A0A096NIV5_PAPAN Loading...

Isoamyl acetate-hydrolyzing esterase 1 homolog

Probable lipase.

AlphaFold DB , UniProt , Accession A0A096NIV5, Species PAPAN (Papio anubis, Olive baboon), Gene IAH1, Length 248 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
1M29.9Very low42Very low240 Ų240109.9 Ų109.9100%1.18274%0.739SS**  0105.10-77.3-164.7-81.500107.3L3M1-L3 PolarHBondContact O-N 2.68Å
2A32.3Very low44.7Very low97 Ų97107.6 Ų107.680%0.80273%0.734SS**  trans-69.8123.8171.100000107.4C4A2-C4 PolarHBondContact O-N 3.23Å
3L33.4Very low47.4Very low154 Ų154104.9 Ų104.981%0.80671%0.707SS**  trans-67.7118.6169.9-86.3151.5000107M1 E5M1-L3 PolarHBondContact O-N 2.68Å; L3-E5 PolarHBondContact O-N 3.14Å; L3-E5 VanDerWaalsContact O-N 3.17Å
4C36.7Very low50Low126 Ų126102.9 Ų102.985%0.85169%0.685SS**  trans-62.3112.6169.1-78.90000108.1A2 A6A2-C4 PolarHBondContact O-N 3.23Å; C4-A6 PolarHBondContact O-N 2.98Å
5E46.8Very low52.6Low112 Ų112101.9 Ų101.952%0.52366%0.662SS.*  trans-66.9122.4160.7-75.7-176.2156.500107.6L3 A7L3-E5 PolarHBondContact O-N 3.14Å; L3-E5 VanDerWaalsContact O-N 3.17Å; E5-A7 PolarHBondContact O-N 3.45Å
6A41.1Very low55.2Low114 Ų11497.1 Ų97.194%0.94263%0.631SS**  trans-68.382.6168.400000108.8C4C4-A6 PolarHBondContact O-N 2.98Å
7A44.4Very low57.5Low56 Ų5695.6 Ų95.646%0.46361%0.61SS.*  trans-110.4115.8171.500000108.2E5E5-A7 PolarHBondContact O-N 3.45Å
8G40.5Very low59.7Low47 Ų4790.3 Ų90.349%0.48558%0.576SS.*  trans-60.2148.1173.900000111.2G10 S11G8-G10 PolarHBondContact O-N 3.33Å; G8-G10 VanDerWaalsContact O-N 3.07Å; G8-S11 PolarHBondContact O-N 3.19Å; G8-S11 PolarHBondContact O-OG 3.04Å
9C41.7Very low61.8Low108 Ų10885.9 Ų85.973%0.7355%0.547SS*.THydrogen-bonded Turntrans-49.3116.3177.6-171.60000110.9
10G53Low63.6Low80 Ų8081.7 Ų81.783%0.82552%0.52SS*.THydrogen-bonded Turntrans103.10.4174.600000117.5G8G8-G10 PolarHBondContact O-N 3.33Å; G8-G10 VanDerWaalsContact O-N 3.07Å
11S62.5Low65.3Low75 Ų7577.8 Ų77.852%0.52450%0.495SS..PPolyproline II helixtrans-82137.8171.461.80000112G8 L13G8-S11 PolarHBondContact O-N 3.19Å; G8-S11 PolarHBondContact O-OG 3.04Å; S11-L13 PolarHBondContact O-N 3.32Å
12A73.4Confident68.6Low82 Ų8266.3 Ų66.368%0.67844%0.439SS*.PPolyproline II helixtrans-57136.9176.200000111.4L14A12-L14 PolarHBondContact O-N 3.46Å
13L80.7Confident71.7Confident73 Ų7361.8 Ų61.838%0.38240%0.401SS..PPolyproline II helixtrans-65.1123172.4-171.374000109.1S11 L226 L227S11-L13 PolarHBondContact O-N 3.32Å; L13-L226 HydrophobicContact CD2-CB 4.27Å; L13-L226 HydrophobicContact CD2-CD1 4.46Å; L13-L227 HydrophobicContact CD2-CD1 4.22Å; L13-L227 HydrophobicContact CD2-CD2 4.24Å; L13-L227 HydrophobicContact CD2-CG 3.99Å
14L83.2Confident74.9Confident76 Ų7654.5 Ų54.540%0.39836%0.363SS..PPolyproline II helixtrans-99.1124.8-176.6-72.1156.1000109.8A12 P16 L76A12-L14 PolarHBondContact O-N 3.46Å; L14-P16 WeakPolarHBondContact O-CD 3.32Å; L14-L76 HydrophobicContact CD1-CB 3.67Å; L14-L76 HydrophobicContact CD1-CD1 3.49Å; L14-L76 VanDerWaalsContact CD1-CD1 3.49Å; L14-L76 HydrophobicContact CD1-CD2 3.92Å; L14-L76 HydrophobicContact CD1-CG 3.84Å
15W89.8Confident77.8Confident88 Ų8848.8 Ų48.833%0.33332%0.324SS..PPolyproline II helixtrans-89.2123.9177.4-71.668000108.8R17 D48 L226W15-R17 VanDerWaalsContact O-CG 3.27Å; W15-R17 WeakPolarHBondContact O-CG 3.46Å; W15-D48 HydrophobicContact CB-CB 4.37Å; W15-D48 WeakPolarHBondContact CB-OD2 3.36Å; W15-L226 HydrophobicContact CB-CD1 4.48Å; W15-L226 HydrophobicContact CD2-CD1 3.45Å; W15-L226 VanDerWaalsContact CD2-CD1 3.45Å; W15-L226 HydrophobicContact CE3-CD1 3.65Å; W15-L226 HydrophobicContact CG-CD1 3.87Å; W15-L226 HydrophobicContact CH2-CD1 4.29Å; W15-L226 HydrophobicContact CZ2-CD1 4.1Å; W15-L226 HydrophobicContact CZ3-CD1 4.07Å
16P93.4Very high80.3Confident26 Ų2643.5 Ų43.517%0.16930%0.299CS..PPolyproline II helixtrans-50.7146.8162.9-25.634.7000110.2L14 K46 C47 D48 V80 L223L14-P16 WeakPolarHBondContact O-CD 3.32Å; P16-K46 WeakPolarHBondContact CD-O 3.48Å; P16-C47 VanDerWaalsContact C-SG 3.57Å; P16-C47 HydrophobicContact CB-CB 4.38Å; P16-C47 CarbonylContact O-C 3.58Å; P16-C47 VanDerWaalsContact O-CA 3.27Å; P16-C47 WeakPolarHBondContact O-CA 3.35Å; P16-C47 PolarHBondContact O-SG 3.42Å; P16-D48 PolarHBondContact O-N 2.72Å; P16-V80 HydrophobicContact CB-CG1 3.88Å; P16-V80 HydrophobicContact CB-CG2 4.48Å; P16-L223 HydrophobicContact CB-CD1 3.74Å; P16-L223 HydrophobicContact CB-CD2 4.17Å; P16-L223 HydrophobicContact CG-CD1 4.09Å; P16-L223 HydrophobicContact CG-CD2 3.94Å
17R94.8Very high83Confident72 Ų7241.9 Ų41.927%0.27227%0.272SS..EExtended strand (participates in β ladder)trans-125.1131.7-173.5-55.6-170.8-72.7-160.6-4.9112.4W15 C47 D48 L50 D77 P79 V80W15-R17 VanDerWaalsContact O-CG 3.27Å; W15-R17 WeakPolarHBondContact O-CG 3.46Å; R17-C47 VanDerWaalsContact C-SG 3.58Å; R17-D48 CarbonylContact C-O 3.57Å; R17-D48 WeakPolarHBondContact CA-O 3.34Å; R17-D48 HydrophobicContact CG-CB 4.4Å; R17-L50 HydrophobicContact CB-CD1 4.43Å; R17-D77 IonicContact CZ-OD1 3.76Å; R17-D77 IonicContact NH1-OD1 3.54Å; R17-D77 VanDerWaalsContact NH2-C 3.3Å; R17-D77 VanDerWaalsContact NH2-CG 3.3Å; R17-D77 PolarHBondContact NH2-O 2.81Å; R17-D77 IonicContact NH2-OD1 2.64Å; R17-D77 PolarHBondContact NH2-OD1 2.81Å; R17-P79 CarbonylContact O-C 3.6Å; R17-P79 WeakPolarHBondContact O-CA 3.06Å; R17-P79 WeakPolarHBondContact O-CB 3.11Å; R17-V80 WeakPolarHBondContact O-CG2 3.45Å; R17-V80 PolarHBondContact O-N 3.38Å
18L97.7Very high85.6Confident0 Ų042.2 Ų42.20%026%0.263CS..EExtended strand (participates in β ladder)trans-101.9116.616516757.6000107.7L20 L39 L43 C47 D48 V49 L50 A81 I216L18-L20 HydrophobicContact CD1-CD2 4.1Å; L18-L20 HydrophobicContact CD2-CD2 4.22Å; L18-L20 HydrophobicContact CG-CD2 3.91Å; L18-L39 HydrophobicContact CD2-CD1 4.1Å; L18-L43 HydrophobicContact CD2-CD1 3.9Å; L18-C47 PolarHBondContact N-SG 3.39Å; L18-D48 PolarHBondContact N-O 3Å; L18-V49 HydrophobicContact CB-CG2 4.4Å; L18-V49 HydrophobicContact CD2-CG1 4.32Å; L18-V49 HydrophobicContact CD2-CG2 4.17Å; L18-V49 HydrophobicContact CG-CG1 4.39Å; L18-V49 CarbonylContact O-C 3.56Å; L18-V49 WeakPolarHBondContact O-CA 3.5Å; L18-L50 PolarHBondContact O-N 3.32Å; L18-A81 HydrophobicContact CD1-CB 3.67Å; L18-I216 HydrophobicContact CD1-CD1 3.64Å; L18-I216 HydrophobicContact CD2-CD1 4Å; L18-I216 HydrophobicContact CD2-CG1 4.49Å; L18-I216 HydrophobicContact CD2-CG2 3.94Å
19L98.2Very high88.4Confident7 Ų740 Ų404%0.03724%0.24CC..EExtended strand (participates in β ladder)trans-97.3128.1177.7-169.476.8000110.9L50 R52 I70 A81 V82 T83L19-L50 HydrophobicContact CD1-CB 3.64Å; L19-L50 HydrophobicContact CD1-CD1 4.22Å; L19-R52 HydrophobicContact CD1-CB 4.37Å; L19-R52 HydrophobicContact CD1-CG 3.57Å; L19-R52 HydrophobicContact CG-CG 4.38Å; L19-I70 HydrophobicContact CD2-CD1 3.21Å; L19-I70 HydrophobicContact CD2-CG1 3.6Å; L19-A81 PolarHBondContact N-O 3.28Å; L19-V82 HydrophobicContact CB-CG1 4.38Å; L19-V82 HydrophobicContact CB-CG2 4.22Å; L19-V82 HydrophobicContact CD2-CG1 4.24Å; L19-V82 CarbonylContact O-C 3.57Å; L19-V82 WeakPolarHBondContact O-CA 3.32Å; L19-T83 PolarHBondContact O-N 3.34Å
20L98.9Very high91.1Very high0 Ų039 Ų390%022%0.224CC..EExtended strand (participates in β ladder)trans-102.3106.7172.7-47.4-177.6000109.1L18 T26 F30 W35 L39 V49 L50 R52 T83L18-L20 HydrophobicContact CD1-CD2 4.1Å; L18-L20 HydrophobicContact CD2-CD2 4.22Å; L18-L20 HydrophobicContact CG-CD2 3.91Å; L20-T26 HydrophobicContact CB-CG2 3.8Å; L20-T26 WeakPolarHBondContact O-CG2 3.46Å; L20-F30 HydrophobicContact CD1-CE2 3.96Å; L20-W35 HydrophobicContact CB-CH2 4.06Å; L20-W35 HydrophobicContact CD1-CE3 4.33Å; L20-W35 HydrophobicContact CD1-CH2 3.76Å; L20-W35 HydrophobicContact CD1-CZ3 3.66Å; L20-W35 HydrophobicContact CD2-CH2 3.94Å; L20-W35 HydrophobicContact CD2-CZ3 3.71Å; L20-W35 HydrophobicContact CG-CH2 4.13Å; L20-W35 HydrophobicContact CG-CZ3 4.18Å; L20-L39 HydrophobicContact CD1-CD1 4.44Å; L20-L39 HydrophobicContact CD2-CD1 4.09Å; L20-V49 HydrophobicContact CD1-CG1 3.65Å; L20-V49 HydrophobicContact CD2-CG1 4.32Å; L20-V49 HydrophobicContact CG-CG1 3.88Å; L20-L50 PolarHBondContact N-O 3.25Å; L20-R52 CarbonylContact O-C 3.25Å; L20-R52 WeakPolarHBondContact O-CA 3.33Å; L20-R52 WeakPolarHBondContact O-CB 3.3Å; L20-R52 PolarHBondContact O-N 3.19Å; L20-T83 WeakPolarHBondContact CA-OG1 3.45Å; L20-T83 HydrophobicContact CD2-CG2 4.03Å
21F98.9Very high93.2Very high0 Ų040.8 Ų40.80%021%0.211CC..EExtended strand (participates in β ladder)trans-112.7123.4-178.4-175.2-130.3000111.3R52 F54 A62 I65 L66 L69 T83 I84 F85 F86 M114F21-R52 HydrophobicContact CD2-CB 4.08Å; F21-R52 WeakPolarHBondContact CD2-O 3.38Å; F21-F54 HydrophobicContact CD2-CE2 4.21Å; F21-F54 HydrophobicContact CE2-CD2 4.15Å; F21-F54 AromaticContact CE2-CE2 3.85Å; F21-F54 HydrophobicContact CE2-CE2 3.85Å; F21-A62 HydrophobicContact CE1-CB 4.03Å; F21-A62 HydrophobicContact CZ-CB 3.77Å; F21-A62 WeakPolarHBondContact CZ-O 3.41Å; F21-I65 HydrophobicContact CE2-CD1 3.9Å; F21-I65 HydrophobicContact CE2-CG1 4.14Å; F21-I65 HydrophobicContact CZ-CD1 4.18Å; F21-I65 HydrophobicContact CZ-CG1 3.99Å; F21-L66 HydrophobicContact CD1-CD1 4Å; F21-L66 HydrophobicContact CE1-CB 4.04Å; F21-L66 HydrophobicContact CE1-CD1 3.88Å; F21-L66 HydrophobicContact CE1-CD2 4.42Å; F21-L66 HydrophobicContact CE1-CG 4.34Å; F21-L66 HydrophobicContact CZ-CB 4.14Å; F21-L66 HydrophobicContact CZ-CD1 4.36Å; F21-L69 HydrophobicContact CD2-CD1 3.91Å; F21-L69 HydrophobicContact CE2-CD1 3.54Å; F21-L69 HydrophobicContact CZ-CD1 4.37Å; F21-T83 WeakPolarHBondContact CA-O 3.35Å; F21-T83 WeakPolarHBondContact CB-O 3.45Å; F21-T83 PolarHBondContact N-O 2.64Å; F21-I84 HydrophobicContact CD1-CG1 4.49Å; F21-I84 CarbonylContact O-C 3.48Å; F21-I84 WeakPolarHBondContact O-CA 3.42Å; F21-F85 PolarHBondContact O-N 2.93Å; F21-F86 AromaticContact CD1-CE2 3.77Å; F21-F86 HydrophobicContact CD1-CE2 3.77Å; F21-F86 HydrophobicContact CD1-CZ 4.48Å; F21-F86 HydrophobicContact CD2-CE2 4.46Å; F21-F86 HydrophobicContact CD2-CZ 4.46Å; F21-F86 AromaticContact CE1-CE2 3.68Å; F21-F86 HydrophobicContact CE1-CE2 3.68Å; F21-F86 HydrophobicContact CE1-CZ 4.18Å; F21-F86 HydrophobicContact CE2-CE2 4.36Å; F21-F86 HydrophobicContact CE2-CZ 4.14Å; F21-F86 HydrophobicContact CG-CE2 4.17Å; F21-F86 AromaticContact CZ-CE2 3.99Å; F21-F86 HydrophobicContact CZ-CE2 3.99Å; F21-F86 AromaticContact CZ-CZ 4Å; F21-F86 HydrophobicContact CZ-CZ 4Å; F21-M114 HydrophobicContact CE1-SD 3.71Å
22G98.9Very high94.8Very high0 Ų046.9 Ų46.90%023%0.231CC..EExtended strand (participates in β ladder)trans-178.2-162.6-174.400000114.6T26 R52 G53 F54 F85 F86G22-T26 WeakPolarHBondContact CA-OG1 3.5Å; G22-R52 PolarHBondContact N-O 2.79Å; G22-G53 CarbonylContact O-C 3.58Å; G22-G53 VanDerWaalsContact O-CA 3.3Å; G22-G53 WeakPolarHBondContact O-CA 3.24Å; G22-F54 PolarHBondContact O-N 3Å; G22-F85 WeakPolarHBondContact CA-O 3.25Å; G22-F86 VanDerWaalsContact CA-CE2 3.45Å; G22-F86 WeakPolarHBondContact O-CE1 3.49Å; G22-F86 WeakPolarHBondContact O-CZ 3.35Å
23D98.8Very high95.7Very high1 Ų145.2 Ų45.21%0.00522%0.221CC..SBendtrans-94.3-146.5179.662.528.9000113.2I25 T26 Q27 G53 F54 F85 F86 N89D23-I25 VanDerWaalsContact C-N 3.28Å; D23-I25 PolarHBondContact O-N 2.89Å; D23-I25 PolarHBondContact OD1-N 2.89Å; D23-T26 PolarHBondContact O-N 3.12Å; D23-Q27 PolarHBondContact O-N 3.21Å; D23-G53 WeakPolarHBondContact O-CA 3.28Å; D23-F54 CarbonylContact C-O 3.41Å; D23-F54 VanDerWaalsContact CA-O 3.28Å; D23-F54 WeakPolarHBondContact CA-O 3.36Å; D23-F54 PolarHBondContact O-N 3.2Å; D23-F85 PolarHBondContact N-O 3.43Å; D23-F86 HydrophobicContact CB-CD1 4.06Å; D23-F86 HydrophobicContact CB-CE1 4.12Å; D23-N89 WeakPolarHBondContact CB-ND2 3.23Å
24S98.8Very high96.6Very high2 Ų241.8 Ų41.81%0.01420%0.204CC..Hα-helixtrans-60.1-35.317848.80000112.9T26 Q27 F28 S55 H199S24-T26 PolarHBondContact O-N 2.71Å; S24-Q27 PolarHBondContact O-N 3.02Å; S24-Q27 VanDerWaalsContact O-N 3.1Å; S24-F28 WeakPolarHBondContact O-CB 3.41Å; S24-F28 VanDerWaalsContact O-CD2 3.3Å; S24-F28 WeakPolarHBondContact O-CD2 3.43Å; S24-F28 VanDerWaalsContact O-CG 3.29Å; S24-F28 WeakPolarHBondContact O-CG 3.46Å; S24-F28 PolarHBondContact O-N 2.71Å; S24-S55 WeakPolarHBondContact CB-OG 3.41Å; S24-H199 VanDerWaalsContact CB-NE2 3.3Å; S24-H199 WeakPolarHBondContact CB-NE2 3.32Å; S24-H199 PolarHBondContact OG-CD2 2.69Å; S24-H199 PolarHBondContact OG-NE2 3.44Å
25I98.8Very high97.3Very high6 Ų638.1 Ų38.13%0.03119%0.185CC..Hα-helixtrans-65.3-34.7179.8-55.9174000110.1D23 S29 W35 F85 A88 T134 L200D23-I25 VanDerWaalsContact C-N 3.28Å; D23-I25 PolarHBondContact O-N 2.89Å; D23-I25 PolarHBondContact OD1-N 2.89Å; I25-S29 PolarHBondContact O-N 3.38Å; I25-W35 PolarHBondContact O-NE1 3.45Å; I25-F85 HydrophobicContact CB-CE1 4.11Å; I25-F85 HydrophobicContact CD1-CZ 4.32Å; I25-F85 HydrophobicContact CG2-CD1 4.29Å; I25-F85 HydrophobicContact CG2-CE1 3.47Å; I25-F85 VanDerWaalsContact CG2-CE1 3.47Å; I25-F85 HydrophobicContact CG2-CZ 3.97Å; I25-A88 HydrophobicContact CD1-CB 4.29Å; I25-T134 HydrophobicContact CD1-CG2 4.22Å; I25-L200 HydrophobicContact CG2-CD1 3.57Å; I25-L200 HydrophobicContact CG2-CG 3.84Å
26T98.9Very high97.7Very high0 Ų034 Ų340%017%0.169CC..Hα-helixtrans-76.4-39.7171-61.20000111.5L20 G22 D23 S24 F28 S29 W35 N51L20-T26 HydrophobicContact CB-CG2 3.8Å; L20-T26 WeakPolarHBondContact O-CG2 3.46Å; G22-T26 WeakPolarHBondContact CA-OG1 3.5Å; D23-T26 PolarHBondContact O-N 3.12Å; S24-T26 PolarHBondContact O-N 2.71Å; T26-F28 VanDerWaalsContact C-N 3.28Å; T26-F28 PolarHBondContact O-N 3.44Å; T26-S29 WeakPolarHBondContact O-CB 3.27Å; T26-S29 PolarHBondContact O-N 3.39Å; T26-S29 VanDerWaalsContact O-N 3.1Å; T26-S29 PolarHBondContact O-OG 3.17Å; T26-W35 HydrophobicContact CG2-CZ2 4.27Å; T26-N51 PolarHBondContact O-ND2 2.64Å; T26-N51 PolarHBondContact O-OD1 2.95Å
27Q98.8Very high98Very high80 Ų8034.3 Ų34.337%0.37417%0.174SC..Hα-helixtrans-59.7-42.5-179-170-179.5-61.900111D23 S24 S29 N51D23-Q27 PolarHBondContact O-N 3.21Å; S24-Q27 PolarHBondContact O-N 3.02Å; S24-Q27 VanDerWaalsContact O-N 3.1Å; Q27-S29 VanDerWaalsContact C-N 3.29Å; Q27-S29 PolarHBondContact O-N 2.87Å; Q27-N51 PolarHBondContact O-ND2 2.88Å; Q27-N51 VanDerWaalsContact O-ND2 3.12Å
28F98.7Very high98.2Very high63 Ų6332.5 Ų32.528%0.27617%0.172SC..G310 helixtrans-82.7-2.7-178.9-56.6-28.8000113.8S24 T26 F30 Q31 H199S24-F28 WeakPolarHBondContact O-CB 3.41Å; S24-F28 VanDerWaalsContact O-CD2 3.3Å; S24-F28 WeakPolarHBondContact O-CD2 3.43Å; S24-F28 VanDerWaalsContact O-CG 3.29Å; S24-F28 WeakPolarHBondContact O-CG 3.46Å; S24-F28 PolarHBondContact O-N 2.71Å; T26-F28 VanDerWaalsContact C-N 3.28Å; T26-F28 PolarHBondContact O-N 3.44Å; F28-F30 PolarHBondContact O-N 2.76Å; F28-Q31 HydrophobicContact CB-CG 4.34Å; F28-Q31 WeakPolarHBondContact O-CB 3.46Å; F28-Q31 WeakPolarHBondContact O-CG 3.36Å; F28-Q31 PolarHBondContact O-N 3.09Å; F28-H199 AromaticContact CD2-CD2 3.97Å; F28-H199 AromaticContact CE2-CD2 3.92Å; F28-H199 AromaticContact CE2-NE2 3.85Å
29S98.7Very high98.2Very high0 Ų032.5 Ų32.50%017%0.172CC..G310 helixtrans-60.9-15-178.170.30000115I25 T26 Q27 G34 W35 G36 A37 N51I25-S29 PolarHBondContact O-N 3.38Å; T26-S29 WeakPolarHBondContact O-CB 3.27Å; T26-S29 PolarHBondContact O-N 3.39Å; T26-S29 VanDerWaalsContact O-N 3.1Å; T26-S29 PolarHBondContact O-OG 3.17Å; Q27-S29 VanDerWaalsContact C-N 3.29Å; Q27-S29 PolarHBondContact O-N 2.87Å; S29-G34 CarbonylContact O-C 3.56Å; S29-G34 WeakPolarHBondContact O-CA 3.49Å; S29-W35 PolarHBondContact O-N 3.14Å; S29-G36 CarbonylContact O-C 3.03Å; S29-G36 VanDerWaalsContact O-CA 3.29Å; S29-G36 WeakPolarHBondContact O-CA 3.47Å; S29-G36 PolarHBondContact O-N 3.34Å; S29-A37 PolarHBondContact O-N 3.01Å; S29-N51 PolarHBondContact OG-ND2 3.3Å
30F98.3Very high98.2Very high87 Ų8733.7 Ų33.738%0.38218%0.183SC..G310 helixtrans-100.91.8178.4-86.6-130.4000113.3L20 F28 G36 V49 N51L20-F30 HydrophobicContact CD1-CE2 3.96Å; F28-F30 PolarHBondContact O-N 2.76Å; F30-G36 VanDerWaalsContact CE2-C 3.48Å; F30-V49 HydrophobicContact CE2-CG1 4.02Å; F30-V49 HydrophobicContact CZ-CB 4.08Å; F30-V49 HydrophobicContact CZ-CG1 3.83Å; F30-V49 WeakPolarHBondContact CZ-O 3.3Å; F30-N51 HydrophobicContact CD2-CB 3.97Å; F30-N51 HydrophobicContact CE2-CB 3.91Å; F30-N51 HydrophobicContact CG-CB 4.4Å; F30-N51 HydrophobicContact CZ-CB 4.27Å
31Q96.9Very high98.2Very high118 Ų11839.2 Ų39.255%0.55121%0.213SC*.SBendtrans-63.6167169.9-67.7178.9-14.300110.5F28 G33 G34F28-Q31 HydrophobicContact CB-CG 4.34Å; F28-Q31 WeakPolarHBondContact O-CB 3.46Å; F28-Q31 WeakPolarHBondContact O-CG 3.36Å; F28-Q31 PolarHBondContact O-N 3.09Å; Q31-G33 PolarHBondContact O-N 3.28Å; Q31-G33 VanDerWaalsContact O-N 3.15Å; Q31-G34 WeakPolarHBondContact O-CA 3.26Å; Q31-G34 PolarHBondContact O-N 3.35Å
32Q95.6Very high98.1Very high204 Ų20444.7 Ų44.795%0.95324%0.237SC*.THydrogen-bonded Turntrans-56.7122179.2-174.3177.510.400110.7G34Q32-G34 VanDerWaalsContact C-N 3.28Å
33G93.4Very high98Very high46 Ų4644.8 Ų44.847%0.47424%0.237SC..THydrogen-bonded Turntrans77.49-175.500000114.7Q31 N205Q31-G33 PolarHBondContact O-N 3.28Å; Q31-G33 VanDerWaalsContact O-N 3.15Å; G33-N205 VanDerWaalsContact O-CB 3.26Å; G33-N205 WeakPolarHBondContact O-CB 3.29Å
34G98.3Very high97.9Very high1 Ų149 Ų491%0.0126%0.262CS..  trans-73.5147.4178.800000113.1S29 Q31 Q32 G36 A37 S38 N205S29-G34 CarbonylContact O-C 3.56Å; S29-G34 WeakPolarHBondContact O-CA 3.49Å; Q31-G34 WeakPolarHBondContact O-CA 3.26Å; Q31-G34 PolarHBondContact O-N 3.35Å; Q32-G34 VanDerWaalsContact C-N 3.28Å; G34-G36 VanDerWaalsContact C-N 3.27Å; G34-G36 PolarHBondContact O-N 2.96Å; G34-A37 WeakPolarHBondContact O-CB 3.44Å; G34-A37 PolarHBondContact O-N 3.39Å; G34-A37 VanDerWaalsContact O-N 3.13Å; G34-S38 PolarHBondContact O-N 3.4Å; G34-S38 PolarHBondContact O-OG 3.34Å; G34-N205 WeakPolarHBondContact CA-OD1 3.41Å
35W98.8Very high97.7Very high0 Ų052.6 Ų52.60%028%0.276CS..Hα-helixtrans-62.3-31.6-175.165.8-93.1000114.1L20 I25 T26 S29 S38 L39 F85 N205 L208 F209 L212L20-W35 HydrophobicContact CB-CH2 4.06Å; L20-W35 HydrophobicContact CD1-CE3 4.33Å; L20-W35 HydrophobicContact CD1-CH2 3.76Å; L20-W35 HydrophobicContact CD1-CZ3 3.66Å; L20-W35 HydrophobicContact CD2-CH2 3.94Å; L20-W35 HydrophobicContact CD2-CZ3 3.71Å; L20-W35 HydrophobicContact CG-CH2 4.13Å; L20-W35 HydrophobicContact CG-CZ3 4.18Å; I25-W35 PolarHBondContact O-NE1 3.45Å; T26-W35 HydrophobicContact CG2-CZ2 4.27Å; S29-W35 PolarHBondContact O-N 3.14Å; W35-S38 PolarHBondContact O-N 2.87Å; W35-L39 HydrophobicContact CE3-CD1 3.66Å; W35-L39 HydrophobicContact CZ3-CD1 3.69Å; W35-L39 WeakPolarHBondContact O-CG 3.49Å; W35-L39 PolarHBondContact O-N 3.21Å; W35-F85 HydrophobicContact CZ2-CD1 4.22Å; W35-N205 WeakPolarHBondContact CB-O 3.35Å; W35-N205 VanDerWaalsContact CD1-OD1 3.27Å; W35-N205 PolarHBondContact N-OD1 2.76Å; W35-N205 VanDerWaalsContact N-OD1 3.14Å; W35-L208 HydrophobicContact CB-CD2 3.83Å; W35-L208 HydrophobicContact CD2-CD1 4.39Å; W35-L208 HydrophobicContact CD2-CD2 3.52Å; W35-L208 HydrophobicContact CE3-CD2 3.64Å; W35-L208 HydrophobicContact CG-CD1 4.32Å; W35-L208 HydrophobicContact CG-CD2 3.62Å; W35-L208 HydrophobicContact CG-CG 4.45Å; W35-L208 HydrophobicContact CZ3-CD2 4.33Å; W35-F209 HydrophobicContact CB-CB 4.07Å; W35-L212 HydrophobicContact CE3-CD2 3.77Å; W35-L212 HydrophobicContact CH2-CD2 4.49Å; W35-L212 HydrophobicContact CZ3-CD2 3.54Å
36G98.8Very high97.5Very high0 Ų055.4 Ų55.40%029%0.288CS..Hα-helixtrans-72.1-37.7175.900000112.3S29 F30 G34 L39 A40S29-G36 CarbonylContact O-C 3.03Å; S29-G36 VanDerWaalsContact O-CA 3.29Å; S29-G36 WeakPolarHBondContact O-CA 3.47Å; S29-G36 PolarHBondContact O-N 3.34Å; F30-G36 VanDerWaalsContact CE2-C 3.48Å; G34-G36 VanDerWaalsContact C-N 3.27Å; G34-G36 PolarHBondContact O-N 2.96Å; G36-L39 PolarHBondContact O-N 3.3Å; G36-A40 PolarHBondContact O-N 3.44Å
37A98.6Very high97.3Very high33 Ų3355.6 Ų55.627%0.27329%0.289SS..Hα-helixtrans-63.6-41.5171.200000111.3S29 G34 L39 A40 D41S29-A37 PolarHBondContact O-N 3.01Å; G34-A37 WeakPolarHBondContact O-CB 3.44Å; G34-A37 PolarHBondContact O-N 3.39Å; G34-A37 VanDerWaalsContact O-N 3.13Å; A37-L39 VanDerWaalsContact C-N 3.35Å; A37-L39 PolarHBondContact O-N 3.45Å; A37-A40 PolarHBondContact O-N 3.27Å; A37-D41 PolarHBondContact O-N 3Å
38S98.6Very high97.2Very high34 Ų3455 Ų5524%0.23829%0.288CS..Hα-helixtrans-62.7-38.4175.2-59.70000112.7G34 W35 K42G34-S38 PolarHBondContact O-N 3.4Å; G34-S38 PolarHBondContact O-OG 3.34Å; W35-S38 PolarHBondContact O-N 2.87Å; S38-K42 WeakPolarHBondContact O-CG 3.3Å; S38-K42 PolarHBondContact O-N 2.93Å; S38-K42 VanDerWaalsContact O-N 3.12Å
39L98.6Very high97.1Very high0 Ų052.7 Ų52.70%028%0.28CS..Hα-helixtrans-63.4-44.5172.2-72.4171.1000111.7L18 L20 W35 G36 A37 D41 K42 L43 V49 F209 L212 W213 I216L18-L39 HydrophobicContact CD2-CD1 4.1Å; L20-L39 HydrophobicContact CD1-CD1 4.44Å; L20-L39 HydrophobicContact CD2-CD1 4.09Å; W35-L39 HydrophobicContact CE3-CD1 3.66Å; W35-L39 HydrophobicContact CZ3-CD1 3.69Å; W35-L39 WeakPolarHBondContact O-CG 3.49Å; W35-L39 PolarHBondContact O-N 3.21Å; G36-L39 PolarHBondContact O-N 3.3Å; A37-L39 VanDerWaalsContact C-N 3.35Å; A37-L39 PolarHBondContact O-N 3.45Å; L39-D41 VanDerWaalsContact C-N 3.33Å; L39-D41 PolarHBondContact O-N 3.01Å; L39-K42 PolarHBondContact O-N 3.35Å; L39-L43 WeakPolarHBondContact O-CB 3.35Å; L39-L43 WeakPolarHBondContact O-CG 3.42Å; L39-L43 PolarHBondContact O-N 3.1Å; L39-V49 HydrophobicContact CB-CG1 4.4Å; L39-V49 HydrophobicContact CB-CG2 4.28Å; L39-F209 HydrophobicContact CD2-CD2 4.12Å; L39-F209 HydrophobicContact CD2-CE2 4.05Å; L39-F209 HydrophobicContact CG-CD2 4.15Å; L39-F209 HydrophobicContact CG-CE2 4.34Å; L39-L212 HydrophobicContact CD1-CD2 4.06Å; L39-W213 HydrophobicContact CD2-CE3 3.86Å; L39-W213 HydrophobicContact CD2-CZ3 4.36Å; L39-I216 HydrophobicContact CD2-CB 4.49Å; L39-I216 HydrophobicContact CD2-CG1 4.29Å; L39-I216 HydrophobicContact CD2-CG2 4.37Å
40A98.4Very high97.1Very high32 Ų3254.7 Ų54.726%0.26429%0.29SS..Hα-helixtrans-61.7-41.8178.800000111.8G36 A37 L43 V44 V49G36-A40 PolarHBondContact O-N 3.44Å; A37-A40 PolarHBondContact O-N 3.27Å; A40-L43 CarbonylContact O-C 3.34Å; A40-L43 PolarHBondContact O-N 3.37Å; A40-V44 PolarHBondContact O-N 2.91Å; A40-V44 VanDerWaalsContact O-N 3.17Å; A40-V49 HydrophobicContact CB-CB 4.07Å; A40-V49 HydrophobicContact CB-CG2 4.08Å
41D98.1Very high97.1Very high117 Ų11752.2 Ų52.263%0.62628%0.281SS*.Hα-helixtrans-60.7-44.7175.1-177.370.7000112.2A37 L39 L43 V44A37-D41 PolarHBondContact O-N 3Å; L39-D41 VanDerWaalsContact C-N 3.33Å; L39-D41 PolarHBondContact O-N 3.01Å; D41-L43 VanDerWaalsContact C-N 3.25Å; D41-L43 PolarHBondContact O-N 3.41Å; D41-V44 VanDerWaalsContact O-CG2 3.24Å; D41-V44 WeakPolarHBondContact O-CG2 3.34Å; D41-V44 PolarHBondContact O-N 2.98Å
42K97.7Very high97.2Very high115 Ų11551 Ų5150%0.527%0.271SS..Hα-helixtrans-65.2-27.9176.1-72.4-63.6-178-177.90114.1S38 L39 F209 W213S38-K42 WeakPolarHBondContact O-CG 3.3Å; S38-K42 PolarHBondContact O-N 2.93Å; S38-K42 VanDerWaalsContact O-N 3.12Å; L39-K42 PolarHBondContact O-N 3.35Å; K42-F209 HydrophobicContact CD-CZ 4.45Å; K42-F209 HydrophobicContact CG-CE2 4.06Å; K42-F209 HydrophobicContact CG-CZ 3.7Å; K42-W213 HydrophobicContact CB-CE3 4.25Å; K42-W213 HydrophobicContact CB-CH2 3.76Å; K42-W213 HydrophobicContact CB-CZ2 4.43Å; K42-W213 HydrophobicContact CB-CZ3 3.66Å; K42-W213 HydrophobicContact CG-CE3 4.39Å; K42-W213 HydrophobicContact CG-CH2 4.41Å; K42-W213 HydrophobicContact CG-CZ3 4.26Å
43L97.4Very high97.4Very high2 Ų241.8 Ų41.81%0.0123%0.23CC..THydrogen-bonded Turntrans-101.311.1-174.1-70.1173.9000113.5L18 L39 A40 D41 R45 K46 C47 V49 W213 I216 V220L18-L43 HydrophobicContact CD2-CD1 3.9Å; L39-L43 WeakPolarHBondContact O-CB 3.35Å; L39-L43 WeakPolarHBondContact O-CG 3.42Å; L39-L43 PolarHBondContact O-N 3.1Å; A40-L43 CarbonylContact O-C 3.34Å; A40-L43 PolarHBondContact O-N 3.37Å; D41-L43 VanDerWaalsContact C-N 3.25Å; D41-L43 PolarHBondContact O-N 3.41Å; L43-R45 PolarHBondContact O-N 3.38Å; L43-K46 PolarHBondContact O-N 3.39Å; L43-C47 HydrophobicContact CB-CB 4.14Å; L43-C47 WeakPolarHBondContact CB-O 3.39Å; L43-C47 HydrophobicContact CD1-CB 4.12Å; L43-C47 HydrophobicContact CD2-CB 4.13Å; L43-C47 HydrophobicContact CG-CB 4.36Å; L43-C47 PolarHBondContact O-N 3.38Å; L43-C47 VanDerWaalsContact O-N 3.08Å; L43-V49 HydrophobicContact CB-CG2 4.4Å; L43-V49 HydrophobicContact CD1-CG2 3.77Å; L43-W213 HydrophobicContact CD2-CH2 4.21Å; L43-W213 HydrophobicContact CD2-CZ3 4.29Å; L43-W213 HydrophobicContact CG-CZ3 4.24Å; L43-I216 HydrophobicContact CD1-CG2 4.47Å; L43-V220 HydrophobicContact CD2-CB 4.26Å; L43-V220 HydrophobicContact CD2-CG2 3.82Å
44V96.5Very high97.6Very high88 Ų8842 Ų4253%0.53322%0.218SC..THydrogen-bonded Turntrans-49.3128.9175.2167.90000110.5A40 D41 K46A40-V44 PolarHBondContact O-N 2.91Å; A40-V44 VanDerWaalsContact O-N 3.17Å; D41-V44 VanDerWaalsContact O-CG2 3.24Å; D41-V44 WeakPolarHBondContact O-CG2 3.34Å; D41-V44 PolarHBondContact O-N 2.98Å; V44-K46 PolarHBondContact O-N 3.12Å
45R94.3Very high97.6Very high78 Ų7844.7 Ų44.729%0.29424%0.237SC..THydrogen-bonded Turntrans59.820.5-176.4-62.5174.957.7-166.31.3115L43 L225 L226 L227 P228L43-R45 PolarHBondContact O-N 3.38Å; R45-L225 HydrophobicContact CB-CD2 4.04Å; R45-L225 CarbonylContact O-C 3.54Å; R45-L225 WeakPolarHBondContact O-CA 3.24Å; R45-L226 PolarHBondContact NE-O 3.26Å; R45-L226 PolarHBondContact NH2-O 3.25Å; R45-L226 VanDerWaalsContact NH2-O 3.12Å; R45-L226 PolarHBondContact O-N 3.21Å; R45-L227 PolarHBondContact NH2-O 3.45Å; R45-P228 PolarHBondContact NH2-O 2.89Å
46K93.9Very high97.6Very high66 Ų6645.6 Ų45.629%0.28725%0.246SC..THydrogen-bonded Turntrans-127.1-46.5175.6-64.2-169.8172.6-1720113P16 L43 V44 L225P16-K46 WeakPolarHBondContact CD-O 3.48Å; L43-K46 PolarHBondContact O-N 3.39Å; V44-K46 PolarHBondContact O-N 3.12Å; K46-L225 HydrophobicContact CD-CD2 4.36Å; K46-L225 HydrophobicContact CG-CD2 3.77Å
47C94.9Very high97.6Very high4 Ų449.4 Ų49.43%0.02726%0.261CS..  trans-153.5130-169.5-178.30000109.4P16 R17 L18 L43 L223P16-C47 VanDerWaalsContact C-SG 3.57Å; P16-C47 HydrophobicContact CB-CB 4.38Å; P16-C47 CarbonylContact O-C 3.58Å; P16-C47 VanDerWaalsContact O-CA 3.27Å; P16-C47 WeakPolarHBondContact O-CA 3.35Å; P16-C47 PolarHBondContact O-SG 3.42Å; R17-C47 VanDerWaalsContact C-SG 3.58Å; L18-C47 PolarHBondContact N-SG 3.39Å; L43-C47 HydrophobicContact CB-CB 4.14Å; L43-C47 WeakPolarHBondContact CB-O 3.39Å; L43-C47 HydrophobicContact CD1-CB 4.12Å; L43-C47 HydrophobicContact CD2-CB 4.13Å; L43-C47 HydrophobicContact CG-CB 4.36Å; L43-C47 PolarHBondContact O-N 3.38Å; L43-C47 VanDerWaalsContact O-N 3.08Å; C47-L223 HydrophobicContact CB-CD1 3.96Å
48D96.2Very high97.6Very high66 Ų6647.9 Ų47.935%0.35325%0.248SC..EExtended strand (participates in β ladder)trans-70.7138.8169.9-77.9-18.5000109.8W15 P16 R17 L18W15-D48 HydrophobicContact CB-CB 4.37Å; W15-D48 WeakPolarHBondContact CB-OD2 3.36Å; P16-D48 PolarHBondContact O-N 2.72Å; R17-D48 CarbonylContact C-O 3.57Å; R17-D48 WeakPolarHBondContact CA-O 3.34Å; R17-D48 HydrophobicContact CG-CB 4.4Å; L18-D48 PolarHBondContact N-O 3Å
49V98.2Very high97.6Very high16 Ų1646.2 Ų46.210%0.09724%0.237CC..EExtended strand (participates in β ladder)trans-106.6115.8172.4-174.90000108.4L18 L20 F30 L39 A40 L43L18-V49 HydrophobicContact CB-CG2 4.4Å; L18-V49 HydrophobicContact CD2-CG1 4.32Å; L18-V49 HydrophobicContact CD2-CG2 4.17Å; L18-V49 HydrophobicContact CG-CG1 4.39Å; L18-V49 CarbonylContact O-C 3.56Å; L18-V49 WeakPolarHBondContact O-CA 3.5Å; L20-V49 HydrophobicContact CD1-CG1 3.65Å; L20-V49 HydrophobicContact CD2-CG1 4.32Å; L20-V49 HydrophobicContact CG-CG1 3.88Å; F30-V49 HydrophobicContact CE2-CG1 4.02Å; F30-V49 HydrophobicContact CZ-CB 4.08Å; F30-V49 HydrophobicContact CZ-CG1 3.83Å; F30-V49 WeakPolarHBondContact CZ-O 3.3Å; L39-V49 HydrophobicContact CB-CG1 4.4Å; L39-V49 HydrophobicContact CB-CG2 4.28Å; A40-V49 HydrophobicContact CB-CB 4.07Å; A40-V49 HydrophobicContact CB-CG2 4.08Å; L43-V49 HydrophobicContact CB-CG2 4.4Å; L43-V49 HydrophobicContact CD1-CG2 3.77Å
50L97.9Very high97.7Very high42 Ų4250.4 Ų50.422%0.2225%0.253CS..EExtended strand (participates in β ladder)trans-104.4114.1-175.8-63.5-170.6000110.9R17 L18 L19 L20R17-L50 HydrophobicContact CB-CD1 4.43Å; L18-L50 PolarHBondContact O-N 3.32Å; L19-L50 HydrophobicContact CD1-CB 3.64Å; L19-L50 HydrophobicContact CD1-CD1 4.22Å; L20-L50 PolarHBondContact N-O 3.25Å
51N98.7Very high97.7Very high35 Ų3552.4 Ų52.419%0.18725%0.253CS..EExtended strand (participates in β ladder)trans-80.2121.8173.5-172.4-28.1000111.2T26 Q27 S29 F30 G53T26-N51 PolarHBondContact O-ND2 2.64Å; T26-N51 PolarHBondContact O-OD1 2.95Å; Q27-N51 PolarHBondContact O-ND2 2.88Å; Q27-N51 VanDerWaalsContact O-ND2 3.12Å; S29-N51 PolarHBondContact OG-ND2 3.3Å; F30-N51 HydrophobicContact CD2-CB 3.97Å; F30-N51 HydrophobicContact CE2-CB 3.91Å; F30-N51 HydrophobicContact CG-CB 4.4Å; F30-N51 HydrophobicContact CZ-CB 4.27Å; N51-G53 PolarHBondContact OD1-N 2.97Å
52R98.6Very high97.7Very high93 Ų9346.9 Ų46.935%0.35122%0.224SC..EExtended strand (participates in β ladder)trans-129.152169.4-65.5-61.2-178.6-87.8-1.5109.9L19 L20 F21 G22 F54 L69L19-R52 HydrophobicContact CD1-CB 4.37Å; L19-R52 HydrophobicContact CD1-CG 3.57Å; L19-R52 HydrophobicContact CG-CG 4.38Å; L20-R52 CarbonylContact O-C 3.25Å; L20-R52 WeakPolarHBondContact O-CA 3.33Å; L20-R52 WeakPolarHBondContact O-CB 3.3Å; L20-R52 PolarHBondContact O-N 3.19Å; F21-R52 HydrophobicContact CD2-CB 4.08Å; F21-R52 WeakPolarHBondContact CD2-O 3.38Å; G22-R52 PolarHBondContact N-O 2.79Å; R52-F54 HydrophobicContact CB-CE2 4Å; R52-F54 HydrophobicContact CB-CZ 4.42Å; R52-F54 VanDerWaalsContact O-CD2 3.27Å; R52-F54 WeakPolarHBondContact O-CD2 3.27Å; R52-F54 WeakPolarHBondContact O-CE2 3.43Å; R52-L69 HydrophobicContact CB-CD1 4.19Å; R52-L69 HydrophobicContact CG-CD1 4.34Å
53G98.8Very high97.7Very high9 Ų945.2 Ų45.29%0.09322%0.217CC..EExtended strand (participates in β ladder)trans-85.9139.4169.200000112.3G22 D23 N51G22-G53 CarbonylContact O-C 3.58Å; G22-G53 VanDerWaalsContact O-CA 3.3Å; G22-G53 WeakPolarHBondContact O-CA 3.24Å; D23-G53 WeakPolarHBondContact O-CA 3.28Å; N51-G53 PolarHBondContact OD1-N 2.97Å
54F98.8Very high97.8Very high51 Ų5150.4 Ų50.422%0.22424%0.243CC..  trans-130.6103.6-179.2-57.8-87.4000110.6F21 G22 D23 R52 G56 Y57 I65 L69F21-F54 HydrophobicContact CD2-CE2 4.21Å; F21-F54 HydrophobicContact CE2-CD2 4.15Å; F21-F54 AromaticContact CE2-CE2 3.85Å; F21-F54 HydrophobicContact CE2-CE2 3.85Å; G22-F54 PolarHBondContact O-N 3Å; D23-F54 CarbonylContact C-O 3.41Å; D23-F54 VanDerWaalsContact CA-O 3.28Å; D23-F54 WeakPolarHBondContact CA-O 3.36Å; D23-F54 PolarHBondContact O-N 3.2Å; R52-F54 HydrophobicContact CB-CE2 4Å; R52-F54 HydrophobicContact CB-CZ 4.42Å; R52-F54 VanDerWaalsContact O-CD2 3.27Å; R52-F54 WeakPolarHBondContact O-CD2 3.27Å; R52-F54 WeakPolarHBondContact O-CE2 3.43Å; F54-G56 PolarHBondContact O-N 3.37Å; F54-Y57 HydrophobicContact CB-CD1 3.77Å; F54-Y57 HydrophobicContact CB-CD2 3.52Å; F54-Y57 HydrophobicContact CB-CE1 4.11Å; F54-Y57 HydrophobicContact CB-CE2 3.87Å; F54-Y57 HydrophobicContact CB-CG 3.46Å; F54-Y57 VanDerWaalsContact CB-CG 3.46Å; F54-Y57 HydrophobicContact CG-CD1 4.29Å; F54-Y57 HydrophobicContact CG-CE1 4.34Å; F54-Y57 HydrophobicContact CG-CG 4.45Å; F54-Y57 VanDerWaalsContact O-CB 3.31Å; F54-Y57 WeakPolarHBondContact O-CB 3.26Å; F54-Y57 PolarHBondContact O-N 3.27Å; F54-Y57 VanDerWaalsContact O-N 3.08Å; F54-I65 HydrophobicContact CD1-CD1 4.45Å; F54-I65 HydrophobicContact CD2-CD1 3.59Å; F54-I65 HydrophobicContact CE1-CD1 4.39Å; F54-I65 HydrophobicContact CE2-CD1 3.52Å; F54-I65 HydrophobicContact CG-CD1 4.08Å; F54-I65 HydrophobicContact CZ-CD1 3.95Å; F54-L69 HydrophobicContact CE2-CD1 3.7Å; F54-L69 HydrophobicContact CZ-CD1 3.86Å; F54-L69 HydrophobicContact CZ-CD2 4.16Å
55S98.6Very high97.9Very high58 Ų5847.7 Ų47.741%0.40623%0.225SC..THydrogen-bonded Turntrans-55.5130.4-175.7-176.70000112.1S24 Y57S24-S55 WeakPolarHBondContact CB-OG 3.41Å; S55-Y57 VanDerWaalsContact C-N 3.27Å; S55-Y57 PolarHBondContact O-N 3.05Å
56G98.3Very high98Very high18 Ų1844 Ų4419%0.18621%0.212CC..THydrogen-bonded Turntrans76.9-0.3-179.600000116F54 W61 N89 Q100F54-G56 PolarHBondContact O-N 3.37Å; G56-W61 WeakPolarHBondContact O-CZ3 3.44Å; G56-N89 VanDerWaalsContact C-ND2 3.34Å; G56-N89 WeakPolarHBondContact CA-ND2 3.49Å; G56-Q100 VanDerWaalsContact CA-NE2 3.34Å; G56-Q100 PolarHBondContact O-NE2 2.91Å
57Y98.9Very high98.1Very high81 Ų8143.1 Ų43.132%0.31821%0.213SC..  trans-73.3146.7-179-82.7-133.6000112.6F54 S55 W61 I65 N89F54-Y57 HydrophobicContact CB-CD1 3.77Å; F54-Y57 HydrophobicContact CB-CD2 3.52Å; F54-Y57 HydrophobicContact CB-CE1 4.11Å; F54-Y57 HydrophobicContact CB-CE2 3.87Å; F54-Y57 HydrophobicContact CB-CG 3.46Å; F54-Y57 VanDerWaalsContact CB-CG 3.46Å; F54-Y57 HydrophobicContact CG-CD1 4.29Å; F54-Y57 HydrophobicContact CG-CE1 4.34Å; F54-Y57 HydrophobicContact CG-CG 4.45Å; F54-Y57 VanDerWaalsContact O-CB 3.31Å; F54-Y57 WeakPolarHBondContact O-CB 3.26Å; F54-Y57 PolarHBondContact O-N 3.27Å; F54-Y57 VanDerWaalsContact O-N 3.08Å; S55-Y57 VanDerWaalsContact C-N 3.27Å; S55-Y57 PolarHBondContact O-N 3.05Å; Y57-W61 HydrophobicContact CD1-CB 3.83Å; Y57-W61 HydrophobicContact CD1-CE3 4.23Å; Y57-W61 HydrophobicContact CD2-CE3 4.14Å; Y57-W61 HydrophobicContact CE1-CB 4.17Å; Y57-W61 AromaticContact CG-CE3 3.92Å; Y57-W61 HydrophobicContact CG-CE3 3.92Å; Y57-I65 HydrophobicContact CD1-CD1 3.99Å; Y57-I65 HydrophobicContact CE1-CD1 3.87Å; Y57-I65 HydrophobicContact CE1-CG2 4.46Å; Y57-N89 WeakPolarHBondContact O-CB 3.39Å; Y57-N89 PolarHBondContact O-ND2 3.07Å
58N98.9Very high98.1Very high0 Ų051.8 Ų51.80%025%0.245CC..  trans-111173.317062.731.4000111.2R60 W61 A62 D90 K99 Q100 I102N58-R60 VanDerWaalsContact C-N 3.28Å; N58-R60 PolarHBondContact O-N 3.3Å; N58-R60 PolarHBondContact OD1-N 2.58Å; N58-W61 PolarHBondContact O-N 2.95Å; N58-W61 PolarHBondContact OD1-N 2.81Å; N58-A62 WeakPolarHBondContact O-CB 3.5Å; N58-A62 PolarHBondContact O-N 3.36Å; N58-D90 WeakPolarHBondContact CA-OD2 3.4Å; N58-K99 PolarHBondContact ND2-O 3Å; N58-Q100 WeakPolarHBondContact CB-O 3.42Å; N58-Q100 PolarHBondContact ND2-O 3.1Å; N58-I102 HydrophobicContact CB-CD1 4.31Å; N58-I102 HydrophobicContact CB-CG1 3.69Å
59T98.9Very high98Very high0 Ų051.4 Ų51.40%024%0.242CC..Hα-helixtrans-64.4-28.2-176.158.40000114W61 A62 K63 F86 D90 Y107 N110 L111 M114T59-W61 PolarHBondContact O-N 3.4Å; T59-A62 PolarHBondContact O-N 3.49Å; T59-K63 WeakPolarHBondContact O-CB 3.38Å; T59-K63 PolarHBondContact O-N 3.01Å; T59-F86 HydrophobicContact CG2-CB 3.63Å; T59-F86 HydrophobicContact CG2-CG 4.21Å; T59-D90 VanDerWaalsContact CB-OD1 3.23Å; T59-D90 WeakPolarHBondContact CB-OD1 3.28Å; T59-D90 VanDerWaalsContact CG2-OD1 3.3Å; T59-D90 WeakPolarHBondContact CG2-OD1 3.44Å; T59-D90 PolarHBondContact N-OD1 2.92Å; T59-D90 PolarHBondContact N-OD2 3.19Å; T59-D90 PolarHBondContact OG1-OD1 3.29Å; T59-Y107 HydrophobicContact CG2-CD2 3.45Å; T59-Y107 VanDerWaalsContact CG2-CD2 3.45Å; T59-Y107 HydrophobicContact CG2-CE2 3.58Å; T59-N110 PolarHBondContact OG1-ND2 2.8Å; T59-N110 VanDerWaalsContact OG1-ND2 3.12Å; T59-L111 HydrophobicContact CG2-CD2 3.98Å; T59-M114 HydrophobicContact CG2-CE 4.32Å
60R98.8Very high97.7Very high87 Ų8751.4 Ų51.433%0.32824%0.242SC..Hα-helixtrans-62.1-44.9176.4-175.7-175.8-65.7138.9-1.1110.8N58 I64 I102 E106 N110N58-R60 VanDerWaalsContact C-N 3.28Å; N58-R60 PolarHBondContact O-N 3.3Å; N58-R60 PolarHBondContact OD1-N 2.58Å; R60-I64 WeakPolarHBondContact O-CG1 3.23Å; R60-I102 HydrophobicContact CB-CD1 3.55Å; R60-I102 HydrophobicContact CB-CG1 4.44Å; R60-E106 IonicContact CZ-OE1 3.69Å; R60-E106 VanDerWaalsContact CZ-OE1 3.3Å; R60-E106 IonicContact CZ-OE2 2.73Å; R60-E106 IonicContact NE-OE1 3.96Å; R60-E106 PolarHBondContact NE-OE1 2.87Å; R60-E106 IonicContact NE-OE2 3.56Å; R60-E106 VanDerWaalsContact NH2-CD 3.27Å; R60-E106 IonicContact NH2-OE1 2.68Å; R60-E106 PolarHBondContact NH2-OE1 3.36Å; R60-E106 VanDerWaalsContact NH2-OE1 3.14Å; R60-E106 IonicContact NH2-OE2 3.68Å; R60-E106 PolarHBondContact NH2-OE2 2.88Å; R60-N110 PolarHBondContact N-ND2 3.44Å
61W98.9Very high97.2Very high75 Ų7557.9 Ų57.928%0.28426%0.263SS..Hα-helixtrans-75.6-39.2176.7-52.5-26.2000111.8G56 Y57 N58 T59 K63 I64 I65 K99G56-W61 WeakPolarHBondContact O-CZ3 3.44Å; Y57-W61 HydrophobicContact CD1-CB 3.83Å; Y57-W61 HydrophobicContact CD1-CE3 4.23Å; Y57-W61 HydrophobicContact CD2-CE3 4.14Å; Y57-W61 HydrophobicContact CE1-CB 4.17Å; Y57-W61 AromaticContact CG-CE3 3.92Å; Y57-W61 HydrophobicContact CG-CE3 3.92Å; N58-W61 PolarHBondContact O-N 2.95Å; N58-W61 PolarHBondContact OD1-N 2.81Å; T59-W61 PolarHBondContact O-N 3.4Å; W61-K63 VanDerWaalsContact C-N 3.31Å; W61-K63 PolarHBondContact O-N 3.45Å; W61-I64 WeakPolarHBondContact O-CB 3.45Å; W61-I64 PolarHBondContact O-N 3.32Å; W61-I65 PolarHBondContact O-N 3.13Å; W61-I65 VanDerWaalsContact O-N 3.08Å; W61-K99 HydrophobicContact CH2-CG 4.11Å; W61-K99 HydrophobicContact CZ2-CG 4.24Å; W61-K99 WeakPolarHBondContact CZ2-O 3.25Å
62A98.8Very high96.4Very high0 Ų062.8 Ų62.80%028%0.283CS..Hα-helixtrans-54.4-47177.300000111.7F21 N58 T59 I64 I65 L66 F86 M114F21-A62 HydrophobicContact CE1-CB 4.03Å; F21-A62 HydrophobicContact CZ-CB 3.77Å; F21-A62 WeakPolarHBondContact CZ-O 3.41Å; N58-A62 WeakPolarHBondContact O-CB 3.5Å; N58-A62 PolarHBondContact O-N 3.36Å; T59-A62 PolarHBondContact O-N 3.49Å; A62-I64 VanDerWaalsContact C-N 3.26Å; A62-I64 PolarHBondContact O-N 3.17Å; A62-I65 VanDerWaalsContact O-CG1 3.28Å; A62-I65 WeakPolarHBondContact O-CG1 3.46Å; A62-I65 PolarHBondContact O-N 3.24Å; A62-L66 WeakPolarHBondContact O-CB 3.25Å; A62-L66 PolarHBondContact O-N 2.95Å; A62-F86 HydrophobicContact CB-CD1 4.37Å; A62-F86 HydrophobicContact CB-CD2 4.21Å; A62-F86 HydrophobicContact CB-CE1 3.81Å; A62-F86 HydrophobicContact CB-CE2 3.62Å; A62-F86 HydrophobicContact CB-CZ 3.39Å; A62-M114 HydrophobicContact CB-CE 4.49Å; A62-M114 HydrophobicContact CB-SD 3.86Å
63K98.3Very high95Very high81 Ų8160.2 Ų60.235%0.35229%0.285SS..Hα-helixtrans-57.5-37.8176.9-175.6178.573.9-168.90112.8T59 W61 P67 N110 M114T59-K63 WeakPolarHBondContact O-CB 3.38Å; T59-K63 PolarHBondContact O-N 3.01Å; W61-K63 VanDerWaalsContact C-N 3.31Å; W61-K63 PolarHBondContact O-N 3.45Å; K63-P67 VanDerWaalsContact O-CD 3.26Å; K63-P67 WeakPolarHBondContact O-CD 3.45Å; K63-N110 WeakPolarHBondContact CE-OD1 3.28Å; K63-N110 PolarHBondContact NZ-OD1 3.24Å; K63-M114 HydrophobicContact CB-CG 4.18Å; K63-M114 HydrophobicContact CG-CG 4.41Å
64I98.6Very high93.4Very high111 Ų11165.7 Ų65.757%0.56931%0.312SS*.Hα-helixtrans-72-38.8-179.6-65.6167.4000111.2R60 W61 A62R60-I64 WeakPolarHBondContact O-CG1 3.23Å; W61-I64 WeakPolarHBondContact O-CB 3.45Å; W61-I64 PolarHBondContact O-N 3.32Å; A62-I64 VanDerWaalsContact C-N 3.26Å; A62-I64 PolarHBondContact O-N 3.17Å
65I98.3Very high91.7Very high30 Ų3067.7 Ų67.715%0.15433%0.333CS..Hα-helixtrans-83.7-24.8-17765.9170.5000113F21 F54 Y57 W61 A62 R68 L69F21-I65 HydrophobicContact CE2-CD1 3.9Å; F21-I65 HydrophobicContact CE2-CG1 4.14Å; F21-I65 HydrophobicContact CZ-CD1 4.18Å; F21-I65 HydrophobicContact CZ-CG1 3.99Å; F54-I65 HydrophobicContact CD1-CD1 4.45Å; F54-I65 HydrophobicContact CD2-CD1 3.59Å; F54-I65 HydrophobicContact CE1-CD1 4.39Å; F54-I65 HydrophobicContact CE2-CD1 3.52Å; F54-I65 HydrophobicContact CG-CD1 4.08Å; F54-I65 HydrophobicContact CZ-CD1 3.95Å; Y57-I65 HydrophobicContact CD1-CD1 3.99Å; Y57-I65 HydrophobicContact CE1-CD1 3.87Å; Y57-I65 HydrophobicContact CE1-CG2 4.46Å; W61-I65 PolarHBondContact O-N 3.13Å; W61-I65 VanDerWaalsContact O-N 3.08Å; A62-I65 VanDerWaalsContact O-CG1 3.28Å; A62-I65 WeakPolarHBondContact O-CG1 3.46Å; A62-I65 PolarHBondContact O-N 3.24Å; I65-R68 WeakPolarHBondContact O-CA 3.46Å; I65-R68 VanDerWaalsContact O-CB 3.25Å; I65-R68 WeakPolarHBondContact O-CB 3.47Å; I65-R68 PolarHBondContact O-N 3.33Å; I65-L69 HydrophobicContact CD1-CD1 4.23Å; I65-L69 HydrophobicContact CG1-CD1 4.34Å; I65-L69 WeakPolarHBondContact O-CG 3.43Å; I65-L69 PolarHBondContact O-N 2.94Å
66L97.9Very high90Very high2 Ų270.3 Ų70.31%0.0134%0.341CS..Hα-helixtrans-53.5-44.6-176.3179.163000112.9F21 A62 R68 L69 I70 M114 Y117 L118F21-L66 HydrophobicContact CD1-CD1 4Å; F21-L66 HydrophobicContact CE1-CB 4.04Å; F21-L66 HydrophobicContact CE1-CD1 3.88Å; F21-L66 HydrophobicContact CE1-CD2 4.42Å; F21-L66 HydrophobicContact CE1-CG 4.34Å; F21-L66 HydrophobicContact CZ-CB 4.14Å; F21-L66 HydrophobicContact CZ-CD1 4.36Å; A62-L66 WeakPolarHBondContact O-CB 3.25Å; A62-L66 PolarHBondContact O-N 2.95Å; L66-R68 PolarHBondContact O-N 3.4Å; L66-R68 VanDerWaalsContact O-N 3.13Å; L66-L69 PolarHBondContact O-N 3.08Å; L66-I70 HydrophobicContact CD1-CD1 3.82Å; L66-I70 HydrophobicContact CD1-CG1 4.22Å; L66-I70 PolarHBondContact O-N 3.08Å; L66-M114 HydrophobicContact CD2-CB 3.64Å; L66-M114 HydrophobicContact CD2-CG 3.72Å; L66-M114 HydrophobicContact CD2-SD 4.31Å; L66-Y117 HydrophobicContact CD2-CD1 3.76Å; L66-Y117 HydrophobicContact CG-CD1 3.76Å; L66-Y117 HydrophobicContact CG-CE1 4.06Å; L66-L118 HydrophobicContact CD1-CD2 4.24Å; L66-L118 HydrophobicContact CD2-CD2 4.31Å; L66-L118 HydrophobicContact CD2-CG 4.26Å
67P95.8Very high88.9Confident47 Ų4772.9 Ų72.931%0.30535%0.351SS..Hα-helixtrans-65.8-13.5174.7-22.434.2000115.9K63 R71 Y117K63-P67 VanDerWaalsContact O-CD 3.26Å; K63-P67 WeakPolarHBondContact O-CD 3.45Å; P67-R71 WeakPolarHBondContact O-CG 3.42Å; P67-R71 PolarHBondContact O-NE 3.21Å; P67-Y117 VanDerWaalsContact CA-CZ 3.45Å; P67-Y117 WeakPolarHBondContact CA-OH 3.42Å; P67-Y117 HydrophobicContact CB-CE1 4.11Å; P67-Y117 HydrophobicContact CB-CE2 3.78Å; P67-Y117 WeakPolarHBondContact CB-OH 3.25Å; P67-Y117 HydrophobicContact CG-CD1 4.33Å; P67-Y117 HydrophobicContact CG-CD2 4.05Å; P67-Y117 HydrophobicContact CG-CE1 4.01Å; P67-Y117 HydrophobicContact CG-CE2 3.72Å; P67-Y117 HydrophobicContact CG-CG 4.35Å
68R94.4Very high88.3Confident186 Ų18670.7 Ų70.770%0.70235%0.345SS*.Hα-helixtrans-88.2-20.2173.8-55.1175.664.3145.6-0.7112I65 L66I65-R68 WeakPolarHBondContact O-CA 3.46Å; I65-R68 VanDerWaalsContact O-CB 3.25Å; I65-R68 WeakPolarHBondContact O-CB 3.47Å; I65-R68 PolarHBondContact O-N 3.33Å; L66-R68 PolarHBondContact O-N 3.4Å; L66-R68 VanDerWaalsContact O-N 3.13Å
69L93.2Very high88.1Confident58 Ų5871.2 Ų71.230%0.30435%0.348SS..Hα-helixtrans-96.3-38.6-178.6-58.8177.8000112.2F21 R52 F54 I65 L66F21-L69 HydrophobicContact CD2-CD1 3.91Å; F21-L69 HydrophobicContact CE2-CD1 3.54Å; F21-L69 HydrophobicContact CZ-CD1 4.37Å; R52-L69 HydrophobicContact CB-CD1 4.19Å; R52-L69 HydrophobicContact CG-CD1 4.34Å; F54-L69 HydrophobicContact CE2-CD1 3.7Å; F54-L69 HydrophobicContact CZ-CD1 3.86Å; F54-L69 HydrophobicContact CZ-CD2 4.16Å; I65-L69 HydrophobicContact CD1-CD1 4.23Å; I65-L69 HydrophobicContact CG1-CD1 4.34Å; I65-L69 WeakPolarHBondContact O-CG 3.43Å; I65-L69 PolarHBondContact O-N 2.94Å; L66-L69 PolarHBondContact O-N 3.08Å
70I91.6Very high87.9Confident16 Ų1672.3 Ų72.38%0.08235%0.354CS..SBendtrans-126.8124178.5-51.9176.3000107.3L19 L66 V82 Y117 L118 V121 I123L19-I70 HydrophobicContact CD2-CD1 3.21Å; L19-I70 HydrophobicContact CD2-CG1 3.6Å; L66-I70 HydrophobicContact CD1-CD1 3.82Å; L66-I70 HydrophobicContact CD1-CG1 4.22Å; L66-I70 PolarHBondContact O-N 3.08Å; I70-V82 HydrophobicContact CD1-CG2 4.43Å; I70-Y117 WeakPolarHBondContact O-CE1 3.39Å; I70-Y117 PolarHBondContact O-OH 3.43Å; I70-L118 HydrophobicContact CD1-CD2 3.46Å; I70-L118 VanDerWaalsContact CD1-CD2 3.46Å; I70-V121 HydrophobicContact CG2-CG2 3.98Å; I70-I123 HydrophobicContact CD1-CD1 4.19Å; I70-I123 HydrophobicContact CG2-CD1 3.63Å
71R87.6Confident87.9Confident178 Ų17868.1 Ų68.167%0.67234%0.339SS*.  trans-124157177.6-67.8177.2-179.4164.40.3108.7P67 G73P67-R71 WeakPolarHBondContact O-CG 3.42Å; P67-R71 PolarHBondContact O-NE 3.21Å; R71-G73 PolarHBondContact O-N 2.78Å
72K81.7Confident87.8Confident138 Ų13864.6 Ų64.660%0.633%0.325SS*.SBendtrans-58.6113.8165.5-167.4167.5-173.6156.90108.1V121 D122K72-V121 HydrophobicContact CB-CB 4.22Å; K72-V121 HydrophobicContact CB-CG1 4.03Å; K72-D122 VanDerWaalsContact CE-OD2 3.23Å; K72-D122 WeakPolarHBondContact CE-OD2 3.47Å; K72-D122 IonicContact NZ-OD2 3.61Å
73G70.5Confident87.9Confident39 Ų3964.6 Ų64.640%0.40233%0.325SS..  trans-126.1-167.8-177.800000110.9R71R71-G73 PolarHBondContact O-N 2.78Å
74N65.8Low87.9Confident123 Ų12360.8 Ų60.866%0.65831%0.309SS*.  trans-65.1151.6168.1-66-21.8000109.3L76 D77N74-L76 PolarHBondContact O-N 3.4Å; N74-D77 PolarHBondContact O-N 2.9Å
75S62.9Low87.9Confident94 Ų9455.6 Ų55.666%0.65728%0.282SS*.G310 helixtrans-52.7-26.9-176.855.20000114.1D77 I78S75-D77 VanDerWaalsContact C-N 3.27Å; S75-D77 PolarHBondContact O-N 3.08Å; S75-I78 WeakPolarHBondContact O-CG1 3.41Å; S75-I78 PolarHBondContact O-N 2.99Å
76L62Low87.9Confident112 Ų11254.2 Ų54.259%0.58628%0.275SS*.G310 helixtrans-70.7-16.3179.8-61.7171.3000114.1L14 N74L14-L76 HydrophobicContact CD1-CB 3.67Å; L14-L76 HydrophobicContact CD1-CD1 3.49Å; L14-L76 VanDerWaalsContact CD1-CD1 3.49Å; L14-L76 HydrophobicContact CD1-CD2 3.92Å; L14-L76 HydrophobicContact CD1-CG 3.84Å; N74-L76 PolarHBondContact O-N 3.4Å
77D75.3Confident88Confident72 Ų7254.1 Ų54.139%0.38528%0.275SS..G310 helixtrans-96.7-1.4179.1-85.6-47.4000113.3R17 N74 S75 P79R17-D77 IonicContact CZ-OD1 3.76Å; R17-D77 IonicContact NH1-OD1 3.54Å; R17-D77 VanDerWaalsContact NH2-C 3.3Å; R17-D77 VanDerWaalsContact NH2-CG 3.3Å; R17-D77 PolarHBondContact NH2-O 2.81Å; R17-D77 IonicContact NH2-OD1 2.64Å; R17-D77 PolarHBondContact NH2-OD1 2.81Å; N74-D77 PolarHBondContact O-N 2.9Å; S75-D77 VanDerWaalsContact C-N 3.27Å; S75-D77 PolarHBondContact O-N 3.08Å; D77-P79 WeakPolarHBondContact O-CD 3.44Å
78I86.4Confident88.1Confident36 Ų3652 Ų5219%0.18526%0.261CS..  trans-78.1121.5-173.8-58.2173.9000109.8S75 V80 D122 I123S75-I78 WeakPolarHBondContact O-CG1 3.41Å; S75-I78 PolarHBondContact O-N 2.99Å; I78-V80 PolarHBondContact O-N 2.9Å; I78-D122 HydrophobicContact CD1-CB 3.68Å; I78-D122 WeakPolarHBondContact CG2-O 3.35Å; I78-I123 HydrophobicContact CG2-CG1 3.64Å
79P94.2Very high88.3Confident10 Ų1043.4 Ų43.47%0.06523%0.229CC..  trans-54.6139.7173.9-25.334.7000112.4R17 D77 V82 I123 R127R17-P79 CarbonylContact O-C 3.6Å; R17-P79 WeakPolarHBondContact O-CA 3.06Å; R17-P79 WeakPolarHBondContact O-CB 3.11Å; D77-P79 WeakPolarHBondContact O-CD 3.44Å; P79-V82 HydrophobicContact CB-CG2 3.84Å; P79-V82 HydrophobicContact CG-CG2 4.19Å; P79-I123 HydrophobicContact CG-CD1 4.09Å; P79-R127 WeakPolarHBondContact O-CD 3.12Å; P79-R127 PolarHBondContact O-NH1 2.97Å; P79-R127 VanDerWaalsContact O-NH1 3.1Å
80V95.4Very high88.6Confident23 Ų2340.6 Ų40.614%0.13921%0.214CC..SBendtrans-72.8-24172.7-66.60000111.4P16 R17 I78 R127 V220 L223P16-V80 HydrophobicContact CB-CG1 3.88Å; P16-V80 HydrophobicContact CB-CG2 4.48Å; R17-V80 WeakPolarHBondContact O-CG2 3.45Å; R17-V80 PolarHBondContact O-N 3.38Å; I78-V80 PolarHBondContact O-N 2.9Å; V80-R127 WeakPolarHBondContact O-CD 3.47Å; V80-R127 WeakPolarHBondContact O-CG 3.34Å; V80-V220 HydrophobicContact CG2-CG1 3.99Å; V80-L223 HydrophobicContact CG1-CD2 4.41Å; V80-L223 HydrophobicContact CG2-CD1 4.37Å
81A97.8Very high88.9Confident0 Ų039.9 Ų39.90%021%0.21CC..EExtended strand (participates in β ladder)trans-156.3151.5174.500000111.1L18 L19 R127 I216 K219L18-A81 HydrophobicContact CD1-CB 3.67Å; L19-A81 PolarHBondContact N-O 3.28Å; A81-R127 CarbonylContact C-O 3.54Å; A81-R127 VanDerWaalsContact CA-O 3.25Å; A81-R127 WeakPolarHBondContact CA-O 3.24Å; A81-I216 HydrophobicContact CB-CD1 4.33Å; A81-K219 HydrophobicContact CB-CB 4.3Å; A81-K219 HydrophobicContact CB-CD 3.57Å
82V98.6Very high89.5Confident0 Ų031.4 Ų31.40%018%0.178CC..EExtended strand (participates in β ladder)trans-133.9125.5174.4-177.60000108.9L19 I70 P79 I84 L118 I123 R127 V128 I129L19-V82 HydrophobicContact CB-CG1 4.38Å; L19-V82 HydrophobicContact CB-CG2 4.22Å; L19-V82 HydrophobicContact CD2-CG1 4.24Å; L19-V82 CarbonylContact O-C 3.57Å; L19-V82 WeakPolarHBondContact O-CA 3.32Å; I70-V82 HydrophobicContact CD1-CG2 4.43Å; P79-V82 HydrophobicContact CB-CG2 3.84Å; P79-V82 HydrophobicContact CG-CG2 4.19Å; V82-I84 HydrophobicContact CG1-CG1 4.46Å; V82-L118 HydrophobicContact CB-CD1 4.36Å; V82-L118 HydrophobicContact CG1-CD1 4.09Å; V82-I123 HydrophobicContact CG2-CD1 4.23Å; V82-I123 HydrophobicContact CG2-CG2 4.12Å; V82-R127 PolarHBondContact N-O 2.88Å; V82-V128 CarbonylContact O-C 3.45Å; V82-V128 WeakPolarHBondContact O-CA 3.45Å; V82-I129 PolarHBondContact O-N 2.88Å
83T98.9Very high90.3Very high0 Ų027 Ų270%016%0.161CC..EExtended strand (participates in β ladder)trans-92.5139.4166.770.90000109.7L19 L20 F21 I129 I131 L212 I216L19-T83 PolarHBondContact O-N 3.34Å; L20-T83 WeakPolarHBondContact CA-OG1 3.45Å; L20-T83 HydrophobicContact CD2-CG2 4.03Å; F21-T83 WeakPolarHBondContact CA-O 3.35Å; F21-T83 WeakPolarHBondContact CB-O 3.45Å; F21-T83 PolarHBondContact N-O 2.64Å; T83-I129 CarbonylContact C-O 3.48Å; T83-I129 VanDerWaalsContact CA-O 3.31Å; T83-I129 WeakPolarHBondContact CA-O 3.14Å; T83-I129 HydrophobicContact CG2-CB 4.44Å; T83-I131 HydrophobicContact CG2-CD1 4.31Å; T83-L212 HydrophobicContact CG2-CD1 4.43Å; T83-L212 HydrophobicContact CG2-CD2 4.39Å; T83-I216 HydrophobicContact CG2-CD1 4.36Å
84I98.9Very high91.6Very high2 Ų231.6 Ų31.61%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-117.5115.9168-58179.6000107.5F21 V82 F86 L111 M114 V115 L118 V128 I129 L130 I131F21-I84 HydrophobicContact CD1-CG1 4.49Å; F21-I84 CarbonylContact O-C 3.48Å; F21-I84 WeakPolarHBondContact O-CA 3.42Å; V82-I84 HydrophobicContact CG1-CG1 4.46Å; I84-F86 HydrophobicContact CG2-CD2 3.84Å; I84-F86 HydrophobicContact CG2-CE2 4.37Å; I84-L111 HydrophobicContact CG2-CD2 4.02Å; I84-M114 HydrophobicContact CD1-CB 4.03Å; I84-M114 HydrophobicContact CG2-CE 3.86Å; I84-V115 HydrophobicContact CD1-CG2 4.41Å; I84-L118 HydrophobicContact CD1-CD1 3.93Å; I84-V128 HydrophobicContact CD1-CG1 4.02Å; I84-V128 HydrophobicContact CG1-CG1 4.25Å; I84-I129 PolarHBondContact N-O 3.39Å; I84-L130 HydrophobicContact CB-CD2 3.68Å; I84-L130 HydrophobicContact CD1-CD2 3.96Å; I84-L130 HydrophobicContact CG1-CD2 4.2Å; I84-L130 HydrophobicContact CG2-CD2 4.22Å; I84-I131 PolarHBondContact O-N 2.92Å
85F98.9Very high93.1Very high1 Ų132.7 Ų32.70%0.00418%0.176CC..EExtended strand (participates in β ladder)trans-131.689.4-174.1-169.5-167.9000110.9F21 G22 D23 I25 W35 I131 T132 T134 L180 L208F21-F85 PolarHBondContact O-N 2.93Å; G22-F85 WeakPolarHBondContact CA-O 3.25Å; D23-F85 PolarHBondContact N-O 3.43Å; I25-F85 HydrophobicContact CB-CE1 4.11Å; I25-F85 HydrophobicContact CD1-CZ 4.32Å; I25-F85 HydrophobicContact CG2-CD1 4.29Å; I25-F85 HydrophobicContact CG2-CE1 3.47Å; I25-F85 VanDerWaalsContact CG2-CE1 3.47Å; I25-F85 HydrophobicContact CG2-CZ 3.97Å; W35-F85 HydrophobicContact CZ2-CD1 4.22Å; F85-I131 HydrophobicContact CB-CB 4.05Å; F85-I131 HydrophobicContact CB-CD1 4.27Å; F85-I131 HydrophobicContact CB-CG1 4.5Å; F85-I131 HydrophobicContact CD1-CB 4.46Å; F85-I131 HydrophobicContact CD1-CD1 4.28Å; F85-I131 HydrophobicContact CD1-CG2 4.29Å; F85-I131 HydrophobicContact CD2-CB 3.65Å; F85-I131 HydrophobicContact CD2-CG2 3.62Å; F85-I131 HydrophobicContact CE1-CG2 4.27Å; F85-I131 HydrophobicContact CE2-CB 4.18Å; F85-I131 HydrophobicContact CE2-CG2 3.6Å; F85-I131 HydrophobicContact CG-CB 3.82Å; F85-I131 HydrophobicContact CG-CD1 4.28Å; F85-I131 HydrophobicContact CG-CG2 3.98Å; F85-I131 HydrophobicContact CZ-CG2 3.93Å; F85-T132 VanDerWaalsContact CE2-O 3.24Å; F85-T132 WeakPolarHBondContact CE2-O 3.27Å; F85-T134 HydrophobicContact CZ-CG2 4.02Å; F85-L180 HydrophobicContact CE1-CD2 4.48Å; F85-L180 HydrophobicContact CE2-CD2 4.32Å; F85-L180 HydrophobicContact CZ-CD2 3.71Å; F85-L208 HydrophobicContact CD1-CD1 4.42Å; F85-L208 HydrophobicContact CE1-CD1 3.51Å; F85-L208 HydrophobicContact CZ-CD1 4.01Å
86F98.9Very high94.8Very high2 Ų232.2 Ų32.21%0.00916%0.164CC..  trans-139.3162.4179.7-70.7-82.1000110.1F21 G22 D23 T59 A62 I84 Y107 M114F21-F86 AromaticContact CD1-CE2 3.77Å; F21-F86 HydrophobicContact CD1-CE2 3.77Å; F21-F86 HydrophobicContact CD1-CZ 4.48Å; F21-F86 HydrophobicContact CD2-CE2 4.46Å; F21-F86 HydrophobicContact CD2-CZ 4.46Å; F21-F86 AromaticContact CE1-CE2 3.68Å; F21-F86 HydrophobicContact CE1-CE2 3.68Å; F21-F86 HydrophobicContact CE1-CZ 4.18Å; F21-F86 HydrophobicContact CE2-CE2 4.36Å; F21-F86 HydrophobicContact CE2-CZ 4.14Å; F21-F86 HydrophobicContact CG-CE2 4.17Å; F21-F86 AromaticContact CZ-CE2 3.99Å; F21-F86 HydrophobicContact CZ-CE2 3.99Å; F21-F86 AromaticContact CZ-CZ 4Å; F21-F86 HydrophobicContact CZ-CZ 4Å; G22-F86 VanDerWaalsContact CA-CE2 3.45Å; G22-F86 WeakPolarHBondContact O-CE1 3.49Å; G22-F86 WeakPolarHBondContact O-CZ 3.35Å; D23-F86 HydrophobicContact CB-CD1 4.06Å; D23-F86 HydrophobicContact CB-CE1 4.12Å; T59-F86 HydrophobicContact CG2-CB 3.63Å; T59-F86 HydrophobicContact CG2-CG 4.21Å; A62-F86 HydrophobicContact CB-CD1 4.37Å; A62-F86 HydrophobicContact CB-CD2 4.21Å; A62-F86 HydrophobicContact CB-CE1 3.81Å; A62-F86 HydrophobicContact CB-CE2 3.62Å; A62-F86 HydrophobicContact CB-CZ 3.39Å; I84-F86 HydrophobicContact CG2-CD2 3.84Å; I84-F86 HydrophobicContact CG2-CE2 4.37Å; F86-Y107 PolarHBondContact O-OH 2.62Å; F86-M114 HydrophobicContact CD2-CE 4.46Å
87G98.8Very high96.4Very high0 Ų028.1 Ų28.10%014%0.142CC..  trans136.7-31.817900000112.2N89 D90 S91G87-N89 VanDerWaalsContact C-N 3.27Å; G87-N89 PolarHBondContact O-N 2.95Å; G87-D90 PolarHBondContact N-OD2 2.97Å; G87-D90 PolarHBondContact O-N 3.21Å; G87-S91 VanDerWaalsContact O-CB 3.28Å; G87-S91 WeakPolarHBondContact O-CB 3.25Å; G87-S91 PolarHBondContact O-N 3.37Å; G87-S91 PolarHBondContact O-OG 3.32Å; G87-S91 VanDerWaalsContact O-OG 3.08Å
88A98.7Very high97.5Very high3 Ų329 Ų293%0.02515%0.152CC..THydrogen-bonded Turntrans-62.3-34.5-178.200000112.6I25 S91 R154 L198I25-A88 HydrophobicContact CD1-CB 4.29Å; A88-S91 PolarHBondContact O-OG 2.97Å; A88-R154 PolarHBondContact O-NE 3.21Å; A88-L198 HydrophobicContact CB-CD1 4.47Å
89N98.9Very high98.1Very high4 Ų434.7 Ų34.72%0.02118%0.175CC..THydrogen-bonded Turntrans-86.7-40.3175.1-64.7-46.4000112.7D23 G56 Y57 G87 S91 A92 Q100 R154D23-N89 WeakPolarHBondContact CB-ND2 3.23Å; G56-N89 VanDerWaalsContact C-ND2 3.34Å; G56-N89 WeakPolarHBondContact CA-ND2 3.49Å; Y57-N89 WeakPolarHBondContact O-CB 3.39Å; Y57-N89 PolarHBondContact O-ND2 3.07Å; G87-N89 VanDerWaalsContact C-N 3.27Å; G87-N89 PolarHBondContact O-N 2.95Å; N89-S91 PolarHBondContact O-N 2.98Å; N89-A92 VanDerWaalsContact O-CB 3.25Å; N89-A92 WeakPolarHBondContact O-CB 3.31Å; N89-A92 PolarHBondContact O-N 3.47Å; N89-A92 VanDerWaalsContact O-N 3.13Å; N89-Q100 HydrophobicContact CB-CB 4.22Å; N89-Q100 VanDerWaalsContact CG-NE2 3.29Å; N89-Q100 CarbonylContact O-C 3.59Å; N89-Q100 WeakPolarHBondContact O-CB 3.3Å; N89-Q100 PolarHBondContact OD1-NE2 2.96Å; N89-R154 PolarHBondContact OD1-NH2 3.04Å
90D98.9Very high98.3Very high0 Ų035.8 Ų35.80%018%0.179CC..THydrogen-bonded Turntrans-56.4-39.9178.3-60.3-108.6000112N58 T59 G87 A92 H101 I102 Y107 Y162N58-D90 WeakPolarHBondContact CA-OD2 3.4Å; T59-D90 VanDerWaalsContact CB-OD1 3.23Å; T59-D90 WeakPolarHBondContact CB-OD1 3.28Å; T59-D90 VanDerWaalsContact CG2-OD1 3.3Å; T59-D90 WeakPolarHBondContact CG2-OD1 3.44Å; T59-D90 PolarHBondContact N-OD1 2.92Å; T59-D90 PolarHBondContact N-OD2 3.19Å; T59-D90 PolarHBondContact OG1-OD1 3.29Å; G87-D90 PolarHBondContact N-OD2 2.97Å; G87-D90 PolarHBondContact O-N 3.21Å; D90-A92 PolarHBondContact O-N 3.21Å; D90-A92 VanDerWaalsContact O-N 3.17Å; D90-H101 WeakPolarHBondContact O-CA 3.22Å; D90-I102 HydrophobicContact CB-CB 4.01Å; D90-I102 HydrophobicContact CB-CG1 4.27Å; D90-I102 PolarHBondContact O-N 2.94Å; D90-I102 VanDerWaalsContact OD1-CG1 3.27Å; D90-I102 WeakPolarHBondContact OD1-CG1 3.45Å; D90-Y107 HydrophobicContact CB-CD2 3.78Å; D90-Y107 HydrophobicContact CB-CE2 4.3Å; D90-Y162 HydrophobicContact CB-CD1 3.91Å; D90-Y162 HydrophobicContact CB-CE1 3.76Å; D90-Y162 PolarHBondContact O-OH 3.28Å
91S98.8Very high98.4Very high0 Ų036.1 Ų36.10%018%0.179CC..THydrogen-bonded Turntrans-76.28-18073.20000114.7G87 A88 N89 V159G87-S91 VanDerWaalsContact O-CB 3.28Å; G87-S91 WeakPolarHBondContact O-CB 3.25Å; G87-S91 PolarHBondContact O-N 3.37Å; G87-S91 PolarHBondContact O-OG 3.32Å; G87-S91 VanDerWaalsContact O-OG 3.08Å; A88-S91 PolarHBondContact O-OG 2.97Å; N89-S91 PolarHBondContact O-N 2.98Å; S91-V159 WeakPolarHBondContact OG-CG2 3.16Å
92A98.6Very high98.5Very high0 Ų036.1 Ų36.10%018%0.179CC..SBendtrans-59.2145171.300000110.7N89 D90 K94 N97 Q100 H101 N153 R154N89-A92 VanDerWaalsContact O-CB 3.25Å; N89-A92 WeakPolarHBondContact O-CB 3.31Å; N89-A92 PolarHBondContact O-N 3.47Å; N89-A92 VanDerWaalsContact O-N 3.13Å; D90-A92 PolarHBondContact O-N 3.21Å; D90-A92 VanDerWaalsContact O-N 3.17Å; A92-K94 PolarHBondContact O-N 3.37Å; A92-N97 HydrophobicContact CB-CB 4.05Å; A92-Q100 HydrophobicContact CB-CB 4.19Å; A92-H101 WeakPolarHBondContact O-CB 3.42Å; A92-H101 PolarHBondContact O-ND1 3.24Å; A92-N153 CarbonylContact C-O 3.45Å; A92-N153 WeakPolarHBondContact CA-O 3.44Å; A92-R154 HydrophobicContact CB-CG 4.21Å
93L98.6Very high98.5Very high45 Ų4539 Ų3924%0.23620%0.198CC..  trans-66128.2176.5-61.1178.4000109.1D95 E96 N97 N153 L155 V158L93-D95 VanDerWaalsContact C-N 3.27Å; L93-D95 PolarHBondContact O-N 3.22Å; L93-E96 HydrophobicContact CB-CB 4.19Å; L93-E96 HydrophobicContact CB-CG 4.27Å; L93-E96 HydrophobicContact CD1-CG 4.31Å; L93-E96 PolarHBondContact O-N 3.14Å; L93-N97 PolarHBondContact O-N 3.21Å; L93-N153 PolarHBondContact N-O 3Å; L93-L155 HydrophobicContact CD1-CD1 4.4Å; L93-L155 HydrophobicContact CD1-CG 4.2Å; L93-L155 HydrophobicContact CD2-CD1 4.18Å; L93-L155 HydrophobicContact CD2-CG 4.25Å; L93-V158 HydrophobicContact CD2-CG2 4.08Å
94K97.9Very high98.5Very high137 Ų13741.8 Ų41.860%0.59621%0.213SC*.THydrogen-bonded Turntrans-53.5-43.6-175.2-177.4177.7174.7-175.90113.1A92 P98A92-K94 PolarHBondContact O-N 3.37Å; K94-P98 WeakPolarHBondContact O-CA 3.34Å; K94-P98 VanDerWaalsContact O-CB 3.32Å; K94-P98 WeakPolarHBondContact O-CB 3.4Å; K94-P98 WeakPolarHBondContact O-CD 3.32Å
95D97.7Very high98.5Very high146 Ų14650 Ų5078%0.78125%0.251SS*.THydrogen-bonded Turntrans-79.2-24.5-174.2-60.6-32000112.6L93L93-D95 VanDerWaalsContact C-N 3.27Å; L93-D95 PolarHBondContact O-N 3.22Å
96E97.5Very high98.5Very high84 Ų8452.6 Ų52.639%0.39326%0.263SS..THydrogen-bonded Turntrans-95.8-30.7-177.8-60.3-62.1157.800112.6L93 N153L93-E96 HydrophobicContact CB-CB 4.19Å; L93-E96 HydrophobicContact CB-CG 4.27Å; L93-E96 HydrophobicContact CD1-CG 4.31Å; L93-E96 PolarHBondContact O-N 3.14Å; E96-N153 HydrophobicContact CB-CB 3.76Å
97N97.6Very high98.5Very high26 Ų2652.5 Ų52.514%0.13926%0.263CS..  trans-148.271.9178.3-173.1-9.6000111.8A92 L93 K99 Q100 H101 N153A92-N97 HydrophobicContact CB-CB 4.05Å; L93-N97 PolarHBondContact O-N 3.21Å; N97-K99 PolarHBondContact O-N 3.35Å; N97-K99 VanDerWaalsContact O-N 3.14Å; N97-Q100 PolarHBondContact ND2-OE1 3.37Å; N97-Q100 PolarHBondContact O-N 3.42Å; N97-Q100 PolarHBondContact OD1-N 3.24Å; N97-H101 WeakPolarHBondContact O-CB 3.33Å; N97-H101 PolarHBondContact O-N 2.89Å; N97-H101 VanDerWaalsContact O-N 3.09Å; N97-N153 HydrophobicContact CB-CB 4.09Å
98P97.7Very high98.5Very high90 Ų9053.7 Ų53.758%0.58427%0.272SS*.THydrogen-bonded Turntrans-65.3-19.2-177.324.8-34.6000113.5K94K94-P98 WeakPolarHBondContact O-CA 3.34Å; K94-P98 VanDerWaalsContact O-CB 3.32Å; K94-P98 WeakPolarHBondContact O-CB 3.4Å; K94-P98 WeakPolarHBondContact O-CD 3.32Å
99K98.1Very high98.5Very high156 Ų15655.9 Ų55.968%0.67829%0.29SS*.THydrogen-bonded Turntrans-72.3-39.5-178.4-173.9173.8-179.1178.80111.8N58 W61 N97N58-K99 PolarHBondContact ND2-O 3Å; W61-K99 HydrophobicContact CH2-CG 4.11Å; W61-K99 HydrophobicContact CZ2-CG 4.24Å; W61-K99 WeakPolarHBondContact CZ2-O 3.25Å; N97-K99 PolarHBondContact O-N 3.35Å; N97-K99 VanDerWaalsContact O-N 3.14Å
100Q98.5Very high98.5Very high32 Ų3255.7 Ų55.715%0.1529%0.29CS..THydrogen-bonded Turntrans-89.7-31.7178.4-66.3-169.8-65.400112.2G56 N58 N89 A92 N97 I102G56-Q100 VanDerWaalsContact CA-NE2 3.34Å; G56-Q100 PolarHBondContact O-NE2 2.91Å; N58-Q100 WeakPolarHBondContact CB-O 3.42Å; N58-Q100 PolarHBondContact ND2-O 3.1Å; N89-Q100 HydrophobicContact CB-CB 4.22Å; N89-Q100 VanDerWaalsContact CG-NE2 3.29Å; N89-Q100 CarbonylContact O-C 3.59Å; N89-Q100 WeakPolarHBondContact O-CB 3.3Å; N89-Q100 PolarHBondContact OD1-NE2 2.96Å; A92-Q100 HydrophobicContact CB-CB 4.19Å; N97-Q100 PolarHBondContact ND2-OE1 3.37Å; N97-Q100 PolarHBondContact O-N 3.42Å; N97-Q100 PolarHBondContact OD1-N 3.24Å; Q100-I102 PolarHBondContact O-N 3.18Å
101H98.8Very high98.5Very high31 Ų3155.8 Ų55.814%0.14429%0.29CS..  trans-54131.3-179.8178.169.6000113.4D90 A92 N97D90-H101 WeakPolarHBondContact O-CA 3.22Å; A92-H101 WeakPolarHBondContact O-CB 3.42Å; A92-H101 PolarHBondContact O-ND1 3.24Å; N97-H101 WeakPolarHBondContact O-CB 3.33Å; N97-H101 PolarHBondContact O-N 2.89Å; N97-H101 VanDerWaalsContact O-N 3.09Å
102I98.9Very high98.5Very high0 Ų059.8 Ų59.80%031%0.308CS..  trans-127.9124.9171-61.9-59.1000108.1N58 R60 D90 Q100 E106 Y162N58-I102 HydrophobicContact CB-CD1 4.31Å; N58-I102 HydrophobicContact CB-CG1 3.69Å; R60-I102 HydrophobicContact CB-CD1 3.55Å; R60-I102 HydrophobicContact CB-CG1 4.44Å; D90-I102 HydrophobicContact CB-CB 4.01Å; D90-I102 HydrophobicContact CB-CG1 4.27Å; D90-I102 PolarHBondContact O-N 2.94Å; D90-I102 VanDerWaalsContact OD1-CG1 3.27Å; D90-I102 WeakPolarHBondContact OD1-CG1 3.45Å; Q100-I102 PolarHBondContact O-N 3.18Å; I102-E106 HydrophobicContact CG2-CB 3.84Å; I102-E106 HydrophobicContact CG2-CG 4.06Å; I102-Y162 VanDerWaalsContact O-CE1 3.32Å; I102-Y162 WeakPolarHBondContact O-CE1 3.48Å; I102-Y162 PolarHBondContact O-OH 2.89Å
103P98.8Very high98.5Very high59 Ų5961.8 Ų61.838%0.38332%0.322SS..  trans-53.6142.5176.5-26.134.9000112.5E105 E106 Y107P103-E105 VanDerWaalsContact C-N 3.3Å; P103-E105 PolarHBondContact O-N 3.12Å; P103-E106 HydrophobicContact CB-CB 4.4Å; P103-E106 CarbonylContact O-C 3.57Å; P103-E106 WeakPolarHBondContact O-CA 3.18Å; P103-E106 WeakPolarHBondContact O-CB 3.25Å; P103-E106 PolarHBondContact O-N 3.22Å; P103-Y107 PolarHBondContact O-N 2.82Å
104L98.9Very high98.5Very high60 Ų6059.7 Ų59.731%0.31431%0.311SS..Hα-helixtrans-53.7-42.8-172.6-172.366.4000113.5E106 Y107 A108 E161 Y162 A165L104-E106 VanDerWaalsContact C-N 3.33Å; L104-E106 PolarHBondContact O-N 3.29Å; L104-Y107 WeakPolarHBondContact O-CB 3.26Å; L104-Y107 PolarHBondContact O-N 3.48Å; L104-A108 PolarHBondContact O-N 3.46Å; L104-E161 HydrophobicContact CD1-CB 4.34Å; L104-E161 HydrophobicContact CD2-CB 4.16Å; L104-Y162 HydrophobicContact CD1-CD1 3.98Å; L104-Y162 HydrophobicContact CD1-CD2 3.7Å; L104-Y162 HydrophobicContact CD1-CE1 4.17Å; L104-Y162 HydrophobicContact CD1-CE2 3.92Å; L104-Y162 HydrophobicContact CD1-CG 3.73Å; L104-A165 HydrophobicContact CD1-CB 3.78Å; L104-A165 HydrophobicContact CG-CB 4.32Å
105E98.8Very high98.6Very high173 Ų17353.3 Ų53.381%0.80828%0.283SS*.Hα-helixtrans-62.4-40.1176.1-65.6-177.6175.900112.2P103 A109P103-E105 VanDerWaalsContact C-N 3.3Å; P103-E105 PolarHBondContact O-N 3.12Å; E105-A109 WeakPolarHBondContact O-CB 3.49Å; E105-A109 PolarHBondContact O-N 3.13Å
106E98.9Very high98.6Very high56 Ų5651.4 Ų51.426%0.26227%0.269SS..Hα-helixtrans-69.9-39.2177.5-167.8-169.214500111.3R60 I102 P103 L104 A109 N110R60-E106 IonicContact CZ-OE1 3.69Å; R60-E106 VanDerWaalsContact CZ-OE1 3.3Å; R60-E106 IonicContact CZ-OE2 2.73Å; R60-E106 IonicContact NE-OE1 3.96Å; R60-E106 PolarHBondContact NE-OE1 2.87Å; R60-E106 IonicContact NE-OE2 3.56Å; R60-E106 VanDerWaalsContact NH2-CD 3.27Å; R60-E106 IonicContact NH2-OE1 2.68Å; R60-E106 PolarHBondContact NH2-OE1 3.36Å; R60-E106 VanDerWaalsContact NH2-OE1 3.14Å; R60-E106 IonicContact NH2-OE2 3.68Å; R60-E106 PolarHBondContact NH2-OE2 2.88Å; I102-E106 HydrophobicContact CG2-CB 3.84Å; I102-E106 HydrophobicContact CG2-CG 4.06Å; P103-E106 HydrophobicContact CB-CB 4.4Å; P103-E106 CarbonylContact O-C 3.57Å; P103-E106 WeakPolarHBondContact O-CA 3.18Å; P103-E106 WeakPolarHBondContact O-CB 3.25Å; P103-E106 PolarHBondContact O-N 3.22Å; L104-E106 VanDerWaalsContact C-N 3.33Å; L104-E106 PolarHBondContact O-N 3.29Å; E106-A109 PolarHBondContact O-N 3.29Å; E106-N110 VanDerWaalsContact O-CB 3.3Å; E106-N110 WeakPolarHBondContact O-CB 3.36Å; E106-N110 PolarHBondContact O-N 3.33Å; E106-N110 PolarHBondContact O-ND2 2.97Å
107Y98.9Very high98.7Very high0 Ų050 Ų500%026%0.261CS..Hα-helixtrans-56.4-51.4173.6167.5-100.4000111T59 F86 D90 P103 L104 A109 N110 L111 Y162 A165 C166T59-Y107 HydrophobicContact CG2-CD2 3.45Å; T59-Y107 VanDerWaalsContact CG2-CD2 3.45Å; T59-Y107 HydrophobicContact CG2-CE2 3.58Å; F86-Y107 PolarHBondContact O-OH 2.62Å; D90-Y107 HydrophobicContact CB-CD2 3.78Å; D90-Y107 HydrophobicContact CB-CE2 4.3Å; P103-Y107 PolarHBondContact O-N 2.82Å; L104-Y107 WeakPolarHBondContact O-CB 3.26Å; L104-Y107 PolarHBondContact O-N 3.48Å; Y107-A109 PolarHBondContact O-N 2.79Å; Y107-N110 PolarHBondContact O-N 3.29Å; Y107-L111 HydrophobicContact CD1-CD1 4.3Å; Y107-L111 HydrophobicContact CE1-CD1 3.6Å; Y107-L111 HydrophobicContact CE1-CG 4.36Å; Y107-L111 HydrophobicContact CE2-CD1 4.13Å; Y107-L111 HydrophobicContact CE2-CD2 4.34Å; Y107-L111 HydrophobicContact CE2-CG 4.21Å; Y107-L111 WeakPolarHBondContact O-CG 3.47Å; Y107-L111 PolarHBondContact O-N 2.82Å; Y107-Y162 AromaticContact CD1-CD1 3.65Å; Y107-Y162 HydrophobicContact CD1-CD1 3.65Å; Y107-Y162 HydrophobicContact CD1-CE1 4.42Å; Y107-Y162 HydrophobicContact CD1-CG 4.35Å; Y107-Y162 AromaticContact CD2-CD1 3.85Å; Y107-Y162 HydrophobicContact CD2-CD1 3.85Å; Y107-Y162 HydrophobicContact CD2-CE1 4.4Å; Y107-Y162 HydrophobicContact CE1-CD1 4.07Å; Y107-Y162 HydrophobicContact CE1-CG 4.49Å; Y107-Y162 VanDerWaalsContact CE1-O 3.3Å; Y107-Y162 WeakPolarHBondContact CE1-O 3.39Å; Y107-Y162 HydrophobicContact CE2-CD1 4.25Å; Y107-Y162 AromaticContact CG-CD1 3.52Å; Y107-Y162 HydrophobicContact CG-CD1 3.52Å; Y107-Y162 AromaticContact CG-CE1 3.98Å; Y107-Y162 HydrophobicContact CG-CE1 3.98Å; Y107-A165 HydrophobicContact CD1-CB 4.18Å; Y107-A165 HydrophobicContact CE1-CB 4.26Å; Y107-C166 HydrophobicContact CE1-CB 4.25Å
108A98.9Very high98.7Very high25 Ų2548.8 Ų48.821%0.20725%0.254CS..Hα-helixtrans-60.5-45.1177.700000111.9L104 N110 L111 K112 A165 V169L104-A108 PolarHBondContact O-N 3.46Å; A108-N110 VanDerWaalsContact C-N 3.31Å; A108-N110 PolarHBondContact O-N 2.96Å; A108-L111 PolarHBondContact O-N 2.99Å; A108-K112 WeakPolarHBondContact O-CB 3.44Å; A108-K112 PolarHBondContact O-N 2.96Å; A108-A165 HydrophobicContact CB-CB 4.47Å; A108-V169 HydrophobicContact CB-CG2 3.87Å
109A98.9Very high98.6Very high49 Ų4949.9 Ų49.941%0.40525%0.25SC..Hα-helixtrans-62.8-36.9176.700000112.6E105 E106 Y107 S113E105-A109 WeakPolarHBondContact O-CB 3.49Å; E105-A109 PolarHBondContact O-N 3.13Å; E106-A109 PolarHBondContact O-N 3.29Å; Y107-A109 PolarHBondContact O-N 2.79Å; A109-S113 WeakPolarHBondContact O-CB 3.31Å; A109-S113 PolarHBondContact O-N 2.89Å; A109-S113 PolarHBondContact O-OG 3.27Å
110N98.9Very high98.5Very high1 Ų145.7 Ų45.71%0.00524%0.24CC..Hα-helixtrans-68.1-45.1177.1-72.4-27.9000111.4T59 R60 K63 E106 Y107 A108 S113 M114T59-N110 PolarHBondContact OG1-ND2 2.8Å; T59-N110 VanDerWaalsContact OG1-ND2 3.12Å; R60-N110 PolarHBondContact N-ND2 3.44Å; K63-N110 WeakPolarHBondContact CE-OD1 3.28Å; K63-N110 PolarHBondContact NZ-OD1 3.24Å; E106-N110 VanDerWaalsContact O-CB 3.3Å; E106-N110 WeakPolarHBondContact O-CB 3.36Å; E106-N110 PolarHBondContact O-N 3.33Å; E106-N110 PolarHBondContact O-ND2 2.97Å; Y107-N110 PolarHBondContact O-N 3.29Å; A108-N110 VanDerWaalsContact C-N 3.31Å; A108-N110 PolarHBondContact O-N 2.96Å; N110-S113 WeakPolarHBondContact O-CB 3.46Å; N110-S113 PolarHBondContact O-N 3.37Å; N110-M114 WeakPolarHBondContact O-CG 3.29Å; N110-M114 PolarHBondContact O-N 3.37Å
111L98.9Very high98.4Very high2 Ų244.6 Ų44.61%0.0124%0.236CC..Hα-helixtrans-57.8-50174.3-68.9-175000111.1T59 I84 Y107 A108 S113 M114 V115 C166 V169T59-L111 HydrophobicContact CG2-CD2 3.98Å; I84-L111 HydrophobicContact CG2-CD2 4.02Å; Y107-L111 HydrophobicContact CD1-CD1 4.3Å; Y107-L111 HydrophobicContact CE1-CD1 3.6Å; Y107-L111 HydrophobicContact CE1-CG 4.36Å; Y107-L111 HydrophobicContact CE2-CD1 4.13Å; Y107-L111 HydrophobicContact CE2-CD2 4.34Å; Y107-L111 HydrophobicContact CE2-CG 4.21Å; Y107-L111 WeakPolarHBondContact O-CG 3.47Å; Y107-L111 PolarHBondContact O-N 2.82Å; A108-L111 PolarHBondContact O-N 2.99Å; L111-S113 VanDerWaalsContact C-N 3.3Å; L111-S113 PolarHBondContact O-N 3.4Å; L111-M114 HydrophobicContact CD2-CE 3.64Å; L111-M114 PolarHBondContact O-N 3.08Å; L111-M114 VanDerWaalsContact O-N 3.1Å; L111-V115 WeakPolarHBondContact O-CG2 3.5Å; L111-V115 PolarHBondContact O-N 3.33Å; L111-C166 HydrophobicContact CD1-CB 4.02Å; L111-V169 HydrophobicContact CB-CB 4.5Å; L111-V169 HydrophobicContact CB-CG1 3.86Å; L111-V169 HydrophobicContact CB-CG2 4.46Å
112K98.9Very high98.2Very high84 Ų8446.8 Ų46.837%0.36525%0.248SC..Hα-helixtrans-57.4-43.2176.8-174.9168.9-171.5165.90112A108 M114 V115 Q116 V169A108-K112 WeakPolarHBondContact O-CB 3.44Å; A108-K112 PolarHBondContact O-N 2.96Å; K112-M114 VanDerWaalsContact C-N 3.34Å; K112-M114 PolarHBondContact O-N 2.95Å; K112-V115 PolarHBondContact O-N 2.98Å; K112-Q116 WeakPolarHBondContact O-CB 3.37Å; K112-Q116 VanDerWaalsContact O-CG 3.26Å; K112-Q116 WeakPolarHBondContact O-CG 3.44Å; K112-Q116 PolarHBondContact O-N 2.9Å; K112-V169 HydrophobicContact CB-CG1 4.24Å
113S98.8Very high98Very high42 Ų4246.8 Ų46.829%0.29425%0.249SC..Hα-helixtrans-62.5-39.6176.9-60.80000112.3A109 N110 L111 Y117A109-S113 WeakPolarHBondContact O-CB 3.31Å; A109-S113 PolarHBondContact O-N 2.89Å; A109-S113 PolarHBondContact O-OG 3.27Å; N110-S113 WeakPolarHBondContact O-CB 3.46Å; N110-S113 PolarHBondContact O-N 3.37Å; L111-S113 VanDerWaalsContact C-N 3.3Å; L111-S113 PolarHBondContact O-N 3.4Å; S113-Y117 WeakPolarHBondContact O-CB 3.48Å; S113-Y117 PolarHBondContact O-N 3.2Å
114M98.9Very high97.9Very high1 Ų146.2 Ų46.21%0.00525%0.245CC..Hα-helixtrans-66.2-43.5177-71.7-172.1-65.500111.5F21 T59 A62 K63 L66 I84 F86 N110 L111 K112 Y117 L118F21-M114 HydrophobicContact CE1-SD 3.71Å; T59-M114 HydrophobicContact CG2-CE 4.32Å; A62-M114 HydrophobicContact CB-CE 4.49Å; A62-M114 HydrophobicContact CB-SD 3.86Å; K63-M114 HydrophobicContact CB-CG 4.18Å; K63-M114 HydrophobicContact CG-CG 4.41Å; L66-M114 HydrophobicContact CD2-CB 3.64Å; L66-M114 HydrophobicContact CD2-CG 3.72Å; L66-M114 HydrophobicContact CD2-SD 4.31Å; I84-M114 HydrophobicContact CD1-CB 4.03Å; I84-M114 HydrophobicContact CG2-CE 3.86Å; F86-M114 HydrophobicContact CD2-CE 4.46Å; N110-M114 WeakPolarHBondContact O-CG 3.29Å; N110-M114 PolarHBondContact O-N 3.37Å; L111-M114 HydrophobicContact CD2-CE 3.64Å; L111-M114 PolarHBondContact O-N 3.08Å; L111-M114 VanDerWaalsContact O-N 3.1Å; K112-M114 VanDerWaalsContact C-N 3.34Å; K112-M114 PolarHBondContact O-N 2.95Å; M114-Y117 PolarHBondContact O-N 2.92Å; M114-L118 VanDerWaalsContact O-CG 3.31Å; M114-L118 WeakPolarHBondContact O-CG 3.16Å; M114-L118 PolarHBondContact O-N 3.35Å
115V98.8Very high97.8Very high2 Ų245.5 Ų45.51%0.01224%0.24CC..Hα-helixtrans-61.6-46175.1178.30000111.3I84 L111 K112 Y117 L118 K119 E125 V128 L130 C173 T175I84-V115 HydrophobicContact CD1-CG2 4.41Å; L111-V115 WeakPolarHBondContact O-CG2 3.5Å; L111-V115 PolarHBondContact O-N 3.33Å; K112-V115 PolarHBondContact O-N 2.98Å; V115-Y117 VanDerWaalsContact C-N 3.32Å; V115-Y117 PolarHBondContact O-N 3.2Å; V115-L118 WeakPolarHBondContact O-CB 3.48Å; V115-L118 PolarHBondContact O-N 3.46Å; V115-K119 PolarHBondContact O-N 3.03Å; V115-E125 HydrophobicContact CG1-CB 4.47Å; V115-E125 HydrophobicContact CG1-CG 3.84Å; V115-V128 HydrophobicContact CG2-CG1 4.33Å; V115-L130 HydrophobicContact CG2-CD2 4.18Å; V115-C173 HydrophobicContact CB-CB 4.48Å; V115-C173 HydrophobicContact CG1-CB 3.87Å; V115-T175 HydrophobicContact CG1-CG2 3.72Å; V115-T175 HydrophobicContact CG2-CG2 4.11Å
116Q98.6Very high97.7Very high107 Ų10742.3 Ų42.350%0.523%0.228SC..Hα-helixtrans-62.1-39.1176.8-72.6173-17.900112.5K112 K119 S120K112-Q116 WeakPolarHBondContact O-CB 3.37Å; K112-Q116 VanDerWaalsContact O-CG 3.26Å; K112-Q116 WeakPolarHBondContact O-CG 3.44Å; K112-Q116 PolarHBondContact O-N 2.9Å; Q116-K119 WeakPolarHBondContact O-CB 3.29Å; Q116-K119 PolarHBondContact O-N 3.22Å; Q116-S120 PolarHBondContact O-N 3.43Å
117Y98.4Very high97.6Very high54 Ų5443.6 Ų43.621%0.21223%0.231CC..Hα-helixtrans-61.9-48174.1175-99.7000111.3L66 P67 I70 S113 M114 V115 K119 S120 V121L66-Y117 HydrophobicContact CD2-CD1 3.76Å; L66-Y117 HydrophobicContact CG-CD1 3.76Å; L66-Y117 HydrophobicContact CG-CE1 4.06Å; P67-Y117 VanDerWaalsContact CA-CZ 3.45Å; P67-Y117 WeakPolarHBondContact CA-OH 3.42Å; P67-Y117 HydrophobicContact CB-CE1 4.11Å; P67-Y117 HydrophobicContact CB-CE2 3.78Å; P67-Y117 WeakPolarHBondContact CB-OH 3.25Å; P67-Y117 HydrophobicContact CG-CD1 4.33Å; P67-Y117 HydrophobicContact CG-CD2 4.05Å; P67-Y117 HydrophobicContact CG-CE1 4.01Å; P67-Y117 HydrophobicContact CG-CE2 3.72Å; P67-Y117 HydrophobicContact CG-CG 4.35Å; I70-Y117 WeakPolarHBondContact O-CE1 3.39Å; I70-Y117 PolarHBondContact O-OH 3.43Å; S113-Y117 WeakPolarHBondContact O-CB 3.48Å; S113-Y117 PolarHBondContact O-N 3.2Å; M114-Y117 PolarHBondContact O-N 2.92Å; V115-Y117 VanDerWaalsContact C-N 3.32Å; V115-Y117 PolarHBondContact O-N 3.2Å; Y117-K119 VanDerWaalsContact C-N 3.28Å; Y117-K119 PolarHBondContact O-N 3.49Å; Y117-S120 WeakPolarHBondContact O-CA 3.44Å; Y117-S120 WeakPolarHBondContact O-CB 3.29Å; Y117-S120 PolarHBondContact O-N 3.12Å; Y117-S120 PolarHBondContact O-OG 3.17Å; Y117-V121 HydrophobicContact CE1-CG1 4.27Å; Y117-V121 HydrophobicContact CE1-CG2 4.21Å; Y117-V121 HydrophobicContact CE2-CG1 3.95Å; Y117-V121 PolarHBondContact O-N 3.13Å
118L97.8Very high97.6Very high0 Ų043.6 Ų43.60%023%0.231CC..Hα-helixtrans-55.5-45.2176.6-69.4175.3000111.3L66 I70 V82 I84 M114 V115 S120 V121 D122 I123 V128L66-L118 HydrophobicContact CD1-CD2 4.24Å; L66-L118 HydrophobicContact CD2-CD2 4.31Å; L66-L118 HydrophobicContact CD2-CG 4.26Å; I70-L118 HydrophobicContact CD1-CD2 3.46Å; I70-L118 VanDerWaalsContact CD1-CD2 3.46Å; V82-L118 HydrophobicContact CB-CD1 4.36Å; V82-L118 HydrophobicContact CG1-CD1 4.09Å; I84-L118 HydrophobicContact CD1-CD1 3.93Å; M114-L118 VanDerWaalsContact O-CG 3.31Å; M114-L118 WeakPolarHBondContact O-CG 3.16Å; M114-L118 PolarHBondContact O-N 3.35Å; V115-L118 WeakPolarHBondContact O-CB 3.48Å; V115-L118 PolarHBondContact O-N 3.46Å; L118-S120 VanDerWaalsContact C-N 3.31Å; L118-S120 PolarHBondContact O-N 3.29Å; L118-V121 CarbonylContact O-C 3.6Å; L118-V121 VanDerWaalsContact O-CG2 3.25Å; L118-V121 WeakPolarHBondContact O-CG2 3.42Å; L118-V121 PolarHBondContact O-N 2.94Å; L118-V121 VanDerWaalsContact O-N 3.12Å; L118-D122 PolarHBondContact O-N 2.98Å; L118-I123 CarbonylContact C-O 3.47Å; L118-I123 VanDerWaalsContact C-O 3.25Å; L118-I123 HydrophobicContact CB-CB 4.12Å; L118-I123 HydrophobicContact CB-CG2 4.33Å; L118-I123 HydrophobicContact CD2-CD1 3.76Å; L118-I123 WeakPolarHBondContact O-CB 3.25Å; L118-I123 PolarHBondContact O-N 3.21Å; L118-V128 HydrophobicContact CB-CG2 4.41Å; L118-V128 HydrophobicContact CD1-CG1 4.28Å; L118-V128 HydrophobicContact CD1-CG2 3.66Å
119K97.1Very high97.6Very high113 Ų11342.4 Ų42.449%0.49122%0.221SC..Hα-helixtrans-57.3-43.4174-167.6-168.8-163.2157.70112.4V115 Q116 Y117 V121 D122 I123 E125V115-K119 PolarHBondContact O-N 3.03Å; Q116-K119 WeakPolarHBondContact O-CB 3.29Å; Q116-K119 PolarHBondContact O-N 3.22Å; Y117-K119 VanDerWaalsContact C-N 3.28Å; Y117-K119 PolarHBondContact O-N 3.49Å; K119-V121 PolarHBondContact O-N 3.07Å; K119-D122 PolarHBondContact O-N 3.11Å; K119-D122 VanDerWaalsContact O-N 3.14Å; K119-I123 VanDerWaalsContact CA-O 3.25Å; K119-I123 WeakPolarHBondContact CA-O 3.49Å; K119-I123 PolarHBondContact N-O 3.35Å; K119-E125 WeakPolarHBondContact CD-OE1 3.33Å; K119-E125 WeakPolarHBondContact CE-OE1 3.35Å; K119-E125 WeakPolarHBondContact CE-OE2 3.48Å; K119-E125 IonicContact NZ-OE1 2.7Å; K119-E125 PolarHBondContact NZ-OE1 2.99Å; K119-E125 IonicContact NZ-OE2 2.64Å
120S96Very high97.6Very high69 Ų6940 Ų4048%0.48320%0.202SC..Hα-helixtrans-65.2-18.8-179.880.40000114.3Q116 Y117 L118Q116-S120 PolarHBondContact O-N 3.43Å; Y117-S120 WeakPolarHBondContact O-CA 3.44Å; Y117-S120 WeakPolarHBondContact O-CB 3.29Å; Y117-S120 PolarHBondContact O-N 3.12Å; Y117-S120 PolarHBondContact O-OG 3.17Å; L118-S120 VanDerWaalsContact C-N 3.31Å; L118-S120 PolarHBondContact O-N 3.29Å
121V95.1Very high97.6Very high9 Ų940 Ų406%0.05520%0.201CC..THydrogen-bonded Turntrans-109.130175.9-570000112.3I70 K72 Y117 L118 K119 I123I70-V121 HydrophobicContact CG2-CG2 3.98Å; K72-V121 HydrophobicContact CB-CB 4.22Å; K72-V121 HydrophobicContact CB-CG1 4.03Å; Y117-V121 HydrophobicContact CE1-CG1 4.27Å; Y117-V121 HydrophobicContact CE1-CG2 4.21Å; Y117-V121 HydrophobicContact CE2-CG1 3.95Å; Y117-V121 PolarHBondContact O-N 3.13Å; L118-V121 CarbonylContact O-C 3.6Å; L118-V121 VanDerWaalsContact O-CG2 3.25Å; L118-V121 WeakPolarHBondContact O-CG2 3.42Å; L118-V121 PolarHBondContact O-N 2.94Å; L118-V121 VanDerWaalsContact O-N 3.12Å; K119-V121 PolarHBondContact O-N 3.07Å; V121-I123 VanDerWaalsContact C-N 3.33Å; V121-I123 HydrophobicContact CG2-CD1 4.26Å; V121-I123 PolarHBondContact O-N 2.69Å
122D94.6Very high97.6Very high76 Ų7639.9 Ų39.941%0.40620%0.201SC..THydrogen-bonded Turntrans69.421.5171.1-51-54.3000115.1K72 I78 L118 K119 P124K72-D122 VanDerWaalsContact CE-OD2 3.23Å; K72-D122 WeakPolarHBondContact CE-OD2 3.47Å; K72-D122 IonicContact NZ-OD2 3.61Å; I78-D122 HydrophobicContact CD1-CB 3.68Å; I78-D122 WeakPolarHBondContact CG2-O 3.35Å; L118-D122 PolarHBondContact O-N 2.98Å; K119-D122 PolarHBondContact O-N 3.11Å; K119-D122 VanDerWaalsContact O-N 3.14Å; D122-P124 VanDerWaalsContact O-CD 3.29Å; D122-P124 WeakPolarHBondContact O-CD 3.31Å
123I95.9Very high97.6Very high1 Ų135.9 Ų35.91%0.00518%0.183CC..  trans-10297.2168.4-58.8163.6000108.1I70 I78 P79 V82 L118 K119 V121 R127 V128I70-I123 HydrophobicContact CD1-CD1 4.19Å; I70-I123 HydrophobicContact CG2-CD1 3.63Å; I78-I123 HydrophobicContact CG2-CG1 3.64Å; P79-I123 HydrophobicContact CG-CD1 4.09Å; V82-I123 HydrophobicContact CG2-CD1 4.23Å; V82-I123 HydrophobicContact CG2-CG2 4.12Å; L118-I123 CarbonylContact C-O 3.47Å; L118-I123 VanDerWaalsContact C-O 3.25Å; L118-I123 HydrophobicContact CB-CB 4.12Å; L118-I123 HydrophobicContact CB-CG2 4.33Å; L118-I123 HydrophobicContact CD2-CD1 3.76Å; L118-I123 WeakPolarHBondContact O-CB 3.25Å; L118-I123 PolarHBondContact O-N 3.21Å; K119-I123 VanDerWaalsContact CA-O 3.25Å; K119-I123 WeakPolarHBondContact CA-O 3.49Å; K119-I123 PolarHBondContact N-O 3.35Å; V121-I123 VanDerWaalsContact C-N 3.33Å; V121-I123 HydrophobicContact CG2-CD1 4.26Å; V121-I123 PolarHBondContact O-N 2.69Å; I123-R127 HydrophobicContact CG2-CB 4.03Å; I123-V128 HydrophobicContact CG2-CG2 4.36Å
124P95.8Very high97.5Very high47 Ų4734.1 Ų34.131%0.30517%0.171SC..  trans-63.4155.8-179.326.3-35.4000112.2D122 N126 R127D122-P124 VanDerWaalsContact O-CD 3.29Å; D122-P124 WeakPolarHBondContact O-CD 3.31Å; P124-N126 WeakPolarHBondContact CB-OD1 3.46Å; P124-N126 VanDerWaalsContact CG-OD1 3.29Å; P124-N126 WeakPolarHBondContact CG-OD1 3.24Å; P124-N126 PolarHBondContact O-N 3.39Å; P124-N126 VanDerWaalsContact O-N 3.17Å; P124-R127 HydrophobicContact CG-CG 4.06Å; P124-R127 WeakPolarHBondContact O-CB 3.29Å; P124-R127 PolarHBondContact O-N 3.09Å
125E97.2Very high97.5Very high45 Ų4534 Ų3421%0.2117%0.17CC..G310 helixtrans-59.2-32.4-174.3-6097.1140.900112.6V115 K119 R127 V128 C173 T175V115-E125 HydrophobicContact CG1-CB 4.47Å; V115-E125 HydrophobicContact CG1-CG 3.84Å; K119-E125 WeakPolarHBondContact CD-OE1 3.33Å; K119-E125 WeakPolarHBondContact CE-OE1 3.35Å; K119-E125 WeakPolarHBondContact CE-OE2 3.48Å; K119-E125 IonicContact NZ-OE1 2.7Å; K119-E125 PolarHBondContact NZ-OE1 2.99Å; K119-E125 IonicContact NZ-OE2 2.64Å; E125-R127 PolarHBondContact O-N 3.18Å; E125-R127 VanDerWaalsContact O-N 3.13Å; E125-V128 WeakPolarHBondContact O-CB 3.48Å; E125-V128 PolarHBondContact O-N 2.9Å; E125-C173 WeakPolarHBondContact CB-O 3.16Å; E125-C173 WeakPolarHBondContact CG-O 3.3Å; E125-T175 HydrophobicContact CB-CG2 4.06Å
126N96.1Very high97.4Very high105 Ų10534.1 Ų34.156%0.56117%0.171SC*.G310 helixtrans-68.3-6.6175.574.4-15.1000114.3P124 K219P124-N126 WeakPolarHBondContact CB-OD1 3.46Å; P124-N126 VanDerWaalsContact CG-OD1 3.29Å; P124-N126 WeakPolarHBondContact CG-OD1 3.24Å; P124-N126 PolarHBondContact O-N 3.39Å; P124-N126 VanDerWaalsContact O-N 3.17Å; N126-K219 PolarHBondContact O-NZ 2.91Å
127R97.3Very high97.4Very high83 Ų8330.1 Ų30.131%0.31315%0.154SC..G310 helixtrans-96.2-9.8169.1-69-173.2-174.7-177.73.4112.6P79 V80 A81 V82 I123 P124 E125P79-R127 WeakPolarHBondContact O-CD 3.12Å; P79-R127 PolarHBondContact O-NH1 2.97Å; P79-R127 VanDerWaalsContact O-NH1 3.1Å; V80-R127 WeakPolarHBondContact O-CD 3.47Å; V80-R127 WeakPolarHBondContact O-CG 3.34Å; A81-R127 CarbonylContact C-O 3.54Å; A81-R127 VanDerWaalsContact CA-O 3.25Å; A81-R127 WeakPolarHBondContact CA-O 3.24Å; V82-R127 PolarHBondContact N-O 2.88Å; I123-R127 HydrophobicContact CG2-CB 4.03Å; P124-R127 HydrophobicContact CG-CG 4.06Å; P124-R127 WeakPolarHBondContact O-CB 3.29Å; P124-R127 PolarHBondContact O-N 3.09Å; E125-R127 PolarHBondContact O-N 3.18Å; E125-R127 VanDerWaalsContact O-N 3.13Å
128V98.8Very high97.4Very high0 Ų031 Ų310%016%0.16CC..EExtended strand (participates in β ladder)trans-90.7137.2178.7-173.10000109.5V82 I84 V115 L118 I123 E125 L130 T175 D176V82-V128 CarbonylContact O-C 3.45Å; V82-V128 WeakPolarHBondContact O-CA 3.45Å; I84-V128 HydrophobicContact CD1-CG1 4.02Å; I84-V128 HydrophobicContact CG1-CG1 4.25Å; V115-V128 HydrophobicContact CG2-CG1 4.33Å; L118-V128 HydrophobicContact CB-CG2 4.41Å; L118-V128 HydrophobicContact CD1-CG1 4.28Å; L118-V128 HydrophobicContact CD1-CG2 3.66Å; I123-V128 HydrophobicContact CG2-CG2 4.36Å; E125-V128 WeakPolarHBondContact O-CB 3.48Å; E125-V128 PolarHBondContact O-N 2.9Å; V128-L130 HydrophobicContact CG1-CD2 4.13Å; V128-T175 HydrophobicContact CB-CG2 3.89Å; V128-T175 HydrophobicContact CG1-CG2 4.19Å; V128-D176 PolarHBondContact O-N 3.16Å
129I98.9Very high97.4Very high0 Ų035.6 Ų35.60%019%0.189CC..EExtended strand (participates in β ladder)trans-120.1116.9169.3-54.3170.5000107.1V82 T83 I84 I131 D176 L212 L215 I216 K219V82-I129 PolarHBondContact O-N 2.88Å; T83-I129 CarbonylContact C-O 3.48Å; T83-I129 VanDerWaalsContact CA-O 3.31Å; T83-I129 WeakPolarHBondContact CA-O 3.14Å; T83-I129 HydrophobicContact CG2-CB 4.44Å; I84-I129 PolarHBondContact N-O 3.39Å; I129-I131 HydrophobicContact CG2-CG1 4.31Å; I129-D176 WeakPolarHBondContact CA-O 3.47Å; I129-D176 HydrophobicContact CG1-CB 4.13Å; I129-L212 HydrophobicContact CD1-CD1 4.03Å; I129-L212 HydrophobicContact CG2-CD1 4.16Å; I129-L215 HydrophobicContact CD1-CB 3.79Å; I129-L215 HydrophobicContact CG2-CD1 3.95Å; I129-I216 HydrophobicContact CD1-CD1 3.48Å; I129-I216 VanDerWaalsContact CD1-CD1 3.48Å; I129-I216 HydrophobicContact CD1-CG1 4.11Å; I129-K219 HydrophobicContact CD1-CD 4.29Å; I129-K219 VanDerWaalsContact CD1-CE 3.45Å; I129-K219 HydrophobicContact CG1-CD 4.49Å
130L98.9Very high97.5Very high0 Ų031.6 Ų31.60%018%0.177CC..EExtended strand (participates in β ladder)trans-81.9138.4166.8-59.8-170.6000109I84 V115 V128 V169 A170 D176 V177 L178I84-L130 HydrophobicContact CB-CD2 3.68Å; I84-L130 HydrophobicContact CD1-CD2 3.96Å; I84-L130 HydrophobicContact CG1-CD2 4.2Å; I84-L130 HydrophobicContact CG2-CD2 4.22Å; V115-L130 HydrophobicContact CG2-CD2 4.18Å; V128-L130 HydrophobicContact CG1-CD2 4.13Å; L130-V169 HydrophobicContact CD1-CB 4.33Å; L130-V169 HydrophobicContact CD1-CG1 3.91Å; L130-A170 HydrophobicContact CB-CB 4.46Å; L130-A170 HydrophobicContact CD1-CB 3.97Å; L130-A170 HydrophobicContact CG-CB 4.46Å; L130-D176 PolarHBondContact N-O 3.06Å; L130-V177 HydrophobicContact CB-CG2 4.18Å; L130-V177 CarbonylContact O-C 3.38Å; L130-V177 VanDerWaalsContact O-CA 3.25Å; L130-V177 WeakPolarHBondContact O-CA 3.48Å; L130-V177 WeakPolarHBondContact O-CG2 3.31Å; L130-L178 PolarHBondContact O-N 3.1Å
131I98.9Very high97.6Very high0 Ų029.2 Ų29.20%016%0.157CC..EExtended strand (participates in β ladder)trans-118.2122174-52.1179.2000106.7T83 I84 F85 I129 L178 L180 L212T83-I131 HydrophobicContact CG2-CD1 4.31Å; I84-I131 PolarHBondContact O-N 2.92Å; F85-I131 HydrophobicContact CB-CB 4.05Å; F85-I131 HydrophobicContact CB-CD1 4.27Å; F85-I131 HydrophobicContact CB-CG1 4.5Å; F85-I131 HydrophobicContact CD1-CB 4.46Å; F85-I131 HydrophobicContact CD1-CD1 4.28Å; F85-I131 HydrophobicContact CD1-CG2 4.29Å; F85-I131 HydrophobicContact CD2-CB 3.65Å; F85-I131 HydrophobicContact CD2-CG2 3.62Å; F85-I131 HydrophobicContact CE1-CG2 4.27Å; F85-I131 HydrophobicContact CE2-CB 4.18Å; F85-I131 HydrophobicContact CE2-CG2 3.6Å; F85-I131 HydrophobicContact CG-CB 3.82Å; F85-I131 HydrophobicContact CG-CD1 4.28Å; F85-I131 HydrophobicContact CG-CG2 3.98Å; F85-I131 HydrophobicContact CZ-CG2 3.93Å; I129-I131 HydrophobicContact CG2-CG1 4.31Å; I131-L178 HydrophobicContact CG1-CB 4.36Å; I131-L178 HydrophobicContact CG2-CB 4.4Å; I131-L178 HydrophobicContact CG2-CD2 4.25Å; I131-L178 HydrophobicContact CG2-CG 4.47Å; I131-L180 HydrophobicContact CG2-CB 4.09Å; I131-L180 HydrophobicContact CG2-CD2 4.06Å; I131-L212 HydrophobicContact CD1-CD1 4.15Å; I131-L212 HydrophobicContact CD1-CD2 4.11Å
132T98.9Very high97.7Very high0 Ų032.9 Ų32.90%017%0.174CC..PPolyproline II helixtrans-64149.3175.562.20000110F85 A163 C166 L167 L178 L180 W181F85-T132 VanDerWaalsContact CE2-O 3.24Å; F85-T132 WeakPolarHBondContact CE2-O 3.27Å; T132-A163 HydrophobicContact CG2-CB 4.28Å; T132-C166 HydrophobicContact CG2-CB 4.17Å; T132-L167 HydrophobicContact CG2-CD2 3.71Å; T132-L167 HydrophobicContact CG2-CG 3.92Å; T132-L178 PolarHBondContact N-O 3.32Å; T132-L178 VanDerWaalsContact N-O 3.1Å; T132-L178 PolarHBondContact OG1-O 2.86Å; T132-L180 PolarHBondContact OG1-N 2.88Å; T132-W181 PolarHBondContact OG1-N 2.98Å
133P98.8Very high97.9Very high0 Ų035.5 Ų35.50%018%0.181CC..PPolyproline II helixtrans-54.4149.4174.125.2-35.4000112V159 A163 W181P133-V159 HydrophobicContact CB-CG1 3.86Å; P133-V159 HydrophobicContact CG-CG1 3.78Å; P133-A163 HydrophobicContact CG-CB 4.26Å; P133-W181 VanDerWaalsContact O-CB 3.29Å; P133-W181 WeakPolarHBondContact O-CB 3.42Å
134T97.3Very high98Very high4 Ų438.3 Ų38.33%0.02520%0.195CC..PPolyproline II helixtrans-65.4152.6172.450.80000110.6I25 F85 V159 L180 M184 L198 L200I25-T134 HydrophobicContact CD1-CG2 4.22Å; F85-T134 HydrophobicContact CZ-CG2 4.02Å; T134-V159 WeakPolarHBondContact O-CG1 3.36Å; T134-L180 HydrophobicContact CG2-CD2 3.7Å; T134-L180 HydrophobicContact CG2-CG 4.44Å; T134-M184 HydrophobicContact CG2-SD 3.95Å; T134-L198 PolarHBondContact OG1-O 2.87Å; T134-L200 HydrophobicContact CG2-CD2 3.77Å; T134-L200 HydrophobicContact CG2-CG 4.44Å
135P97.9Very high98Very high0 Ų036.2 Ų36.20%018%0.181CC..PPolyproline II helixtrans-61.1157.1169.430.9-36.1000110.8N156 M184 Q185 F190 L194P135-N156 VanDerWaalsContact CA-OD1 3.25Å; P135-N156 WeakPolarHBondContact CA-OD1 3.13Å; P135-N156 WeakPolarHBondContact CB-OD1 3.34Å; P135-M184 HydrophobicContact CG-CB 3.84Å; P135-M184 HydrophobicContact CG-CE 4.21Å; P135-M184 HydrophobicContact CG-SD 4.32Å; P135-Q185 HydrophobicContact CB-CG 3.83Å; P135-Q185 HydrophobicContact CG-CG 4.03Å; P135-F190 HydrophobicContact CB-CD2 3.9Å; P135-F190 HydrophobicContact CB-CE2 3.86Å; P135-F190 HydrophobicContact CB-CZ 4.5Å; P135-F190 HydrophobicContact CG-CD2 3.61Å; P135-F190 HydrophobicContact CG-CE2 4.08Å; P135-F190 HydrophobicContact CG-CG 4.23Å; P135-L194 VanDerWaalsContact O-CD1 3.24Å; P135-L194 WeakPolarHBondContact O-CD1 3.43Å
136L98.3Very high98Very high4 Ų439.3 Ų39.32%0.02120%0.198CC..  trans-104.5129.4178-175.487.1000109.9E138 W141 R154 N156 V159 G197 L198L136-E138 HydrophobicContact CD2-CG 3.77Å; L136-E138 PolarHBondContact O-N 2.85Å; L136-W141 HydrophobicContact CD1-CB 4.06Å; L136-W141 HydrophobicContact CD1-CG 3.89Å; L136-W141 HydrophobicContact CG-CB 4.48Å; L136-R154 HydrophobicContact CD1-CB 4.11Å; L136-R154 VanDerWaalsContact CD2-C 3.4Å; L136-R154 HydrophobicContact CD2-CB 3.52Å; L136-R154 VanDerWaalsContact CD2-O 3.25Å; L136-R154 WeakPolarHBondContact CD2-O 3.32Å; L136-R154 HydrophobicContact CG-CB 4.47Å; L136-N156 HydrophobicContact CB-CB 4.12Å; L136-N156 PolarHBondContact N-OD1 3.08Å; L136-N156 WeakPolarHBondContact O-CB 3.35Å; L136-V159 HydrophobicContact CB-CG2 4.19Å; L136-G197 WeakPolarHBondContact CD1-O 3.3Å; L136-L198 HydrophobicContact CD1-CB 4.34Å; L136-L198 HydrophobicContact CD1-CD1 3.71Å
137C98.2Very high98.1Very high22 Ų2240.4 Ų40.415%0.14920%0.202CC..  trans-91.596.7164.7-178.80000108.9T139 A140 W141 F190 L194 G197C137-T139 VanDerWaalsContact C-N 3.34Å; C137-T139 PolarHBondContact O-N 3.04Å; C137-A140 HydrophobicContact CB-CB 4.2Å; C137-A140 PolarHBondContact O-N 3.36Å; C137-A140 VanDerWaalsContact O-N 3.16Å; C137-W141 WeakPolarHBondContact O-CB 3.48Å; C137-W141 PolarHBondContact O-N 3.37Å; C137-F190 HydrophobicContact CB-CE2 4.27Å; C137-L194 HydrophobicContact CB-CD1 4.01Å; C137-G197 PolarHBondContact N-O 3.14Å
138E98.2Very high97.9Very high72 Ų7242.8 Ų42.834%0.33622%0.217SC..Hα-helixtrans-54.9-46.1-175.1-69.9167.7-177.500112.4L136 A140 W141 E142 L152 L155 N156L136-E138 HydrophobicContact CD2-CG 3.77Å; L136-E138 PolarHBondContact O-N 2.85Å; E138-A140 VanDerWaalsContact C-N 3.31Å; E138-A140 PolarHBondContact O-N 2.95Å; E138-W141 PolarHBondContact O-N 2.88Å; E138-E142 VanDerWaalsContact O-CB 3.26Å; E138-E142 WeakPolarHBondContact O-CB 3.3Å; E138-E142 PolarHBondContact O-N 3.47Å; E138-L152 HydrophobicContact CB-CD2 4.15Å; E138-L152 HydrophobicContact CG-CD2 4.36Å; E138-L155 HydrophobicContact CG-CD2 4.41Å; E138-L155 VanDerWaalsContact OE1-CA 3.27Å; E138-L155 WeakPolarHBondContact OE1-CA 3.4Å; E138-N156 PolarHBondContact OE1-N 2.93Å
139T97.6Very high97.8Very high98 Ų9846.2 Ų46.260%0.60125%0.253SS*.Hα-helixtrans-62.4-35-179.6-50.60000113.2C137 K143C137-T139 VanDerWaalsContact C-N 3.34Å; C137-T139 PolarHBondContact O-N 3.04Å; T139-K143 WeakPolarHBondContact O-CG 3.5Å
140A98Very high97.6Very high29 Ų2949.1 Ų49.124%0.2427%0.272CS..Hα-helixtrans-77.6-44.7176.800000110.6C137 E138 E142 K143 D196C137-A140 HydrophobicContact CB-CB 4.2Å; C137-A140 PolarHBondContact O-N 3.36Å; C137-A140 VanDerWaalsContact O-N 3.16Å; E138-A140 VanDerWaalsContact C-N 3.31Å; E138-A140 PolarHBondContact O-N 2.95Å; A140-E142 VanDerWaalsContact C-N 3.35Å; A140-E142 PolarHBondContact O-N 3.44Å; A140-K143 WeakPolarHBondContact O-CB 3.36Å; A140-K143 PolarHBondContact O-N 3.34Å; A140-D196 CarbonylContact C-O 3.45Å
141W98.3Very high97.4Very high18 Ų1856 Ų567%0.06830%0.302CS..Hα-helixtrans-67.4-33.3-178.9-174.3-117.1000113.4L136 C137 E138 K143 E144 C145 N153 D196 L198L136-W141 HydrophobicContact CD1-CB 4.06Å; L136-W141 HydrophobicContact CD1-CG 3.89Å; L136-W141 HydrophobicContact CG-CB 4.48Å; C137-W141 WeakPolarHBondContact O-CB 3.48Å; C137-W141 PolarHBondContact O-N 3.37Å; E138-W141 PolarHBondContact O-N 2.88Å; W141-K143 VanDerWaalsContact C-N 3.26Å; W141-K143 PolarHBondContact O-N 2.93Å; W141-E144 HydrophobicContact CE3-CB 4.07Å; W141-E144 HydrophobicContact CE3-CG 4.28Å; W141-E144 HydrophobicContact CZ3-CB 4.19Å; W141-E144 HydrophobicContact CZ3-CG 4.45Å; W141-E144 PolarHBondContact O-N 3.3Å; W141-C145 PolarHBondContact NE1-SG 3.4Å; W141-C145 VanDerWaalsContact NE1-SG 3.4Å; W141-C145 PolarHBondContact O-N 2.95Å; W141-C145 PolarHBondContact O-SG 2.86Å; W141-N153 PolarHBondContact NE1-OD1 2.97Å; W141-D196 WeakPolarHBondContact CA-O 3.27Å; W141-D196 PolarHBondContact N-O 3.47Å; W141-L198 HydrophobicContact CD2-CB 4Å; W141-L198 HydrophobicContact CE3-CB 3.49Å; W141-L198 VanDerWaalsContact CE3-CB 3.49Å; W141-L198 HydrophobicContact CE3-CG 4.48Å; W141-L198 HydrophobicContact CH2-CB 4.25Å; W141-L198 HydrophobicContact CH2-CD2 3.86Å; W141-L198 HydrophobicContact CH2-CG 4.48Å; W141-L198 HydrophobicContact CZ2-CD1 4.48Å; W141-L198 HydrophobicContact CZ2-CD2 4.37Å; W141-L198 HydrophobicContact CZ3-CB 3.63Å; W141-L198 HydrophobicContact CZ3-CD2 3.99Å; W141-L198 HydrophobicContact CZ3-CG 4.33Å
142E98.3Very high97.4Very high87 Ų8757.5 Ų57.541%0.40731%0.31SS..Hα-helixtrans-59.7-38.3174.8-176.4172-128.600111.4E138 A140 E144 C145 I146 L152E138-E142 VanDerWaalsContact O-CB 3.26Å; E138-E142 WeakPolarHBondContact O-CB 3.3Å; E138-E142 PolarHBondContact O-N 3.47Å; A140-E142 VanDerWaalsContact C-N 3.35Å; A140-E142 PolarHBondContact O-N 3.44Å; E142-E144 VanDerWaalsContact C-N 3.34Å; E142-E144 PolarHBondContact O-N 2.9Å; E142-C145 WeakPolarHBondContact O-CB 3.4Å; E142-C145 PolarHBondContact O-N 2.92Å; E142-I146 HydrophobicContact CG-CD1 3.94Å; E142-I146 HydrophobicContact CG-CG1 4.42Å; E142-I146 VanDerWaalsContact O-CG1 3.29Å; E142-I146 WeakPolarHBondContact O-CG1 3.5Å; E142-I146 PolarHBondContact O-N 3.16Å; E142-L152 HydrophobicContact CB-CB 4.34Å; E142-L152 HydrophobicContact CB-CD1 4.11Å; E142-L152 HydrophobicContact CG-CB 4.21Å
143K98.2Very high97.3Very high131 Ų13158.1 Ų58.157%0.5731%0.313SS*.Hα-helixtrans-61.8-43.7176.6-64.1171.9-175.9176.10111.1T139 A140 W141 I146 I147T139-K143 WeakPolarHBondContact O-CG 3.5Å; A140-K143 WeakPolarHBondContact O-CB 3.36Å; A140-K143 PolarHBondContact O-N 3.34Å; W141-K143 VanDerWaalsContact C-N 3.26Å; W141-K143 PolarHBondContact O-N 2.93Å; K143-I146 PolarHBondContact O-N 2.84Å; K143-I147 VanDerWaalsContact O-CG1 3.29Å; K143-I147 WeakPolarHBondContact O-CG1 3.29Å; K143-I147 PolarHBondContact O-N 2.73Å
144E97.8Very high97.3Very high60 Ų6058.3 Ų58.328%0.2831%0.314SS..Hα-helixtrans-64.5-40.4175.4-63.4-52.7135.300112.3W141 E142 I146 I147 Q148 D196W141-E144 HydrophobicContact CE3-CB 4.07Å; W141-E144 HydrophobicContact CE3-CG 4.28Å; W141-E144 HydrophobicContact CZ3-CB 4.19Å; W141-E144 HydrophobicContact CZ3-CG 4.45Å; W141-E144 PolarHBondContact O-N 3.3Å; E142-E144 VanDerWaalsContact C-N 3.34Å; E142-E144 PolarHBondContact O-N 2.9Å; E144-I146 PolarHBondContact O-N 3.34Å; E144-I147 PolarHBondContact O-N 2.76Å; E144-Q148 WeakPolarHBondContact O-CG 3.42Å; E144-Q148 PolarHBondContact O-N 2.84Å; E144-Q148 VanDerWaalsContact O-N 3.12Å; E144-D196 HydrophobicContact CG-CB 3.86Å
145C96.9Very high97.4Very high2 Ų260.7 Ų60.71%0.01433%0.326CS..Hα-helixtrans-59.7-47.3175.1-67.70000110.9W141 E142 I147 Q148 G149 C150 K151W141-C145 PolarHBondContact NE1-SG 3.4Å; W141-C145 VanDerWaalsContact NE1-SG 3.4Å; W141-C145 PolarHBondContact O-N 2.95Å; W141-C145 PolarHBondContact O-SG 2.86Å; E142-C145 WeakPolarHBondContact O-CB 3.4Å; E142-C145 PolarHBondContact O-N 2.92Å; C145-I147 VanDerWaalsContact C-N 3.34Å; C145-I147 PolarHBondContact O-N 3.3Å; C145-Q148 CarbonylContact O-C 3.11Å; C145-Q148 WeakPolarHBondContact O-CA 3.18Å; C145-Q148 PolarHBondContact O-N 3.31Å; C145-G149 PolarHBondContact O-N 2.91Å; C145-G149 VanDerWaalsContact O-N 3.11Å; C145-C150 CarbonylContact C-O 3.53Å; C145-C150 HydrophobicContact CB-CB 4.21Å; C145-C150 WeakPolarHBondContact O-CA 3.5Å; C145-C150 PolarHBondContact O-N 3.06Å; C145-C150 VanDerWaalsContact O-O 3.05Å; C145-K151 WeakPolarHBondContact CB-O 3.34Å
146I97.6Very high97.4Very high110 Ų11061.7 Ų61.756%0.56433%0.332SS*.Hα-helixtrans-60.8-43.1179.2-69.4166.4000111.1E142 K143 E144 Q148 G149 C150E142-I146 HydrophobicContact CG-CD1 3.94Å; E142-I146 HydrophobicContact CG-CG1 4.42Å; E142-I146 VanDerWaalsContact O-CG1 3.29Å; E142-I146 WeakPolarHBondContact O-CG1 3.5Å; E142-I146 PolarHBondContact O-N 3.16Å; K143-I146 PolarHBondContact O-N 2.84Å; E144-I146 PolarHBondContact O-N 3.34Å; I146-Q148 PolarHBondContact O-N 2.65Å; I146-G149 PolarHBondContact O-N 2.64Å; I146-C150 PolarHBondContact N-O 3.19Å
147I96.9Very high97.4Very high128 Ų12865.2 Ų65.266%0.65636%0.357SS*.Hα-helixtrans-58.8-35.7176.2-70164.7000111.1K143 E144 C145 G149K143-I147 VanDerWaalsContact O-CG1 3.29Å; K143-I147 WeakPolarHBondContact O-CG1 3.29Å; K143-I147 PolarHBondContact O-N 2.73Å; E144-I147 PolarHBondContact O-N 2.76Å; C145-I147 VanDerWaalsContact C-N 3.34Å; C145-I147 PolarHBondContact O-N 3.3Å; I147-G149 VanDerWaalsContact C-N 3.31Å
148Q93.9Very high97.4Very high133 Ų13365.5 Ų65.562%0.62136%0.357SS*.THydrogen-bonded Turntrans-85.61.8178-64.3176.53700113.8E144 C145 I146 C150E144-Q148 WeakPolarHBondContact O-CG 3.42Å; E144-Q148 PolarHBondContact O-N 2.84Å; E144-Q148 VanDerWaalsContact O-N 3.12Å; C145-Q148 CarbonylContact O-C 3.11Å; C145-Q148 WeakPolarHBondContact O-CA 3.18Å; C145-Q148 PolarHBondContact O-N 3.31Å; I146-Q148 PolarHBondContact O-N 2.65Å; Q148-C150 VanDerWaalsContact C-N 3.34Å
149G95.8Very high97.5Very high73 Ų7362.2 Ų62.275%0.75334%0.342SS*.THydrogen-bonded Turntrans75.620.3-178.100000114.3C145 I146 I147C145-G149 PolarHBondContact O-N 2.91Å; C145-G149 VanDerWaalsContact O-N 3.11Å; I146-G149 PolarHBondContact O-N 2.64Å; I147-G149 VanDerWaalsContact C-N 3.31Å
150C94.3Very high97.5Very high61 Ų6157.7 Ų57.741%0.41232%0.316SS..  trans-110.7159.1-179.7-64.80000111.2C145 I146 Q148C145-C150 CarbonylContact C-O 3.53Å; C145-C150 HydrophobicContact CB-CB 4.21Å; C145-C150 WeakPolarHBondContact O-CA 3.5Å; C145-C150 PolarHBondContact O-N 3.06Å; C145-C150 VanDerWaalsContact O-O 3.05Å; I146-C150 PolarHBondContact N-O 3.19Å; Q148-C150 VanDerWaalsContact C-N 3.34Å
151K96.1Very high97.6Very high144 Ų14461.1 Ų61.163%0.62633%0.327SS*.  trans-83.3166.5166-61.7-179.7-172.1168.40110.5C145 N153C145-K151 WeakPolarHBondContact CB-O 3.34Å; K151-N153 PolarHBondContact O-N 3.16Å; K151-N153 VanDerWaalsContact O-N 3.08Å
152L98.1Very high97.6Very high32 Ų3260.6 Ų60.617%0.16833%0.325CS..  trans-53117.7168.6-179.664.5000109.4E138 E142 R154 L155E138-L152 HydrophobicContact CB-CD2 4.15Å; E138-L152 HydrophobicContact CG-CD2 4.36Å; E142-L152 HydrophobicContact CB-CB 4.34Å; E142-L152 HydrophobicContact CB-CD1 4.11Å; E142-L152 HydrophobicContact CG-CB 4.21Å; L152-R154 WeakPolarHBondContact CD1-O 3.23Å; L152-R154 WeakPolarHBondContact CG-O 3.25Å; L152-L155 HydrophobicContact CD2-CD2 3.93Å
153N97.9Very high97.6Very high13 Ų1356.5 Ų56.57%0.0731%0.305CS..  trans-116.59.8-168.161.319.8000113.5A92 L93 E96 N97 W141 K151A92-N153 CarbonylContact C-O 3.45Å; A92-N153 WeakPolarHBondContact CA-O 3.44Å; L93-N153 PolarHBondContact N-O 3Å; E96-N153 HydrophobicContact CB-CB 3.76Å; N97-N153 HydrophobicContact CB-CB 4.09Å; W141-N153 PolarHBondContact NE1-OD1 2.97Å; K151-N153 PolarHBondContact O-N 3.16Å; K151-N153 VanDerWaalsContact O-N 3.08Å
154R98.4Very high97.7Very high3 Ų354.8 Ų54.81%0.01130%0.302CS..  trans-148.8150.6179.2-72.3167.8-179.881.6-8.9108.3A88 N89 A92 L136 L152A88-R154 PolarHBondContact O-NE 3.21Å; N89-R154 PolarHBondContact OD1-NH2 3.04Å; A92-R154 HydrophobicContact CB-CG 4.21Å; L136-R154 HydrophobicContact CD1-CB 4.11Å; L136-R154 VanDerWaalsContact CD2-C 3.4Å; L136-R154 HydrophobicContact CD2-CB 3.52Å; L136-R154 VanDerWaalsContact CD2-O 3.25Å; L136-R154 WeakPolarHBondContact CD2-O 3.32Å; L136-R154 HydrophobicContact CG-CB 4.47Å; L152-R154 WeakPolarHBondContact CD1-O 3.23Å; L152-R154 WeakPolarHBondContact CG-O 3.25Å
155L98.6Very high97.7Very high54 Ų5452.7 Ų52.728%0.28330%0.295SS..  trans-129.6143.4173.3-62174.2000109.3L93 E138 L152 S157 V158 V159L93-L155 HydrophobicContact CD1-CD1 4.4Å; L93-L155 HydrophobicContact CD1-CG 4.2Å; L93-L155 HydrophobicContact CD2-CD1 4.18Å; L93-L155 HydrophobicContact CD2-CG 4.25Å; E138-L155 HydrophobicContact CG-CD2 4.41Å; E138-L155 VanDerWaalsContact OE1-CA 3.27Å; E138-L155 WeakPolarHBondContact OE1-CA 3.4Å; L152-L155 HydrophobicContact CD2-CD2 3.93Å; L155-S157 VanDerWaalsContact C-N 3.26Å; L155-S157 PolarHBondContact O-N 3.1Å; L155-V158 HydrophobicContact CB-CB 4.42Å; L155-V158 HydrophobicContact CB-CG2 4.08Å; L155-V158 HydrophobicContact CD1-CG2 4.46Å; L155-V158 PolarHBondContact O-N 3.44Å; L155-V159 WeakPolarHBondContact O-CG2 3.45Å; L155-V159 PolarHBondContact O-N 3.4Å
156N98.5Very high97.8Very high22 Ų2252.6 Ų52.612%0.11830%0.295CS..Hα-helixtrans-65.4-32.9-179.4-170.746.2000112P135 L136 E138 V158 V159 G160 W181 Q185P135-N156 VanDerWaalsContact CA-OD1 3.25Å; P135-N156 WeakPolarHBondContact CA-OD1 3.13Å; P135-N156 WeakPolarHBondContact CB-OD1 3.34Å; L136-N156 HydrophobicContact CB-CB 4.12Å; L136-N156 PolarHBondContact N-OD1 3.08Å; L136-N156 WeakPolarHBondContact O-CB 3.35Å; E138-N156 PolarHBondContact OE1-N 2.93Å; N156-V158 VanDerWaalsContact C-N 3.34Å; N156-V158 PolarHBondContact O-N 3.09Å; N156-V159 PolarHBondContact O-N 3.46Å; N156-G160 PolarHBondContact O-N 3.47Å; N156-W181 PolarHBondContact OD1-NE1 2.96Å; N156-Q185 PolarHBondContact ND2-OE1 2.87Å
157S98.5Very high97.9Very high78 Ų7849.4 Ų49.455%0.54528%0.279SS..Hα-helixtrans-59-45.1173.753.10000111.9L155 G160 E161L155-S157 VanDerWaalsContact C-N 3.26Å; L155-S157 PolarHBondContact O-N 3.1Å; S157-G160 PolarHBondContact O-N 2.94Å; S157-E161 PolarHBondContact O-N 3.01Å
158V98.8Very high98Very high27 Ų2747.8 Ų47.816%0.16427%0.268CS..Hα-helixtrans-66.6-43.8176.6179.40000110.1L93 L155 N156 G160 E161 Y162L93-V158 HydrophobicContact CD2-CG2 4.08Å; L155-V158 HydrophobicContact CB-CB 4.42Å; L155-V158 HydrophobicContact CB-CG2 4.08Å; L155-V158 HydrophobicContact CD1-CG2 4.46Å; L155-V158 PolarHBondContact O-N 3.44Å; N156-V158 VanDerWaalsContact C-N 3.34Å; N156-V158 PolarHBondContact O-N 3.09Å; V158-G160 PolarHBondContact O-N 2.85Å; V158-E161 WeakPolarHBondContact O-CB 3.35Å; V158-E161 PolarHBondContact O-N 2.92Å; V158-Y162 HydrophobicContact CG1-CD2 4.25Å; V158-Y162 HydrophobicContact CG1-CE2 3.77Å; V158-Y162 VanDerWaalsContact O-CD2 3.24Å; V158-Y162 WeakPolarHBondContact O-CD2 3.46Å; V158-Y162 PolarHBondContact O-N 2.56Å
159V98.8Very high98.2Very high3 Ų341.8 Ų41.82%0.01824%0.241CC..Hα-helixtrans-55.4-39.5174.6178.20000111.5S91 P133 T134 L136 L155 N156 E161 Y162 A163S91-V159 WeakPolarHBondContact OG-CG2 3.16Å; P133-V159 HydrophobicContact CB-CG1 3.86Å; P133-V159 HydrophobicContact CG-CG1 3.78Å; T134-V159 WeakPolarHBondContact O-CG1 3.36Å; L136-V159 HydrophobicContact CB-CG2 4.19Å; L155-V159 WeakPolarHBondContact O-CG2 3.45Å; L155-V159 PolarHBondContact O-N 3.4Å; N156-V159 PolarHBondContact O-N 3.46Å; V159-E161 VanDerWaalsContact C-N 3.31Å; V159-E161 PolarHBondContact O-N 3.02Å; V159-Y162 PolarHBondContact O-N 3.15Å; V159-Y162 VanDerWaalsContact O-N 3.12Å; V159-A163 PolarHBondContact O-N 2.92Å
160G98.8Very high98.4Very high4 Ų438.4 Ų38.44%0.04121%0.206CC..Hα-helixtrans-60.3-34.7175.300000113.9N156 S157 V158 A163 N164 W181N156-G160 PolarHBondContact O-N 3.47Å; S157-G160 PolarHBondContact O-N 2.94Å; V158-G160 PolarHBondContact O-N 2.85Å; G160-A163 PolarHBondContact O-N 2.69Å; G160-N164 PolarHBondContact O-N 2.7Å; G160-N164 PolarHBondContact O-ND2 2.77Å; G160-W181 VanDerWaalsContact CA-CE2 3.49Å
161E98.9Very high98.6Very high101 Ų10142.3 Ų42.347%0.47222%0.218SC..Hα-helixtrans-63.2-41.4173-62175-162.500111.6L104 S157 V158 V159 N164 A165L104-E161 HydrophobicContact CD1-CB 4.34Å; L104-E161 HydrophobicContact CD2-CB 4.16Å; S157-E161 PolarHBondContact O-N 3.01Å; V158-E161 WeakPolarHBondContact O-CB 3.35Å; V158-E161 PolarHBondContact O-N 2.92Å; V159-E161 VanDerWaalsContact C-N 3.31Å; V159-E161 PolarHBondContact O-N 3.02Å; E161-N164 PolarHBondContact O-N 3.24Å; E161-A165 PolarHBondContact O-N 3.22Å
162Y98.9Very high98.7Very high7 Ų740.1 Ų40.13%0.02721%0.213CC..Hα-helixtrans-71.5-35.5177.5-71.2-111.2000111.3D90 I102 L104 Y107 V158 V159 A165 C166D90-Y162 HydrophobicContact CB-CD1 3.91Å; D90-Y162 HydrophobicContact CB-CE1 3.76Å; D90-Y162 PolarHBondContact O-OH 3.28Å; I102-Y162 VanDerWaalsContact O-CE1 3.32Å; I102-Y162 WeakPolarHBondContact O-CE1 3.48Å; I102-Y162 PolarHBondContact O-OH 2.89Å; L104-Y162 HydrophobicContact CD1-CD1 3.98Å; L104-Y162 HydrophobicContact CD1-CD2 3.7Å; L104-Y162 HydrophobicContact CD1-CE1 4.17Å; L104-Y162 HydrophobicContact CD1-CE2 3.92Å; L104-Y162 HydrophobicContact CD1-CG 3.73Å; Y107-Y162 AromaticContact CD1-CD1 3.65Å; Y107-Y162 HydrophobicContact CD1-CD1 3.65Å; Y107-Y162 HydrophobicContact CD1-CE1 4.42Å; Y107-Y162 HydrophobicContact CD1-CG 4.35Å; Y107-Y162 AromaticContact CD2-CD1 3.85Å; Y107-Y162 HydrophobicContact CD2-CD1 3.85Å; Y107-Y162 HydrophobicContact CD2-CE1 4.4Å; Y107-Y162 HydrophobicContact CE1-CD1 4.07Å; Y107-Y162 HydrophobicContact CE1-CG 4.49Å; Y107-Y162 VanDerWaalsContact CE1-O 3.3Å; Y107-Y162 WeakPolarHBondContact CE1-O 3.39Å; Y107-Y162 HydrophobicContact CE2-CD1 4.25Å; Y107-Y162 AromaticContact CG-CD1 3.52Å; Y107-Y162 HydrophobicContact CG-CD1 3.52Å; Y107-Y162 AromaticContact CG-CE1 3.98Å; Y107-Y162 HydrophobicContact CG-CE1 3.98Å; V158-Y162 HydrophobicContact CG1-CD2 4.25Å; V158-Y162 HydrophobicContact CG1-CE2 3.77Å; V158-Y162 VanDerWaalsContact O-CD2 3.24Å; V158-Y162 WeakPolarHBondContact O-CD2 3.46Å; V158-Y162 PolarHBondContact O-N 2.56Å; V159-Y162 PolarHBondContact O-N 3.15Å; V159-Y162 VanDerWaalsContact O-N 3.12Å; Y162-A165 PolarHBondContact O-N 3.36Å; Y162-C166 WeakPolarHBondContact O-CB 3.35Å; Y162-C166 PolarHBondContact O-N 3.5Å
163A98.9Very high98.7Very high0 Ų039.6 Ų39.60%021%0.212CC..Hα-helixtrans-59.1-50.2171.200000111.2T132 P133 V159 G160 A165 C166 L167 W181T132-A163 HydrophobicContact CG2-CB 4.28Å; P133-A163 HydrophobicContact CG-CB 4.26Å; V159-A163 PolarHBondContact O-N 2.92Å; G160-A163 PolarHBondContact O-N 2.69Å; A163-A165 VanDerWaalsContact C-N 3.34Å; A163-A165 PolarHBondContact O-N 3.26Å; A163-C166 WeakPolarHBondContact O-CB 3.31Å; A163-C166 PolarHBondContact O-N 3.49Å; A163-C166 VanDerWaalsContact O-N 3.1Å; A163-L167 WeakPolarHBondContact O-CG 3.49Å; A163-L167 PolarHBondContact O-N 3.3Å; A163-W181 HydrophobicContact CB-CB 3.57Å; A163-W181 HydrophobicContact CB-CD2 4.12Å; A163-W181 HydrophobicContact CB-CG 3.7Å
164N98.9Very high98.7Very high95 Ų9541.5 Ų41.551%0.50823%0.234SC..Hα-helixtrans-59.7-41.9176.6-72.9-33.5000112.6G160 E161 C166 L167 Q168G160-N164 PolarHBondContact O-N 2.7Å; G160-N164 PolarHBondContact O-ND2 2.77Å; E161-N164 PolarHBondContact O-N 3.24Å; N164-C166 VanDerWaalsContact C-N 3.34Å; N164-C166 PolarHBondContact O-N 2.83Å; N164-L167 PolarHBondContact O-N 2.82Å; N164-Q168 PolarHBondContact O-N 2.93Å
165A98.9Very high98.7Very high16 Ų1642 Ų4213%0.13224%0.238CC..Hα-helixtrans-63.2-39.217500000112.3L104 Y107 A108 E161 Y162 A163 Q168 V169L104-A165 HydrophobicContact CD1-CB 3.78Å; L104-A165 HydrophobicContact CG-CB 4.32Å; Y107-A165 HydrophobicContact CD1-CB 4.18Å; Y107-A165 HydrophobicContact CE1-CB 4.26Å; A108-A165 HydrophobicContact CB-CB 4.47Å; E161-A165 PolarHBondContact O-N 3.22Å; Y162-A165 PolarHBondContact O-N 3.36Å; A163-A165 VanDerWaalsContact C-N 3.34Å; A163-A165 PolarHBondContact O-N 3.26Å; A165-Q168 PolarHBondContact O-N 3.28Å; A165-V169 VanDerWaalsContact O-CG2 3.3Å; A165-V169 WeakPolarHBondContact O-CG2 3.33Å; A165-V169 PolarHBondContact O-N 3.24Å
166C98.9Very high98.7Very high1 Ų142.3 Ų42.31%0.00724%0.24CC..Hα-helixtrans-62.7-43.1175.1-174.70000111.8Y107 L111 T132 Y162 A163 N164 V169 A170Y107-C166 HydrophobicContact CE1-CB 4.25Å; L111-C166 HydrophobicContact CD1-CB 4.02Å; T132-C166 HydrophobicContact CG2-CB 4.17Å; Y162-C166 WeakPolarHBondContact O-CB 3.35Å; Y162-C166 PolarHBondContact O-N 3.5Å; A163-C166 WeakPolarHBondContact O-CB 3.31Å; A163-C166 PolarHBondContact O-N 3.49Å; A163-C166 VanDerWaalsContact O-N 3.1Å; N164-C166 VanDerWaalsContact C-N 3.34Å; N164-C166 PolarHBondContact O-N 2.83Å; C166-V169 PolarHBondContact O-N 3.12Å; C166-A170 PolarHBondContact O-N 2.63Å
167L98.9Very high98.8Very high43 Ų4343.8 Ų43.823%0.22525%0.249CC..Hα-helixtrans-59.7-46.7174.1-63.8175.4000111.8T132 A163 N164 V169 A170 Q171 V177 D179T132-L167 HydrophobicContact CG2-CD2 3.71Å; T132-L167 HydrophobicContact CG2-CG 3.92Å; A163-L167 WeakPolarHBondContact O-CG 3.49Å; A163-L167 PolarHBondContact O-N 3.3Å; N164-L167 PolarHBondContact O-N 2.82Å; L167-V169 VanDerWaalsContact C-N 3.34Å; L167-V169 PolarHBondContact O-N 2.97Å; L167-A170 WeakPolarHBondContact O-CB 3.35Å; L167-A170 PolarHBondContact O-N 3.45Å; L167-Q171 PolarHBondContact O-N 3.1Å; L167-V177 HydrophobicContact CD2-CG1 4.13Å; L167-V177 HydrophobicContact CD2-CG2 3.71Å; L167-D179 HydrophobicContact CD2-CB 3.75Å
168Q98.9Very high98.8Very high93 Ų9340.5 Ų40.544%0.43523%0.226SC..Hα-helixtrans-62.4-42.1178.6-170.460.660.300111.5N164 A165 A170 Q171 D172N164-Q168 PolarHBondContact O-N 2.93Å; A165-Q168 PolarHBondContact O-N 3.28Å; Q168-A170 VanDerWaalsContact C-N 3.32Å; Q168-A170 PolarHBondContact O-N 2.84Å; Q168-Q171 PolarHBondContact O-N 3.33Å; Q168-D172 PolarHBondContact NE2-OD1 3.1Å; Q168-D172 WeakPolarHBondContact O-CB 3.17Å; Q168-D172 VanDerWaalsContact O-CG 3.24Å; Q168-D172 PolarHBondContact O-N 3.29Å
169V98.9Very high98.8Very high8 Ų841.1 Ų41.15%0.04823%0.228CC..Hα-helixtrans-62.6-40.4176.2172.40000111.4A108 L111 K112 L130 A165 C166 L167 Q171 D172 C173A108-V169 HydrophobicContact CB-CG2 3.87Å; L111-V169 HydrophobicContact CB-CB 4.5Å; L111-V169 HydrophobicContact CB-CG1 3.86Å; L111-V169 HydrophobicContact CB-CG2 4.46Å; K112-V169 HydrophobicContact CB-CG1 4.24Å; L130-V169 HydrophobicContact CD1-CB 4.33Å; L130-V169 HydrophobicContact CD1-CG1 3.91Å; A165-V169 VanDerWaalsContact O-CG2 3.3Å; A165-V169 WeakPolarHBondContact O-CG2 3.33Å; A165-V169 PolarHBondContact O-N 3.24Å; C166-V169 PolarHBondContact O-N 3.12Å; L167-V169 VanDerWaalsContact C-N 3.34Å; L167-V169 PolarHBondContact O-N 2.97Å; V169-Q171 VanDerWaalsContact C-N 3.35Å; V169-D172 PolarHBondContact O-N 3.18Å; V169-C173 WeakPolarHBondContact O-CB 3.37Å; V169-C173 PolarHBondContact O-N 2.88Å; V169-C173 PolarHBondContact O-SG 3.06Å
170A98.8Very high98.8Very high1 Ų141 Ų411%0.00823%0.227CC..Hα-helixtrans-61-45.6176.900000111.7L130 C166 L167 Q168 C173 G174 T175 V177L130-A170 HydrophobicContact CB-CB 4.46Å; L130-A170 HydrophobicContact CD1-CB 3.97Å; L130-A170 HydrophobicContact CG-CB 4.46Å; C166-A170 PolarHBondContact O-N 2.63Å; L167-A170 WeakPolarHBondContact O-CB 3.35Å; L167-A170 PolarHBondContact O-N 3.45Å; Q168-A170 VanDerWaalsContact C-N 3.32Å; Q168-A170 PolarHBondContact O-N 2.84Å; A170-C173 PolarHBondContact O-N 3.14Å; A170-G174 PolarHBondContact O-N 3.13Å; A170-T175 WeakPolarHBondContact CA-OG1 3.47Å; A170-T175 WeakPolarHBondContact CB-OG1 3.42Å; A170-T175 PolarHBondContact O-N 3.1Å; A170-V177 HydrophobicContact CB-CB 3.57Å; A170-V177 HydrophobicContact CB-CG1 4.02Å; A170-V177 HydrophobicContact CB-CG2 3.92Å
171Q98.7Very high98.7Very high143 Ų14343.1 Ų43.167%0.66823%0.234SC*.Hα-helixtrans-59.8-50.1175.5-175.2-176.915.900111.4L167 Q168 V169 C173 G174L167-Q171 PolarHBondContact O-N 3.1Å; Q168-Q171 PolarHBondContact O-N 3.33Å; V169-Q171 VanDerWaalsContact C-N 3.35Å; Q171-C173 VanDerWaalsContact C-N 3.28Å; Q171-C173 PolarHBondContact O-N 3.32Å; Q171-G174 PolarHBondContact O-N 2.89Å
172D98.6Very high98.7Very high99 Ų9940.5 Ų40.553%0.52923%0.225SC..Hα-helixtrans-63.3-33.1-177.7-73.83.4000112.8Q168 V169Q168-D172 PolarHBondContact NE2-OD1 3.1Å; Q168-D172 WeakPolarHBondContact O-CB 3.17Å; Q168-D172 VanDerWaalsContact O-CG 3.24Å; Q168-D172 PolarHBondContact O-N 3.29Å; V169-D172 PolarHBondContact O-N 3.18Å
173C98.4Very high98.6Very high21 Ų2142.7 Ų42.714%0.14224%0.237CC..Hα-helixtrans-92.6-12-179-60.30000113.5V115 E125 V169 A170 Q171 T175V115-C173 HydrophobicContact CB-CB 4.48Å; V115-C173 HydrophobicContact CG1-CB 3.87Å; E125-C173 WeakPolarHBondContact CB-O 3.16Å; E125-C173 WeakPolarHBondContact CG-O 3.3Å; V169-C173 WeakPolarHBondContact O-CB 3.37Å; V169-C173 PolarHBondContact O-N 2.88Å; V169-C173 PolarHBondContact O-SG 3.06Å; A170-C173 PolarHBondContact O-N 3.14Å; Q171-C173 VanDerWaalsContact C-N 3.28Å; Q171-C173 PolarHBondContact O-N 3.32Å; C173-T175 HydrophobicContact CB-CG2 4Å
174G98.2Very high98.6Very high52 Ų5242.7 Ų42.754%0.53624%0.237SC..THydrogen-bonded Turntrans6834-175.100000113.6A170 Q171A170-G174 PolarHBondContact O-N 3.13Å; Q171-G174 PolarHBondContact O-N 2.89Å
175T98.8Very high98.4Very high14 Ų1440.7 Ų40.79%0.08623%0.225CC..  trans-90.2161.9173680000110.7V115 E125 V128 A170 C173V115-T175 HydrophobicContact CG1-CG2 3.72Å; V115-T175 HydrophobicContact CG2-CG2 4.11Å; E125-T175 HydrophobicContact CB-CG2 4.06Å; V128-T175 HydrophobicContact CB-CG2 3.89Å; V128-T175 HydrophobicContact CG1-CG2 4.19Å; A170-T175 WeakPolarHBondContact CA-OG1 3.47Å; A170-T175 WeakPolarHBondContact CB-OG1 3.42Å; A170-T175 PolarHBondContact O-N 3.1Å; C173-T175 HydrophobicContact CB-CG2 4Å
176D98.6Very high97.9Very high61 Ų6146 Ų4633%0.32625%0.251SS..EExtended strand (participates in β ladder)trans-70.4155.9162.3-73.8-30.1000109.6V128 I129 L130 K219V128-D176 PolarHBondContact O-N 3.16Å; I129-D176 WeakPolarHBondContact CA-O 3.47Å; I129-D176 HydrophobicContact CG1-CB 4.13Å; L130-D176 PolarHBondContact N-O 3.06Å; D176-K219 WeakPolarHBondContact OD2-CE 3.29Å; D176-K219 IonicContact OD2-NZ 3.4Å; D176-K219 PolarHBondContact OD2-NZ 2.87Å
177V98.8Very high96.8Very high52 Ų5247.6 Ų47.632%0.31526%0.262SS..EExtended strand (participates in β ladder)trans-141.8142.5176.765.90000111.7L130 L167 A170L130-V177 HydrophobicContact CB-CG2 4.18Å; L130-V177 CarbonylContact O-C 3.38Å; L130-V177 VanDerWaalsContact O-CA 3.25Å; L130-V177 WeakPolarHBondContact O-CA 3.48Å; L130-V177 WeakPolarHBondContact O-CG2 3.31Å; L167-V177 HydrophobicContact CD2-CG1 4.13Å; L167-V177 HydrophobicContact CD2-CG2 3.71Å; A170-V177 HydrophobicContact CB-CB 3.57Å; A170-V177 HydrophobicContact CB-CG1 4.02Å; A170-V177 HydrophobicContact CB-CG2 3.92Å
178L98.9Very high95.5Very high9 Ų955.6 Ų55.65%0.04730%0.298CS..EExtended strand (participates in β ladder)trans-109108.4167.5176.760.6000108.5L130 I131 T132 L180 L183 H211 L212 L215L130-L178 PolarHBondContact O-N 3.1Å; I131-L178 HydrophobicContact CG1-CB 4.36Å; I131-L178 HydrophobicContact CG2-CB 4.4Å; I131-L178 HydrophobicContact CG2-CD2 4.25Å; I131-L178 HydrophobicContact CG2-CG 4.47Å; T132-L178 PolarHBondContact N-O 3.32Å; T132-L178 VanDerWaalsContact N-O 3.1Å; T132-L178 PolarHBondContact OG1-O 2.86Å; L178-L180 HydrophobicContact CG-CB 4.29Å; L178-L180 PolarHBondContact O-N 2.85Å; L178-L183 HydrophobicContact CD1-CD1 3.59Å; L178-H211 HydrophobicContact CD1-CB 3.75Å; L178-H211 HydrophobicContact CD2-CB 4.46Å; L178-L212 HydrophobicContact CD2-CB 4.01Å; L178-L212 HydrophobicContact CD2-CD1 4.33Å; L178-L215 HydrophobicContact CB-CD1 4.08Å
179D98.7Very high95Very high41 Ų4155.4 Ų55.422%0.21930%0.3CS..  trans-77.567.1173.9-169.5-0.4000111.1L167 W181 T182 L183L167-D179 HydrophobicContact CD2-CB 3.75Å; D179-W181 PolarHBondContact O-N 3.32Å; D179-T182 VanDerWaalsContact CG-CB 3.46Å; D179-T182 WeakPolarHBondContact OD1-CB 3.3Å; D179-T182 PolarHBondContact OD1-N 3.34Å; D179-T182 PolarHBondContact OD1-OG1 3.35Å; D179-T182 VanDerWaalsContact OD1-OG1 3.09Å; D179-T182 WeakPolarHBondContact OD2-CB 3.45Å; D179-T182 PolarHBondContact OD2-OG1 3.26Å; D179-L183 WeakPolarHBondContact O-CB 3.32Å; D179-L183 WeakPolarHBondContact O-CD1 3.35Å; D179-L183 WeakPolarHBondContact O-CG 3.47Å; D179-L183 PolarHBondContact O-N 2.96Å
180L98.4Very high94.8Very high0 Ų057.2 Ų57.20%031%0.308CS..Hα-helixtrans-63.7-31.1-178.7-170.763.6000112.1F85 I131 T132 T134 L178 M184 F207 L208F85-L180 HydrophobicContact CE1-CD2 4.48Å; F85-L180 HydrophobicContact CE2-CD2 4.32Å; F85-L180 HydrophobicContact CZ-CD2 3.71Å; I131-L180 HydrophobicContact CG2-CB 4.09Å; I131-L180 HydrophobicContact CG2-CD2 4.06Å; T132-L180 PolarHBondContact OG1-N 2.88Å; T134-L180 HydrophobicContact CG2-CD2 3.7Å; T134-L180 HydrophobicContact CG2-CG 4.44Å; L178-L180 HydrophobicContact CG-CB 4.29Å; L178-L180 PolarHBondContact O-N 2.85Å; L180-M184 HydrophobicContact CD1-CG 3.86Å; L180-M184 HydrophobicContact CD1-SD 3.8Å; L180-M184 HydrophobicContact CD2-SD 4.16Å; L180-M184 HydrophobicContact CG-CG 4.13Å; L180-M184 HydrophobicContact CG-SD 3.62Å; L180-M184 WeakPolarHBondContact O-CB 3.4Å; L180-M184 VanDerWaalsContact O-CG 3.23Å; L180-M184 WeakPolarHBondContact O-CG 3.21Å; L180-M184 PolarHBondContact O-N 3.4Å; L180-M184 VanDerWaalsContact O-N 3.09Å; L180-F207 HydrophobicContact CD1-CD1 4.06Å; L180-F207 HydrophobicContact CD1-CE1 4.16Å; L180-L208 HydrophobicContact CD1-CB 4.36Å; L180-L208 HydrophobicContact CD1-CG 4.47Å; L180-L208 HydrophobicContact CD2-CB 4.48Å; L180-L208 HydrophobicContact CD2-CD1 3.63Å; L180-L208 HydrophobicContact CD2-CG 4.05Å
181W98.4Very high94.6Very high48 Ų4859.3 Ų59.318%0.18232%0.322CS..Hα-helixtrans-62.5-51.4-180-172.682.6000110.7T132 P133 N156 G160 A163 D179 Q185T132-W181 PolarHBondContact OG1-N 2.98Å; P133-W181 VanDerWaalsContact O-CB 3.29Å; P133-W181 WeakPolarHBondContact O-CB 3.42Å; N156-W181 PolarHBondContact OD1-NE1 2.96Å; G160-W181 VanDerWaalsContact CA-CE2 3.49Å; A163-W181 HydrophobicContact CB-CB 3.57Å; A163-W181 HydrophobicContact CB-CD2 4.12Å; A163-W181 HydrophobicContact CB-CG 3.7Å; D179-W181 PolarHBondContact O-N 3.32Å; W181-Q185 VanDerWaalsContact CH2-NE2 3.27Å; W181-Q185 VanDerWaalsContact CZ3-NE2 3.29Å; W181-Q185 WeakPolarHBondContact O-CG 3.45Å; W181-Q185 PolarHBondContact O-NE2 3.33Å
182T97.9Very high94.5Very high47 Ų4754.3 Ų54.329%0.28830%0.303SS..Hα-helixtrans-66.7-50.6177.8-56.60000110.7D179 M184 Q185 D186D179-T182 VanDerWaalsContact CG-CB 3.46Å; D179-T182 WeakPolarHBondContact OD1-CB 3.3Å; D179-T182 PolarHBondContact OD1-N 3.34Å; D179-T182 PolarHBondContact OD1-OG1 3.35Å; D179-T182 VanDerWaalsContact OD1-OG1 3.09Å; D179-T182 WeakPolarHBondContact OD2-CB 3.45Å; D179-T182 PolarHBondContact OD2-OG1 3.26Å; T182-M184 VanDerWaalsContact C-N 3.3Å; T182-M184 PolarHBondContact O-N 3.46Å; T182-Q185 PolarHBondContact O-N 3.46Å; T182-D186 PolarHBondContact O-N 2.92Å; T182-D186 VanDerWaalsContact O-N 3.16Å
183L97.8Very high94.5Very high52 Ų5250.6 Ų50.627%0.27228%0.282SS..Hα-helixtrans-57.3-39.2-174.8-74.5169.8000113.7L178 D179 Q185 F207 H211L178-L183 HydrophobicContact CD1-CD1 3.59Å; D179-L183 WeakPolarHBondContact O-CB 3.32Å; D179-L183 WeakPolarHBondContact O-CD1 3.35Å; D179-L183 WeakPolarHBondContact O-CG 3.47Å; D179-L183 PolarHBondContact O-N 2.96Å; L183-Q185 VanDerWaalsContact C-N 3.29Å; L183-Q185 PolarHBondContact O-N 3.36Å; L183-F207 HydrophobicContact CB-CE1 3.99Å; L183-F207 HydrophobicContact CB-CZ 4.12Å; L183-F207 WeakPolarHBondContact O-CZ 3.44Å; L183-H211 HydrophobicContact CD1-CB 4.45Å
184M97.5Very high94.5Very high0 Ų050.2 Ų50.20%028%0.278CS..Hα-helixtrans-68.9-31.1179.3-71.8178.566.900112.1T134 P135 L180 T182 S187 F190 Y193 L194 L200 F207T134-M184 HydrophobicContact CG2-SD 3.95Å; P135-M184 HydrophobicContact CG-CB 3.84Å; P135-M184 HydrophobicContact CG-CE 4.21Å; P135-M184 HydrophobicContact CG-SD 4.32Å; L180-M184 HydrophobicContact CD1-CG 3.86Å; L180-M184 HydrophobicContact CD1-SD 3.8Å; L180-M184 HydrophobicContact CD2-SD 4.16Å; L180-M184 HydrophobicContact CG-CG 4.13Å; L180-M184 HydrophobicContact CG-SD 3.62Å; L180-M184 WeakPolarHBondContact O-CB 3.4Å; L180-M184 VanDerWaalsContact O-CG 3.23Å; L180-M184 WeakPolarHBondContact O-CG 3.21Å; L180-M184 PolarHBondContact O-N 3.4Å; L180-M184 VanDerWaalsContact O-N 3.09Å; T182-M184 VanDerWaalsContact C-N 3.3Å; T182-M184 PolarHBondContact O-N 3.46Å; M184-S187 PolarHBondContact O-OG 3.47Å; M184-F190 WeakPolarHBondContact O-CB 3.35Å; M184-Y193 HydrophobicContact CB-CD2 4.15Å; M184-Y193 HydrophobicContact CB-CE2 4.49Å; M184-Y193 HydrophobicContact CE-CD2 3.78Å; M184-Y193 HydrophobicContact CE-CG 3.79Å; M184-Y193 HydrophobicContact CG-CD2 4.26Å; M184-L194 HydrophobicContact CE-CD2 4.07Å; M184-L200 HydrophobicContact CE-CD2 4.2Å; M184-F207 HydrophobicContact CG-CD1 3.83Å; M184-F207 HydrophobicContact CG-CE1 3.69Å
185Q94.7Very high94.5Very high53 Ų5351.6 Ų51.625%0.24828%0.279CS..Hα-helixtrans-86.5-12.9-176.9-69.1177.5106.500114.1P135 N156 W181 T182 L183 S187 F190P135-Q185 HydrophobicContact CB-CG 3.83Å; P135-Q185 HydrophobicContact CG-CG 4.03Å; N156-Q185 PolarHBondContact ND2-OE1 2.87Å; W181-Q185 VanDerWaalsContact CH2-NE2 3.27Å; W181-Q185 VanDerWaalsContact CZ3-NE2 3.29Å; W181-Q185 WeakPolarHBondContact O-CG 3.45Å; W181-Q185 PolarHBondContact O-NE2 3.33Å; T182-Q185 PolarHBondContact O-N 3.46Å; L183-Q185 VanDerWaalsContact C-N 3.29Å; L183-Q185 PolarHBondContact O-N 3.36Å; Q185-S187 PolarHBondContact O-N 3.38Å; Q185-F190 HydrophobicContact CG-CB 4.42Å; Q185-F190 HydrophobicContact CG-CD1 4Å; Q185-F190 HydrophobicContact CG-CE1 4.44Å; Q185-F190 HydrophobicContact CG-CG 4.14Å
186D90Very high94.4Very high128 Ų12852.3 Ų52.368%0.68428%0.283SS*.THydrogen-bonded Turntrans-64-15.8169.1-74.9-16.1000112.4T182T182-D186 PolarHBondContact O-N 2.92Å; T182-D186 VanDerWaalsContact O-N 3.16Å
187S74.7Confident94.4Very high35 Ų3549.5 Ų49.525%0.24527%0.268CS..SBendtrans-84.2146.7173.4780000112.5M184 Q185 D189 F190 Y193M184-S187 PolarHBondContact O-OG 3.47Å; Q185-S187 PolarHBondContact O-N 3.38Å; S187-D189 PolarHBondContact O-N 2.94Å; S187-D189 VanDerWaalsContact O-N 3.08Å; S187-F190 PolarHBondContact OG-N 3.46Å; S187-Y193 WeakPolarHBondContact OG-CE2 3.39Å
188Q72Confident94.4Very high211 Ų21147.3 Ų47.399%0.98625%0.254SS*.THydrogen-bonded Turntrans-61.2-19.6179.8-74.6-179.45.400114.1
189D88.8Confident94.4Very high88 Ų8848.4 Ų48.447%0.47126%0.259SS..THydrogen-bonded Turntrans-147.282.6177.3179.820000112S187 S191 S192S187-D189 PolarHBondContact O-N 2.94Å; S187-D189 VanDerWaalsContact O-N 3.08Å; D189-S191 PolarHBondContact O-N 2.94Å; D189-S191 VanDerWaalsContact OD1-CB 3.31Å; D189-S191 WeakPolarHBondContact OD1-CB 3.49Å; D189-S191 PolarHBondContact OD1-N 3.5Å; D189-S191 VanDerWaalsContact OD1-N 3.15Å; D189-S191 PolarHBondContact OD1-OG 2.8Å; D189-S192 PolarHBondContact O-N 2.8Å; D189-S192 PolarHBondContact O-OG 2.8Å
190F94Very high94.4Very high47 Ų4747.3 Ų47.321%0.20625%0.253CS..G310 helixtrans-65.9-19.6176.176.4-96.9000113.1P135 C137 M184 Q185 S187 S192 Y193 L194P135-F190 HydrophobicContact CB-CD2 3.9Å; P135-F190 HydrophobicContact CB-CE2 3.86Å; P135-F190 HydrophobicContact CB-CZ 4.5Å; P135-F190 HydrophobicContact CG-CD2 3.61Å; P135-F190 HydrophobicContact CG-CE2 4.08Å; P135-F190 HydrophobicContact CG-CG 4.23Å; C137-F190 HydrophobicContact CB-CE2 4.27Å; M184-F190 WeakPolarHBondContact O-CB 3.35Å; Q185-F190 HydrophobicContact CG-CB 4.42Å; Q185-F190 HydrophobicContact CG-CD1 4Å; Q185-F190 HydrophobicContact CG-CE1 4.44Å; Q185-F190 HydrophobicContact CG-CG 4.14Å; S187-F190 PolarHBondContact OG-N 3.46Å; F190-S192 PolarHBondContact O-N 3.15Å; F190-Y193 HydrophobicContact CB-CD2 4.28Å; F190-Y193 WeakPolarHBondContact O-CB 3.48Å; F190-Y193 WeakPolarHBondContact O-CD2 3.36Å; F190-Y193 PolarHBondContact O-N 2.86Å; F190-L194 HydrophobicContact CD2-CD1 4.21Å; F190-L194 HydrophobicContact CE2-CD1 4.2Å
191S95.7Very high94.3Very high45 Ų4547.9 Ų47.932%0.31526%0.257SS..G310 helixtrans-63.5-29.1-177.379.30000111.8D189 Y193 L194D189-S191 PolarHBondContact O-N 2.94Å; D189-S191 VanDerWaalsContact OD1-CB 3.31Å; D189-S191 WeakPolarHBondContact OD1-CB 3.49Å; D189-S191 PolarHBondContact OD1-N 3.5Å; D189-S191 VanDerWaalsContact OD1-N 3.15Å; D189-S191 PolarHBondContact OD1-OG 2.8Å; S191-Y193 PolarHBondContact O-N 3.36Å; S191-Y193 VanDerWaalsContact O-N 3.15Å; S191-L194 PolarHBondContact O-N 3.05Å; S191-L194 VanDerWaalsContact O-O 3.1Å
192S96.6Very high94.3Very high37 Ų3750.4 Ų50.426%0.25928%0.28SS..G310 helixtrans-60.8-20.5174.368.30000114.2D189 F190 L194 S201 K203D189-S192 PolarHBondContact O-N 2.8Å; D189-S192 PolarHBondContact O-OG 2.8Å; F190-S192 PolarHBondContact O-N 3.15Å; S192-L194 VanDerWaalsContact C-N 3.29Å; S192-S201 PolarHBondContact O-OG 3.27Å; S192-K203 PolarHBondContact OG-NZ 3.01Å
193Y97.9Very high94.3Very high22 Ų2253 Ų539%0.08629%0.287CS..G310 helixtrans-82.6-5.7174.4-60-54000113.6M184 S187 F190 S191 L200 S201 K203 G204 F207M184-Y193 HydrophobicContact CB-CD2 4.15Å; M184-Y193 HydrophobicContact CB-CE2 4.49Å; M184-Y193 HydrophobicContact CE-CD2 3.78Å; M184-Y193 HydrophobicContact CE-CG 3.79Å; M184-Y193 HydrophobicContact CG-CD2 4.26Å; S187-Y193 WeakPolarHBondContact OG-CE2 3.39Å; F190-Y193 HydrophobicContact CB-CD2 4.28Å; F190-Y193 WeakPolarHBondContact O-CB 3.48Å; F190-Y193 WeakPolarHBondContact O-CD2 3.36Å; F190-Y193 PolarHBondContact O-N 2.86Å; S191-Y193 PolarHBondContact O-N 3.36Å; S191-Y193 VanDerWaalsContact O-N 3.15Å; Y193-L200 WeakPolarHBondContact O-CA 3.27Å; Y193-S201 VanDerWaalsContact C-OG 3.22Å; Y193-S201 WeakPolarHBondContact CA-OG 3.37Å; Y193-S201 PolarHBondContact O-N 3.25Å; Y193-S201 PolarHBondContact O-OG 2.86Å; Y193-K203 HydrophobicContact CD1-CB 4.21Å; Y193-K203 HydrophobicContact CD1-CD 3.88Å; Y193-K203 HydrophobicContact CD1-CG 3.74Å; Y193-K203 HydrophobicContact CE1-CD 3.8Å; Y193-K203 HydrophobicContact CE1-CG 3.75Å; Y193-G204 WeakPolarHBondContact O-CA 3.38Å; Y193-F207 HydrophobicContact CD1-CB 4.06Å; Y193-F207 HydrophobicContact CD1-CG 4.4Å; Y193-F207 HydrophobicContact CE1-CB 3.86Å; Y193-F207 AromaticContact CE1-CD2 3.7Å; Y193-F207 HydrophobicContact CE1-CD2 3.7Å; Y193-F207 AromaticContact CE1-CG 3.95Å; Y193-F207 HydrophobicContact CE1-CG 3.95Å; Y193-F207 HydrophobicContact CE2-CD2 4.24Å; Y193-F207 HydrophobicContact CE2-CE2 4.37Å; Y193-F207 AromaticContact CZ-CD2 3.51Å; Y193-F207 AromaticContact CZ-CE2 3.9Å; Y193-F207 WeakPolarHBondContact OH-CD2 3.45Å; Y193-F207 WeakPolarHBondContact OH-CE2 3.36Å
194L98.1Very high94.3Very high13 Ų1350.5 Ų50.57%0.06827%0.274CS..BIsolated β-bridgetrans-117.1136.4-176.6-52.7173.3000109.7P135 C137 M184 F190 S191 S192 H199 L200P135-L194 VanDerWaalsContact O-CD1 3.24Å; P135-L194 WeakPolarHBondContact O-CD1 3.43Å; C137-L194 HydrophobicContact CB-CD1 4.01Å; M184-L194 HydrophobicContact CE-CD2 4.07Å; F190-L194 HydrophobicContact CD2-CD1 4.21Å; F190-L194 HydrophobicContact CE2-CD1 4.2Å; S191-L194 PolarHBondContact O-N 3.05Å; S191-L194 VanDerWaalsContact O-O 3.1Å; S192-L194 VanDerWaalsContact C-N 3.29Å; L194-H199 CarbonylContact C-O 3.56Å; L194-H199 WeakPolarHBondContact CA-O 3.42Å; L194-L200 HydrophobicContact CD2-CD2 4.46Å
195S97.5Very high94.4Very high80 Ų8051.4 Ų51.456%0.55928%0.279SS*.SBendtrans-81.7-36.8-179.353.20000112.6H199S195-H199 PolarHBondContact N-O 2.91Å; S195-H199 PolarHBondContact OG-O 3.33Å
196D97.8Very high94.5Very high30 Ų3055.3 Ų55.316%0.1630%0.297CS..SBendtrans-13310.9-172.266.8-2.6000112A140 W141 E144 L198 H199A140-D196 CarbonylContact C-O 3.45Å; W141-D196 WeakPolarHBondContact CA-O 3.27Å; W141-D196 PolarHBondContact N-O 3.47Å; E144-D196 HydrophobicContact CG-CB 3.86Å; D196-L198 PolarHBondContact OD1-N 3.38Å; D196-H199 IonicContact OD1-CG 3.66Å; D196-H199 PolarHBondContact OD1-N 3.35Å; D196-H199 IonicContact OD1-ND1 3.3Å; D196-H199 IonicContact OD2-CE1 3.73Å; D196-H199 IonicContact OD2-CG 2.71Å; D196-H199 IonicContact OD2-ND1 3.14Å; D196-H199 PolarHBondContact OD2-ND1 3.49Å
197G98.1Very high94.9Very high1 Ų150.7 Ų50.71%0.0127%0.271CS..SBendtrans87.8-2.6-174.900000115.6L136 C137L136-G197 WeakPolarHBondContact CD1-O 3.3Å; C137-G197 PolarHBondContact N-O 3.14Å
198L98.4Very high96.1Very high7 Ų749 Ų494%0.03726%0.259CS..SBendtrans-131.2-53.4175.6-176.4104.8000112.2A88 T134 L136 W141 D196A88-L198 HydrophobicContact CB-CD1 4.47Å; T134-L198 PolarHBondContact OG1-O 2.87Å; L136-L198 HydrophobicContact CD1-CB 4.34Å; L136-L198 HydrophobicContact CD1-CD1 3.71Å; W141-L198 HydrophobicContact CD2-CB 4Å; W141-L198 HydrophobicContact CE3-CB 3.49Å; W141-L198 VanDerWaalsContact CE3-CB 3.49Å; W141-L198 HydrophobicContact CE3-CG 4.48Å; W141-L198 HydrophobicContact CH2-CB 4.25Å; W141-L198 HydrophobicContact CH2-CD2 3.86Å; W141-L198 HydrophobicContact CH2-CG 4.48Å; W141-L198 HydrophobicContact CZ2-CD1 4.48Å; W141-L198 HydrophobicContact CZ2-CD2 4.37Å; W141-L198 HydrophobicContact CZ3-CB 3.63Å; W141-L198 HydrophobicContact CZ3-CD2 3.99Å; W141-L198 HydrophobicContact CZ3-CG 4.33Å; D196-L198 PolarHBondContact OD1-N 3.38Å
199H98.6Very high97.3Very high32 Ų3240.5 Ų40.515%0.14822%0.219CC..SBendtrans-80.2151.9-179-61.5102.8000111.6S24 F28 L194 S195 D196 S201S24-H199 VanDerWaalsContact CB-NE2 3.3Å; S24-H199 WeakPolarHBondContact CB-NE2 3.32Å; S24-H199 PolarHBondContact OG-CD2 2.69Å; S24-H199 PolarHBondContact OG-NE2 3.44Å; F28-H199 AromaticContact CD2-CD2 3.97Å; F28-H199 AromaticContact CE2-CD2 3.92Å; F28-H199 AromaticContact CE2-NE2 3.85Å; L194-H199 CarbonylContact C-O 3.56Å; L194-H199 WeakPolarHBondContact CA-O 3.42Å; S195-H199 PolarHBondContact N-O 2.91Å; S195-H199 PolarHBondContact OG-O 3.33Å; D196-H199 IonicContact OD1-CG 3.66Å; D196-H199 PolarHBondContact OD1-N 3.35Å; D196-H199 IonicContact OD1-ND1 3.3Å; D196-H199 IonicContact OD2-CE1 3.73Å; D196-H199 IonicContact OD2-CG 2.71Å; D196-H199 IonicContact OD2-ND1 3.14Å; D196-H199 PolarHBondContact OD2-ND1 3.49Å; H199-S201 PolarHBondContact O-N 3.05Å
200L98.6Very high97.8Very high17 Ų1739.2 Ų39.29%0.08922%0.217CC..BIsolated β-bridgetrans-68131.6-179.8-65.7174000111.8I25 T134 M184 Y193 L194 N205 L208I25-L200 HydrophobicContact CG2-CD1 3.57Å; I25-L200 HydrophobicContact CG2-CG 3.84Å; T134-L200 HydrophobicContact CG2-CD2 3.77Å; T134-L200 HydrophobicContact CG2-CG 4.44Å; M184-L200 HydrophobicContact CE-CD2 4.2Å; Y193-L200 WeakPolarHBondContact O-CA 3.27Å; L194-L200 HydrophobicContact CD2-CD2 4.46Å; L200-N205 VanDerWaalsContact CB-ND2 3.35Å; L200-N205 WeakPolarHBondContact CB-ND2 3.45Å; L200-N205 PolarHBondContact O-ND2 3.17Å; L200-L208 HydrophobicContact CD1-CB 4.31Å; L200-L208 HydrophobicContact CD1-CD1 3.72Å
201S98.1Very high98Very high12 Ų1240.1 Ų40.18%0.08422%0.222CC..PPolyproline II helixtrans-70.7172.2163.279.20000110.6S192 Y193 H199 K203 G204 N205S192-S201 PolarHBondContact O-OG 3.27Å; Y193-S201 VanDerWaalsContact C-OG 3.22Å; Y193-S201 WeakPolarHBondContact CA-OG 3.37Å; Y193-S201 PolarHBondContact O-N 3.25Å; Y193-S201 PolarHBondContact O-OG 2.86Å; H199-S201 PolarHBondContact O-N 3.05Å; S201-K203 PolarHBondContact O-N 3.18Å; S201-K203 PolarHBondContact OG-N 2.73Å; S201-G204 PolarHBondContact O-N 2.98Å; S201-G204 PolarHBondContact OG-N 2.97Å; S201-N205 PolarHBondContact O-N 3.43Å; S201-N205 PolarHBondContact O-ND2 2.81Å
202P97.9Very high98.2Very high102 Ų10238 Ų3866%0.66221%0.207SC*.Hα-helixtrans-53-41170.8-28.536.6000112.9G204 N205 E206P202-G204 PolarHBondContact O-N 2.99Å; P202-N205 PolarHBondContact O-N 2.95Å; P202-E206 PolarHBondContact O-N 3.36Å
203K97.3Very high98.3Very high101 Ų10138.5 Ų38.544%0.43920%0.203SC..Hα-helixtrans-65.3-39.1176.3-167.1-170.8175.3-170.80111.7S192 Y193 S201 E206 F207S192-K203 PolarHBondContact OG-NZ 3.01Å; Y193-K203 HydrophobicContact CD1-CB 4.21Å; Y193-K203 HydrophobicContact CD1-CD 3.88Å; Y193-K203 HydrophobicContact CD1-CG 3.74Å; Y193-K203 HydrophobicContact CE1-CD 3.8Å; Y193-K203 HydrophobicContact CE1-CG 3.75Å; S201-K203 PolarHBondContact O-N 3.18Å; S201-K203 PolarHBondContact OG-N 2.73Å; K203-E206 PolarHBondContact O-N 3.29Å; K203-F207 WeakPolarHBondContact O-CB 3.2Å; K203-F207 PolarHBondContact O-N 2.87Å
204G98.2Very high98.3Very high0 Ų040.2 Ų40.20%022%0.217CC..Hα-helixtrans-66.6-37.8175.900000113.1Y193 S201 P202 F207 L208Y193-G204 WeakPolarHBondContact O-CA 3.38Å; S201-G204 PolarHBondContact O-N 2.98Å; S201-G204 PolarHBondContact OG-N 2.97Å; P202-G204 PolarHBondContact O-N 2.99Å; G204-F207 PolarHBondContact O-N 2.94Å; G204-L208 WeakPolarHBondContact O-CB 3.32Å; G204-L208 PolarHBondContact O-N 3.07Å
205N98.7Very high98.3Very high18 Ų1841 Ų4110%0.09622%0.221CC..Hα-helixtrans-63.4-45.4174.1-80.6-86.8000111.5G33 G34 W35 L200 S201 P202 F207 L208 F209G33-N205 VanDerWaalsContact O-CB 3.26Å; G33-N205 WeakPolarHBondContact O-CB 3.29Å; G34-N205 WeakPolarHBondContact CA-OD1 3.41Å; W35-N205 WeakPolarHBondContact CB-O 3.35Å; W35-N205 VanDerWaalsContact CD1-OD1 3.27Å; W35-N205 PolarHBondContact N-OD1 2.76Å; W35-N205 VanDerWaalsContact N-OD1 3.14Å; L200-N205 VanDerWaalsContact CB-ND2 3.35Å; L200-N205 WeakPolarHBondContact CB-ND2 3.45Å; L200-N205 PolarHBondContact O-ND2 3.17Å; S201-N205 PolarHBondContact O-N 3.43Å; S201-N205 PolarHBondContact O-ND2 2.81Å; P202-N205 PolarHBondContact O-N 2.95Å; N205-F207 VanDerWaalsContact C-N 3.35Å; N205-L208 PolarHBondContact O-N 3.31Å; N205-F209 WeakPolarHBondContact O-CB 3.26Å; N205-F209 PolarHBondContact O-N 3.27Å
206E98.3Very high98.4Very high136 Ų13637.1 Ų37.164%0.63619%0.194SC*.Hα-helixtrans-61.4-43.4175-176.2178-166.300111.7P202 K203 F209 S210P202-E206 PolarHBondContact O-N 3.36Å; K203-E206 PolarHBondContact O-N 3.29Å; E206-F209 PolarHBondContact O-N 2.86Å; E206-S210 PolarHBondContact O-N 3.23Å; E206-S210 PolarHBondContact O-OG 3.06Å
207F98.3Very high98.4Very high31 Ų3140.1 Ų40.114%0.13621%0.207CC..Hα-helixtrans-62-46.9178-172.1-85000112.3L180 L183 M184 Y193 K203 G204 N205 S210 H211L180-F207 HydrophobicContact CD1-CD1 4.06Å; L180-F207 HydrophobicContact CD1-CE1 4.16Å; L183-F207 HydrophobicContact CB-CE1 3.99Å; L183-F207 HydrophobicContact CB-CZ 4.12Å; L183-F207 WeakPolarHBondContact O-CZ 3.44Å; M184-F207 HydrophobicContact CG-CD1 3.83Å; M184-F207 HydrophobicContact CG-CE1 3.69Å; Y193-F207 HydrophobicContact CD1-CB 4.06Å; Y193-F207 HydrophobicContact CD1-CG 4.4Å; Y193-F207 HydrophobicContact CE1-CB 3.86Å; Y193-F207 AromaticContact CE1-CD2 3.7Å; Y193-F207 HydrophobicContact CE1-CD2 3.7Å; Y193-F207 AromaticContact CE1-CG 3.95Å; Y193-F207 HydrophobicContact CE1-CG 3.95Å; Y193-F207 HydrophobicContact CE2-CD2 4.24Å; Y193-F207 HydrophobicContact CE2-CE2 4.37Å; Y193-F207 AromaticContact CZ-CD2 3.51Å; Y193-F207 AromaticContact CZ-CE2 3.9Å; Y193-F207 WeakPolarHBondContact OH-CD2 3.45Å; Y193-F207 WeakPolarHBondContact OH-CE2 3.36Å; K203-F207 WeakPolarHBondContact O-CB 3.2Å; K203-F207 PolarHBondContact O-N 2.87Å; G204-F207 PolarHBondContact O-N 2.94Å; N205-F207 VanDerWaalsContact C-N 3.35Å; F207-S210 PolarHBondContact O-N 3.32Å; F207-S210 PolarHBondContact O-OG 3.28Å; F207-H211 AromaticContact CD1-ND1 3.84Å; F207-H211 AromaticContact CD2-CE1 3.88Å; F207-H211 AromaticContact CE1-CE1 3.67Å; F207-H211 AromaticContact CE1-ND1 3.69Å; F207-H211 AromaticContact CE2-CE1 3.44Å; F207-H211 VanDerWaalsContact CE2-CE1 3.44Å; F207-H211 WeakPolarHBondContact CE2-CE1 3.25Å; F207-H211 AromaticContact CZ-CE1 3.32Å; F207-H211 WeakPolarHBondContact CZ-CE1 3.41Å; F207-H211 AromaticContact CZ-ND1 3.85Å; F207-H211 AromaticContact CZ-NE2 3.89Å; F207-H211 PolarHBondContact O-N 3.31Å; F207-H211 PolarHBondContact O-ND1 3.17Å
208L98.7Very high98.3Very high0 Ų047.5 Ų47.50%024%0.239CC..Hα-helixtrans-61-48176-175.4162.5000110.4W35 F85 L180 L200 G204 N205 S210 H211 L212W35-L208 HydrophobicContact CB-CD2 3.83Å; W35-L208 HydrophobicContact CD2-CD1 4.39Å; W35-L208 HydrophobicContact CD2-CD2 3.52Å; W35-L208 HydrophobicContact CE3-CD2 3.64Å; W35-L208 HydrophobicContact CG-CD1 4.32Å; W35-L208 HydrophobicContact CG-CD2 3.62Å; W35-L208 HydrophobicContact CG-CG 4.45Å; W35-L208 HydrophobicContact CZ3-CD2 4.33Å; F85-L208 HydrophobicContact CD1-CD1 4.42Å; F85-L208 HydrophobicContact CE1-CD1 3.51Å; F85-L208 HydrophobicContact CZ-CD1 4.01Å; L180-L208 HydrophobicContact CD1-CB 4.36Å; L180-L208 HydrophobicContact CD1-CG 4.47Å; L180-L208 HydrophobicContact CD2-CB 4.48Å; L180-L208 HydrophobicContact CD2-CD1 3.63Å; L180-L208 HydrophobicContact CD2-CG 4.05Å; L200-L208 HydrophobicContact CD1-CB 4.31Å; L200-L208 HydrophobicContact CD1-CD1 3.72Å; G204-L208 WeakPolarHBondContact O-CB 3.32Å; G204-L208 PolarHBondContact O-N 3.07Å; N205-L208 PolarHBondContact O-N 3.31Å; L208-S210 PolarHBondContact O-N 3.08Å; L208-H211 PolarHBondContact O-N 3.47Å; L208-L212 HydrophobicContact CD2-CB 4.06Å; L208-L212 HydrophobicContact CD2-CD2 3.74Å; L208-L212 WeakPolarHBondContact O-CB 3.48Å; L208-L212 PolarHBondContact O-N 3.2Å
209F98.8Very high98.2Very high32 Ų3248.7 Ų48.714%0.1424%0.244CC..Hα-helixtrans-57-46.8179.6167.9-100.3000112.3W35 L39 K42 N205 E206 H211 L212 W213W35-F209 HydrophobicContact CB-CB 4.07Å; L39-F209 HydrophobicContact CD2-CD2 4.12Å; L39-F209 HydrophobicContact CD2-CE2 4.05Å; L39-F209 HydrophobicContact CG-CD2 4.15Å; L39-F209 HydrophobicContact CG-CE2 4.34Å; K42-F209 HydrophobicContact CD-CZ 4.45Å; K42-F209 HydrophobicContact CG-CE2 4.06Å; K42-F209 HydrophobicContact CG-CZ 3.7Å; N205-F209 WeakPolarHBondContact O-CB 3.26Å; N205-F209 PolarHBondContact O-N 3.27Å; E206-F209 PolarHBondContact O-N 2.86Å; F209-H211 VanDerWaalsContact C-N 3.28Å; F209-H211 PolarHBondContact O-N 2.93Å; F209-L212 PolarHBondContact O-N 3.3Å; F209-W213 HydrophobicContact CE2-CB 4.39Å; F209-W213 HydrophobicContact CE2-CE3 4.48Å; F209-W213 HydrophobicContact CZ-CB 4.42Å; F209-W213 WeakPolarHBondContact O-CB 3.3Å; F209-W213 PolarHBondContact O-N 3.46Å
210S98.4Very high98Very high61 Ų6147.4 Ų47.443%0.42724%0.238SC..Hα-helixtrans-64.6-31.4-176.566.10000113.3E206 F207 L208 P214E206-S210 PolarHBondContact O-N 3.23Å; E206-S210 PolarHBondContact O-OG 3.06Å; F207-S210 PolarHBondContact O-N 3.32Å; F207-S210 PolarHBondContact O-OG 3.28Å; L208-S210 PolarHBondContact O-N 3.08Å; S210-P214 WeakPolarHBondContact O-CD 3.33Å
211H98.6Very high97.8Very high66 Ų6650.8 Ų50.831%0.30626%0.263SS..Hα-helixtrans-88.5-28.3177.1-66.281.4000113.3L178 L183 F207 L208 F209L178-H211 HydrophobicContact CD1-CB 3.75Å; L178-H211 HydrophobicContact CD2-CB 4.46Å; L183-H211 HydrophobicContact CD1-CB 4.45Å; F207-H211 AromaticContact CD1-ND1 3.84Å; F207-H211 AromaticContact CD2-CE1 3.88Å; F207-H211 AromaticContact CE1-CE1 3.67Å; F207-H211 AromaticContact CE1-ND1 3.69Å; F207-H211 AromaticContact CE2-CE1 3.44Å; F207-H211 VanDerWaalsContact CE2-CE1 3.44Å; F207-H211 WeakPolarHBondContact CE2-CE1 3.25Å; F207-H211 AromaticContact CZ-CE1 3.32Å; F207-H211 WeakPolarHBondContact CZ-CE1 3.41Å; F207-H211 AromaticContact CZ-ND1 3.85Å; F207-H211 AromaticContact CZ-NE2 3.89Å; F207-H211 PolarHBondContact O-N 3.31Å; F207-H211 PolarHBondContact O-ND1 3.17Å; L208-H211 PolarHBondContact O-N 3.47Å; F209-H211 VanDerWaalsContact C-N 3.28Å; F209-H211 PolarHBondContact O-N 2.93Å
212L98.8Very high97.6Very high0 Ų055 Ų550%029%0.292CS..Hα-helixtrans-77.6-34.8176.4-177.259.6000112W35 L39 T83 I129 I131 L178 L208 F209 L215 I216W35-L212 HydrophobicContact CE3-CD2 3.77Å; W35-L212 HydrophobicContact CH2-CD2 4.49Å; W35-L212 HydrophobicContact CZ3-CD2 3.54Å; L39-L212 HydrophobicContact CD1-CD2 4.06Å; T83-L212 HydrophobicContact CG2-CD1 4.43Å; T83-L212 HydrophobicContact CG2-CD2 4.39Å; I129-L212 HydrophobicContact CD1-CD1 4.03Å; I129-L212 HydrophobicContact CG2-CD1 4.16Å; I131-L212 HydrophobicContact CD1-CD1 4.15Å; I131-L212 HydrophobicContact CD1-CD2 4.11Å; L178-L212 HydrophobicContact CD2-CB 4.01Å; L178-L212 HydrophobicContact CD2-CD1 4.33Å; L208-L212 HydrophobicContact CD2-CB 4.06Å; L208-L212 HydrophobicContact CD2-CD2 3.74Å; L208-L212 WeakPolarHBondContact O-CB 3.48Å; L208-L212 PolarHBondContact O-N 3.2Å; F209-L212 PolarHBondContact O-N 3.3Å; L212-L215 WeakPolarHBondContact O-CB 3.21Å; L212-L215 PolarHBondContact O-N 3.3Å; L212-I216 HydrophobicContact CD1-CG1 4.17Å; L212-I216 HydrophobicContact CG-CG1 3.96Å; L212-I216 PolarHBondContact O-N 3.02Å; L212-I216 VanDerWaalsContact O-N 3.13Å
213W98.7Very high97.3Very high47 Ų4751.4 Ų51.418%0.17827%0.268CS..Hα-helixtrans-54.4-47.6-176174.7-105.1000113.5L39 K42 L43 F209 L215 I216 E217L39-W213 HydrophobicContact CD2-CE3 3.86Å; L39-W213 HydrophobicContact CD2-CZ3 4.36Å; K42-W213 HydrophobicContact CB-CE3 4.25Å; K42-W213 HydrophobicContact CB-CH2 3.76Å; K42-W213 HydrophobicContact CB-CZ2 4.43Å; K42-W213 HydrophobicContact CB-CZ3 3.66Å; K42-W213 HydrophobicContact CG-CE3 4.39Å; K42-W213 HydrophobicContact CG-CH2 4.41Å; K42-W213 HydrophobicContact CG-CZ3 4.26Å; L43-W213 HydrophobicContact CD2-CH2 4.21Å; L43-W213 HydrophobicContact CD2-CZ3 4.29Å; L43-W213 HydrophobicContact CG-CZ3 4.24Å; F209-W213 HydrophobicContact CE2-CB 4.39Å; F209-W213 HydrophobicContact CE2-CE3 4.48Å; F209-W213 HydrophobicContact CZ-CB 4.42Å; F209-W213 WeakPolarHBondContact O-CB 3.3Å; F209-W213 PolarHBondContact O-N 3.46Å; W213-L215 PolarHBondContact O-N 3.12Å; W213-L215 VanDerWaalsContact O-N 3.16Å; W213-I216 HydrophobicContact CE3-CB 4.5Å; W213-I216 HydrophobicContact CE3-CG2 4.39Å; W213-I216 HydrophobicContact CZ3-CG2 4.23Å; W213-I216 PolarHBondContact O-N 3.13Å; W213-E217 HydrophobicContact CD2-CB 4.36Å; W213-E217 HydrophobicContact CZ2-CB 3.99Å; W213-E217 HydrophobicContact CZ2-CG 4.04Å; W213-E217 PolarHBondContact NE1-OE2 3.48Å; W213-E217 WeakPolarHBondContact O-CB 3.42Å; W213-E217 PolarHBondContact O-N 3.06Å
214P98.6Very high97Very high59 Ų5948.9 Ų48.938%0.38326%0.262SS..Hα-helixtrans-59.1-29.3178.6-2635.2000114.4S210 K218S210-P214 WeakPolarHBondContact O-CD 3.33Å; P214-K218 WeakPolarHBondContact O-CD 3.47Å; P214-K218 VanDerWaalsContact O-CG 3.31Å; P214-K218 WeakPolarHBondContact O-CG 3.38Å
215L98.6Very high96.7Very high28 Ų2853.7 Ų53.715%0.14729%0.287CS..Hα-helixtrans-75.3-40.3175.6-60.8177.2000111.4I129 L178 L212 W213I129-L215 HydrophobicContact CD1-CB 3.79Å; I129-L215 HydrophobicContact CG2-CD1 3.95Å; L178-L215 HydrophobicContact CB-CD1 4.08Å; L212-L215 WeakPolarHBondContact O-CB 3.21Å; L212-L215 PolarHBondContact O-N 3.3Å; W213-L215 PolarHBondContact O-N 3.12Å; W213-L215 VanDerWaalsContact O-N 3.16Å
216I98.4Very high96.4Very high0 Ų053.2 Ų53.20%028%0.284CS..Hα-helixtrans-70.5-44.3177.7-64.7-67.4000111L18 L39 L43 A81 T83 I129 L212 W213 K218 K219 V220L18-I216 HydrophobicContact CD1-CD1 3.64Å; L18-I216 HydrophobicContact CD2-CD1 4Å; L18-I216 HydrophobicContact CD2-CG1 4.49Å; L18-I216 HydrophobicContact CD2-CG2 3.94Å; L39-I216 HydrophobicContact CD2-CB 4.49Å; L39-I216 HydrophobicContact CD2-CG1 4.29Å; L39-I216 HydrophobicContact CD2-CG2 4.37Å; L43-I216 HydrophobicContact CD1-CG2 4.47Å; A81-I216 HydrophobicContact CB-CD1 4.33Å; T83-I216 HydrophobicContact CG2-CD1 4.36Å; I129-I216 HydrophobicContact CD1-CD1 3.48Å; I129-I216 VanDerWaalsContact CD1-CD1 3.48Å; I129-I216 HydrophobicContact CD1-CG1 4.11Å; L212-I216 HydrophobicContact CD1-CG1 4.17Å; L212-I216 HydrophobicContact CG-CG1 3.96Å; L212-I216 PolarHBondContact O-N 3.02Å; L212-I216 VanDerWaalsContact O-N 3.13Å; W213-I216 HydrophobicContact CE3-CB 4.5Å; W213-I216 HydrophobicContact CE3-CG2 4.39Å; W213-I216 HydrophobicContact CZ3-CG2 4.23Å; W213-I216 PolarHBondContact O-N 3.13Å; I216-K218 VanDerWaalsContact C-N 3.28Å; I216-K218 PolarHBondContact O-N 2.82Å; I216-K219 WeakPolarHBondContact O-CA 3.34Å; I216-K219 WeakPolarHBondContact O-CB 3.46Å; I216-K219 PolarHBondContact O-N 3.15Å; I216-V220 HydrophobicContact CG2-CG1 4.27Å; I216-V220 HydrophobicContact CG2-CG2 4.28Å; I216-V220 VanDerWaalsContact O-CG2 3.3Å; I216-V220 WeakPolarHBondContact O-CG2 3.33Å; I216-V220 PolarHBondContact O-N 3.31Å
217E97.8Very high96Very high92 Ų9251 Ų5143%0.4328%0.277SS..Hα-helixtrans-54.7-44.6-179.1-175.2168.9-133.500111.3W213 K219 V220 S221W213-E217 HydrophobicContact CD2-CB 4.36Å; W213-E217 HydrophobicContact CZ2-CB 3.99Å; W213-E217 HydrophobicContact CZ2-CG 4.04Å; W213-E217 PolarHBondContact NE1-OE2 3.48Å; W213-E217 WeakPolarHBondContact O-CB 3.42Å; W213-E217 PolarHBondContact O-N 3.06Å; E217-K219 PolarHBondContact O-N 3.39Å; E217-K219 VanDerWaalsContact O-N 3.14Å; E217-V220 PolarHBondContact O-N 3.17Å; E217-V220 VanDerWaalsContact O-N 3.1Å; E217-S221 WeakPolarHBondContact O-CA 3.45Å; E217-S221 VanDerWaalsContact O-CB 3.25Å; E217-S221 WeakPolarHBondContact O-CB 3.4Å; E217-S221 PolarHBondContact O-N 3.46Å
218K97.1Very high95.6Very high157 Ų15751.6 Ų51.668%0.68328%0.283SS*.Hα-helixtrans-57.1-28.3175.3-71.8171.6-174.6178.10113.8P214 I216P214-K218 WeakPolarHBondContact O-CD 3.47Å; P214-K218 VanDerWaalsContact O-CG 3.31Å; P214-K218 WeakPolarHBondContact O-CG 3.38Å; I216-K218 VanDerWaalsContact C-N 3.28Å; I216-K218 PolarHBondContact O-N 2.82Å
219K96.1Very high95.3Very high32 Ų3256.8 Ų56.814%0.13930%0.304CS..Hα-helixtrans-89.9-18.2-178.6-58176.8-163.1-67.60112.9A81 N126 I129 D176 I216 E217A81-K219 HydrophobicContact CB-CB 4.3Å; A81-K219 HydrophobicContact CB-CD 3.57Å; N126-K219 PolarHBondContact O-NZ 2.91Å; I129-K219 HydrophobicContact CD1-CD 4.29Å; I129-K219 VanDerWaalsContact CD1-CE 3.45Å; I129-K219 HydrophobicContact CG1-CD 4.49Å; D176-K219 WeakPolarHBondContact OD2-CE 3.29Å; D176-K219 IonicContact OD2-NZ 3.4Å; D176-K219 PolarHBondContact OD2-NZ 2.87Å; I216-K219 WeakPolarHBondContact O-CA 3.34Å; I216-K219 WeakPolarHBondContact O-CB 3.46Å; I216-K219 PolarHBondContact O-N 3.15Å; E217-K219 PolarHBondContact O-N 3.39Å; E217-K219 VanDerWaalsContact O-N 3.14Å
220V95.3Very high95.1Very high5 Ų562.9 Ų62.93%0.0333%0.326CS..Hα-helixtrans-122.1-4.1-172.2-55.80000113.7L43 V80 I216 E217 S222 L223L43-V220 HydrophobicContact CD2-CB 4.26Å; L43-V220 HydrophobicContact CD2-CG2 3.82Å; V80-V220 HydrophobicContact CG2-CG1 3.99Å; I216-V220 HydrophobicContact CG2-CG1 4.27Å; I216-V220 HydrophobicContact CG2-CG2 4.28Å; I216-V220 VanDerWaalsContact O-CG2 3.3Å; I216-V220 WeakPolarHBondContact O-CG2 3.33Å; I216-V220 PolarHBondContact O-N 3.31Å; E217-V220 PolarHBondContact O-N 3.17Å; E217-V220 VanDerWaalsContact O-N 3.1Å; V220-S222 PolarHBondContact O-N 3.47Å; V220-S222 VanDerWaalsContact O-N 3.17Å; V220-L223 HydrophobicContact CB-CD1 3.83Å; V220-L223 HydrophobicContact CB-CG 4.28Å; V220-L223 HydrophobicContact CG1-CD1 4.08Å; V220-L223 VanDerWaalsContact O-CB 3.3Å; V220-L223 WeakPolarHBondContact O-CB 3.36Å; V220-L223 WeakPolarHBondContact O-CG 3.42Å; V220-L223 PolarHBondContact O-N 2.75Å
221S93.9Very high94.8Very high87 Ų8768.1 Ų68.161%0.60834%0.336SS*.THydrogen-bonded Turntrans-61.5-27.3-174.860.70000113.5E217 L223E217-S221 WeakPolarHBondContact O-CA 3.45Å; E217-S221 VanDerWaalsContact O-CB 3.25Å; E217-S221 WeakPolarHBondContact O-CB 3.4Å; E217-S221 PolarHBondContact O-N 3.46Å; S221-L223 VanDerWaalsContact C-N 3.34Å
222S93.1Very high94.5Very high100 Ų10070.3 Ų70.370%0.69935%0.35SS*.THydrogen-bonded Turntrans-83-7.4176.661.70000113.8V220V220-S222 PolarHBondContact O-N 3.47Å; V220-S222 VanDerWaalsContact O-N 3.17Å
223L92.6Very high94.2Very high27 Ų2772 Ų7214%0.14136%0.36CS..PPolyproline II helixtrans-72.2130.6-178.9-61.5-177.8000110.7P16 C47 V80 V220 S221P16-L223 HydrophobicContact CB-CD1 3.74Å; P16-L223 HydrophobicContact CB-CD2 4.17Å; P16-L223 HydrophobicContact CG-CD1 4.09Å; P16-L223 HydrophobicContact CG-CD2 3.94Å; C47-L223 HydrophobicContact CB-CD1 3.96Å; V80-L223 HydrophobicContact CG1-CD2 4.41Å; V80-L223 HydrophobicContact CG2-CD1 4.37Å; V220-L223 HydrophobicContact CB-CD1 3.83Å; V220-L223 HydrophobicContact CB-CG 4.28Å; V220-L223 HydrophobicContact CG1-CD1 4.08Å; V220-L223 VanDerWaalsContact O-CB 3.3Å; V220-L223 WeakPolarHBondContact O-CB 3.36Å; V220-L223 WeakPolarHBondContact O-CG 3.42Å; V220-L223 PolarHBondContact O-N 2.75Å; S221-L223 VanDerWaalsContact C-N 3.34Å
224P91.1Very high93.8Very high49 Ų4971.8 Ų71.832%0.31837%0.368SS..PPolyproline II helixtrans-71.3162.8176.332.2-35.2000110.8L226P224-L226 PolarHBondContact O-N 3.12Å
225L92Very high93.5Very high100 Ų10078.3 Ų78.352%0.52439%0.394SS..PPolyproline II helixtrans-70.1126.6157.6-72.4168.4000107.9R45 K46R45-L225 HydrophobicContact CB-CD2 4.04Å; R45-L225 CarbonylContact O-C 3.54Å; R45-L225 WeakPolarHBondContact O-CA 3.24Å; K46-L225 HydrophobicContact CD-CD2 4.36Å; K46-L225 HydrophobicContact CG-CD2 3.77Å
226L90.8Very high93.2Very high8 Ų881.6 Ų81.64%0.04243%0.425CS..SBendtrans-73132.4174.5-64178.8000109.6L13 W15 R45 P224L13-L226 HydrophobicContact CD2-CB 4.27Å; L13-L226 HydrophobicContact CD2-CD1 4.46Å; W15-L226 HydrophobicContact CB-CD1 4.48Å; W15-L226 HydrophobicContact CD2-CD1 3.45Å; W15-L226 VanDerWaalsContact CD2-CD1 3.45Å; W15-L226 HydrophobicContact CE3-CD1 3.65Å; W15-L226 HydrophobicContact CG-CD1 3.87Å; W15-L226 HydrophobicContact CH2-CD1 4.29Å; W15-L226 HydrophobicContact CZ2-CD1 4.1Å; W15-L226 HydrophobicContact CZ3-CD1 4.07Å; R45-L226 PolarHBondContact NE-O 3.26Å; R45-L226 PolarHBondContact NH2-O 3.25Å; R45-L226 VanDerWaalsContact NH2-O 3.12Å; R45-L226 PolarHBondContact O-N 3.21Å; P224-L226 PolarHBondContact O-N 3.12Å
227L90.3Very high92.7Very high91 Ų9187.9 Ų87.948%0.47645%0.453SS..SBendtrans62.8156.3-174-56.7173.7000113.3L13 R45L13-L227 HydrophobicContact CD2-CD1 4.22Å; L13-L227 HydrophobicContact CD2-CD2 4.24Å; L13-L227 HydrophobicContact CD2-CG 3.99Å; R45-L227 PolarHBondContact NH2-O 3.45Å
228P90.9Very high92.3Very high43 Ų4385.4 Ų85.428%0.27944%0.444SS..  trans-64.7163.6177.625.8-35.7000112.8R45 D232 V233 L242R45-P228 PolarHBondContact NH2-O 2.89Å; P228-D232 HydrophobicContact CB-CB 4.16Å; P228-V233 HydrophobicContact CB-CG2 4.49Å; P228-V233 HydrophobicContact CG-CG2 3.84Å; P228-L242 HydrophobicContact CG-CD2 4.13Å
229Y92.2Very high91.9Very high109 Ų10983.3 Ų83.343%0.42744%0.437SS..  trans-69.5148.3162.9179.7-119.7000109R231 D232Y229-R231 HydrophobicContact CD1-CB 3.82Å; Y229-R231 HydrophobicContact CD1-CG 4.01Å; Y229-R231 HydrophobicContact CE1-CB 3.87Å; Y229-R231 HydrophobicContact CE1-CG 3.52Å; Y229-R231 PolarHBondContact O-N 2.9Å; Y229-D232 WeakPolarHBondContact O-CA 3.37Å; Y229-D232 WeakPolarHBondContact O-CB 3.25Å; Y229-D232 PolarHBondContact O-N 3.32Å
230W93.6Very high91.3Very high160 Ų16085.1 Ų85.161%0.60645%0.448SS*.G310 helixtrans-59.2-27.4-17073.4-91.8000113.9D232 V233W230-D232 VanDerWaalsContact C-N 3.27Å; W230-D232 PolarHBondContact O-N 2.97Å; W230-V233 PolarHBondContact O-N 3.32Å
231R93Very high90.8Very high171 Ų17186.6 Ų86.665%0.64546%0.458SS*.G310 helixtrans-74.4-16.7176-63.6-172.3-171.9-97.21.8113.9Y229Y229-R231 HydrophobicContact CD1-CB 3.82Å; Y229-R231 HydrophobicContact CD1-CG 4.01Å; Y229-R231 HydrophobicContact CE1-CB 3.87Å; Y229-R231 HydrophobicContact CE1-CG 3.52Å; Y229-R231 PolarHBondContact O-N 2.9Å
232D91.1Very high90.4Very high111 Ų11186.3 Ų86.359%0.59445%0.45SS*.G310 helixtrans-94.50.9178.8-52.5-35.8000111.5P228 Y229 W230P228-D232 HydrophobicContact CB-CB 4.16Å; Y229-D232 WeakPolarHBondContact O-CA 3.37Å; Y229-D232 WeakPolarHBondContact O-CB 3.25Å; Y229-D232 PolarHBondContact O-N 3.32Å; W230-D232 VanDerWaalsContact C-N 3.27Å; W230-D232 PolarHBondContact O-N 2.97Å
233V93.1Very high89.9Confident36 Ų3687 Ų8722%0.21845%0.445CS..SBendtrans-79.6125.1174179.30000109.2P228 W230 E235 P238 L242P228-V233 HydrophobicContact CB-CG2 4.49Å; P228-V233 HydrophobicContact CG-CG2 3.84Å; W230-V233 PolarHBondContact O-N 3.32Å; V233-E235 PolarHBondContact O-N 2.89Å; V233-P238 HydrophobicContact CG1-CB 3.69Å; V233-L242 HydrophobicContact CG1-CD1 4.41Å; V233-L242 HydrophobicContact CG1-CG 4.32Å; V233-L242 HydrophobicContact CG2-CD2 4.04Å
234A90.8Very high88.7Confident42 Ų4287.6 Ų87.635%0.34746%0.457SS..  trans-65120.2-18000000111.4A236 K237 P238 S241A234-A236 PolarHBondContact O-N 2.69Å; A234-K237 CarbonylContact O-C 3.39Å; A234-K237 PolarHBondContact O-N 2.82Å; A234-P238 WeakPolarHBondContact O-CA 3.24Å; A234-P238 WeakPolarHBondContact O-CD 3.36Å; A234-S241 WeakPolarHBondContact CB-OG 3.45Å; A234-S241 PolarHBondContact N-OG 3.04Å
235E92.6Very high86.8Confident196 Ų19691 Ų9192%0.91647%0.473SS*.SBendtrans-62.1-41.8-177.2-66.2-176.7178.700113.1V233V233-E235 PolarHBondContact O-N 2.89Å
236A92.6Very high84.7Confident98 Ų9889 Ų8981%0.8148%0.476SS*.SBendtrans-78.4-22.4-174.900000113.6A234A234-A236 PolarHBondContact O-N 2.69Å
237K87.6Confident82.2Confident131 Ų13195.1 Ų95.157%0.5751%0.509SS*.  trans-151.966.1-175.4-65.2-172.3-179.3-1780110.6A234 E239 L240A234-K237 CarbonylContact O-C 3.39Å; A234-K237 PolarHBondContact O-N 2.82Å; K237-E239 PolarHBondContact O-N 3.45Å; K237-E239 VanDerWaalsContact O-N 3.13Å; K237-L240 HydrophobicContact CB-CD1 3.84Å; K237-L240 HydrophobicContact CB-CG 4.13Å; K237-L240 HydrophobicContact CD-CD1 3.63Å; K237-L240 HydrophobicContact CD-CG 4.46Å; K237-L240 HydrophobicContact CG-CD1 4.4Å; K237-L240 PolarHBondContact O-N 3.15Å; K237-L240 VanDerWaalsContact O-N 3.13Å
238P89.5Confident79.8Confident40 Ų40102.8 Ų102.826%0.2654%0.542SS..Hα-helixtrans-60-25.2-175.624.5-34.8000112.9V233 A234 L240 S241 L242V233-P238 HydrophobicContact CG1-CB 3.69Å; A234-P238 WeakPolarHBondContact O-CA 3.24Å; A234-P238 WeakPolarHBondContact O-CD 3.36Å; P238-L240 VanDerWaalsContact C-N 3.29Å; P238-L240 PolarHBondContact O-N 2.91Å; P238-S241 PolarHBondContact O-N 3.44Å; P238-S241 VanDerWaalsContact O-N 3.15Å; P238-L242 HydrophobicContact CB-CD1 4.29Å; P238-L242 WeakPolarHBondContact O-CB 3.35Å; P238-L242 VanDerWaalsContact O-CG 3.24Å; P238-L242 WeakPolarHBondContact O-CG 3.5Å; P238-L242 PolarHBondContact O-N 3.13Å
239E88.6Confident79.3Confident113 Ų113105.8 Ų105.853%0.52856%0.555SS.*Hα-helixtrans-59-38.4176.9-60.474.2-16400111.8K237 S241 L242 L243K237-E239 PolarHBondContact O-N 3.45Å; K237-E239 VanDerWaalsContact O-N 3.13Å; E239-S241 VanDerWaalsContact C-N 3.33Å; E239-S241 PolarHBondContact O-N 2.85Å; E239-L242 PolarHBondContact O-N 3.37Å; E239-L243 HydrophobicContact CB-CD1 4.18Å; E239-L243 VanDerWaalsContact O-CB 3.25Å; E239-L243 WeakPolarHBondContact O-CB 3.21Å; E239-L243 PolarHBondContact O-N 3.13Å
240L83.4Confident78.6Confident70 Ų70105.6 Ų105.637%0.36656%0.562SS.*Hα-helixtrans-63.7-40.3176.9-67.3176000111.3K237 P238 G244K237-L240 HydrophobicContact CB-CD1 3.84Å; K237-L240 HydrophobicContact CB-CG 4.13Å; K237-L240 HydrophobicContact CD-CD1 3.63Å; K237-L240 HydrophobicContact CD-CG 4.46Å; K237-L240 HydrophobicContact CG-CD1 4.4Å; K237-L240 PolarHBondContact O-N 3.15Å; K237-L240 VanDerWaalsContact O-N 3.13Å; P238-L240 VanDerWaalsContact C-N 3.29Å; P238-L240 PolarHBondContact O-N 2.91Å; L240-G244 CarbonylContact O-C 3.33Å; L240-G244 WeakPolarHBondContact O-CA 3.42Å; L240-G244 PolarHBondContact O-N 3.28Å
241S83.2Confident77.8Confident36 Ų36102.6 Ų102.625%0.25256%0.559SS.*Hα-helixtrans-74.8-27.7178.5-56.10000113.7A234 P238 E239A234-S241 WeakPolarHBondContact CB-OG 3.45Å; A234-S241 PolarHBondContact N-OG 3.04Å; P238-S241 PolarHBondContact O-N 3.44Å; P238-S241 VanDerWaalsContact O-N 3.15Å; E239-S241 VanDerWaalsContact C-N 3.33Å; E239-S241 PolarHBondContact O-N 2.85Å
242L86.6Confident76.9Confident81 Ų8198.6 Ų98.642%0.42455%0.554SS.*Hα-helixtrans-102.1-29.1-170.7-66.2175.3000113.8P228 V233 P238 E239P228-L242 HydrophobicContact CG-CD2 4.13Å; V233-L242 HydrophobicContact CG1-CD1 4.41Å; V233-L242 HydrophobicContact CG1-CG 4.32Å; V233-L242 HydrophobicContact CG2-CD2 4.04Å; P238-L242 HydrophobicContact CB-CD1 4.29Å; P238-L242 WeakPolarHBondContact O-CB 3.35Å; P238-L242 VanDerWaalsContact O-CG 3.24Å; P238-L242 WeakPolarHBondContact O-CG 3.5Å; P238-L242 PolarHBondContact O-N 3.13Å; E239-L242 PolarHBondContact O-N 3.37Å
243L81.8Confident76Confident115 Ų11597.8 Ų97.860%0.60255%0.552SS**Hα-helixtrans-102-8.2178.2-55.4178.3000112.3E239E239-L243 HydrophobicContact CB-CD1 4.18Å; E239-L243 VanDerWaalsContact O-CB 3.25Å; E239-L243 WeakPolarHBondContact O-CB 3.21Å; E239-L243 PolarHBondContact O-N 3.13Å
244G67.1Low74.9Confident39 Ų39101.9 Ų101.940%0.40257%0.574SS.*  trans80.5165.6-167.700000111.6L240 G246L240-G244 CarbonylContact O-C 3.33Å; L240-G244 WeakPolarHBondContact O-CA 3.42Å; L240-G244 PolarHBondContact O-N 3.28Å; G244-G246 PolarHBondContact O-N 3.48Å
245D51.2Low73.7Confident122 Ų122106.2 Ų106.265%0.65259%0.59SS**  trans-6599.7174.5-61.4-26.6000108D247D245-D247 PolarHBondContact O-N 3.43Å
246G49.6Very low72.3Confident56 Ų5699.3 Ų99.358%0.57757%0.565SS**  trans-68.224.4171.800000113.7G244 H248G244-G246 PolarHBondContact O-N 3.48Å; G246-H248 PolarHBondContact O-N 3.41Å
247D37.5Very low70.6Confident137 Ų13799.4 Ų99.473%0.73355%0.545SS*.  trans-81.296.6180-79.2-14.5000109.7D245D245-D247 PolarHBondContact O-N 3.43Å
248H40.9Very low69Low253 Ų25396.5 Ų96.5100%1.17154%0.543SS*.  trans-1220155.8-69.1-20.1000109.1G246G246-H248 PolarHBondContact O-N 3.41Å

Retrieved 248 of 248 residues in 192 ms (Link to these results)

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