HydrophobicContact CE1-CD1 3.76Å; Y165-L169 HydrophobicContact CE1-CG 4.34Å; Y165-L169 HydrophobicContact CE2-CD1 4.17Å; Y165-L169 HydrophobicContact CE2-CD2 3.94Å; Y165-L169 HydrophobicContact CE2-CG 3.84Å; Y165-L169 HydrophobicContact CG-CD1 4.42Å; Y165-L169 WeakPolarHBondContact O-CG 3.47Å; Y165-L169 PolarHBondContact O-N 3.3Å; G166-L169 PolarHBondContact O-N 3.26Å; L169-W172 HydrophobicContact CD2-CE3 4.15Å; L169-W172 HydrophobicContact CD2-CZ3 4.37Å; L169-W172 PolarHBondContact O-N 2.89Å; L169-I173 WeakPolarHBondContact O-CB 3.39Å; L169-I173 WeakPolarHBondContact O-CG2 3.35Å; L169-I173 PolarHBondContact O-N 2.86Å
170S98.9Very high98Very high0 Ų017.7 Ų17.70%09%0.088CC..Hα-helixtrans-63.8-40.2175.1-84.80000113.2T75 F161 G162 G166 G167 M168 I173 R174 A184T75-S170 PolarHBondContact OG1-N 3.17Å; T75-S170 PolarHBondContact OG1-OG 2.87Å; F161-S170 WeakPolarHBondContact CA-OG 3.47Å; F161-S170 PolarHBondContact N-OG 2.82Å; F161-S170 PolarHBondContact O-OG 3.46Å; G162-S170 PolarHBondContact N-OG 2.85Å; G166-S170 WeakPolarHBondContact O-CB 3.08Å; G166-S170 PolarHBondContact O-N 2.91Å; G166-S170 PolarHBondContact O-OG 3.38Å; G167-S170 PolarHBondContact O-N 3.25Å; M168-S170 VanDerWaalsContact C-N 3.31Å; M168-S170 PolarHBondContact O-N 2.89Å; S170-I173 WeakPolarHBondContact O-CG2 3.27Å; S170-R174 PolarHBondContact O-N 3.06Å; S170-A184 WeakPolarHBondContact O-CB 3.48Å
171A98.6Very high98Very high0 Ų017.7 Ų17.70%09%0.088CC..Hα-helixtrans-64.4-48.7172.600000110.9G167 M168 R174 Q175 A186 V191 I407 F409G167-A171 PolarHBondContact O-N 3.45Å; M168-A171 PolarHBondContact O-N 3.18Å; M168-A171 VanDerWaalsContact O-N 3.16Å; A171-R174 PolarHBondContact O-N 3.11Å; A171-Q175 VanDerWaalsContact O-CG 3.28Å; A171-Q175 WeakPolarHBondContact O-CG 3.35Å; A171-Q175 PolarHBondContact O-N 3.16Å; A171-A186 HydrophobicContact CB-CB 3.97Å; A171-V191 HydrophobicContact CB-CG1 4.4Å; A171-I407 HydrophobicContact CB-CD1 4.39Å; A171-I407 HydrophobicContact CB-CG2 4.41Å; A171-F409 HydrophobicContact CB-CE1 3.83Å; A171-F409 HydrophobicContact CB-CZ 4.14Å
172W98.4Very high97.9Very high2 Ų217.8 Ų17.81%0.0089%0.089CC..Hα-helixtrans-69.4-36.3-175.4-58.8-30.6000113.4A132 L136 Y165 M168 L169 R174 Q175 K176 F194 M352 F396A132-W172 HydrophobicContact CB-CE3 4.3Å; A132-W172 HydrophobicContact CB-CZ3 3.97Å; L136-W172 HydrophobicContact CD1-CB 3.84Å; Y165-W172 HydrophobicContact CD2-CZ3 4.41Å; Y165-W172 HydrophobicContact CE2-CH2 4.48Å; Y165-W172 AromaticContact CE2-CZ3 3.88Å; Y165-W172 HydrophobicContact CE2-CZ3 3.88Å; M168-W172 HydrophobicContact CB-CD2 4.25Å; M168-W172 HydrophobicContact CB-CE3 4.15Å; M168-W172 HydrophobicContact CB-CH2 3.73Å; M168-W172 HydrophobicContact CB-CZ2 3.83Å; M168-W172 HydrophobicContact CB-CZ3 3.89Å; M168-W172 HydrophobicContact CE-CH2 3.32Å; M168-W172 HydrophobicContact CE-CZ2 3.44Å; M168-W172 VanDerWaalsContact CE-CZ2 3.44Å; M168-W172 HydrophobicContact CE-CZ3 4.43Å; M168-W172 HydrophobicContact CG-CZ2 4.5Å; M168-W172 WeakPolarHBondContact O-CB 3.25Å; M168-W172 PolarHBondContact O-N 3.29Å; M168-W172 HydrophobicContact SD-CH2 4.36Å; L169-W172 HydrophobicContact CD2-CE3 4.15Å; L169-W172 HydrophobicContact CD2-CZ3 4.37Å; L169-W172 PolarHBondContact O-N 2.89Å; W172-R174 VanDerWaalsContact C-N 3.3Å; W172-R174 PolarHBondContact O-N 3.2Å; W172-Q175 WeakPolarHBondContact O-CB 3.08Å; W172-Q175 PolarHBondContact O-N 3.42Å; W172-K176 WeakPolarHBondContact O-CB 3.39Å; W172-K176 WeakPolarHBondContact O-CG 3.08Å; W172-K176 PolarHBondContact O-N 3.48Å; W172-F194 HydrophobicContact CH2-CZ 4.06Å; W172-F194 HydrophobicContact CZ2-CE2 4.14Å; W172-F194 AromaticContact CZ2-CZ 3.96Å; W172-F194 HydrophobicContact CZ2-CZ 3.96Å; W172-M352 HydrophobicContact CH2-CE 3.74Å; W172-M352 HydrophobicContact CH2-SD 4.01Å; W172-M352 HydrophobicContact CZ3-CE 3.8Å; W172-F396 HydrophobicContact CD2-CB 4.49Å; W172-F396 AromaticContact CD2-CD1 3.54Å; W172-F396 HydrophobicContact CD2-CD1 3.54Å; W172-F396 AromaticContact CD2-CE1 4Å; W172-F396 HydrophobicContact CD2-CE1 4Å; W172-F396 HydrophobicContact CD2-CG 4.05Å; W172-F396 AromaticContact CE2-CD1 3.59Å; W172-F396 AromaticContact CE2-CG 3.58Å; W172-F396 AromaticContact CE3-CD1 3.87Å; W172-F396 HydrophobicContact CE3-CD1 3.87Å; W172-F396 AromaticContact CE3-CE1 3.83Å; W172-F396 HydrophobicContact CE3-CE1 3.83Å; W172-F396 HydrophobicContact CE3-CZ 4.43Å; W172-F396 AromaticContact CG-CD1 3.87Å; W172-F396 HydrophobicContact CG-CD1 3.87Å; W172-F396 HydrophobicContact CH2-CD1 4.23Å; W172-F396 AromaticContact CH2-CD2 3.99Å; W172-F396 HydrophobicContact CH2-CD2 3.99Å; W172-F396 HydrophobicContact CH2-CE1 4.32Å; W172-F396 HydrophobicContact CH2-CE2 4.1Å; W172-F396 HydrophobicContact CH2-CG 4.1Å; W172-F396 HydrophobicContact CH2-CZ 4.29Å; W172-F396 HydrophobicContact CZ2-CB 3.92Å; W172-F396 AromaticContact CZ2-CD1 3.94Å; W172-F396 HydrophobicContact CZ2-CD1 3.94Å; W172-F396 AromaticContact CZ2-CD2 3.8Å; W172-F396 HydrophobicContact CZ2-CD2 3.8Å; W172-F396 HydrophobicContact CZ2-CE1 4.48Å; W172-F396 HydrophobicContact CZ2-CE2 4.37Å; W172-F396 AromaticContact CZ2-CG 3.6Å; W172-F396 HydrophobicContact CZ2-CG 3.6Å; W172-F396 HydrophobicContact CZ3-CD1 4.2Å; W172-F396 HydrophobicContact CZ3-CE1 4Å; W172-F396 HydrophobicContact CZ3-CE2 4.42Å; W172-F396 HydrophobicContact CZ3-CZ 4.15Å; W172-F396 AromaticContact NE1-CD1 3.98Å; W172-F396 AromaticContact NE1-CG 3.9Å
173I98.7Very high97.9Very high0 Ų017.8 Ų17.80%09%0.089CC..Hα-helixtrans-64.3-38.1176.4-156176.9000110.8T75 L136 Y139 V140 A160 L169 S170 Y177 I181T75-I173 HydrophobicContact CG2-CD1 4.48Å; T75-I173 HydrophobicContact CG2-CG2 4.24Å; L136-I173 HydrophobicContact CD2-CB 3.75Å; L136-I173 HydrophobicContact CD2-CG1 4.18Å; Y139-I173 HydrophobicContact CD2-CD1 4.35Å; V140-I173 HydrophobicContact CG2-CD1 4.07Å; V140-I173 HydrophobicContact CG2-CG1 4.12Å; A160-I173 HydrophobicContact CB-CG2 3.75Å; L169-I173 WeakPolarHBondContact O-CB 3.39Å; L169-I173 WeakPolarHBondContact O-CG2 3.35Å; L169-I173 PolarHBondContact O-N 2.86Å; S170-I173 WeakPolarHBondContact O-CG2 3.27Å; I173-Y177 HydrophobicContact CG1-CD2 3.99Å; I173-Y177 WeakPolarHBondContact O-CA 3.37Å; I173-Y177 WeakPolarHBondContact O-CB 3.42Å; I173-Y177 PolarHBondContact O-N 2.96Å; I173-I181 HydrophobicContact CB-CG1 4.45Å; I173-I181 HydrophobicContact CD1-CD1 3.93Å; I173-I181 HydrophobicContact CD1-CG1 4.25Å; I173-I181 HydrophobicContact CG1-CD1 4.18Å; I173-I181 HydrophobicContact CG1-CG1 3.92Å; I173-I181 HydrophobicContact CG2-CD1 4.44Å; I173-I181 HydrophobicContact CG2-CG1 4.08Å; I173-I181 HydrophobicContact CG2-CG2 4.39Å
174R98.5Very high98Very high14 Ų1417.7 Ų17.75%0.0539%0.088CC..Hα-helixtrans-69.1-37.3174173.557.3-168.61666.6112S170 A171 W172 P178 I181 A184 T405 I407S170-R174 PolarHBondContact O-N 3.06Å; A171-R174 PolarHBondContact O-N 3.11Å; W172-R174 VanDerWaalsContact C-N 3.3Å; W172-R174 PolarHBondContact O-N 3.2Å; R174-P178 PolarHBondContact NH1-O 3.19Å; R174-P178 VanDerWaalsContact NH1-O 3.09Å; R174-P178 WeakPolarHBondContact O-CB 3.45Å; R174-I181 HydrophobicContact CB-CB 4.5Å; R174-I181 HydrophobicContact CB-CG2 4Å; R174-I181 WeakPolarHBondContact CD-O 2.87Å; R174-I181 PolarHBondContact NH1-O 3.38Å; R174-A184 HydrophobicContact CB-CB 3.86Å; R174-A184 HydrophobicContact CG-CB 4.39Å; R174-T405 PolarHBondContact NE-O 3.33Å; R174-T405 PolarHBondContact NH2-OG1 3.47Å; R174-I407 HydrophobicContact CB-CD1 4.23Å; R174-I407 HydrophobicContact CB-CG1 4.14Å; R174-I407 HydrophobicContact CG-CD1 4.01Å; R174-I407 HydrophobicContact CG-CG1 3.64Å
175Q97Very high98.1Very high20 Ų2017.5 Ų17.59%0.0939%0.087CC..Hα-helixtrans-64.8-46.1175.8-73.3173.1-3.800112.6A171 W172 W397 V404 I407A171-Q175 VanDerWaalsContact O-CG 3.28Å; A171-Q175 WeakPolarHBondContact O-CG 3.35Å; A171-Q175 PolarHBondContact O-N 3.16Å; W172-Q175 WeakPolarHBondContact O-CB 3.08Å; W172-Q175 PolarHBondContact O-N 3.42Å; Q175-W397 HydrophobicContact CB-CE3 4.38Å; Q175-W397 HydrophobicContact CB-CH2 3.74Å; Q175-W397 HydrophobicContact CB-CZ2 4.18Å; Q175-W397 HydrophobicContact CB-CZ3 3.86Å; Q175-W397 HydrophobicContact CG-CE3 4.11Å; Q175-W397 HydrophobicContact CG-CH2 4.18Å; Q175-W397 HydrophobicContact CG-CZ3 3.77Å; Q175-V404 HydrophobicContact CG-CG1 3.89Å; Q175-I407 HydrophobicContact CG-CD1 4.08Å
176K97.2Very high98.1Very high62 Ų6217.5 Ų17.527%0.279%0.087SC..Hα-helixtrans-84.5-33.7-173.3-66.3-79.9177.6160.90113.1L136 W172 P178 E395L136-K176 HydrophobicContact CD1-CG 4.46Å; W172-K176 WeakPolarHBondContact O-CB 3.39Å; W172-K176 WeakPolarHBondContact O-CG 3.08Å; W172-K176 PolarHBondContact O-N 3.48Å; K176-P178 WeakPolarHBondContact O-CD 3Å; K176-E395 WeakPolarHBondContact CE-O 3.45Å; K176-E395 VanDerWaalsContact CE-OE1 3.27Å; K176-E395 WeakPolarHBondContact CE-OE1 3.37Å; K176-E395 PolarHBondContact NZ-O 3.04Å; K176-E395 IonicContact NZ-OE1 3.22Å; K176-E395 PolarHBondContact NZ-OE1 2.85Å; K176-E395 IonicContact NZ-OE2 3.1Å; K176-E395 PolarHBondContact NZ-OE2 3.15Å
177Y98.2Very high98.1Very high61 Ų6117.5 Ų17.524%0.2399%0.087CC..  trans-125.852.9-176.2-51.6-83.9000112.8L136 V140 I173 N179 Q180 I181L136-Y177 HydrophobicContact CB-CE2 4.03Å; V140-Y177 HydrophobicContact CG1-CD1 4.39Å; V140-Y177 HydrophobicContact CG2-CD1 3.94Å; V140-Y177 HydrophobicContact CG2-CD2 3.59Å; V140-Y177 HydrophobicContact CG2-CE1 4.3Å; V140-Y177 HydrophobicContact CG2-CE2 4Å; V140-Y177 HydrophobicContact CG2-CG 3.55Å; I173-Y177 HydrophobicContact CG1-CD2 3.99Å; I173-Y177 WeakPolarHBondContact O-CA 3.37Å; I173-Y177 WeakPolarHBondContact O-CB 3.42Å; I173-Y177 PolarHBondContact O-N 2.96Å; Y177-N179 PolarHBondContact O-N 2.97Å; Y177-Q180 PolarHBondContact O-N 3.42Å; Y177-I181 PolarHBondContact O-N 2.91Å
178P96.9Very high98.1Very high60 Ų6017.5 Ų17.539%0.399%0.087SC..THydrogen-bonded Turntrans-65.8-12.1-179.329.4-36.5000113.4R174 K176 Q180R174-P178 PolarHBondContact NH1-O 3.19Å; R174-P178 VanDerWaalsContact NH1-O 3.09Å; R174-P178 WeakPolarHBondContact O-CB 3.45Å; K176-P178 WeakPolarHBondContact O-CD 3Å; P178-Q180 VanDerWaalsContact C-N 3.34Å
179N95.3Very high98.1Very high104 Ų10417.4 Ų17.456%0.5569%0.087SC*.THydrogen-bonded Turntrans-81-9.2171.666.5-57.9000113.6Y177 W474Y177-N179 PolarHBondContact O-N 2.97Å; N179-W474 VanDerWaalsContact O-CH2 3.31Å; N179-W474 WeakPolarHBondContact O-CH2 3.39Å
180Q96.9Very high98Very high41 Ų4117.6 Ų17.619%0.1929%0.088CC..THydrogen-bonded Turntrans-118.9-32.7178-63.2-62.5-17.400112.5V140 N144 Y177 P178V140-Q180 HydrophobicContact CG1-CG 4.11Å; N144-Q180 PolarHBondContact OD1-OE1 2.8Å; Y177-Q180 PolarHBondContact O-N 3.42Å; P178-Q180 VanDerWaalsContact C-N 3.34Å
181I98.4Very high97.9Very high0 Ų018 Ų180%09%0.09CC..  trans-106.4118.2-176.3-51.1-57.6000108.7I143 V158 A160 I173 R174 Y177 G183I143-I181 HydrophobicContact CD1-CD1 3.62Å; V158-I181 HydrophobicContact CB-CD1 4.35Å; V158-I181 HydrophobicContact CG1-CD1 4.02Å; A160-I181 HydrophobicContact CB-CG2 3.94Å; I173-I181 HydrophobicContact CB-CG1 4.45Å; I173-I181 HydrophobicContact CD1-CD1 3.93Å; I173-I181 HydrophobicContact CD1-CG1 4.25Å; I173-I181 HydrophobicContact CG1-CD1 4.18Å; I173-I181 HydrophobicContact CG1-CG1 3.92Å; I173-I181 HydrophobicContact CG2-CD1 4.44Å; I173-I181 HydrophobicContact CG2-CG1 4.08Å; I173-I181 HydrophobicContact CG2-CG2 4.39Å; R174-I181 HydrophobicContact CB-CB 4.5Å; R174-I181 HydrophobicContact CB-CG2 4Å; R174-I181 WeakPolarHBondContact CD-O 2.87Å; R174-I181 PolarHBondContact NH1-O 3.38Å; Y177-I181 PolarHBondContact O-N 2.91Å; I181-G183 WeakPolarHBondContact CG2-O 3.44Å
182A98Very high97.9Very high2 Ų218.4 Ų18.42%0.0179%0.092CC..SBendtrans-75.6-31.9-177.100000113.2P157 V158 I159 N406 W474P157-A182 HydrophobicContact CB-CB 3.89Å; V158-A182 WeakPolarHBondContact O-CB 3.36Å; V158-A182 PolarHBondContact O-N 3.2Å; I159-A182 HydrophobicContact CD1-CB 4.01Å; A182-N406 WeakPolarHBondContact O-CB 3.47Å; A182-N406 PolarHBondContact O-ND2 3.09Å; A182-N406 VanDerWaalsContact O-ND2 3.1Å; A182-W474 HydrophobicContact CB-CB 4.16Å; A182-W474 HydrophobicContact CB-CD2 3.92Å; A182-W474 HydrophobicContact CB-CE3 3.54Å; A182-W474 HydrophobicContact CB-CG 4.21Å; A182-W474 HydrophobicContact CB-CZ3 4.15Å
183G98.7Very high97.7Very high0 Ų018.5 Ų18.50%09%0.092CC..EExtended strand (participates in β ladder)trans-170.8172.7174.200000111.8I159 A160 I181 N406I159-G183 WeakPolarHBondContact CA-O 3.26Å; A160-G183 PolarHBondContact N-O 3.19Å; I181-G183 WeakPolarHBondContact CG2-O 3.44Å; G183-N406 CarbonylContact C-O 3.44Å; G183-N406 WeakPolarHBondContact CA-O 3.27Å
184A98.9Very high97.5Very high0 Ų018.6 Ų18.60%09%0.093CC..EExtended strand (participates in β ladder)trans-141.8141.2-177.200000113A160 S170 R174 N406 I407 I408A160-A184 HydrophobicContact CB-CB 4.03Å; A160-A184 CarbonylContact O-C 3.59Å; A160-A184 VanDerWaalsContact O-CA 3.26Å; A160-A184 WeakPolarHBondContact O-CA 3.23Å; S170-A184 WeakPolarHBondContact O-CB 3.48Å; R174-A184 HydrophobicContact CB-CB 3.86Å; R174-A184 HydrophobicContact CG-CB 4.39Å; A184-N406 PolarHBondContact N-O 3.16Å; A184-I407 HydrophobicContact CB-CG1 4.38Å; A184-I407 HydrophobicContact CB-CG2 4.47Å; A184-I407 CarbonylContact O-C 3.56Å; A184-I407 WeakPolarHBondContact O-CA 3.34Å; A184-I408 PolarHBondContact O-N 2.89Å
185I98.9Very high97.2Very high0 Ų019.6 Ų19.60%010%0.101CC..EExtended strand (participates in β ladder)trans-103.1104.2165.6-50.9-55.8000107.5A160 F161 G162 I408 L445 E463 I467 W470A160-I185 PolarHBondContact O-N 3.43Å; F161-I185 HydrophobicContact CD1-CB 3.71Å; F161-I185 HydrophobicContact CD1-CG1 3.72Å; F161-I185 HydrophobicContact CD1-CG2 4.35Å; F161-I185 HydrophobicContact CE1-CB 4.02Å; F161-I185 HydrophobicContact CE1-CG1 3.48Å; F161-I185 VanDerWaalsContact CE1-CG1 3.48Å; F161-I185 HydrophobicContact CG-CB 4.41Å; F161-I185 HydrophobicContact CZ-CG1 4.11Å; G162-I185 PolarHBondContact N-O 3.44Å; G162-I185 VanDerWaalsContact N-O 3.16Å; I185-I408 HydrophobicContact CD1-CB 3.93Å; I185-I408 HydrophobicContact CD1-CD1 3.49Å; I185-I408 VanDerWaalsContact CD1-CD1 3.49Å; I185-I408 HydrophobicContact CD1-CG1 4.2Å; I185-L445 HydrophobicContact CG2-CD2 4.43Å; I185-E463 HydrophobicContact CD1-CB 4.32Å; I185-E463 HydrophobicContact CD1-CG 4.27Å; I185-I467 HydrophobicContact CD1-CD1 4.13Å; I185-I467 HydrophobicContact CD1-CG1 4.15Å; I185-I467 HydrophobicContact CG1-CD1 4.1Å; I185-I467 HydrophobicContact CG1-CG1 4.48Å; I185-W470 HydrophobicContact CD1-CH2 4.05Å; I185-W470 HydrophobicContact CD1-CZ3 3.87Å
186A98.8Very high97Very high0 Ų022.4 Ų22.40%014%0.136CC..EExtended strand (participates in β ladder)trans-99.383.1178.200000108.9G167 A171 A189 I407 I408 F409 S410G167-A186 WeakPolarHBondContact O-CB 3.45Å; A171-A186 HydrophobicContact CB-CB 3.97Å; A186-A189 HydrophobicContact CB-CB 3.92Å; A186-I407 HydrophobicContact CB-CG2 4.09Å; A186-I408 WeakPolarHBondContact CA-O 3.4Å; A186-I408 WeakPolarHBondContact CB-O 2.88Å; A186-I408 PolarHBondContact N-O 3.36Å; A186-F409 HydrophobicContact CB-CD1 3.94Å; A186-F409 HydrophobicContact CB-CE1 4.12Å; A186-F409 WeakPolarHBondContact O-CA 3.12Å; A186-S410 PolarHBondContact O-N 3.06Å
187S98.8Very high96.8Very high0 Ų020.9 Ų20.90%013%0.13CC..EExtended strand (participates in β ladder)trans-85.2127.4-174179.60000112.1G162 G163 S164 A189 S410 H442 D444G162-S187 PolarHBondContact O-N 2.91Å; G163-S187 CarbonylContact C-O 3.47Å; G163-S187 VanDerWaalsContact CA-O 3.25Å; G163-S187 WeakPolarHBondContact CA-O 3.42Å; S164-S187 PolarHBondContact N-O 3.02Å; S164-S187 VanDerWaalsContact N-O 3.09Å; S187-A189 PolarHBondContact O-N 3.45Å; S187-S410 VanDerWaalsContact CA-OG 3.27Å; S187-S410 WeakPolarHBondContact CA-OG 3.46Å; S187-S410 WeakPolarHBondContact CB-OG 3.25Å; S187-S410 PolarHBondContact OG-OG 3.17Å; S187-H442 VanDerWaalsContact OG-CA 3.32Å; S187-H442 WeakPolarHBondContact OG-CA 3.43Å; S187-H442 WeakPolarHBondContact OG-CB 3.49Å; S187-D444 WeakPolarHBondContact CB-OD2 3.43Å; S187-D444 PolarHBondContact OG-OD1 3.08Å; S187-D444 PolarHBondContact OG-OD2 3.49Å
188S98.4Very high96.6Very high0 Ų019.6 Ų19.60%013%0.13CC..THydrogen-bonded Turntrans45.847.9-177.6-55.80000111.4S164 P190 S410 D415 H442S164-S188 WeakPolarHBondContact CA-O 3.39Å; S188-P190 WeakPolarHBondContact O-CD 3.19Å; S188-S410 WeakPolarHBondContact CA-O 3.47Å; S188-S410 PolarHBondContact N-O 2.96Å; S188-D415 VanDerWaalsContact CB-OD2 3.26Å; S188-D415 WeakPolarHBondContact CB-OD2 3.43Å; S188-D415 PolarHBondContact OG-OD2 3.39Å; S188-H442 WeakPolarHBondContact OG-CA 3Å; S188-H442 PolarHBondContact OG-N 2.91Å
189A98.2Very high96.5Very high0 Ų022 Ų220%014%0.14CC..  trans-93.8102.3-171.800000110.5G167 M168 A186 S187 V191 S421G167-A189 VanDerWaalsContact C-CB 3.44Å; M168-A189 HydrophobicContact CG-CB 4.27Å; A186-A189 HydrophobicContact CB-CB 3.92Å; S187-A189 PolarHBondContact O-N 3.45Å; A189-V191 HydrophobicContact CB-CG1 4.22Å; A189-V191 PolarHBondContact O-N 3.44Å; A189-S421 WeakPolarHBondContact O-CB 3.37Å; A189-S421 PolarHBondContact O-OG 3.41Å; A189-S421 VanDerWaalsContact O-OG 3.06Å
190P97.2Very high96.4Very high4 Ų418.6 Ų18.63%0.02612%0.124CC..  trans-76.758.6-176.832.5-36.9000112.3M168 S188 W192 L193 W417 F420M168-P190 HydrophobicContact SD-CG 3.93Å; S188-P190 WeakPolarHBondContact O-CD 3.19Å; P190-W192 PolarHBondContact O-N 3.2Å; P190-L193 HydrophobicContact CB-CB 4.24Å; P190-L193 HydrophobicContact CB-CD2 4.34Å; P190-L193 HydrophobicContact CG-CD2 4.01Å; P190-L193 VanDerWaalsContact O-CB 3.22Å; P190-L193 WeakPolarHBondContact O-CB 3.34Å; P190-L193 WeakPolarHBondContact O-CD2 3.43Å; P190-L193 VanDerWaalsContact O-CG 3.23Å; P190-L193 WeakPolarHBondContact O-CG 3.41Å; P190-L193 PolarHBondContact O-N 2.98Å; P190-W417 HydrophobicContact CB-CB 4.4Å; P190-W417 HydrophobicContact CB-CE3 3.88Å; P190-W417 HydrophobicContact CG-CD2 4.39Å; P190-W417 HydrophobicContact CG-CE3 3.88Å; P190-F420 CarbonylContact C-O 3.55Å; P190-F420 WeakPolarHBondContact CA-O 3.21Å; P190-F420 HydrophobicContact CB-CB 3.67Å
191V96.9Very high96.3Very high9 Ų917.5 Ų17.56%0.05512%0.119CC..THydrogen-bonded Turntrans-61.6-11.7-176.6-64.70000114.1M168 A171 A189 F409 F420 I422M168-V191 HydrophobicContact CB-CG1 4.23Å; M168-V191 HydrophobicContact CG-CG1 3.98Å; A171-V191 HydrophobicContact CB-CG1 4.4Å; A189-V191 HydrophobicContact CB-CG1 4.22Å; A189-V191 PolarHBondContact O-N 3.44Å; V191-F409 HydrophobicContact CG1-CE1 4.25Å; V191-F409 HydrophobicContact CG2-CE1 4.3Å; V191-F420 PolarHBondContact N-O 3.38Å; V191-I422 HydrophobicContact CG2-CD1 3.88Å; V191-I422 HydrophobicContact CG2-CG1 3.66Å
192W96.6Very high96.2Very high7 Ų718.2 Ų18.23%0.02713%0.126CC..THydrogen-bonded Turntrans-110.324.8174.5-62.5-23.5000113.3P190 F194 L197 S398 K399 V401 F420 I422 Y427P190-W192 PolarHBondContact O-N 3.2Å; W192-F194 PolarHBondContact O-N 3.19Å; W192-L197 HydrophobicContact CB-CB 4Å; W192-L197 HydrophobicContact CB-CD1 4.47Å; W192-L197 WeakPolarHBondContact O-CB 3.48Å; W192-S398 PolarHBondContact NE1-O 2.9Å; W192-K399 HydrophobicContact CD2-CD 3.84Å; W192-K399 HydrophobicContact CE3-CD 4.28Å; W192-K399 HydrophobicContact CG-CD 4.3Å; W192-K399 HydrophobicContact CH2-CD 3.98Å; W192-K399 HydrophobicContact CZ2-CD 3.59Å; W192-K399 HydrophobicContact CZ3-CD 4.32Å; W192-V401 HydrophobicContact CZ2-CG2 4.24Å; W192-F420 CarbonylContact C-O 3.57Å; W192-F420 VanDerWaalsContact CA-O 3.31Å; W192-F420 WeakPolarHBondContact CA-O 3.18Å; W192-F420 WeakPolarHBondContact CB-O 3.44Å; W192-F420 PolarHBondContact N-O 2.94Å; W192-I422 HydrophobicContact CD2-CG1 4.09Å; W192-I422 HydrophobicContact CE3-CG1 4.25Å; W192-I422 HydrophobicContact CH2-CB 4.37Å; W192-I422 HydrophobicContact CH2-CG1 3.91Å; W192-I422 HydrophobicContact CH2-CG2 4.22Å; W192-I422 HydrophobicContact CZ2-CD1 4.03Å; W192-I422 HydrophobicContact CZ2-CG1 3.65Å; W192-I422 HydrophobicContact CZ3-CB 4.5Å; W192-I422 HydrophobicContact CZ3-CG1 4.19Å; W192-Y427 HydrophobicContact CH2-CD1 4.13Å; W192-Y427 AromaticContact CH2-CD2 3.48Å; W192-Y427 HydrophobicContact CH2-CD2 3.48Å; W192-Y427 VanDerWaalsContact CH2-CD2 3.48Å; W192-Y427 AromaticContact CH2-CE2 3.95Å; W192-Y427 HydrophobicContact CH2-CE2 3.95Å; W192-Y427 AromaticContact CH2-CG 3.58Å; W192-Y427 HydrophobicContact CH2-CG 3.58Å; W192-Y427 HydrophobicContact CZ2-CG 4.36Å; W192-Y427 HydrophobicContact CZ3-CD2 4.01Å; W192-Y427 HydrophobicContact CZ3-CE2 4.11Å
193L94.6Very high96Very high4 Ų418.1 Ų18.12%0.02113%0.126CC..  trans-66-12.3175.266.977.2000114.6M168 P190 T354 P355 F420M168-L193 HydrophobicContact CE-CD2 3.35Å; M168-L193 HydrophobicContact CE-CG 3.84Å; M168-L193 HydrophobicContact SD-CD2 3.62Å; P190-L193 HydrophobicContact CB-CB 4.24Å; P190-L193 HydrophobicContact CB-CD2 4.34Å; P190-L193 HydrophobicContact CG-CD2 4.01Å; P190-L193 VanDerWaalsContact O-CB 3.22Å; P190-L193 WeakPolarHBondContact O-CB 3.34Å; P190-L193 WeakPolarHBondContact O-CD2 3.43Å; P190-L193 VanDerWaalsContact O-CG 3.23Å; P190-L193 WeakPolarHBondContact O-CG 3.41Å; P190-L193 PolarHBondContact O-N 2.98Å; L193-T354 HydrophobicContact CB-CG2 4.13Å; L193-T354 WeakPolarHBondContact CD1-OG1 3.42Å; L193-P355 WeakPolarHBondContact O-CD 3.41Å; L193-F420 HydrophobicContact CB-CB 4.16Å; L193-F420 HydrophobicContact CB-CD2 4.23Å; L193-F420 HydrophobicContact CB-CG 4.44Å
194F94.7Very high95.8Very high3 Ų318.1 Ų18.11%0.01313%0.126CC..SBendtrans-78.7159.4-170.9-51-74.5000112.9M168 W172 W192 G196 L197 E351 M352 P392 F396M168-F194 HydrophobicContact CE-CE2 4.21Å; M168-F194 HydrophobicContact CE-CZ 3.91Å; W172-F194 HydrophobicContact CH2-CZ 4.06Å; W172-F194 HydrophobicContact CZ2-CE2 4.14Å; W172-F194 AromaticContact CZ2-CZ 3.96Å; W172-F194 HydrophobicContact CZ2-CZ 3.96Å; W192-F194 PolarHBondContact O-N 3.19Å; F194-G196 PolarHBondContact O-N 2.79Å; F194-L197 HydrophobicContact CB-CD1 3.76Å; F194-L197 HydrophobicContact CB-CG 4.22Å; F194-L197 HydrophobicContact CD2-CD1 3.82Å; F194-L197 HydrophobicContact CG-CD1 4.29Å; F194-L197 WeakPolarHBondContact O-CB 3.21Å; F194-L197 PolarHBondContact O-N 3.42Å; F194-L197 VanDerWaalsContact O-N 3.13Å; F194-E351 VanDerWaalsContact CE1-O 3.31Å; F194-E351 WeakPolarHBondContact CE1-O 3.45Å; F194-M352 HydrophobicContact CE1-SD 3.95Å; F194-M352 HydrophobicContact CZ-SD 4.08Å; F194-P392 HydrophobicContact CB-CB 4.11Å; F194-P392 HydrophobicContact CB-CG 4.35Å; F194-P392 HydrophobicContact CD1-CB 3.48Å; F194-P392 VanDerWaalsContact CD1-CB 3.48Å; F194-P392 HydrophobicContact CD1-CG 3.25Å; F194-P392 HydrophobicContact CD2-CB 3.55Å; F194-P392 HydrophobicContact CD2-CG 4.3Å; F194-P392 HydrophobicContact CE1-CB 3.63Å; F194-P392 HydrophobicContact CE1-CG 3.42Å; F194-P392 VanDerWaalsContact CE1-CG 3.42Å; F194-P392 HydrophobicContact CE2-CB 3.72Å; F194-P392 HydrophobicContact CE2-CG 4.45Å; F194-P392 HydrophobicContact CG-CB 3.42Å; F194-P392 VanDerWaalsContact CG-CB 3.42Å; F194-P392 HydrophobicContact CG-CG 3.72Å; F194-P392 HydrophobicContact CZ-CB 3.75Å; F194-P392 HydrophobicContact CZ-CG 4.04Å; F194-F396 HydrophobicContact CE2-CD2 4.19Å; F194-F396 AromaticContact CZ-CD2 3.79Å; F194-F396 HydrophobicContact CZ-CD2 3.79Å; F194-F396 HydrophobicContact CZ-CE2 4.3Å
195P92.6Very high95.7Very high35 Ų3520.5 Ų20.523%0.22714%0.137CC..THydrogen-bonded Turntrans-53.1131-177.8-25.936.7000113.5L197 V353 P355 V389P195-L197 VanDerWaalsContact C-N 3.28Å; P195-L197 PolarHBondContact O-N 2.82Å; P195-V353 WeakPolarHBondContact CD-O 3.37Å; P195-V353 HydrophobicContact CG-CB 4.31Å; P195-V353 HydrophobicContact CG-CG1 3.99Å; P195-P355 VanDerWaalsContact CA-CG 3.5Å; P195-P355 HydrophobicContact CB-CG 4.05Å; P195-P355 HydrophobicContact CG-CG 3.99Å; P195-V389 HydrophobicContact CG-CB 4.14Å; P195-V389 HydrophobicContact CG-CG1 4.04Å
196G92Very high95.6Very high79 Ų7921.6 Ų21.681%0.81414%0.144SC*.THydrogen-bonded Turntrans76.74.1177.700000115.6F194F194-G196 PolarHBondContact O-N 2.79Å
197L94.5Very high95.5Very high30 Ų3021.6 Ų21.616%0.15714%0.144CC..THydrogen-bonded Turntrans-95.3-27.8178.7-56.7-171.2000114W192 F194 P195 S398 K399W192-L197 HydrophobicContact CB-CB 4Å; W192-L197 HydrophobicContact CB-CD1 4.47Å; W192-L197 WeakPolarHBondContact O-CB 3.48Å; F194-L197 HydrophobicContact CB-CD1 3.76Å; F194-L197 HydrophobicContact CB-CG 4.22Å; F194-L197 HydrophobicContact CD2-CD1 3.82Å; F194-L197 HydrophobicContact CG-CD1 4.29Å; F194-L197 WeakPolarHBondContact O-CB 3.21Å; F194-L197 PolarHBondContact O-N 3.42Å; F194-L197 VanDerWaalsContact O-N 3.13Å; P195-L197 VanDerWaalsContact C-N 3.28Å; P195-L197 PolarHBondContact O-N 2.82Å; L197-S398 VanDerWaalsContact CD1-OG 3.31Å; L197-S398 WeakPolarHBondContact CD1-OG 3.49Å; L197-K399 HydrophobicContact CD2-CG 4.17Å; L197-K399 WeakPolarHBondContact O-CE 3.5Å; L197-K399 PolarHBondContact O-NZ 3.44Å
198S94.3Very high95.4Very high34 Ų3422 Ų2224%0.23815%0.146CC..SBendtrans-140.6162.8177.1-78.20000111C200 A419S198-C200 PolarHBondContact O-N 2.83Å; S198-A419 PolarHBondContact OG-O 2.66Å
199D94.1Very high95.3Very high110 Ų11026.2 Ų26.259%0.58817%0.169SC*.  trans-67.8121.3173.3177.36.3000110.1N201 G202 F420D199-N201 PolarHBondContact O-N 3.25Å; D199-N201 VanDerWaalsContact O-N 3.11Å; D199-N201 WeakPolarHBondContact OD1-CB 3.34Å; D199-N201 PolarHBondContact OD1-N 2.83Å; D199-G202 PolarHBondContact O-N 3.1Å; D199-F420 WeakPolarHBondContact O-CE1 3.32Å
200C93.4Very high95.3Very high33 Ų3326.3 Ų26.322%0.22317%0.17CC..THydrogen-bonded Turntrans-59.5-24.9-179.566.60000113.3S198 G202 P355 C357S198-C200 PolarHBondContact O-N 2.83Å; C200-G202 VanDerWaalsContact C-N 3.28Å; C200-P355 HydrophobicContact CB-CB 4.18Å; C200-C357 HydrophobicContact CB-CB 3.88Å; C200-C357 WeakPolarHBondContact CB-SG 3.27Å; C200-C357 PolarHBondContact O-N 2.99Å; C200-C357 WeakPolarHBondContact SG-CB 3.48Å; C200-C357 CovalentContact SG-SG 2.05Å; C200-C357 PolarHBondContact SG-SG 3.2Å
201N94.6Very high95.3Very high17 Ų1726.1 Ų26.19%0.09117%0.168CC..THydrogen-bonded Turntrans-80.6-12.6-179.7-16954.7000112.1D199 F203 S204 M205 C357 S359 N363D199-N201 PolarHBondContact O-N 3.25Å; D199-N201 VanDerWaalsContact O-N 3.11Å; D199-N201 WeakPolarHBondContact OD1-CB 3.34Å; D199-N201 PolarHBondContact OD1-N 2.83Å; N201-F203 PolarHBondContact O-N 3.47Å; N201-S204 PolarHBondContact O-N 3.17Å; N201-M205 WeakPolarHBondContact ND2-CG 3.23Å; N201-M205 WeakPolarHBondContact O-CB 3.4Å; N201-M205 WeakPolarHBondContact O-CG 3.45Å; N201-M205 PolarHBondContact O-N 2.88Å; N201-C357 PolarHBondContact N-SG 2.92Å; N201-S359 PolarHBondContact ND2-OG 3.35Å; N201-S359 PolarHBondContact OD1-N 3.14Å; N201-S359 PolarHBondContact OD1-OG 2.95Å; N201-N363 PolarHBondContact OD1-ND2 3.05Å
202G95Very high95.3Very high15 Ų1529.5 Ų29.516%0.15519%0.186CC..Hα-helixtrans-57.8-43.4-175.500000113.2D199 C200 M205 T206 A419D199-G202 PolarHBondContact O-N 3.1Å; C200-G202 VanDerWaalsContact C-N 3.28Å; G202-M205 PolarHBondContact O-N 2.96Å; G202-T206 PolarHBondContact O-N 3.35Å; G202-T206 PolarHBondContact O-OG1 3.42Å; G202-T206 VanDerWaalsContact O-OG1 3.04Å; G202-A419 VanDerWaalsContact C-CB 3.44Å
203F94.4Very high95.4Very high1 Ų134.2 Ų34.20%0.00421%0.207CC..Hα-helixtrans-58.9-54.1177.9-176.2-91.1000111.8N201 M205 T206 I207 T356 P416 W417 F420N201-F203 PolarHBondContact O-N 3.47Å; F203-M205 VanDerWaalsContact C-N 3.32Å; F203-M205 PolarHBondContact O-N 3.39Å; F203-T206 PolarHBondContact O-N 2.8Å; F203-I207 HydrophobicContact CD1-CD1 3.81Å; F203-I207 HydrophobicContact CE1-CD1 3.37Å; F203-I207 HydrophobicContact CE1-CG1 4.33Å; F203-I207 HydrophobicContact CZ-CD1 4.05Å; F203-I207 WeakPolarHBondContact O-CG1 3.36Å; F203-I207 PolarHBondContact O-N 2.88Å; F203-I207 VanDerWaalsContact O-N 3.08Å; F203-T356 HydrophobicContact CB-CG2 4.29Å; F203-T356 HydrophobicContact CG-CG2 4.43Å; F203-P416 HydrophobicContact CD1-CB 4.48Å; F203-P416 HydrophobicContact CD2-CB 3.65Å; F203-P416 HydrophobicContact CD2-CG 4.28Å; F203-P416 HydrophobicContact CE1-CB 4.44Å; F203-P416 HydrophobicContact CE2-CB 3.57Å; F203-P416 HydrophobicContact CE2-CG 3.68Å; F203-P416 HydrophobicContact CG-CB 4.11Å; F203-P416 HydrophobicContact CZ-CB 3.99Å; F203-P416 HydrophobicContact CZ-CG 3.92Å; F203-W417 HydrophobicContact CD2-CD2 4.19Å; F203-W417 HydrophobicContact CD2-CE3 4.27Å; F203-W417 HydrophobicContact CD2-CZ2 4.48Å; F203-W417 HydrophobicContact CD2-CZ3 4.47Å; F203-W417 AromaticContact CE2-CD2 3.8Å; F203-W417 HydrophobicContact CE2-CD2 3.8Å; F203-W417 AromaticContact CE2-CE2 3.52Å; F203-W417 HydrophobicContact CE2-CE3 4.28Å; F203-W417 HydrophobicContact CE2-CG 4.21Å; F203-W417 HydrophobicContact CE2-CH2 4.22Å; F203-W417 AromaticContact CE2-CZ2 3.74Å; F203-W417 HydrophobicContact CE2-CZ2 3.74Å; F203-W417 HydrophobicContact CE2-CZ3 4.48Å; F203-W417 AromaticContact CE2-NE1 3.81Å; F203-W417 HydrophobicContact CZ-CZ2 4.29Å; F203-F420 HydrophobicContact CB-CE2 3.89Å; F203-F420 HydrophobicContact CB-CZ 3.7Å; F203-F420 HydrophobicContact CD2-CE2 4.31Å; F203-F420 HydrophobicContact CG-CE2 4.45Å
204S95.7Very high95.5Very high0 Ų035.7 Ų35.70%021%0.212CC..Hα-helixtrans-63.5-36.1-179.3-55.70000112.8N201 I207 T208 C357 N363N201-S204 PolarHBondContact O-N 3.17Å; S204-I207 PolarHBondContact O-N 2.62Å; S204-T208 WeakPolarHBondContact O-CB 3.41Å; S204-T208 PolarHBondContact O-N 3.03Å; S204-T208 PolarHBondContact O-OG1 3.34Å; S204-C357 WeakPolarHBondContact CB-O 3.5Å; S204-C357 PolarHBondContact OG-O 3.43Å; S204-N363 VanDerWaalsContact C-OD1 3.23Å; S204-N363 WeakPolarHBondContact CB-OD1 3.42Å; S204-N363 PolarHBondContact O-OD1 3.25Å
205M96.1Very high95.6Very high50 Ų5036.4 Ų36.425%0.24622%0.22CC..Hα-helixtrans-69.9-38.7176-75.8-60.4-52.600112.5N201 G202 F203 I207 T208 N209 V362 N363N201-M205 WeakPolarHBondContact ND2-CG 3.23Å; N201-M205 WeakPolarHBondContact O-CB 3.4Å; N201-M205 WeakPolarHBondContact O-CG 3.45Å; N201-M205 PolarHBondContact O-N 2.88Å; G202-M205 PolarHBondContact O-N 2.96Å; F203-M205 VanDerWaalsContact C-N 3.32Å; F203-M205 PolarHBondContact O-N 3.39Å; M205-I207 VanDerWaalsContact C-N 3.34Å; M205-T208 WeakPolarHBondContact O-CB 3.35Å; M205-T208 PolarHBondContact O-N 3.26Å; M205-N209 WeakPolarHBondContact O-CB 3.18Å; M205-N209 PolarHBondContact O-N 2.89Å; M205-N209 PolarHBondContact O-ND2 3.13Å; M205-V362 HydrophobicContact CE-CG2 4.43Å; M205-V362 HydrophobicContact SD-CG2 3.71Å; M205-N363 PolarHBondContact N-OD1 2.58Å; M205-N363 PolarHBondContact SD-OD1 2.77Å
206T96.4Very high95.8Very high22 Ų2236.2 Ų36.214%0.13522%0.224CC..Hα-helixtrans-66.2-38.9175.6-59.50000111.3G202 F203 T208 N209 S210 D415 P416G202-T206 PolarHBondContact O-N 3.35Å; G202-T206 PolarHBondContact O-OG1 3.42Å; G202-T206 VanDerWaalsContact O-OG1 3.04Å; F203-T206 PolarHBondContact O-N 2.8Å; T206-T208 VanDerWaalsContact C-N 3.35Å; T206-T208 PolarHBondContact O-N 3.34Å; T206-N209 PolarHBondContact O-N 3.44Å; T206-S210 PolarHBondContact O-N 2.9Å; T206-D415 WeakPolarHBondContact CG2-O 3.28Å; T206-P416 HydrophobicContact CG2-CB 4.38Å
207I96.8Very high96Very high0 Ų038.1 Ų38.10%021%0.212CC..Hα-helixtrans-55.9-52.7169.3-65.3177.8000109.7F203 S204 M205 N209 S210 F211 I364 M365 P416F203-I207 HydrophobicContact CD1-CD1 3.81Å; F203-I207 HydrophobicContact CE1-CD1 3.37Å; F203-I207 HydrophobicContact CE1-CG1 4.33Å; F203-I207 HydrophobicContact CZ-CD1 4.05Å; F203-I207 WeakPolarHBondContact O-CG1 3.36Å; F203-I207 PolarHBondContact O-N 2.88Å; F203-I207 VanDerWaalsContact O-N 3.08Å; S204-I207 PolarHBondContact O-N 2.62Å; M205-I207 VanDerWaalsContact C-N 3.34Å; I207-N209 VanDerWaalsContact C-N 3.29Å; I207-N209 PolarHBondContact O-N 3.05Å; I207-S210 WeakPolarHBondContact O-CB 3.41Å; I207-S210 PolarHBondContact O-N 3.32Å; I207-S210 VanDerWaalsContact O-N 3.1Å; I207-F211 HydrophobicContact CG2-CD2 3.88Å; I207-F211 HydrophobicContact CG2-CE2 3.85Å; I207-F211 WeakPolarHBondContact O-CD2 3.23Å; I207-F211 PolarHBondContact O-N 3.06Å; I207-I364 HydrophobicContact CG2-CD1 3.51Å; I207-I364 HydrophobicContact CG2-CG1 3.84Å; I207-M365 HydrophobicContact CD1-CE 3.84Å; I207-M365 HydrophobicContact CD1-CG 4.32Å; I207-M365 HydrophobicContact CD1-SD 3.9Å; I207-M365 HydrophobicContact CG2-SD 4.12Å; I207-P416 HydrophobicContact CD1-CB 4.35Å; I207-P416 HydrophobicContact CG1-CB 3.62Å; I207-P416 HydrophobicContact CG1-CG 4.01Å
208T97.3Very high96.1Very high9 Ų939.6 Ų39.66%0.05522%0.22CC..Hα-helixtrans-55.3-44.6-179.9-610000111.8S204 M205 T206 F211 L212 V362 N363 I364S204-T208 WeakPolarHBondContact O-CB 3.41Å; S204-T208 PolarHBondContact O-N 3.03Å; S204-T208 PolarHBondContact O-OG1 3.34Å; M205-T208 WeakPolarHBondContact O-CB 3.35Å; M205-T208 PolarHBondContact O-N 3.26Å; T206-T208 VanDerWaalsContact C-N 3.35Å; T206-T208 PolarHBondContact O-N 3.34Å; T208-F211 PolarHBondContact O-N 3.4Å; T208-L212 WeakPolarHBondContact O-CB 3.43Å; T208-L212 PolarHBondContact O-N 3.19Å; T208-V362 WeakPolarHBondContact CG2-O 3.13Å; T208-N363 WeakPolarHBondContact OG1-CA 3.37Å; T208-I364 HydrophobicContact CG2-CG2 4.19Å; T208-I364 PolarHBondContact OG1-N 3.27Å
209N97Very high96.2Very high88 Ų8838 Ų3847%0.47121%0.209SC..Hα-helixtrans-65.7-38.4178.4-69.7-23.7000112.3M205 T206 I207 L212 K213M205-N209 WeakPolarHBondContact O-CB 3.18Å; M205-N209 PolarHBondContact O-N 2.89Å; M205-N209 PolarHBondContact O-ND2 3.13Å; T206-N209 PolarHBondContact O-N 3.44Å; I207-N209 VanDerWaalsContact C-N 3.29Å; I207-N209 PolarHBondContact O-N 3.05Å; N209-L212 PolarHBondContact O-N 3.44Å; N209-K213 WeakPolarHBondContact O-CB 3.44Å; N209-K213 PolarHBondContact O-N 3.35Å
210S96.9Very high96.4Very high2 Ų233.3 Ų33.31%0.01418%0.184CC..Hα-helixtrans-61-48.3173.6-173.50000110.9T206 I207 L212 K213 Y214T206-S210 PolarHBondContact O-N 2.9Å; I207-S210 WeakPolarHBondContact O-CB 3.41Å; I207-S210 PolarHBondContact O-N 3.32Å; I207-S210 VanDerWaalsContact O-N 3.1Å; S210-L212 PolarHBondContact O-N 3.48Å; S210-K213 PolarHBondContact O-N 3.38Å; S210-Y214 VanDerWaalsContact O-CD2 3.25Å; S210-Y214 WeakPolarHBondContact O-CD2 3.16Å; S210-Y214 PolarHBondContact O-N 3.07Å
211F97.8Very high96.4Very high0 Ų035.1 Ų35.10%019%0.188CC..Hα-helixtrans-64.3-38.4176.1-85-106000113.1I207 T208 K213 G215 G216 V220 I223 L267 I270 V290 L293 I364I207-F211 HydrophobicContact CG2-CD2 3.88Å; I207-F211 HydrophobicContact CG2-CE2 3.85Å; I207-F211 WeakPolarHBondContact O-CD2 3.23Å; I207-F211 PolarHBondContact O-N 3.06Å; T208-F211 PolarHBondContact O-N 3.4Å; F211-K213 VanDerWaalsContact C-N 3.34Å; F211-K213 PolarHBondContact O-N 2.86Å; F211-G215 CarbonylContact O-C 3.45Å; F211-G215 WeakPolarHBondContact O-CA 3.34Å; F211-G215 PolarHBondContact O-N 3.18Å; F211-G216 PolarHBondContact O-N 2.8Å; F211-V220 HydrophobicContact CB-CG2 4.05Å; F211-I223 HydrophobicContact CD1-CD1 3.61Å; F211-I223 HydrophobicContact CE1-CD1 3.59Å; F211-L267 HydrophobicContact CE1-CD2 3.74Å; F211-L267 HydrophobicContact CZ-CB 4.35Å; F211-L267 HydrophobicContact CZ-CD2 3.5Å; F211-L267 VanDerWaalsContact CZ-CD2 3.5Å; F211-I270 HydrophobicContact CE1-CD1 4.31Å; F211-I270 HydrophobicContact CE2-CG1 4.48Å; F211-I270 HydrophobicContact CZ-CD1 3.73Å; F211-I270 HydrophobicContact CZ-CG1 3.95Å; F211-V290 HydrophobicContact CB-CG1 4.33Å; F211-V290 HydrophobicContact CD1-CG1 3.81Å; F211-V290 HydrophobicContact CD2-CG1 3.93Å; F211-V290 HydrophobicContact CD2-CG2 4.31Å; F211-V290 HydrophobicContact CE1-CG1 4.09Å; F211-V290 HydrophobicContact CE2-CG1 4.22Å; F211-V290 HydrophobicContact CE2-CG2 3.98Å; F211-V290 HydrophobicContact CG-CG1 3.75Å; F211-V290 HydrophobicContact CZ-CG1 4.31Å; F211-V290 HydrophobicContact CZ-CG2 4.23Å; F211-L293 HydrophobicContact CE1-CD2 4.44Å; F211-I364 HydrophobicContact CB-CD1 3.94Å; F211-I364 HydrophobicContact CD1-CD1 3.82Å; F211-I364 HydrophobicContact CD2-CD1 3.31Å; F211-I364 HydrophobicContact CE1-CD1 4.08Å; F211-I364 HydrophobicContact CE2-CD1 3.59Å; F211-I364 HydrophobicContact CG-CD1 3.41Å; F211-I364 VanDerWaalsContact CG-CD1 3.41Å; F211-I364 HydrophobicContact CZ-CD1 3.95Å
212L97.1Very high96.5Very high80 Ų8034.9 Ų34.942%0.41919%0.187SC..Hα-helixtrans-62.4-43.7175-175.562.6000111.1T208 N209 S210 G216 E217 V220T208-L212 WeakPolarHBondContact O-CB 3.43Å; T208-L212 PolarHBondContact O-N 3.19Å; N209-L212 PolarHBondContact O-N 3.44Å; S210-L212 PolarHBondContact O-N 3.48Å; L212-G216 WeakPolarHBondContact O-CA 3.35Å; L212-G216 PolarHBondContact O-N 2.67Å; L212-E217 HydrophobicContact CD1-CB 4.48Å; L212-E217 HydrophobicContact CD1-CG 3.77Å; L212-V220 HydrophobicContact CB-CG2 4.18Å; L212-V220 HydrophobicContact CD1-CG2 4.34Å
213K97.3Very high96.5Very high107 Ų10734.1 Ų34.147%0.46518%0.179SC..Hα-helixtrans-67.6-46.1-178.8-177.4174.1176.3-177.40113N209 S210 F211 D438N209-K213 WeakPolarHBondContact O-CB 3.44Å; N209-K213 PolarHBondContact O-N 3.35Å; S210-K213 PolarHBondContact O-N 3.38Å; F211-K213 VanDerWaalsContact C-N 3.34Å; F211-K213 PolarHBondContact O-N 2.86Å; K213-D438 WeakPolarHBondContact CE-OD1 3.17Å; K213-D438 IonicContact NZ-OD1 2.9Å; K213-D438 PolarHBondContact NZ-OD1 3.11Å; K213-D438 IonicContact NZ-OD2 3.89Å
214Y97.2Very high96.5Very high35 Ų3536.5 Ų36.514%0.13719%0.191CC..Hα-helixtrans-100.4-22.6-173.2-63.7-76.1000114.6S210 N274 W288 I414 D438S210-Y214 VanDerWaalsContact O-CD2 3.25Å; S210-Y214 WeakPolarHBondContact O-CD2 3.16Å; S210-Y214 PolarHBondContact O-N 3.07Å; Y214-N274 VanDerWaalsContact CD2-ND2 3.28Å; Y214-N274 WeakPolarHBondContact CD2-ND2 3.12Å; Y214-W288 HydrophobicContact CD1-CE3 4.02Å; Y214-W288 HydrophobicContact CD1-CZ3 4.25Å; Y214-W288 HydrophobicContact CE1-CD2 4.38Å; Y214-W288 AromaticContact CE1-CE3 3.77Å; Y214-W288 HydrophobicContact CE1-CE3 3.77Å; Y214-W288 AromaticContact CE1-CH2 3.94Å; Y214-W288 HydrophobicContact CE1-CH2 3.94Å; Y214-W288 HydrophobicContact CE1-CZ2 4.5Å; Y214-W288 AromaticContact CE1-CZ3 3.54Å; Y214-W288 HydrophobicContact CE1-CZ3 3.54Å; Y214-W288 HydrophobicContact CE2-CZ3 4.27Å; Y214-W288 AromaticContact CZ-CZ3 3.57Å; Y214-I414 HydrophobicContact CE2-CB 4.37Å; Y214-I414 HydrophobicContact CE2-CD1 3.63Å; Y214-I414 HydrophobicContact CE2-CG2 3.87Å; Y214-D438 WeakPolarHBondContact OH-CA 3.14Å; Y214-D438 PolarHBondContact OH-OD1 2.65Å
215G96.7Very high96.4Very high18 Ų1839.5 Ų39.519%0.18621%0.206CC..Hα-helixtrans-105.4-24.2-177.700000115F211 C219 C294F211-G215 CarbonylContact O-C 3.45Å; F211-G215 WeakPolarHBondContact O-CA 3.34Å; F211-G215 PolarHBondContact O-N 3.18Å; G215-C219 WeakPolarHBondContact O-CB 3.14Å; G215-C294 VanDerWaalsContact CA-CB 3.44Å; G215-C294 WeakPolarHBondContact CA-SG 3.4Å
216G96.7Very high96.3Very high30 Ų3037.2 Ų37.231%0.30920%0.195SC..Hα-helixtrans80.6167.4-177.500000114.1F211 L212 N218 C219 V220F211-G216 PolarHBondContact O-N 2.8Å; L212-G216 WeakPolarHBondContact O-CA 3.35Å; L212-G216 PolarHBondContact O-N 2.67Å; G216-N218 VanDerWaalsContact C-N 3.3Å; G216-N218 PolarHBondContact O-N 2.83Å; G216-C219 PolarHBondContact O-N 2.94Å; G216-V220 PolarHBondContact O-N 2.72Å
217E96.4Very high96.2Very high120 Ų12036.6 Ų36.656%0.56119%0.19SC*.Hα-helixtrans-59-36.8-173.9-70.8-172.1-164.600114.2L212 C219 V220 K221L212-E217 HydrophobicContact CD1-CB 4.48Å; L212-E217 HydrophobicContact CD1-CG 3.77Å; E217-C219 VanDerWaalsContact C-N 3.35Å; E217-V220 PolarHBondContact O-N 2.73Å; E217-K221 WeakPolarHBondContact O-CB 3.48Å; E217-K221 WeakPolarHBondContact O-CG 2.97Å; E217-K221 PolarHBondContact O-N 2.69Å; E217-K221 IonicContact OE2-NZ 3.42Å; E217-K221 PolarHBondContact OE2-NZ 3.41Å
218N96.7Very high96Very high61 Ų6139.3 Ų39.333%0.32621%0.209SC..Hα-helixtrans-67-38.8-178.7-71.2-13.9000111.4G216 K221 N222 L297 S298G216-N218 VanDerWaalsContact C-N 3.3Å; G216-N218 PolarHBondContact O-N 2.83Å; N218-K221 PolarHBondContact O-N 3.02Å; N218-N222 WeakPolarHBondContact O-CB 3.46Å; N218-N222 PolarHBondContact O-N 2.98Å; N218-N222 PolarHBondContact O-ND2 3.18Å; N218-N222 VanDerWaalsContact O-ND2 3.1Å; N218-L297 CarbonylContact C-O 3.52Å; N218-S298 VanDerWaalsContact CB-O 3.25Å; N218-S298 WeakPolarHBondContact CB-O 3.46Å; N218-S298 PolarHBondContact ND2-O 2.04Å
219C97.2Very high95.9Very high0 Ų039.6 Ų39.60%021%0.21CC..Hα-helixtrans-62.1-47.1174.8-172.60000110.8G215 G216 E217 K221 N222 I223 C294 L297G215-C219 WeakPolarHBondContact O-CB 3.14Å; G216-C219 PolarHBondContact O-N 2.94Å; E217-C219 VanDerWaalsContact C-N 3.35Å; C219-K221 PolarHBondContact O-N 3.37Å; C219-N222 PolarHBondContact O-N 3.22Å; C219-I223 WeakPolarHBondContact O-CG1 3.19Å; C219-I223 PolarHBondContact O-N 3.29Å; C219-C294 HydrophobicContact CB-CB 3.57Å; C219-C294 WeakPolarHBondContact CB-SG 3.44Å; C219-C294 VanDerWaalsContact SG-CA 3.52Å; C219-C294 WeakPolarHBondContact SG-CB 3.33Å; C219-C294 CovalentContact SG-SG 2.03Å; C219-C294 PolarHBondContact SG-SG 3.32Å; C219-L297 WeakPolarHBondContact CA-O 3.41Å; C219-L297 HydrophobicContact CB-CB 4.22Å; C219-L297 PolarHBondContact N-O 2.91Å
220V96.8Very high95.8Very high11 Ų1135.4 Ų35.47%0.06719%0.188CC..Hα-helixtrans-57.1-49.3176.6168.40000111.3F211 L212 G216 E217 N222 I223 Q224 I364F211-V220 HydrophobicContact CB-CG2 4.05Å; L212-V220 HydrophobicContact CB-CG2 4.18Å; L212-V220 HydrophobicContact CD1-CG2 4.34Å; G216-V220 PolarHBondContact O-N 2.72Å; E217-V220 PolarHBondContact O-N 2.73Å; V220-N222 PolarHBondContact O-N 3.35Å; V220-I223 PolarHBondContact O-N 3.03Å; V220-Q224 HydrophobicContact CG1-CG 4.37Å; V220-Q224 WeakPolarHBondContact O-CB 3.41Å; V220-Q224 VanDerWaalsContact O-CG 3.28Å; V220-Q224 WeakPolarHBondContact O-CG 3.42Å; V220-Q224 PolarHBondContact O-N 3.44Å; V220-I364 HydrophobicContact CB-CG2 4.26Å; V220-I364 HydrophobicContact CG1-CG2 3.83Å; V220-I364 HydrophobicContact CG2-CG2 4.15Å
221K95.1Very high95.7Very high72 Ų7236.8 Ų36.831%0.31320%0.197SC..Hα-helixtrans-61.8-43.4179-72.9167-172.5157.20112.3E217 N218 C219 I223 Q224 L225 Y300E217-K221 WeakPolarHBondContact O-CB 3.48Å; E217-K221 WeakPolarHBondContact O-CG 2.97Å; E217-K221 PolarHBondContact O-N 2.69Å; E217-K221 IonicContact OE2-NZ 3.42Å; E217-K221 PolarHBondContact OE2-NZ 3.41Å; N218-K221 PolarHBondContact O-N 3.02Å; C219-K221 PolarHBondContact O-N 3.37Å; K221-I223 VanDerWaalsContact C-N 3.35Å; K221-I223 PolarHBondContact O-N 3Å; K221-Q224 PolarHBondContact O-N 3.49Å; K221-L225 WeakPolarHBondContact O-CG 3.39Å; K221-L225 PolarHBondContact O-N 3.5Å; K221-L225 VanDerWaalsContact O-N 3.15Å; K221-Y300 HydrophobicContact CB-CD2 4.13Å; K221-Y300 HydrophobicContact CB-CE2 4.33Å; K221-Y300 HydrophobicContact CB-CG 4.24Å; K221-Y300 HydrophobicContact CD-CD1 4.18Å; K221-Y300 HydrophobicContact CD-CE1 4.4Å
222N95.6Very high95.6Very high11 Ų1141 Ų416%0.05922%0.219CC..Hα-helixtrans-59.9-43.7176.8-84.3-45.2000111.9N218 C219 V220 S226 L297 E299 Y300N218-N222 WeakPolarHBondContact O-CB 3.46Å; N218-N222 PolarHBondContact O-N 2.98Å; N218-N222 PolarHBondContact O-ND2 3.18Å; N218-N222 VanDerWaalsContact O-ND2 3.1Å; C219-N222 PolarHBondContact O-N 3.22Å; V220-N222 PolarHBondContact O-N 3.35Å; N222-S226 PolarHBondContact O-N 3.37Å; N222-L297 HydrophobicContact CB-CB 4.31Å; N222-L297 HydrophobicContact CB-CD1 4.47Å; N222-L297 HydrophobicContact CB-CD2 4.22Å; N222-L297 PolarHBondContact ND2-O 2.93Å; N222-L297 VanDerWaalsContact ND2-O 3.08Å; N222-E299 PolarHBondContact ND2-O 3.22Å; N222-Y300 WeakPolarHBondContact OD1-CD2 3.32Å
223I96.1Very high95.5Very high0 Ų038.2 Ų38.20%020%0.204CC..Hα-helixtrans-69-47.6178.8-64.5167.1000110.8F211 C219 V220 K221 L225 S226 W227 L267 L293 L297 I364F211-I223 HydrophobicContact CD1-CD1 3.61Å; F211-I223 HydrophobicContact CE1-CD1 3.59Å; C219-I223 WeakPolarHBondContact O-CG1 3.19Å; C219-I223 PolarHBondContact O-N 3.29Å; V220-I223 PolarHBondContact O-N 3.03Å; K221-I223 VanDerWaalsContact C-N 3.35Å; K221-I223 PolarHBondContact O-N 3Å; I223-L225 VanDerWaalsContact C-N 3.3Å; I223-L225 PolarHBondContact O-N 3.07Å; I223-S226 VanDerWaalsContact O-CB 3.28Å; I223-S226 WeakPolarHBondContact O-CB 3.45Å; I223-S226 PolarHBondContact O-N 3.07Å; I223-S226 PolarHBondContact O-OG 3.26Å; I223-W227 HydrophobicContact CG2-CZ2 4.12Å; I223-L267 HydrophobicContact CD1-CD2 4.2Å; I223-L267 HydrophobicContact CG2-CD1 3.73Å; I223-L293 HydrophobicContact CD1-CD2 4.39Å; I223-L297 HydrophobicContact CD1-CD1 4.32Å; I223-L297 HydrophobicContact CG1-CD1 3.91Å; I223-I364 HydrophobicContact CB-CB 4.5Å; I223-I364 HydrophobicContact CG2-CB 3.92Å
224Q94.7Very high95.5Very high51 Ų5133.2 Ų33.224%0.23818%0.183CC..Hα-helixtrans-55.2-43.3-179.5-78.5171.8-21.400113V220 K221 S226 P361 V362 N363 I364V220-Q224 HydrophobicContact CG1-CG 4.37Å; V220-Q224 WeakPolarHBondContact O-CB 3.41Å; V220-Q224 VanDerWaalsContact O-CG 3.28Å; V220-Q224 WeakPolarHBondContact O-CG 3.42Å; V220-Q224 PolarHBondContact O-N 3.44Å; K221-Q224 PolarHBondContact O-N 3.49Å; Q224-S226 VanDerWaalsContact C-N 3.29Å; Q224-P361 PolarHBondContact NE2-O 3.28Å; Q224-P361 VanDerWaalsContact NE2-O 3.14Å; Q224-V362 VanDerWaalsContact NE2-C 3.3Å; Q224-V362 PolarHBondContact NE2-O 3.45Å; Q224-N363 WeakPolarHBondContact CG-O 3.31Å; Q224-I364 HydrophobicContact CG-CG2 4.39Å
225L92.2Very high95.3Very high63 Ų6337.8 Ų37.833%0.3321%0.206SC..Hα-helixtrans-77.4-16.9179.6-68.6167.5000113K221 I223 W227 S228 N229 Y300K221-L225 WeakPolarHBondContact O-CG 3.39Å; K221-L225 PolarHBondContact O-N 3.5Å; K221-L225 VanDerWaalsContact O-N 3.15Å; I223-L225 VanDerWaalsContact C-N 3.3Å; I223-L225 PolarHBondContact O-N 3.07Å; L225-W227 VanDerWaalsContact C-N 3.28Å; L225-W227 PolarHBondContact O-N 2.96Å; L225-S228 PolarHBondContact O-OG 2.77Å; L225-N229 WeakPolarHBondContact O-CB 3.27Å; L225-N229 PolarHBondContact O-N 2.89Å; L225-N229 PolarHBondContact O-ND2 3.23Å; L225-Y300 HydrophobicContact CD1-CE2 3.48Å; L225-Y300 VanDerWaalsContact CD1-CE2 3.48Å; L225-Y300 WeakPolarHBondContact CD1-OH 3.41Å
226S94.4Very high95.3Very high2 Ų239.7 Ų39.71%0.01422%0.216CC..Hα-helixtrans-64.7-32.9-176.975.50000112.6N222 I223 Q224 N229 I230 L313N222-S226 PolarHBondContact O-N 3.37Å; I223-S226 VanDerWaalsContact O-CB 3.28Å; I223-S226 WeakPolarHBondContact O-CB 3.45Å; I223-S226 PolarHBondContact O-N 3.07Å; I223-S226 PolarHBondContact O-OG 3.26Å; Q224-S226 VanDerWaalsContact C-N 3.29Å; S226-N229 PolarHBondContact O-N 2.98Å; S226-I230 WeakPolarHBondContact O-CB 3.19Å; S226-I230 VanDerWaalsContact O-CG1 3.23Å; S226-I230 WeakPolarHBondContact O-CG1 3.24Å; S226-I230 PolarHBondContact O-N 2.96Å; S226-L313 WeakPolarHBondContact OG-CD2 3.05Å
227W94.3Very high95.3Very high8 Ų843.9 Ų43.93%0.0324%0.235CC..Hα-helixtrans-62.8-53.3-175.9-52.6122.3000112.6I223 L225 N229 I230 V231 I260 L263 L267 I364 P366I223-W227 HydrophobicContact CG2-CZ2 4.12Å; L225-W227 VanDerWaalsContact C-N 3.28Å; L225-W227 PolarHBondContact O-N 2.96Å; W227-N229 VanDerWaalsContact C-N 3.3Å; W227-N229 PolarHBondContact O-N 3.39Å; W227-I230 PolarHBondContact O-N 2.82Å; W227-V231 WeakPolarHBondContact O-CG2 3.48Å; W227-V231 PolarHBondContact O-N 2.96Å; W227-I260 HydrophobicContact CE3-CG1 4.5Å; W227-I260 HydrophobicContact CE3-CG2 4.11Å; W227-I260 HydrophobicContact CZ3-CG2 4.24Å; W227-L263 HydrophobicContact CH2-CB 3.89Å; W227-L263 HydrophobicContact CZ3-CB 3.84Å; W227-L263 HydrophobicContact CZ3-CD1 4.36Å; W227-L267 HydrophobicContact CH2-CD1 3.8Å; W227-L267 HydrophobicContact CZ2-CD1 3.61Å; W227-I364 VanDerWaalsContact CE2-O 3.32Å; W227-I364 WeakPolarHBondContact CZ2-O 3.28Å; W227-I364 PolarHBondContact NE1-O 2.93Å; W227-P366 HydrophobicContact CD2-CB 3.92Å; W227-P366 HydrophobicContact CD2-CG 4.44Å; W227-P366 HydrophobicContact CE3-CB 4.3Å; W227-P366 HydrophobicContact CG-CB 4Å
228S92.8Very high95.3Very high57 Ų5743.9 Ų43.940%0.39924%0.239SC..Hα-helixtrans-64.2-38.6177.3560000111.4L225 V231 D232L225-S228 PolarHBondContact O-OG 2.77Å; S228-V231 PolarHBondContact O-N 2.91Å; S228-D232 WeakPolarHBondContact O-CB 3.38Å; S228-D232 PolarHBondContact O-N 3.44Å
229N94.7Very high95.3Very high15 Ų1541.2 Ų41.28%0.0823%0.226CC..Hα-helixtrans-64.4-40.4178.7-72.1-18.5000112.6L225 S226 W227 I233 V306 I310L225-N229 WeakPolarHBondContact O-CB 3.27Å; L225-N229 PolarHBondContact O-N 2.89Å; L225-N229 PolarHBondContact O-ND2 3.23Å; S226-N229 PolarHBondContact O-N 2.98Å; W227-N229 VanDerWaalsContact C-N 3.3Å; W227-N229 PolarHBondContact O-N 3.39Å; N229-I233 VanDerWaalsContact O-CG1 3.29Å; N229-I233 WeakPolarHBondContact O-CG1 3.44Å; N229-I233 PolarHBondContact O-N 2.88Å; N229-V306 HydrophobicContact CB-CG1 3.54Å; N229-V306 VanDerWaalsContact CG-CG1 3.49Å; N229-I310 HydrophobicContact CB-CD1 3.67Å; N229-I310 HydrophobicContact CB-CG1 3.97Å
230I96.2Very high95.3Very high0 Ų044 Ų440%024%0.238CC..Hα-helixtrans-66.1-44.6175.3-73.2166.1000110.1S226 W227 D232 G234 L243 F247 V256 I259 I260 L263 I310 L313S226-I230 WeakPolarHBondContact O-CB 3.19Å; S226-I230 VanDerWaalsContact O-CG1 3.23Å; S226-I230 WeakPolarHBondContact O-CG1 3.24Å; S226-I230 PolarHBondContact O-N 2.96Å; W227-I230 PolarHBondContact O-N 2.82Å; I230-D232 PolarHBondContact O-N 2.78Å; I230-G234 PolarHBondContact O-N 3.35Å; I230-L243 HydrophobicContact CG1-CD2 4.47Å; I230-L243 HydrophobicContact CG2-CD1 4.14Å; I230-F247 HydrophobicContact CD1-CZ 4.48Å; I230-V256 HydrophobicContact CG2-CG1 3.74Å; I230-I259 HydrophobicContact CG2-CG2 3.98Å; I230-I260 HydrophobicContact CG2-CD1 4.45Å; I230-I260 HydrophobicContact CG2-CG1 4.05Å; I230-L263 HydrophobicContact CD1-CD1 3.68Å; I230-I310 HydrophobicContact CD1-CD1 4.48Å; I230-I310 HydrophobicContact CG1-CD1 3.91Å; I230-I310 HydrophobicContact CG1-CG1 4.39Å; I230-I310 HydrophobicContact CG1-CG2 4.18Å; I230-L313 HydrophobicContact CD1-CD2 4.29Å
231V94.8Very high95.3Very high32 Ų3248.7 Ų48.719%0.19426%0.26CS..Hα-helixtrans-57.5-49.4174.9171.30000110.7L5 W227 S228 G234 Q235 I260L5-V231 HydrophobicContact CD1-CG1 4.27Å; W227-V231 WeakPolarHBondContact O-CG2 3.48Å; W227-V231 PolarHBondContact O-N 2.96Å; S228-V231 PolarHBondContact O-N 2.91Å; V231-G234 PolarHBondContact O-N 3.24Å; V231-Q235 WeakPolarHBondContact O-CG 3.35Å; V231-Q235 PolarHBondContact O-N 3.42Å; V231-I260 HydrophobicContact CG2-CD1 3.61Å
232D94.5Very high95.5Very high88 Ų8848.5 Ų48.547%0.47126%0.262SS..Hα-helixtrans-63.9-45-177.3-71.9-18.9000112.3S228 I230S228-D232 WeakPolarHBondContact O-CB 3.38Å; S228-D232 PolarHBondContact O-N 3.44Å; I230-D232 PolarHBondContact O-N 2.78Å
233I95.9Very high95.6Very high22 Ų2248 Ų4811%0.11326%0.259CS..Hα-helixtrans-61-47.8174.3-69.4168.6000109.7N229 Q235 G239 L242 L243 V306 V307 I310N229-I233 VanDerWaalsContact O-CG1 3.29Å; N229-I233 WeakPolarHBondContact O-CG1 3.44Å; N229-I233 PolarHBondContact O-N 2.88Å; I233-Q235 PolarHBondContact O-N 3.12Å; I233-Q235 VanDerWaalsContact O-N 3.08Å; I233-G239 WeakPolarHBondContact CG2-O 3.24Å; I233-G239 VanDerWaalsContact O-CA 3.28Å; I233-G239 WeakPolarHBondContact O-CA 3.18Å; I233-L242 HydrophobicContact CG2-CD2 4.24Å; I233-L243 HydrophobicContact CB-CD1 4.43Å; I233-L243 HydrophobicContact CG2-CD1 4.08Å; I233-L243 HydrophobicContact CG2-CD2 4.18Å; I233-L243 HydrophobicContact CG2-CG 3.8Å; I233-V306 HydrophobicContact CD1-CG1 4.06Å; I233-V306 HydrophobicContact CG1-CG1 4.39Å; I233-V307 HydrophobicContact CD1-CG2 4.41Å; I233-I310 HydrophobicContact CD1-CB 4.37Å; I233-I310 HydrophobicContact CD1-CG1 3.95Å
234G96.1Very high95.6Very high2 Ų248.7 Ų48.72%0.02126%0.263CS..THydrogen-bonded Turntrans-72.82.5-172.500000116I230 V231 S236 K240 V256I230-G234 PolarHBondContact O-N 3.35Å; V231-G234 PolarHBondContact O-N 3.24Å; G234-S236 VanDerWaalsContact C-N 3.29Å; G234-S236 PolarHBondContact O-N 3.46Å; G234-K240 WeakPolarHBondContact O-CE 3.45Å; G234-K240 WeakPolarHBondContact O-CG 3.29Å; G234-V256 VanDerWaalsContact CA-CG2 3.46Å; G234-V256 WeakPolarHBondContact O-CG2 3.43Å
235Q94.5Very high95.8Very high130 Ų13052.6 Ų52.661%0.60728%0.281SS*.THydrogen-bonded Turntrans-68.1-28.3175.7-65.6-177.62.100112.9V231 I233V231-Q235 WeakPolarHBondContact O-CG 3.35Å; V231-Q235 PolarHBondContact O-N 3.42Å; I233-Q235 PolarHBondContact O-N 3.12Å; I233-Q235 VanDerWaalsContact O-N 3.08Å
236S95.7Very high96Very high58 Ų5851.1 Ų51.141%0.40627%0.273SS..SBendtrans-102.1160.7179.971.30000112.4G234 G239 K240G234-S236 VanDerWaalsContact C-N 3.29Å; G234-S236 PolarHBondContact O-N 3.46Å; S236-G239 PolarHBondContact O-N 2.82Å; S236-G239 PolarHBondContact OG-N 3.38Å; S236-K240 WeakPolarHBondContact O-CG 3.24Å; S236-K240 PolarHBondContact O-N 2.89Å
237V96Very high96.1Very high118 Ų11851 Ų5172%0.71527%0.273SS*.Hα-helixtrans-61.6-50.7173.9177.60000110.2G239 K240 E241V237-G239 PolarHBondContact O-N 2.9Å; V237-K240 PolarHBondContact O-N 3.33Å; V237-K240 VanDerWaalsContact O-N 3.12Å; V237-E241 PolarHBondContact O-N 2.88Å
238D96.5Very high96.2Very high121 Ų12154.2 Ų54.265%0.64729%0.29SS*.Hα-helixtrans-58.4-35.1177.4-57.1-1.9000112.2E241 L242D238-E241 PolarHBondContact O-N 2.95Å; D238-L242 VanDerWaalsContact O-CB 3.31Å; D238-L242 WeakPolarHBondContact O-CB 3.27Å; D238-L242 PolarHBondContact O-N 3.16Å
239G97Very high96.3Very high5 Ų552.1 Ų52.15%0.05227%0.274CS..Hα-helixtrans-71.8-37.1177.700000113.3I233 S236 V237 L242 L243I233-G239 WeakPolarHBondContact CG2-O 3.24Å; I233-G239 VanDerWaalsContact O-CA 3.28Å; I233-G239 WeakPolarHBondContact O-CA 3.18Å; S236-G239 PolarHBondContact O-N 2.82Å; S236-G239 PolarHBondContact OG-N 3.38Å; V237-G239 PolarHBondContact O-N 2.9Å; G239-L242 WeakPolarHBondContact O-CB 3.4Å; G239-L242 PolarHBondContact O-N 3.2Å; G239-L243 WeakPolarHBondContact O-CG 3.48Å; G239-L243 PolarHBondContact O-N 3.48Å
240K97.4Very high96.3Very high57 Ų5754.1 Ų54.125%0.24829%0.289CS..Hα-helixtrans-66-39.4171-69.2176-172.1-177.30111.9G234 S236 V237 L243 T244 L253 T254 V256G234-K240 WeakPolarHBondContact O-CE 3.45Å; G234-K240 WeakPolarHBondContact O-CG 3.29Å; S236-K240 WeakPolarHBondContact O-CG 3.24Å; S236-K240 PolarHBondContact O-N 2.89Å; V237-K240 PolarHBondContact O-N 3.33Å; V237-K240 VanDerWaalsContact O-N 3.12Å; K240-L243 PolarHBondContact O-N 3.15Å; K240-T244 WeakPolarHBondContact O-CB 3.45Å; K240-T244 PolarHBondContact O-N 2.99Å; K240-T244 PolarHBondContact O-OG1 3.33Å; K240-L253 HydrophobicContact CB-CB 4.39Å; K240-T254 PolarHBondContact NZ-O 2.55Å; K240-V256 HydrophobicContact CG-CG2 4.26Å
241E97.7Very high96.2Very high110 Ų11057.7 Ų57.751%0.51431%0.311SS..Hα-helixtrans-62.9-44.3173.1-175.4173.2-16500111V237 D238 L243 T244 H245V237-E241 PolarHBondContact O-N 2.88Å; D238-E241 PolarHBondContact O-N 2.95Å; E241-L243 PolarHBondContact O-N 2.78Å; E241-T244 WeakPolarHBondContact O-CB 3.42Å; E241-T244 PolarHBondContact O-N 3.2Å; E241-H245 PolarHBondContact O-CD2 2.88Å; E241-H245 PolarHBondContact O-N 3.03Å; E241-H245 IonicContact OE1-NE2 2.79Å
242L97.6Very high96.2Very high68 Ų6861.1 Ų61.136%0.35633%0.333SS..Hα-helixtrans-57.7-47174.3178.162.2000112.1I233 D238 G239 H245 M246 V307I233-L242 HydrophobicContact CG2-CD2 4.24Å; D238-L242 VanDerWaalsContact O-CB 3.31Å; D238-L242 WeakPolarHBondContact O-CB 3.27Å; D238-L242 PolarHBondContact O-N 3.16Å; G239-L242 WeakPolarHBondContact O-CB 3.4Å; G239-L242 PolarHBondContact O-N 3.2Å; L242-H245 PolarHBondContact O-N 3.38Å; L242-M246 HydrophobicContact CD1-CE 4.02Å; L242-M246 HydrophobicContact CD2-CE 4.39Å; L242-M246 HydrophobicContact CG-CE 4.01Å; L242-M246 WeakPolarHBondContact O-CB 3.5Å; L242-M246 PolarHBondContact O-N 3.16Å; L242-V307 HydrophobicContact CD2-CG1 4.18Å; L242-V307 HydrophobicContact CD2-CG2 4.16Å
243L97.8Very high96.1Very high0 Ų057.5 Ų57.50%031%0.314CS..Hα-helixtrans-63.9-40.9176.5-70.7171.2000112I230 I233 G239 K240 E241 H245 M246 F247 L253 I310I230-L243 HydrophobicContact CG1-CD2 4.47Å; I230-L243 HydrophobicContact CG2-CD1 4.14Å; I233-L243 HydrophobicContact CB-CD1 4.43Å; I233-L243 HydrophobicContact CG2-CD1 4.08Å; I233-L243 HydrophobicContact CG2-CD2 4.18Å; I233-L243 HydrophobicContact CG2-CG 3.8Å; G239-L243 WeakPolarHBondContact O-CG 3.48Å; G239-L243 PolarHBondContact O-N 3.48Å; K240-L243 PolarHBondContact O-N 3.15Å; E241-L243 PolarHBondContact O-N 2.78Å; L243-H245 VanDerWaalsContact C-N 3.33Å; L243-H245 PolarHBondContact O-N 3.33Å; L243-M246 PolarHBondContact O-N 3.12Å; L243-F247 HydrophobicContact CD2-CD2 4.44Å; L243-F247 HydrophobicContact CD2-CE2 4.14Å; L243-F247 PolarHBondContact O-N 3.01Å; L243-L253 HydrophobicContact CB-CD2 4.06Å; L243-L253 HydrophobicContact CD1-CD2 4.07Å; L243-I310 HydrophobicContact CD2-CG2 3.96Å
244T97.5Very high96Very high16 Ų1661.7 Ų61.710%0.09834%0.341CS..Hα-helixtrans-55.9-48.9175.9-57.90000110.7K240 E241 N248 I249 L253K240-T244 WeakPolarHBondContact O-CB 3.45Å; K240-T244 PolarHBondContact O-N 2.99Å; K240-T244 PolarHBondContact O-OG1 3.33Å; E241-T244 WeakPolarHBondContact O-CB 3.42Å; E241-T244 PolarHBondContact O-N 3.2Å; T244-N248 WeakPolarHBondContact O-CA 3.46Å; T244-N248 PolarHBondContact O-N 3.5Å; T244-N248 VanDerWaalsContact O-N 3.11Å; T244-I249 HydrophobicContact CG2-CB 4.14Å; T244-I249 PolarHBondContact O-N 3.05Å; T244-L253 VanDerWaalsContact OG1-CB 3.32Å; T244-L253 WeakPolarHBondContact OG1-CB 3.37Å; T244-L253 PolarHBondContact OG1-N 2.86Å
245H97.3Very high95.7Very high133 Ų13365.5 Ų65.562%0.61636%0.361SS*.Hα-helixtrans-69.3-43.4178-72.2-56.9000112.8E241 L242 L243 F247 N248E241-H245 PolarHBondContact O-CD2 2.88Å; E241-H245 PolarHBondContact O-N 3.03Å; E241-H245 IonicContact OE1-NE2 2.79Å; L242-H245 PolarHBondContact O-N 3.38Å; L243-H245 VanDerWaalsContact C-N 3.33Å; L243-H245 PolarHBondContact O-N 3.33Å; H245-F247 PolarHBondContact O-N 2.87Å; H245-N248 PolarHBondContact O-N 3.35Å; H245-N248 VanDerWaalsContact O-N 3.12Å
246M96.8Very high95.7Very high31 Ų3160.1 Ų60.115%0.15334%0.337CS..Hα-helixtrans-63.5-41.5-175.1-169.6-178-66.200112.4L242 L243 V307 I310 S311 A314L242-M246 HydrophobicContact CD1-CE 4.02Å; L242-M246 HydrophobicContact CD2-CE 4.39Å; L242-M246 HydrophobicContact CG-CE 4.01Å; L242-M246 WeakPolarHBondContact O-CB 3.5Å; L242-M246 PolarHBondContact O-N 3.16Å; L243-M246 PolarHBondContact O-N 3.12Å; M246-V307 HydrophobicContact CE-CG1 3.76Å; M246-I310 HydrophobicContact SD-CB 3.87Å; M246-I310 HydrophobicContact SD-CG2 3.51Å; M246-I310 VanDerWaalsContact SD-CG2 3.51Å; M246-S311 WeakPolarHBondContact SD-CA 3.41Å; M246-S311 PolarHBondContact SD-N 2.94Å; M246-A314 HydrophobicContact CG-CB 3.73Å; M246-A314 VanDerWaalsContact O-CB 3.32Å; M246-A314 WeakPolarHBondContact O-CB 3.31Å; M246-A314 HydrophobicContact SD-CB 4.46Å
247F97.1Very high95.4Very high1 Ų159 Ų590%0.00433%0.325CS..THydrogen-bonded Turntrans-91.24.4175.6-74.5-91.7000113.4I230 L243 H245 I249 I259 L263 I310 L313 A314 V317 L330I230-F247 HydrophobicContact CD1-CZ 4.48Å; L243-F247 HydrophobicContact CD2-CD2 4.44Å; L243-F247 HydrophobicContact CD2-CE2 4.14Å; L243-F247 PolarHBondContact O-N 3.01Å; H245-F247 PolarHBondContact O-N 2.87Å; F247-I249 VanDerWaalsContact C-N 3.33Å; F247-I249 HydrophobicContact CB-CD1 4.2Å; F247-I249 HydrophobicContact CB-CG1 3.79Å; F247-I249 PolarHBondContact O-N 3.08Å; F247-I259 HydrophobicContact CB-CD1 4.1Å; F247-I259 HydrophobicContact CD1-CD1 4.17Å; F247-I259 HydrophobicContact CD2-CD1 3.4Å; F247-I259 VanDerWaalsContact CD2-CD1 3.4Å; F247-I259 HydrophobicContact CE1-CD1 4.44Å; F247-I259 HydrophobicContact CE2-CD1 3.72Å; F247-I259 HydrophobicContact CG-CD1 3.64Å; F247-I259 HydrophobicContact CZ-CD1 4.24Å; F247-L263 HydrophobicContact CD1-CD2 4.36Å; F247-L263 HydrophobicContact CE1-CD1 3.96Å; F247-L263 HydrophobicContact CE1-CD2 3.84Å; F247-L263 HydrophobicContact CE1-CG 4.48Å; F247-L263 HydrophobicContact CZ-CD1 3.97Å; F247-I310 HydrophobicContact CE2-CG2 3.61Å; F247-I310 HydrophobicContact CZ-CG2 4.03Å; F247-L313 HydrophobicContact CE1-CG 4.44Å; F247-L313 HydrophobicContact CZ-CD2 4.3Å; F247-L313 HydrophobicContact CZ-CG 4.31Å; F247-A314 HydrophobicContact CD1-CB 3.7Å; F247-A314 HydrophobicContact CD2-CB 3.97Å; F247-A314 VanDerWaalsContact CE1-CA 3.48Å; F247-A314 HydrophobicContact CE1-CB 3.71Å; F247-A314 HydrophobicContact CE2-CB 3.99Å; F247-A314 HydrophobicContact CG-CB 3.83Å; F247-A314 HydrophobicContact CZ-CB 3.86Å; F247-V317 HydrophobicContact CE1-CG2 4.45Å; F247-L330 HydrophobicContact CB-CD1 4.32Å; F247-L330 WeakPolarHBondContact O-CD1 3.33Å; F247-L330 VanDerWaalsContact O-CG 3.32Å; F247-L330 WeakPolarHBondContact O-CG 3.12Å
248N96.5Very high95.1Very high75 Ų7555.5 Ų55.540%0.40130%0.303SS..THydrogen-bonded Turntrans49.350.8-178.1-170.734000112.6T244 H245 L318 T328 C329 L330T244-N248 WeakPolarHBondContact O-CA 3.46Å; T244-N248 PolarHBondContact O-N 3.5Å; T244-N248 VanDerWaalsContact O-N 3.11Å; H245-N248 PolarHBondContact O-N 3.35Å; H245-N248 VanDerWaalsContact O-N 3.12Å; N248-L318 HydrophobicContact CB-CD1 4.29Å; N248-L318 HydrophobicContact CB-CD2 4.12Å; N248-T328 PolarHBondContact ND2-O 3.34Å; N248-C329 CarbonylContact O-C 3.58Å; N248-C329 WeakPolarHBondContact O-CA 3.17Å; N248-C329 WeakPolarHBondContact O-CB 3.46Å; N248-L330 PolarHBondContact O-N 2.94Å
249I95.6Very high94.9Very high13 Ų1349.9 Ų49.97%0.06727%0.272CS..BIsolated β-bridgetrans-76.6136.8-176.1-52.2175.4000109.8T244 F247 T251 L253 I259 L330 I332T244-I249 HydrophobicContact CG2-CB 4.14Å; T244-I249 PolarHBondContact O-N 3.05Å; F247-I249 VanDerWaalsContact C-N 3.33Å; F247-I249 HydrophobicContact CB-CD1 4.2Å; F247-I249 HydrophobicContact CB-CG1 3.79Å; F247-I249 PolarHBondContact O-N 3.08Å; I249-T251 VanDerWaalsContact C-N 3.31Å; I249-T251 VanDerWaalsContact CG2-O 3.31Å; I249-T251 WeakPolarHBondContact CG2-O 3.06Å; I249-T251 PolarHBondContact O-N 2.98Å; I249-L253 HydrophobicContact CD1-CD1 4.45Å; I249-I259 HydrophobicContact CD1-CD1 3.86Å; I249-I259 HydrophobicContact CD1-CG1 4.49Å; I249-L330 WeakPolarHBondContact CA-O 3.18Å; I249-I332 HydrophobicContact CD1-CD1 4.09Å; I249-I332 HydrophobicContact CG2-CD1 3.71Å; I249-I332 HydrophobicContact CG2-CG1 3.71Å; I249-I332 HydrophobicContact CG2-CG2 4.19Å
250C94.5Very high94.7Very high56 Ų5649.7 Ų49.738%0.37827%0.27SS..SBendtrans-63.9-33.9-175.1-61.80000113.8C329 L330C250-C329 WeakPolarHBondContact CA-SG 3.46Å; C250-C329 HydrophobicContact CB-CB 3.96Å; C250-C329 WeakPolarHBondContact CB-SG 3.48Å; C250-C329 WeakPolarHBondContact SG-CB 3.32Å; C250-C329 CovalentContact SG-SG 2.03Å; C250-C329 PolarHBondContact SG-SG 3.33Å; C250-L330 PolarHBondContact N-O 2.67Å
251T93.1Very high94.3Very high76 Ų7648 Ų4847%0.46626%0.264SS..SBendtrans-122.7142.1-179.455.70000110.5I249 L253I249-T251 VanDerWaalsContact C-N 3.31Å; I249-T251 VanDerWaalsContact CG2-O 3.31Å; I249-T251 WeakPolarHBondContact CG2-O 3.06Å; I249-T251 PolarHBondContact O-N 2.98Å; T251-L253 PolarHBondContact O-N 3.4Å
252P94.5Very high94Very high103 Ų10343.2 Ų43.267%0.66924%0.241SC*.  trans-52130177.5-27.535.1000112.7T254P252-T254 PolarHBondContact O-N 3.05Å
253L93.9Very high93.9Very high12 Ų1240.2 Ų40.26%0.06323%0.225CC..  trans-67.1112.5-178.7-171.369.7000110.6K240 L243 T244 I249 T251 D255 N258 I259 I332K240-L253 HydrophobicContact CB-CB 4.39Å; L243-L253 HydrophobicContact CB-CD2 4.06Å; L243-L253 HydrophobicContact CD1-CD2 4.07Å; T244-L253 VanDerWaalsContact OG1-CB 3.32Å; T244-L253 WeakPolarHBondContact OG1-CB 3.37Å; T244-L253 PolarHBondContact OG1-N 2.86Å; I249-L253 HydrophobicContact CD1-CD1 4.45Å; T251-L253 PolarHBondContact O-N 3.4Å; L253-D255 WeakPolarHBondContact CD1-O 3.19Å; L253-N258 HydrophobicContact CD1-CB 4.39Å; L253-I259 HydrophobicContact CD1-CB 4.12Å; L253-I259 HydrophobicContact CD1-CG2 4.17Å; L253-I259 HydrophobicContact CD2-CB 4.5Å; L253-I259 HydrophobicContact CD2-CG2 3.87Å; L253-I332 HydrophobicContact CD1-CD1 3.62Å
254T92.3Very high93.6Very high111 Ų11140.3 Ų40.368%0.68123%0.226SC*.SBendtrans-90.1-37.9175.852.60000112.1K240 P252K240-T254 PolarHBondContact NZ-O 2.55Å; P252-T254 PolarHBondContact O-N 3.05Å
255D91.2Very high93.2Very high82 Ų8239.7 Ų39.744%0.43922%0.222SC..  trans-126.1125.9-179.8-171.9-6.2000110L253 Q257 N258L253-D255 WeakPolarHBondContact CD1-O 3.19Å; D255-Q257 PolarHBondContact O-N 2.93Å; D255-Q257 WeakPolarHBondContact OD1-CB 3.49Å; D255-Q257 PolarHBondContact OD1-N 3.1Å; D255-N258 PolarHBondContact O-N 3.41Å
256V92.7Very high92.9Very high16 Ų1633.4 Ų33.410%0.09719%0.193CC..Hα-helixtrans-63.3-26.2179.1-175.50000111.2I230 G234 K240 N258 I259 I260I230-V256 HydrophobicContact CG2-CG1 3.74Å; G234-V256 VanDerWaalsContact CA-CG2 3.46Å; G234-V256 WeakPolarHBondContact O-CG2 3.43Å; K240-V256 HydrophobicContact CG-CG2 4.26Å; V256-N258 PolarHBondContact O-N 3.17Å; V256-I259 HydrophobicContact CG1-CG2 4.42Å; V256-I259 WeakPolarHBondContact O-CG2 3.31Å; V256-I259 PolarHBondContact O-N 3.12Å; V256-I260 HydrophobicContact CG1-CD1 4.11Å; V256-I260 PolarHBondContact O-N 3.02Å
257Q90.1Very high92.8Very high34 Ų3432.1 Ų32.116%0.15919%0.187CC..Hα-helixtrans-61.6-33.1177.9-166.657.447.900111.9D255 I259 I260 D261D255-Q257 PolarHBondContact O-N 2.93Å; D255-Q257 WeakPolarHBondContact OD1-CB 3.49Å; D255-Q257 PolarHBondContact OD1-N 3.1Å; Q257-I259 VanDerWaalsContact C-N 3.34Å; Q257-I259 PolarHBondContact O-N 2.92Å; Q257-I260 PolarHBondContact O-N 3.39Å; Q257-I260 VanDerWaalsContact O-N 3.13Å; Q257-D261 PolarHBondContact NE2-OD1 3.28Å; Q257-D261 WeakPolarHBondContact O-CB 3.26Å; Q257-D261 PolarHBondContact O-N 2.93Å
258N89.6Confident92.6Very high46 Ų4632.1 Ų32.125%0.24619%0.187CC..Hα-helixtrans-64.1-36.9-177.7-60.1156000113.1L253 D255 V256 Y262 I332L253-N258 HydrophobicContact CD1-CB 4.39Å; D255-N258 PolarHBondContact O-N 3.41Å; V256-N258 PolarHBondContact O-N 3.17Å; N258-Y262 WeakPolarHBondContact O-CB 3.38Å; N258-Y262 PolarHBondContact O-N 2.99Å; N258-Y262 VanDerWaalsContact O-N 3.12Å; N258-I332 HydrophobicContact CB-CD1 4.01Å
259I93.1Very high92.3Very high2 Ų228.5 Ų28.51%0.0117%0.168CC..Hα-helixtrans-75.4-35175.2-171.9174.2000111.4I230 F247 I249 L253 V256 Q257 D261 Y262 L263 I332I230-I259 HydrophobicContact CG2-CG2 3.98Å; F247-I259 HydrophobicContact CB-CD1 4.1Å; F247-I259 HydrophobicContact CD1-CD1 4.17Å; F247-I259 HydrophobicContact CD2-CD1 3.4Å; F247-I259 VanDerWaalsContact CD2-CD1 3.4Å; F247-I259 HydrophobicContact CE1-CD1 4.44Å; F247-I259 HydrophobicContact CE2-CD1 3.72Å; F247-I259 HydrophobicContact CG-CD1 3.64Å; F247-I259 HydrophobicContact CZ-CD1 4.24Å; I249-I259 HydrophobicContact CD1-CD1 3.86Å; I249-I259 HydrophobicContact CD1-CG1 4.49Å; L253-I259 HydrophobicContact CD1-CB 4.12Å; L253-I259 HydrophobicContact CD1-CG2 4.17Å; L253-I259 HydrophobicContact CD2-CB 4.5Å; L253-I259 HydrophobicContact CD2-CG2 3.87Å; V256-I259 HydrophobicContact CG1-CG2 4.42Å; V256-I259 WeakPolarHBondContact O-CG2 3.31Å; V256-I259 PolarHBondContact O-N 3.12Å; Q257-I259 VanDerWaalsContact C-N 3.34Å; Q257-I259 PolarHBondContact O-N 2.92Å; I259-D261 VanDerWaalsContact C-N 3.35Å; I259-Y262 PolarHBondContact O-N 3.45Å; I259-L263 HydrophobicContact CD1-CD1 4.46Å; I259-L263 HydrophobicContact CG1-CD1 3.97Å; I259-L263 HydrophobicContact CG1-CG 4.15Å; I259-L263 WeakPolarHBondContact O-CB 3.27Å; I259-L263 WeakPolarHBondContact O-CG 3.46Å; I259-L263 PolarHBondContact O-N 2.96Å; I259-I332 HydrophobicContact CB-CD1 4.38Å
260I93Very high92.3Very high1 Ų127.9 Ų27.91%0.00516%0.164CC..Hα-helixtrans-62.8-44.4175.3-67.5172.1000110.3W227 I230 V231 V256 Q257 L263 S264 P366W227-I260 HydrophobicContact CE3-CG1 4.5Å; W227-I260 HydrophobicContact CE3-CG2 4.11Å; W227-I260 HydrophobicContact CZ3-CG2 4.24Å; I230-I260 HydrophobicContact CG2-CD1 4.45Å; I230-I260 HydrophobicContact CG2-CG1 4.05Å; V231-I260 HydrophobicContact CG2-CD1 3.61Å; V256-I260 HydrophobicContact CG1-CD1 4.11Å; V256-I260 PolarHBondContact O-N 3.02Å; Q257-I260 PolarHBondContact O-N 3.39Å; Q257-I260 VanDerWaalsContact O-N 3.13Å; I260-L263 PolarHBondContact O-N 2.93Å; I260-S264 WeakPolarHBondContact O-CB 3.45Å; I260-S264 PolarHBondContact O-N 3.18Å; I260-S264 PolarHBondContact O-OG 3.44Å; I260-P366 HydrophobicContact CG2-CB 4.24Å; I260-P366 HydrophobicContact CG2-CG 4.11Å
261D88.6Confident92.3Very high22 Ų2225.2 Ų25.212%0.11815%0.146CC..Hα-helixtrans-61.1-51.8177.1-65.6-17.9000110.5L10 Q257 I259 L263 S264 D265L10-D261 WeakPolarHBondContact CD2-OD1 3.33Å; Q257-D261 PolarHBondContact NE2-OD1 3.28Å; Q257-D261 WeakPolarHBondContact O-CB 3.26Å; Q257-D261 PolarHBondContact O-N 2.93Å; I259-D261 VanDerWaalsContact C-N 3.35Å; D261-L263 PolarHBondContact O-N 3.36Å; D261-S264 WeakPolarHBondContact O-CB 3.32Å; D261-S264 PolarHBondContact O-N 2.92Å; D261-S264 VanDerWaalsContact O-N 3.13Å; D261-D265 PolarHBondContact O-N 3.29Å
262Y91.7Very high92.4Very high10 Ų1021.7 Ų21.74%0.03912%0.124CC..Hα-helixtrans-55.7-47.2177.8177.2-89.8000112.6H21 F22 N258 I259 S264 D265 F266 V317 T321 L330 I332H21-Y262 HydrophobicContact CB-CD2 4.06Å; H21-Y262 HydrophobicContact CB-CE2 4.19Å; H21-Y262 AromaticContact CD2-CD2 3.69Å; H21-Y262 AromaticContact CG-CD2 3.87Å; F22-Y262 HydrophobicContact CE1-CE2 4.08Å; F22-Y262 HydrophobicContact CE2-CE2 4.35Å; F22-Y262 HydrophobicContact CZ-CD2 4.37Å; F22-Y262 AromaticContact CZ-CE2 3.61Å; F22-Y262 HydrophobicContact CZ-CE2 3.61Å; F22-Y262 AromaticContact CZ-CZ 3.69Å; N258-Y262 WeakPolarHBondContact O-CB 3.38Å; N258-Y262 PolarHBondContact O-N 2.99Å; N258-Y262 VanDerWaalsContact O-N 3.12Å; I259-Y262 PolarHBondContact O-N 3.45Å; Y262-S264 VanDerWaalsContact C-N 3.33Å; Y262-S264 PolarHBondContact O-N 2.93Å; Y262-D265 PolarHBondContact O-N 3.11Å; Y262-F266 VanDerWaalsContact O-CB 3.27Å; Y262-F266 WeakPolarHBondContact O-CB 3.45Å; Y262-F266 PolarHBondContact O-N 2.65Å; Y262-V317 HydrophobicContact CE1-CG1 4.44Å; Y262-T321 WeakPolarHBondContact OH-CG2 3.39Å; Y262-L330 HydrophobicContact CE1-CD1 4.05Å; Y262-I332 HydrophobicContact CD1-CG2 4.02Å; Y262-I332 HydrophobicContact CD2-CB 4.1Å; Y262-I332 HydrophobicContact CD2-CG2 3.75Å; Y262-I332 HydrophobicContact CE2-CG2 4.26Å; Y262-I332 HydrophobicContact CG-CB 4.14Å; Y262-I332 HydrophobicContact CG-CG2 3.61Å
263L94.4Very high92.4Very high4 Ų417.2 Ų17.22%0.02110%0.095CC..Hα-helixtrans-66.7-36.6179.9-69.9176.5000111.7W227 I230 F247 I259 I260 D261 F266 L267 L313 V317W227-L263 HydrophobicContact CH2-CB 3.89Å; W227-L263 HydrophobicContact CZ3-CB 3.84Å; W227-L263 HydrophobicContact CZ3-CD1 4.36Å; I230-L263 HydrophobicContact CD1-CD1 3.68Å; F247-L263 HydrophobicContact CD1-CD2 4.36Å; F247-L263 HydrophobicContact CE1-CD1 3.96Å; F247-L263 HydrophobicContact CE1-CD2 3.84Å; F247-L263 HydrophobicContact CE1-CG 4.48Å; F247-L263 HydrophobicContact CZ-CD1 3.97Å; I259-L263 HydrophobicContact CD1-CD1 4.46Å; I259-L263 HydrophobicContact CG1-CD1 3.97Å; I259-L263 HydrophobicContact CG1-CG 4.15Å; I259-L263 WeakPolarHBondContact O-CB 3.27Å; I259-L263 WeakPolarHBondContact O-CG 3.46Å; I259-L263 PolarHBondContact O-N 2.96Å; I260-L263 PolarHBondContact O-N 2.93Å; D261-L263 PolarHBondContact O-N 3.36Å; L263-F266 PolarHBondContact O-N 2.77Å; L263-L267 VanDerWaalsContact O-CG 3.24Å; L263-L267 WeakPolarHBondContact O-CG 3.47Å; L263-L267 PolarHBondContact O-N 2.92Å; L263-L313 HydrophobicContact CD1-CD2 4.44Å; L263-V317 HydrophobicContact CD2-CB 4.43Å; L263-V317 HydrophobicContact CD2-CG1 4.07Å; L263-V317 HydrophobicContact CD2-CG2 3.69Å
264S92.6Very high92.6Very high2 Ų216.6 Ų16.61%0.0149%0.092CC..Hα-helixtrans-64.7-47.2176.2-58.90000111.2I260 D261 Y262 F266 L267 G268 M365 P366I260-S264 WeakPolarHBondContact O-CB 3.45Å; I260-S264 PolarHBondContact O-N 3.18Å; I260-S264 PolarHBondContact O-OG 3.44Å; D261-S264 WeakPolarHBondContact O-CB 3.32Å; D261-S264 PolarHBondContact O-N 2.92Å; D261-S264 VanDerWaalsContact O-N 3.13Å; Y262-S264 VanDerWaalsContact C-N 3.33Å; Y262-S264 PolarHBondContact O-N 2.93Å; S264-F266 VanDerWaalsContact C-N 3.33Å; S264-F266 PolarHBondContact O-N 3.22Å; S264-L267 PolarHBondContact O-N 2.83Å; S264-G268 PolarHBondContact O-N 3.49Å; S264-M365 WeakPolarHBondContact O-CE 3.4Å; S264-P366 VanDerWaalsContact OG-CD 3.25Å; S264-P366 WeakPolarHBondContact OG-CD 3.37Å; S264-P366 WeakPolarHBondContact OG-CG 3.35Å
265D88.1Confident92.8Very high4 Ų411.4 Ų11.42%0.0216%0.06CC..Hα-helixtrans-62.5-42.6177.1-70.1-27.5000110.8L18 H21 D261 Y262 G268 I269L18-D265 WeakPolarHBondContact CD2-O 3.27Å; H21-D265 IonicContact CE1-OD2 2.82Å; H21-D265 PolarHBondContact CE1-OD2 3.01Å; H21-D265 IonicContact ND1-OD2 2.64Å; H21-D265 PolarHBondContact ND1-OD2 2.85Å; D261-D265 PolarHBondContact O-N 3.29Å; Y262-D265 PolarHBondContact O-N 3.11Å; D265-G268 PolarHBondContact O-N 3.16Å; D265-I269 WeakPolarHBondContact O-CG1 3.5Å; D265-I269 PolarHBondContact O-N 3.12Å
266F92.2Very high93.1Very high0 Ų08 Ų80%04%0.042CC..Hα-helixtrans-60.2-47.2176.5-179.6-110.9000112.9F22 Y262 L263 S264 G268 I269 I270 L283 L293 V317 L320 T321F22-F266 HydrophobicContact CE1-CD2 4.41Å; F22-F266 HydrophobicContact CE2-CB 4.34Å; F22-F266 HydrophobicContact CZ-CB 4.13Å; F22-F266 AromaticContact CZ-CD2 3.85Å; F22-F266 HydrophobicContact CZ-CD2 3.85Å; F22-F266 HydrophobicContact CZ-CG 4.46Å; Y262-F266 VanDerWaalsContact O-CB 3.27Å; Y262-F266 WeakPolarHBondContact O-CB 3.45Å; Y262-F266 PolarHBondContact O-N 2.65Å; L263-F266 PolarHBondContact O-N 2.77Å; S264-F266 VanDerWaalsContact C-N 3.33Å; S264-F266 PolarHBondContact O-N 3.22Å; F266-G268 VanDerWaalsContact C-N 3.3Å; F266-G268 PolarHBondContact O-N 3.34Å; F266-I269 PolarHBondContact O-N 3.3Å; F266-I270 HydrophobicContact CD2-CG2 4.28Å; F266-I270 HydrophobicContact CE1-CD1 4.42Å; F266-I270 HydrophobicContact CE1-CG2 4.4Å; F266-I270 HydrophobicContact CE2-CG2 3.79Å; F266-I270 HydrophobicContact CZ-CG2 3.85Å; F266-I270 PolarHBondContact O-N 3.03Å; F266-L283 HydrophobicContact CD2-CD1 4.38Å; F266-L283 HydrophobicContact CE2-CD1 4.18Å; F266-L293 HydrophobicContact CD1-CD1 4.45Å; F266-L293 HydrophobicContact CE1-CD1 3.66Å; F266-L293 HydrophobicContact CZ-CD1 4.49Å; F266-V317 HydrophobicContact CD1-CG1 4.18Å; F266-V317 HydrophobicContact CD1-CG2 4.23Å; F266-V317 HydrophobicContact CE1-CB 4.32Å; F266-V317 HydrophobicContact CE1-CG1 4.06Å; F266-V317 HydrophobicContact CE1-CG2 4.11Å; F266-L320 HydrophobicContact CZ-CB 3.78Å; F266-L320 HydrophobicContact CZ-CD1 4.08Å; F266-T321 HydrophobicContact CD2-CG2 4.06Å; F266-T321 HydrophobicContact CE2-CG2 3.6Å; F266-T321 HydrophobicContact CZ-CG2 3.92Å
267L94.7Very high93.3Very high5 Ų58 Ų83%0.0264%0.041CC..Hα-helixtrans-62.1-39.2176.3-68.8172.8000111.7F211 I223 W227 L263 S264 S271 L293 M365F211-L267 HydrophobicContact CE1-CD2 3.74Å; F211-L267 HydrophobicContact CZ-CB 4.35Å; F211-L267 HydrophobicContact CZ-CD2 3.5Å; F211-L267 VanDerWaalsContact CZ-CD2 3.5Å; I223-L267 HydrophobicContact CD1-CD2 4.2Å; I223-L267 HydrophobicContact CG2-CD1 3.73Å; W227-L267 HydrophobicContact CH2-CD1 3.8Å; W227-L267 HydrophobicContact CZ2-CD1 3.61Å; L263-L267 VanDerWaalsContact O-CG 3.24Å; L263-L267 WeakPolarHBondContact O-CG 3.47Å; L263-L267 PolarHBondContact O-N 2.92Å; S264-L267 PolarHBondContact O-N 2.83Å; L267-S271 WeakPolarHBondContact O-CB 3.25Å; L267-S271 PolarHBondContact O-N 3.45Å; L267-S271 VanDerWaalsContact O-N 3.16Å; L267-L293 HydrophobicContact CD2-CD1 4.27Å; L267-M365 HydrophobicContact CB-SD 4.3Å
268G92.7Very high93.5Very high0 Ų010 Ų100%06%0.056CC..Hα-helixtrans-59.8-47.6173.700000112.6S264 D265 F266 S271 M272S264-G268 PolarHBondContact O-N 3.49Å; D265-G268 PolarHBondContact O-N 3.16Å; F266-G268 VanDerWaalsContact C-N 3.3Å; F266-G268 PolarHBondContact O-N 3.34Å; G268-S271 PolarHBondContact O-N 3.47Å; G268-M272 WeakPolarHBondContact O-CB 3.22Å; G268-M272 PolarHBondContact O-N 2.95Å
269I90.8Very high93.7Very high0 Ų08.4 Ų8.40%05%0.05CC..Hα-helixtrans-63.2-52.9180-70.2165.9000111L18 F22 D265 F266 S271 M272 V273 I282L18-I269 HydrophobicContact CB-CD1 4.33Å; L18-I269 HydrophobicContact CB-CG1 3.98Å; L18-I269 HydrophobicContact CD2-CG1 3.84Å; L18-I269 HydrophobicContact CG-CG1 4.4Å; L18-I269 WeakPolarHBondContact O-CD1 3.43Å; F22-I269 HydrophobicContact CB-CD1 3.96Å; F22-I269 HydrophobicContact CD2-CD1 2.97Å; F22-I269 HydrophobicContact CD2-CG1 4.46Å; F22-I269 HydrophobicContact CE2-CD1 3.49Å; F22-I269 VanDerWaalsContact CE2-CD1 3.49Å; F22-I269 HydrophobicContact CG-CD1 3.64Å; D265-I269 WeakPolarHBondContact O-CG1 3.5Å; D265-I269 PolarHBondContact O-N 3.12Å; F266-I269 PolarHBondContact O-N 3.3Å; I269-S271 PolarHBondContact O-N 2.87Å; I269-M272 WeakPolarHBondContact O-CA 3.48Å; I269-M272 WeakPolarHBondContact O-CB 3.13Å; I269-M272 PolarHBondContact O-N 3.14Å; I269-V273 HydrophobicContact CG2-CG2 4.08Å; I269-V273 VanDerWaalsContact O-CG2 3.26Å; I269-V273 WeakPolarHBondContact O-CG2 3.22Å; I269-V273 PolarHBondContact O-N 3.21Å; I269-I282 HydrophobicContact CD1-CG2 4.29Å; I269-I282 HydrophobicContact CG2-CG2 4.4Å
270I94.8Very high93.4Very high0 Ų09.9 Ų9.90%06%0.06CC..Hα-helixtrans-65.7-26.7-175.868.2166.9000112.1F211 F266 N274 L285 P289 V290 L293 L320F211-I270 HydrophobicContact CE1-CD1 4.31Å; F211-I270 HydrophobicContact CE2-CG1 4.48Å; F211-I270 HydrophobicContact CZ-CD1 3.73Å; F211-I270 HydrophobicContact CZ-CG1 3.95Å; F266-I270 HydrophobicContact CD2-CG2 4.28Å; F266-I270 HydrophobicContact CE1-CD1 4.42Å; F266-I270 HydrophobicContact CE1-CG2 4.4Å; F266-I270 HydrophobicContact CE2-CG2 3.79Å; F266-I270 HydrophobicContact CZ-CG2 3.85Å; F266-I270 PolarHBondContact O-N 3.03Å; I270-N274 WeakPolarHBondContact O-CA 3.46Å; I270-N274 WeakPolarHBondContact O-CB 2.93Å; I270-N274 PolarHBondContact O-N 2.66Å; I270-L285 HydrophobicContact CG2-CD1 4.13Å; I270-L285 HydrophobicContact CG2-CD2 4.38Å; I270-P289 HydrophobicContact CB-CB 4.25Å; I270-P289 HydrophobicContact CB-CG 4.45Å; I270-V290 HydrophobicContact CD1-CG2 4.45Å; I270-V290 HydrophobicContact CG1-CG2 4.31Å; I270-L293 HydrophobicContact CD1-CB 4.1Å; I270-L293 HydrophobicContact CD1-CD1 3.44Å; I270-L293 VanDerWaalsContact CD1-CD1 3.44Å; I270-L293 HydrophobicContact CD1-CG 4.34Å; I270-L320 HydrophobicContact CD1-CD1 4.33Å
271S95.1Very high92.7Very high0 Ų010.2 Ų10.20%06%0.062CC..Hα-helixtrans-69-44.6170-168.90000111.6L267 G268 I269 N274L267-S271 WeakPolarHBondContact O-CB 3.25Å; L267-S271 PolarHBondContact O-N 3.45Å; L267-S271 VanDerWaalsContact O-N 3.16Å; G268-S271 PolarHBondContact O-N 3.47Å; I269-S271 PolarHBondContact O-N 2.87Å; S271-N274 WeakPolarHBondContact O-CB 3.49Å
272M94.7Very high92.2Very high1 Ų19.6 Ų9.61%0.0056%0.059CC..Hα-helixtrans-63.8-40.5179.9-175178.970.300112.1F15 L18 G268 I269 I282 P416 W417 A440 H441F15-M272 HydrophobicContact CD2-SD 4.32Å; F15-M272 HydrophobicContact CE2-CE 4.1Å; F15-M272 HydrophobicContact CE2-SD 3.61Å; F15-M272 HydrophobicContact CZ-CE 4.43Å; F15-M272 HydrophobicContact CZ-SD 4.45Å; L18-M272 HydrophobicContact CD1-CE 4.35Å; L18-M272 HydrophobicContact CD1-SD 4.1Å; G268-M272 WeakPolarHBondContact O-CB 3.22Å; G268-M272 PolarHBondContact O-N 2.95Å; I269-M272 WeakPolarHBondContact O-CA 3.48Å; I269-M272 WeakPolarHBondContact O-CB 3.13Å; I269-M272 PolarHBondContact O-N 3.14Å; M272-I282 HydrophobicContact CE-CD1 3.45Å; M272-I282 VanDerWaalsContact CE-CD1 3.45Å; M272-P416 HydrophobicContact CB-CG 4.41Å; M272-W417 PolarHBondContact SD-NE1 3.33Å; M272-A440 VanDerWaalsContact O-CB 3.3Å; M272-A440 WeakPolarHBondContact O-CB 3.25Å; M272-H441 HydrophobicContact CG-CB 3.49Å; M272-H441 VanDerWaalsContact CG-CB 3.49Å; M272-H441 WeakPolarHBondContact O-CB 3.34Å; M272-H441 PolarHBondContact O-N 3.01Å
273V94.5Very high91.7Very high9 Ų910.8 Ų10.86%0.0557%0.065CC..THydrogen-bonded Turntrans-105.635.4179.6-60.10000112.9I269 Y275 L281 L285I269-V273 HydrophobicContact CG2-CG2 4.08Å; I269-V273 VanDerWaalsContact O-CG2 3.26Å; I269-V273 WeakPolarHBondContact O-CG2 3.22Å; I269-V273 PolarHBondContact O-N 3.21Å; V273-Y275 HydrophobicContact CB-CD2 4.01Å; V273-Y275 HydrophobicContact CB-CE2 3.66Å; V273-Y275 HydrophobicContact CG1-CE2 3.86Å; V273-Y275 PolarHBondContact O-N 2.8Å; V273-L281 HydrophobicContact CG1-CD2 4.03Å; V273-L285 HydrophobicContact CG2-CD1 3.46Å; V273-L285 VanDerWaalsContact CG2-CD1 3.46Å
274N97Very high91.4Very high0 Ų012.4 Ų12.40%08%0.079CC..  trans-73.459.7178.3-165.933.8000112.5Y214 I270 S271 W288 P289 V290 I414 A440Y214-N274 VanDerWaalsContact CD2-ND2 3.28Å; Y214-N274 WeakPolarHBondContact CD2-ND2 3.12Å; I270-N274 WeakPolarHBondContact O-CA 3.46Å; I270-N274 WeakPolarHBondContact O-CB 2.93Å; I270-N274 PolarHBondContact O-N 2.66Å; S271-N274 WeakPolarHBondContact O-CB 3.49Å; N274-W288 VanDerWaalsContact O-CZ3 3.28Å; N274-W288 WeakPolarHBondContact O-CZ3 3.47Å; N274-W288 WeakPolarHBondContact OD1-CA 3.45Å; N274-P289 VanDerWaalsContact OD1-CD 3.27Å; N274-P289 WeakPolarHBondContact OD1-CD 3.16Å; N274-V290 HydrophobicContact CB-CG2 4.01Å; N274-V290 PolarHBondContact OD1-N 2.7Å; N274-I414 HydrophobicContact CB-CD1 4.13Å; N274-A440 HydrophobicContact CB-CB 4.25Å
275Y97.4Very high91.4Very high2 Ų212.5 Ų12.51%0.0088%0.08CC..  trans-81.3154.3-172.9-61.7-48.1000113.2V273 Y277 A279 W288 A440 H441 L443V273-Y275 HydrophobicContact CB-CD2 4.01Å; V273-Y275 HydrophobicContact CB-CE2 3.66Å; V273-Y275 HydrophobicContact CG1-CE2 3.86Å; V273-Y275 PolarHBondContact O-N 2.8Å; Y275-Y277 PolarHBondContact O-N 3.4Å; Y275-A279 HydrophobicContact CD2-CB 3.7Å; Y275-A279 HydrophobicContact CE2-CB 4.39Å; Y275-W288 PolarHBondContact O-N 2.85Å; Y275-A440 HydrophobicContact CD1-CB 3.92Å; Y275-A440 HydrophobicContact CE1-CB 3.95Å; Y275-H441 VanDerWaalsContact CE1-O 3.27Å; Y275-H441 WeakPolarHBondContact CE1-O 3.45Å; Y275-H441 PolarHBondContact OH-O 3.41Å; Y275-L443 HydrophobicContact CD1-CB 4.38Å; Y275-L443 HydrophobicContact CD1-CD1 3.84Å; Y275-L443 HydrophobicContact CD1-CG 4.47Å; Y275-L443 HydrophobicContact CE1-CB 4.23Å; Y275-L443 HydrophobicContact CE1-CD1 4.27Å
276P97.6Very high91.8Very high9 Ų912.7 Ų12.76%0.0588%0.081CC..SBendtrans-77.22.6-176.933.3-39.8000115.1W288 L443 A451P276-W288 HydrophobicContact CB-CH2 4.16Å; P276-W288 HydrophobicContact CB-CZ2 3.5Å; P276-W288 VanDerWaalsContact CB-CZ2 3.5Å; P276-L443 HydrophobicContact CG-CD2 4.26Å; P276-A451 HydrophobicContact CB-CB 4.46Å; P276-A451 WeakPolarHBondContact CB-O 3.36Å; P276-A451 WeakPolarHBondContact CG-O 3.39Å
277Y96.8Very high91.9Very high18 Ų1818 Ų187%0.07111%0.106CC..SBendtrans-146.8160.6-179.648.7-104.5000109.7Y275 A279 L443 R446 N449 A451 D452Y275-Y277 PolarHBondContact O-N 3.4Å; Y277-A279 HydrophobicContact CE2-CB 4.48Å; Y277-A279 PolarHBondContact O-N 3.09Å; Y277-L443 HydrophobicContact CE1-CD1 4.08Å; Y277-L443 VanDerWaalsContact OH-CD1 3.24Å; Y277-L443 WeakPolarHBondContact OH-CD1 3.45Å; Y277-R446 VanDerWaalsContact OH-CB 3.24Å; Y277-R446 WeakPolarHBondContact OH-CB 3.34Å; Y277-R446 VanDerWaalsContact OH-CD 3.29Å; Y277-R446 WeakPolarHBondContact OH-CD 3.13Å; 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 3.54Å; Y277-N449 HydrophobicContact CG-CB 4.45Å; Y277-A451 HydrophobicContact CD1-CB 4.3Å; Y277-D452 WeakPolarHBondContact CE1-OD1 3.29Å
278P94.7Very high92.1Very high74 Ų7420.2 Ų20.248%0.48111%0.114SC..  trans-57.8133.2175.9-24.735000112.2L285P278-L285 WeakPolarHBondContact CA-O 3.33Å
279A92.6Very high92.3Very high14 Ų1420.3 Ų20.312%0.11611%0.114CC..EExtended strand (participates in β ladder)trans-144.1158.5-174.500000111.9Y275 Y277 A284 L285Y275-A279 HydrophobicContact CD2-CB 3.7Å; Y275-A279 HydrophobicContact CE2-CB 4.39Å; Y277-A279 HydrophobicContact CE2-CB 4.48Å; Y277-A279 PolarHBondContact O-N 3.09Å; A279-A284 WeakPolarHBondContact O-CA 3.44Å; A279-L285 PolarHBondContact N-O 3.36Å; A279-L285 VanDerWaalsContact N-O 3.11Å; A279-L285 PolarHBondContact O-N 3.18Å
280S86.5Confident92.6Very high32 Ų3220.3 Ų20.322%0.22411%0.114CC..EExtended strand (participates in β ladder)trans-140.287.8178.5-59.90000110.7S25 L283 A284S25-S280 WeakPolarHBondContact CB-O 2.86Å; S25-S280 PolarHBondContact OG-O 3.03Å; S280-L283 WeakPolarHBondContact CA-O 3.36Å; S280-A284 WeakPolarHBondContact OG-CA 3.01Å; S280-A284 WeakPolarHBondContact OG-CB 2.99Å
281L78.9Confident92.7Very high9 Ų926.3 Ų26.35%0.04714%0.14CC..SBendtrans-102.9-56.7173.9-178.464.6000110.6W24 S25 T83 N87 V273W24-L281 HydrophobicContact CE3-CD1 4.4Å; W24-L281 HydrophobicContact CE3-CG 4.44Å; W24-L281 HydrophobicContact CZ3-CD1 4.03Å; W24-L281 HydrophobicContact CZ3-CD2 4.46Å; W24-L281 HydrophobicContact CZ3-CG 3.95Å; S25-L281 VanDerWaalsContact CB-O 3.25Å; S25-L281 WeakPolarHBondContact CB-O 3.44Å; S25-L281 PolarHBondContact N-O 3.26Å; T83-L281 HydrophobicContact CG2-CD1 4.26Å; N87-L281 HydrophobicContact CB-CD1 3.96Å; V273-L281 HydrophobicContact CG1-CD2 4.03Å
282I78Confident92.8Very high9 Ų930.2 Ų30.25%0.04616%0.156CC..SBendtrans-113.3-45.3176.9-65.9168.6000109.8F22 P23 W24 I269 M272F22-I282 HydrophobicContact CB-CG2 3.25Å; F22-I282 HydrophobicContact CG-CG2 4.32Å; F22-I282 WeakPolarHBondContact O-CG2 3.39Å; P23-I282 VanDerWaalsContact O-O 3.11Å; W24-I282 HydrophobicContact CE3-CG1 3.93Å; W24-I282 HydrophobicContact CZ3-CD1 4.29Å; W24-I282 HydrophobicContact CZ3-CG1 3.79Å; I269-I282 HydrophobicContact CD1-CG2 4.29Å; I269-I282 HydrophobicContact CG2-CG2 4.4Å; M272-I282 HydrophobicContact CE-CD1 3.45Å; M272-I282 VanDerWaalsContact CE-CD1 3.45Å
283L81.2Confident92.9Very high35 Ų3530.2 Ų30.218%0.18316%0.156CC..SBendtrans-125.8149.2172.7-74.2173.8000109.8F22 F266 S280 L285F22-L283 HydrophobicContact CB-CG 4.47Å; F22-L283 HydrophobicContact CD1-CD1 3.62Å; F22-L283 HydrophobicContact CD1-CD2 3.67Å; F22-L283 HydrophobicContact CD1-CG 3.78Å; F22-L283 HydrophobicContact CE1-CD1 3.72Å; F22-L283 HydrophobicContact CE1-CD2 4.26Å; F22-L283 HydrophobicContact CE1-CG 4.36Å; F22-L283 HydrophobicContact CG-CD1 4.27Å; F22-L283 HydrophobicContact CG-CG 4.33Å; F22-L283 HydrophobicContact CZ-CD1 4.44Å; F266-L283 HydrophobicContact CD2-CD1 4.38Å; F266-L283 HydrophobicContact CE2-CD1 4.18Å; S280-L283 WeakPolarHBondContact CA-O 3.36Å; L283-L285 HydrophobicContact CB-CD1 4.14Å; L283-L285 HydrophobicContact CB-CD2 4.22Å; L283-L285 HydrophobicContact CB-CG 3.84Å; L283-L285 PolarHBondContact O-N 2.72Å
284A88.9Confident93.1Very high37 Ų3730 Ų3031%0.30616%0.155SC..EExtended strand (participates in β ladder)trans-73.2108.1164.800000108.8A279 S280 T324A279-A284 WeakPolarHBondContact O-CA 3.44Å; S280-A284 WeakPolarHBondContact OG-CA 3.01Å; S280-A284 WeakPolarHBondContact OG-CB 2.99Å; A284-T324 HydrophobicContact CB-CG2 3.65Å
285L93.2Very high93Very high5 Ų533.9 Ų33.93%0.02618%0.178CC..EExtended strand (participates in β ladder)trans-123150.1-174.9-68.9170.3000110.6I270 V273 P278 A279 L283 P289 L320I270-L285 HydrophobicContact CG2-CD1 4.13Å; I270-L285 HydrophobicContact CG2-CD2 4.38Å; V273-L285 HydrophobicContact CG2-CD1 3.46Å; V273-L285 VanDerWaalsContact CG2-CD1 3.46Å; P278-L285 WeakPolarHBondContact CA-O 3.33Å; A279-L285 PolarHBondContact N-O 3.36Å; A279-L285 VanDerWaalsContact N-O 3.11Å; A279-L285 PolarHBondContact O-N 3.18Å; L283-L285 HydrophobicContact CB-CD1 4.14Å; L283-L285 HydrophobicContact CB-CD2 4.22Å; L283-L285 HydrophobicContact CB-CG 3.84Å; L283-L285 PolarHBondContact O-N 2.72Å; L285-P289 HydrophobicContact CB-CB 4.24Å; L285-P289 HydrophobicContact CB-CG 4.49Å; L285-P289 HydrophobicContact CD1-CB 4.29Å; L285-P289 HydrophobicContact CD1-CG 4.32Å; L285-P289 HydrophobicContact CD2-CB 4.42Å; L285-L320 HydrophobicContact CD2-CD2 4.17Å
286P95.1Very high92.8Very high8 Ų835.3 Ų35.35%0.05219%0.186CC..  trans-67.6174.5171.930.9-35.2000111P289 Y292 L320 Y323P286-P289 WeakPolarHBondContact O-CD 3.4Å; P286-Y292 HydrophobicContact CB-CD2 4.16Å; P286-Y292 HydrophobicContact CG-CD1 4.32Å; P286-Y292 HydrophobicContact CG-CD2 3.75Å; P286-Y292 HydrophobicContact CG-CE2 4.25Å; P286-Y292 HydrophobicContact CG-CG 3.78Å; P286-L320 HydrophobicContact CG-CD2 3.58Å; P286-Y323 HydrophobicContact CB-CD2 4.33Å; P286-Y323 HydrophobicContact CB-CE1 4.35Å; P286-Y323 HydrophobicContact CB-CE2 3.77Å; P286-Y323 HydrophobicContact CG-CD2 4.26Å; P286-Y323 HydrophobicContact CG-CE2 4.2Å
287E95.6Very high92.8Very high110 Ų11035 Ų3551%0.51418%0.184SC..SBendtrans-56.9143.1162.565.4-152.1-143.300111.6
288W97.2Very high92.6Very high53 Ų5337.3 Ų37.320%0.20120%0.203CC..SBendtrans44.859.4178.7-60.1111.3000113.1Y214 N274 Y275 P276 V290 K291 Y292 I414 D438Y214-W288 HydrophobicContact CD1-CE3 4.02Å; Y214-W288 HydrophobicContact CD1-CZ3 4.25Å; Y214-W288 HydrophobicContact CE1-CD2 4.38Å; Y214-W288 AromaticContact CE1-CE3 3.77Å; Y214-W288 HydrophobicContact CE1-CE3 3.77Å; Y214-W288 AromaticContact CE1-CH2 3.94Å; Y214-W288 HydrophobicContact CE1-CH2 3.94Å; Y214-W288 HydrophobicContact CE1-CZ2 4.5Å; Y214-W288 AromaticContact CE1-CZ3 3.54Å; Y214-W288 HydrophobicContact CE1-CZ3 3.54Å; Y214-W288 HydrophobicContact CE2-CZ3 4.27Å; Y214-W288 AromaticContact CZ-CZ3 3.57Å; N274-W288 VanDerWaalsContact O-CZ3 3.28Å; N274-W288 WeakPolarHBondContact O-CZ3 3.47Å; N274-W288 WeakPolarHBondContact OD1-CA 3.45Å; Y275-W288 PolarHBondContact O-N 2.85Å; P276-W288 HydrophobicContact CB-CH2 4.16Å; P276-W288 HydrophobicContact CB-CZ2 3.5Å; P276-W288 VanDerWaalsContact CB-CZ2 3.5Å; W288-V290 PolarHBondContact O-N 2.98Å; W288-V290 VanDerWaalsContact O-N 3.09Å; W288-K291 HydrophobicContact CB-CB 3.87Å; W288-K291 WeakPolarHBondContact O-CA 3.31Å; W288-K291 WeakPolarHBondContact O-CB 3.45Å; W288-K291 PolarHBondContact O-N 3.41Å; W288-Y292 PolarHBondContact O-N 2.99Å; W288-I414 HydrophobicContact CZ3-CD1 3.99Å; W288-D438 HydrophobicContact CH2-CB 4.24Å; W288-D438 WeakPolarHBondContact CH2-O 3.31Å
289P97Very high92.5Very high1 Ų141.2 Ų41.21%0.00622%0.215CC..Hα-helixtrans-57.2-29.7-173.923.7-35.4000113.5I270 N274 L285 P286 Y292 L293 L320I270-P289 HydrophobicContact CB-CB 4.25Å; I270-P289 HydrophobicContact CB-CG 4.45Å; N274-P289 VanDerWaalsContact OD1-CD 3.27Å; N274-P289 WeakPolarHBondContact OD1-CD 3.16Å; L285-P289 HydrophobicContact CB-CB 4.24Å; L285-P289 HydrophobicContact CB-CG 4.49Å; L285-P289 HydrophobicContact CD1-CB 4.29Å; L285-P289 HydrophobicContact CD1-CG 4.32Å; L285-P289 HydrophobicContact CD2-CB 4.42Å; P286-P289 WeakPolarHBondContact O-CD 3.4Å; P289-Y292 PolarHBondContact O-N 3.18Å; P289-L293 WeakPolarHBondContact O-CB 3.43Å; P289-L293 PolarHBondContact O-N 2.88Å; P289-L320 HydrophobicContact CB-CD2 4.37Å; P289-L320 WeakPolarHBondContact O-CD1 3.34Å
290V97.5Very high92.4Very high0 Ų044 Ų440%022%0.223CC..Hα-helixtrans-63.2-47.1172.7174.20000111.1F211 I270 N274 W288 Y292 L293 C294F211-V290 HydrophobicContact CB-CG1 4.33Å; F211-V290 HydrophobicContact CD1-CG1 3.81Å; F211-V290 HydrophobicContact CD2-CG1 3.93Å; F211-V290 HydrophobicContact CD2-CG2 4.31Å; F211-V290 HydrophobicContact CE1-CG1 4.09Å; F211-V290 HydrophobicContact CE2-CG1 4.22Å; F211-V290 HydrophobicContact CE2-CG2 3.98Å; F211-V290 HydrophobicContact CG-CG1 3.75Å; F211-V290 HydrophobicContact CZ-CG1 4.31Å; F211-V290 HydrophobicContact CZ-CG2 4.23Å; I270-V290 HydrophobicContact CD1-CG2 4.45Å; I270-V290 HydrophobicContact CG1-CG2 4.31Å; N274-V290 HydrophobicContact CB-CG2 4.01Å; N274-V290 PolarHBondContact OD1-N 2.7Å; W288-V290 PolarHBondContact O-N 2.98Å; W288-V290 VanDerWaalsContact O-N 3.09Å; V290-Y292 VanDerWaalsContact C-N 3.32Å; V290-Y292 PolarHBondContact O-N 3.42Å; V290-L293 PolarHBondContact O-N 3.42Å; V290-C294 WeakPolarHBondContact O-CB 3.31Å; V290-C294 PolarHBondContact O-N 3.14Å; V290-C294 VanDerWaalsContact O-N 3.09Å; V290-C294 PolarHBondContact O-SG 3.11Å
291K97.6Very high92.7Very high126 Ų12646 Ų4655%0.54823%0.231SC..Hα-helixtrans-61.5-44175.7-176.3178.8178.7-178.20110.7W288 C294 T295W288-K291 HydrophobicContact CB-CB 3.87Å; W288-K291 WeakPolarHBondContact O-CA 3.31Å; W288-K291 WeakPolarHBondContact O-CB 3.45Å; W288-K291 PolarHBondContact O-N 3.41Å; K291-C294 PolarHBondContact O-N 3.38Å; K291-T295 WeakPolarHBondContact O-CG2 3.38Å; K291-T295 PolarHBondContact O-N 3.19Å
292Y96.9Very high93.2Very high83 Ų8348.9 Ų48.933%0.32525%0.25SS..Hα-helixtrans-59.8-49.1178.4-172.4-77.1000111.5P286 W288 P289 V290 C294 T295 L320P286-Y292 HydrophobicContact CB-CD2 4.16Å; P286-Y292 HydrophobicContact CG-CD1 4.32Å; P286-Y292 HydrophobicContact CG-CD2 3.75Å; P286-Y292 HydrophobicContact CG-CE2 4.25Å; P286-Y292 HydrophobicContact CG-CG 3.78Å; W288-Y292 PolarHBondContact O-N 2.99Å; P289-Y292 PolarHBondContact O-N 3.18Å; V290-Y292 VanDerWaalsContact C-N 3.32Å; V290-Y292 PolarHBondContact O-N 3.42Å; Y292-C294 VanDerWaalsContact C-N 3.29Å; Y292-C294 PolarHBondContact O-N 2.92Å; Y292-T295 WeakPolarHBondContact O-CB 3.4Å; Y292-T295 WeakPolarHBondContact O-CG2 3.38Å; Y292-T295 PolarHBondContact O-N 2.97Å; Y292-T295 PolarHBondContact O-OG1 3.47Å; Y292-L320 HydrophobicContact CD1-CD1 4.27Å; Y292-L320 HydrophobicContact CD1-CD2 3.27Å; Y292-L320 HydrophobicContact CD1-CG 3.53Å; Y292-L320 HydrophobicContact CE1-CD2 3.76Å; Y292-L320 HydrophobicContact CE1-CG 3.94Å; Y292-L320 HydrophobicContact CG-CD2 3.88Å; Y292-L320 HydrophobicContact CG-CG 4.5Å
293L97.3Very high93.9Very high0 Ų056.5 Ų56.50%029%0.286CS..Hα-helixtrans-53.8-50.2176.1-171.1145.9000110.6F211 I223 F266 L267 I270 P289 V290 T295 N296 L297 A316 L320F211-L293 HydrophobicContact CE1-CD2 4.44Å; I223-L293 HydrophobicContact CD1-CD2 4.39Å; F266-L293 HydrophobicContact CD1-CD1 4.45Å; F266-L293 HydrophobicContact CE1-CD1 3.66Å; F266-L293 HydrophobicContact CZ-CD1 4.49Å; L267-L293 HydrophobicContact CD2-CD1 4.27Å; I270-L293 HydrophobicContact CD1-CB 4.1Å; I270-L293 HydrophobicContact CD1-CD1 3.44Å; I270-L293 VanDerWaalsContact CD1-CD1 3.44Å; I270-L293 HydrophobicContact CD1-CG 4.34Å; P289-L293 WeakPolarHBondContact O-CB 3.43Å; P289-L293 PolarHBondContact O-N 2.88Å; V290-L293 PolarHBondContact O-N 3.42Å; L293-T295 PolarHBondContact O-N 2.81Å; L293-T295 VanDerWaalsContact O-N 3.15Å; L293-N296 PolarHBondContact O-N 3.1Å; L293-L297 HydrophobicContact CD2-CD1 3.65Å; L293-A316 HydrophobicContact CD2-CB 4.11Å; L293-A316 HydrophobicContact CG-CB 4.03Å; L293-L320 HydrophobicContact CB-CD1 3.53Å; L293-L320 HydrophobicContact CD1-CD1 4.01Å; L293-L320 HydrophobicContact CG-CD1 4.13Å
294C97.7Very high94.4Very high5 Ų557.2 Ų57.23%0.03429%0.288CS..Hα-helixtrans-69.4-10.3-173.7-70.60000114.2G215 C219 V290 K291 Y292 N296 L297 S298G215-C294 VanDerWaalsContact CA-CB 3.44Å; G215-C294 WeakPolarHBondContact CA-SG 3.4Å; C219-C294 HydrophobicContact CB-CB 3.57Å; C219-C294 WeakPolarHBondContact CB-SG 3.44Å; C219-C294 VanDerWaalsContact SG-CA 3.52Å; C219-C294 WeakPolarHBondContact SG-CB 3.33Å; C219-C294 CovalentContact SG-SG 2.03Å; C219-C294 PolarHBondContact SG-SG 3.32Å; V290-C294 WeakPolarHBondContact O-CB 3.31Å; V290-C294 PolarHBondContact O-N 3.14Å; V290-C294 VanDerWaalsContact O-N 3.09Å; V290-C294 PolarHBondContact O-SG 3.11Å; K291-C294 PolarHBondContact O-N 3.38Å; Y292-C294 VanDerWaalsContact C-N 3.29Å; Y292-C294 PolarHBondContact O-N 2.92Å; C294-N296 PolarHBondContact O-N 3.07Å; C294-L297 CarbonylContact O-C 3.53Å; C294-L297 PolarHBondContact O-N 2.68Å; C294-S298 PolarHBondContact O-N 3.14Å; C294-S298 VanDerWaalsContact O-N 3.08Å
295T95.8Very high94.6Very high81 Ų8159.4 Ų59.450%0.49730%0.299SS..G310 helixtrans-59.5-32.7171.762.40000112.7K291 Y292 L293 L297 S298K291-T295 WeakPolarHBondContact O-CG2 3.38Å; K291-T295 PolarHBondContact O-N 3.19Å; Y292-T295 WeakPolarHBondContact O-CB 3.4Å; Y292-T295 WeakPolarHBondContact O-CG2 3.38Å; Y292-T295 PolarHBondContact O-N 2.97Å; Y292-T295 PolarHBondContact O-OG1 3.47Å; L293-T295 PolarHBondContact O-N 2.81Å; L293-T295 VanDerWaalsContact O-N 3.15Å; T295-L297 VanDerWaalsContact C-N 3.32Å; T295-S298 PolarHBondContact O-OG 2.82Å
296N93.9Very high94.7Very high32 Ų3261.6 Ų61.617%0.17131%0.313CS..G310 helixtrans-84.5-6176-73.5-66.9000113.2L293 C294 K315 A316 S319L293-N296 PolarHBondContact O-N 3.1Å; C294-N296 PolarHBondContact O-N 3.07Å; N296-K315 WeakPolarHBondContact OD1-CD 3.05Å; N296-K315 WeakPolarHBondContact OD1-CE 3.14Å; N296-K315 PolarHBondContact OD1-NZ 2.99Å; N296-A316 HydrophobicContact CB-CB 3.75Å; N296-S319 PolarHBondContact ND2-OG 3.41Å
297L96.3Very high94.6Very high2 Ų264.3 Ų64.31%0.0133%0.329CS..G310 helixtrans-123.118.8-176.1-58.4-178.8000112.5N218 C219 N222 I223 L293 C294 T295 E299 L312 L313 A316N218-L297 CarbonylContact C-O 3.52Å; C219-L297 WeakPolarHBondContact CA-O 3.41Å; C219-L297 HydrophobicContact CB-CB 4.22Å; C219-L297 PolarHBondContact N-O 2.91Å; N222-L297 HydrophobicContact CB-CB 4.31Å; N222-L297 HydrophobicContact CB-CD1 4.47Å; N222-L297 HydrophobicContact CB-CD2 4.22Å; N222-L297 PolarHBondContact ND2-O 2.93Å; N222-L297 VanDerWaalsContact ND2-O 3.08Å; I223-L297 HydrophobicContact CD1-CD1 4.32Å; I223-L297 HydrophobicContact CG1-CD1 3.91Å; L293-L297 HydrophobicContact CD2-CD1 3.65Å; C294-L297 CarbonylContact O-C 3.53Å; C294-L297 PolarHBondContact O-N 2.68Å; T295-L297 VanDerWaalsContact C-N 3.32Å; L297-E299 VanDerWaalsContact C-N 3.3Å; L297-E299 PolarHBondContact O-N 3.06Å; L297-L312 HydrophobicContact CD2-CB 3.97Å; L297-L313 HydrophobicContact CD1-CD1 4.07Å; L297-A316 HydrophobicContact CD1-CB 4.26Å; L297-A316 HydrophobicContact CD2-CB 4.44Å; L297-A316 HydrophobicContact CG-CB 4.06Å
298S92.7Very high94.6Very high68 Ų6861.5 Ų61.548%0.47632%0.319SS..SBendtrans-71.2-23.9-174.757.60000113.6N218 C294 T295N218-S298 VanDerWaalsContact CB-O 3.25Å; N218-S298 WeakPolarHBondContact CB-O 3.46Å; N218-S298 PolarHBondContact ND2-O 2.04Å; C294-S298 PolarHBondContact O-N 3.14Å; C294-S298 VanDerWaalsContact O-N 3.08Å; T295-S298 PolarHBondContact O-OG 2.82Å
299E91.9Very high94.4Very high156 Ų15660.4 Ų60.473%0.72932%0.315SS*.  trans-103.2139.4174.8-64.9-174.8-179.400110.3N222 L297N222-E299 PolarHBondContact ND2-O 3.22Å; L297-E299 VanDerWaalsContact C-N 3.3Å; L297-E299 PolarHBondContact O-N 3.06Å
300Y91.5Very high94.3Very high71 Ų7160.4 Ų60.428%0.27832%0.315SS..  trans-125.6117.2173.8172.1-107.3000109.1K221 N222 L225 P302K221-Y300 HydrophobicContact CB-CD2 4.13Å; K221-Y300 HydrophobicContact CB-CE2 4.33Å; K221-Y300 HydrophobicContact CB-CG 4.24Å; K221-Y300 HydrophobicContact CD-CD1 4.18Å; K221-Y300 HydrophobicContact CD-CE1 4.4Å; N222-Y300 WeakPolarHBondContact OD1-CD2 3.32Å; L225-Y300 HydrophobicContact CD1-CE2 3.48Å; L225-Y300 VanDerWaalsContact CD1-CE2 3.48Å; L225-Y300 WeakPolarHBondContact CD1-OH 3.41Å; Y300-P302 HydrophobicContact CE1-CB 4.16Å; Y300-P302 HydrophobicContact CE1-CG 4.2Å
301D93Very high94.2Very high74 Ų7462.5 Ų62.540%0.39633%0.33SS..  trans-121.4109.1172178.510.1000110Q303 Q304 R309D301-Q303 PolarHBondContact O-N 2.69Å; D301-Q303 WeakPolarHBondContact OD1-CB 3.18Å; D301-Q303 PolarHBondContact OD1-N 3.48Å; D301-Q304 HydrophobicContact CB-CB 4.02Å; D301-Q304 WeakPolarHBondContact O-CB 3.14Å; D301-Q304 PolarHBondContact O-N 3.17Å; D301-R309 PolarHBondContact O-NH1 3.43Å
302P88.4Confident94.1Very high71 Ų7158.7 Ų58.746%0.46132%0.315SS..THydrogen-bonded Turntrans-64.2-23177.125.5-32.4000113.1Y300 R309Y300-P302 HydrophobicContact CE1-CB 4.16Å; Y300-P302 HydrophobicContact CE1-CG 4.2Å; P302-R309 PolarHBondContact O-NH1 3.4Å
303Q92.5Very high94.1Very high168 Ų16855 Ų5579%0.78530%0.301SS*.THydrogen-bonded Turntrans-84.3-13.9179.9-57.1-61.7-6.700113.1D301D301-Q303 PolarHBondContact O-N 2.69Å; D301-Q303 WeakPolarHBondContact OD1-CB 3.18Å; D301-Q303 PolarHBondContact OD1-N 3.48Å
304Q91.9Very high94.1Very high50 Ų5055.1 Ų55.123%0.23430%0.302CS..SBendtrans-61.6142.4177.2-163.21783800110.7D301 V306 T308 R309D301-Q304 HydrophobicContact CB-CB 4.02Å; D301-Q304 WeakPolarHBondContact O-CB 3.14Å; D301-Q304 PolarHBondContact O-N 3.17Å; Q304-V306 PolarHBondContact O-N 2.97Å; Q304-T308 HydrophobicContact CG-CG2 3.84Å; Q304-R309 HydrophobicContact CB-CG 4.25Å; Q304-R309 PolarHBondContact O-NH1 3.1Å
305P94.3Very high94Very high83 Ų8360.8 Ų60.854%0.53933%0.326SS..  trans-55.7140.9176.6-26.334.7000112.2V307 T308 R309P305-V307 VanDerWaalsContact C-N 3.25Å; P305-V307 PolarHBondContact O-N 2.82Å; P305-T308 WeakPolarHBondContact O-CA 3.34Å; P305-T308 WeakPolarHBondContact O-CB 3.42Å; P305-T308 PolarHBondContact O-N 2.91Å; P305-R309 PolarHBondContact O-N 2.95Å; P305-R309 VanDerWaalsContact O-N 3.12Å
306V93.8Very high94Very high52 Ų5256.9 Ų56.932%0.31530%0.302SS..Hα-helixtrans-52-45.6-179.6174.40000111.5N229 I233 Q304 T308 R309 I310N229-V306 HydrophobicContact CB-CG1 3.54Å; N229-V306 VanDerWaalsContact CG-CG1 3.49Å; I233-V306 HydrophobicContact CD1-CG1 4.06Å; I233-V306 HydrophobicContact CG1-CG1 4.39Å; Q304-V306 PolarHBondContact O-N 2.97Å; V306-T308 VanDerWaalsContact C-N 3.26Å; V306-T308 PolarHBondContact O-N 3.39Å; V306-R309 PolarHBondContact O-N 3.07Å; V306-R309 VanDerWaalsContact O-N 3.15Å; V306-I310 PolarHBondContact O-N 3.23Å
307V94.5Very high94.1Very high65 Ų6555.4 Ų55.439%0.39429%0.294SS..Hα-helixtrans-56.4-40.9177.4174.80000111.5I233 L242 M246 P305 I310 S311I233-V307 HydrophobicContact CD1-CG2 4.41Å; L242-V307 HydrophobicContact CD2-CG1 4.18Å; L242-V307 HydrophobicContact CD2-CG2 4.16Å; M246-V307 HydrophobicContact CE-CG1 3.76Å; P305-V307 VanDerWaalsContact C-N 3.25Å; P305-V307 PolarHBondContact O-N 2.82Å; V307-I310 PolarHBondContact O-N 3.06Å; V307-S311 WeakPolarHBondContact O-CB 3.37Å; V307-S311 PolarHBondContact O-N 2.98Å
308T94.1Very high94.1Very high50 Ų5057.5 Ų57.531%0.30731%0.305SS..Hα-helixtrans-68.5-41.6178.7-500000111.2Q304 P305 V306 I310 S311 L312Q304-T308 HydrophobicContact CG-CG2 3.84Å; P305-T308 WeakPolarHBondContact O-CA 3.34Å; P305-T308 WeakPolarHBondContact O-CB 3.42Å; P305-T308 PolarHBondContact O-N 2.91Å; V306-T308 VanDerWaalsContact C-N 3.26Å; V306-T308 PolarHBondContact O-N 3.39Å; T308-I310 PolarHBondContact O-N 3.35Å; T308-S311 WeakPolarHBondContact CA-OG 3.27Å; T308-S311 WeakPolarHBondContact O-CB 3.49Å; T308-S311 PolarHBondContact O-N 3.12Å; T308-S311 VanDerWaalsContact O-N 3.14Å; T308-S311 PolarHBondContact O-OG 3.37Å; T308-L312 PolarHBondContact O-N 3.14Å
309R93.1Very high94.1Very high30 Ų3055.8 Ų55.811%0.11329%0.293CS..Hα-helixtrans-61.6-42.7175.4-70.6-167.9-65.4-104-1.3112.7D301 P302 Q304 P305 V306 S311 L312 L313D301-R309 PolarHBondContact O-NH1 3.43Å; P302-R309 PolarHBondContact O-NH1 3.4Å; Q304-R309 HydrophobicContact CB-CG 4.25Å; Q304-R309 PolarHBondContact O-NH1 3.1Å; P305-R309 PolarHBondContact O-N 2.95Å; P305-R309 VanDerWaalsContact O-N 3.12Å; V306-R309 PolarHBondContact O-N 3.07Å; V306-R309 VanDerWaalsContact O-N 3.15Å; R309-S311 VanDerWaalsContact C-N 3.29Å; R309-S311 PolarHBondContact O-N 3.4Å; R309-L312 PolarHBondContact O-N 2.92Å; R309-L313 PolarHBondContact O-N 2.9Å
310I96Very high94.1Very high1 Ų148.4 Ų48.41%0.00526%0.259CS..Hα-helixtrans-66.9-33.9175.5-59.7-50000111N229 I230 I233 L243 M246 F247 V306 V307 T308 L312 L313 A314N229-I310 HydrophobicContact CB-CD1 3.67Å; N229-I310 HydrophobicContact CB-CG1 3.97Å; I230-I310 HydrophobicContact CD1-CD1 4.48Å; I230-I310 HydrophobicContact CG1-CD1 3.91Å; I230-I310 HydrophobicContact CG1-CG1 4.39Å; I230-I310 HydrophobicContact CG1-CG2 4.18Å; I233-I310 HydrophobicContact CD1-CB 4.37Å; I233-I310 HydrophobicContact CD1-CG1 3.95Å; L243-I310 HydrophobicContact CD2-CG2 3.96Å; M246-I310 HydrophobicContact SD-CB 3.87Å; M246-I310 HydrophobicContact SD-CG2 3.51Å; M246-I310 VanDerWaalsContact SD-CG2 3.51Å; F247-I310 HydrophobicContact CE2-CG2 3.61Å; F247-I310 HydrophobicContact CZ-CG2 4.03Å; V306-I310 PolarHBondContact O-N 3.23Å; V307-I310 PolarHBondContact O-N 3.06Å; T308-I310 PolarHBondContact O-N 3.35Å; I310-L312 VanDerWaalsContact C-N 3.29Å; I310-L312 PolarHBondContact O-N 3.36Å; I310-L313 WeakPolarHBondContact O-CB 3.42Å; I310-L313 PolarHBondContact O-N 3.2Å; I310-A314 WeakPolarHBondContact O-CB 3.44Å; I310-A314 PolarHBondContact O-N 3.14Å
311S95.5Very high94.1Very high45 Ų4545.7 Ų45.732%0.31525%0.25SC..Hα-helixtrans-64.7-33.1175.378.60000113M246 V307 T308 R309 A314 K315M246-S311 WeakPolarHBondContact SD-CA 3.41Å; M246-S311 PolarHBondContact SD-N 2.94Å; V307-S311 WeakPolarHBondContact O-CB 3.37Å; V307-S311 PolarHBondContact O-N 2.98Å; T308-S311 WeakPolarHBondContact CA-OG 3.27Å; T308-S311 WeakPolarHBondContact O-CB 3.49Å; T308-S311 PolarHBondContact O-N 3.12Å; T308-S311 VanDerWaalsContact O-N 3.14Å; T308-S311 PolarHBondContact O-OG 3.37Å; R309-S311 VanDerWaalsContact C-N 3.29Å; R309-S311 PolarHBondContact O-N 3.4Å; S311-A314 PolarHBondContact O-N 2.97Å; S311-K315 WeakPolarHBondContact O-CB 3.17Å; S311-K315 PolarHBondContact O-N 3.42Å
312L95.6Very high94Very high45 Ų4545.2 Ų45.224%0.23625%0.247CC..Hα-helixtrans-67.6-42173-66.7174.2000111.3L297 T308 R309 I310 K315 A316L297-L312 HydrophobicContact CD2-CB 3.97Å; T308-L312 PolarHBondContact O-N 3.14Å; R309-L312 PolarHBondContact O-N 2.92Å; I310-L312 VanDerWaalsContact C-N 3.29Å; I310-L312 PolarHBondContact O-N 3.36Å; L312-K315 PolarHBondContact O-N 3.22Å; L312-A316 WeakPolarHBondContact O-CB 3.31Å; L312-A316 PolarHBondContact O-N 3.22Å
313L96.7Very high94Very high7 Ų746.4 Ų46.44%0.03724%0.243CC..Hα-helixtrans-62-46.3173.5178.362.9000111.5S226 I230 F247 L263 L297 R309 I310 K315 A316 V317S226-L313 WeakPolarHBondContact OG-CD2 3.05Å; I230-L313 HydrophobicContact CD1-CD2 4.29Å; F247-L313 HydrophobicContact CE1-CG 4.44Å; F247-L313 HydrophobicContact CZ-CD2 4.3Å; F247-L313 HydrophobicContact CZ-CG 4.31Å; L263-L313 HydrophobicContact CD1-CD2 4.44Å; L297-L313 HydrophobicContact CD1-CD1 4.07Å; R309-L313 PolarHBondContact O-N 2.9Å; I310-L313 WeakPolarHBondContact O-CB 3.42Å; I310-L313 PolarHBondContact O-N 3.2Å; L313-K315 VanDerWaalsContact C-N 3.33Å; L313-K315 PolarHBondContact O-N 3.43Å; L313-A316 WeakPolarHBondContact O-CB 3.26Å; L313-A316 PolarHBondContact O-N 3.01Å; L313-A316 VanDerWaalsContact O-N 3.12Å; L313-V317 HydrophobicContact CD1-CG2 4.18Å; L313-V317 HydrophobicContact CG-CG2 4.46Å; L313-V317 WeakPolarHBondContact O-CG2 3.25Å; L313-V317 PolarHBondContact O-N 2.9Å
314A96.8Very high93.7Very high1 Ų141.9 Ų41.91%0.00823%0.227CC..Hα-helixtrans-60.1-44.1177.600000111.6M246 F247 I310 S311 A316 V317 L318M246-A314 HydrophobicContact CG-CB 3.73Å; M246-A314 VanDerWaalsContact O-CB 3.32Å; M246-A314 WeakPolarHBondContact O-CB 3.31Å; M246-A314 HydrophobicContact SD-CB 4.46Å; F247-A314 HydrophobicContact CD1-CB 3.7Å; F247-A314 HydrophobicContact CD2-CB 3.97Å; F247-A314 VanDerWaalsContact CE1-CA 3.48Å; F247-A314 HydrophobicContact CE1-CB 3.71Å; F247-A314 HydrophobicContact CE2-CB 3.99Å; F247-A314 HydrophobicContact CG-CB 3.83Å; F247-A314 HydrophobicContact CZ-CB 3.86Å; I310-A314 WeakPolarHBondContact O-CB 3.44Å; I310-A314 PolarHBondContact O-N 3.14Å; S311-A314 PolarHBondContact O-N 2.97Å; A314-A316 VanDerWaalsContact C-N 3.32Å; A314-A316 PolarHBondContact O-N 3.19Å; A314-V317 PolarHBondContact O-N 3.11Å; A314-L318 VanDerWaalsContact O-CB 3.28Å; A314-L318 WeakPolarHBondContact O-CB 3.2Å; A314-L318 VanDerWaalsContact O-CG 3.23Å; A314-L318 WeakPolarHBondContact O-CG 3.44Å; A314-L318 PolarHBondContact O-N 3.21Å
315K95.9Very high93.5Very high124 Ų12442 Ų4254%0.53924%0.242SC..Hα-helixtrans-58.4-43.5173-174.5-174.4177.8-160.40111.9N296 S311 L312 L313 S319N296-K315 WeakPolarHBondContact OD1-CD 3.05Å; N296-K315 WeakPolarHBondContact OD1-CE 3.14Å; N296-K315 PolarHBondContact OD1-NZ 2.99Å; S311-K315 WeakPolarHBondContact O-CB 3.17Å; S311-K315 PolarHBondContact O-N 3.42Å; L312-K315 PolarHBondContact O-N 3.22Å; L313-K315 VanDerWaalsContact C-N 3.33Å; L313-K315 PolarHBondContact O-N 3.43Å; K315-S319 WeakPolarHBondContact O-CB 3.21Å; K315-S319 PolarHBondContact O-N 2.95Å
316A96.6Very high93Very high0 Ų044.4 Ų44.40%025%0.25CS..Hα-helixtrans-60.7-49.3178.100000111.6L293 N296 L297 L312 L313 A314 S319L293-A316 HydrophobicContact CD2-CB 4.11Å; L293-A316 HydrophobicContact CG-CB 4.03Å; N296-A316 HydrophobicContact CB-CB 3.75Å; L297-A316 HydrophobicContact CD1-CB 4.26Å; L297-A316 HydrophobicContact CD2-CB 4.44Å; L297-A316 HydrophobicContact CG-CB 4.06Å; L312-A316 WeakPolarHBondContact O-CB 3.31Å; L312-A316 PolarHBondContact O-N 3.22Å; L313-A316 WeakPolarHBondContact O-CB 3.26Å; L313-A316 PolarHBondContact O-N 3.01Å; L313-A316 VanDerWaalsContact O-N 3.12Å; A314-A316 VanDerWaalsContact C-N 3.32Å; A314-A316 PolarHBondContact O-N 3.19Å; A316-S319 PolarHBondContact O-N 3.49Å; A316-S319 PolarHBondContact O-OG 2.75Å
317V95.8Very high92.5Very high1 Ų146.9 Ų46.91%0.00626%0.258CS..Hα-helixtrans-63.7-46.8178.8173.30000111.2F247 Y262 L263 F266 L313 A314 S319 L320 T321 L330F247-V317 HydrophobicContact CE1-CG2 4.45Å; Y262-V317 HydrophobicContact CE1-CG1 4.44Å; L263-V317 HydrophobicContact CD2-CB 4.43Å; L263-V317 HydrophobicContact CD2-CG1 4.07Å; L263-V317 HydrophobicContact CD2-CG2 3.69Å; F266-V317 HydrophobicContact CD1-CG1 4.18Å; F266-V317 HydrophobicContact CD1-CG2 4.23Å; F266-V317 HydrophobicContact CE1-CB 4.32Å; F266-V317 HydrophobicContact CE1-CG1 4.06Å; F266-V317 HydrophobicContact CE1-CG2 4.11Å; L313-V317 HydrophobicContact CD1-CG2 4.18Å; L313-V317 HydrophobicContact CG-CG2 4.46Å; L313-V317 WeakPolarHBondContact O-CG2 3.25Å; L313-V317 PolarHBondContact O-N 2.9Å; A314-V317 PolarHBondContact O-N 3.11Å; V317-S319 VanDerWaalsContact C-N 3.29Å; V317-S319 PolarHBondContact O-N 3.4Å; V317-L320 PolarHBondContact O-N 3.2Å; V317-T321 HydrophobicContact CG1-CG2 3.96Å; V317-T321 WeakPolarHBondContact O-CB 3.3Å; V317-T321 WeakPolarHBondContact O-CG2 3.09Å; V317-T321 PolarHBondContact O-N 3.28Å; V317-T321 PolarHBondContact O-OG1 3.26Å; V317-L330 HydrophobicContact CG1-CD1 4.15Å
318L94.6Very high92.1Very high46 Ų4649.4 Ų49.424%0.24127%0.274CS..Hα-helixtrans-62.9-34.7179.3-73.1171.3000112.5N248 A314 L320 T321 N322 L330N248-L318 HydrophobicContact CB-CD1 4.29Å; N248-L318 HydrophobicContact CB-CD2 4.12Å; A314-L318 VanDerWaalsContact O-CB 3.28Å; A314-L318 WeakPolarHBondContact O-CB 3.2Å; A314-L318 VanDerWaalsContact O-CG 3.23Å; A314-L318 WeakPolarHBondContact O-CG 3.44Å; A314-L318 PolarHBondContact O-N 3.21Å; L318-L320 PolarHBondContact O-N 3.26Å; L318-T321 VanDerWaalsContact CA-OG1 3.3Å; L318-T321 WeakPolarHBondContact CA-OG1 3.26Å; L318-T321 PolarHBondContact O-OG1 2.97Å; L318-N322 WeakPolarHBondContact O-CB 3.43Å; L318-N322 PolarHBondContact O-N 2.79Å; L318-L330 HydrophobicContact CD2-CD1 3.95Å; L318-L330 HydrophobicContact CD2-CD2 4.01Å; L318-L330 HydrophobicContact CD2-CG 3.84Å
319S93.1Very high92Very high31 Ų3148.4 Ų48.422%0.21727%0.268CS..Hα-helixtrans-64.8-25.6178.675.50000114.1N296 K315 A316 V317N296-S319 PolarHBondContact ND2-OG 3.41Å; K315-S319 WeakPolarHBondContact O-CB 3.21Å; K315-S319 PolarHBondContact O-N 2.95Å; A316-S319 PolarHBondContact O-N 3.49Å; A316-S319 PolarHBondContact O-OG 2.75Å; V317-S319 VanDerWaalsContact C-N 3.29Å; V317-S319 PolarHBondContact O-N 3.4Å
320L93.3Very high91.9Very high2 Ų247.3 Ų47.31%0.0127%0.265CS..Hα-helixtrans-98.1-46178.5-83.9174.5000112.6F266 I270 L285 P286 P289 Y292 L293 V317 L318 N322 Y323F266-L320 HydrophobicContact CZ-CB 3.78Å; F266-L320 HydrophobicContact CZ-CD1 4.08Å; I270-L320 HydrophobicContact CD1-CD1 4.33Å; L285-L320 HydrophobicContact CD2-CD2 4.17Å; P286-L320 HydrophobicContact CG-CD2 3.58Å; P289-L320 HydrophobicContact CB-CD2 4.37Å; P289-L320 WeakPolarHBondContact O-CD1 3.34Å; Y292-L320 HydrophobicContact CD1-CD1 4.27Å; Y292-L320 HydrophobicContact CD1-CD2 3.27Å; Y292-L320 HydrophobicContact CD1-CG 3.53Å; Y292-L320 HydrophobicContact CE1-CD2 3.76Å; Y292-L320 HydrophobicContact CE1-CG 3.94Å; Y292-L320 HydrophobicContact CG-CD2 3.88Å; Y292-L320 HydrophobicContact CG-CG 4.5Å; L293-L320 HydrophobicContact CB-CD1 3.53Å; L293-L320 HydrophobicContact CD1-CD1 4.01Å; L293-L320 HydrophobicContact CG-CD1 4.13Å; V317-L320 PolarHBondContact O-N 3.2Å; L318-L320 PolarHBondContact O-N 3.26Å; L320-N322 PolarHBondContact O-N 3.35Å; L320-Y323 WeakPolarHBondContact O-CB 3.35Å; L320-Y323 PolarHBondContact O-N 2.93Å
321T90.6Very high91.5Very high14 Ų1450.8 Ų50.89%0.08628%0.284CS..Hα-helixtrans-61.4-32.4178.749.80000111.6Y262 F266 V317 L318 Q327 L330Y262-T321 WeakPolarHBondContact OH-CG2 3.39Å; F266-T321 HydrophobicContact CD2-CG2 4.06Å; F266-T321 HydrophobicContact CE2-CG2 3.6Å; F266-T321 HydrophobicContact CZ-CG2 3.92Å; V317-T321 HydrophobicContact CG1-CG2 3.96Å; V317-T321 WeakPolarHBondContact O-CB 3.3Å; V317-T321 WeakPolarHBondContact O-CG2 3.09Å; V317-T321 PolarHBondContact O-N 3.28Å; V317-T321 PolarHBondContact O-OG1 3.26Å; L318-T321 VanDerWaalsContact CA-OG1 3.3Å; L318-T321 WeakPolarHBondContact CA-OG1 3.26Å; L318-T321 PolarHBondContact O-OG1 2.97Å; T321-Q327 WeakPolarHBondContact O-CG 3.29Å; T321-L330 HydrophobicContact CG2-CD2 4.04Å; T321-L330 WeakPolarHBondContact OG1-CD2 2.99Å
322N90.4Very high91.2Very high63 Ų6349 Ų4934%0.33727%0.27SS..THydrogen-bonded Turntrans-103.429172.5-160.721.8000113.5L318 L320 T324 G325 N326 Q327L318-N322 WeakPolarHBondContact O-CB 3.43Å; L318-N322 PolarHBondContact O-N 2.79Å; L320-N322 PolarHBondContact O-N 3.35Å; N322-T324 PolarHBondContact O-N 3.15Å; N322-G325 PolarHBondContact O-N 2.85Å; N322-G325 WeakPolarHBondContact OD1-CA 3.34Å; N322-G325 PolarHBondContact OD1-N 2.63Å; N322-N326 PolarHBondContact OD1-N 3.13Å; N322-Q327 HydrophobicContact CB-CB 4.2Å; N322-Q327 VanDerWaalsContact CG-O 3.25Å; N322-Q327 PolarHBondContact ND2-O 2.95Å; N322-Q327 PolarHBondContact OD1-N 2.03Å; N322-Q327 PolarHBondContact OD1-O 2.88Å
323Y89.2Confident90.2Very high97 Ų9749 Ų4938%0.3827%0.274SS..THydrogen-bonded Turntrans-56.7-35.1-179.1172.8-111.3000113.2P286 L320P286-Y323 HydrophobicContact CB-CD2 4.33Å; P286-Y323 HydrophobicContact CB-CE1 4.35Å; P286-Y323 HydrophobicContact CB-CE2 3.77Å; P286-Y323 HydrophobicContact CG-CD2 4.26Å; P286-Y323 HydrophobicContact CG-CE2 4.2Å; L320-Y323 WeakPolarHBondContact O-CB 3.35Å; L320-Y323 PolarHBondContact O-N 2.93Å
324T87Confident88.6Confident72 Ų7251.8 Ų51.844%0.44229%0.287SS..THydrogen-bonded Turntrans-84.7-7.917857.40000114A284 N322 N326A284-T324 HydrophobicContact CB-CG2 3.65Å; N322-T324 PolarHBondContact O-N 3.15Å; T324-N326 VanDerWaalsContact C-N 3.27Å; T324-N326 PolarHBondContact O-N 2.8Å
325G87.7Confident86.6Confident53 Ų5358.1 Ų58.155%0.54632%0.321SS..SBendtrans77.52.2-176.900000115.5N322N322-G325 PolarHBondContact O-N 2.85Å; N322-G325 WeakPolarHBondContact OD1-CA 3.34Å; N322-G325 PolarHBondContact OD1-N 2.63Å
326N82.8Confident84.5Confident134 Ų13455.3 Ų55.372%0.71731%0.312SS*.  trans-91.9-11.2-174.5-67.9-24.3000114.4N322 T324N322-N326 PolarHBondContact OD1-N 3.13Å; T324-N326 VanDerWaalsContact C-N 3.27Å; T324-N326 PolarHBondContact O-N 2.8Å
327Q82.4Confident82.5Confident104 Ų10461.2 Ų61.249%0.48635%0.35SS..  trans-91.7122.6-177.6-67.3-65.5-12.100110.7T321 N322T321-Q327 WeakPolarHBondContact O-CG 3.29Å; N322-Q327 HydrophobicContact CB-CB 4.2Å; N322-Q327 VanDerWaalsContact CG-O 3.25Å; N322-Q327 PolarHBondContact ND2-O 2.95Å; N322-Q327 PolarHBondContact OD1-N 2.03Å; N322-Q327 PolarHBondContact OD1-O 2.88Å
328T87.3Confident81.3Confident117 Ų11763.1 Ų63.172%0.71836%0.36SS*.SBendtrans-88-29.5179.552.70000113.2N248N248-T328 PolarHBondContact ND2-O 3.34Å
329C92.5Very high80.5Confident29 Ų2962.9 Ų62.920%0.19636%0.361CS..SBendtrans-158163.7-179.755.90000109.6N248 C250N248-C329 CarbonylContact O-C 3.58Å; N248-C329 WeakPolarHBondContact O-CA 3.17Å; N248-C329 WeakPolarHBondContact O-CB 3.46Å; C250-C329 WeakPolarHBondContact CA-SG 3.46Å; C250-C329 HydrophobicContact CB-CB 3.96Å; C250-C329 WeakPolarHBondContact CB-SG 3.48Å; C250-C329 WeakPolarHBondContact SG-CB 3.32Å; C250-C329 CovalentContact SG-SG 2.03Å; C250-C329 PolarHBondContact SG-SG 3.33Å
330L91Very high79.7Confident7 Ų761.8 Ų61.84%0.03735%0.352CS..BIsolated β-bridgetrans-85.2113.2174.9-59.4-172.4000110.2F247 N248 I249 C250 Y262 V317 L318 T321 I332F247-L330 HydrophobicContact CB-CD1 4.32Å; F247-L330 WeakPolarHBondContact O-CD1 3.33Å; F247-L330 VanDerWaalsContact O-CG 3.32Å; F247-L330 WeakPolarHBondContact O-CG 3.12Å; N248-L330 PolarHBondContact O-N 2.94Å; I249-L330 WeakPolarHBondContact CA-O 3.18Å; C250-L330 PolarHBondContact N-O 2.67Å; Y262-L330 HydrophobicContact CE1-CD1 4.05Å; V317-L330 HydrophobicContact CG1-CD1 4.15Å; L318-L330 HydrophobicContact CD2-CD1 3.95Å; L318-L330 HydrophobicContact CD2-CD2 4.01Å; L318-L330 HydrophobicContact CD2-CG 3.84Å; T321-L330 HydrophobicContact CG2-CD2 4.04Å; T321-L330 WeakPolarHBondContact OG1-CD2 2.99Å; L330-I332 HydrophobicContact CB-CG2 4.25Å; L330-I332 PolarHBondContact O-N 2.76Å
331D87.7Confident79Confident75 Ų7562 Ų6240%0.40135%0.354SS..  trans-83.1100.7168.1-171-5.8000109.1S333D331-S333 VanDerWaalsContact C-N 3.33Å; D331-S333 WeakPolarHBondContact OD1-CB 3.46Å; D331-S333 PolarHBondContact OD1-N 2.94Å; D331-S333 PolarHBondContact OD1-OG 3.49Å
332I87.3Confident78.5Confident8 Ų863.5 Ų63.54%0.04136%0.361CS..  trans-92.33.6178.768.7169.7000112.3H21 I249 L253 N258 I259 Y262 L330H21-I332 PolarHBondContact NE2-O 3.13Å; I249-I332 HydrophobicContact CD1-CD1 4.09Å; I249-I332 HydrophobicContact CG2-CD1 3.71Å; I249-I332 HydrophobicContact CG2-CG1 3.71Å; I249-I332 HydrophobicContact CG2-CG2 4.19Å; L253-I332 HydrophobicContact CD1-CD1 3.62Å; N258-I332 HydrophobicContact CB-CD1 4.01Å; I259-I332 HydrophobicContact CB-CD1 4.38Å; Y262-I332 HydrophobicContact CD1-CG2 4.02Å; Y262-I332 HydrophobicContact CD2-CB 4.1Å; Y262-I332 HydrophobicContact CD2-CG2 3.75Å; Y262-I332 HydrophobicContact CE2-CG2 4.26Å; Y262-I332 HydrophobicContact CG-CB 4.14Å; Y262-I332 HydrophobicContact CG-CG2 3.61Å; L330-I332 HydrophobicContact CB-CG2 4.25Å; L330-I332 PolarHBondContact O-N 2.76Å
333S75.3Confident78.5Confident44 Ų4460.5 Ų60.531%0.30835%0.345SS..  trans-69135.7-176.774.10000110.7D331 N335D331-S333 VanDerWaalsContact C-N 3.33Å; D331-S333 WeakPolarHBondContact OD1-CB 3.46Å; D331-S333 PolarHBondContact OD1-N 2.94Å; D331-S333 PolarHBondContact OD1-OG 3.49Å; S333-N335 PolarHBondContact O-N 3.44Å; S333-N335 VanDerWaalsContact O-N 3.14Å
334M63.4Low78.6Confident65 Ų6556.2 Ų56.232%0.3233%0.328SS..SBendtrans-77.99.3-177.7-59.4-178.475.700113.7L17L17-M334 HydrophobicContact CD2-CE 4.44Å
335N54.3Low78.7Confident135 Ų13552.9 Ų52.972%0.72231%0.308SS*.  trans-107.719.8-156.5-86.9-15.2000114.8S333 P337S333-N335 PolarHBondContact O-N 3.44Å; S333-N335 VanDerWaalsContact O-N 3.14Å; N335-P337 WeakPolarHBondContact O-CD 3.23Å; N335-P337 WeakPolarHBondContact O-CG 3.34Å
336L52.9Low78.9Confident65 Ų6550.4 Ų50.434%0.3428%0.282SS..  trans-62109.1173.5-67.8-179.3000109R20 N338R20-L336 WeakPolarHBondContact O-CD1 3.22Å; L336-N338 PolarHBondContact O-N 2.99Å
337P53.4Low79.5Confident124 Ų12444 Ų4481%0.80525%0.248SC*.  trans-7873.8178.7415.6000107N335N335-P337 WeakPolarHBondContact O-CD 3.23Å; N335-P337 WeakPolarHBondContact O-CG 3.34Å
338N71.9Confident80Confident41 Ų4139 Ų3922%0.21923%0.225CC..  trans-100128.6174.5-172-5.4000108.6L336 D340 V341 N342L336-N338 PolarHBondContact O-N 2.99Å; N338-D340 PolarHBondContact O-N 2.79Å; N338-D340 PolarHBondContact OD1-N 3.29Å; N338-D340 VanDerWaalsContact OD1-N 3.17Å; N338-D340 PolarHBondContact OD1-OD2 2.97Å; N338-V341 HydrophobicContact CB-CB 4.28Å; N338-V341 HydrophobicContact CB-CG2 3.92Å; N338-V341 PolarHBondContact O-N 3.16Å; N338-N342 PolarHBondContact O-N 2.63Å; N338-N342 VanDerWaalsContact O-N 3.15Å; N338-N342 PolarHBondContact O-ND2 3.05Å
339V76.7Confident80.3Confident40 Ų4033.5 Ų33.524%0.24219%0.19CC..Hα-helixtrans-54-37.4177.169.40000111.4L114 F121 N342 G343L114-V339 HydrophobicContact CD1-CG2 4.32Å; L114-V339 HydrophobicContact CD2-CG2 3.81Å; F121-V339 HydrophobicContact CD2-CG2 3.86Å; F121-V339 HydrophobicContact CE2-CG2 3.28Å; F121-V339 HydrophobicContact CZ-CG2 4.15Å; V339-N342 PolarHBondContact O-N 3.3Å; V339-G343 PolarHBondContact O-N 2.96Å
340D77.7Confident80.4Confident8 Ų833.5 Ų33.54%0.04319%0.188CC..Hα-helixtrans-71.2-39-178.1-55.4-42.2000112P80 Y110 G111 N338 N342 G343 W344P80-D340 WeakPolarHBondContact CD-OD2 3.28Å; Y110-D340 HydrophobicContact CD1-CB 3.92Å; Y110-D340 HydrophobicContact CE1-CB 4.35Å; Y110-D340 WeakPolarHBondContact CE1-O 3.31Å; G111-D340 PolarHBondContact N-OD1 3.13Å; N338-D340 PolarHBondContact O-N 2.79Å; N338-D340 PolarHBondContact OD1-N 3.29Å; N338-D340 VanDerWaalsContact OD1-N 3.17Å; N338-D340 PolarHBondContact OD1-OD2 2.97Å; D340-N342 PolarHBondContact O-N 3.33Å; D340-G343 WeakPolarHBondContact O-CA 3.42Å; D340-G343 PolarHBondContact O-N 3.22Å; D340-W344 PolarHBondContact O-N 2.78Å
341V77Confident80.5Confident7 Ų733.5 Ų33.54%0.04219%0.188CC..Hα-helixtrans-64.5-42.7176.5174.50000110.3T19 R20 N338 G343 D345T19-V341 WeakPolarHBondContact O-CG2 3.39Å; R20-V341 HydrophobicContact CG-CG1 3.55Å; N338-V341 HydrophobicContact CB-CB 4.28Å; N338-V341 HydrophobicContact CB-CG2 3.92Å; N338-V341 PolarHBondContact O-N 3.16Å; V341-G343 VanDerWaalsContact C-N 3.33Å; V341-D345 VanDerWaalsContact O-CB 3.24Å; V341-D345 WeakPolarHBondContact O-CB 3.38Å; V341-D345 PolarHBondContact O-N 3.38Å
342N81.1Confident80.8Confident46 Ų4629.9 Ų29.925%0.24617%0.169CC..Hα-helixtrans-65.4-37.9174.4-71.2-35000111.9F121 N338 V339 D340 L346F121-N342 HydrophobicContact CD1-CB 4.03Å; F121-N342 HydrophobicContact CE1-CB 4.16Å; F121-N342 HydrophobicContact CG-CB 4.4Å; N338-N342 PolarHBondContact O-N 2.63Å; N338-N342 VanDerWaalsContact O-N 3.15Å; N338-N342 PolarHBondContact O-ND2 3.05Å; V339-N342 PolarHBondContact O-N 3.3Å; D340-N342 PolarHBondContact O-N 3.33Å; N342-L346 WeakPolarHBondContact O-CB 2.94Å; N342-L346 PolarHBondContact O-N 2.76Å
343G90.9Very high81.1Confident0 Ų029.6 Ų29.60%017%0.167CC..Hα-helixtrans-50.7-60.5171.700000112.1F121 L130 V339 D340 V341 L346 Q347F121-G343 VanDerWaalsContact CE1-CA 3.49Å; L130-G343 WeakPolarHBondContact CD2-O 3.19Å; V339-G343 PolarHBondContact O-N 2.96Å; D340-G343 WeakPolarHBondContact O-CA 3.42Å; D340-G343 PolarHBondContact O-N 3.22Å; V341-G343 VanDerWaalsContact C-N 3.33Å; G343-L346 PolarHBondContact O-N 3.06Å; G343-Q347 PolarHBondContact O-N 3.09Å
344W91.3Very high81.9Confident7 Ų727.6 Ų27.63%0.02715%0.153CC..Hα-helixtrans-70.4-42.3-173.8-175.9-87.5000112.7F15 G16 E78 Y110 Y165 D340 L346 Q347 A348 M352F15-W344 HydrophobicContact CB-CZ2 3.93Å; G16-W344 VanDerWaalsContact N-NE1 3.15Å; E78-W344 HydrophobicContact CB-CB 4.28Å; E78-W344 HydrophobicContact CB-CD2 4.17Å; E78-W344 HydrophobicContact CB-CE3 3.54Å; E78-W344 HydrophobicContact CB-CZ3 4.26Å; 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 4.31Å; Y110-W344 VanDerWaalsContact OH-CA 3.27Å; Y110-W344 WeakPolarHBondContact OH-CA 3.43Å; Y110-W344 PolarHBondContact OH-N 3.19Å; Y110-W344 VanDerWaalsContact OH-N 3.08Å; Y165-W344 HydrophobicContact CD1-CE3 4.3Å; Y165-W344 HydrophobicContact CD1-CH2 4.39Å; Y165-W344 AromaticContact CD1-CZ3 3.51Å; Y165-W344 HydrophobicContact CD1-CZ3 3.51Å; Y165-W344 HydrophobicContact CD2-CH2 4.32Å; Y165-W344 HydrophobicContact CD2-CZ3 4.11Å; Y165-W344 HydrophobicContact CE1-CZ3 4.07Å; Y165-W344 AromaticContact CG-CH2 3.97Å; Y165-W344 HydrophobicContact CG-CH2 3.97Å; Y165-W344 AromaticContact CG-CZ3 3.54Å; Y165-W344 HydrophobicContact CG-CZ3 3.54Å; D340-W344 PolarHBondContact O-N 2.78Å; W344-L346 PolarHBondContact O-N 2.74Å; W344-Q347 PolarHBondContact O-N 3.36Å; W344-Q347 VanDerWaalsContact O-N 3.14Å; W344-A348 WeakPolarHBondContact O-CB 3.41Å; W344-A348 PolarHBondContact O-N 2.84Å; W344-M352 HydrophobicContact CH2-CB 4.32Å; W344-M352 HydrophobicContact CH2-CG 4.26Å; W344-M352 HydrophobicContact CZ2-CB 4.47Å; W344-M352 HydrophobicContact CZ3-CG 4.44Å
345D88.5Confident83.3Confident2 Ų225 Ų251%0.01114%0.141CC..Hα-helixtrans-59.4-38.4178-171.742000111.4R20 V341 C349 Y378 R382 F383R20-D345 VanDerWaalsContact NH2-CG 3.26Å; R20-D345 IonicContact NH2-OD1 3.04Å; R20-D345 PolarHBondContact NH2-OD1 3.49Å; R20-D345 IonicContact NH2-OD2 3.5Å; R20-D345 PolarHBondContact NH2-OD2 3.15Å; V341-D345 VanDerWaalsContact O-CB 3.24Å; V341-D345 WeakPolarHBondContact O-CB 3.38Å; V341-D345 PolarHBondContact O-N 3.38Å; D345-C349 WeakPolarHBondContact O-CB 3.43Å; D345-C349 PolarHBondContact O-N 3.26Å; D345-Y378 PolarHBondContact OD1-OH 3.25Å; D345-Y378 PolarHBondContact OD2-OH 3.32Å; D345-R382 WeakPolarHBondContact OD2-CD 3.43Å; D345-R382 IonicContact OD2-CZ 3.25Å; D345-R382 IonicContact OD2-NE 2.64Å; D345-R382 PolarHBondContact OD2-NE 3.49Å; D345-R382 IonicContact OD2-NH2 3.59Å; D345-R382 PolarHBondContact OD2-NH2 3.28Å; D345-F383 HydrophobicContact CB-CE2 4.4Å; D345-F383 HydrophobicContact CB-CZ 4.2Å; D345-F383 WeakPolarHBondContact OD2-CZ 2.98Å
346L92.6Very high85.1Confident0 Ų018.6 Ų18.60%011%0.107CC..Hα-helixtrans-68.2-45.2173.2178.263.1000112.2F121 F127 L130 N342 G343 W344 A348 C349 M350 F383F121-L346 HydrophobicContact CD1-CD2 4.31Å; F121-L346 HydrophobicContact CE1-CD2 4.37Å; F127-L346 HydrophobicContact CB-CD2 3.37Å; F127-L346 HydrophobicContact CD1-CD2 4.12Å; F127-L346 HydrophobicContact CD2-CD1 3.9Å; F127-L346 HydrophobicContact CD2-CD2 3.44Å; F127-L346 VanDerWaalsContact CD2-CD2 3.44Å; F127-L346 HydrophobicContact CD2-CG 4.24Å; F127-L346 HydrophobicContact CE2-CD1 3.81Å; F127-L346 HydrophobicContact CE2-CD2 4.2Å; F127-L346 HydrophobicContact CG-CD1 4.45Å; F127-L346 HydrophobicContact CG-CD2 3.39Å; F127-L346 HydrophobicContact CZ-CD1 4.29Å; L130-L346 HydrophobicContact CD2-CD2 4.16Å; N342-L346 WeakPolarHBondContact O-CB 2.94Å; N342-L346 PolarHBondContact O-N 2.76Å; G343-L346 PolarHBondContact O-N 3.06Å; W344-L346 PolarHBondContact O-N 2.74Å; L346-A348 VanDerWaalsContact C-N 3.3Å; L346-A348 PolarHBondContact O-N 2.94Å; L346-C349 CarbonylContact O-C 3.48Å; L346-C349 PolarHBondContact O-N 3.2Å; L346-C349 VanDerWaalsContact O-N 3.1Å; L346-M350 HydrophobicContact CD1-CE 4.32Å; L346-M350 HydrophobicContact CD1-CG 4.3Å; L346-M350 HydrophobicContact CD1-SD 4.09Å; L346-M350 HydrophobicContact CD2-CE 4.32Å; L346-M350 HydrophobicContact CG-CE 3.84Å; L346-M350 HydrophobicContact CG-SD 4.26Å; L346-M350 WeakPolarHBondContact O-CG 3.46Å; L346-M350 PolarHBondContact O-N 2.98Å; L346-M350 VanDerWaalsContact O-N 3.12Å; L346-F383 HydrophobicContact CB-CE1 4.3Å; L346-F383 HydrophobicContact CB-CE2 4.35Å; L346-F383 HydrophobicContact CB-CZ 4.15Å; L346-F383 HydrophobicContact CD1-CB 3.86Å; L346-F383 HydrophobicContact CD1-CD1 3.94Å; L346-F383 HydrophobicContact CD1-CD2 4Å; L346-F383 HydrophobicContact CD1-CE1 4.45Å; L346-F383 HydrophobicContact CD1-CG 3.68Å
347Q93.9Very high87Confident0 Ų015.9 Ų15.90%09%0.093CC..Hα-helixtrans-59.3-41.7175.6-76.8-168.6-87.400112.1Y110 L130 Y165 G343 W344 C349 M350 E351 M352Y110-Q347 VanDerWaalsContact CE2-OE1 3.29Å; Y110-Q347 PolarHBondContact OH-OE1 3.02Å; L130-Q347 HydrophobicContact CD1-CG 3.8Å; L130-Q347 HydrophobicContact CD2-CG 3.85Å; L130-Q347 HydrophobicContact CG-CG 3.5Å; Y165-Q347 PolarHBondContact OH-NE2 3.33Å; G343-Q347 PolarHBondContact O-N 3.09Å; W344-Q347 PolarHBondContact O-N 3.36Å; W344-Q347 VanDerWaalsContact O-N 3.14Å; Q347-C349 VanDerWaalsContact C-N 3.25Å; Q347-C349 PolarHBondContact O-N 2.87Å; Q347-M350 CarbonylContact O-C 3.51Å; Q347-M350 PolarHBondContact O-N 3.46Å; Q347-E351 PolarHBondContact NE2-OE1 3.27Å; Q347-E351 VanDerWaalsContact NE2-OE1 3.17Å; Q347-E351 PolarHBondContact O-N 3Å; Q347-M352 HydrophobicContact CB-CG 4.27Å; Q347-M352 PolarHBondContact O-N 3.13Å
348A93.3Very high88.9Confident0 Ų010 Ų100%06%0.055CC..Hα-helixtrans-64.5-30.8176.300000112.2W344 L346 M350 M352 Y375W344-A348 WeakPolarHBondContact O-CB 3.41Å; W344-A348 PolarHBondContact O-N 2.84Å; L346-A348 VanDerWaalsContact C-N 3.3Å; L346-A348 PolarHBondContact O-N 2.94Å; A348-M350 VanDerWaalsContact C-N 3.3Å; A348-M352 WeakPolarHBondContact CA-O 3.44Å; A348-Y375 WeakPolarHBondContact CB-OH 3.29Å; A348-Y375 PolarHBondContact O-OH 3.4Å
349C93.7Very high89.5Confident0 Ų010.8 Ų10.80%06%0.064CC..Hα-helixtrans-78.9-8.6172.5-88.70000114.6D345 L346 Q347 C379 F383 V385 P387D345-C349 WeakPolarHBondContact O-CB 3.43Å; D345-C349 PolarHBondContact O-N 3.26Å; L346-C349 CarbonylContact O-C 3.48Å; L346-C349 PolarHBondContact O-N 3.2Å; L346-C349 VanDerWaalsContact O-N 3.1Å; Q347-C349 VanDerWaalsContact C-N 3.25Å; Q347-C349 PolarHBondContact O-N 2.87Å; C349-C379 WeakPolarHBondContact CA-SG 3.36Å; C349-C379 HydrophobicContact CB-CB 3.59Å; C349-C379 WeakPolarHBondContact CB-SG 3.4Å; C349-C379 WeakPolarHBondContact SG-CA 3.5Å; C349-C379 WeakPolarHBondContact SG-CB 3.37Å; C349-C379 CovalentContact SG-SG 2.04Å; C349-C379 PolarHBondContact SG-SG 2.86Å; C349-F383 HydrophobicContact CB-CD2 3.94Å; C349-F383 HydrophobicContact CB-CE2 4.31Å; C349-V385 HydrophobicContact CB-CG2 4.07Å; C349-P387 WeakPolarHBondContact O-CA 3.31Å
350M94.4Very high89.5Confident29 Ų2911 Ų1114%0.1437%0.074CC..Hα-helixtrans-111.4-78.8179.3-65.2-172.3-53.800111.8L130 L346 Q347 A348 V385 R388L130-M350 HydrophobicContact CB-CE 4.32Å; L130-M350 WeakPolarHBondContact O-CE 3.4Å; L346-M350 HydrophobicContact CD1-CE 4.32Å; L346-M350 HydrophobicContact CD1-CG 4.3Å; L346-M350 HydrophobicContact CD1-SD 4.09Å; L346-M350 HydrophobicContact CD2-CE 4.32Å; L346-M350 HydrophobicContact CG-CE 3.84Å; L346-M350 HydrophobicContact CG-SD 4.26Å; L346-M350 WeakPolarHBondContact O-CG 3.46Å; L346-M350 PolarHBondContact O-N 2.98Å; L346-M350 VanDerWaalsContact O-N 3.12Å; Q347-M350 CarbonylContact O-C 3.51Å; Q347-M350 PolarHBondContact O-N 3.46Å; A348-M350 VanDerWaalsContact C-N 3.3Å; M350-V385 HydrophobicContact CG-CG2 4.05Å; M350-R388 PolarHBondContact O-N 3.38Å
351E93.6Very high89.7Confident7 Ų716.2 Ų16.23%0.03311%0.108CC..THydrogen-bonded Turntrans-109.3-32.1-170.851.1168.8-164.300113.6T131 A132 F194 Q347 V353 P392T131-E351 WeakPolarHBondContact CA-OE1 3.45Å; A132-E351 PolarHBondContact N-OE1 2.69Å; A132-E351 PolarHBondContact N-OE2 2.92Å; F194-E351 VanDerWaalsContact CE1-O 3.31Å; F194-E351 WeakPolarHBondContact CE1-O 3.45Å; Q347-E351 PolarHBondContact NE2-OE1 3.27Å; Q347-E351 VanDerWaalsContact NE2-OE1 3.17Å; Q347-E351 PolarHBondContact O-N 3Å; E351-V353 VanDerWaalsContact C-N 3.28Å; E351-V353 PolarHBondContact O-N 3.5Å; E351-V353 VanDerWaalsContact O-N 3.17Å; E351-P392 WeakPolarHBondContact O-CG 3.34Å
352M93.9Very high90.3Very high0 Ų019.7 Ų19.70%013%0.129CC..  trans-91.547.2-175.1-59.8-56.2151.300112.5A132 Y165 M168 W172 F194 W344 Q347 A348 T354 F396A132-M352 HydrophobicContact CB-CE 3.83Å; Y165-M352 HydrophobicContact CD2-SD 4.47Å; Y165-M352 HydrophobicContact CE2-CE 3.68Å; Y165-M352 HydrophobicContact CE2-SD 4.12Å; M168-M352 HydrophobicContact CE-SD 4.3Å; W172-M352 HydrophobicContact CH2-CE 3.74Å; W172-M352 HydrophobicContact CH2-SD 4.01Å; W172-M352 HydrophobicContact CZ3-CE 3.8Å; F194-M352 HydrophobicContact CE1-SD 3.95Å; F194-M352 HydrophobicContact CZ-SD 4.08Å; W344-M352 HydrophobicContact CH2-CB 4.32Å; W344-M352 HydrophobicContact CH2-CG 4.26Å; W344-M352 HydrophobicContact CZ2-CB 4.47Å; W344-M352 HydrophobicContact CZ3-CG 4.44Å; Q347-M352 HydrophobicContact CB-CG 4.27Å; Q347-M352 PolarHBondContact O-N 3.13Å; A348-M352 WeakPolarHBondContact CA-O 3.44Å; M352-T354 PolarHBondContact O-N 3.49Å; M352-T354 PolarHBondContact O-OG1 3.19Å; M352-F396 HydrophobicContact CE-CE2 4.15Å; M352-F396 HydrophobicContact CE-CZ 4.3Å
353V93.9Very high90.9Very high1 Ų117.8 Ų17.81%0.00612%0.119CC..  trans-70.6114.1-177-172.40000110P195 E351 W370 Y375 P387 V389P195-V353 WeakPolarHBondContact CD-O 3.37Å; P195-V353 HydrophobicContact CG-CB 4.31Å; P195-V353 HydrophobicContact CG-CG1 3.99Å; E351-V353 VanDerWaalsContact C-N 3.28Å; E351-V353 PolarHBondContact O-N 3.5Å; E351-V353 VanDerWaalsContact O-N 3.17Å; V353-W370 HydrophobicContact CG1-CH2 3.65Å; V353-W370 HydrophobicContact CG1-CZ2 3.91Å; V353-Y375 HydrophobicContact CG1-CD1 4.15Å; V353-Y375 HydrophobicContact CG1-CE1 3.82Å; V353-P387 HydrophobicContact CG2-CB 3.47Å; V353-P387 VanDerWaalsContact CG2-CB 3.47Å; V353-V389 HydrophobicContact CB-CG1 4.43Å; V353-V389 HydrophobicContact CG1-CG1 4.15Å; V353-V389 HydrophobicContact CG2-CG1 4.27Å
354T92.5Very high91.2Very high2 Ų217.8 Ų17.81%0.01212%0.119CC..  trans-112.6110-176.5-50.30000112L193 M352 T356 W370 W417 F420L193-T354 HydrophobicContact CB-CG2 4.13Å; L193-T354 WeakPolarHBondContact CD1-OG1 3.42Å; M352-T354 PolarHBondContact O-N 3.49Å; M352-T354 PolarHBondContact O-OG1 3.19Å; T354-T356 HydrophobicContact CG2-CG2 3.98Å; T354-T356 PolarHBondContact O-N 2.72Å; T354-W370 VanDerWaalsContact O-CZ3 3.28Å; T354-W370 WeakPolarHBondContact O-CZ3 3.3Å; T354-W417 HydrophobicContact CG2-CH2 4.46Å; T354-W417 HydrophobicContact CG2-CZ3 4.12Å; T354-F420 HydrophobicContact CG2-CD2 4.3Å; T354-F420 HydrophobicContact CG2-CE2 3.96Å
355P92.4Very high91.3Very high11 Ų1117.6 Ų17.67%0.07112%0.119CC..  trans-74.9111.7169.43.212.7000111.3L193 P195 C200 W370L193-P355 WeakPolarHBondContact O-CD 3.41Å; P195-P355 VanDerWaalsContact CA-CG 3.5Å; P195-P355 HydrophobicContact CB-CG 4.05Å; P195-P355 HydrophobicContact CG-CG 3.99Å; C200-P355 HydrophobicContact CB-CB 4.18Å; P355-W370 VanDerWaalsContact CA-CE3 3.47Å; P355-W370 HydrophobicContact CB-CB 4.46Å; P355-W370 HydrophobicContact CB-CD2 3.57Å; P355-W370 HydrophobicContact CB-CE3 4.07Å; P355-W370 HydrophobicContact CB-CG 3.7Å; P355-W370 HydrophobicContact CB-CZ2 4.21Å; P355-W370 HydrophobicContact CG-CZ2 4.44Å
356T91.6Very high91.5Very high1 Ų117.6 Ų17.61%0.00612%0.118CC..  trans-118.9144.2165.456.90000110.2P12 L13 F203 T354 F420P12-T356 WeakPolarHBondContact CB-OG1 3.48Å; L13-T356 PolarHBondContact N-OG1 3.31Å; L13-T356 VanDerWaalsContact O-CG2 3.25Å; L13-T356 WeakPolarHBondContact O-CG2 3.38Å; L13-T356 PolarHBondContact O-OG1 3.44Å; F203-T356 HydrophobicContact CB-CG2 4.29Å; F203-T356 HydrophobicContact CG-CG2 4.43Å; T354-T356 HydrophobicContact CG2-CG2 3.98Å; T354-T356 PolarHBondContact O-N 2.72Å; T356-F420 HydrophobicContact CG2-CE2 3.79Å; T356-F420 HydrophobicContact CG2-CZ 3.95Å
357C92.8Very high91.3Very high8 Ų820.5 Ų20.55%0.05414%0.137CC..  trans-146.2165.4176.269.20000110.1C200 N201 S204 S368 W370C200-C357 HydrophobicContact CB-CB 3.88Å; C200-C357 WeakPolarHBondContact CB-SG 3.27Å; C200-C357 PolarHBondContact O-N 2.99Å; C200-C357 WeakPolarHBondContact SG-CB 3.48Å; C200-C357 CovalentContact SG-SG 2.05Å; C200-C357 PolarHBondContact SG-SG 3.2Å; N201-C357 PolarHBondContact N-SG 2.92Å; S204-C357 WeakPolarHBondContact CB-O 3.5Å; S204-C357 PolarHBondContact OG-O 3.43Å; C357-S368 WeakPolarHBondContact CB-O 3.28Å; C357-W370 HydrophobicContact CB-CB 4.44Å
358A93.6Very high91.1Very high1 Ų121 Ų211%0.00814%0.141CC..BIsolated β-bridgetrans-135.390.6174.900000108N363 M365 P366 P367 S368A358-N363 HydrophobicContact CB-CB 4.19Å; A358-M365 HydrophobicContact CB-CB 3.95Å; A358-P366 WeakPolarHBondContact CB-O 3.47Å; A358-P367 WeakPolarHBondContact O-CA 3.46Å; A358-S368 PolarHBondContact N-O 2.78Å; A358-S368 PolarHBondContact N-OG 2.94Å; A358-S368 PolarHBondContact O-N 3.29Å
359S85Confident91Very high57 Ų5727.8 Ų27.840%0.39918%0.177SC..  trans-91.6124.3-174.560.90000111.9N201 N363N201-S359 PolarHBondContact ND2-OG 3.35Å; N201-S359 PolarHBondContact OD1-N 3.14Å; N201-S359 PolarHBondContact OD1-OG 2.95Å; S359-N363 PolarHBondContact N-ND2 3.29Å; S359-N363 PolarHBondContact O-ND2 3.46Å
360G76.4Confident90.8Very high43 Ų4330.4 Ų30.444%0.44319%0.187SC..SBendtrans82.5169.817100000115.1V362G360-V362 PolarHBondContact O-N 2.95Å; G360-V362 VanDerWaalsContact O-N 3.15Å
361P81.8Confident90.6Very high118 Ų11832.5 Ų32.577%0.76620%0.199SC*.THydrogen-bonded Turntrans-74.3-2.7-172.632.2-37.4000113.8Q224 N363Q224-P361 PolarHBondContact NE2-O 3.28Å; Q224-P361 VanDerWaalsContact NE2-O 3.14Å; P361-N363 VanDerWaalsContact C-N 3.34Å
362V90.2Very high90.6Very high80 Ų8035 Ų3549%0.48521%0.212SC..THydrogen-bonded Turntrans-75.8-24.4179.8-63.60000112.4M205 T208 Q224 G360M205-V362 HydrophobicContact CE-CG2 4.43Å; M205-V362 HydrophobicContact SD-CG2 3.71Å; T208-V362 WeakPolarHBondContact CG2-O 3.13Å; Q224-V362 VanDerWaalsContact NE2-C 3.3Å; Q224-V362 PolarHBondContact NE2-O 3.45Å; G360-V362 PolarHBondContact O-N 2.95Å; G360-V362 VanDerWaalsContact O-N 3.15Å
363N93.5Very high90.6Very high6 Ų642.2 Ų42.23%0.03224%0.243CC..  trans-78.6140.1-178-77.3-74.5000111.3N201 S204 M205 T208 Q224 A358 S359 P361 M365N201-N363 PolarHBondContact OD1-ND2 3.05Å; S204-N363 VanDerWaalsContact C-OD1 3.23Å; S204-N363 WeakPolarHBondContact CB-OD1 3.42Å; S204-N363 PolarHBondContact O-OD1 3.25Å; M205-N363 PolarHBondContact N-OD1 2.58Å; M205-N363 PolarHBondContact SD-OD1 2.77Å; T208-N363 WeakPolarHBondContact OG1-CA 3.37Å; Q224-N363 WeakPolarHBondContact CG-O 3.31Å; A358-N363 HydrophobicContact CB-CB 4.19Å; S359-N363 PolarHBondContact N-ND2 3.29Å; S359-N363 PolarHBondContact O-ND2 3.46Å; P361-N363 VanDerWaalsContact C-N 3.34Å; N363-M365 VanDerWaalsContact C-N 3.27Å
364I95.4Very high90.5Very high0 Ų044.4 Ų44.40%026%0.257CS..SBendtrans-74.4-20.4166.771.7168.4000112.6I207 T208 F211 V220 I223 Q224 W227I207-I364 HydrophobicContact CG2-CD1 3.51Å; I207-I364 HydrophobicContact CG2-CG1 3.84Å; T208-I364 HydrophobicContact CG2-CG2 4.19Å; T208-I364 PolarHBondContact OG1-N 3.27Å; F211-I364 HydrophobicContact CB-CD1 3.94Å; F211-I364 HydrophobicContact CD1-CD1 3.82Å; F211-I364 HydrophobicContact CD2-CD1 3.31Å; F211-I364 HydrophobicContact CE1-CD1 4.08Å; F211-I364 HydrophobicContact CE2-CD1 3.59Å; F211-I364 HydrophobicContact CG-CD1 3.41Å; F211-I364 VanDerWaalsContact CG-CD1 3.41Å; F211-I364 HydrophobicContact CZ-CD1 3.95Å; V220-I364 HydrophobicContact CB-CG2 4.26Å; V220-I364 HydrophobicContact CG1-CG2 3.83Å; V220-I364 HydrophobicContact CG2-CG2 4.15Å; I223-I364 HydrophobicContact CB-CB 4.5Å; I223-I364 HydrophobicContact CG2-CB 3.92Å; Q224-I364 HydrophobicContact CG-CG2 4.39Å; W227-I364 VanDerWaalsContact CE2-O 3.32Å; W227-I364 WeakPolarHBondContact CZ2-O 3.28Å; W227-I364 PolarHBondContact NE1-O 2.93Å
365M94.3Very high90.5Very high4 Ų444.6 Ų44.62%0.0226%0.257CS..SBendtrans-74.6149.9177-56.1-56.5-8900109.8L13 I207 S264 L267 A358 N363L13-M365 HydrophobicContact CD1-CE 3.47Å; L13-M365 VanDerWaalsContact CD1-CE 3.47Å; L13-M365 HydrophobicContact CD2-CE 3.66Å; L13-M365 HydrophobicContact CG-CE 4.23Å; I207-M365 HydrophobicContact CD1-CE 3.84Å; I207-M365 HydrophobicContact CD1-CG 4.32Å; I207-M365 HydrophobicContact CD1-SD 3.9Å; I207-M365 HydrophobicContact CG2-SD 4.12Å; S264-M365 WeakPolarHBondContact O-CE 3.4Å; L267-M365 HydrophobicContact CB-SD 4.3Å; A358-M365 HydrophobicContact CB-CB 3.95Å; N363-M365 VanDerWaalsContact C-N 3.27Å
366P91.7Very high90.6Very high1 Ų145.6 Ų45.61%0.00627%0.265CS..PPolyproline II helixtrans-62.2145.6177.227.7-35.4000110.6F7 L10 W227 I260 S264 A358 S368F7-P366 HydrophobicContact CE1-CB 4.5Å; L10-P366 HydrophobicContact CD1-CB 4.02Å; L10-P366 HydrophobicContact CD1-CG 3.84Å; L10-P366 HydrophobicContact CD2-CG 4.35Å; W227-P366 HydrophobicContact CD2-CB 3.92Å; W227-P366 HydrophobicContact CD2-CG 4.44Å; W227-P366 HydrophobicContact CE3-CB 4.3Å; W227-P366 HydrophobicContact CG-CB 4Å; I260-P366 HydrophobicContact CG2-CB 4.24Å; I260-P366 HydrophobicContact CG2-CG 4.11Å; S264-P366 VanDerWaalsContact OG-CD 3.25Å; S264-P366 WeakPolarHBondContact OG-CD 3.37Å; S264-P366 WeakPolarHBondContact OG-CG 3.35Å; A358-P366 WeakPolarHBondContact CB-O 3.47Å; P366-S368 PolarHBondContact O-N 3.37Å
367P90.2Very high90.8Very high61 Ų6149.6 Ų49.640%0.39629%0.285SS..PPolyproline II helixtrans-55123.7-178.5-26.434.6000112.2L10 A358L10-P367 WeakPolarHBondContact CD1-O 3.49Å; A358-P367 WeakPolarHBondContact O-CA 3.46Å
368S89.3Confident90.7Very high10 Ų1051.2 Ų51.27%0.0729%0.29CS..BIsolated β-bridgetrans-141.7142.3-178.467.30000111.5C357 A358 P366C357-S368 WeakPolarHBondContact CB-O 3.28Å; A358-S368 PolarHBondContact N-O 2.78Å; A358-S368 PolarHBondContact N-OG 2.94Å; A358-S368 PolarHBondContact O-N 3.29Å; P366-S368 PolarHBondContact O-N 3.37Å
369N90Very high90.7Very high143 Ų14351.1 Ų51.177%0.76529%0.29SS*.  trans-115.3135.4176.2-69.3-40.5000109.2
370W89.5Confident91.2Very high56 Ų5652.6 Ų52.621%0.21229%0.29CS..  trans-78.2123.9169.9169.3-102.2000110.3P12 V353 T354 P355 C357 L372 Y375P12-W370 HydrophobicContact CB-CE3 3.67Å; P12-W370 HydrophobicContact CB-CZ3 3.92Å; P12-W370 HydrophobicContact CG-CE3 3.41Å; P12-W370 VanDerWaalsContact CG-CE3 3.41Å; P12-W370 HydrophobicContact CG-CZ3 3.28Å; V353-W370 HydrophobicContact CG1-CH2 3.65Å; V353-W370 HydrophobicContact CG1-CZ2 3.91Å; T354-W370 VanDerWaalsContact O-CZ3 3.28Å; T354-W370 WeakPolarHBondContact O-CZ3 3.3Å; P355-W370 VanDerWaalsContact CA-CE3 3.47Å; P355-W370 HydrophobicContact CB-CB 4.46Å; P355-W370 HydrophobicContact CB-CD2 3.57Å; P355-W370 HydrophobicContact CB-CE3 4.07Å; P355-W370 HydrophobicContact CB-CG 3.7Å; P355-W370 HydrophobicContact CB-CZ2 4.21Å; P355-W370 HydrophobicContact CG-CZ2 4.44Å; C357-W370 HydrophobicContact CB-CB 4.44Å; W370-L372 HydrophobicContact CZ2-CB 4.39Å; W370-L372 HydrophobicContact CZ2-CD1 4.11Å; W370-Y375 AromaticContact CH2-CD1 3.84Å; W370-Y375 HydrophobicContact CH2-CD1 3.84Å; W370-Y375 HydrophobicContact CH2-CD2 4.12Å; W370-Y375 HydrophobicContact CH2-CE1 4.3Å; W370-Y375 AromaticContact CH2-CG 3.74Å; W370-Y375 HydrophobicContact CH2-CG 3.74Å; W370-Y375 AromaticContact CZ3-CD2 3.98Å; W370-Y375 HydrophobicContact CZ3-CD2 3.98Å; W370-Y375 HydrophobicContact CZ3-CE2 4.42Å; W370-Y375 HydrophobicContact CZ3-CG 4.03Å
371D91.4Very high92Very high73 Ų7356.8 Ų56.839%0.3930%0.303SS..  trans-131.1112.4170.2173.739.2000110.9K373 T374 Y375D371-K373 PolarHBondContact O-N 3.23Å; D371-K373 PolarHBondContact OD1-N 3.46Å; D371-T374 PolarHBondContact O-N 3.19Å; D371-T374 WeakPolarHBondContact OD2-CB 3.47Å; D371-T374 PolarHBondContact OD2-N 2.67Å; D371-T374 PolarHBondContact OD2-OG1 3.37Å; D371-Y375 WeakPolarHBondContact O-CB 3.5Å; D371-Y375 PolarHBondContact O-N 2.91Å
372L93.1Very high92.4Very high60 Ų6057 Ų5731%0.31429%0.288SS..Hα-helixtrans-61.6-32.5-179.9177.659.7000112.3W370 Y375 S376 V389W370-L372 HydrophobicContact CZ2-CB 4.39Å; W370-L372 HydrophobicContact CZ2-CD1 4.11Å; L372-Y375 PolarHBondContact O-N 3.35Å; L372-S376 VanDerWaalsContact O-CB 3.29Å; L372-S376 WeakPolarHBondContact O-CB 3.48Å; L372-S376 PolarHBondContact O-N 3.22Å; L372-S376 PolarHBondContact O-OG 3.1Å; L372-V389 HydrophobicContact CD1-CG1 3.61Å; L372-V389 HydrophobicContact CD2-CG1 4.03Å; L372-V389 HydrophobicContact CD2-CG2 4.22Å; L372-V389 HydrophobicContact CG-CG1 4.49Å
373K94.9Very high92.4Very high151 Ų15154.9 Ų54.966%0.65727%0.272SS*.Hα-helixtrans-67.2-50.6-179.1-178.1-179.1177.7-176.60110.6D371 Y375 S376 I377D371-K373 PolarHBondContact O-N 3.23Å; D371-K373 PolarHBondContact OD1-N 3.46Å; K373-Y375 VanDerWaalsContact C-N 3.34Å; K373-Y375 PolarHBondContact O-N 2.79Å; K373-S376 PolarHBondContact O-N 2.99Å; K373-I377 HydrophobicContact CG-CD1 4.22Å; K373-I377 WeakPolarHBondContact O-CG1 3.36Å; K373-I377 PolarHBondContact O-N 3.21Å
374T91.8Very high92.5Very high46 Ų4655.5 Ų55.528%0.28228%0.28SS..Hα-helixtrans-55.5-48.7173.4-700000111.6F9 D371 S376 I377 Y378F9-T374 HydrophobicContact CD1-CG2 3.37Å; F9-T374 HydrophobicContact CE1-CG2 3.32Å; D371-T374 PolarHBondContact O-N 3.19Å; D371-T374 WeakPolarHBondContact OD2-CB 3.47Å; D371-T374 PolarHBondContact OD2-N 2.67Å; D371-T374 PolarHBondContact OD2-OG1 3.37Å; T374-S376 VanDerWaalsContact C-N 3.32Å; T374-S376 PolarHBondContact O-N 2.97Å; T374-I377 PolarHBondContact O-N 3.44Å; T374-Y378 PolarHBondContact O-N 3.42Å
375Y91.8Very high92.5Very high7 Ų756.4 Ų56.43%0.02729%0.286CS..Hα-helixtrans-60.3-42.2178.5-173.1-100000112.1L11 P12 A348 V353 W370 D371 L372 K373 I377 Y378 C379 P387L11-Y375 HydrophobicContact CD2-CD2 4.3Å; P12-Y375 HydrophobicContact CG-CD2 3.96Å; P12-Y375 HydrophobicContact CG-CE2 4.3Å; A348-Y375 WeakPolarHBondContact CB-OH 3.29Å; A348-Y375 PolarHBondContact O-OH 3.4Å; V353-Y375 HydrophobicContact CG1-CD1 4.15Å; V353-Y375 HydrophobicContact CG1-CE1 3.82Å; W370-Y375 AromaticContact CH2-CD1 3.84Å; W370-Y375 HydrophobicContact CH2-CD1 3.84Å; W370-Y375 HydrophobicContact CH2-CD2 4.12Å; W370-Y375 HydrophobicContact CH2-CE1 4.3Å; W370-Y375 AromaticContact CH2-CG 3.74Å; W370-Y375 HydrophobicContact CH2-CG 3.74Å; W370-Y375 AromaticContact CZ3-CD2 3.98Å; W370-Y375 HydrophobicContact CZ3-CD2 3.98Å; W370-Y375 HydrophobicContact CZ3-CE2 4.42Å; W370-Y375 HydrophobicContact CZ3-CG 4.03Å; D371-Y375 WeakPolarHBondContact O-CB 3.5Å; D371-Y375 PolarHBondContact O-N 2.91Å; L372-Y375 PolarHBondContact O-N 3.35Å; K373-Y375 VanDerWaalsContact C-N 3.34Å; K373-Y375 PolarHBondContact O-N 2.79Å; Y375-I377 PolarHBondContact O-N 3.03Å; Y375-Y378 WeakPolarHBondContact O-CB 3.32Å; Y375-Y378 PolarHBondContact O-N 3.16Å; Y375-C379 PolarHBondContact O-N 2.94Å; Y375-C379 PolarHBondContact O-SG 2.8Å; Y375-C379 VanDerWaalsContact O-SG 3.36Å; Y375-P387 HydrophobicContact CD1-CG 3.86Å; Y375-P387 HydrophobicContact CE1-CG 3.9Å
376S94.7Very high92.5Very high32 Ų3259.8 Ų59.822%0.22431%0.309CS..Hα-helixtrans-64.6-38.2176.7-58.80000112.4L372 K373 T374 C379 Q380L372-S376 VanDerWaalsContact O-CB 3.29Å; L372-S376 WeakPolarHBondContact O-CB 3.48Å; L372-S376 PolarHBondContact O-N 3.22Å; L372-S376 PolarHBondContact O-OG 3.1Å; K373-S376 PolarHBondContact O-N 2.99Å; T374-S376 VanDerWaalsContact C-N 3.32Å; T374-S376 PolarHBondContact O-N 2.97Å; S376-C379 PolarHBondContact O-N 3.29Å; S376-Q380 WeakPolarHBondContact O-CB 3.19Å; S376-Q380 PolarHBondContact O-N 3.31Å
377I95.6Very high92.6Very high85 Ų8560.5 Ų60.544%0.43631%0.314SS..Hα-helixtrans-64.2-42.4175.4-69.5164.8000110.6K373 T374 Y375 Q380 N381K373-I377 HydrophobicContact CG-CD1 4.22Å; K373-I377 WeakPolarHBondContact O-CG1 3.36Å; K373-I377 PolarHBondContact O-N 3.21Å; T374-I377 PolarHBondContact O-N 3.44Å; Y375-I377 PolarHBondContact O-N 3.03Å; I377-Q380 PolarHBondContact O-N 2.9Å; I377-N381 WeakPolarHBondContact O-CB 3.44Å; I377-N381 VanDerWaalsContact O-CG 3.24Å; I377-N381 PolarHBondContact O-N 3.47Å; I377-N381 PolarHBondContact O-ND2 3.35Å
378Y91.1Very high92.9Very high41 Ų4166.3 Ų66.316%0.16133%0.328CS..Hα-helixtrans-56.5-51174.3163.9-98000111.4L11 R20 D345 T374 Y375 Q380 N381 R382L11-Y378 HydrophobicContact CD1-CD2 3.75Å; L11-Y378 HydrophobicContact CD1-CE2 3.63Å; L11-Y378 HydrophobicContact CD1-CG 4.33Å; L11-Y378 HydrophobicContact CD2-CD1 3.88Å; L11-Y378 HydrophobicContact CD2-CD2 4.02Å; L11-Y378 HydrophobicContact CD2-CE1 4.29Å; L11-Y378 HydrophobicContact CD2-CE2 4.4Å; L11-Y378 HydrophobicContact CD2-CG 3.73Å; R20-Y378 PolarHBondContact NH2-OH 3.48Å; D345-Y378 PolarHBondContact OD1-OH 3.25Å; D345-Y378 PolarHBondContact OD2-OH 3.32Å; T374-Y378 PolarHBondContact O-N 3.42Å; Y375-Y378 WeakPolarHBondContact O-CB 3.32Å; Y375-Y378 PolarHBondContact O-N 3.16Å; Y378-Q380 VanDerWaalsContact C-N 3.32Å; Y378-Q380 PolarHBondContact O-N 3.47Å; Y378-N381 PolarHBondContact O-N 3.23Å; Y378-R382 VanDerWaalsContact CZ-CD 3.46Å; Y378-R382 WeakPolarHBondContact O-CB 3.49Å; Y378-R382 PolarHBondContact O-N 2.94Å; Y378-R382 WeakPolarHBondContact OH-CD 3.04Å; Y378-R382 PolarHBondContact OH-NE 3.44Å
379C93.9Very high93.1Very high0 Ų067.5 Ų67.50%034%0.335CS..Hα-helixtrans-62.4-39.2179.7-65.50000112.8C349 Y375 S376 F383 G384 V385 P387C349-C379 WeakPolarHBondContact CA-SG 3.36Å; C349-C379 HydrophobicContact CB-CB 3.59Å; C349-C379 WeakPolarHBondContact CB-SG 3.4Å; C349-C379 WeakPolarHBondContact SG-CA 3.5Å; C349-C379 WeakPolarHBondContact SG-CB 3.37Å; C349-C379 CovalentContact SG-SG 2.04Å; C349-C379 PolarHBondContact SG-SG 2.86Å; Y375-C379 PolarHBondContact O-N 2.94Å; Y375-C379 PolarHBondContact O-SG 2.8Å; Y375-C379 VanDerWaalsContact O-SG 3.36Å; S376-C379 PolarHBondContact O-N 3.29Å; C379-F383 PolarHBondContact O-N 2.91Å; C379-G384 PolarHBondContact O-N 3.24Å; C379-V385 CarbonylContact C-O 3.2Å; C379-V385 HydrophobicContact CB-CG2 4.44Å; C379-V385 WeakPolarHBondContact CB-O 3.44Å; C379-P387 HydrophobicContact CB-CG 4.29Å
380Q95.2Very high93.3Very high88 Ų8866.8 Ų66.841%0.41133%0.327SS..Hα-helixtrans-66.2-41177-175.160.332.300111.6S376 I377 Y378 G384 V385S376-Q380 WeakPolarHBondContact O-CB 3.19Å; S376-Q380 PolarHBondContact O-N 3.31Å; I377-Q380 PolarHBondContact O-N 2.9Å; Y378-Q380 VanDerWaalsContact C-N 3.32Å; Y378-Q380 PolarHBondContact O-N 3.47Å; Q380-G384 WeakPolarHBondContact O-CA 3.43Å; Q380-G384 PolarHBondContact O-N 3.01Å; Q380-V385 WeakPolarHBondContact CA-O 3.32Å; Q380-V385 PolarHBondContact N-O 3.47Å; Q380-V385 VanDerWaalsContact N-O 3.14Å
381N93.3Very high93.5Very high131 Ų13168.4 Ų68.470%0.70133%0.333SS*.Hα-helixtrans-70.7-39.5179.1-72.2-15.6000112.3I377 Y378I377-N381 WeakPolarHBondContact O-CB 3.44Å; I377-N381 VanDerWaalsContact O-CG 3.24Å; I377-N381 PolarHBondContact O-N 3.47Å; I377-N381 PolarHBondContact O-ND2 3.35Å; Y378-N381 PolarHBondContact O-N 3.23Å
382R89Confident93.6Very high123 Ų12365 Ų6546%0.46432%0.315SS..Hα-helixtrans-81.2-42.6-175-171.2171177.192.2-2.8113.3D345 Y378D345-R382 WeakPolarHBondContact OD2-CD 3.43Å; D345-R382 IonicContact OD2-CZ 3.25Å; D345-R382 IonicContact OD2-NE 2.64Å; D345-R382 PolarHBondContact OD2-NE 3.49Å; D345-R382 IonicContact OD2-NH2 3.59Å; D345-R382 PolarHBondContact OD2-NH2 3.28Å; Y378-R382 VanDerWaalsContact CZ-CD 3.46Å; Y378-R382 WeakPolarHBondContact O-CB 3.49Å; Y378-R382 PolarHBondContact O-N 2.94Å; Y378-R382 WeakPolarHBondContact OH-CD 3.04Å; Y378-R382 PolarHBondContact OH-NE 3.44Å
383F91.5Very high93.4Very high35 Ų3568.7 Ų68.715%0.15433%0.329CS..Hα-helixtrans-125.1-8.6-171-58.5-63.1000113.7F127 D345 L346 C349 C379 V385F127-F383 HydrophobicContact CZ-CB 4.41Å; F127-F383 WeakPolarHBondContact CZ-O 3.26Å; D345-F383 HydrophobicContact CB-CE2 4.4Å; D345-F383 HydrophobicContact CB-CZ 4.2Å; D345-F383 WeakPolarHBondContact OD2-CZ 2.98Å; L346-F383 HydrophobicContact CB-CE1 4.3Å; L346-F383 HydrophobicContact CB-CE2 4.35Å; L346-F383 HydrophobicContact CB-CZ 4.15Å; L346-F383 HydrophobicContact CD1-CB 3.86Å; L346-F383 HydrophobicContact CD1-CD1 3.94Å; L346-F383 HydrophobicContact CD1-CD2 4Å; L346-F383 HydrophobicContact CD1-CE1 4.45Å; L346-F383 HydrophobicContact CD1-CG 3.68Å; C349-F383 HydrophobicContact CB-CD2 3.94Å; C349-F383 HydrophobicContact CB-CE2 4.31Å; C379-F383 PolarHBondContact O-N 2.91Å; F383-V385 VanDerWaalsContact C-N 3.26Å; F383-V385 HydrophobicContact CB-CG1 4.48Å; F383-V385 HydrophobicContact CB-CG2 3.94Å; F383-V385 PolarHBondContact O-N 3.44Å
384G94.8Very high93.3Very high19 Ų1966.1 Ų66.120%0.19633%0.326CS..SBendtrans68.726.6-175.800000113.4R124 C379 Q380R124-G384 WeakPolarHBondContact CD-O 3.47Å; R124-G384 PolarHBondContact NH1-O 2.78Å; C379-G384 PolarHBondContact O-N 3.24Å; Q380-G384 WeakPolarHBondContact O-CA 3.43Å; Q380-G384 PolarHBondContact O-N 3.01Å
385V94.8Very high93.5Very high19 Ų1965.5 Ų65.512%0.11532%0.319CS..  trans-122.3152.3178.1-55.40000110.7R124 F127 C349 M350 C379 Q380 F383R124-V385 HydrophobicContact CG-CG1 4.16Å; F127-V385 HydrophobicContact CE2-CG1 3.86Å; F127-V385 HydrophobicContact CZ-CG1 4.21Å; C349-V385 HydrophobicContact CB-CG2 4.07Å; M350-V385 HydrophobicContact CG-CG2 4.05Å; C379-V385 CarbonylContact C-O 3.2Å; C379-V385 HydrophobicContact CB-CG2 4.44Å; C379-V385 WeakPolarHBondContact CB-O 3.44Å; Q380-V385 WeakPolarHBondContact CA-O 3.32Å; Q380-V385 PolarHBondContact N-O 3.47Å; Q380-V385 VanDerWaalsContact N-O 3.14Å; F383-V385 VanDerWaalsContact C-N 3.26Å; F383-V385 HydrophobicContact CB-CG1 4.48Å; F383-V385 HydrophobicContact CB-CG2 3.94Å; F383-V385 PolarHBondContact O-N 3.44Å
386S94.5Very high93.6Very high74 Ų7465.4 Ų65.452%0.51732%0.319SS..  trans-110.5137.5170.5-61.30000109.8
387P95.2Very high93.6Very high17 Ų1767.6 Ų67.611%0.1132%0.322CS..  trans-62.5138.6178.8-16.726.6000112.8C349 V353 Y375 C379 V389C349-P387 WeakPolarHBondContact O-CA 3.31Å; V353-P387 HydrophobicContact CG2-CB 3.47Å; V353-P387 VanDerWaalsContact CG2-CB 3.47Å; Y375-P387 HydrophobicContact CD1-CG 3.86Å; Y375-P387 HydrophobicContact CE1-CG 3.9Å; C379-P387 HydrophobicContact CB-CG 4.29Å; P387-V389 HydrophobicContact CB-CG1 4.33Å; P387-V389 PolarHBondContact O-N 3.18Å
388R95Very high93.4Very high182 Ų18263.9 Ų63.969%0.68730%0.304SS*.  trans-97.870.1178.1-65.4-176.6-179.1174.32110.9M350 E390 W391 P392M350-R388 PolarHBondContact O-N 3.38Å; R388-E390 VanDerWaalsContact C-N 3.25Å; R388-E390 PolarHBondContact O-N 2.67Å; R388-E390 VanDerWaalsContact O-N 3.12Å; R388-W391 HydrophobicContact CB-CB 3.88Å; R388-W391 VanDerWaalsContact O-CB 3.27Å; R388-W391 WeakPolarHBondContact O-CB 3.43Å; R388-W391 PolarHBondContact O-N 2.96Å; R388-P392 WeakPolarHBondContact O-CD 3.45Å
389V94.1Very high93.6Very high35 Ų3566 Ų6621%0.21231%0.314CS..THydrogen-bonded Turntrans-60.2-26.2-169.9-61.80000115.8P195 V353 L372 P387P195-V389 HydrophobicContact CG-CB 4.14Å; P195-V389 HydrophobicContact CG-CG1 4.04Å; V353-V389 HydrophobicContact CB-CG1 4.43Å; V353-V389 HydrophobicContact CG1-CG1 4.15Å; V353-V389 HydrophobicContact CG2-CG1 4.27Å; L372-V389 HydrophobicContact CD1-CG1 3.61Å; L372-V389 HydrophobicContact CD2-CG1 4.03Å; L372-V389 HydrophobicContact CD2-CG2 4.22Å; L372-V389 HydrophobicContact CG-CG1 4.49Å; P387-V389 HydrophobicContact CB-CG1 4.33Å; P387-V389 PolarHBondContact O-N 3.18Å
390E93.5Very high93.5Very high129 Ų12969.8 Ų69.860%0.60334%0.341SS*.THydrogen-bonded Turntrans-85.3-13.5177.4-64.8-59.6135.100113.3R388 K393R388-E390 VanDerWaalsContact C-N 3.25Å; R388-E390 PolarHBondContact O-N 2.67Å; R388-E390 VanDerWaalsContact O-N 3.12Å; E390-K393 WeakPolarHBondContact O-CB 3.27Å; E390-K393 PolarHBondContact O-N 3.47Å
391W95.1Very high93.5Very high90 Ų9065.8 Ų65.834%0.34132%0.323SS..Hα-helixtrans-64.3-45.5-174.8179.2-114.1000113.6E133 R388 K393 V394 E395E133-W391 VanDerWaalsContact OE1-CE2 3.31Å; E133-W391 WeakPolarHBondContact OE1-CZ2 3.49Å; E133-W391 PolarHBondContact OE1-NE1 3.04Å; R388-W391 HydrophobicContact CB-CB 3.88Å; R388-W391 VanDerWaalsContact O-CB 3.27Å; R388-W391 WeakPolarHBondContact O-CB 3.43Å; R388-W391 PolarHBondContact O-N 2.96Å; W391-K393 PolarHBondContact O-N 3.05Å; W391-K393 VanDerWaalsContact O-N 3.11Å; W391-V394 HydrophobicContact CE3-CB 4.46Å; W391-V394 HydrophobicContact CZ3-CG1 4.37Å; W391-V394 PolarHBondContact O-N 3.37Å; W391-E395 HydrophobicContact CD2-CB 4.25Å; W391-E395 HydrophobicContact CH2-CB 4.45Å; W391-E395 HydrophobicContact CZ2-CB 3.81Å; W391-E395 HydrophobicContact CZ2-CG 4Å; W391-E395 PolarHBondContact O-N 2.87Å
392P91.9Very high93.6Very high1 Ų166.7 Ų66.71%0.00632%0.317CS..Hα-helixtrans-55.3-31.4177.3-30.638.6000114.7F194 E351 R388 V394 F396 W397F194-P392 HydrophobicContact CB-CB 4.11Å; F194-P392 HydrophobicContact CB-CG 4.35Å; F194-P392 HydrophobicContact CD1-CB 3.48Å; F194-P392 VanDerWaalsContact CD1-CB 3.48Å; F194-P392 HydrophobicContact CD1-CG 3.25Å; F194-P392 HydrophobicContact CD2-CB 3.55Å; F194-P392 HydrophobicContact CD2-CG 4.3Å; F194-P392 HydrophobicContact CE1-CB 3.63Å; F194-P392 HydrophobicContact CE1-CG 3.42Å; F194-P392 VanDerWaalsContact CE1-CG 3.42Å; F194-P392 HydrophobicContact CE2-CB 3.72Å; F194-P392 HydrophobicContact CE2-CG 4.45Å; F194-P392 HydrophobicContact CG-CB 3.42Å; F194-P392 VanDerWaalsContact CG-CB 3.42Å; F194-P392 HydrophobicContact CG-CG 3.72Å; F194-P392 HydrophobicContact CZ-CB 3.75Å; F194-P392 HydrophobicContact CZ-CG 4.04Å; E351-P392 WeakPolarHBondContact O-CG 3.34Å; R388-P392 WeakPolarHBondContact O-CD 3.45Å; P392-V394 VanDerWaalsContact C-N 3.29Å; P392-V394 PolarHBondContact O-N 3.17Å; P392-F396 HydrophobicContact CB-CD2 3.9Å; P392-F396 HydrophobicContact CG-CD2 4.47Å; P392-F396 CarbonylContact O-C 3.07Å; P392-F396 WeakPolarHBondContact O-CA 3.47Å; P392-F396 WeakPolarHBondContact O-CB 3.26Å; P392-F396 PolarHBondContact O-N 3.37Å; P392-W397 PolarHBondContact O-N 3.12Å
393K90.5Very high93.9Very high137 Ų13764.2 Ų64.260%0.59632%0.316SS*.Hα-helixtrans-64.6-33.8176.8-177.3-178.1174.4-176.70113.2E390 W391 S398E390-K393 WeakPolarHBondContact O-CB 3.27Å; E390-K393 PolarHBondContact O-N 3.47Å; W391-K393 PolarHBondContact O-N 3.05Å; W391-K393 VanDerWaalsContact O-N 3.11Å; K393-S398 WeakPolarHBondContact CA-OG 3.46Å
394V93.1Very high94.1Very high98 Ų9862.8 Ų62.859%0.59431%0.31SS*.Hα-helixtrans-83.5-53177.1-178.80000109.5W391 P392W391-V394 HydrophobicContact CE3-CB 4.46Å; W391-V394 HydrophobicContact CZ3-CG1 4.37Å; W391-V394 PolarHBondContact O-N 3.37Å; P392-V394 VanDerWaalsContact C-N 3.29Å; P392-V394 PolarHBondContact O-N 3.17Å
395E95Very high94.2Very high33 Ų3364.5 Ų64.515%0.15432%0.317CS..Hα-helixtrans-77.4-43.3-167.5-175.959-155.400113.1E133 K176 W391E133-E395 HydrophobicContact CG-CG 3.81Å; E133-E395 WeakPolarHBondContact CG-OE1 3.49Å; E133-E395 WeakPolarHBondContact OE1-CG 3.44Å; K176-E395 WeakPolarHBondContact CE-O 3.45Å; K176-E395 VanDerWaalsContact CE-OE1 3.27Å; K176-E395 WeakPolarHBondContact CE-OE1 3.37Å; K176-E395 PolarHBondContact NZ-O 3.04Å; K176-E395 IonicContact NZ-OE1 3.22Å; K176-E395 PolarHBondContact NZ-OE1 2.85Å; K176-E395 IonicContact NZ-OE2 3.1Å; K176-E395 PolarHBondContact NZ-OE2 3.15Å; W391-E395 HydrophobicContact CD2-CB 4.25Å; W391-E395 HydrophobicContact CH2-CB 4.45Å; W391-E395 HydrophobicContact CZ2-CB 3.81Å; W391-E395 HydrophobicContact CZ2-CG 4Å; W391-E395 PolarHBondContact O-N 2.87Å
396F94.9Very high94.4Very high5 Ų564.9 Ų64.92%0.02232%0.318CS..SBendtrans-105.410.7-173.1-52.9-50000113.7A132 W172 F194 M352 P392 S398A132-F396 HydrophobicContact CB-CE1 4.04Å; A132-F396 HydrophobicContact CB-CZ 3.74Å; W172-F396 HydrophobicContact CD2-CB 4.49Å; W172-F396 AromaticContact CD2-CD1 3.54Å; W172-F396 HydrophobicContact CD2-CD1 3.54Å; W172-F396 AromaticContact CD2-CE1 4Å; W172-F396 HydrophobicContact CD2-CE1 4Å; W172-F396 HydrophobicContact CD2-CG 4.05Å; W172-F396 AromaticContact CE2-CD1 3.59Å; W172-F396 AromaticContact CE2-CG 3.58Å; W172-F396 AromaticContact CE3-CD1 3.87Å; W172-F396 HydrophobicContact CE3-CD1 3.87Å; W172-F396 AromaticContact CE3-CE1 3.83Å; W172-F396 HydrophobicContact CE3-CE1 3.83Å; W172-F396 HydrophobicContact CE3-CZ 4.43Å; W172-F396 AromaticContact CG-CD1 3.87Å; W172-F396 HydrophobicContact CG-CD1 3.87Å; W172-F396 HydrophobicContact CH2-CD1 4.23Å; W172-F396 AromaticContact CH2-CD2 3.99Å; W172-F396 HydrophobicContact CH2-CD2 3.99Å; W172-F396 HydrophobicContact CH2-CE1 4.32Å; W172-F396 HydrophobicContact CH2-CE2 4.1Å; W172-F396 HydrophobicContact CH2-CG 4.1Å; W172-F396 HydrophobicContact CH2-CZ 4.29Å; W172-F396 HydrophobicContact CZ2-CB 3.92Å; W172-F396 AromaticContact CZ2-CD1 3.94Å; W172-F396 HydrophobicContact CZ2-CD1 3.94Å; W172-F396 AromaticContact CZ2-CD2 3.8Å; W172-F396 HydrophobicContact CZ2-CD2 3.8Å; W172-F396 HydrophobicContact CZ2-CE1 4.48Å; W172-F396 HydrophobicContact CZ2-CE2 4.37Å; W172-F396 AromaticContact CZ2-CG 3.6Å; W172-F396 HydrophobicContact CZ2-CG 3.6Å; W172-F396 HydrophobicContact CZ3-CD1 4.2Å; W172-F396 HydrophobicContact CZ3-CE1 4Å; W172-F396 HydrophobicContact CZ3-CE2 4.42Å; W172-F396 HydrophobicContact CZ3-CZ 4.15Å; W172-F396 AromaticContact NE1-CD1 3.98Å; W172-F396 AromaticContact NE1-CG 3.9Å; F194-F396 HydrophobicContact CE2-CD2 4.19Å; F194-F396 AromaticContact CZ-CD2 3.79Å; F194-F396 HydrophobicContact CZ-CD2 3.79Å; F194-F396 HydrophobicContact CZ-CE2 4.3Å; M352-F396 HydrophobicContact CE-CE2 4.15Å; M352-F396 HydrophobicContact CE-CZ 4.3Å; P392-F396 HydrophobicContact CB-CD2 3.9Å; P392-F396 HydrophobicContact CG-CD2 4.47Å; P392-F396 CarbonylContact O-C 3.07Å; P392-F396 WeakPolarHBondContact O-CA 3.47Å; P392-F396 WeakPolarHBondContact O-CB 3.26Å; P392-F396 PolarHBondContact O-N 3.37Å; F396-S398 PolarHBondContact O-N 3.13Å
397W94.4Very high94.6Very high77 Ų7761.4 Ų61.429%0.29229%0.294SS..  trans65.3-4.3174.6-50.5-10.6000116.1Q175 P392 K399 S400 V401 V404Q175-W397 HydrophobicContact CB-CE3 4.38Å; Q175-W397 HydrophobicContact CB-CH2 3.74Å; Q175-W397 HydrophobicContact CB-CZ2 4.18Å; Q175-W397 HydrophobicContact CB-CZ3 3.86Å; Q175-W397 HydrophobicContact CG-CE3 4.11Å; Q175-W397 HydrophobicContact CG-CH2 4.18Å; Q175-W397 HydrophobicContact CG-CZ3 3.77Å; P392-W397 PolarHBondContact O-N 3.12Å; W397-K399 PolarHBondContact O-N 3.34Å; W397-K399 VanDerWaalsContact O-N 3.1Å; W397-S400 WeakPolarHBondContact O-CA 3.39Å; W397-S400 VanDerWaalsContact O-CB 3.31Å; W397-S400 WeakPolarHBondContact O-CB 3.45Å; W397-S400 PolarHBondContact O-N 2.91Å; W397-V401 HydrophobicContact CB-CG1 4.24Å; W397-V404 HydrophobicContact CE3-CG1 4.01Å; W397-V404 HydrophobicContact CZ3-CG1 3.88Å
398S91.4Very high94.7Very high8 Ų860.6 Ų60.66%0.05629%0.288CS..THydrogen-bonded Turntrans41.5-114.2-179.2-710000113.2W192 L197 K393 F396 V401W192-S398 PolarHBondContact NE1-O 2.9Å; L197-S398 VanDerWaalsContact CD1-OG 3.31Å; L197-S398 WeakPolarHBondContact CD1-OG 3.49Å; K393-S398 WeakPolarHBondContact CA-OG 3.46Å; F396-S398 PolarHBondContact O-N 3.13Å; S398-V401 WeakPolarHBondContact O-CG1 3.45Å
399K93.8Very high94.9Very high85 Ų8552 Ų5237%0.3726%0.256SS..THydrogen-bonded Turntrans-86.3-7.3-178.9-65-84.4169.1171.40113.1W192 L197 W397 V401W192-K399 HydrophobicContact CD2-CD 3.84Å; W192-K399 HydrophobicContact CE3-CD 4.28Å; W192-K399 HydrophobicContact CG-CD 4.3Å; W192-K399 HydrophobicContact CH2-CD 3.98Å; W192-K399 HydrophobicContact CZ2-CD 3.59Å; W192-K399 HydrophobicContact CZ3-CD 4.32Å; L197-K399 HydrophobicContact CD2-CG 4.17Å; L197-K399 WeakPolarHBondContact O-CE 3.5Å; L197-K399 PolarHBondContact O-NZ 3.44Å; W397-K399 PolarHBondContact O-N 3.34Å; W397-K399 VanDerWaalsContact O-N 3.1Å; K399-V401 PolarHBondContact O-N 3.16Å
400S93.4Very high95.2Very high80 Ų8050.3 Ų50.356%0.55925%0.246SC*.  trans-85.443-177.3-58.20000112.7W397W397-S400 WeakPolarHBondContact O-CA 3.39Å; W397-S400 VanDerWaalsContact O-CB 3.31Å; W397-S400 WeakPolarHBondContact O-CB 3.45Å; W397-S400 PolarHBondContact O-N 2.91Å
401V94.4Very high95.4Very high4 Ų444.2 Ų44.22%0.02422%0.217CC..  trans-98.613.1-173.1-69.30000113.6W192 W397 S398 K399 T403 V404 I422 V428W192-V401 HydrophobicContact CZ2-CG2 4.24Å; W397-V401 HydrophobicContact CB-CG1 4.24Å; S398-V401 WeakPolarHBondContact O-CG1 3.45Å; K399-V401 PolarHBondContact O-N 3.16Å; V401-T403 PolarHBondContact O-N 3.47Å; V401-T403 VanDerWaalsContact O-N 3.07Å; V401-V404 HydrophobicContact CB-CG1 3.83Å; V401-V404 HydrophobicContact CB-CG2 4.45Å; V401-V404 HydrophobicContact CG1-CG1 4.2Å; V401-V404 VanDerWaalsContact O-CG1 3.29Å; V401-V404 WeakPolarHBondContact O-CG1 3.46Å; V401-V404 WeakPolarHBondContact O-CG2 3.49Å; V401-V404 PolarHBondContact O-N 3.25Å; V401-V404 VanDerWaalsContact O-N 3.1Å; V401-I422 HydrophobicContact CG2-CD1 3.83Å; V401-V428 HydrophobicContact CB-CG1 4.21Å; V401-V428 HydrophobicContact CG2-CG1 3.67Å
402Y94.8Very high95.6Very high149 Ų14939.9 Ų39.958%0.58420%0.201SC*.THydrogen-bonded Turntrans-63.1-17.5-176.568.2-84.7000114.6F430Y402-F430 WeakPolarHBondContact O-CD2 3.4Å
403T95Very high95.8Very high71 Ų7145 Ų4544%0.43622%0.224SC..THydrogen-bonded Turntrans-96.5-2.4178.956.50000113.9V401V401-T403 PolarHBondContact O-N 3.47Å; V401-T403 VanDerWaalsContact O-N 3.07Å
404V96.4Very high96.1Very high5 Ų538.9 Ų38.93%0.0320%0.199CC..  trans-67.5141.1-177.6-55.50000110.4Q175 W397 V401 I407 F409 V428 F430 A431Q175-V404 HydrophobicContact CG-CG1 3.89Å; W397-V404 HydrophobicContact CE3-CG1 4.01Å; W397-V404 HydrophobicContact CZ3-CG1 3.88Å; V401-V404 HydrophobicContact CB-CG1 3.83Å; V401-V404 HydrophobicContact CB-CG2 4.45Å; V401-V404 HydrophobicContact CG1-CG1 4.2Å; V401-V404 VanDerWaalsContact O-CG1 3.29Å; V401-V404 WeakPolarHBondContact O-CG1 3.46Å; V401-V404 WeakPolarHBondContact O-CG2 3.49Å; V401-V404 PolarHBondContact O-N 3.25Å; V401-V404 VanDerWaalsContact O-N 3.1Å; V404-I407 HydrophobicContact CB-CD1 4.1Å; V404-I407 HydrophobicContact CG2-CD1 4.46Å; V404-F409 HydrophobicContact CG2-CE2 4.33Å; V404-V428 HydrophobicContact CG2-CB 4.16Å; V404-V428 HydrophobicContact CG2-CG1 3.81Å; V404-F430 CarbonylContact O-C 3.07Å; V404-F430 WeakPolarHBondContact O-CB 3.32Å; V404-A431 HydrophobicContact CG2-CB 3.97Å
405T97.4Very high96.4Very high56 Ų5634.2 Ų34.234%0.34417%0.17SC..  trans-132.7150.1-176.459.40000110.9R174 I407 F430R174-T405 PolarHBondContact NE-O 3.33Å; R174-T405 PolarHBondContact NH2-OG1 3.47Å; T405-I407 VanDerWaalsContact C-N 3.28Å; T405-I407 PolarHBondContact O-N 3.18Å; T405-F430 HydrophobicContact CG2-CB 3.95Å
406N98.2Very high96.4Very high26 Ų2632.7 Ų32.714%0.13916%0.163CC..SBendtrans56.741.6175.8-58.56.3000112.6A182 G183 A184 W470 E473A182-N406 WeakPolarHBondContact O-CB 3.47Å; A182-N406 PolarHBondContact O-ND2 3.09Å; A182-N406 VanDerWaalsContact O-ND2 3.1Å; G183-N406 CarbonylContact C-O 3.44Å; G183-N406 WeakPolarHBondContact CA-O 3.27Å; A184-N406 PolarHBondContact N-O 3.16Å; N406-W470 VanDerWaalsContact C-CZ2 3.42Å; N406-W470 HydrophobicContact CB-CD2 4.04Å; N406-W470 HydrophobicContact CB-CG 4.11Å; N406-W470 HydrophobicContact CB-CZ2 4.17Å; N406-E473 PolarHBondContact ND2-OE2 2.97Å
407I98.7Very high96.5Very high1 Ų132.7 Ų32.71%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-122136.4171.4-55.2175.9000107.5A171 R174 Q175 A184 A186 V404 T405 F409 A431 T432A171-I407 HydrophobicContact CB-CD1 4.39Å; A171-I407 HydrophobicContact CB-CG2 4.41Å; R174-I407 HydrophobicContact CB-CD1 4.23Å; R174-I407 HydrophobicContact CB-CG1 4.14Å; R174-I407 HydrophobicContact CG-CD1 4.01Å; R174-I407 HydrophobicContact CG-CG1 3.64Å; Q175-I407 HydrophobicContact CG-CD1 4.08Å; A184-I407 HydrophobicContact CB-CG1 4.38Å; A184-I407 HydrophobicContact CB-CG2 4.47Å; A184-I407 CarbonylContact O-C 3.56Å; A184-I407 WeakPolarHBondContact O-CA 3.34Å; A186-I407 HydrophobicContact CB-CG2 4.09Å; V404-I407 HydrophobicContact CB-CD1 4.1Å; V404-I407 HydrophobicContact CG2-CD1 4.46Å; T405-I407 VanDerWaalsContact C-N 3.28Å; T405-I407 PolarHBondContact O-N 3.18Å; I407-F409 HydrophobicContact CB-CE2 3.98Å; I407-F409 HydrophobicContact CB-CZ 4.31Å; I407-F409 HydrophobicContact CD1-CZ 4.35Å; I407-F409 HydrophobicContact CG2-CD1 4.4Å; I407-F409 HydrophobicContact CG2-CD2 3.96Å; I407-F409 HydrophobicContact CG2-CE1 4.03Å; 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 3.25Å; I407-T432 PolarHBondContact O-N 2.76Å
408I98.8Very high96.7Very high0 Ų029.8 Ų29.80%015%0.154CC..EExtended strand (participates in β ladder)trans-101.6128.6161.7-73.6160.1000108.1A184 I185 A186 T432 I434 E463 K466 W470A184-I408 PolarHBondContact O-N 2.89Å; I185-I408 HydrophobicContact CD1-CB 3.93Å; I185-I408 HydrophobicContact CD1-CD1 3.49Å; I185-I408 VanDerWaalsContact CD1-CD1 3.49Å; I185-I408 HydrophobicContact CD1-CG1 4.2Å; A186-I408 WeakPolarHBondContact CA-O 3.4Å; A186-I408 WeakPolarHBondContact CB-O 2.88Å; A186-I408 PolarHBondContact N-O 3.36Å; I408-T432 CarbonylContact C-O 3.44Å; I408-T432 VanDerWaalsContact CA-O 3.25Å; I408-T432 WeakPolarHBondContact CA-O 3.36Å; I408-T432 HydrophobicContact CG1-CG2 4.31Å; I408-I434 HydrophobicContact CG2-CD1 3.81Å; I408-I434 HydrophobicContact CG2-CG1 4.16Å; I408-E463 HydrophobicContact CD1-CB 4.27Å; I408-E463 HydrophobicContact CD1-CG 3.94Å; I408-E463 HydrophobicContact CG2-CG 4.27Å; I408-K466 HydrophobicContact CD1-CB 3.63Å; I408-K466 HydrophobicContact CD1-CG 3.83Å; I408-K466 HydrophobicContact CG1-CG 4.49Å; I408-W470 HydrophobicContact CB-CH2 4.47Å; I408-W470 HydrophobicContact CD1-CH2 3.81Å; I408-W470 HydrophobicContact CD1-CZ2 4.33Å; I408-W470 HydrophobicContact CG1-CH2 3.86Å; I408-W470 HydrophobicContact CG1-CZ2 4.24Å
409F98.7Very high96.9Very high1 Ų130.8 Ų30.80%0.00416%0.163CC..EExtended strand (participates in β ladder)trans-104.296.9166.3-63.2-83.6000107.7A171 A186 V191 V404 I407 I422 V428 A431 T432 V433 I434A171-F409 HydrophobicContact CB-CE1 3.83Å; A171-F409 HydrophobicContact CB-CZ 4.14Å; A186-F409 HydrophobicContact CB-CD1 3.94Å; A186-F409 HydrophobicContact CB-CE1 4.12Å; A186-F409 WeakPolarHBondContact O-CA 3.12Å; V191-F409 HydrophobicContact CG1-CE1 4.25Å; V191-F409 HydrophobicContact CG2-CE1 4.3Å; V404-F409 HydrophobicContact CG2-CE2 4.33Å; I407-F409 HydrophobicContact CB-CE2 3.98Å; I407-F409 HydrophobicContact CB-CZ 4.31Å; I407-F409 HydrophobicContact CD1-CZ 4.35Å; I407-F409 HydrophobicContact CG2-CD1 4.4Å; I407-F409 HydrophobicContact CG2-CD2 3.96Å; I407-F409 HydrophobicContact CG2-CE1 4.03Å; 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 4.39Å; F409-I422 HydrophobicContact CD1-CB 4.5Å; F409-I422 HydrophobicContact CD1-CD1 4.26Å; F409-I422 HydrophobicContact CD2-CD1 4.2Å; F409-I422 HydrophobicContact CE1-CD1 3.98Å; F409-I422 HydrophobicContact CE2-CD1 3.91Å; F409-I422 HydrophobicContact CG-CB 4.22Å; F409-I422 HydrophobicContact CG-CD1 4.36Å; F409-I422 HydrophobicContact CZ-CD1 3.79Å; F409-V428 HydrophobicContact CD2-CG2 4.44Å; F409-V428 HydrophobicContact CE2-CG1 4.28Å; F409-A431 HydrophobicContact CD2-CB 4.45Å; F409-A431 HydrophobicContact CE2-CB 4.29Å; F409-T432 PolarHBondContact N-O 2.62Å; F409-V433 HydrophobicContact CB-CG2 4.47Å; F409-V433 WeakPolarHBondContact O-CA 3.34Å; F409-I434 PolarHBondContact O-N 3.25Å
410S98.8Very high97.1Very high0 Ų026.9 Ų26.90%015%0.146CC..EExtended strand (participates in β ladder)trans-93139.9176.152.20000109.7A186 S187 S188 I434 D444A186-S410 PolarHBondContact O-N 3.06Å; S187-S410 VanDerWaalsContact CA-OG 3.27Å; S187-S410 WeakPolarHBondContact CA-OG 3.46Å; S187-S410 WeakPolarHBondContact CB-OG 3.25Å; S187-S410 PolarHBondContact OG-OG 3.17Å; S188-S410 WeakPolarHBondContact CA-O 3.47Å; S188-S410 PolarHBondContact N-O 2.96Å; S410-I434 CarbonylContact C-O 3.6Å; S410-I434 VanDerWaalsContact CA-O 3.25Å; S410-I434 WeakPolarHBondContact CA-O 3.47Å; S410-D444 WeakPolarHBondContact CB-OD2 3.14Å; S410-D444 PolarHBondContact OG-OD2 3.04Å
411N98.7Very high97.3Very high1 Ų123.2 Ų23.21%0.00512%0.121CC..EExtended strand (participates in β ladder)trans-140137.6-178.9-64.3-74.8000110.9S421 I422 I434 N435 M436N411-S421 PolarHBondContact ND2-OG 2.88Å; N411-S421 WeakPolarHBondContact OD1-CB 3.43Å; N411-S421 PolarHBondContact OD1-OG 3.24Å; N411-I422 PolarHBondContact ND2-O 3.33Å; N411-I434 PolarHBondContact N-O 3.17Å; N411-N435 CarbonylContact O-C 3.54Å; N411-N435 WeakPolarHBondContact O-CA 3.43Å; N411-M436 PolarHBondContact O-N 3.33Å
412G98.5Very high97.4Very high0 Ų023 Ų230%012%0.12CC..EExtended strand (participates in β ladder)trans-77.8131.9165.700000111.4I414 D415 S418 A439G412-I414 PolarHBondContact O-N 2.82Å; G412-D415 WeakPolarHBondContact O-CB 3.23Å; G412-D415 PolarHBondContact O-N 3.13Å; G412-S418 WeakPolarHBondContact O-CB 3.28Å; G412-A439 CarbonylContact C-O 3.56Å; G412-A439 WeakPolarHBondContact CA-O 3.35Å
413E97.3Very high97.5Very high107 Ų10718.7 Ų18.750%0.511%0.108SC..THydrogen-bonded Turntrans-66-24.4179.7-74.5-174.8170.800113.5N435 M436 S437 A439E413-N435 HydrophobicContact CG-CB 4.45Å; E413-M436 PolarHBondContact N-O 3.12Å; E413-S437 VanDerWaalsContact OE2-CA 3.32Å; E413-S437 WeakPolarHBondContact OE2-CA 3.39Å; E413-S437 WeakPolarHBondContact OE2-CB 3.13Å; E413-A439 PolarHBondContact N-O 2.92Å
414I97Very high97.6Very high10 Ų1019.1 Ų19.15%0.05111%0.108CC..THydrogen-bonded Turntrans-102.61.3179.564.4161.1000111.9Y214 N274 W288 G412 A439 A440Y214-I414 HydrophobicContact CE2-CB 4.37Å; Y214-I414 HydrophobicContact CE2-CD1 3.63Å; Y214-I414 HydrophobicContact CE2-CG2 3.87Å; N274-I414 HydrophobicContact CB-CD1 4.13Å; W288-I414 HydrophobicContact CZ3-CD1 3.99Å; G412-I414 PolarHBondContact O-N 2.82Å; I414-A439 WeakPolarHBondContact CG1-O 3.33Å; I414-A439 PolarHBondContact N-O 2.97Å; I414-A440 HydrophobicContact CD1-CB 4.12Å; I414-A440 HydrophobicContact CG1-CB 4.18Å
415D97.7Very high97.5Very high0 Ų022.8 Ų22.80%013%0.128CC..  trans-75.7120171.1174.716.2000109.9S188 T206 G412 W417 S418 H441S188-D415 VanDerWaalsContact CB-OD2 3.26Å; S188-D415 WeakPolarHBondContact CB-OD2 3.43Å; S188-D415 PolarHBondContact OG-OD2 3.39Å; T206-D415 WeakPolarHBondContact CG2-O 3.28Å; G412-D415 WeakPolarHBondContact O-CB 3.23Å; G412-D415 PolarHBondContact O-N 3.13Å; D415-W417 PolarHBondContact O-N 2.86Å; D415-W417 PolarHBondContact OD1-N 2.6Å; D415-S418 VanDerWaalsContact O-CB 3.26Å; D415-S418 WeakPolarHBondContact O-CB 3.48Å; D415-S418 PolarHBondContact O-N 3.41Å; D415-S418 PolarHBondContact O-OG 3.37Å; D415-H441 IonicContact OD1-CG 3.67Å; D415-H441 IonicContact OD1-ND1 2.66Å; D415-H441 PolarHBondContact OD1-ND1 2.74Å; D415-H441 VanDerWaalsContact OD1-ND1 3.13Å; D415-H441 IonicContact OD2-CE1 3.09Å; D415-H441 IonicContact OD2-CG 3.92Å; D415-H441 IonicContact OD2-ND1 3.13Å; D415-H441 PolarHBondContact OD2-ND1 3.03Å
416P96.9Very high97.5Very high0 Ų024 Ų240%014%0.139CC..G310 helixtrans-63.2-23179.428.9-36.4000114.2F203 T206 I207 M272 S418 A419F203-P416 HydrophobicContact CD1-CB 4.48Å; F203-P416 HydrophobicContact CD2-CB 3.65Å; F203-P416 HydrophobicContact CD2-CG 4.28Å; F203-P416 HydrophobicContact CE1-CB 4.44Å; F203-P416 HydrophobicContact CE2-CB 3.57Å; F203-P416 HydrophobicContact CE2-CG 3.68Å; F203-P416 HydrophobicContact CG-CB 4.11Å; F203-P416 HydrophobicContact CZ-CB 3.99Å; F203-P416 HydrophobicContact CZ-CG 3.92Å; T206-P416 HydrophobicContact CG2-CB 4.38Å; I207-P416 HydrophobicContact CD1-CB 4.35Å; I207-P416 HydrophobicContact CG1-CB 3.62Å; I207-P416 HydrophobicContact CG1-CG 4.01Å; M272-P416 HydrophobicContact CB-CG 4.41Å; P416-S418 VanDerWaalsContact C-N 3.25Å; P416-S418 PolarHBondContact O-N 3.35Å; P416-A419 WeakPolarHBondContact O-CB 3.43Å; P416-A419 PolarHBondContact O-N 3.28Å
417W97Very high97.4Very high5 Ų528.1 Ų28.12%0.01915%0.153CC..G310 helixtrans-71.5-16.6174.9-68.1107.9000114.1F15 L18 P190 F203 M272 T354 D415 A419 F420 H441F15-W417 HydrophobicContact CB-CH2 4.24Å; F15-W417 HydrophobicContact CB-CZ2 3.88Å; F15-W417 AromaticContact CD2-CE2 3.77Å; F15-W417 AromaticContact CD2-CZ2 3.61Å; F15-W417 HydrophobicContact CD2-CZ2 3.61Å; F15-W417 AromaticContact CD2-NE1 3.67Å; F15-W417 AromaticContact CE2-NE1 3.95Å; F15-W417 HydrophobicContact CG-CZ2 4.25Å; L18-W417 HydrophobicContact CD1-CZ2 4.43Å; P190-W417 HydrophobicContact CB-CB 4.4Å; P190-W417 HydrophobicContact CB-CE3 3.88Å; P190-W417 HydrophobicContact CG-CD2 4.39Å; P190-W417 HydrophobicContact CG-CE3 3.88Å; F203-W417 HydrophobicContact CD2-CD2 4.19Å; F203-W417 HydrophobicContact CD2-CE3 4.27Å; F203-W417 HydrophobicContact CD2-CZ2 4.48Å; F203-W417 HydrophobicContact CD2-CZ3 4.47Å; F203-W417 AromaticContact CE2-CD2 3.8Å; F203-W417 HydrophobicContact CE2-CD2 3.8Å; F203-W417 AromaticContact CE2-CE2 3.52Å; F203-W417 HydrophobicContact CE2-CE3 4.28Å; F203-W417 HydrophobicContact CE2-CG 4.21Å; F203-W417 HydrophobicContact CE2-CH2 4.22Å; F203-W417 AromaticContact CE2-CZ2 3.74Å; F203-W417 HydrophobicContact CE2-CZ2 3.74Å; F203-W417 HydrophobicContact CE2-CZ3 4.48Å; F203-W417 AromaticContact CE2-NE1 3.81Å; F203-W417 HydrophobicContact CZ-CZ2 4.29Å; M272-W417 PolarHBondContact SD-NE1 3.33Å; T354-W417 HydrophobicContact CG2-CH2 4.46Å; T354-W417 HydrophobicContact CG2-CZ3 4.12Å; D415-W417 PolarHBondContact O-N 2.86Å; D415-W417 PolarHBondContact OD1-N 2.6Å; W417-A419 PolarHBondContact O-N 3.19Å; W417-A419 VanDerWaalsContact O-N 3.16Å; W417-F420 AromaticContact CE3-CD2 3.74Å; W417-F420 HydrophobicContact CE3-CD2 3.74Å; W417-F420 HydrophobicContact CE3-CE2 4.33Å; W417-F420 AromaticContact CZ3-CD2 3.73Å; W417-F420 HydrophobicContact CZ3-CD2 3.73Å; W417-F420 HydrophobicContact CZ3-CE2 4.03Å; W417-F420 PolarHBondContact O-N 3.2Å; W417-H441 AromaticContact CD1-CE1 3.43Å; W417-H441 VanDerWaalsContact CD1-CE1 3.43Å; W417-H441 AromaticContact CD1-ND1 3.62Å; W417-H441 AromaticContact CG-CE1 3.88Å
418S97.3Very high97.3Very high16 Ų1628.1 Ų28.111%0.11215%0.153CC..G310 helixtrans-58.8-27.1174.767.40000112.7G412 D415 P416 F420 S421 T423G412-S418 WeakPolarHBondContact O-CB 3.28Å; D415-S418 VanDerWaalsContact O-CB 3.26Å; D415-S418 WeakPolarHBondContact O-CB 3.48Å; D415-S418 PolarHBondContact O-N 3.41Å; D415-S418 PolarHBondContact O-OG 3.37Å; P416-S418 VanDerWaalsContact C-N 3.25Å; P416-S418 PolarHBondContact O-N 3.35Å; S418-F420 PolarHBondContact O-N 3.48Å; S418-F420 VanDerWaalsContact O-N 3.16Å; S418-S421 PolarHBondContact O-N 2.97Å; S418-S421 VanDerWaalsContact O-N 3.13Å; S418-T423 WeakPolarHBondContact O-CG2 3.25Å
419A96.6Very high97.2Very high30 Ų3031.9 Ų31.925%0.24818%0.178CC..G310 helixtrans-60.5-23.5175.100000113.2S198 G202 P416 W417S198-A419 PolarHBondContact OG-O 2.66Å; G202-A419 VanDerWaalsContact C-CB 3.44Å; P416-A419 WeakPolarHBondContact O-CB 3.43Å; P416-A419 PolarHBondContact O-N 3.28Å; W417-A419 PolarHBondContact O-N 3.19Å; W417-A419 VanDerWaalsContact O-N 3.16Å
420F97.1Very high97Very high3 Ų338.2 Ų38.21%0.01321%0.205CC..G310 helixtrans-110.712.7-178.6-56.8-24.3000112.7P190 V191 W192 L193 D199 F203 T354 T356 W417 S418P190-F420 CarbonylContact C-O 3.55Å; P190-F420 WeakPolarHBondContact CA-O 3.21Å; P190-F420 HydrophobicContact CB-CB 3.67Å; V191-F420 PolarHBondContact N-O 3.38Å; W192-F420 CarbonylContact C-O 3.57Å; W192-F420 VanDerWaalsContact CA-O 3.31Å; W192-F420 WeakPolarHBondContact CA-O 3.18Å; W192-F420 WeakPolarHBondContact CB-O 3.44Å; W192-F420 PolarHBondContact N-O 2.94Å; L193-F420 HydrophobicContact CB-CB 4.16Å; L193-F420 HydrophobicContact CB-CD2 4.23Å; L193-F420 HydrophobicContact CB-CG 4.44Å; D199-F420 WeakPolarHBondContact O-CE1 3.32Å; F203-F420 HydrophobicContact CB-CE2 3.89Å; F203-F420 HydrophobicContact CB-CZ 3.7Å; F203-F420 HydrophobicContact CD2-CE2 4.31Å; F203-F420 HydrophobicContact CG-CE2 4.45Å; T354-F420 HydrophobicContact CG2-CD2 4.3Å; T354-F420 HydrophobicContact CG2-CE2 3.96Å; T356-F420 HydrophobicContact CG2-CE2 3.79Å; T356-F420 HydrophobicContact CG2-CZ 3.95Å; W417-F420 AromaticContact CE3-CD2 3.74Å; W417-F420 HydrophobicContact CE3-CD2 3.74Å; W417-F420 HydrophobicContact CE3-CE2 4.33Å; W417-F420 AromaticContact CZ3-CD2 3.73Å; W417-F420 HydrophobicContact CZ3-CD2 3.73Å; W417-F420 HydrophobicContact CZ3-CE2 4.03Å; W417-F420 PolarHBondContact O-N 3.2Å; S418-F420 PolarHBondContact O-N 3.48Å; S418-F420 VanDerWaalsContact O-N 3.16Å
421S97.1Very high97Very high3 Ų338.9 Ų38.92%0.02121%0.21CC..SBendtrans-109.2175.7-178.8-172.40000112.3A189 N411 S418 T423A189-S421 WeakPolarHBondContact O-CB 3.37Å; A189-S421 PolarHBondContact O-OG 3.41Å; A189-S421 VanDerWaalsContact O-OG 3.06Å; N411-S421 PolarHBondContact ND2-OG 2.88Å; N411-S421 WeakPolarHBondContact OD1-CB 3.43Å; N411-S421 PolarHBondContact OD1-OG 3.24Å; S418-S421 PolarHBondContact O-N 2.97Å; S418-S421 VanDerWaalsContact O-N 3.13Å; S421-T423 PolarHBondContact O-N 3.39Å
422I97.6Very high97Very high0 Ų040 Ų400%022%0.218CC..  trans-85.5105.7171.2-53.5-177.4000108.3V191 W192 V401 F409 N411 Y427 V428 V433V191-I422 HydrophobicContact CG2-CD1 3.88Å; V191-I422 HydrophobicContact CG2-CG1 3.66Å; W192-I422 HydrophobicContact CD2-CG1 4.09Å; W192-I422 HydrophobicContact CE3-CG1 4.25Å; W192-I422 HydrophobicContact CH2-CB 4.37Å; W192-I422 HydrophobicContact CH2-CG1 3.91Å; W192-I422 HydrophobicContact CH2-CG2 4.22Å; W192-I422 HydrophobicContact CZ2-CD1 4.03Å; W192-I422 HydrophobicContact CZ2-CG1 3.65Å; W192-I422 HydrophobicContact CZ3-CB 4.5Å; W192-I422 HydrophobicContact CZ3-CG1 4.19Å; V401-I422 HydrophobicContact CG2-CD1 3.83Å; F409-I422 HydrophobicContact CB-CB 4.39Å; F409-I422 HydrophobicContact CD1-CB 4.5Å; F409-I422 HydrophobicContact CD1-CD1 4.26Å; F409-I422 HydrophobicContact CD2-CD1 4.2Å; F409-I422 HydrophobicContact CE1-CD1 3.98Å; F409-I422 HydrophobicContact CE2-CD1 3.91Å; F409-I422 HydrophobicContact CG-CB 4.22Å; F409-I422 HydrophobicContact CG-CD1 4.36Å; F409-I422 HydrophobicContact CZ-CD1 3.79Å; N411-I422 PolarHBondContact ND2-O 3.33Å; I422-Y427 HydrophobicContact CG2-CD2 4.47Å; I422-V428 HydrophobicContact CD1-CG1 3.79Å; I422-V428 HydrophobicContact CG2-CG1 4.19Å; I422-V428 HydrophobicContact CG2-CG2 3.85Å; I422-V433 HydrophobicContact CG2-CG2 3.91Å; I422-V433 VanDerWaalsContact O-CG1 3.29Å; I422-V433 WeakPolarHBondContact O-CG1 3.24Å
423T96.9Very high97Very high57 Ų5740.7 Ų40.735%0.3522%0.222SC..  trans-1091.5-17755.50000113.7S418 S421 N435S418-T423 WeakPolarHBondContact O-CG2 3.25Å; S421-T423 PolarHBondContact O-N 3.39Å; T423-N435 PolarHBondContact O-ND2 2.87Å
424N96.6Very high97Very high80 Ų8036.4 Ų36.443%0.42820%0.202SC..  trans-133.1128.2179.1-167.5-31.2000111.8S426 Y427N424-S426 VanDerWaalsContact CG-OG 3.31Å; N424-S426 PolarHBondContact O-N 2.86Å; N424-S426 VanDerWaalsContact O-N 3.16Å; N424-S426 WeakPolarHBondContact OD1-CB 3.38Å; N424-S426 PolarHBondContact OD1-N 2.88Å; N424-S426 PolarHBondContact OD1-OG 3.31Å; N424-S426 VanDerWaalsContact OD1-OG 3.09Å; N424-Y427 HydrophobicContact CB-CD2 3.74Å; N424-Y427 HydrophobicContact CB-CE2 3.72Å; N424-Y427 WeakPolarHBondContact O-CD2 3.36Å; N424-Y427 PolarHBondContact O-N 2.69Å
425N95.3Very high97.1Very high82 Ų8239.3 Ų39.344%0.43922%0.218SC..G310 helixtrans-58.8-24.1178.1-79.4-37.8000113.7Y427 V428 V433N425-Y427 PolarHBondContact O-N 3.42Å; N425-V428 CarbonylContact O-C 3.38Å; N425-V428 PolarHBondContact O-N 3.09Å; N425-V428 VanDerWaalsContact O-N 3.09Å; N425-V433 WeakPolarHBondContact OD1-CA 3.43Å; N425-V433 WeakPolarHBondContact OD1-CB 3.21Å; N425-V433 WeakPolarHBondContact OD1-CG2 3.37Å; N425-V433 PolarHBondContact OD1-N 2.64Å
426S96.3Very high97.1Very high83 Ų8339.3 Ų39.358%0.5822%0.218SC*.G310 helixtrans-60.4-26.2179.165.80000113.4N424N424-S426 VanDerWaalsContact CG-OG 3.31Å; N424-S426 PolarHBondContact O-N 2.86Å; N424-S426 VanDerWaalsContact O-N 3.16Å; N424-S426 WeakPolarHBondContact OD1-CB 3.38Å; N424-S426 PolarHBondContact OD1-N 2.88Å; N424-S426 PolarHBondContact OD1-OG 3.31Å; N424-S426 VanDerWaalsContact OD1-OG 3.09Å
427Y96.1Very high97.2Very high112 Ų11241.4 Ų41.444%0.43923%0.232SC..G310 helixtrans-79.6-21.5178.3-59.3-59.8000113.5W192 I422 N424 N425W192-Y427 HydrophobicContact CH2-CD1 4.13Å; W192-Y427 AromaticContact CH2-CD2 3.48Å; W192-Y427 HydrophobicContact CH2-CD2 3.48Å; W192-Y427 VanDerWaalsContact CH2-CD2 3.48Å; W192-Y427 AromaticContact CH2-CE2 3.95Å; W192-Y427 HydrophobicContact CH2-CE2 3.95Å; W192-Y427 AromaticContact CH2-CG 3.58Å; W192-Y427 HydrophobicContact CH2-CG 3.58Å; W192-Y427 HydrophobicContact CZ2-CG 4.36Å; W192-Y427 HydrophobicContact CZ3-CD2 4.01Å; W192-Y427 HydrophobicContact CZ3-CE2 4.11Å; I422-Y427 HydrophobicContact CG2-CD2 4.47Å; N424-Y427 HydrophobicContact CB-CD2 3.74Å; N424-Y427 HydrophobicContact CB-CE2 3.72Å; N424-Y427 WeakPolarHBondContact O-CD2 3.36Å; N424-Y427 PolarHBondContact O-N 2.69Å; N425-Y427 PolarHBondContact O-N 3.42Å
428V97Very high97.2Very high0 Ų043.5 Ų43.50%024%0.244CC..  trans-140.165.6-172.2-69.70000111.1V401 V404 F409 I422 N425 F430 A431 V433V401-V428 HydrophobicContact CB-CG1 4.21Å; V401-V428 HydrophobicContact CG2-CG1 3.67Å; V404-V428 HydrophobicContact CG2-CB 4.16Å; V404-V428 HydrophobicContact CG2-CG1 3.81Å; F409-V428 HydrophobicContact CD2-CG2 4.44Å; F409-V428 HydrophobicContact CE2-CG1 4.28Å; I422-V428 HydrophobicContact CD1-CG1 3.79Å; I422-V428 HydrophobicContact CG2-CG1 4.19Å; I422-V428 HydrophobicContact CG2-CG2 3.85Å; N425-V428 CarbonylContact O-C 3.38Å; N425-V428 PolarHBondContact O-N 3.09Å; N425-V428 VanDerWaalsContact O-N 3.09Å; V428-F430 PolarHBondContact O-N 3.09Å; V428-A431 HydrophobicContact CB-CB 3.69Å; V428-A431 HydrophobicContact CG2-CB 3.88Å; V428-A431 PolarHBondContact O-N 2.9Å; V428-V433 HydrophobicContact CG2-CG2 3.58Å
429P96.2Very high97.2Very high80 Ų8042.7 Ų42.752%0.51924%0.238SC..THydrogen-bonded Turntrans-62.6-15-169.925.3-36000115.3
430F95.8Very high97.3Very high134 Ų13441.3 Ų41.359%0.58823%0.227SC*.THydrogen-bonded Turntrans-110.37.1176.6-50.3-73.6000113.7Y402 V404 T405 V428Y402-F430 WeakPolarHBondContact O-CD2 3.4Å; V404-F430 CarbonylContact O-C 3.07Å; V404-F430 WeakPolarHBondContact O-CB 3.32Å; T405-F430 HydrophobicContact CG2-CB 3.95Å; V428-F430 PolarHBondContact O-N 3.09Å
431A97.5Very high97.3Very high13 Ų1341.2 Ų41.211%0.10723%0.226CC..SBendtrans-108.4-169.5170.800000109.5V404 I407 F409 V428V404-A431 HydrophobicContact CG2-CB 3.97Å; I407-A431 WeakPolarHBondContact O-CB 3.25Å; F409-A431 HydrophobicContact CD2-CB 4.45Å; F409-A431 HydrophobicContact CE2-CB 4.29Å; V428-A431 HydrophobicContact CB-CB 3.69Å; V428-A431 HydrophobicContact CG2-CB 3.88Å; V428-A431 PolarHBondContact O-N 2.9Å
432T98.2Very high97.3Very high26 Ų2642.1 Ų42.116%0.1623%0.23CC..EExtended strand (participates in β ladder)trans-133.5131174.1-62.20000109I407 I408 F409 I434 K466I407-T432 PolarHBondContact O-N 2.76Å; I408-T432 CarbonylContact C-O 3.44Å; I408-T432 VanDerWaalsContact CA-O 3.25Å; I408-T432 WeakPolarHBondContact CA-O 3.36Å; I408-T432 HydrophobicContact CG1-CG2 4.31Å; F409-T432 PolarHBondContact N-O 2.62Å; T432-I434 HydrophobicContact CG2-CG1 4.12Å; T432-K466 WeakPolarHBondContact OG1-CE 3.23Å
433V98.6Very high97.4Very high14 Ų1442.1 Ų42.19%0.08523%0.23CC..EExtended strand (participates in β ladder)trans-107.5133.4172.6-1780000108.6F409 I422 N425 V428F409-V433 HydrophobicContact CB-CG2 4.47Å; F409-V433 WeakPolarHBondContact O-CA 3.34Å; I422-V433 HydrophobicContact CG2-CG2 3.91Å; I422-V433 VanDerWaalsContact O-CG1 3.29Å; I422-V433 WeakPolarHBondContact O-CG1 3.24Å; N425-V433 WeakPolarHBondContact OD1-CA 3.43Å; N425-V433 WeakPolarHBondContact OD1-CB 3.21Å; N425-V433 WeakPolarHBondContact OD1-CG2 3.37Å; N425-V433 PolarHBondContact OD1-N 2.64Å; V428-V433 HydrophobicContact CG2-CG2 3.58Å
434I98.7Very high97.5Very high16 Ų1639.4 Ų39.48%0.08221%0.213CC..EExtended strand (participates in β ladder)trans-125.7118.9176.6-54.1177.4000107.7I408 F409 S410 N411 T432 M436 A459 I462 E463I408-I434 HydrophobicContact CG2-CD1 3.81Å; I408-I434 HydrophobicContact CG2-CG1 4.16Å; F409-I434 PolarHBondContact O-N 3.25Å; S410-I434 CarbonylContact C-O 3.6Å; S410-I434 VanDerWaalsContact CA-O 3.25Å; S410-I434 WeakPolarHBondContact CA-O 3.47Å; N411-I434 PolarHBondContact N-O 3.17Å; T432-I434 HydrophobicContact CG2-CG1 4.12Å; I434-M436 HydrophobicContact CG2-CG 4.15Å; I434-A459 HydrophobicContact CG2-CB 3.64Å; I434-I462 HydrophobicContact CD1-CB 4.02Å; I434-I462 HydrophobicContact CD1-CG2 3.71Å; I434-E463 HydrophobicContact CD1-CG 4.1Å
435N98.6Very high97.6Very high72 Ų7235.6 Ų35.639%0.38519%0.193SC..EExtended strand (participates in β ladder)trans-106.3125.4171.7-59.7-36.2000108N411 E413 T423N411-N435 CarbonylContact O-C 3.54Å; N411-N435 WeakPolarHBondContact O-CA 3.43Å; E413-N435 HydrophobicContact CG-CB 4.45Å; T423-N435 PolarHBondContact O-ND2 2.87Å
436M98.7Very high97.7Very high0 Ų032.7 Ų32.70%018%0.176CC..EExtended strand (participates in β ladder)trans-106113.7-174.6-62.3176.3-74.700109.7N411 E413 I434 A439 D444 V456 A459N411-M436 PolarHBondContact O-N 3.33Å; E413-M436 PolarHBondContact N-O 3.12Å; I434-M436 HydrophobicContact CG2-CG 4.15Å; M436-A439 HydrophobicContact CB-CB 3.52Å; M436-A439 HydrophobicContact CE-CB 4.42Å; M436-A439 WeakPolarHBondContact O-CB 3.25Å; M436-A439 PolarHBondContact O-N 3.01Å; M436-A439 HydrophobicContact SD-CB 4.5Å; M436-D444 HydrophobicContact CE-CB 3.83Å; M436-D444 VanDerWaalsContact CE-OD1 3.26Å; M436-D444 WeakPolarHBondContact CE-OD1 3.35Å; M436-D444 HydrophobicContact SD-CB 3.75Å; M436-V456 HydrophobicContact CB-CG2 4.29Å; M436-V456 HydrophobicContact SD-CB 4.33Å; M436-V456 HydrophobicContact SD-CG1 4.34Å; M436-V456 HydrophobicContact SD-CG2 3.98Å; M436-A459 HydrophobicContact CG-CB 3.7Å; M436-A459 HydrophobicContact SD-CB 3.58Å; M436-A459 VanDerWaalsContact SD-CB 3.58Å
437S97.9Very high97.7Very high44 Ų4431.7 Ų31.731%0.30817%0.167SC..THydrogen-bonded Turntrans-64.3143.4174.565.20000111.2E413 A439 S455E413-S437 VanDerWaalsContact OE2-CA 3.32Å; E413-S437 WeakPolarHBondContact OE2-CA 3.39Å; E413-S437 WeakPolarHBondContact OE2-CB 3.13Å; S437-A439 PolarHBondContact O-N 3.34Å; S437-A439 VanDerWaalsContact O-N 3.1Å; S437-S455 PolarHBondContact N-OG 3.37Å; S437-S455 PolarHBondContact O-OG 3.44Å; S437-S455 WeakPolarHBondContact OG-CB 3.37Å; S437-S455 PolarHBondContact OG-OG 3.35Å
438D97.1Very high97.7Very high48 Ų4828.7 Ų28.726%0.25716%0.161SC..THydrogen-bonded Turntrans58.321180-59.3-73000114.4K213 Y214 W288 P453K213-D438 WeakPolarHBondContact CE-OD1 3.17Å; K213-D438 IonicContact NZ-OD1 2.9Å; K213-D438 PolarHBondContact NZ-OD1 3.11Å; K213-D438 IonicContact NZ-OD2 3.89Å; Y214-D438 WeakPolarHBondContact OH-CA 3.14Å; Y214-D438 PolarHBondContact OH-OD1 2.65Å; W288-D438 HydrophobicContact CH2-CB 4.24Å; W288-D438 WeakPolarHBondContact CH2-O 3.31Å; D438-P453 HydrophobicContact CB-CB 4.22Å; D438-P453 HydrophobicContact CB-CG 3.95Å; D438-P453 WeakPolarHBondContact O-CG 3.36Å
439A98.3Very high97.7Very high0 Ų031.8 Ų31.80%018%0.177CC..  trans-108.5131.7176.500000111.1G412 E413 I414 M436 S437 L443 V456G412-A439 CarbonylContact C-O 3.56Å; G412-A439 WeakPolarHBondContact CA-O 3.35Å; E413-A439 PolarHBondContact N-O 2.92Å; I414-A439 WeakPolarHBondContact CG1-O 3.33Å; I414-A439 PolarHBondContact N-O 2.97Å; M436-A439 HydrophobicContact CB-CB 3.52Å; M436-A439 HydrophobicContact CE-CB 4.42Å; M436-A439 WeakPolarHBondContact O-CB 3.25Å; M436-A439 PolarHBondContact O-N 3.01Å; M436-A439 HydrophobicContact SD-CB 4.5Å; S437-A439 PolarHBondContact O-N 3.34Å; S437-A439 VanDerWaalsContact O-N 3.1Å; A439-L443 HydrophobicContact CB-CB 4.13Å; A439-L443 HydrophobicContact CB-CD2 3.95Å; A439-V456 HydrophobicContact CB-CG2 3.72Å
440A97.6Very high97.8Very high0 Ų034.2 Ų34.20%020%0.196CC..  trans-89.5-161.2172.100000110.6M272 N274 Y275 I414 H442M272-A440 VanDerWaalsContact O-CB 3.3Å; M272-A440 WeakPolarHBondContact O-CB 3.25Å; N274-A440 HydrophobicContact CB-CB 4.25Å; Y275-A440 HydrophobicContact CD1-CB 3.92Å; Y275-A440 HydrophobicContact CE1-CB 3.95Å; I414-A440 HydrophobicContact CD1-CB 4.12Å; I414-A440 HydrophobicContact CG1-CB 4.18Å; A440-H442 PolarHBondContact O-N 3.43Å; A440-H442 VanDerWaalsContact O-N 3.15Å
441H97.5Very high97.9Very high2 Ų230 Ų301%0.00919%0.186CC..THydrogen-bonded Turntrans-59.3117.4-169.7-161.159.6000112.5S164 M272 Y275 D415 W417 L443S164-H441 VanDerWaalsContact CB-NE2 3.27Å; S164-H441 WeakPolarHBondContact CB-NE2 3.13Å; S164-H441 PolarHBondContact OG-NE2 3.2Å; M272-H441 HydrophobicContact CG-CB 3.49Å; M272-H441 VanDerWaalsContact CG-CB 3.49Å; M272-H441 WeakPolarHBondContact O-CB 3.34Å; M272-H441 PolarHBondContact O-N 3.01Å; Y275-H441 VanDerWaalsContact CE1-O 3.27Å; Y275-H441 WeakPolarHBondContact CE1-O 3.45Å; Y275-H441 PolarHBondContact OH-O 3.41Å; D415-H441 IonicContact OD1-CG 3.67Å; D415-H441 IonicContact OD1-ND1 2.66Å; D415-H441 PolarHBondContact OD1-ND1 2.74Å; D415-H441 VanDerWaalsContact OD1-ND1 3.13Å; D415-H441 IonicContact OD2-CE1 3.09Å; D415-H441 IonicContact OD2-CG 3.92Å; D415-H441 IonicContact OD2-ND1 3.13Å; D415-H441 PolarHBondContact OD2-ND1 3.03Å; W417-H441 AromaticContact CD1-CE1 3.43Å; W417-H441 VanDerWaalsContact CD1-CE1 3.43Å; W417-H441 AromaticContact CD1-ND1 3.62Å; W417-H441 AromaticContact CG-CE1 3.88Å; H441-L443 VanDerWaalsContact C-N 3.28Å; H441-L443 PolarHBondContact O-N 3.44Å; H441-L443 VanDerWaalsContact O-N 3.13Å
442H97.9Very high98Very high21 Ų2130.2 Ų30.210%0.09719%0.186CC..THydrogen-bonded Turntrans42.543.2178.961.157000115.5S187 S188 A440 D444 L445S187-H442 VanDerWaalsContact OG-CA 3.32Å; S187-H442 WeakPolarHBondContact OG-CA 3.43Å; S187-H442 WeakPolarHBondContact OG-CB 3.49Å; S188-H442 WeakPolarHBondContact OG-CA 3Å; S188-H442 PolarHBondContact OG-N 2.91Å; A440-H442 PolarHBondContact O-N 3.43Å; A440-H442 VanDerWaalsContact O-N 3.15Å; H442-D444 VanDerWaalsContact CA-OD1 3.31Å; H442-D444 WeakPolarHBondContact CA-OD1 3.5Å; H442-D444 PolarHBondContact O-N 3.3Å; H442-L445 HydrophobicContact CB-CD1 4.25Å; H442-L445 HydrophobicContact CB-CG 4.41Å; H442-L445 PolarHBondContact O-N 3.33Å; H442-L445 VanDerWaalsContact O-N 3.12Å
443L98.4Very high98Very high0 Ų030 Ų300%019%0.185CC..G310 helixtrans-60.7-30.1179.9-179.554.2000112.9Y275 P276 Y277 A439 H441 L445 R446 V456 R460Y275-L443 HydrophobicContact CD1-CB 4.38Å; Y275-L443 HydrophobicContact CD1-CD1 3.84Å; Y275-L443 HydrophobicContact CD1-CG 4.47Å; Y275-L443 HydrophobicContact CE1-CB 4.23Å; Y275-L443 HydrophobicContact CE1-CD1 4.27Å; P276-L443 HydrophobicContact CG-CD2 4.26Å; Y277-L443 HydrophobicContact CE1-CD1 4.08Å; Y277-L443 VanDerWaalsContact OH-CD1 3.24Å; Y277-L443 WeakPolarHBondContact OH-CD1 3.45Å; A439-L443 HydrophobicContact CB-CB 4.13Å; A439-L443 HydrophobicContact CB-CD2 3.95Å; H441-L443 VanDerWaalsContact C-N 3.28Å; H441-L443 PolarHBondContact O-N 3.44Å; H441-L443 VanDerWaalsContact O-N 3.13Å; L443-L445 VanDerWaalsContact C-N 3.27Å; L443-L445 PolarHBondContact O-N 3.49Å; L443-R446 HydrophobicContact CD1-CB 4.36Å; L443-R446 HydrophobicContact CD1-CG 4.3Å; L443-R446 WeakPolarHBondContact O-CB 3.2Å; L443-R446 PolarHBondContact O-N 3.32Å; L443-R446 VanDerWaalsContact O-N 3.16Å; L443-V456 HydrophobicContact CD2-CG2 3.79Å; L443-V456 HydrophobicContact CG-CG1 4.17Å; L443-V456 HydrophobicContact CG-CG2 4.04Å; L443-R460 PolarHBondContact O-NH2 3.32Å
444D98.7Very high98Very high0 Ų035.1 Ų35.10%021%0.208CC..G310 helixtrans-54.2-37.1171.450.7-44.9000113.2F90 S187 S410 M436 H442 R446 R460F90-D444 WeakPolarHBondContact CB-O 3.42Å; S187-D444 WeakPolarHBondContact CB-OD2 3.43Å; S187-D444 PolarHBondContact OG-OD1 3.08Å; S187-D444 PolarHBondContact OG-OD2 3.49Å; S410-D444 WeakPolarHBondContact CB-OD2 3.14Å; S410-D444 PolarHBondContact OG-OD2 3.04Å; M436-D444 HydrophobicContact CE-CB 3.83Å; M436-D444 VanDerWaalsContact CE-OD1 3.26Å; M436-D444 WeakPolarHBondContact CE-OD1 3.35Å; M436-D444 HydrophobicContact SD-CB 3.75Å; H442-D444 VanDerWaalsContact CA-OD1 3.31Å; H442-D444 WeakPolarHBondContact CA-OD1 3.5Å; H442-D444 PolarHBondContact O-N 3.3Å; D444-R446 VanDerWaalsContact C-N 3.35Å; D444-R446 PolarHBondContact O-N 3.13Å; D444-R460 HydrophobicContact CB-CG 4.45Å; D444-R460 PolarHBondContact O-NE 3.18Å
445L98.6Very high98Very high1 Ų135.4 Ų35.41%0.00521%0.211CC..G310 helixtrans-75.6-22.1179.4-65.1-174.8000113.8Y74 S88 G89 F90 F161 I185 H442 L443Y74-L445 HydrophobicContact CE2-CD1 4.36Å; S88-L445 CarbonylContact C-O 3.32Å; S88-L445 WeakPolarHBondContact CA-O 3.3Å; G89-L445 PolarHBondContact N-O 3.24Å; F90-L445 WeakPolarHBondContact CB-O 3.13Å; F90-L445 PolarHBondContact N-O 2.98Å; F161-L445 HydrophobicContact CD1-CD2 4.25Å; I185-L445 HydrophobicContact CG2-CD2 4.43Å; H442-L445 HydrophobicContact CB-CD1 4.25Å; H442-L445 HydrophobicContact CB-CG 4.41Å; H442-L445 PolarHBondContact O-N 3.33Å; H442-L445 VanDerWaalsContact O-N 3.12Å; L443-L445 VanDerWaalsContact C-N 3.27Å; L443-L445 PolarHBondContact O-N 3.49Å
446R97.4Very high98Very high21 Ų2132 Ų328%0.07919%0.193CC..SBendtrans-65.3162.7-177-59.7-167.764.377.78.2111.9N87 F90 Y277 L443 D444 R460N87-R446 WeakPolarHBondContact O-CA 3.21Å; N87-R446 PolarHBondContact OD1-NH1 3.29Å; N87-R446 PolarHBondContact OD1-NH2 2.71Å; F90-R446 PolarHBondContact N-O 2.93Å; Y277-R446 VanDerWaalsContact OH-CB 3.24Å; Y277-R446 WeakPolarHBondContact OH-CB 3.34Å; Y277-R446 VanDerWaalsContact OH-CD 3.29Å; Y277-R446 WeakPolarHBondContact OH-CD 3.13Å; Y277-R446 PolarHBondContact OH-NE 3.48Å; L443-R446 HydrophobicContact CD1-CB 4.36Å; L443-R446 HydrophobicContact CD1-CG 4.3Å; L443-R446 WeakPolarHBondContact O-CB 3.2Å; L443-R446 PolarHBondContact O-N 3.32Å; L443-R446 VanDerWaalsContact O-N 3.16Å; D444-R446 VanDerWaalsContact C-N 3.35Å; D444-R446 PolarHBondContact O-N 3.13Å; R446-R460 PolarHBondContact O-NH2 2.05Å
447T96.6Very high98Very high62 Ų6235.1 Ų35.138%0.3821%0.212SC..PPolyproline II helixtrans-56128.8172.3-50.50000109.6G89 N449G89-T447 WeakPolarHBondContact CA-OG1 3.45Å; T447-N449 PolarHBondContact O-N 2.94Å
448P97Very high98Very high48 Ų4838.1 Ų38.131%0.31222%0.221SC..PPolyproline II helixtrans-53.8134.2174.3-28.536.9000111.8K93K93-P448 HydrophobicContact CD-CG 3.78Å
449N97.4Very high98.1Very high65 Ų6535.9 Ų35.935%0.34821%0.209SC..  trans-133.3149-173.5-167.9-69.5000109.8Y277 T447 A451 D452Y277-N449 HydrophobicContact CD1-CB 3.66Å; Y277-N449 VanDerWaalsContact CD1-CG 3.46Å; Y277-N449 HydrophobicContact CE1-CB 3.54Å; Y277-N449 HydrophobicContact CG-CB 4.45Å; T447-N449 PolarHBondContact O-N 2.94Å; N449-A451 PolarHBondContact O-N 3.33Å; N449-A451 WeakPolarHBondContact OD1-CB 3.37Å; N449-A451 PolarHBondContact OD1-N 3.25Å; N449-D452 PolarHBondContact N-OD2 2.74Å; N449-D452 WeakPolarHBondContact O-CB 3.43Å; N449-D452 PolarHBondContact O-N 3.43Å; N449-D452 VanDerWaalsContact O-N 3.14Å; N449-D452 VanDerWaalsContact O-OD2 3.13Å
450S97.6Very high98.1Very high131 Ų13136.5 Ų36.592%0.91621%0.211SC*.THydrogen-bonded Turntrans-63.3-20.4176.951.40000113.9
451A98Very high98.1Very high46 Ų4640.7 Ų40.738%0.3823%0.231SC..THydrogen-bonded Turntrans-91.32.8177.600000113.7P276 Y277 N449P276-A451 HydrophobicContact CB-CB 4.46Å; P276-A451 WeakPolarHBondContact CB-O 3.36Å; P276-A451 WeakPolarHBondContact CG-O 3.39Å; Y277-A451 HydrophobicContact CD1-CB 4.3Å; N449-A451 PolarHBondContact O-N 3.33Å; N449-A451 WeakPolarHBondContact OD1-CB 3.37Å; N449-A451 PolarHBondContact OD1-N 3.25Å
452D98.4Very high98.2Very high18 Ų1844.3 Ų44.310%0.09625%0.249CC..  trans-61.4136.2177.9-75.2-40.4000111.5Y277 N449 V457 R460Y277-D452 WeakPolarHBondContact CE1-OD1 3.29Å; N449-D452 PolarHBondContact N-OD2 2.74Å; N449-D452 WeakPolarHBondContact O-CB 3.43Å; N449-D452 PolarHBondContact O-N 3.43Å; N449-D452 VanDerWaalsContact O-N 3.14Å; N449-D452 VanDerWaalsContact O-OD2 3.13Å; D452-V457 HydrophobicContact CB-CG2 4.12Å; D452-R460 IonicContact OD1-NH1 3.54Å; D452-R460 IonicContact OD1-NH2 3.06Å; D452-R460 IonicContact OD2-CZ 3.88Å; D452-R460 IonicContact OD2-NH1 3.61Å; D452-R460 PolarHBondContact OD2-NH1 2.79Å; D452-R460 IonicContact OD2-NH2 2.65Å; D452-R460 PolarHBondContact OD2-NH2 3.22Å
453P98.3Very high98.2Very high22 Ų2243.3 Ų43.314%0.14325%0.245CC..  trans-57.1145.3168.2-22.830.7000110.9D438 S455 V456 V457D438-P453 HydrophobicContact CB-CB 4.22Å; D438-P453 HydrophobicContact CB-CG 3.95Å; D438-P453 WeakPolarHBondContact O-CG 3.36Å; P453-S455 PolarHBondContact O-N 3.43Å; P453-S455 VanDerWaalsContact O-N 3.14Å; P453-V456 HydrophobicContact CB-CG2 4.28Å; P453-V456 HydrophobicContact CG-CG2 4.25Å; P453-V456 WeakPolarHBondContact O-CB 3.44Å; P453-V456 PolarHBondContact O-N 2.96Å; P453-V457 PolarHBondContact O-N 2.97Å
454Q98.5Very high98.3Very high121 Ų12145.4 Ų45.457%0.56525%0.254SS*.Hα-helixtrans-56-34.7179.6-178.958.12900112.5V456 V457 E458Q454-V456 VanDerWaalsContact C-N 3.3Å; Q454-V456 PolarHBondContact O-N 3.39Å; Q454-V457 PolarHBondContact O-N 3.25Å; Q454-E458 WeakPolarHBondContact CG-OE1 3.07Å; Q454-E458 PolarHBondContact NE2-OE1 2.98Å; Q454-E458 WeakPolarHBondContact O-CG 3.05Å; Q454-E458 PolarHBondContact O-N 3.01Å
455S98.6Very high98.3Very high21 Ų2149.8 Ų49.815%0.14728%0.275CS..Hα-helixtrans-58.2-37174.9580000113.3S437 P453 A459S437-S455 PolarHBondContact N-OG 3.37Å; S437-S455 PolarHBondContact O-OG 3.44Å; S437-S455 WeakPolarHBondContact OG-CB 3.37Å; S437-S455 PolarHBondContact OG-OG 3.35Å; P453-S455 PolarHBondContact O-N 3.43Å; P453-S455 VanDerWaalsContact O-N 3.14Å; S455-A459 VanDerWaalsContact O-CB 3.31Å; S455-A459 WeakPolarHBondContact O-CB 3.14Å; S455-A459 PolarHBondContact O-N 2.96Å
456V98.8Very high98.3Very high0 Ų052.7 Ų52.70%029%0.287CS..Hα-helixtrans-74.3-39.5177.6179.90000110.5M436 A439 L443 P453 Q454 E458 A459 R460M436-V456 HydrophobicContact CB-CG2 4.29Å; M436-V456 HydrophobicContact SD-CB 4.33Å; M436-V456 HydrophobicContact SD-CG1 4.34Å; M436-V456 HydrophobicContact SD-CG2 3.98Å; A439-V456 HydrophobicContact CB-CG2 3.72Å; L443-V456 HydrophobicContact CD2-CG2 3.79Å; L443-V456 HydrophobicContact CG-CG1 4.17Å; L443-V456 HydrophobicContact CG-CG2 4.04Å; P453-V456 HydrophobicContact CB-CG2 4.28Å; P453-V456 HydrophobicContact CG-CG2 4.25Å; P453-V456 WeakPolarHBondContact O-CB 3.44Å; P453-V456 PolarHBondContact O-N 2.96Å; Q454-V456 VanDerWaalsContact C-N 3.3Å; Q454-V456 PolarHBondContact O-N 3.39Å; V456-E458 VanDerWaalsContact C-N 3.32Å; V456-E458 PolarHBondContact O-N 2.93Å; V456-A459 PolarHBondContact O-N 2.83Å; V456-R460 WeakPolarHBondContact O-CG 3.43Å; V456-R460 PolarHBondContact O-N 2.97Å
457V98.7Very high98.3Very high67 Ų6751.7 Ų51.741%0.40628%0.283SS..Hα-helixtrans-60.6-44.9175.5179.20000110.3D452 P453 Q454 E461D452-V457 HydrophobicContact CB-CG2 4.12Å; P453-V457 PolarHBondContact O-N 2.97Å; Q454-V457 PolarHBondContact O-N 3.25Å; V457-E461 PolarHBondContact O-N 3.05Å
458E98.6Very high98.4Very high106 Ų10650.6 Ų50.650%0.49528%0.275SS..Hα-helixtrans-65.8-42.6176-72171.3-16700112.4Q454 V456 R460 E461 I462Q454-E458 WeakPolarHBondContact CG-OE1 3.07Å; Q454-E458 PolarHBondContact NE2-OE1 2.98Å; Q454-E458 WeakPolarHBondContact O-CG 3.05Å; Q454-E458 PolarHBondContact O-N 3.01Å; V456-E458 VanDerWaalsContact C-N 3.32Å; V456-E458 PolarHBondContact O-N 2.93Å; E458-R460 PolarHBondContact O-N 3.11Å; E458-E461 PolarHBondContact O-N 3.49Å; E458-I462 WeakPolarHBondContact O-CG1 3.33Å; E458-I462 PolarHBondContact O-N 3.22Å
459A98.8Very high98.4Very high1 Ų152.2 Ų52.21%0.00828%0.278CS..Hα-helixtrans-56.3-49.4176.500000112I434 M436 S455 V456 E461 I462 E463I434-A459 HydrophobicContact CG2-CB 3.64Å; M436-A459 HydrophobicContact CG-CB 3.7Å; M436-A459 HydrophobicContact SD-CB 3.58Å; M436-A459 VanDerWaalsContact SD-CB 3.58Å; S455-A459 VanDerWaalsContact O-CB 3.31Å; S455-A459 WeakPolarHBondContact O-CB 3.14Å; S455-A459 PolarHBondContact O-N 2.96Å; V456-A459 PolarHBondContact O-N 2.83Å; A459-E461 VanDerWaalsContact C-N 3.29Å; A459-E461 PolarHBondContact O-N 3.46Å; A459-I462 WeakPolarHBondContact O-CB 3.49Å; A459-I462 PolarHBondContact O-N 3.31Å; A459-I462 VanDerWaalsContact O-N 3.14Å; A459-E463 WeakPolarHBondContact O-CG 3.49Å; A459-E463 PolarHBondContact O-N 3.12Å
460R98.8Very high98.4Very high13 Ų1349.5 Ų49.55%0.04926%0.263CS..Hα-helixtrans-61.5-35.6178.5-72.9-179.6-172.4137.6-2.6112.8F90 L443 D444 R446 D452 V456 E458 K464F90-R460 HydrophobicContact CD1-CG 4.3Å; F90-R460 HydrophobicContact CD2-CB 4.37Å; F90-R460 HydrophobicContact CD2-CG 4.1Å; F90-R460 HydrophobicContact CE1-CB 4.29Å; F90-R460 HydrophobicContact CE1-CG 4.12Å; F90-R460 HydrophobicContact CE2-CB 3.73Å; F90-R460 HydrophobicContact CE2-CG 3.93Å; F90-R460 HydrophobicContact CG-CG 4.3Å; F90-R460 HydrophobicContact CZ-CB 3.68Å; F90-R460 HydrophobicContact CZ-CG 3.94Å; F90-R460 WeakPolarHBondContact CZ-O 3.31Å; L443-R460 PolarHBondContact O-NH2 3.32Å; D444-R460 HydrophobicContact CB-CG 4.45Å; D444-R460 PolarHBondContact O-NE 3.18Å; R446-R460 PolarHBondContact O-NH2 2.05Å; D452-R460 IonicContact OD1-NH1 3.54Å; D452-R460 IonicContact OD1-NH2 3.06Å; D452-R460 IonicContact OD2-CZ 3.88Å; D452-R460 IonicContact OD2-NH1 3.61Å; D452-R460 PolarHBondContact OD2-NH1 2.79Å; D452-R460 IonicContact OD2-NH2 2.65Å; D452-R460 PolarHBondContact OD2-NH2 3.22Å; V456-R460 WeakPolarHBondContact O-CG 3.43Å; V456-R460 PolarHBondContact O-N 2.97Å; E458-R460 PolarHBondContact O-N 3.11Å; R460-K464 WeakPolarHBondContact O-CB 3.31Å; R460-K464 PolarHBondContact O-N 2.94Å
461E98.6Very high98.4Very high89 Ų8944.2 Ų44.242%0.41622%0.224SC..Hα-helixtrans-68.5-42.9175.4-17555.8-150.800111.2V457 E458 A459 E463 K464 Q465V457-E461 PolarHBondContact O-N 3.05Å; E458-E461 PolarHBondContact O-N 3.49Å; A459-E461 VanDerWaalsContact C-N 3.29Å; A459-E461 PolarHBondContact O-N 3.46Å; E461-E463 PolarHBondContact O-N 3.42Å; E461-K464 PolarHBondContact O-N 3.43Å; E461-Q465 VanDerWaalsContact O-CG 3.31Å; E461-Q465 WeakPolarHBondContact O-CG 3.18Å; E461-Q465 PolarHBondContact O-N 3.15Å; E461-Q465 PolarHBondContact OE1-NE2 2.96Å
462I98.6Very high98.2Very high77 Ų7748.4 Ų48.440%0.39523%0.234SC..Hα-helixtrans-60-46.3174.4-66167.6000110.8I434 E458 A459 K464 Q465 K466I434-I462 HydrophobicContact CD1-CB 4.02Å; I434-I462 HydrophobicContact CD1-CG2 3.71Å; E458-I462 WeakPolarHBondContact O-CG1 3.33Å; E458-I462 PolarHBondContact O-N 3.22Å; A459-I462 WeakPolarHBondContact O-CB 3.49Å; A459-I462 PolarHBondContact O-N 3.31Å; A459-I462 VanDerWaalsContact O-N 3.14Å; I462-K464 PolarHBondContact O-N 3.49Å; I462-Q465 PolarHBondContact O-N 2.03Å; I462-K466 HydrophobicContact CG2-CG 4.43Å; I462-K466 WeakPolarHBondContact O-CG 3.35Å; I462-K466 PolarHBondContact O-N 2.93Å
463E98.8Very high98Very high0 Ų050.4 Ų50.40%024%0.243CC..Hα-helixtrans-56.2-51.7177-74.3165.2-179.100111.4F90 I185 I408 I434 A459 E461 Q465 K466 I467F90-E463 HydrophobicContact CE1-CB 4.24Å; F90-E463 WeakPolarHBondContact CE1-OE2 3.16Å; I185-E463 HydrophobicContact CD1-CB 4.32Å; I185-E463 HydrophobicContact CD1-CG 4.27Å; I408-E463 HydrophobicContact CD1-CB 4.27Å; I408-E463 HydrophobicContact CD1-CG 3.94Å; I408-E463 HydrophobicContact CG2-CG 4.27Å; I434-E463 HydrophobicContact CD1-CG 4.1Å; A459-E463 WeakPolarHBondContact O-CG 3.49Å; A459-E463 PolarHBondContact O-N 3.12Å; E461-E463 PolarHBondContact O-N 3.42Å; E463-Q465 VanDerWaalsContact C-N 3.35Å; E463-Q465 PolarHBondContact O-N 3.08Å; E463-K466 PolarHBondContact O-N 3.4Å; E463-I467 WeakPolarHBondContact O-CD1 3.41Å; E463-I467 VanDerWaalsContact O-CG1 3.23Å; E463-I467 WeakPolarHBondContact O-CG1 3.28Å; E463-I467 PolarHBondContact O-N 3.27Å
464K98.7Very high97.8Very high44 Ų4451.5 Ų51.519%0.19124%0.244CC..Hα-helixtrans-56.1-46.8176173.6178.8156.11800112.1L94 E97 R460 E461 I462 K466 I467 I468L94-K464 HydrophobicContact CD2-CB 4Å; L94-K464 HydrophobicContact CD2-CD 4.25Å; L94-K464 HydrophobicContact CD2-CG 4.01Å; E97-K464 WeakPolarHBondContact OE2-CD 3.49Å; E97-K464 VanDerWaalsContact OE2-CE 3.27Å; E97-K464 WeakPolarHBondContact OE2-CE 3.36Å; E97-K464 IonicContact OE2-NZ 2.78Å; E97-K464 PolarHBondContact OE2-NZ 3.3Å; R460-K464 WeakPolarHBondContact O-CB 3.31Å; R460-K464 PolarHBondContact O-N 2.94Å; E461-K464 PolarHBondContact O-N 3.43Å; I462-K464 PolarHBondContact O-N 3.49Å; K464-K466 VanDerWaalsContact C-N 3.34Å; K464-K466 PolarHBondContact O-N 2.99Å; K464-I467 PolarHBondContact O-N 3.28Å; K464-I468 HydrophobicContact CG-CD1 3.98Å; K464-I468 WeakPolarHBondContact O-CG1 3.49Å; K464-I468 PolarHBondContact O-N 2.84Å
465Q98.6Very high97.4Very high93 Ų9348 Ų4844%0.43523%0.229SC..Hα-helixtrans-63.9-39.3179.9-68.2-54.8-35.600112.3E461 I462 E463 I468 Q469E461-Q465 VanDerWaalsContact O-CG 3.31Å; E461-Q465 WeakPolarHBondContact O-CG 3.18Å; E461-Q465 PolarHBondContact O-N 3.15Å; E461-Q465 PolarHBondContact OE1-NE2 2.96Å; I462-Q465 PolarHBondContact O-N 2.03Å; E463-Q465 VanDerWaalsContact C-N 3.35Å; E463-Q465 PolarHBondContact O-N 3.08Å; Q465-I468 PolarHBondContact O-N 3.18Å; Q465-Q469 WeakPolarHBondContact O-CB 3.48Å; Q465-Q469 PolarHBondContact O-N 2.78Å
466K98.5Very high96.9Very high61 Ų6152.5 Ų52.527%0.26525%0.251SS..Hα-helixtrans-65.8-41.3174.5-71.6-68-174.2179.50112.1I408 T432 I462 E463 K464 I468 Q469 W470I408-K466 HydrophobicContact CD1-CB 3.63Å; I408-K466 HydrophobicContact CD1-CG 3.83Å; I408-K466 HydrophobicContact CG1-CG 4.49Å; T432-K466 WeakPolarHBondContact OG1-CE 3.23Å; I462-K466 HydrophobicContact CG2-CG 4.43Å; I462-K466 WeakPolarHBondContact O-CG 3.35Å; I462-K466 PolarHBondContact O-N 2.93Å; E463-K466 PolarHBondContact O-N 3.4Å; K464-K466 VanDerWaalsContact C-N 3.34Å; K464-K466 PolarHBondContact O-N 2.99Å; K466-I468 PolarHBondContact O-N 3.19Å; K466-Q469 WeakPolarHBondContact O-CB 3.4Å; K466-Q469 PolarHBondContact O-N 3.45Å; K466-W470 HydrophobicContact CB-CH2 4.21Å; K466-W470 HydrophobicContact CB-CZ2 3.92Å; K466-W470 VanDerWaalsContact O-CD2 3.25Å; K466-W470 PolarHBondContact O-N 3.49Å
467I98.6Very high96Very high0 Ų058.3 Ų58.30%028%0.276CS..Hα-helixtrans-58.9-48.5174.4-69.5162.7000110.6L94 L98 I159 F161 I185 E463 K464 Q469 W470 I471L94-I467 HydrophobicContact CD1-CD1 3.79Å; L98-I467 HydrophobicContact CD1-CG2 3.65Å; I159-I467 HydrophobicContact CD1-CG2 4.46Å; I159-I467 HydrophobicContact CG1-CG2 4.1Å; I159-I467 HydrophobicContact CG2-CD1 4.47Å; I159-I467 HydrophobicContact CG2-CG1 4.05Å; F161-I467 HydrophobicContact CE1-CD1 4Å; F161-I467 HydrophobicContact CZ-CD1 3.62Å; I185-I467 HydrophobicContact CD1-CD1 4.13Å; I185-I467 HydrophobicContact CD1-CG1 4.15Å; I185-I467 HydrophobicContact CG1-CD1 4.1Å; I185-I467 HydrophobicContact CG1-CG1 4.48Å; E463-I467 WeakPolarHBondContact O-CD1 3.41Å; E463-I467 VanDerWaalsContact O-CG1 3.23Å; E463-I467 WeakPolarHBondContact O-CG1 3.28Å; E463-I467 PolarHBondContact O-N 3.27Å; K464-I467 PolarHBondContact O-N 3.28Å; I467-Q469 VanDerWaalsContact C-N 3.28Å; I467-Q469 PolarHBondContact O-N 2.86Å; I467-W470 HydrophobicContact CG1-CE3 4.25Å; I467-W470 HydrophobicContact CG1-CZ3 4.19Å; I467-W470 PolarHBondContact O-N 3.34Å; I467-I471 HydrophobicContact CG2-CD1 3.69Å; I467-I471 HydrophobicContact CG2-CG1 4.42Å; I467-I471 WeakPolarHBondContact O-CD1 3.35Å; I467-I471 VanDerWaalsContact O-CG1 3.24Å; I467-I471 WeakPolarHBondContact O-CG1 3.38Å; I467-I471 PolarHBondContact O-N 2.94Å
468I98.1Very high94.7Very high40 Ų4057.3 Ų57.321%0.20527%0.272CS..Hα-helixtrans-58.7-41.6176.3-68.5166.3000110.9L98 K464 Q465 K466 K472L98-I468 HydrophobicContact CD2-CD1 4.09Å; L98-I468 HydrophobicContact CD2-CG1 3.66Å; K464-I468 HydrophobicContact CG-CD1 3.98Å; K464-I468 WeakPolarHBondContact O-CG1 3.49Å; K464-I468 PolarHBondContact O-N 2.84Å; Q465-I468 PolarHBondContact O-N 3.18Å; K466-I468 PolarHBondContact O-N 3.19Å; I468-K472 HydrophobicContact CG2-CD 4.33Å; I468-K472 WeakPolarHBondContact O-CG 3.18Å; I468-K472 PolarHBondContact O-N 3.38Å; I468-K472 VanDerWaalsContact O-N 3.16Å
469Q97.7Very high93.2Very high81 Ų8156.6 Ų56.638%0.37927%0.271SS..Hα-helixtrans-60.1-50.3175.3-179.2-172-19.200111.3Q465 K466 I467 I471 K472 E473Q465-Q469 WeakPolarHBondContact O-CB 3.48Å; Q465-Q469 PolarHBondContact O-N 2.78Å; K466-Q469 WeakPolarHBondContact O-CB 3.4Å; K466-Q469 PolarHBondContact O-N 3.45Å; I467-Q469 VanDerWaalsContact C-N 3.28Å; I467-Q469 PolarHBondContact O-N 2.86Å; Q469-I471 VanDerWaalsContact C-N 3.34Å; Q469-I471 PolarHBondContact O-N 2.94Å; Q469-K472 WeakPolarHBondContact O-CB 3.37Å; Q469-K472 PolarHBondContact O-N 2.85Å; Q469-E473 WeakPolarHBondContact CG-OE1 3.41Å; Q469-E473 PolarHBondContact NE2-OE1 3.4Å; Q469-E473 WeakPolarHBondContact O-CG 3.47Å; Q469-E473 PolarHBondContact O-N 3.41Å
470W97.6Very high91.4Very high8 Ų859.6 Ų59.63%0.0329%0.292CS..Hα-helixtrans-64.3-37.4-178.2-58.6-28.8000112.9I159 I185 N406 I408 K466 I467 E473 W474I159-W470 HydrophobicContact CD1-CB 4.35Å; I159-W470 HydrophobicContact CD1-CE3 4.28Å; I185-W470 HydrophobicContact CD1-CH2 4.05Å; I185-W470 HydrophobicContact CD1-CZ3 3.87Å; N406-W470 VanDerWaalsContact C-CZ2 3.42Å; N406-W470 HydrophobicContact CB-CD2 4.04Å; N406-W470 HydrophobicContact CB-CG 4.11Å; N406-W470 HydrophobicContact CB-CZ2 4.17Å; I408-W470 HydrophobicContact CB-CH2 4.47Å; I408-W470 HydrophobicContact CD1-CH2 3.81Å; I408-W470 HydrophobicContact CD1-CZ2 4.33Å; I408-W470 HydrophobicContact CG1-CH2 3.86Å; I408-W470 HydrophobicContact CG1-CZ2 4.24Å; K466-W470 HydrophobicContact CB-CH2 4.21Å; K466-W470 HydrophobicContact CB-CZ2 3.92Å; K466-W470 VanDerWaalsContact O-CD2 3.25Å; K466-W470 PolarHBondContact O-N 3.49Å; I467-W470 HydrophobicContact CG1-CE3 4.25Å; I467-W470 HydrophobicContact CG1-CZ3 4.19Å; I467-W470 PolarHBondContact O-N 3.34Å; W470-E473 PolarHBondContact O-N 2.97Å; W470-W474 WeakPolarHBondContact O-CB 3.28Å; W470-W474 PolarHBondContact O-N 3.24Å
471I96.4Very high89.5Confident20 Ų2064 Ų6410%0.10332%0.317CS..Hα-helixtrans-59.5-47.1173.5-69.5164.3000110.4P70 L98 P157 I159 I467 Q469 W474 N475P70-I471 HydrophobicContact CB-CD1 3.89Å; P70-I471 HydrophobicContact CB-CG1 4.12Å; P70-I471 HydrophobicContact CG-CD1 3.63Å; P70-I471 HydrophobicContact CG-CG1 4.4Å; L98-I471 HydrophobicContact CD1-CD1 4.44Å; P157-I471 HydrophobicContact CB-CG1 4.5Å; P157-I471 HydrophobicContact CG-CB 4.26Å; P157-I471 HydrophobicContact CG-CG1 4.01Å; P157-I471 HydrophobicContact CG-CG2 3.96Å; I159-I471 HydrophobicContact CD1-CG1 4.35Å; I467-I471 HydrophobicContact CG2-CD1 3.69Å; I467-I471 HydrophobicContact CG2-CG1 4.42Å; I467-I471 WeakPolarHBondContact O-CD1 3.35Å; I467-I471 VanDerWaalsContact O-CG1 3.24Å; I467-I471 WeakPolarHBondContact O-CG1 3.38Å; I467-I471 PolarHBondContact O-N 2.94Å; Q469-I471 VanDerWaalsContact C-N 3.34Å; Q469-I471 PolarHBondContact O-N 2.94Å; I471-W474 PolarHBondContact O-N 3.1Å; I471-N475 PolarHBondContact O-N 3.47Å; I471-N475 VanDerWaalsContact O-N 3.08Å; I471-N475 PolarHBondContact O-ND2 2.85Å
472K95.1Very high87.7Confident134 Ų13463.5 Ų63.558%0.58332%0.32SS*.Hα-helixtrans-62-47.2177.3-71.4172.7-178.4175.80111.6I468 Q469 W474 N475 L476I468-K472 HydrophobicContact CG2-CD 4.33Å; I468-K472 WeakPolarHBondContact O-CG 3.18Å; I468-K472 PolarHBondContact O-N 3.38Å; I468-K472 VanDerWaalsContact O-N 3.16Å; Q469-K472 WeakPolarHBondContact O-CB 3.37Å; Q469-K472 PolarHBondContact O-N 2.85Å; K472-W474 VanDerWaalsContact C-N 3.33Å; K472-W474 PolarHBondContact O-N 2.95Å; K472-N475 PolarHBondContact O-N 3.38Å; K472-L476 VanDerWaalsContact O-CG 3.31Å; K472-L476 WeakPolarHBondContact O-CG 3.09Å; K472-L476 PolarHBondContact O-N 2.97Å
473E93.8Very high85.6Confident60 Ų6067.2 Ų67.228%0.2833%0.33SS..Hα-helixtrans-60.1-41.3178.4-72.5173.8-175.700112.5N406 Q469 W470 L476 K477N406-E473 PolarHBondContact ND2-OE2 2.97Å; Q469-E473 WeakPolarHBondContact CG-OE1 3.41Å; Q469-E473 PolarHBondContact NE2-OE1 3.4Å; Q469-E473 WeakPolarHBondContact O-CG 3.47Å; Q469-E473 PolarHBondContact O-N 3.41Å; W470-E473 PolarHBondContact O-N 2.97Å; E473-L476 PolarHBondContact O-N 3.22Å; E473-K477 WeakPolarHBondContact O-CG 3.44Å; E473-K477 PolarHBondContact O-N 2.85Å; E473-K477 VanDerWaalsContact O-N 3.14Å
474W93.4Very high83.7Confident46 Ų4672.4 Ų72.417%0.17435%0.353CS..Hα-helixtrans-62.3-49.4177.3-176.6-91.1000111.9P157 N179 A182 W470 I471 K472 L476 K477 S478P157-W474 HydrophobicContact CB-CB 3.97Å; P157-W474 HydrophobicContact CB-CD2 4.3Å; P157-W474 HydrophobicContact CB-CG 3.69Å; N179-W474 VanDerWaalsContact O-CH2 3.31Å; N179-W474 WeakPolarHBondContact O-CH2 3.39Å; A182-W474 HydrophobicContact CB-CB 4.16Å; A182-W474 HydrophobicContact CB-CD2 3.92Å; A182-W474 HydrophobicContact CB-CE3 3.54Å; A182-W474 HydrophobicContact CB-CG 4.21Å; A182-W474 HydrophobicContact CB-CZ3 4.15Å; W470-W474 WeakPolarHBondContact O-CB 3.28Å; W470-W474 PolarHBondContact O-N 3.24Å; I471-W474 PolarHBondContact O-N 3.1Å; K472-W474 VanDerWaalsContact C-N 3.33Å; K472-W474 PolarHBondContact O-N 2.95Å; W474-L476 VanDerWaalsContact C-N 3.3Å; W474-L476 PolarHBondContact O-N 3.33Å; W474-K477 PolarHBondContact O-N 3.12Å; W474-S478 PolarHBondContact O-N 2.96Å; W474-S478 VanDerWaalsContact O-N 3.13Å
475N90.5Very high81.7Confident47 Ų4775.2 Ų75.225%0.25137%0.369SS..Hα-helixtrans-62.6-38.8-179.7-70.3-18.4000111.3I471 K472 K477 S478 L479I471-N475 PolarHBondContact O-N 3.47Å; I471-N475 VanDerWaalsContact O-N 3.08Å; I471-N475 PolarHBondContact O-ND2 2.85Å; K472-N475 PolarHBondContact O-N 3.38Å; N475-K477 PolarHBondContact O-N 2.63Å; N475-S478 PolarHBondContact O-N 2.98Å; N475-S478 PolarHBondContact O-OG 3.27Å; N475-L479 WeakPolarHBondContact O-CG 3.38Å; N475-L479 PolarHBondContact O-N 3Å; N475-L479 VanDerWaalsContact O-N 3.16Å
476L88Confident79.7Confident116 Ų11675.6 Ų75.661%0.60737%0.374SS*.Hα-helixtrans-63.2-40.2175.2-71.8171.9000113.1K472 E473 W474 S478 L479 S480K472-L476 VanDerWaalsContact O-CG 3.31Å; K472-L476 WeakPolarHBondContact O-CG 3.09Å; K472-L476 PolarHBondContact O-N 2.97Å; E473-L476 PolarHBondContact O-N 3.22Å; W474-L476 VanDerWaalsContact C-N 3.3Å; W474-L476 PolarHBondContact O-N 3.33Å; L476-S478 VanDerWaalsContact C-N 3.32Å; L476-S478 PolarHBondContact O-N 2.92Å; L476-L479 PolarHBondContact O-N 3.49Å; L476-S480 PolarHBondContact O-N 3.33Å; L476-S480 PolarHBondContact O-OG 3.38Å
477K80.8Confident77.7Confident121 Ų12176.4 Ų76.453%0.52638%0.38SS..Hα-helixtrans-63.9-37.9176.2-73.8174.5-178.6174.60112.2E473 W474 N475 L479 S480 N481E473-K477 WeakPolarHBondContact O-CG 3.44Å; E473-K477 PolarHBondContact O-N 2.85Å; E473-K477 VanDerWaalsContact O-N 3.14Å; W474-K477 PolarHBondContact O-N 3.12Å; N475-K477 PolarHBondContact O-N 2.63Å; K477-L479 VanDerWaalsContact C-N 3.34Å; K477-S480 WeakPolarHBondContact CA-OG 3.16Å; K477-S480 PolarHBondContact O-N 3.25Å; K477-S480 PolarHBondContact O-OG 3.05Å; K477-N481 PolarHBondContact O-N 3.37Å
478S70.7Confident75.6Confident47 Ų4780.4 Ų80.433%0.32940%0.401SS..Hα-helixtrans-63.8-41.7176.678.10000111.5W474 N475 L476 N481 V482W474-S478 PolarHBondContact O-N 2.96Å; W474-S478 VanDerWaalsContact O-N 3.13Å; N475-S478 PolarHBondContact O-N 2.98Å; N475-S478 PolarHBondContact O-OG 3.27Å; L476-S478 VanDerWaalsContact C-N 3.32Å; L476-S478 PolarHBondContact O-N 2.92Å; S478-N481 PolarHBondContact O-N 3.27Å; S478-V482 WeakPolarHBondContact O-CG2 3.34Å; S478-V482 PolarHBondContact O-N 3.44Å
479L66.3Low73.6Confident90 Ų9086 Ų8647%0.47142%0.424SS..Hα-helixtrans-67.3-44.2177.3-69.9169.5000111.8N475 L476 K477 N481 V482 Y483N475-L479 WeakPolarHBondContact O-CG 3.38Å; N475-L479 PolarHBondContact O-N 3Å; N475-L479 VanDerWaalsContact O-N 3.16Å; L476-L479 PolarHBondContact O-N 3.49Å; K477-L479 VanDerWaalsContact C-N 3.34Å; L479-N481 PolarHBondContact O-N 3.06Å; L479-V482 PolarHBondContact O-N 2.8Å; L479-Y483 VanDerWaalsContact O-CD2 3.31Å; L479-Y483 WeakPolarHBondContact O-CD2 3.39Å; L479-Y483 PolarHBondContact O-N 3.49Å
480S62.1Low71.3Confident64 Ų6485.4 Ų85.445%0.44843%0.429SS..Hα-helixtrans-60.2-35.9179.858.40000112.6L476 K477 Y483 F484L476-S480 PolarHBondContact O-N 3.33Å; L476-S480 PolarHBondContact O-OG 3.38Å; K477-S480 WeakPolarHBondContact CA-OG 3.16Å; K477-S480 PolarHBondContact O-N 3.25Å; K477-S480 PolarHBondContact O-OG 3.05Å; S480-Y483 PolarHBondContact O-N 3.48Å; S480-F484 WeakPolarHBondContact O-CB 3.46Å; S480-F484 PolarHBondContact O-N 3.33Å
481N59.2Low68.9Low106 Ų10688 Ų8857%0.56744%0.444SS*.Hα-helixtrans-67.5-37.6175.9-70.4-13.7000111.8K477 S478 L479 L485K477-N481 PolarHBondContact O-N 3.37Å; S478-N481 PolarHBondContact O-N 3.27Å; L479-N481 PolarHBondContact O-N 3.06Å; N481-L485 WeakPolarHBondContact O-CD1 3.38Å; N481-L485 WeakPolarHBondContact O-CG 3.39Å; N481-L485 PolarHBondContact O-N 3.19Å; N481-L485 VanDerWaalsContact O-N 3.09Å
482V60.7Low66.7Low79 Ų7993.2 Ų93.248%0.47948%0.476SS..Hα-helixtrans-67.3-44.6175.3175.90000111.2S478 L479 F484 L485 L486S478-V482 WeakPolarHBondContact O-CG2 3.34Å; S478-V482 PolarHBondContact O-N 3.44Å; L479-V482 PolarHBondContact O-N 2.8Å; V482-F484 PolarHBondContact O-N 3.32Å; V482-L485 PolarHBondContact O-N 2.72Å; V482-L486 HydrophobicContact CG1-CD1 3.96Å; V482-L486 HydrophobicContact CG1-CG 4.45Å; V482-L486 WeakPolarHBondContact O-CG 3.5Å; V482-L486 PolarHBondContact O-N 3.37Å
483Y55Low64.4Low154 Ų15496.2 Ų96.260%0.60449%0.489SS*.Hα-helixtrans-61.7-42.4176.2-85.8-79.8000112.1L479 S480 L485 L486 I487L479-Y483 VanDerWaalsContact O-CD2 3.31Å; L479-Y483 WeakPolarHBondContact O-CD2 3.39Å; L479-Y483 PolarHBondContact O-N 3.49Å; S480-Y483 PolarHBondContact O-N 3.48Å; Y483-L485 VanDerWaalsContact C-N 3.34Å; Y483-L485 PolarHBondContact O-N 3.2Å; Y483-L486 PolarHBondContact O-N 2.92Å; Y483-I487 WeakPolarHBondContact O-CG1 3.46Å; Y483-I487 PolarHBondContact O-N 2.94Å
484F58Low61.9Low109 Ų10995.7 Ų95.748%0.47849%0.492SS..Hα-helixtrans-61.7-41.7176.5-167-100.2000111.9S480 V482 I487 L488 I523S480-F484 WeakPolarHBondContact O-CB 3.46Å; S480-F484 PolarHBondContact O-N 3.33Å; V482-F484 PolarHBondContact O-N 3.32Å; F484-I487 PolarHBondContact O-N 3.25Å; F484-L488 HydrophobicContact CD1-CD1 3.81Å; F484-L488 HydrophobicContact CE1-CD1 3.58Å; F484-L488 HydrophobicContact CE1-CG 4.35Å; F484-L488 HydrophobicContact CZ-CD1 4.38Å; F484-L488 WeakPolarHBondContact O-CG 3.43Å; F484-L488 PolarHBondContact O-N 3.36Å; F484-L488 VanDerWaalsContact O-N 3.15Å; F484-I523 HydrophobicContact CE2-CD1 4.44Å
485L56.7Low59.2Low104 Ų104104 Ų10455%0.54553%0.529SS..Hα-helixtrans-66.8-36.3175.4-75.4164.7000113.2N481 V482 Y483 K489N481-L485 WeakPolarHBondContact O-CD1 3.38Å; N481-L485 WeakPolarHBondContact O-CG 3.39Å; N481-L485 PolarHBondContact O-N 3.19Å; N481-L485 VanDerWaalsContact O-N 3.09Å; V482-L485 PolarHBondContact O-N 2.72Å; Y483-L485 VanDerWaalsContact C-N 3.34Å; Y483-L485 PolarHBondContact O-N 3.2Å; L485-K489 WeakPolarHBondContact O-CB 3.48Å; L485-K489 PolarHBondContact O-N 3.12Å
486L56Low56.7Low101 Ų101103.8 Ų103.853%0.52954%0.538SS..Hα-helixtrans-67.1-42.6176.5-76.5167.3000111.6V482 Y483 L488 K489 S490V482-L486 HydrophobicContact CG1-CD1 3.96Å; V482-L486 HydrophobicContact CG1-CG 4.45Å; V482-L486 WeakPolarHBondContact O-CG 3.5Å; V482-L486 PolarHBondContact O-N 3.37Å; Y483-L486 PolarHBondContact O-N 2.92Å; L486-L488 PolarHBondContact O-N 2.94Å; L486-K489 PolarHBondContact O-N 3.06Å; L486-S490 PolarHBondContact O-N 2.64Å; L486-S490 PolarHBondContact O-OG 3.26Å
487I57.7Low54.6Low77 Ų77105 Ų10540%0.39555%0.551SS.*Hα-helixtrans-60.6-45.8176.1-67.8167.3000110.4Y483 F484 K489 S490 D491Y483-I487 WeakPolarHBondContact O-CG1 3.46Å; Y483-I487 PolarHBondContact O-N 2.94Å; F484-I487 PolarHBondContact O-N 3.25Å; I487-K489 PolarHBondContact O-N 3.08Å; I487-S490 WeakPolarHBondContact CA-OG 3.45Å; I487-S490 PolarHBondContact O-N 3.43Å; I487-S490 PolarHBondContact O-OG 3.21Å; I487-D491 PolarHBondContact O-N 3.14Å
488L54.9Low52.8Low84 Ų84107.4 Ų107.444%0.4456%0.561SS.*Hα-helixtrans-63.2-39.8176.4-70.4173.6000112.6F484 L486 D491 V492F484-L488 HydrophobicContact CD1-CD1 3.81Å; F484-L488 HydrophobicContact CE1-CD1 3.58Å; F484-L488 HydrophobicContact CE1-CG 4.35Å; F484-L488 HydrophobicContact CZ-CD1 4.38Å; F484-L488 WeakPolarHBondContact O-CG 3.43Å; F484-L488 PolarHBondContact O-N 3.36Å; F484-L488 VanDerWaalsContact O-N 3.15Å; L486-L488 PolarHBondContact O-N 2.94Å; L488-D491 PolarHBondContact O-N 2.94Å; L488-V492 VanDerWaalsContact O-CG2 3.3Å; L488-V492 WeakPolarHBondContact O-CG2 3.39Å; L488-V492 PolarHBondContact O-N 3.47Å
489K54.1Low51.7Low158 Ų158110 Ų11069%0.68757%0.571SS**Hα-helixtrans-69.3-32.4176.6-81.1-175.4177179.60113.1L485 L486 I487L485-K489 WeakPolarHBondContact O-CB 3.48Å; L485-K489 PolarHBondContact O-N 3.12Å; L486-K489 PolarHBondContact O-N 3.06Å; I487-K489 PolarHBondContact O-N 3.08Å
490S49.6Very low50.5Low69 Ų69109.8 Ų109.848%0.48357%0.569SS.*Hα-helixtrans-70.1-40173.650.90000112.1L486 I487 V492 K493 S494L486-S490 PolarHBondContact O-N 2.64Å; L486-S490 PolarHBondContact O-OG 3.26Å; I487-S490 WeakPolarHBondContact CA-OG 3.45Å; I487-S490 PolarHBondContact O-N 3.43Å; I487-S490 PolarHBondContact O-OG 3.21Å; S490-V492 VanDerWaalsContact C-N 3.33Å; S490-V492 PolarHBondContact O-N 3.29Å; S490-K493 PolarHBondContact O-N 3.08Å; S490-S494 PolarHBondContact O-N 3.46Å; S490-S494 PolarHBondContact O-OG 3.21Å
491D48.7Very low49.7Very low63 Ų63112.8 Ų112.834%0.33758%0.58SS.*Hα-helixtrans-67.3-31.3178.5-97-29000112.8I487 L488 K493 L500I487-D491 PolarHBondContact O-N 3.14Å; L488-D491 PolarHBondContact O-N 2.94Å; D491-K493 VanDerWaalsContact C-N 3.34Å; D491-K493 PolarHBondContact O-N 3.06Å; D491-L500 VanDerWaalsContact OD2-CD1 3.25Å; D491-L500 WeakPolarHBondContact OD2-CD1 3.49Å
492V49.9Very low49Very low129 Ų129112.8 Ų112.878%0.78258%0.58SS**Hα-helixtrans-75.3-21.5177.9175.30000112.7L488 S490L488-V492 VanDerWaalsContact O-CG2 3.3Å; L488-V492 WeakPolarHBondContact O-CG2 3.39Å; L488-V492 PolarHBondContact O-N 3.47Å; S490-V492 VanDerWaalsContact C-N 3.33Å; S490-V492 PolarHBondContact O-N 3.29Å
493K47.1Very low48.3Very low197 Ų197112.8 Ų112.886%0.85758%0.577SS**Hα-helixtrans-97.4-15.7178.9-80.1-170176.9-174.90114.6S490 D491S490-K493 PolarHBondContact O-N 3.08Å; D491-K493 VanDerWaalsContact C-N 3.34Å; D491-K493 PolarHBondContact O-N 3.06Å
494S40.1Very low47.8Very low48 Ų48109.7 Ų109.734%0.33657%0.569SS.*SBendtrans-107.3107.4171.465.80000111.1S490 G496S490-S494 PolarHBondContact O-N 3.46Å; S490-S494 PolarHBondContact O-OG 3.21Å; S494-G496 PolarHBondContact O-N 2.93Å; S494-G496 VanDerWaalsContact O-N 3.08Å
495K37.8Very low47.1Very low220 Ų220114.2 Ų114.296%0.95758%0.583SS**  trans-53.3114.7156.1-73.6-179.2175.9-179.60107.9
496G37.7Very low46.6Very low43 Ų43116.3 Ų116.344%0.44359%0.59SS.*  trans134.790.5164.600000114.8S494 F498S494-G496 PolarHBondContact O-N 2.93Å; S494-G496 VanDerWaalsContact O-N 3.08Å; G496-F498 PolarHBondContact O-N 3.32Å
497T43.3Very low46Very low143 Ų143119.7 Ų119.788%0.87760%0.596SS**SBendtrans919.7133.7-23.30000122.1
498F43.4Very low45.4Very low170 Ų170126.6 Ų126.675%0.74662%0.617SS**  trans-129.3-7.1-168-129.7-95000116.1G496G496-F498 PolarHBondContact O-N 3.32Å
499I46.6Very low45.1Very low102 Ų102126.7 Ų126.752%0.52362%0.624SS.*SBendtrans-98-26.1-175.5-63.7175.8000113.1L501 N502 L503I499-L501 VanDerWaalsContact C-N 3.33Å; I499-L501 PolarHBondContact O-N 3.48Å; I499-N502 PolarHBondContact O-N 3.27Å; I499-L503 HydrophobicContact CG2-CD1 4.24Å
500L43.1Very low44.4Very low85 Ų85127.8 Ų127.845%0.44563%0.63SS.*Hα-helixtrans-65.4-30.9178.9-107.3109.1000113.9D491 M504D491-L500 VanDerWaalsContact OD2-CD1 3.25Å; D491-L500 WeakPolarHBondContact OD2-CD1 3.49Å; L500-M504 HydrophobicContact CB-CE 4.21Å; L500-M504 HydrophobicContact CD2-CE 3.64Å; L500-M504 HydrophobicContact CG-CE 4.47Å; L500-M504 VanDerWaalsContact O-CG 3.27Å; L500-M504 WeakPolarHBondContact O-CG 3.32Å; L500-M504 PolarHBondContact O-N 3.02Å
501L44.9Very low43.8Very low128 Ų128129.7 Ų129.767%0.6764%0.64SS**Hα-helixtrans-73.6-26.6-177.4-92.3151.3000113.8I499I499-L501 VanDerWaalsContact C-N 3.33Å; I499-L501 PolarHBondContact O-N 3.48Å
502N44.5Very low43.4Very low106 Ų106136.1 Ų136.157%0.56767%0.665SS**Hα-helixtrans-85.5-34.4179.1-82.6-23.2000112.7I499 M504 R505I499-N502 PolarHBondContact O-N 3.27Å; N502-M504 VanDerWaalsContact C-N 3.31Å; N502-M504 PolarHBondContact O-N 3.12Å; N502-R505 PolarHBondContact O-N 3.15Å
503L45.2Very low43.1Very low78 Ų78135.1 Ų135.141%0.40865%0.654SS.*Hα-helixtrans-64.8-34.9170.3-85.1155.7000111.8I499 R505 W507I499-L503 HydrophobicContact CG2-CD1 4.24Å; L503-R505 PolarHBondContact O-N 3.1Å; L503-W507 WeakPolarHBondContact O-CB 3.49Å; L503-W507 PolarHBondContact O-N 3.32Å
504M44.4Very low43Very low90 Ų90132.1 Ų132.144%0.44365%0.652SS.*Hα-helixtrans-64.8-19.8174.6-75.1-174.5-148.600114.3L500 N502L500-M504 HydrophobicContact CB-CE 4.21Å; L500-M504 HydrophobicContact CD2-CE 3.64Å; L500-M504 HydrophobicContact CG-CE 4.47Å; L500-M504 VanDerWaalsContact O-CG 3.27Å; L500-M504 WeakPolarHBondContact O-CG 3.32Å; L500-M504 PolarHBondContact O-N 3.02Å; N502-M504 VanDerWaalsContact C-N 3.31Å; N502-M504 PolarHBondContact O-N 3.12Å
505R44.7Very low43.3Very low203 Ų203134.7 Ų134.777%0.76667%0.666SS**Hα-helixtrans-88.7-31.4-175.5-147173.5-179.9177.2-1.2112.5N502 L503N502-R505 PolarHBondContact O-N 3.15Å; L503-R505 PolarHBondContact O-N 3.1Å
506E45.7Very low43.4Very low148 Ų148129.6 Ų129.669%0.69264%0.644SS**Hα-helixtrans-83.8-28.9175.4-68.1-163.6162.600113.1R508 S509E506-R508 VanDerWaalsContact C-N 3.29Å; E506-R508 PolarHBondContact O-N 2.95Å; E506-S509 PolarHBondContact O-N 3.48Å; E506-S509 PolarHBondContact O-OG 3.27Å
507W43.4Very low43.5Very low173 Ų173137.8 Ų137.866%0.65566%0.661SS**G310 helixtrans-77.8-9.5-177.7-77.663000114.6L503 S509L503-W507 WeakPolarHBondContact O-CB 3.49Å; L503-W507 PolarHBondContact O-N 3.32Å; W507-S509 PolarHBondContact O-N 3.36Å
508R45.4Very low43.5Very low221 Ų221134.2 Ų134.283%0.83465%0.646SS**G310 helixtrans-74-3.6172-77.2-178.3-177.1-168.31.5113.7E506E506-R508 VanDerWaalsContact C-N 3.29Å; E506-R508 PolarHBondContact O-N 2.95Å
509S46.9Very low43.7Very low86 Ų86130.6 Ų130.660%0.60163%0.634SS**G310 helixtrans-91.1-2.4-176.364.60000115.2E506 W507 P511E506-S509 PolarHBondContact O-N 3.48Å; E506-S509 PolarHBondContact O-OG 3.27Å; W507-S509 PolarHBondContact O-N 3.36Å; S509-P511 VanDerWaalsContact O-CD 3.31Å; S509-P511 WeakPolarHBondContact O-CD 3.41Å
510F41Very low43.7Very low182 Ų182132.7 Ų132.780%0.79864%0.639SS**  trans-100.1107.4178.3-87.9-87.7000112.4
511P37.3Very low43.9Very low109 Ų109136.4 Ų136.471%0.70865%0.652SS**  trans-83.1140.7173.433.9-30.3000110S509S509-P511 VanDerWaalsContact O-CD 3.31Å; S509-P511 WeakPolarHBondContact O-CD 3.41Å
512K38.4Very low44.2Very low198 Ų198134.1 Ų134.186%0.86165%0.647SS**  trans88.363.4164.7-50.6177.9178.4-1800118.6
513I44.5Very low44.6Very low107 Ų107132 Ų13255%0.54964%0.635SS.*  trans-140.7105.5151.8-52.6176.3000110.7V515 F516I513-V515 HydrophobicContact CG2-CB 3.81Å; I513-V515 HydrophobicContact CG2-CG2 4.22Å; I513-V515 PolarHBondContact O-N 3.47Å; I513-F516 HydrophobicContact CB-CD2 3.72Å; I513-F516 HydrophobicContact CB-CE2 4.35Å; I513-F516 HydrophobicContact CD1-CD2 4.03Å; I513-F516 HydrophobicContact CD1-CE2 3.78Å; I513-F516 HydrophobicContact CG1-CD2 4.45Å; I513-F516 HydrophobicContact CG2-CD2 3.55Å; I513-F516 HydrophobicContact CG2-CE2 4.09Å; I513-F516 PolarHBondContact O-N 3.03Å
514V45.4Very low44.9Very low135 Ų135131.6 Ų131.682%0.81864%0.639SS**THydrogen-bonded Turntrans-62.2-25.4177.9173.40000112.3F516 R517V514-F516 VanDerWaalsContact C-N 3.28Å; V514-F516 PolarHBondContact O-N 3.21Å; V514-R517 PolarHBondContact O-N 3.41Å
515V46Very low45.2Very low102 Ų102132.9 Ų132.962%0.61865%0.647SS**Hα-helixtrans-66.3-26.5178.6-176.20000112.7I513I513-V515 HydrophobicContact CG2-CB 3.81Å; I513-V515 HydrophobicContact CG2-CG2 4.22Å; I513-V515 PolarHBondContact O-N 3.47Å
516F40.3Very low45.4Very low113 Ų113131.6 Ų131.650%0.49664%0.643SS.*Hα-helixtrans-77.2-23.5-177.7-87-92.2000114.1I513 V514 A518 F520I513-F516 HydrophobicContact CB-CD2 3.72Å; I513-F516 HydrophobicContact CB-CE2 4.35Å; I513-F516 HydrophobicContact CD1-CD2 4.03Å; I513-F516 HydrophobicContact CD1-CE2 3.78Å; I513-F516 HydrophobicContact CG1-CD2 4.45Å; I513-F516 HydrophobicContact CG2-CD2 3.55Å; I513-F516 HydrophobicContact CG2-CE2 4.09Å; I513-F516 PolarHBondContact O-N 3.03Å; V514-F516 VanDerWaalsContact C-N 3.28Å; V514-F516 PolarHBondContact O-N 3.21Å; F516-A518 VanDerWaalsContact C-N 3.33Å; F516-A518 PolarHBondContact O-N 2.91Å; F516-F520 PolarHBondContact O-N 3.48Å
517R39.3Very low45.7Very low215 Ų215128.3 Ų128.381%0.81163%0.63SS**Hα-helixtrans-68.4-29.5178.3-86.3-177173.1177.3-1.8113.3V514 K521V514-R517 PolarHBondContact O-N 3.41Å; R517-K521 PolarHBondContact O-N 3.27Å
518A43.8Very low46.2Very low67 Ų67123.8 Ų123.855%0.55462%0.621SS**Hα-helixtrans-76.3-39.9178.500000112.1F516 F520 K521 S522F516-A518 VanDerWaalsContact C-N 3.33Å; F516-A518 PolarHBondContact O-N 2.91Å; A518-F520 VanDerWaalsContact C-N 3.35Å; A518-K521 PolarHBondContact O-N 3.29Å; A518-S522 PolarHBondContact O-N 2.92Å
519L46.3Very low46.4Very low95 Ų95119.6 Ų119.650%0.49761%0.61SS.*Hα-helixtrans-62-41.9171.6-95.1133.3000111.4K521 S522 I523L519-K521 VanDerWaalsContact C-N 3.35Å; L519-K521 PolarHBondContact O-N 2.95Å; L519-S522 PolarHBondContact O-N 3.27Å; L519-I523 HydrophobicContact CD2-CD1 4.29Å; L519-I523 WeakPolarHBondContact O-CB 3.46Å; L519-I523 WeakPolarHBondContact O-CD1 3.38Å; L519-I523 VanDerWaalsContact O-CG1 3.22Å; L519-I523 WeakPolarHBondContact O-CG1 3.28Å; L519-I523 PolarHBondContact O-N 3.15Å
520F47.1Very low46.6Very low145 Ų145119.3 Ų119.364%0.63660%0.601SS**Hα-helixtrans-61.8-38.6178.8-130.1-90.6000113.2F516 A518 S524F516-F520 PolarHBondContact O-N 3.48Å; A518-F520 VanDerWaalsContact C-N 3.35Å; F520-S524 WeakPolarHBondContact O-CB 3.44Å; F520-S524 PolarHBondContact O-N 3.36Å
521K48.3Very low46.9Very low163 Ų163117.9 Ų117.971%0.70960%0.595SS**Hα-helixtrans-68.5-41.5176.2-85.3-173.6173.9-1750112.6R517 A518 L519 L525R517-K521 PolarHBondContact O-N 3.27Å; A518-K521 PolarHBondContact O-N 3.29Å; L519-K521 VanDerWaalsContact C-N 3.35Å; L519-K521 PolarHBondContact O-N 2.95Å; K521-L525 PolarHBondContact O-N 3.47Å
522S50.4Low47.5Very low81 Ų81118.5 Ų118.557%0.56659%0.592SS**Hα-helixtrans-68.7-38.1178.8-66.80000112.3A518 L519 L525 Y526A518-S522 PolarHBondContact O-N 2.92Å; L519-S522 PolarHBondContact O-N 3.27Å; S522-L525 PolarHBondContact O-N 2.88Å; S522-Y526 PolarHBondContact O-N 3.14Å
523I54.1Low48Very low60 Ų60113.4 Ų113.431%0.30858%0.581SS.*Hα-helixtrans-68.7-40.8177.6-66.9165.1000110.9F484 L519 L525 Y526 I527F484-I523 HydrophobicContact CE2-CD1 4.44Å; L519-I523 HydrophobicContact CD2-CD1 4.29Å; L519-I523 WeakPolarHBondContact O-CB 3.46Å; L519-I523 WeakPolarHBondContact O-CD1 3.38Å; L519-I523 VanDerWaalsContact O-CG1 3.22Å; L519-I523 WeakPolarHBondContact O-CG1 3.28Å; L519-I523 PolarHBondContact O-N 3.15Å; I523-L525 VanDerWaalsContact C-N 3.3Å; I523-L525 PolarHBondContact O-N 3.08Å; I523-Y526 PolarHBondContact O-N 3.01Å; I523-I527 HydrophobicContact CG2-CD1 3.66Å; I523-I527 HydrophobicContact CG2-CG1 4.32Å; I523-I527 WeakPolarHBondContact O-CG1 3.39Å; I523-I527 PolarHBondContact O-N 2.86Å
524S50.2Low48.4Very low70 Ų70115 Ų11549%0.4959%0.589SS.*Hα-helixtrans-61.2-37.4175.7-171.50000112.4F520 V528F520-S524 WeakPolarHBondContact O-CB 3.44Å; F520-S524 PolarHBondContact O-N 3.36Å; S524-V528 WeakPolarHBondContact O-CG2 3.29Å; S524-V528 PolarHBondContact O-N 2.82Å
525L50.2Low48.4Very low117 Ų117115.7 Ų115.761%0.61360%0.6SS**Hα-helixtrans-71.9-38.2176-86.1154000112.5K521 S522 I523 H529K521-L525 PolarHBondContact O-N 3.47Å; S522-L525 PolarHBondContact O-N 2.88Å; I523-L525 VanDerWaalsContact C-N 3.3Å; I523-L525 PolarHBondContact O-N 3.08Å; L525-H529 PolarHBondContact O-N 3.23Å
526Y50.1Low48.5Very low177 Ų177116.4 Ų116.469%0.69460%0.599SS**Hα-helixtrans-70.1-38.7-180-137.7-95.2000112.3S522 I523 H529 I530S522-Y526 PolarHBondContact O-N 3.14Å; I523-Y526 PolarHBondContact O-N 3.01Å; Y526-H529 PolarHBondContact O-N 3.33Å; Y526-I530 HydrophobicContact CD1-CD1 3.78Å; Y526-I530 HydrophobicContact CD1-CG1 4.46Å; Y526-I530 HydrophobicContact CE1-CD1 4.15Å; Y526-I530 WeakPolarHBondContact O-CG1 3.15Å; Y526-I530 PolarHBondContact O-N 3.15Å; Y526-I530 VanDerWaalsContact O-N 3.08Å
527I52Low49Very low79 Ų79116.5 Ų116.541%0.40561%0.605SS.*Hα-helixtrans-67.9-42.3176.4-67.2171.9000110.5I523 H529 I530 F531I523-I527 HydrophobicContact CG2-CD1 3.66Å; I523-I527 HydrophobicContact CG2-CG1 4.32Å; I523-I527 WeakPolarHBondContact O-CG1 3.39Å; I523-I527 PolarHBondContact O-N 2.86Å; I527-H529 VanDerWaalsContact C-N 3.3Å; I527-H529 PolarHBondContact O-N 2.85Å; I527-I530 PolarHBondContact O-N 2.78Å; I527-F531 HydrophobicContact CG2-CD2 3.75Å; I527-F531 HydrophobicContact CG2-CE2 3.87Å; I527-F531 WeakPolarHBondContact O-CD2 3.39Å; I527-F531 PolarHBondContact O-N 3.4Å
528V53.9Low49.5Very low78 Ų78111.1 Ų111.147%0.47359%0.593SS.*Hα-helixtrans-62-38.2175.5170.70000111.4S524 L532S524-V528 WeakPolarHBondContact O-CG2 3.29Å; S524-V528 PolarHBondContact O-N 2.82Å; V528-L532 HydrophobicContact CG1-CD1 3.73Å; V528-L532 WeakPolarHBondContact O-CB 3.25Å; V528-L532 WeakPolarHBondContact O-CD1 3.34Å; V528-L532 WeakPolarHBondContact O-CG 3.37Å; V528-L532 PolarHBondContact O-N 2.87Å; V528-L532 VanDerWaalsContact O-N 3.09Å
529H49.3Very low49.8Very low133 Ų133113.6 Ų113.662%0.61660%0.595SS**Hα-helixtrans-67.4-38176.3-105.8-64.5000113.8L525 Y526 I527 S533L525-H529 PolarHBondContact O-N 3.23Å; Y526-H529 PolarHBondContact O-N 3.33Å; I527-H529 VanDerWaalsContact C-N 3.3Å; I527-H529 PolarHBondContact O-N 2.85Å; H529-S533 PolarHBondContact O-N 2.88Å; H529-S533 PolarHBondContact O-OG 3.28Å
530I51.2Low50Low80 Ų80114.8 Ų114.841%0.4160%0.601SS.*Hα-helixtrans-70.3-39.1177.9-69169000111.1Y526 I527 S533 I534Y526-I530 HydrophobicContact CD1-CD1 3.78Å; Y526-I530 HydrophobicContact CD1-CG1 4.46Å; Y526-I530 HydrophobicContact CE1-CD1 4.15Å; Y526-I530 WeakPolarHBondContact O-CG1 3.15Å; Y526-I530 PolarHBondContact O-N 3.15Å; Y526-I530 VanDerWaalsContact O-N 3.08Å; I527-I530 PolarHBondContact O-N 2.78Å; I530-S533 PolarHBondContact O-N 3.45Å; I530-S533 PolarHBondContact O-OG 3.24Å; I530-I534 HydrophobicContact CG2-CD1 3.7Å; I530-I534 WeakPolarHBondContact O-CG1 3.37Å; I530-I534 PolarHBondContact O-N 3.27Å
531F46.5Very low50.2Low151 Ų151112.8 Ų112.866%0.66260%0.599SS**Hα-helixtrans-69.1-33.6176.3-88.2-82.1000112.8I527 S533 S535I527-F531 HydrophobicContact CG2-CD2 3.75Å; I527-F531 HydrophobicContact CG2-CE2 3.87Å; I527-F531 WeakPolarHBondContact O-CD2 3.39Å; I527-F531 PolarHBondContact O-N 3.4Å; F531-S533 VanDerWaalsContact C-N 3.3Å; F531-S533 PolarHBondContact O-N 2.9Å; F531-S535 PolarHBondContact O-OG 2.84Å
532L50.3Low50.4Low123 Ų123109.2 Ų109.264%0.64459%0.591SS**THydrogen-bonded Turntrans-76.5-10.2175.9-75.3166.8000114.6V528V528-L532 HydrophobicContact CG1-CD1 3.73Å; V528-L532 WeakPolarHBondContact O-CB 3.25Å; V528-L532 WeakPolarHBondContact O-CD1 3.34Å; V528-L532 WeakPolarHBondContact O-CG 3.37Å; V528-L532 PolarHBondContact O-N 2.87Å; V528-L532 VanDerWaalsContact O-N 3.09Å
533S49.7Very low50.4Low91 Ų91111.4 Ų111.464%0.63659%0.593SS**THydrogen-bonded Turntrans-108.82.317840.80000113.8H529 I530 F531H529-S533 PolarHBondContact O-N 2.88Å; H529-S533 PolarHBondContact O-OG 3.28Å; I530-S533 PolarHBondContact O-N 3.45Å; I530-S533 PolarHBondContact O-OG 3.24Å; F531-S533 VanDerWaalsContact C-N 3.3Å; F531-S533 PolarHBondContact O-N 2.9Å
534I52.4Low50.1Low139 Ų139115.7 Ų115.771%0.71362%0.617SS**THydrogen-bonded Turntrans-119.9-2.5178.5-61.6173.8000111.8I530I530-I534 HydrophobicContact CG2-CD1 3.7Å; I530-I534 WeakPolarHBondContact O-CG1 3.37Å; I530-I534 PolarHBondContact O-N 3.27Å
535S44.9Very low50.1Low150 Ų150119.8 Ų119.8100%1.04963%0.629SS**  trans-107.30166.534.20000110.4F531F531-S535 PolarHBondContact O-OG 2.84Å

Retrieved 535 of 535 residues in 610 ms (Link to these results)

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