A0A5K4FD64_SCHMA Loading...

MYND-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FD64, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 265 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
1M48.8Very low80.1Confident224 Ų224100.3 Ų100.3100%1.10350%0.498SS*.  0133.60-70.4173.1-177.200107.9H3M1-H3 PolarHBondContact O-N 3.28Å
2R62.9Low80.3Confident168 Ų16896.5 Ų96.563%0.63449%0.487SS*.  trans-78.6111.3172.4-65.1-173.8-171.1171.80.7108.4W52 K57R2-W52 HydrophobicContact CB-CZ2 3.84Å; R2-W52 PolarHBondContact O-NE1 2.81Å; R2-K57 PolarHBondContact NH1-O 3Å
3H83.7Confident80.5Confident162 Ų162102.8 Ų102.875%0.7552%0.521SS*.PPolyproline II helixtrans-61.8160.1172.9-61.8-73.7000110.8M1 W52M1-H3 PolarHBondContact O-N 3.28Å; H3-W52 WeakPolarHBondContact O-CZ2 3.48Å; H3-W52 PolarHBondContact O-NE1 3.29Å
4L87.5Confident80.9Confident62 Ų62101.4 Ų101.433%0.32553%0.533SS..PPolyproline II helixtrans-53.8123.1171.5-175.674.5000108.6I45 Q48 K49 W52L4-I45 HydrophobicContact CD2-CG2 4.36Å; L4-Q48 HydrophobicContact CD1-CG 4.02Å; L4-K49 HydrophobicContact CD1-CG 4.22Å; L4-K49 HydrophobicContact CD2-CG 3.59Å; L4-W52 HydrophobicContact CD1-CB 3.53Å; L4-W52 HydrophobicContact CD1-CD2 4.43Å; L4-W52 HydrophobicContact CD1-CG 3.71Å
5P83.8Confident81.2Confident16 Ų1696.7 Ų96.710%0.10451%0.509CS..PPolyproline II helixtrans-67.7147.8-18027.8-34.4000110.2A7 V36 Q48 W52P5-A7 PolarHBondContact O-N 3.23Å; P5-V36 HydrophobicContact CB-CG2 3.58Å; P5-V36 HydrophobicContact CG-CG2 4.23Å; P5-Q48 PolarHBondContact O-NE2 3.37Å; P5-W52 HydrophobicContact CG-CD2 4.4Å; P5-W52 HydrophobicContact CG-CE3 3.9Å; P5-W52 HydrophobicContact CG-CH2 3.96Å; P5-W52 HydrophobicContact CG-CZ2 4.44Å; P5-W52 HydrophobicContact CG-CZ3 3.66Å
6A86.2Confident81.6Confident77 Ų7796.3 Ų96.364%0.63651%0.513SS*.PPolyproline II helixtrans-52.6130.4168.900000109.4G35A6-G35 WeakPolarHBondContact O-CA 2.97Å; A6-G35 PolarHBondContact O-N 3.04Å
7A85.6Confident82Confident27 Ų27103.4 Ų103.422%0.22354%0.539CS..EExtended strand (participates in β ladder)trans-90.5141.816900000109.5P5 L32 Q33P5-A7 PolarHBondContact O-N 3.23Å; A7-L32 HydrophobicContact CB-CB 4.11Å; A7-L32 HydrophobicContact CB-CD1 4.35Å; A7-L32 HydrophobicContact CB-CD2 4.07Å; A7-L32 HydrophobicContact CB-CG 4.42Å; A7-Q33 WeakPolarHBondContact CA-O 3.47Å
8F88.4Confident82.3Confident91 Ų91102.4 Ų102.440%0.39956%0.557SS.*EExtended strand (participates in β ladder)trans-88.1133.1168.4-63.4-62.3000109.1F10 L32 Q33 G35F8-F10 PolarHBondContact O-N 3.45Å; F8-L32 WeakPolarHBondContact O-CA 3.42Å; F8-Q33 PolarHBondContact N-O 3.24Å; F8-Q33 PolarHBondContact O-N 3.1Å; F8-G35 VanDerWaalsContact CE2-CA 3.42Å
9P88.1Confident82.7Confident83 Ų83100.2 Ų100.254%0.53955%0.548SS..EExtended strand (participates in β ladder)trans-53.1132165.4-24.434.3000109.8Y11P9-Y11 HydrophobicContact CB-CE2 4.19Å
10F81Confident83Confident28 Ų28104.4 Ų104.412%0.12356%0.563CS.*  trans-115.9130.3179.8-177.2-104.7000109.4F8 P12 N15 H21 Y31 Q33 Y41F8-F10 PolarHBondContact O-N 3.45Å; F10-P12 HydrophobicContact CD1-CG 4.46Å; F10-P12 WeakPolarHBondContact O-CD 3.49Å; F10-N15 WeakPolarHBondContact CZ-OD1 3.24Å; F10-H21 HydrophobicContact CE1-CB 3.84Å; F10-H21 AromaticContact CE1-CD2 3.74Å; F10-H21 HydrophobicContact CZ-CB 4.18Å; F10-H21 AromaticContact CZ-CD2 3.25Å; F10-H21 WeakPolarHBondContact CZ-CD2 3.3Å; F10-H21 AromaticContact CZ-CG 3.87Å; F10-H21 AromaticContact CZ-NE2 3.96Å; F10-Y31 PolarHBondContact N-O 3.35Å; F10-Q33 HydrophobicContact CB-CB 4.46Å; F10-Y41 HydrophobicContact CD1-CD1 4.2Å; F10-Y41 HydrophobicContact CD1-CE1 4.39Å; F10-Y41 HydrophobicContact CD2-CD1 4.22Å; F10-Y41 AromaticContact CD2-CE1 3.74Å; F10-Y41 HydrophobicContact CD2-CE1 3.74Å; F10-Y41 HydrophobicContact CE1-CD1 4.35Å; F10-Y41 HydrophobicContact CE1-CE1 4.29Å; F10-Y41 HydrophobicContact CE2-CD1 4.38Å; F10-Y41 AromaticContact CE2-CE1 3.64Å; F10-Y41 HydrophobicContact CE2-CE1 3.64Å; F10-Y41 HydrophobicContact CG-CD1 4.11Å; F10-Y41 HydrophobicContact CG-CE1 4.11Å; F10-Y41 HydrophobicContact CZ-CD1 4.41Å; F10-Y41 AromaticContact CZ-CE1 3.9Å; F10-Y41 HydrophobicContact CZ-CE1 3.9Å
11Y84.9Confident83.5Confident165 Ų165101.9 Ų101.965%0.64755%0.548SS*.  trans-110.8102.6-175.8-60.2-79.7000109.4P9 L13 A14P9-Y11 HydrophobicContact CB-CE2 4.19Å; Y11-L13 PolarHBondContact O-N 3.14Å; Y11-A14 WeakPolarHBondContact O-CB 3.38Å; Y11-A14 PolarHBondContact O-N 2.87Å
12P82.7Confident85.7Confident55 Ų5594.1 Ų94.136%0.35752%0.516SS..G310 helixtrans-56.3-28.1-176-28.435.9000114.7F10 A14 N15 Y31F10-P12 HydrophobicContact CD1-CG 4.46Å; F10-P12 WeakPolarHBondContact O-CD 3.49Å; P12-A14 PolarHBondContact O-N 3.43Å; P12-N15 VanDerWaalsContact O-CB 3.32Å; P12-N15 WeakPolarHBondContact O-CB 3.24Å; P12-N15 PolarHBondContact O-N 2.98Å; P12-N15 PolarHBondContact O-ND2 3.45Å; P12-Y31 HydrophobicContact CG-CD1 4.19Å; P12-Y31 HydrophobicContact CG-CE1 4.14Å
13L83.4Confident87.3Confident179 Ų17986.2 Ų86.294%0.93749%0.486SS*.G310 helixtrans-69.4-17176.9-62177.4000113.6Y11 N15Y11-L13 PolarHBondContact O-N 3.14Å; L13-N15 VanDerWaalsContact C-N 3.27Å
14A85.5Confident87.8Confident83 Ų8380.3 Ų80.369%0.68646%0.459SS*.G310 helixtrans-85.80.6176.200000112.7Y11 P12Y11-A14 WeakPolarHBondContact O-CB 3.38Å; Y11-A14 PolarHBondContact O-N 2.87Å; P12-A14 PolarHBondContact O-N 3.43Å
15N85Confident88.3Confident31 Ų3178.1 Ų78.117%0.16645%0.448CS..SBendtrans-72.5149.2-178.1-64.6-5.1000111.6F10 P12 L13 V19F10-N15 WeakPolarHBondContact CZ-OD1 3.24Å; P12-N15 VanDerWaalsContact O-CB 3.32Å; P12-N15 WeakPolarHBondContact O-CB 3.24Å; P12-N15 PolarHBondContact O-N 2.98Å; P12-N15 PolarHBondContact O-ND2 3.45Å; L13-N15 VanDerWaalsContact C-N 3.27Å; N15-V19 HydrophobicContact CB-CB 4.38Å; N15-V19 VanDerWaalsContact CB-O 3.22Å; N15-V19 WeakPolarHBondContact CB-O 3.07Å; N15-V19 PolarHBondContact ND2-O 3.36Å
16P88.8Confident88.8Confident90 Ų9079.3 Ų79.358%0.58446%0.456SS*.PPolyproline II helixtrans-52.1144.3162.8-21.832.4000110.5G18 V19P16-G18 PolarHBondContact O-N 3.44Å; P16-V19 HydrophobicContact CB-CB 4.47Å; P16-V19 HydrophobicContact CB-CG2 3.96Å; P16-V19 HydrophobicContact CG-CG2 4.38Å; P16-V19 WeakPolarHBondContact O-CB 2.91Å; P16-V19 PolarHBondContact O-N 3.47Å
17K88.2Confident89.2Confident217 Ų21780.2 Ų80.294%0.94346%0.458SS*.THydrogen-bonded Turntrans-53126-178.7-172.6178.3-178.9-1800110.7
18G87.6Confident89.6Confident85 Ų8585.6 Ų85.688%0.87648%0.476SS*.THydrogen-bonded Turntrans84.62.7179.400000115.2P16P16-G18 PolarHBondContact O-N 3.44Å
19V89.2Confident89.9Confident61 Ų6185.1 Ų85.137%0.3748%0.482SS..  trans-99.4120.1174.9-178.50000109.7N15 P16 H21N15-V19 HydrophobicContact CB-CB 4.38Å; N15-V19 VanDerWaalsContact CB-O 3.22Å; N15-V19 WeakPolarHBondContact CB-O 3.07Å; N15-V19 PolarHBondContact ND2-O 3.36Å; P16-V19 HydrophobicContact CB-CB 4.47Å; P16-V19 HydrophobicContact CB-CG2 3.96Å; P16-V19 HydrophobicContact CG-CG2 4.38Å; P16-V19 WeakPolarHBondContact O-CB 2.91Å; P16-V19 PolarHBondContact O-N 3.47Å; V19-H21 WeakPolarHBondContact CG1-NE2 3.02Å
20E89.9Confident90.2Very high184 Ų18481.1 Ų81.186%0.8646%0.456SS*.  trans-118.9142.7172.6-66.4-173.8175.400110.2
21H92.6Very high90.8Very high51 Ų5185.7 Ų85.724%0.23647%0.473CS..  trans-115.5125.9175.4-64.2-85.5000109.2F10 V19 A30 Y41F10-H21 HydrophobicContact CE1-CB 3.84Å; F10-H21 AromaticContact CE1-CD2 3.74Å; F10-H21 HydrophobicContact CZ-CB 4.18Å; F10-H21 AromaticContact CZ-CD2 3.25Å; F10-H21 WeakPolarHBondContact CZ-CD2 3.3Å; F10-H21 AromaticContact CZ-CG 3.87Å; F10-H21 AromaticContact CZ-NE2 3.96Å; V19-H21 WeakPolarHBondContact CG1-NE2 3.02Å; H21-A30 WeakPolarHBondContact O-CB 3.5Å; H21-A30 PolarHBondContact O-N 3.15Å; H21-Y41 HydrophobicContact CB-CD1 3.92Å; H21-Y41 HydrophobicContact CB-CD2 4.2Å; H21-Y41 HydrophobicContact CB-CE1 4.22Å; H21-Y41 HydrophobicContact CB-CG 3.91Å; H21-Y41 AromaticContact CE1-CE2 3.74Å; H21-Y41 AromaticContact CE1-CZ 3.56Å; H21-Y41 PolarHBondContact CE1-OH 3Å; H21-Y41 AromaticContact CG-CE1 3.91Å; H21-Y41 AromaticContact CG-CZ 3.84Å; H21-Y41 AromaticContact ND1-CD2 3.66Å; H21-Y41 AromaticContact ND1-CE1 3.89Å; H21-Y41 AromaticContact ND1-CE2 3.22Å; H21-Y41 WeakPolarHBondContact ND1-CE2 3.07Å; H21-Y41 AromaticContact ND1-CZ 3.33Å; H21-Y41 VanDerWaalsContact ND1-CZ 3.33Å
22S94.5Very high91.3Very high62 Ų6279.1 Ų79.143%0.43445%0.449SS..BIsolated β-bridgetrans-109.2157.9179.457.80000111.1E24 S27 K28S22-E24 PolarHBondContact O-N 2.82Å; S22-S27 WeakPolarHBondContact CB-O 3.26Å; S22-K28 CarbonylContact C-O 3.53Å; S22-K28 WeakPolarHBondContact CA-O 3.32Å
23C96.2Very high91.9Very high1 Ų178.1 Ų78.11%0.00744%0.44CS..  trans-64.6131.8177.1178.90000110.4V25 S27 K28 Y41 C43 H47C23-V25 PolarHBondContact O-N 3.27Å; C23-V25 VanDerWaalsContact O-N 3.11Å; C23-S27 WeakPolarHBondContact O-CA 3.25Å; C23-S27 PolarHBondContact O-N 2.98Å; C23-K28 WeakPolarHBondContact CB-O 3.44Å; C23-K28 PolarHBondContact N-O 3.29Å; C23-Y41 CarbonylContact C-O 3.58Å; C23-Y41 WeakPolarHBondContact CA-O 3.38Å; C23-C43 HydrophobicContact CB-CB 3.9Å; C23-C43 PolarHBondContact SG-N 3.4Å; C23-H47 PolarHBondContact SG-ND1 3.29Å; C23-H47 VanDerWaalsContact SG-ND1 3.38Å
24E95.6Very high92.4Very high38 Ų3869.6 Ų69.618%0.17840%0.395CS..THydrogen-bonded Turntrans-59.6-26.5-178.8-162.366.1-168.800113.6S22 T40 Y41 Y42 Q118 K121S22-E24 PolarHBondContact O-N 2.82Å; E24-T40 HydrophobicContact CB-CG2 3.62Å; E24-T40 HydrophobicContact CG-CG2 3.61Å; E24-Y41 PolarHBondContact N-O 3.47Å; E24-Y42 HydrophobicContact CB-CD1 4.43Å; E24-Y42 HydrophobicContact CB-CE1 4.17Å; E24-Q118 PolarHBondContact OE1-NE2 3.41Å; E24-K121 IonicContact OE1-NZ 3.4Å; E24-K121 PolarHBondContact OE1-NZ 3.13Å; E24-K121 IonicContact OE2-NZ 2.74Å; E24-K121 PolarHBondContact OE2-NZ 3.23Å
25V96.6Very high92.8Very high16 Ų1666.6 Ų66.610%0.09737%0.372CS..THydrogen-bonded Turntrans-96.6-40.8-174.1-177.90000112.9C23 H47 D51 P114 L117C23-V25 PolarHBondContact O-N 3.27Å; C23-V25 VanDerWaalsContact O-N 3.11Å; V25-H47 HydrophobicContact CB-CB 4.15Å; V25-H47 HydrophobicContact CG2-CB 4.03Å; V25-D51 HydrophobicContact CG2-CB 4.02Å; V25-P114 HydrophobicContact CG2-CG 4.25Å; V25-L117 WeakPolarHBondContact O-CD1 3.29Å
26C95.1Very high93.2Very high42 Ų4268.4 Ų68.428%0.28438%0.384SS..THydrogen-bonded Turntrans-124.90.2-171.372.80000115.3K28 H47C26-K28 PolarHBondContact O-N 3.44Å; C26-H47 VanDerWaalsContact CB-CE1 3.46Å; C26-H47 WeakPolarHBondContact CB-CE1 3.16Å; C26-H47 PolarHBondContact SG-CE1 3.37Å
27S94.7Very high93.3Very high95 Ų9564.5 Ų64.566%0.66436%0.359SS*.  trans61.33-180-51.50000116.6S22 C23S22-S27 WeakPolarHBondContact CB-O 3.26Å; C23-S27 WeakPolarHBondContact O-CA 3.25Å; C23-S27 PolarHBondContact O-N 2.98Å
28K94.6Very high93.5Very high140 Ų14061.4 Ų61.461%0.60934%0.342SS*.SBendtrans-66.5161.2169.1-64.3-177.6-179.4-178.10111.1S22 C23 C26 A30S22-K28 CarbonylContact C-O 3.53Å; S22-K28 WeakPolarHBondContact CA-O 3.32Å; C23-K28 WeakPolarHBondContact CB-O 3.44Å; C23-K28 PolarHBondContact N-O 3.29Å; C26-K28 PolarHBondContact O-N 3.44Å; K28-A30 PolarHBondContact O-N 2.92Å
29P93.4Very high93.7Very high81 Ų8159.1 Ų59.153%0.52631%0.309SS..BIsolated β-bridgetrans-50.7137.6175.9-28.235.9000112.7Y31 C43P29-Y31 HydrophobicContact CB-CE2 4.4Å; P29-Y31 WeakPolarHBondContact O-CE2 3.46Å; P29-C43 VanDerWaalsContact O-CB 3.31Å; P29-C43 WeakPolarHBondContact O-CB 3.28Å
30A94.8Very high94Very high0 Ų056.3 Ų56.30%029%0.292CS..PPolyproline II helixtrans-94148.6-179.800000112.7H21 K28 Y42H21-A30 WeakPolarHBondContact O-CB 3.5Å; H21-A30 PolarHBondContact O-N 3.15Å; K28-A30 PolarHBondContact O-N 2.92Å; A30-Y42 CarbonylContact C-O 3.59Å; A30-Y42 WeakPolarHBondContact CA-O 3.3Å; A30-Y42 WeakPolarHBondContact CB-O 3.49Å
31Y93.9Very high94.2Very high123 Ų12349.1 Ų49.148%0.48226%0.257SS..  trans-133.2-0.1178.6-53.7-75.3000112.7F10 P12 P29 Y42F10-Y31 PolarHBondContact N-O 3.35Å; P12-Y31 HydrophobicContact CG-CD1 4.19Å; P12-Y31 HydrophobicContact CG-CE1 4.14Å; P29-Y31 HydrophobicContact CB-CE2 4.4Å; P29-Y31 WeakPolarHBondContact O-CE2 3.46Å; Y31-Y42 PolarHBondContact N-O 3.37Å
32L95.2Very high94.4Very high27 Ų2746.7 Ų46.714%0.14125%0.246CC..EExtended strand (participates in β ladder)trans-134.1141.1178.2-66178.3000110.1A7 F8 Y41 Y42 I45A7-L32 HydrophobicContact CB-CB 4.11Å; A7-L32 HydrophobicContact CB-CD1 4.35Å; A7-L32 HydrophobicContact CB-CD2 4.07Å; A7-L32 HydrophobicContact CB-CG 4.42Å; F8-L32 WeakPolarHBondContact O-CA 3.42Å; L32-Y41 CarbonylContact O-C 3.48Å; L32-Y41 VanDerWaalsContact O-CA 3.24Å; L32-Y41 WeakPolarHBondContact O-CA 3.34Å; L32-Y42 PolarHBondContact N-O 2.88Å; L32-Y42 PolarHBondContact O-N 3.42Å; L32-I45 HydrophobicContact CD1-CB 4.38Å; L32-I45 HydrophobicContact CD1-CG1 3.6Å; L32-I45 VanDerWaalsContact CD1-N 3.33Å
33Q94.8Very high94.5Very high34 Ų3445.7 Ų45.716%0.15924%0.238CC..EExtended strand (participates in β ladder)trans-119.4136.9175.3-173.7-175.831.600109.5A7 F8 F10 G35 R38 Y41A7-Q33 WeakPolarHBondContact CA-O 3.47Å; F8-Q33 PolarHBondContact N-O 3.24Å; F8-Q33 PolarHBondContact O-N 3.1Å; F10-Q33 HydrophobicContact CB-CB 4.46Å; Q33-G35 PolarHBondContact O-N 3.5Å; Q33-R38 HydrophobicContact CG-CB 4.5Å; Q33-R38 PolarHBondContact NE2-O 3.34Å; Q33-Y41 HydrophobicContact CB-CD1 3.95Å; Q33-Y41 HydrophobicContact CB-CE1 3.98Å; Q33-Y41 HydrophobicContact CG-CD1 3.98Å; Q33-Y41 HydrophobicContact CG-CE1 3.67Å; Q33-Y41 PolarHBondContact NE2-OH 3.48Å; Q33-Y41 VanDerWaalsContact NE2-OH 3.11Å
34C94.7Very high94.4Very high0 Ų046.7 Ų46.70%025%0.249CC..EExtended strand (participates in β ladder)trans-58.3123.8175.9-1800000110.7V36 R38 T40 Y42 H56C34-V36 PolarHBondContact O-N 3.41Å; C34-R38 WeakPolarHBondContact O-CA 3.43Å; C34-R38 PolarHBondContact O-N 2.92Å; C34-T40 PolarHBondContact N-O 3.11Å; C34-Y42 HydrophobicContact CB-CE2 4.21Å; C34-H56 PolarHBondContact SG-NE2 3.5Å; C34-H56 VanDerWaalsContact SG-NE2 3.45Å
35G92.9Very high94.4Very high20 Ų2049.1 Ų49.121%0.20626%0.262CS..THydrogen-bonded Turntrans-70.4-13.5-177.500000115.4A6 F8 Q33A6-G35 WeakPolarHBondContact O-CA 2.97Å; A6-G35 PolarHBondContact O-N 3.04Å; F8-G35 VanDerWaalsContact CE2-CA 3.42Å; Q33-G35 PolarHBondContact O-N 3.5Å
36V93Very high94.4Very high69 Ų6954 Ų5442%0.41828%0.284SS..THydrogen-bonded Turntrans-90.7-68.3179.5178.50000110.8P5 C34 L61P5-V36 HydrophobicContact CB-CG2 3.58Å; P5-V36 HydrophobicContact CG-CG2 4.23Å; C34-V36 PolarHBondContact O-N 3.41Å; V36-L61 HydrophobicContact CG1-CD2 3.81Å
37C92.8Very high94.5Very high8 Ų854 Ų545%0.05428%0.28CS..THydrogen-bonded Turntrans-79-24.6-176.666.60000113.5I39 C60 I64C37-I39 WeakPolarHBondContact O-CG1 3.2Å; C37-I39 PolarHBondContact O-N 3.37Å; C37-I39 PolarHBondContact SG-N 2.94Å; C37-C60 VanDerWaalsContact CB-O 3.26Å; C37-C60 WeakPolarHBondContact CB-O 3.47Å; C37-C60 VanDerWaalsContact CB-SG 3.57Å; C37-I64 HydrophobicContact CB-CD1 4.4Å; C37-I64 HydrophobicContact CB-CG1 4.02Å
38R91.9Very high94.6Very high153 Ų15349.7 Ų49.758%0.57725%0.249SC*.SBendtrans53.216.8-172.6-55.1-174.8-175.2-173.4-0114.8Q33 C34Q33-R38 HydrophobicContact CG-CB 4.5Å; Q33-R38 PolarHBondContact NE2-O 3.34Å; C34-R38 WeakPolarHBondContact O-CA 3.43Å; C34-R38 PolarHBondContact O-N 2.92Å
39I91.6Very high94.7Very high36 Ų3647.3 Ų47.319%0.18524%0.239CC..  trans-110.3-23.5-178-68158.4000111.7C37 Y41 I64 R67C37-I39 WeakPolarHBondContact O-CG1 3.2Å; C37-I39 PolarHBondContact O-N 3.37Å; C37-I39 PolarHBondContact SG-N 2.94Å; I39-Y41 VanDerWaalsContact O-CD2 3.25Å; I39-Y41 WeakPolarHBondContact O-CD2 3.5Å; I39-Y41 WeakPolarHBondContact O-CE2 3.24Å; I39-I64 HydrophobicContact CD1-CB 4.28Å; I39-I64 HydrophobicContact CD1-CG1 4.08Å; I39-R67 HydrophobicContact CD1-CB 4.18Å; I39-R67 HydrophobicContact CD1-CG 4.19Å; I39-R67 HydrophobicContact CG2-CG 4.29Å
40T95Very high94.9Very high3 Ų344.4 Ų44.42%0.01822%0.219CC..  trans-103.6136.3-178-56.20000110.8E24 C34 Y42 H56E24-T40 HydrophobicContact CB-CG2 3.62Å; E24-T40 HydrophobicContact CG-CG2 3.61Å; C34-T40 PolarHBondContact N-O 3.11Å; T40-Y42 HydrophobicContact CG2-CE1 3.9Å; T40-Y42 HydrophobicContact CG2-CE2 4.02Å; T40-Y42 VanDerWaalsContact CG2-CZ 3.49Å; T40-Y42 WeakPolarHBondContact CG2-OH 3.47Å; T40-H56 VanDerWaalsContact CB-CE1 3.49Å; T40-H56 WeakPolarHBondContact CB-CE1 3.44Å; T40-H56 PolarHBondContact OG1-CE1 3.26Å
41Y95.4Very high95Very high32 Ų3244.4 Ų44.413%0.12522%0.219CC..EExtended strand (participates in β ladder)trans-124149.3-172.4-61-98000110.8F10 H21 C23 E24 L32 Q33 I39F10-Y41 HydrophobicContact CD1-CD1 4.2Å; F10-Y41 HydrophobicContact CD1-CE1 4.39Å; F10-Y41 HydrophobicContact CD2-CD1 4.22Å; F10-Y41 AromaticContact CD2-CE1 3.74Å; F10-Y41 HydrophobicContact CD2-CE1 3.74Å; F10-Y41 HydrophobicContact CE1-CD1 4.35Å; F10-Y41 HydrophobicContact CE1-CE1 4.29Å; F10-Y41 HydrophobicContact CE2-CD1 4.38Å; F10-Y41 AromaticContact CE2-CE1 3.64Å; F10-Y41 HydrophobicContact CE2-CE1 3.64Å; F10-Y41 HydrophobicContact CG-CD1 4.11Å; F10-Y41 HydrophobicContact CG-CE1 4.11Å; F10-Y41 HydrophobicContact CZ-CD1 4.41Å; F10-Y41 AromaticContact CZ-CE1 3.9Å; F10-Y41 HydrophobicContact CZ-CE1 3.9Å; H21-Y41 HydrophobicContact CB-CD1 3.92Å; H21-Y41 HydrophobicContact CB-CD2 4.2Å; H21-Y41 HydrophobicContact CB-CE1 4.22Å; H21-Y41 HydrophobicContact CB-CG 3.91Å; H21-Y41 AromaticContact CE1-CE2 3.74Å; H21-Y41 AromaticContact CE1-CZ 3.56Å; H21-Y41 PolarHBondContact CE1-OH 3Å; H21-Y41 AromaticContact CG-CE1 3.91Å; H21-Y41 AromaticContact CG-CZ 3.84Å; H21-Y41 AromaticContact ND1-CD2 3.66Å; H21-Y41 AromaticContact ND1-CE1 3.89Å; H21-Y41 AromaticContact ND1-CE2 3.22Å; H21-Y41 WeakPolarHBondContact ND1-CE2 3.07Å; H21-Y41 AromaticContact ND1-CZ 3.33Å; H21-Y41 VanDerWaalsContact ND1-CZ 3.33Å; C23-Y41 CarbonylContact C-O 3.58Å; C23-Y41 WeakPolarHBondContact CA-O 3.38Å; E24-Y41 PolarHBondContact N-O 3.47Å; L32-Y41 CarbonylContact O-C 3.48Å; L32-Y41 VanDerWaalsContact O-CA 3.24Å; L32-Y41 WeakPolarHBondContact O-CA 3.34Å; Q33-Y41 HydrophobicContact CB-CD1 3.95Å; Q33-Y41 HydrophobicContact CB-CE1 3.98Å; Q33-Y41 HydrophobicContact CG-CD1 3.98Å; Q33-Y41 HydrophobicContact CG-CE1 3.67Å; Q33-Y41 PolarHBondContact NE2-OH 3.48Å; Q33-Y41 VanDerWaalsContact NE2-OH 3.11Å; I39-Y41 VanDerWaalsContact O-CD2 3.25Å; I39-Y41 WeakPolarHBondContact O-CD2 3.5Å; I39-Y41 WeakPolarHBondContact O-CE2 3.24Å
42Y96.5Very high95.2Very high1 Ų139.4 Ų39.40%0.00420%0.199CC..EExtended strand (participates in β ladder)trans-137149.8-176.6-50-83000111.1E24 A30 Y31 L32 C34 T40 G44 H47 Q48 D51E24-Y42 HydrophobicContact CB-CD1 4.43Å; E24-Y42 HydrophobicContact CB-CE1 4.17Å; A30-Y42 CarbonylContact C-O 3.59Å; A30-Y42 WeakPolarHBondContact CA-O 3.3Å; A30-Y42 WeakPolarHBondContact CB-O 3.49Å; Y31-Y42 PolarHBondContact N-O 3.37Å; L32-Y42 PolarHBondContact N-O 2.88Å; L32-Y42 PolarHBondContact O-N 3.42Å; C34-Y42 HydrophobicContact CB-CE2 4.21Å; T40-Y42 HydrophobicContact CG2-CE1 3.9Å; T40-Y42 HydrophobicContact CG2-CE2 4.02Å; T40-Y42 VanDerWaalsContact CG2-CZ 3.49Å; T40-Y42 WeakPolarHBondContact CG2-OH 3.47Å; Y42-G44 VanDerWaalsContact C-N 3.25Å; Y42-G44 PolarHBondContact O-N 3.44Å; Y42-H47 HydrophobicContact CD1-CB 4.41Å; Y42-Q48 HydrophobicContact CD1-CB 4.21Å; Y42-Q48 HydrophobicContact CD2-CB 3.78Å; Y42-Q48 HydrophobicContact CD2-CG 3.75Å; Y42-Q48 HydrophobicContact CE1-CB 4.46Å; Y42-Q48 HydrophobicContact CE2-CB 4.07Å; Y42-Q48 HydrophobicContact CE2-CG 3.61Å; Y42-Q48 HydrophobicContact CG-CB 3.84Å; Y42-Q48 HydrophobicContact CG-CG 4.31Å; Y42-D51 HydrophobicContact CE1-CB 3.68Å; Y42-D51 WeakPolarHBondContact CE1-OD2 3.41Å; Y42-D51 PolarHBondContact OH-OD2 3.19Å
43C95.6Very high95.2Very high40 Ų4041.5 Ų41.527%0.2721%0.213SC..SBendtrans-76-13.2172.764.40000113C23 P29 H47C23-C43 HydrophobicContact CB-CB 3.9Å; C23-C43 PolarHBondContact SG-N 3.4Å; P29-C43 VanDerWaalsContact O-CB 3.31Å; P29-C43 WeakPolarHBondContact O-CB 3.28Å; C43-H47 PolarHBondContact SG-ND1 2.94Å
44G95.2Very high95.4Very high23 Ų2339.9 Ų39.924%0.23721%0.205CC..SBendtrans-179.2169.9-178.400000112.4Y42 E46 H47 Q48Y42-G44 VanDerWaalsContact C-N 3.25Å; Y42-G44 PolarHBondContact O-N 3.44Å; G44-E46 PolarHBondContact O-N 3.24Å; G44-H47 PolarHBondContact O-N 3.48Å; G44-Q48 PolarHBondContact O-N 3.35Å
45I95.2Very high95.5Very high88 Ų8839.9 Ų39.945%0.45121%0.205SC..Hα-helixtrans-63-32.4-175.1-64176.6000111.2L4 L32 Q48 K49L4-I45 HydrophobicContact CD2-CG2 4.36Å; L32-I45 HydrophobicContact CD1-CB 4.38Å; L32-I45 HydrophobicContact CD1-CG1 3.6Å; L32-I45 VanDerWaalsContact CD1-N 3.33Å; I45-Q48 WeakPolarHBondContact O-CB 3.49Å; I45-Q48 PolarHBondContact O-N 3.05Å; I45-K49 HydrophobicContact CG2-CD 4.13Å; I45-K49 HydrophobicContact CG2-CG 4.23Å; I45-K49 WeakPolarHBondContact O-CG 3.44Å; I45-K49 PolarHBondContact O-N 3.23Å
46E95.8Very high95.7Very high118 Ų11839 Ų3955%0.55120%0.196SC*.Hα-helixtrans-63.1-48.7-178.8-59.8-50.8113.500112.1G44 Q48 K49 I50G44-E46 PolarHBondContact O-N 3.24Å; E46-Q48 VanDerWaalsContact C-N 3.29Å; E46-Q48 PolarHBondContact O-N 3.02Å; E46-K49 WeakPolarHBondContact O-CB 3.37Å; E46-K49 PolarHBondContact O-N 3.5Å; E46-K49 IonicContact OE1-NZ 2.74Å; E46-K49 PolarHBondContact OE1-NZ 3.08Å; E46-K49 IonicContact OE2-NZ 3.6Å; E46-I50 WeakPolarHBondContact O-CD1 3.08Å; E46-I50 WeakPolarHBondContact O-CG1 3.24Å; E46-I50 PolarHBondContact O-N 3.39Å
47H97.5Very high95.9Very high44 Ų4439 Ų3920%0.20419%0.19CC..Hα-helixtrans-66.5-30173.7-77.5166.3000113.1C23 V25 C26 Y42 C43 G44 D51C23-H47 PolarHBondContact SG-ND1 3.29Å; C23-H47 VanDerWaalsContact SG-ND1 3.38Å; V25-H47 HydrophobicContact CB-CB 4.15Å; V25-H47 HydrophobicContact CG2-CB 4.03Å; C26-H47 VanDerWaalsContact CB-CE1 3.46Å; C26-H47 WeakPolarHBondContact CB-CE1 3.16Å; C26-H47 PolarHBondContact SG-CE1 3.37Å; Y42-H47 HydrophobicContact CD1-CB 4.41Å; C43-H47 PolarHBondContact SG-ND1 2.94Å; G44-H47 PolarHBondContact O-N 3.48Å; H47-D51 WeakPolarHBondContact O-CB 3.18Å; H47-D51 PolarHBondContact O-N 2.91Å
48Q96.9Very high96.1Very high4 Ų442.5 Ų42.52%0.01921%0.205CC..Hα-helixtrans-64.4-43172.3-171.4-165.13.800111.2L4 P5 Y42 G44 I45 E46 W52L4-Q48 HydrophobicContact CD1-CG 4.02Å; P5-Q48 PolarHBondContact O-NE2 3.37Å; Y42-Q48 HydrophobicContact CD1-CB 4.21Å; Y42-Q48 HydrophobicContact CD2-CB 3.78Å; Y42-Q48 HydrophobicContact CD2-CG 3.75Å; Y42-Q48 HydrophobicContact CE1-CB 4.46Å; Y42-Q48 HydrophobicContact CE2-CB 4.07Å; Y42-Q48 HydrophobicContact CE2-CG 3.61Å; Y42-Q48 HydrophobicContact CG-CB 3.84Å; Y42-Q48 HydrophobicContact CG-CG 4.31Å; G44-Q48 PolarHBondContact O-N 3.35Å; I45-Q48 WeakPolarHBondContact O-CB 3.49Å; I45-Q48 PolarHBondContact O-N 3.05Å; E46-Q48 VanDerWaalsContact C-N 3.29Å; E46-Q48 PolarHBondContact O-N 3.02Å; Q48-W52 WeakPolarHBondContact O-CB 3.46Å; Q48-W52 PolarHBondContact O-N 2.97Å
49K96.7Very high96.3Very high89 Ų8935.2 Ų35.239%0.38718%0.177SC..Hα-helixtrans-63.3-48.5177.3-75.3169-178.8162.70111.5L4 I45 E46 W52 V53L4-K49 HydrophobicContact CD1-CG 4.22Å; L4-K49 HydrophobicContact CD2-CG 3.59Å; I45-K49 HydrophobicContact CG2-CD 4.13Å; I45-K49 HydrophobicContact CG2-CG 4.23Å; I45-K49 WeakPolarHBondContact O-CG 3.44Å; I45-K49 PolarHBondContact O-N 3.23Å; E46-K49 WeakPolarHBondContact O-CB 3.37Å; E46-K49 PolarHBondContact O-N 3.5Å; E46-K49 IonicContact OE1-NZ 2.74Å; E46-K49 PolarHBondContact OE1-NZ 3.08Å; E46-K49 IonicContact OE2-NZ 3.6Å; K49-W52 PolarHBondContact O-N 3.47Å; K49-V53 WeakPolarHBondContact O-CG2 3.26Å; K49-V53 PolarHBondContact O-N 3.33Å
50I96.9Very high96.5Very high21 Ų2133.6 Ų33.611%0.10817%0.169CC..Hα-helixtrans-59.8-48.8179.7-67.6160000110.1E46 W52 V53 G54 E110 P114E46-I50 WeakPolarHBondContact O-CD1 3.08Å; E46-I50 WeakPolarHBondContact O-CG1 3.24Å; E46-I50 PolarHBondContact O-N 3.39Å; I50-W52 PolarHBondContact O-N 2.92Å; I50-V53 PolarHBondContact O-N 3.35Å; I50-G54 PolarHBondContact O-N 3.36Å; I50-E110 HydrophobicContact CD1-CG 3.78Å; I50-E110 WeakPolarHBondContact CD1-OE1 3.39Å; I50-E110 HydrophobicContact CG1-CG 4.09Å; I50-E110 HydrophobicContact CG2-CG 3.9Å; I50-E110 WeakPolarHBondContact CG2-O 3.44Å; I50-P114 HydrophobicContact CG2-CG 3.79Å
51D97.9Very high96.4Very high0 Ų037.7 Ų37.70%019%0.19CC..Hα-helixtrans-63.5-41.1176.5-170.730000111.8V25 Y42 H47 V53 G54 I55 H56 P114V25-D51 HydrophobicContact CG2-CB 4.02Å; Y42-D51 HydrophobicContact CE1-CB 3.68Å; Y42-D51 WeakPolarHBondContact CE1-OD2 3.41Å; Y42-D51 PolarHBondContact OH-OD2 3.19Å; H47-D51 WeakPolarHBondContact O-CB 3.18Å; H47-D51 PolarHBondContact O-N 2.91Å; D51-V53 PolarHBondContact O-N 3.27Å; D51-G54 PolarHBondContact O-N 3.26Å; D51-I55 PolarHBondContact O-N 3.17Å; D51-I55 VanDerWaalsContact OD1-CG2 3.31Å; D51-I55 WeakPolarHBondContact OD1-CG2 3.47Å; D51-H56 HydrophobicContact CB-CB 4.41Å; D51-H56 WeakPolarHBondContact O-CB 3.44Å; D51-H56 PolarHBondContact O-N 2.67Å; D51-H56 WeakPolarHBondContact OD2-CB 3.38Å; D51-H56 IonicContact OD2-CG 2.6Å; D51-H56 IonicContact OD2-ND1 3.79Å; D51-H56 PolarHBondContact OD2-ND1 3.06Å; D51-P114 HydrophobicContact CB-CB 4.16Å; D51-P114 HydrophobicContact CB-CG 4.35Å; D51-P114 WeakPolarHBondContact OD1-CB 3.48Å
52W97.5Very high96.3Very high18 Ų1838.4 Ų38.47%0.06820%0.196CC..Iπ-helixtrans-59.1-49.3177.5-171.9-106000113.1R2 H3 L4 P5 Q48 K49 I50 H56 K57 C60R2-W52 HydrophobicContact CB-CZ2 3.84Å; R2-W52 PolarHBondContact O-NE1 2.81Å; H3-W52 WeakPolarHBondContact O-CZ2 3.48Å; H3-W52 PolarHBondContact O-NE1 3.29Å; L4-W52 HydrophobicContact CD1-CB 3.53Å; L4-W52 HydrophobicContact CD1-CD2 4.43Å; L4-W52 HydrophobicContact CD1-CG 3.71Å; P5-W52 HydrophobicContact CG-CD2 4.4Å; P5-W52 HydrophobicContact CG-CE3 3.9Å; P5-W52 HydrophobicContact CG-CH2 3.96Å; P5-W52 HydrophobicContact CG-CZ2 4.44Å; P5-W52 HydrophobicContact CG-CZ3 3.66Å; Q48-W52 WeakPolarHBondContact O-CB 3.46Å; Q48-W52 PolarHBondContact O-N 2.97Å; K49-W52 PolarHBondContact O-N 3.47Å; I50-W52 PolarHBondContact O-N 2.92Å; W52-H56 HydrophobicContact CE3-CB 4.12Å; W52-H56 AromaticContact CE3-CD2 3.66Å; W52-H56 AromaticContact CZ3-CD2 3.72Å; W52-K57 HydrophobicContact CD2-CB 3.77Å; W52-K57 HydrophobicContact CE3-CB 4.13Å; W52-K57 HydrophobicContact CG-CB 4.32Å; W52-K57 HydrophobicContact CH2-CB 4.07Å; W52-K57 HydrophobicContact CZ2-CB 3.7Å; W52-K57 HydrophobicContact CZ3-CB 4.27Å; W52-K57 WeakPolarHBondContact O-CB 3.5Å; W52-K57 WeakPolarHBondContact O-CD 3.33Å; W52-K57 WeakPolarHBondContact O-CG 3.41Å; W52-K57 PolarHBondContact O-N 3.35Å; W52-C60 HydrophobicContact CZ3-CB 4.28Å
53V96.3Very high96.2Very high70 Ų7039.2 Ų39.242%0.42420%0.2SC..Iπ-helixtrans-67-45.3179.3175.30000110.3K49 I50 D51 K57 E111K49-V53 WeakPolarHBondContact O-CG2 3.26Å; K49-V53 PolarHBondContact O-N 3.33Å; I50-V53 PolarHBondContact O-N 3.35Å; D51-V53 PolarHBondContact O-N 3.27Å; V53-K57 PolarHBondContact O-NZ 3.38Å; V53-E111 HydrophobicContact CB-CG 4.4Å; V53-E111 HydrophobicContact CG1-CG 4.04Å
54G97.4Very high96Very high0 Ų040 Ų400%020%0.201CC..Iπ-helixtrans-64.6-52.9-176.600000113.4I50 D51 E99 E111I50-G54 PolarHBondContact O-N 3.36Å; D51-G54 PolarHBondContact O-N 3.26Å; G54-E99 VanDerWaalsContact O-CG 3.27Å; G54-E99 WeakPolarHBondContact O-CG 3.41Å; G54-E111 WeakPolarHBondContact CA-O 3.33Å
55I98Very high95.7Very high0 Ų040.5 Ų40.50%020%0.201CC..Iπ-helixtrans-154-33.6-174.3-164.660.7000115.5D51 K57 K58 I59 L95 T96 E99 P114 A115 Q118D51-I55 PolarHBondContact O-N 3.17Å; D51-I55 VanDerWaalsContact OD1-CG2 3.31Å; D51-I55 WeakPolarHBondContact OD1-CG2 3.47Å; I55-K57 VanDerWaalsContact C-N 3.25Å; I55-K57 PolarHBondContact O-N 2.88Å; I55-K57 VanDerWaalsContact O-N 3.11Å; I55-K58 HydrophobicContact CD1-CD 4.46Å; I55-K58 WeakPolarHBondContact O-CB 3.38Å; I55-K58 PolarHBondContact O-N 3.29Å; I55-I59 HydrophobicContact CD1-CG2 4.31Å; I55-I59 HydrophobicContact CG1-CD1 4.11Å; I55-I59 HydrophobicContact CG1-CG1 4.37Å; I55-I59 HydrophobicContact CG1-CG2 4.09Å; I55-I59 HydrophobicContact CG2-CD1 4.31Å; I55-I59 PolarHBondContact O-N 2.9Å; I55-L95 HydrophobicContact CD1-CD2 3.51Å; I55-T96 HydrophobicContact CD1-CG2 3.98Å; I55-T96 HydrophobicContact CG1-CG2 3.87Å; I55-E99 HydrophobicContact CD1-CB 3.9Å; I55-E99 HydrophobicContact CD1-CG 3.97Å; I55-P114 HydrophobicContact CG2-CB 4.19Å; I55-A115 HydrophobicContact CB-CB 3.94Å; I55-A115 HydrophobicContact CD1-CB 4.43Å; I55-A115 HydrophobicContact CG1-CB 4.31Å; I55-A115 HydrophobicContact CG2-CB 4.45Å; I55-Q118 HydrophobicContact CG2-CB 4.47Å; I55-Q118 HydrophobicContact CG2-CG 3.79Å
56H97.4Very high95.3Very high1 Ų137.4 Ų37.41%0.00518%0.184CC..Iπ-helixtrans-58.1-37.2-167.8-161.477.2000112.4C34 T40 D51 W52 K58 I59 C60C34-H56 PolarHBondContact SG-NE2 3.5Å; C34-H56 VanDerWaalsContact SG-NE2 3.45Å; T40-H56 VanDerWaalsContact CB-CE1 3.49Å; T40-H56 WeakPolarHBondContact CB-CE1 3.44Å; T40-H56 PolarHBondContact OG1-CE1 3.26Å; D51-H56 HydrophobicContact CB-CB 4.41Å; D51-H56 WeakPolarHBondContact O-CB 3.44Å; D51-H56 PolarHBondContact O-N 2.67Å; D51-H56 WeakPolarHBondContact OD2-CB 3.38Å; D51-H56 IonicContact OD2-CG 2.6Å; D51-H56 IonicContact OD2-ND1 3.79Å; D51-H56 PolarHBondContact OD2-ND1 3.06Å; W52-H56 HydrophobicContact CE3-CB 4.12Å; W52-H56 AromaticContact CE3-CD2 3.66Å; W52-H56 AromaticContact CZ3-CD2 3.72Å; H56-K58 PolarHBondContact O-N 3.32Å; H56-I59 PolarHBondContact O-N 3.31Å; H56-I59 VanDerWaalsContact O-N 3.15Å; H56-C60 PolarHBondContact NE2-SG 3.41Å; H56-C60 WeakPolarHBondContact O-CA 3.04Å; H56-C60 WeakPolarHBondContact O-CB 3.16Å; H56-C60 PolarHBondContact O-N 3.5Å
57K96Very high94.6Very high69 Ų6940.8 Ų40.830%0.319%0.192SC..Hα-helixtrans-54.9-29.8176.875.8-169.5178.9-143.70113.7R2 W52 V53 I55R2-K57 PolarHBondContact NH1-O 3Å; W52-K57 HydrophobicContact CD2-CB 3.77Å; W52-K57 HydrophobicContact CE3-CB 4.13Å; W52-K57 HydrophobicContact CG-CB 4.32Å; W52-K57 HydrophobicContact CH2-CB 4.07Å; W52-K57 HydrophobicContact CZ2-CB 3.7Å; W52-K57 HydrophobicContact CZ3-CB 4.27Å; W52-K57 WeakPolarHBondContact O-CB 3.5Å; W52-K57 WeakPolarHBondContact O-CD 3.33Å; W52-K57 WeakPolarHBondContact O-CG 3.41Å; W52-K57 PolarHBondContact O-N 3.35Å; V53-K57 PolarHBondContact O-NZ 3.38Å; I55-K57 VanDerWaalsContact C-N 3.25Å; I55-K57 PolarHBondContact O-N 2.88Å; I55-K57 VanDerWaalsContact O-N 3.11Å
58K96.8Very high93.6Very high83 Ų8343.7 Ų43.736%0.36121%0.206SC..Hα-helixtrans-86.7-33.8-177.2-63.2-177.3170.1-177.10112.2I55 H56 L95 E99I55-K58 HydrophobicContact CD1-CD 4.46Å; I55-K58 WeakPolarHBondContact O-CB 3.38Å; I55-K58 PolarHBondContact O-N 3.29Å; H56-K58 PolarHBondContact O-N 3.32Å; K58-L95 HydrophobicContact CB-CD2 4.27Å; K58-L95 HydrophobicContact CD-CD2 4.3Å; K58-E99 WeakPolarHBondContact CE-OE1 3.48Å; K58-E99 IonicContact NZ-OE1 3.85Å; K58-E99 PolarHBondContact NZ-OE1 3.41Å; K58-E99 IonicContact NZ-OE2 2.82Å; K58-E99 PolarHBondContact NZ-OE2 2.87Å
59I96.6Very high92.3Very high0 Ų048.4 Ų48.40%024%0.239CC..Hα-helixtrans-108.6-7.7-171.666.8169000114I55 H56 L61 D62 L63 L92 L95 T96 Q118 F122I55-I59 HydrophobicContact CD1-CG2 4.31Å; I55-I59 HydrophobicContact CG1-CD1 4.11Å; I55-I59 HydrophobicContact CG1-CG1 4.37Å; I55-I59 HydrophobicContact CG1-CG2 4.09Å; I55-I59 HydrophobicContact CG2-CD1 4.31Å; I55-I59 PolarHBondContact O-N 2.9Å; H56-I59 PolarHBondContact O-N 3.31Å; H56-I59 VanDerWaalsContact O-N 3.15Å; I59-L61 VanDerWaalsContact C-N 3.35Å; I59-L61 PolarHBondContact O-N 2.97Å; I59-D62 WeakPolarHBondContact O-CA 3.2Å; I59-D62 WeakPolarHBondContact O-CB 3.48Å; I59-D62 PolarHBondContact O-N 2.99Å; I59-L63 HydrophobicContact CD1-CD1 4.19Å; I59-L63 HydrophobicContact CD1-CD2 4.39Å; I59-L63 HydrophobicContact CD1-CG 4.39Å; I59-L63 HydrophobicContact CG1-CD1 4.24Å; I59-L63 HydrophobicContact CG1-CG 4.41Å; I59-L63 WeakPolarHBondContact O-CG 3.42Å; I59-L63 PolarHBondContact O-N 3.37Å; I59-L92 HydrophobicContact CB-CD2 4.27Å; I59-L92 HydrophobicContact CG2-CD2 3.73Å; I59-L95 HydrophobicContact CG2-CD2 4.01Å; I59-T96 HydrophobicContact CG2-CG2 4.37Å; I59-Q118 HydrophobicContact CD1-CB 4.11Å; I59-Q118 HydrophobicContact CD1-CG 3.59Å; I59-F122 HydrophobicContact CD1-CE2 4.12Å; I59-F122 HydrophobicContact CD1-CZ 4.34Å
60C95.4Very high91.1Very high1 Ų152.5 Ų52.51%0.00726%0.257CS..THydrogen-bonded Turntrans-50.7-48.4-169.2-171.80000113.7C37 W52 H56C37-C60 VanDerWaalsContact CB-O 3.26Å; C37-C60 WeakPolarHBondContact CB-O 3.47Å; C37-C60 VanDerWaalsContact CB-SG 3.57Å; W52-C60 HydrophobicContact CZ3-CB 4.28Å; H56-C60 PolarHBondContact NE2-SG 3.41Å; H56-C60 WeakPolarHBondContact O-CA 3.04Å; H56-C60 WeakPolarHBondContact O-CB 3.16Å; H56-C60 PolarHBondContact O-N 3.5Å
61L93.1Very high90.1Very high89 Ų8953.6 Ų53.647%0.46627%0.273SS..THydrogen-bonded Turntrans-74.8-30.2179.7-65177.3000112V36 I59 L63 I64V36-L61 HydrophobicContact CG1-CD2 3.81Å; I59-L61 VanDerWaalsContact C-N 3.35Å; I59-L61 PolarHBondContact O-N 2.97Å; L61-L63 VanDerWaalsContact C-N 3.29Å; L61-L63 PolarHBondContact O-N 2.98Å; L61-I64 HydrophobicContact CD2-CD1 3.97Å; L61-I64 WeakPolarHBondContact O-CB 3.49Å; L61-I64 PolarHBondContact O-N 3.46Å
62D94Very high89.4Confident48 Ų4863.7 Ų63.726%0.25732%0.318SS..Hα-helixtrans-67.9-32.3178.5-64-46.3000112.3I59 I64 S65 F66 K88 L92I59-D62 WeakPolarHBondContact O-CA 3.2Å; I59-D62 WeakPolarHBondContact O-CB 3.48Å; I59-D62 PolarHBondContact O-N 2.99Å; D62-I64 PolarHBondContact O-N 3.29Å; D62-S65 WeakPolarHBondContact O-CB 3.44Å; D62-S65 PolarHBondContact O-N 3.24Å; D62-F66 WeakPolarHBondContact O-CD2 3.42Å; D62-F66 WeakPolarHBondContact O-CE2 3.48Å; D62-K88 WeakPolarHBondContact OD1-CE 3.48Å; D62-K88 IonicContact OD1-NZ 3.42Å; D62-K88 PolarHBondContact OD1-NZ 2.86Å; D62-L92 HydrophobicContact CB-CD1 4.07Å; D62-L92 HydrophobicContact CB-CD2 4.15Å
63L93.4Very high88.8Confident17 Ų1765.6 Ų65.69%0.08933%0.331CS..Hα-helixtrans-58.8-28.7174.3-67.9173000112.9I59 L61 F66 F122I59-L63 HydrophobicContact CD1-CD1 4.19Å; I59-L63 HydrophobicContact CD1-CD2 4.39Å; I59-L63 HydrophobicContact CD1-CG 4.39Å; I59-L63 HydrophobicContact CG1-CD1 4.24Å; I59-L63 HydrophobicContact CG1-CG 4.41Å; I59-L63 WeakPolarHBondContact O-CG 3.42Å; I59-L63 PolarHBondContact O-N 3.37Å; L61-L63 VanDerWaalsContact C-N 3.29Å; L61-L63 PolarHBondContact O-N 2.98Å; L63-F66 PolarHBondContact O-N 2.96Å; L63-F122 HydrophobicContact CD2-CE1 4.13Å; L63-F122 HydrophobicContact CD2-CZ 3.66Å
64I91.5Very high88.6Confident58 Ų5865.2 Ų65.230%0.29733%0.331SS..Hα-helixtrans-64.6-42.6178.7-55.8173.2000110.4C37 I39 L61 D62 F66 R67 E68C37-I64 HydrophobicContact CB-CD1 4.4Å; C37-I64 HydrophobicContact CB-CG1 4.02Å; I39-I64 HydrophobicContact CD1-CB 4.28Å; I39-I64 HydrophobicContact CD1-CG1 4.08Å; L61-I64 HydrophobicContact CD2-CD1 3.97Å; L61-I64 WeakPolarHBondContact O-CB 3.49Å; L61-I64 PolarHBondContact O-N 3.46Å; D62-I64 PolarHBondContact O-N 3.29Å; I64-F66 PolarHBondContact O-N 3.31Å; I64-F66 VanDerWaalsContact O-N 3.09Å; I64-R67 PolarHBondContact O-N 3.12Å; I64-E68 PolarHBondContact O-N 3.42Å
65S88.6Confident88.3Confident32 Ų3272 Ų7222%0.22436%0.361CS..Hα-helixtrans-59.6-25.8-177.8-52.70000113.4D62 K88D62-S65 WeakPolarHBondContact O-CB 3.44Å; D62-S65 PolarHBondContact O-N 3.24Å; S65-K88 PolarHBondContact OG-NZ 2.87Å
66F86.7Confident88Confident23 Ų2377.6 Ų77.610%0.10139%0.391CS..THydrogen-bonded Turntrans-82.9-8.6179.3-66.3-80.6000114.4D62 L63 I64 L85 K88 N89 L92 F122D62-F66 WeakPolarHBondContact O-CD2 3.42Å; D62-F66 WeakPolarHBondContact O-CE2 3.48Å; L63-F66 PolarHBondContact O-N 2.96Å; I64-F66 PolarHBondContact O-N 3.31Å; I64-F66 VanDerWaalsContact O-N 3.09Å; F66-L85 HydrophobicContact CD1-CD1 3.52Å; F66-L85 HydrophobicContact CD1-CD2 4.18Å; F66-L85 HydrophobicContact CD1-CG 3.89Å; F66-L85 HydrophobicContact CE1-CD1 3.43Å; F66-L85 VanDerWaalsContact CE1-CD1 3.43Å; F66-L85 HydrophobicContact CE1-CG 3.74Å; F66-L85 HydrophobicContact CG-CD1 4.12Å; F66-L85 HydrophobicContact CZ-CD1 3.96Å; F66-K88 HydrophobicContact CZ-CG 4.26Å; F66-N89 HydrophobicContact CE1-CB 3.88Å; F66-N89 HydrophobicContact CZ-CB 4.05Å; F66-L92 HydrophobicContact CE2-CD1 3.35Å; F66-L92 HydrophobicContact CZ-CD1 3.66Å; F66-F122 HydrophobicContact CD2-CE1 4.43Å; F66-F122 HydrophobicContact CE2-CE1 4.12Å
67R81.8Confident87.7Confident189 Ų18984.3 Ų84.371%0.71342%0.42SS*.THydrogen-bonded Turntrans-115.2-8.4179.5-68.1-135.7-174.4-126.86.3114.3I39 I64 S69I39-R67 HydrophobicContact CD1-CB 4.18Å; I39-R67 HydrophobicContact CD1-CG 4.19Å; I39-R67 HydrophobicContact CG2-CG 4.29Å; I64-R67 PolarHBondContact O-N 3.12Å; R67-S69 PolarHBondContact O-N 2.9Å
68E76Confident87.4Confident105 Ų10587.2 Ų87.249%0.49143%0.429SS..SBendtrans-54.3132.4175.5-72-179.5-179.800111.2I64 K70 K81I64-E68 PolarHBondContact O-N 3.42Å; E68-K70 PolarHBondContact O-N 3.48Å; E68-K81 IonicContact OE2-NZ 3.87Å; E68-K81 PolarHBondContact OE2-NZ 2.88Å
69S71Confident87.2Confident104 Ų10487.6 Ų87.673%0.72743%0.432SS*.  trans-61.2137.7174.661.80000109.8R67 G71R67-S69 PolarHBondContact O-N 2.9Å; S69-G71 VanDerWaalsContact C-N 3.27Å; S69-G71 PolarHBondContact O-N 3.2Å
70K70.6Confident87Confident175 Ų17593.7 Ų93.776%0.76146%0.459SS*.  trans-69.990.9169-64179-177.1179.90106.6E68E68-K70 PolarHBondContact O-N 3.48Å
71G76.9Confident86.7Confident43 Ų4397.8 Ų97.844%0.44348%0.476SS..  trans-55.6170.3171.800000111.7S69 V73S69-G71 VanDerWaalsContact C-N 3.27Å; S69-G71 PolarHBondContact O-N 3.2Å; G71-V73 PolarHBondContact O-N 3.25Å
72F82.8Confident86.6Confident213 Ų21396.6 Ų96.693%0.93448%0.476SS*.SBendtrans-73.292.3177.3-163.5-96.2000110.2
73V85.3Confident86.6Confident58 Ų58100.2 Ų100.235%0.35249%0.491SS..  trans-118.4156.2177.4-62.10000110.8G71 K77 R78G71-V73 PolarHBondContact O-N 3.25Å; V73-K77 HydrophobicContact CB-CB 4.13Å; V73-K77 HydrophobicContact CG2-CB 4.4Å; V73-R78 HydrophobicContact CG2-CB 4.11Å
74S90.5Very high86.6Confident62 Ų62104.4 Ų104.443%0.43451%0.51SS..  trans-58.5160.2175.265.10000112D76 K77 R78S74-D76 PolarHBondContact O-N 2.97Å; S74-K77 PolarHBondContact O-N 2.97Å; S74-K77 WeakPolarHBondContact OG-CB 3.41Å; S74-K77 WeakPolarHBondContact OG-CG 3.23Å; S74-K77 PolarHBondContact OG-N 3.45Å; S74-R78 WeakPolarHBondContact O-CB 3.4Å; S74-R78 PolarHBondContact O-N 3.35Å
75K91.2Very high86.7Confident142 Ų142104.1 Ų104.162%0.61751%0.509SS*.Hα-helixtrans-55.5-51178.8-175.8-178.6168.3-173.80111.4K77 R78 E79K75-K77 VanDerWaalsContact C-N 3.33Å; K75-K77 PolarHBondContact O-N 3.07Å; K75-R78 WeakPolarHBondContact O-CA 3.46Å; K75-R78 VanDerWaalsContact O-CB 3.27Å; K75-R78 WeakPolarHBondContact O-CB 3.25Å; K75-R78 PolarHBondContact O-N 3.25Å; K75-E79 WeakPolarHBondContact CE-OE1 3.32Å; K75-E79 IonicContact NZ-OE1 2.92Å; K75-E79 PolarHBondContact O-N 3.28Å
76D92.3Very high87Confident118 Ų118107.8 Ų107.863%0.63152%0.522SS*.Hα-helixtrans-61-41.2-178.9-47.7-21.5000112.3S74 R78 E79 K80S74-D76 PolarHBondContact O-N 2.97Å; D76-R78 VanDerWaalsContact C-N 3.28Å; D76-R78 PolarHBondContact O-N 3Å; D76-E79 PolarHBondContact O-N 3.47Å; D76-K80 WeakPolarHBondContact O-CB 3.28Å; D76-K80 PolarHBondContact O-N 3.38Å
77K91.3Very high87.4Confident142 Ų142111.3 Ų111.362%0.61754%0.542SS*.Hα-helixtrans-65.7-33.2175.4-74.3-177.7-179.9-178.50111.9V73 S74 K75 K81V73-K77 HydrophobicContact CB-CB 4.13Å; V73-K77 HydrophobicContact CG2-CB 4.4Å; S74-K77 PolarHBondContact O-N 2.97Å; S74-K77 WeakPolarHBondContact OG-CB 3.41Å; S74-K77 WeakPolarHBondContact OG-CG 3.23Å; S74-K77 PolarHBondContact OG-N 3.45Å; K75-K77 VanDerWaalsContact C-N 3.33Å; K75-K77 PolarHBondContact O-N 3.07Å; K77-K81 WeakPolarHBondContact O-CB 3.42Å; K77-K81 PolarHBondContact O-N 3.24Å
78R89.5Confident88.1Confident129 Ų129104.9 Ų104.949%0.48752%0.519SS..Hα-helixtrans-70.2-43.7177-172.4-175-58.81763.2111.6V73 S74 K75 D76 K81 S82V73-R78 HydrophobicContact CG2-CB 4.11Å; S74-R78 WeakPolarHBondContact O-CB 3.4Å; S74-R78 PolarHBondContact O-N 3.35Å; K75-R78 WeakPolarHBondContact O-CA 3.46Å; K75-R78 VanDerWaalsContact O-CB 3.27Å; K75-R78 WeakPolarHBondContact O-CB 3.25Å; K75-R78 PolarHBondContact O-N 3.25Å; D76-R78 VanDerWaalsContact C-N 3.28Å; D76-R78 PolarHBondContact O-N 3Å; R78-K81 PolarHBondContact O-N 3.42Å; R78-S82 WeakPolarHBondContact O-CB 3.39Å; R78-S82 PolarHBondContact O-N 2.88Å
79E92Very high89.1Confident91 Ų91100 Ų10043%0.42550%0.497SS..Hα-helixtrans-63.2-50.3177.3-72.8173.5177.400110.1K75 D76 K81 S82 E83K75-E79 WeakPolarHBondContact CE-OE1 3.32Å; K75-E79 IonicContact NZ-OE1 2.92Å; K75-E79 PolarHBondContact O-N 3.28Å; D76-E79 PolarHBondContact O-N 3.47Å; E79-K81 PolarHBondContact O-N 2.92Å; E79-S82 WeakPolarHBondContact O-CA 3.45Å; E79-S82 VanDerWaalsContact O-CB 3.28Å; E79-S82 WeakPolarHBondContact O-CB 3.39Å; E79-S82 PolarHBondContact O-N 3.08Å; E79-E83 PolarHBondContact O-N 3.2Å
80K92.7Very high90.4Very high129 Ų12997.8 Ų97.856%0.56148%0.477SS*.Hα-helixtrans-56.1-47174.9-174.1174.6179.1176.30113.1D76 S82 E83 E84D76-K80 WeakPolarHBondContact O-CB 3.28Å; D76-K80 PolarHBondContact O-N 3.38Å; K80-S82 VanDerWaalsContact C-N 3.26Å; K80-S82 PolarHBondContact O-N 3.48Å; K80-E83 PolarHBondContact O-N 2.97Å; K80-E84 WeakPolarHBondContact CE-OE1 3.32Å; K80-E84 WeakPolarHBondContact O-CB 3.44Å; K80-E84 VanDerWaalsContact O-CG 3.32Å; K80-E84 WeakPolarHBondContact O-CG 3.43Å; K80-E84 PolarHBondContact O-N 3.25Å
81K90.3Very high91.7Very high86 Ų8694.5 Ų94.537%0.37447%0.467SS..Hα-helixtrans-62.5-34.1176.1-176170-176.1170.40111.9E68 K77 R78 E79 L85E68-K81 IonicContact OE2-NZ 3.87Å; E68-K81 PolarHBondContact OE2-NZ 2.88Å; K77-K81 WeakPolarHBondContact O-CB 3.42Å; K77-K81 PolarHBondContact O-N 3.24Å; R78-K81 PolarHBondContact O-N 3.42Å; E79-K81 PolarHBondContact O-N 2.92Å; K81-L85 WeakPolarHBondContact O-CB 3.34Å; K81-L85 PolarHBondContact O-N 2.87Å
82S91Very high92.7Very high65 Ų6592.7 Ų92.746%0.45545%0.447SS..Hα-helixtrans-67.6-45.1177.5-165.60000111.6R78 E79 K80 L85 Q86R78-S82 WeakPolarHBondContact O-CB 3.39Å; R78-S82 PolarHBondContact O-N 2.88Å; E79-S82 WeakPolarHBondContact O-CA 3.45Å; E79-S82 VanDerWaalsContact O-CB 3.28Å; E79-S82 WeakPolarHBondContact O-CB 3.39Å; E79-S82 PolarHBondContact O-N 3.08Å; K80-S82 VanDerWaalsContact C-N 3.26Å; K80-S82 PolarHBondContact O-N 3.48Å; S82-L85 PolarHBondContact O-N 3.21Å; S82-Q86 WeakPolarHBondContact O-CB 3.41Å; S82-Q86 PolarHBondContact O-N 3.35Å
83E93.7Very high93.4Very high124 Ų12483 Ų8358%0.57941%0.406SS*.Hα-helixtrans-62.3-45.8175.7-69.3174.1-179.900111.6E79 K80 L85 Q86 N87E79-E83 PolarHBondContact O-N 3.2Å; K80-E83 PolarHBondContact O-N 2.97Å; E83-L85 VanDerWaalsContact C-N 3.32Å; E83-L85 PolarHBondContact O-N 3Å; E83-Q86 PolarHBondContact O-N 3.27Å; E83-Q86 VanDerWaalsContact O-N 3.17Å; E83-N87 PolarHBondContact O-N 3.49Å; E83-N87 PolarHBondContact O-ND2 3.31Å
84E93.5Very high94Very high105 Ų10588.4 Ų88.449%0.49142%0.42SS..Hα-helixtrans-58.1-43.3175.1-73.8170.9-177.300111.8K80 Q86 K88K80-E84 WeakPolarHBondContact CE-OE1 3.32Å; K80-E84 WeakPolarHBondContact O-CB 3.44Å; K80-E84 VanDerWaalsContact O-CG 3.32Å; K80-E84 WeakPolarHBondContact O-CG 3.43Å; K80-E84 PolarHBondContact O-N 3.25Å; E84-Q86 VanDerWaalsContact C-N 3.34Å; E84-K88 WeakPolarHBondContact O-CB 3.41Å; E84-K88 PolarHBondContact O-N 2.96Å
85L93.1Very high94.4Very high52 Ų5288.4 Ų88.427%0.27241%0.414SS..Hα-helixtrans-67.9-35178.1-169.364.6000112F66 K81 S82 E83 N89F66-L85 HydrophobicContact CD1-CD1 3.52Å; F66-L85 HydrophobicContact CD1-CD2 4.18Å; F66-L85 HydrophobicContact CD1-CG 3.89Å; F66-L85 HydrophobicContact CE1-CD1 3.43Å; F66-L85 VanDerWaalsContact CE1-CD1 3.43Å; F66-L85 HydrophobicContact CE1-CG 3.74Å; F66-L85 HydrophobicContact CG-CD1 4.12Å; F66-L85 HydrophobicContact CZ-CD1 3.96Å; K81-L85 WeakPolarHBondContact O-CB 3.34Å; K81-L85 PolarHBondContact O-N 2.87Å; S82-L85 PolarHBondContact O-N 3.21Å; E83-L85 VanDerWaalsContact C-N 3.32Å; E83-L85 PolarHBondContact O-N 3Å; L85-N89 WeakPolarHBondContact O-CB 3.29Å; L85-N89 PolarHBondContact O-N 2.96Å
86Q94.6Very high94.7Very high108 Ų10881.6 Ų81.651%0.50539%0.385SS..Hα-helixtrans-68.5-45.6176.4-176.4162.2-6.100111.6S82 E83 E84 K88 N89 L90S82-Q86 WeakPolarHBondContact O-CB 3.41Å; S82-Q86 PolarHBondContact O-N 3.35Å; E83-Q86 PolarHBondContact O-N 3.27Å; E83-Q86 VanDerWaalsContact O-N 3.17Å; E84-Q86 VanDerWaalsContact C-N 3.34Å; Q86-K88 PolarHBondContact O-N 2.65Å; Q86-N89 WeakPolarHBondContact O-CB 3.41Å; Q86-N89 PolarHBondContact O-N 2.81Å; Q86-N89 VanDerWaalsContact O-N 3.12Å; Q86-L90 WeakPolarHBondContact O-CG 3.5Å; Q86-L90 PolarHBondContact O-N 2.91Å
87N96Very high95Very high97 Ų9778.5 Ų78.552%0.51937%0.367SS..Hα-helixtrans-59.9-46.4174.4-71.3-24000111.2E83 N89 L90 D91E83-N87 PolarHBondContact O-N 3.49Å; E83-N87 PolarHBondContact O-ND2 3.31Å; N87-N89 VanDerWaalsContact C-N 3.26Å; N87-N89 PolarHBondContact O-N 3.07Å; N87-L90 PolarHBondContact O-N 3.37Å; N87-L90 VanDerWaalsContact O-N 3.13Å; N87-D91 PolarHBondContact O-N 2.89Å
88K96Very high95.4Very high54 Ų5476.2 Ų76.224%0.23536%0.361CS..Hα-helixtrans-58.4-38174.3-176.5171.6-178.6163.60112.4D62 S65 F66 E84 Q86 D91 L92D62-K88 WeakPolarHBondContact OD1-CE 3.48Å; D62-K88 IonicContact OD1-NZ 3.42Å; D62-K88 PolarHBondContact OD1-NZ 2.86Å; S65-K88 PolarHBondContact OG-NZ 2.87Å; F66-K88 HydrophobicContact CZ-CG 4.26Å; E84-K88 WeakPolarHBondContact O-CB 3.41Å; E84-K88 PolarHBondContact O-N 2.96Å; Q86-K88 PolarHBondContact O-N 2.65Å; K88-D91 PolarHBondContact O-N 3.43Å; K88-L92 HydrophobicContact CG-CD1 4.38Å; K88-L92 VanDerWaalsContact O-CG 3.3Å; K88-L92 WeakPolarHBondContact O-CG 3.36Å; K88-L92 PolarHBondContact O-N 3.44Å; K88-L92 VanDerWaalsContact O-N 3.07Å
89N96.7Very high95.8Very high3 Ų371 Ų712%0.01634%0.342CS..Hα-helixtrans-65.7-42.2176.9-168.169.7000111.9F66 L85 Q86 N87 L92 V93 F122 R125 A126F66-N89 HydrophobicContact CE1-CB 3.88Å; F66-N89 HydrophobicContact CZ-CB 4.05Å; L85-N89 WeakPolarHBondContact O-CB 3.29Å; L85-N89 PolarHBondContact O-N 2.96Å; Q86-N89 WeakPolarHBondContact O-CB 3.41Å; Q86-N89 PolarHBondContact O-N 2.81Å; Q86-N89 VanDerWaalsContact O-N 3.12Å; N87-N89 VanDerWaalsContact C-N 3.26Å; N87-N89 PolarHBondContact O-N 3.07Å; N89-L92 PolarHBondContact O-N 3.38Å; N89-V93 WeakPolarHBondContact O-CG2 3.27Å; N89-V93 PolarHBondContact O-N 2.84Å; N89-F122 PolarHBondContact ND2-O 2.69Å; N89-F122 WeakPolarHBondContact OD1-CD1 3.49Å; N89-R125 VanDerWaalsContact OD1-CD 3.28Å; N89-R125 WeakPolarHBondContact OD1-CD 3.44Å; N89-A126 WeakPolarHBondContact ND2-CA 3.45Å; N89-A126 VanDerWaalsContact ND2-CB 3.31Å; N89-A126 WeakPolarHBondContact ND2-CB 3.32Å; N89-A126 PolarHBondContact ND2-N 3.17Å; N89-A126 VanDerWaalsContact ND2-N 3.19Å
90L97.5Very high96.1Very high58 Ų5866.6 Ų66.630%0.30432%0.321SS..Hα-helixtrans-63.6-41175.9-67.5172.4000111.9Q86 N87 L92 V93 R94 A126 Y127Q86-L90 WeakPolarHBondContact O-CG 3.5Å; Q86-L90 PolarHBondContact O-N 2.91Å; N87-L90 PolarHBondContact O-N 3.37Å; N87-L90 VanDerWaalsContact O-N 3.13Å; L90-L92 VanDerWaalsContact C-N 3.28Å; L90-L92 PolarHBondContact O-N 2.88Å; L90-V93 WeakPolarHBondContact O-CB 3.25Å; L90-V93 PolarHBondContact O-N 3.44Å; L90-R94 PolarHBondContact O-N 3.07Å; L90-A126 HydrophobicContact CD2-CB 3.84Å; L90-Y127 HydrophobicContact CD2-CE1 3.87Å; L90-Y127 WeakPolarHBondContact CD2-OH 3.42Å
91D97.9Very high96.3Very high106 Ų10664.2 Ų64.257%0.56731%0.312SS*.Hα-helixtrans-60.1-39.9174-71.6-27.1000111.7N87 K88 R94 L95N87-D91 PolarHBondContact O-N 2.89Å; K88-D91 PolarHBondContact O-N 3.43Å; D91-R94 PolarHBondContact O-N 3.41Å; D91-L95 WeakPolarHBondContact O-CB 3.46Å; D91-L95 PolarHBondContact O-N 3.27Å
92L98Very high96.7Very high4 Ų465.2 Ų65.22%0.02132%0.317CS..Hα-helixtrans-69.5-37.1176.6-70.6169.9000112.8I59 D62 F66 K88 N89 L90 R94 L95 T96 F122I59-L92 HydrophobicContact CB-CD2 4.27Å; I59-L92 HydrophobicContact CG2-CD2 3.73Å; D62-L92 HydrophobicContact CB-CD1 4.07Å; D62-L92 HydrophobicContact CB-CD2 4.15Å; F66-L92 HydrophobicContact CE2-CD1 3.35Å; F66-L92 HydrophobicContact CZ-CD1 3.66Å; K88-L92 HydrophobicContact CG-CD1 4.38Å; K88-L92 VanDerWaalsContact O-CG 3.3Å; K88-L92 WeakPolarHBondContact O-CG 3.36Å; K88-L92 PolarHBondContact O-N 3.44Å; K88-L92 VanDerWaalsContact O-N 3.07Å; N89-L92 PolarHBondContact O-N 3.38Å; L90-L92 VanDerWaalsContact C-N 3.28Å; L90-L92 PolarHBondContact O-N 2.88Å; L92-R94 VanDerWaalsContact C-N 3.33Å; L92-R94 PolarHBondContact O-N 3.16Å; L92-L95 PolarHBondContact O-N 2.89Å; L92-T96 WeakPolarHBondContact O-CB 3.48Å; L92-T96 WeakPolarHBondContact O-CG2 3.27Å; L92-T96 PolarHBondContact O-N 3.36Å; L92-T96 PolarHBondContact O-OG1 2.82Å; L92-F122 HydrophobicContact CB-CD1 4.19Å; L92-F122 HydrophobicContact CB-CD2 3.75Å; L92-F122 HydrophobicContact CB-CE1 4.3Å; L92-F122 HydrophobicContact CB-CE2 3.87Å; L92-F122 HydrophobicContact CB-CG 3.92Å; L92-F122 HydrophobicContact CB-CZ 4.15Å; L92-F122 HydrophobicContact CD1-CD1 4.21Å; L92-F122 HydrophobicContact CD1-CE1 3.69Å; L92-F122 HydrophobicContact CD1-CE2 4.29Å; L92-F122 HydrophobicContact CD1-CZ 3.73Å; L92-F122 HydrophobicContact CG-CE2 4.47Å; L92-F122 HydrophobicContact CG-CZ 4.38Å
93V98.1Very high97.1Very high10 Ų1062.6 Ų62.66%0.06130%0.297CS..Hα-helixtrans-55.4-52170.3173.70000109.6N89 L90 L95 T96 Q97 F122 A123 A126 Y127N89-V93 WeakPolarHBondContact O-CG2 3.27Å; N89-V93 PolarHBondContact O-N 2.84Å; L90-V93 WeakPolarHBondContact O-CB 3.25Å; L90-V93 PolarHBondContact O-N 3.44Å; V93-L95 PolarHBondContact O-N 2.57Å; V93-T96 PolarHBondContact O-N 2.93Å; V93-T96 PolarHBondContact O-OG1 3.21Å; V93-Q97 VanDerWaalsContact O-CB 3.29Å; V93-Q97 WeakPolarHBondContact O-CB 3.29Å; V93-Q97 PolarHBondContact O-N 3.39Å; V93-F122 VanDerWaalsContact CG2-C 3.45Å; V93-F122 HydrophobicContact CG2-CB 3.58Å; V93-A123 HydrophobicContact CG1-CB 4.36Å; V93-A123 HydrophobicContact CG2-CB 4.22Å; V93-A126 HydrophobicContact CG2-CB 4.4Å; V93-Y127 HydrophobicContact CG1-CE2 4.49Å
94R98.2Very high97.2Very high172 Ų17257.8 Ų57.865%0.64928%0.275SS*.Hα-helixtrans-61.4-46.7-179.5-175.6180180-174.61.2112.2L90 D91 L92 Q97 L98L90-R94 PolarHBondContact O-N 3.07Å; D91-R94 PolarHBondContact O-N 3.41Å; L92-R94 VanDerWaalsContact C-N 3.33Å; L92-R94 PolarHBondContact O-N 3.16Å; R94-Q97 PolarHBondContact O-N 2.98Å; R94-L98 HydrophobicContact CG-CD1 3.97Å; R94-L98 HydrophobicContact CG-CG 4.49Å; R94-L98 WeakPolarHBondContact O-CB 3.29Å; R94-L98 VanDerWaalsContact O-CG 3.3Å; R94-L98 WeakPolarHBondContact O-CG 3.32Å; R94-L98 PolarHBondContact O-N 3.44Å
95L98.5Very high97.3Very high61 Ų6162 Ų6232%0.31929%0.292SS..Hα-helixtrans-60.8-48.7-178.9-177.6158.8000111.3I55 K58 I59 D91 L92 V93 L98 E99I55-L95 HydrophobicContact CD1-CD2 3.51Å; K58-L95 HydrophobicContact CB-CD2 4.27Å; K58-L95 HydrophobicContact CD-CD2 4.3Å; I59-L95 HydrophobicContact CG2-CD2 4.01Å; D91-L95 WeakPolarHBondContact O-CB 3.46Å; D91-L95 PolarHBondContact O-N 3.27Å; L92-L95 PolarHBondContact O-N 2.89Å; V93-L95 PolarHBondContact O-N 2.57Å; L95-L98 PolarHBondContact O-N 3.46Å; L95-E99 WeakPolarHBondContact O-CB 3.43Å; L95-E99 PolarHBondContact O-N 3.01Å
96T98.6Very high97.4Very high0 Ų063.6 Ų63.60%030%0.299CS..Hα-helixtrans-68.3-38.1-177.753.10000112I55 I59 L92 V93 A100 Q118 C119 F122I55-T96 HydrophobicContact CD1-CG2 3.98Å; I55-T96 HydrophobicContact CG1-CG2 3.87Å; I59-T96 HydrophobicContact CG2-CG2 4.37Å; L92-T96 WeakPolarHBondContact O-CB 3.48Å; L92-T96 WeakPolarHBondContact O-CG2 3.27Å; L92-T96 PolarHBondContact O-N 3.36Å; L92-T96 PolarHBondContact O-OG1 2.82Å; V93-T96 PolarHBondContact O-N 2.93Å; V93-T96 PolarHBondContact O-OG1 3.21Å; T96-A100 WeakPolarHBondContact O-CB 3.39Å; T96-A100 PolarHBondContact O-N 3.49Å; T96-Q118 HydrophobicContact CG2-CB 3.82Å; T96-C119 WeakPolarHBondContact OG1-CA 3.42Å; T96-C119 VanDerWaalsContact OG1-CB 3.26Å; T96-C119 WeakPolarHBondContact OG1-CB 3.46Å; T96-C119 PolarHBondContact OG1-N 3.32Å; T96-F122 HydrophobicContact CG2-CD2 3.9Å; T96-F122 HydrophobicContact CG2-CE2 3.9Å
97Q98.3Very high97.4Very high53 Ų5361.1 Ų61.125%0.24830%0.302CS..Hα-helixtrans-62.4-49.8174.4-168.7175.213.900112.1V93 R94 E99 A100 Q101 S136V93-Q97 VanDerWaalsContact O-CB 3.29Å; V93-Q97 WeakPolarHBondContact O-CB 3.29Å; V93-Q97 PolarHBondContact O-N 3.39Å; R94-Q97 PolarHBondContact O-N 2.98Å; Q97-E99 VanDerWaalsContact C-N 3.35Å; Q97-E99 PolarHBondContact O-N 3.41Å; Q97-A100 PolarHBondContact O-N 3.3Å; Q97-Q101 WeakPolarHBondContact O-CB 3.3Å; Q97-Q101 WeakPolarHBondContact O-CG 3.42Å; Q97-Q101 PolarHBondContact O-N 3.43Å; Q97-S136 PolarHBondContact NE2-OG 3.22Å
98L98.4Very high97.5Very high94 Ų9460.8 Ų60.849%0.49230%0.296SS..Hα-helixtrans-63.3-41.2179.5-72.1174.3000111.8R94 L95 K102R94-L98 HydrophobicContact CG-CD1 3.97Å; R94-L98 HydrophobicContact CG-CG 4.49Å; R94-L98 WeakPolarHBondContact O-CB 3.29Å; R94-L98 VanDerWaalsContact O-CG 3.3Å; R94-L98 WeakPolarHBondContact O-CG 3.32Å; R94-L98 PolarHBondContact O-N 3.44Å; L95-L98 PolarHBondContact O-N 3.46Å; L98-K102 VanDerWaalsContact O-CB 3.26Å; L98-K102 WeakPolarHBondContact O-CB 3.4Å; L98-K102 PolarHBondContact O-N 3.15Å
99E98.5Very high97.6Very high18 Ų1859.1 Ų59.18%0.08429%0.291CS..Hα-helixtrans-65.8-43.1177.8-170.469.2161.500111.7G54 I55 K58 L95 Q97 K102 L103G54-E99 VanDerWaalsContact O-CG 3.27Å; G54-E99 WeakPolarHBondContact O-CG 3.41Å; I55-E99 HydrophobicContact CD1-CB 3.9Å; I55-E99 HydrophobicContact CD1-CG 3.97Å; K58-E99 WeakPolarHBondContact CE-OE1 3.48Å; K58-E99 IonicContact NZ-OE1 3.85Å; K58-E99 PolarHBondContact NZ-OE1 3.41Å; K58-E99 IonicContact NZ-OE2 2.82Å; K58-E99 PolarHBondContact NZ-OE2 2.87Å; L95-E99 WeakPolarHBondContact O-CB 3.43Å; L95-E99 PolarHBondContact O-N 3.01Å; Q97-E99 VanDerWaalsContact C-N 3.35Å; Q97-E99 PolarHBondContact O-N 3.41Å; E99-K102 PolarHBondContact O-N 2.95Å; E99-L103 HydrophobicContact CG-CD1 3.97Å; E99-L103 HydrophobicContact CG-CG 4.5Å; E99-L103 WeakPolarHBondContact O-CB 3.31Å; E99-L103 VanDerWaalsContact O-CG 3.28Å; E99-L103 WeakPolarHBondContact O-CG 3.05Å; E99-L103 PolarHBondContact O-N 3.2Å
100A98.6Very high97.6Very high0 Ų063.6 Ų63.60%031%0.312CS..Hα-helixtrans-62.3-45.8177.800000111.7T96 Q97 K102 L103 L104 A115 A116 V140T96-A100 WeakPolarHBondContact O-CB 3.39Å; T96-A100 PolarHBondContact O-N 3.49Å; Q97-A100 PolarHBondContact O-N 3.3Å; A100-K102 PolarHBondContact O-N 3.05Å; A100-L103 PolarHBondContact O-N 3.38Å; A100-L104 WeakPolarHBondContact O-CG 3.3Å; A100-L104 PolarHBondContact O-N 3.23Å; A100-A115 HydrophobicContact CB-CB 3.67Å; A100-A116 HydrophobicContact CB-CB 4.12Å; A100-V140 HydrophobicContact CB-CG1 3.55Å
101Q97.7Very high97.6Very high78 Ų7863 Ų6336%0.36431%0.308SS..Hα-helixtrans-62.5-42.3176.5-73.4175.4-19.200112.3Q97 L104 F105 V140Q97-Q101 WeakPolarHBondContact O-CB 3.3Å; Q97-Q101 WeakPolarHBondContact O-CG 3.42Å; Q97-Q101 PolarHBondContact O-N 3.43Å; Q101-L104 PolarHBondContact O-N 3.28Å; Q101-F105 PolarHBondContact O-N 2.94Å; Q101-V140 HydrophobicContact CG-CG2 4.17Å
102K98.3Very high97.6Very high108 Ų10858 Ų5847%0.4728%0.281SS..Hα-helixtrans-59.4-48.4175.3178.7-170.7167.4-172.80111.2L98 E99 A100 L104 F105 E106L98-K102 VanDerWaalsContact O-CB 3.26Å; L98-K102 WeakPolarHBondContact O-CB 3.4Å; L98-K102 PolarHBondContact O-N 3.15Å; E99-K102 PolarHBondContact O-N 2.95Å; A100-K102 PolarHBondContact O-N 3.05Å; K102-L104 VanDerWaalsContact C-N 3.33Å; K102-L104 PolarHBondContact O-N 2.86Å; K102-F105 WeakPolarHBondContact O-CB 3.14Å; K102-F105 PolarHBondContact O-N 3.05Å; K102-E106 WeakPolarHBondContact CE-OE1 3.3Å; K102-E106 IonicContact NZ-OE1 2.78Å; K102-E106 WeakPolarHBondContact O-CG 3.2Å; K102-E106 PolarHBondContact O-N 3.47Å
103L98.4Very high97.6Very high9 Ų958.2 Ų58.25%0.04728%0.282CS..Hα-helixtrans-63.6-39-179.6-72166.8000111.9E99 A100 E106 G107 K108 E111 A112 A115E99-L103 HydrophobicContact CG-CD1 3.97Å; E99-L103 HydrophobicContact CG-CG 4.5Å; E99-L103 WeakPolarHBondContact O-CB 3.31Å; E99-L103 VanDerWaalsContact O-CG 3.28Å; E99-L103 WeakPolarHBondContact O-CG 3.05Å; E99-L103 PolarHBondContact O-N 3.2Å; A100-L103 PolarHBondContact O-N 3.38Å; L103-E106 CarbonylContact O-C 3.53Å; L103-E106 PolarHBondContact O-N 3.36Å; L103-G107 PolarHBondContact O-N 3.14Å; L103-K108 HydrophobicContact CB-CB 4.32Å; L103-K108 HydrophobicContact CD2-CB 4.1Å; L103-K108 HydrophobicContact CD2-CD 3.96Å; L103-K108 WeakPolarHBondContact O-CB 3.34Å; L103-K108 PolarHBondContact O-N 3.45Å; L103-E111 HydrophobicContact CD1-CB 4.06Å; L103-E111 HydrophobicContact CD2-CB 4.21Å; L103-A112 HydrophobicContact CB-CB 3.76Å; L103-A115 HydrophobicContact CD1-CB 4.49Å
104L97Very high97.6Very high23 Ų2357.9 Ų57.912%0.1228%0.28CS..Hα-helixtrans-61.7-43.2172.6-74.7175.5000112.4A100 Q101 K102 E106 G107 A112 V140 E143 S144A100-L104 WeakPolarHBondContact O-CG 3.3Å; A100-L104 PolarHBondContact O-N 3.23Å; Q101-L104 PolarHBondContact O-N 3.28Å; K102-L104 VanDerWaalsContact C-N 3.33Å; K102-L104 PolarHBondContact O-N 2.86Å; L104-E106 PolarHBondContact O-N 3.42Å; L104-G107 PolarHBondContact O-N 3.36Å; L104-A112 HydrophobicContact CD2-CB 3.79Å; L104-A112 HydrophobicContact CG-CB 3.75Å; L104-V140 HydrophobicContact CD1-CB 4.43Å; L104-V140 HydrophobicContact CD1-CG1 3.66Å; L104-E143 HydrophobicContact CD1-CB 3.98Å; L104-E143 HydrophobicContact CD1-CG 3.83Å; L104-E143 HydrophobicContact CD2-CG 4.04Å; L104-E143 HydrophobicContact CG-CG 4.46Å; L104-S144 WeakPolarHBondContact CD2-OG 3.31Å
105F94.8Very high97.6Very high193 Ų19349.7 Ų49.785%0.84625%0.249SC*.Hα-helixtrans-62.7-32.3175.7-174.4-95.5000112.3Q101 K102 G107Q101-F105 PolarHBondContact O-N 2.94Å; K102-F105 WeakPolarHBondContact O-CB 3.14Å; K102-F105 PolarHBondContact O-N 3.05Å; F105-G107 PolarHBondContact O-N 3.39Å
106E96.3Very high97.6Very high86 Ų8646.8 Ų46.840%0.40223%0.234SC..THydrogen-bonded Turntrans-78.2-0.5172.5-67.5179.6-171.300113.7K102 L103 L104 K108K102-E106 WeakPolarHBondContact CE-OE1 3.3Å; K102-E106 IonicContact NZ-OE1 2.78Å; K102-E106 WeakPolarHBondContact O-CG 3.2Å; K102-E106 PolarHBondContact O-N 3.47Å; L103-E106 CarbonylContact O-C 3.53Å; L103-E106 PolarHBondContact O-N 3.36Å; L104-E106 PolarHBondContact O-N 3.42Å; E106-K108 HydrophobicContact CB-CD 4.32Å; E106-K108 HydrophobicContact CB-CG 4.31Å; E106-K108 PolarHBondContact O-N 2.99Å; E106-K108 WeakPolarHBondContact OE2-CE 3.36Å; E106-K108 IonicContact OE2-NZ 2.65Å; E106-K108 PolarHBondContact OE2-NZ 3.5Å
107G94.6Very high97.6Very high57 Ų5748 Ų4859%0.58824%0.24SC*.THydrogen-bonded Turntrans76.15-176.600000114.9L103 L104 F105 S109L103-G107 PolarHBondContact O-N 3.14Å; L104-G107 PolarHBondContact O-N 3.36Å; F105-G107 PolarHBondContact O-N 3.39Å; G107-S109 VanDerWaalsContact C-N 3.29Å; G107-S109 PolarHBondContact O-N 2.94Å
108K97.5Very high97.6Very high89 Ų8945.6 Ų45.639%0.38723%0.229SC..  trans-84.767.1-176.6-70.2179.3-172.3156.90111.6L103 E106 E110 E111 A112L103-K108 HydrophobicContact CB-CB 4.32Å; L103-K108 HydrophobicContact CD2-CB 4.1Å; L103-K108 HydrophobicContact CD2-CD 3.96Å; L103-K108 WeakPolarHBondContact O-CB 3.34Å; L103-K108 PolarHBondContact O-N 3.45Å; E106-K108 HydrophobicContact CB-CD 4.32Å; E106-K108 HydrophobicContact CB-CG 4.31Å; E106-K108 PolarHBondContact O-N 2.99Å; E106-K108 WeakPolarHBondContact OE2-CE 3.36Å; E106-K108 IonicContact OE2-NZ 2.65Å; E106-K108 PolarHBondContact OE2-NZ 3.5Å; K108-E110 VanDerWaalsContact C-N 3.28Å; K108-E110 PolarHBondContact O-N 2.99Å; K108-E111 HydrophobicContact CB-CB 4.47Å; K108-E111 WeakPolarHBondContact CB-OE2 3.05Å; K108-E111 PolarHBondContact O-N 3.48Å; K108-A112 WeakPolarHBondContact O-CB 3.48Å; K108-A112 PolarHBondContact O-N 3.35Å
109S97.5Very high97.6Very high19 Ų1941.2 Ų41.213%0.13321%0.206CC..Hα-helixtrans-65.8-30.3-174.4-58.90000113.1G107 L113G107-S109 VanDerWaalsContact C-N 3.29Å; G107-S109 PolarHBondContact O-N 2.94Å; S109-L113 PolarHBondContact O-N 2.82Å
110E96.9Very high97.6Very high97 Ų9741.5 Ų41.545%0.45321%0.208SC..Hα-helixtrans-69.6-42.3-179.7-165.3166.8-153.600111.4I50 K108 P114 L148I50-E110 HydrophobicContact CD1-CG 3.78Å; I50-E110 WeakPolarHBondContact CD1-OE1 3.39Å; I50-E110 HydrophobicContact CG1-CG 4.09Å; I50-E110 HydrophobicContact CG2-CG 3.9Å; I50-E110 WeakPolarHBondContact CG2-O 3.44Å; K108-E110 VanDerWaalsContact C-N 3.28Å; K108-E110 PolarHBondContact O-N 2.99Å; E110-P114 WeakPolarHBondContact O-CD 3.26Å; E110-L148 HydrophobicContact CB-CD2 3.96Å; E110-L148 HydrophobicContact CG-CD2 4.5Å
111E97.6Very high97.5Very high47 Ų4745.8 Ų45.822%0.2223%0.227CC..Hα-helixtrans-78.5-28.8177.5-58.695.3141.100112.9V53 G54 L103 K108 L113 P114V53-E111 HydrophobicContact CB-CG 4.4Å; V53-E111 HydrophobicContact CG1-CG 4.04Å; G54-E111 WeakPolarHBondContact CA-O 3.33Å; L103-E111 HydrophobicContact CD1-CB 4.06Å; L103-E111 HydrophobicContact CD2-CB 4.21Å; K108-E111 HydrophobicContact CB-CB 4.47Å; K108-E111 WeakPolarHBondContact CB-OE2 3.05Å; K108-E111 PolarHBondContact O-N 3.48Å; E111-L113 VanDerWaalsContact C-N 3.29Å; E111-L113 PolarHBondContact O-N 2.97Å; E111-P114 WeakPolarHBondContact O-CD 3.47Å
112A98.2Very high97.5Very high0 Ų042.2 Ų42.20%021%0.21CC..Hα-helixtrans-65.8-32.2174.900000112.5L103 L104 K108 A115 A116 S144L103-A112 HydrophobicContact CB-CB 3.76Å; L104-A112 HydrophobicContact CD2-CB 3.79Å; L104-A112 HydrophobicContact CG-CB 3.75Å; K108-A112 WeakPolarHBondContact O-CB 3.48Å; K108-A112 PolarHBondContact O-N 3.35Å; A112-A115 PolarHBondContact O-N 3.47Å; A112-A116 WeakPolarHBondContact O-CB 3.34Å; A112-A116 PolarHBondContact O-N 2.87Å; A112-S144 WeakPolarHBondContact CB-OG 3.39Å
113L98.2Very high97.4Very high9 Ų937.1 Ų37.15%0.04719%0.188CC..Hα-helixtrans-59.5-52.1-17717970.6000112.8S109 E111 A115 A116 L117 L141 L148S109-L113 PolarHBondContact O-N 2.82Å; E111-L113 VanDerWaalsContact C-N 3.29Å; E111-L113 PolarHBondContact O-N 2.97Å; L113-A115 VanDerWaalsContact C-N 3.34Å; L113-A115 PolarHBondContact O-N 3.38Å; L113-A116 PolarHBondContact O-N 3.21Å; L113-L117 HydrophobicContact CG-CD1 4.32Å; L113-L117 WeakPolarHBondContact O-CG 3.48Å; L113-L117 PolarHBondContact O-N 3.13Å; L113-L141 HydrophobicContact CD1-CD2 3.82Å; L113-L148 HydrophobicContact CD2-CD1 4.16Å
114P98.2Very high97.4Very high2 Ų239.2 Ų39.21%0.01320%0.201CC..Hα-helixtrans-58.5-40.6173.8-18.221.5000114.1V25 I50 D51 I55 E110 E111 A116 L117 Q118V25-P114 HydrophobicContact CG2-CG 4.25Å; I50-P114 HydrophobicContact CG2-CG 3.79Å; D51-P114 HydrophobicContact CB-CB 4.16Å; D51-P114 HydrophobicContact CB-CG 4.35Å; D51-P114 WeakPolarHBondContact OD1-CB 3.48Å; I55-P114 HydrophobicContact CG2-CB 4.19Å; E110-P114 WeakPolarHBondContact O-CD 3.26Å; E111-P114 WeakPolarHBondContact O-CD 3.47Å; P114-A116 VanDerWaalsContact C-N 3.33Å; P114-A116 PolarHBondContact O-N 3.43Å; P114-L117 PolarHBondContact O-N 3.14Å; P114-Q118 WeakPolarHBondContact O-CG 3.17Å; P114-Q118 PolarHBondContact O-N 3.48Å
115A98.5Very high97.3Very high0 Ų045 Ų450%022%0.222CC..Hα-helixtrans-60-44.7177.300000111.4I55 A100 L103 A112 L113 Q118 C119I55-A115 HydrophobicContact CB-CB 3.94Å; I55-A115 HydrophobicContact CD1-CB 4.43Å; I55-A115 HydrophobicContact CG1-CB 4.31Å; I55-A115 HydrophobicContact CG2-CB 4.45Å; A100-A115 HydrophobicContact CB-CB 3.67Å; L103-A115 HydrophobicContact CD1-CB 4.49Å; A112-A115 PolarHBondContact O-N 3.47Å; L113-A115 VanDerWaalsContact C-N 3.34Å; L113-A115 PolarHBondContact O-N 3.38Å; A115-Q118 PolarHBondContact O-N 2.95Å; A115-C119 WeakPolarHBondContact O-CB 3.32Å; A115-C119 PolarHBondContact O-N 3.38Å
116A98.5Very high97.3Very high0 Ų036.9 Ų36.90%019%0.19CC..Hα-helixtrans-67.5-36.617700000112.7A100 A112 L113 P114 C119 L120 V140 L141A100-A116 HydrophobicContact CB-CB 4.12Å; A112-A116 WeakPolarHBondContact O-CB 3.34Å; A112-A116 PolarHBondContact O-N 2.87Å; L113-A116 PolarHBondContact O-N 3.21Å; P114-A116 VanDerWaalsContact C-N 3.33Å; P114-A116 PolarHBondContact O-N 3.43Å; A116-C119 WeakPolarHBondContact O-CB 3.29Å; A116-C119 PolarHBondContact O-N 3.41Å; A116-L120 PolarHBondContact O-N 3.15Å; A116-V140 HydrophobicContact CB-CB 4.28Å; A116-V140 HydrophobicContact CB-CG1 3.63Å; A116-L141 HydrophobicContact CB-CD2 3.61Å; A116-L141 HydrophobicContact CB-CG 3.76Å
117L98.3Very high97.2Very high25 Ų2537.6 Ų37.613%0.13119%0.189CC..Hα-helixtrans-63.6-42.3174-74170.4000111.9V25 L113 P114 L120 K121 L141V25-L117 WeakPolarHBondContact O-CD1 3.29Å; L113-L117 HydrophobicContact CG-CD1 4.32Å; L113-L117 WeakPolarHBondContact O-CG 3.48Å; L113-L117 PolarHBondContact O-N 3.13Å; P114-L117 PolarHBondContact O-N 3.14Å; L117-L120 PolarHBondContact O-N 3.05Å; L117-K121 WeakPolarHBondContact O-CG 3.5Å; L117-K121 PolarHBondContact O-N 2.99Å; L117-K121 VanDerWaalsContact O-N 3.13Å; L117-L141 HydrophobicContact CD2-CD1 4.47Å; L117-L141 HydrophobicContact CD2-CD2 3.71Å; L117-L141 HydrophobicContact CG-CD2 3.74Å
118Q98Very high97.2Very high3 Ų336.3 Ų36.31%0.01418%0.176CC..Hα-helixtrans-65.5-42174.1-67.9-60.4-33.200111.4E24 I55 I59 T96 P114 A115 L120 K121 F122E24-Q118 PolarHBondContact OE1-NE2 3.41Å; I55-Q118 HydrophobicContact CG2-CB 4.47Å; I55-Q118 HydrophobicContact CG2-CG 3.79Å; I59-Q118 HydrophobicContact CD1-CB 4.11Å; I59-Q118 HydrophobicContact CD1-CG 3.59Å; T96-Q118 HydrophobicContact CG2-CB 3.82Å; P114-Q118 WeakPolarHBondContact O-CG 3.17Å; P114-Q118 PolarHBondContact O-N 3.48Å; A115-Q118 PolarHBondContact O-N 2.95Å; Q118-L120 VanDerWaalsContact C-N 3.31Å; Q118-L120 PolarHBondContact O-N 3.38Å; Q118-K121 PolarHBondContact O-N 3.27Å; Q118-K121 VanDerWaalsContact O-N 3.14Å; Q118-F122 HydrophobicContact CB-CD2 4.34Å; Q118-F122 HydrophobicContact CB-CE2 4.07Å; Q118-F122 WeakPolarHBondContact O-CD2 3.48Å; Q118-F122 PolarHBondContact O-N 3.11Å
119C98.4Very high96.8Very high2 Ų239.3 Ų39.31%0.01420%0.195CC..Hα-helixtrans-55.4-47175-172.20000111.8T96 A115 A116 K121 F122 A123T96-C119 WeakPolarHBondContact OG1-CA 3.42Å; T96-C119 VanDerWaalsContact OG1-CB 3.26Å; T96-C119 WeakPolarHBondContact OG1-CB 3.46Å; T96-C119 PolarHBondContact OG1-N 3.32Å; A115-C119 WeakPolarHBondContact O-CB 3.32Å; A115-C119 PolarHBondContact O-N 3.38Å; A116-C119 WeakPolarHBondContact O-CB 3.29Å; A116-C119 PolarHBondContact O-N 3.41Å; C119-K121 PolarHBondContact O-N 2.75Å; C119-F122 PolarHBondContact O-N 3.48Å; C119-A123 WeakPolarHBondContact O-CB 3.19Å; C119-A123 PolarHBondContact O-N 2.94Å
120L98Very high96.2Very high24 Ų2439.8 Ų39.813%0.12620%0.2CC..Hα-helixtrans-61.3-44.5176.8-179.263000111.6A116 L117 Q118 A123 V124 L134 P137 Y138 L141A116-L120 PolarHBondContact O-N 3.15Å; L117-L120 PolarHBondContact O-N 3.05Å; Q118-L120 VanDerWaalsContact C-N 3.31Å; Q118-L120 PolarHBondContact O-N 3.38Å; L120-A123 PolarHBondContact O-N 3.44Å; L120-V124 HydrophobicContact CD1-CG2 4.16Å; L120-V124 HydrophobicContact CG-CG2 4.48Å; L120-V124 VanDerWaalsContact O-CG2 3.3Å; L120-V124 WeakPolarHBondContact O-CG2 3.39Å; L120-V124 PolarHBondContact O-N 3.29Å; L120-L134 HydrophobicContact CD1-CB 4.37Å; L120-L134 HydrophobicContact CD1-CD2 4.3Å; L120-P137 HydrophobicContact CB-CB 4.01Å; L120-P137 HydrophobicContact CD1-CB 4.11Å; L120-Y138 HydrophobicContact CD1-CD2 4.44Å; L120-Y138 HydrophobicContact CD1-CE1 4.06Å; L120-Y138 HydrophobicContact CD1-CE2 3.95Å; L120-Y138 HydrophobicContact CD2-CD1 4.28Å; L120-Y138 HydrophobicContact CD2-CE1 3.65Å; L120-L141 HydrophobicContact CB-CD1 4.28Å; L120-L141 HydrophobicContact CD2-CD1 3.77Å
121K96.5Very high96Very high90 Ų9036.3 Ų36.339%0.39119%0.186SC..Hα-helixtrans-61.4-46.6179.2-74.9170.3174.2170.80112.6E24 L117 Q118 C119 R125E24-K121 IonicContact OE1-NZ 3.4Å; E24-K121 PolarHBondContact OE1-NZ 3.13Å; E24-K121 IonicContact OE2-NZ 2.74Å; E24-K121 PolarHBondContact OE2-NZ 3.23Å; L117-K121 WeakPolarHBondContact O-CG 3.5Å; L117-K121 PolarHBondContact O-N 2.99Å; L117-K121 VanDerWaalsContact O-N 3.13Å; Q118-K121 PolarHBondContact O-N 3.27Å; Q118-K121 VanDerWaalsContact O-N 3.14Å; C119-K121 PolarHBondContact O-N 2.75Å; K121-R125 PolarHBondContact O-N 3.22Å
122F97.3Very high95.8Very high4 Ų435.7 Ų35.72%0.01819%0.185CC..Hα-helixtrans-68.1-37.1177.1-65.2-55.1000111.7I59 L63 F66 N89 L92 V93 T96 Q118 C119 R125 A126I59-F122 HydrophobicContact CD1-CE2 4.12Å; I59-F122 HydrophobicContact CD1-CZ 4.34Å; L63-F122 HydrophobicContact CD2-CE1 4.13Å; L63-F122 HydrophobicContact CD2-CZ 3.66Å; F66-F122 HydrophobicContact CD2-CE1 4.43Å; F66-F122 HydrophobicContact CE2-CE1 4.12Å; N89-F122 PolarHBondContact ND2-O 2.69Å; N89-F122 WeakPolarHBondContact OD1-CD1 3.49Å; L92-F122 HydrophobicContact CB-CD1 4.19Å; L92-F122 HydrophobicContact CB-CD2 3.75Å; L92-F122 HydrophobicContact CB-CE1 4.3Å; L92-F122 HydrophobicContact CB-CE2 3.87Å; L92-F122 HydrophobicContact CB-CG 3.92Å; L92-F122 HydrophobicContact CB-CZ 4.15Å; L92-F122 HydrophobicContact CD1-CD1 4.21Å; L92-F122 HydrophobicContact CD1-CE1 3.69Å; L92-F122 HydrophobicContact CD1-CE2 4.29Å; L92-F122 HydrophobicContact CD1-CZ 3.73Å; L92-F122 HydrophobicContact CG-CE2 4.47Å; L92-F122 HydrophobicContact CG-CZ 4.38Å; V93-F122 VanDerWaalsContact CG2-C 3.45Å; V93-F122 HydrophobicContact CG2-CB 3.58Å; T96-F122 HydrophobicContact CG2-CD2 3.9Å; T96-F122 HydrophobicContact CG2-CE2 3.9Å; Q118-F122 HydrophobicContact CB-CD2 4.34Å; Q118-F122 HydrophobicContact CB-CE2 4.07Å; Q118-F122 WeakPolarHBondContact O-CD2 3.48Å; Q118-F122 PolarHBondContact O-N 3.11Å; C119-F122 PolarHBondContact O-N 3.48Å; F122-R125 PolarHBondContact O-N 3.26Å; F122-A126 WeakPolarHBondContact O-CB 3.35Å; F122-A126 PolarHBondContact O-N 3.41Å
123A97.8Very high95.6Very high0 Ų040.3 Ų40.30%021%0.207CC..Hα-helixtrans-66.8-43.1178.800000111.6V93 C119 L120 R125 A126 Y127 L134 P137V93-A123 HydrophobicContact CG1-CB 4.36Å; V93-A123 HydrophobicContact CG2-CB 4.22Å; C119-A123 WeakPolarHBondContact O-CB 3.19Å; C119-A123 PolarHBondContact O-N 2.94Å; L120-A123 PolarHBondContact O-N 3.44Å; A123-R125 VanDerWaalsContact C-N 3.26Å; A123-R125 PolarHBondContact O-N 3.19Å; A123-A126 PolarHBondContact O-N 3.12Å; A123-A126 VanDerWaalsContact O-N 3.09Å; A123-Y127 HydrophobicContact CB-CD2 4.25Å; A123-Y127 HydrophobicContact CB-CE2 4.44Å; A123-Y127 VanDerWaalsContact O-CD2 3.29Å; A123-Y127 WeakPolarHBondContact O-CD2 3.3Å; A123-Y127 PolarHBondContact O-N 2.73Å; A123-L134 HydrophobicContact CB-CD2 3.54Å; A123-P137 HydrophobicContact CB-CG 4.22Å
124V96.9Very high95.5Very high53 Ų5339.9 Ų39.932%0.32121%0.205SC..Hα-helixtrans-60.2-37.9173.4170.90000111.2L120 G128 I129 L134L120-V124 HydrophobicContact CD1-CG2 4.16Å; L120-V124 HydrophobicContact CG-CG2 4.48Å; L120-V124 VanDerWaalsContact O-CG2 3.3Å; L120-V124 WeakPolarHBondContact O-CG2 3.39Å; L120-V124 PolarHBondContact O-N 3.29Å; V124-G128 WeakPolarHBondContact O-CA 3.48Å; V124-G128 PolarHBondContact O-N 2.69Å; V124-I129 HydrophobicContact CG1-CG1 4.16Å; V124-L134 HydrophobicContact CG2-CD1 3.83Å; V124-L134 HydrophobicContact CG2-CD2 3.87Å
125R94.6Very high95.4Very high146 Ų14639.9 Ų39.955%0.55121%0.205SC*.Hα-helixtrans-68.1-36.3174.4174.7176.2-106.8126.7-5.8112.8N89 K121 F122 A123N89-R125 VanDerWaalsContact OD1-CD 3.28Å; N89-R125 WeakPolarHBondContact OD1-CD 3.44Å; K121-R125 PolarHBondContact O-N 3.22Å; F122-R125 PolarHBondContact O-N 3.26Å; A123-R125 VanDerWaalsContact C-N 3.26Å; A123-R125 PolarHBondContact O-N 3.19Å
126A95.2Very high95.3Very high21 Ų2141.1 Ų41.117%0.17421%0.213CC..Hα-helixtrans-73.3-45.9-177.400000112.2N89 L90 V93 F122 A123N89-A126 WeakPolarHBondContact ND2-CA 3.45Å; N89-A126 VanDerWaalsContact ND2-CB 3.31Å; N89-A126 WeakPolarHBondContact ND2-CB 3.32Å; N89-A126 PolarHBondContact ND2-N 3.17Å; N89-A126 VanDerWaalsContact ND2-N 3.19Å; L90-A126 HydrophobicContact CD2-CB 3.84Å; V93-A126 HydrophobicContact CG2-CB 4.4Å; F122-A126 WeakPolarHBondContact O-CB 3.35Å; F122-A126 PolarHBondContact O-N 3.41Å; A123-A126 PolarHBondContact O-N 3.12Å; A123-A126 VanDerWaalsContact O-N 3.09Å
127Y94.9Very high95.3Very high101 Ų10141.2 Ų41.240%0.39621%0.214SC..Hα-helixtrans-118.7-10.4-163.8-51-65.2000113.2L90 V93 A123 C131 E133L90-Y127 HydrophobicContact CD2-CE1 3.87Å; L90-Y127 WeakPolarHBondContact CD2-OH 3.42Å; V93-Y127 HydrophobicContact CG1-CE2 4.49Å; A123-Y127 HydrophobicContact CB-CD2 4.25Å; A123-Y127 HydrophobicContact CB-CE2 4.44Å; A123-Y127 VanDerWaalsContact O-CD2 3.29Å; A123-Y127 WeakPolarHBondContact O-CD2 3.3Å; A123-Y127 PolarHBondContact O-N 2.73Å; Y127-C131 WeakPolarHBondContact CB-SG 3.38Å; Y127-E133 HydrophobicContact CD1-CG 4.18Å; Y127-E133 HydrophobicContact CD2-CB 3.5Å; Y127-E133 VanDerWaalsContact CD2-CB 3.5Å; Y127-E133 HydrophobicContact CD2-CG 3.89Å; Y127-E133 HydrophobicContact CE1-CG 4.17Å; Y127-E133 HydrophobicContact CE2-CB 3.7Å; Y127-E133 HydrophobicContact CE2-CG 3.88Å; Y127-E133 HydrophobicContact CG-CB 4.01Å; Y127-E133 HydrophobicContact CG-CG 4.05Å
128G93.9Very high95.3Very high30 Ų3041.5 Ų41.531%0.30921%0.214SC..  trans89.2-168.7-17500000113.4V124V124-G128 WeakPolarHBondContact O-CA 3.48Å; V124-G128 PolarHBondContact O-N 2.69Å
129I90.5Very high95.3Very high152 Ų15241.7 Ų41.778%0.77922%0.215SC*.SBendtrans-89.8138.7-175.7-59.3168.4000109.4V124 C131V124-I129 HydrophobicContact CG1-CG1 4.16Å; I129-C131 VanDerWaalsContact C-N 3.32Å; I129-C131 PolarHBondContact O-N 3.14Å
130A84.9Confident95.3Very high29 Ų2942 Ų4224%0.2422%0.217CC..SBendtrans6031.5172.700000116.4I164A130-I164 HydrophobicContact CB-CG1 4.23Å
131C91.6Very high95.3Very high24 Ų2440.9 Ų40.916%0.16221%0.211CC..  trans-83.8159.6165.159.20000111.8Y127 I129 E133 L134 I164Y127-C131 WeakPolarHBondContact CB-SG 3.38Å; I129-C131 VanDerWaalsContact C-N 3.32Å; I129-C131 PolarHBondContact O-N 3.14Å; C131-E133 WeakPolarHBondContact CB-OE2 3.21Å; C131-E133 PolarHBondContact O-N 3.26Å; C131-L134 PolarHBondContact O-N 3.04Å; C131-L134 VanDerWaalsContact O-N 3.11Å; C131-L134 VanDerWaalsContact SG-CG 3.58Å; C131-I164 VanDerWaalsContact O-CG2 3.29Å; C131-I164 WeakPolarHBondContact O-CG2 3.12Å
132V92.8Very high95.4Very high34 Ų3436.6 Ų36.621%0.20619%0.192CC..G310 helixtrans-61.1-30.5-176.2173.90000112L134 V135 A168 I176V132-L134 PolarHBondContact O-N 3.38Å; V132-L134 VanDerWaalsContact O-N 3.14Å; V132-V135 VanDerWaalsContact O-CB 3.32Å; V132-V135 WeakPolarHBondContact O-CB 3.38Å; V132-V135 VanDerWaalsContact O-CG2 3.29Å; V132-V135 WeakPolarHBondContact O-CG2 3.43Å; V132-V135 PolarHBondContact O-N 3.34Å; V132-A168 HydrophobicContact CG2-CB 3.59Å; V132-I176 HydrophobicContact CG1-CD1 3.41Å; V132-I176 VanDerWaalsContact CG1-CD1 3.41Å
133E94Very high95.4Very high97 Ų9739.3 Ų39.345%0.45321%0.205SC..G310 helixtrans-60.9-22.6178-66.976.4-170.600113Y127 C131 V135 P137Y127-E133 HydrophobicContact CD1-CG 4.18Å; Y127-E133 HydrophobicContact CD2-CB 3.5Å; Y127-E133 VanDerWaalsContact CD2-CB 3.5Å; Y127-E133 HydrophobicContact CD2-CG 3.89Å; Y127-E133 HydrophobicContact CE1-CG 4.17Å; Y127-E133 HydrophobicContact CE2-CB 3.7Å; Y127-E133 HydrophobicContact CE2-CG 3.88Å; Y127-E133 HydrophobicContact CG-CB 4.01Å; Y127-E133 HydrophobicContact CG-CG 4.05Å; C131-E133 WeakPolarHBondContact CB-OE2 3.21Å; C131-E133 PolarHBondContact O-N 3.26Å; E133-V135 VanDerWaalsContact C-N 3.31Å; E133-P137 WeakPolarHBondContact O-CD 3.1Å
134L96.3Very high95.5Very high1 Ų139.3 Ų39.31%0.00521%0.205CC..G310 helixtrans-77.8-15.5176.3-52-174.9000113.2L120 A123 V124 C131 V132 S136 P137 Y138 I164L120-L134 HydrophobicContact CD1-CB 4.37Å; L120-L134 HydrophobicContact CD1-CD2 4.3Å; A123-L134 HydrophobicContact CB-CD2 3.54Å; V124-L134 HydrophobicContact CG2-CD1 3.83Å; V124-L134 HydrophobicContact CG2-CD2 3.87Å; C131-L134 PolarHBondContact O-N 3.04Å; C131-L134 VanDerWaalsContact O-N 3.11Å; C131-L134 VanDerWaalsContact SG-CG 3.58Å; V132-L134 PolarHBondContact O-N 3.38Å; V132-L134 VanDerWaalsContact O-N 3.14Å; L134-S136 VanDerWaalsContact C-N 3.33Å; L134-S136 PolarHBondContact O-N 2.87Å; L134-P137 VanDerWaalsContact O-CD 3.3Å; L134-P137 WeakPolarHBondContact O-CD 3.36Å; L134-Y138 HydrophobicContact CB-CD2 4.07Å; L134-Y138 HydrophobicContact CB-CE2 3.86Å; L134-Y138 HydrophobicContact CD1-CE2 4.47Å; L134-Y138 WeakPolarHBondContact O-CD2 3.2Å; L134-Y138 PolarHBondContact O-N 2.9Å; L134-Y138 VanDerWaalsContact O-N 3.12Å; L134-I164 HydrophobicContact CB-CD1 3.78Å; L134-I164 HydrophobicContact CD1-CD1 4.31Å
135V96.6Very high95.5Very high2 Ų236.8 Ų36.81%0.01219%0.19CC..Hα-helixtrans-58.6-47.8179.71770000110V132 E133 Y138 L139 A161 I164 V165 I176V132-V135 VanDerWaalsContact O-CB 3.32Å; V132-V135 WeakPolarHBondContact O-CB 3.38Å; V132-V135 VanDerWaalsContact O-CG2 3.29Å; V132-V135 WeakPolarHBondContact O-CG2 3.43Å; V132-V135 PolarHBondContact O-N 3.34Å; E133-V135 VanDerWaalsContact C-N 3.31Å; V135-Y138 PolarHBondContact O-N 3.21Å; V135-Y138 VanDerWaalsContact O-N 3.16Å; V135-L139 HydrophobicContact CG1-CD1 3.96Å; V135-L139 HydrophobicContact CG1-CG 4.05Å; V135-L139 VanDerWaalsContact O-CG 3.31Å; V135-L139 WeakPolarHBondContact O-CG 3.3Å; V135-L139 PolarHBondContact O-N 3.06Å; V135-A161 HydrophobicContact CG1-CB 4.29Å; V135-I164 HydrophobicContact CG2-CB 4.02Å; V135-I164 HydrophobicContact CG2-CG2 3.65Å; V135-V165 HydrophobicContact CG1-CG2 4.28Å; V135-V165 HydrophobicContact CG2-CG2 3.84Å; V135-I176 HydrophobicContact CB-CG2 4.22Å; V135-I176 HydrophobicContact CG1-CG2 3.63Å; V135-I176 HydrophobicContact CG2-CG2 4.43Å
136S96.4Very high95.7Very high25 Ų2531.4 Ų31.418%0.17517%0.171CC..Hα-helixtrans-61.2-49.3-178.2-1740000113.4Q97 L134 Y138 L139 V140Q97-S136 PolarHBondContact NE2-OG 3.22Å; L134-S136 VanDerWaalsContact C-N 3.33Å; L134-S136 PolarHBondContact O-N 2.87Å; S136-Y138 VanDerWaalsContact C-N 3.3Å; S136-Y138 PolarHBondContact O-N 2.96Å; S136-L139 PolarHBondContact O-N 2.98Å; S136-L139 VanDerWaalsContact O-N 3.16Å; S136-V140 WeakPolarHBondContact O-CG2 3.34Å; S136-V140 PolarHBondContact O-N 3.41Å
137P97.9Very high95.7Very high3 Ų332.9 Ų32.92%0.01919%0.188CC..Hα-helixtrans-52.4-43.1170.8-26.430.1000114L120 A123 E133 L134 V140 L141L120-P137 HydrophobicContact CB-CB 4.01Å; L120-P137 HydrophobicContact CD1-CB 4.11Å; A123-P137 HydrophobicContact CB-CG 4.22Å; E133-P137 WeakPolarHBondContact O-CD 3.1Å; L134-P137 VanDerWaalsContact O-CD 3.3Å; L134-P137 WeakPolarHBondContact O-CD 3.36Å; P137-V140 PolarHBondContact O-N 2.83Å; P137-L141 WeakPolarHBondContact O-CB 3.34Å; P137-L141 WeakPolarHBondContact O-CG 3.46Å; P137-L141 PolarHBondContact O-N 3.01Å
138Y98.5Very high95.7Very high31 Ų3130.6 Ų30.612%0.12218%0.183CC..Hα-helixtrans-65.7-39177.1-76.3-57.5000113L120 L134 V135 S136 L141 A142 Y157 Q160 I164L120-Y138 HydrophobicContact CD1-CD2 4.44Å; L120-Y138 HydrophobicContact CD1-CE1 4.06Å; L120-Y138 HydrophobicContact CD1-CE2 3.95Å; L120-Y138 HydrophobicContact CD2-CD1 4.28Å; L120-Y138 HydrophobicContact CD2-CE1 3.65Å; L134-Y138 HydrophobicContact CB-CD2 4.07Å; L134-Y138 HydrophobicContact CB-CE2 3.86Å; L134-Y138 HydrophobicContact CD1-CE2 4.47Å; L134-Y138 WeakPolarHBondContact O-CD2 3.2Å; L134-Y138 PolarHBondContact O-N 2.9Å; L134-Y138 VanDerWaalsContact O-N 3.12Å; V135-Y138 PolarHBondContact O-N 3.21Å; V135-Y138 VanDerWaalsContact O-N 3.16Å; S136-Y138 VanDerWaalsContact C-N 3.3Å; S136-Y138 PolarHBondContact O-N 2.96Å; Y138-L141 HydrophobicContact CD1-CD1 4.32Å; Y138-L141 PolarHBondContact O-N 3.21Å; Y138-A142 WeakPolarHBondContact O-CB 3.45Å; Y138-A142 PolarHBondContact O-N 2.81Å; Y138-Y157 AromaticContact CD1-CD1 3.86Å; Y138-Y157 HydrophobicContact CD1-CD1 3.86Å; Y138-Y157 HydrophobicContact CE1-CD1 4.17Å; Y138-Q160 HydrophobicContact CD1-CB 3.94Å; Y138-Q160 HydrophobicContact CD2-CB 4.13Å; Y138-Q160 HydrophobicContact CE1-CB 3.74Å; Y138-Q160 HydrophobicContact CE1-CG 4.06Å; Y138-Q160 HydrophobicContact CE2-CB 3.97Å; Y138-Q160 HydrophobicContact CG-CB 4.14Å; Y138-I164 HydrophobicContact CD2-CD1 4Å; Y138-I164 HydrophobicContact CE2-CD1 3.71Å
139L98.3Very high95.9Very high7 Ų731.8 Ų31.84%0.03720%0.195CC..Hα-helixtrans-65.1-40.3176.6-65.4-175.9000112V135 S136 A142 E143 L158 A161 Q179 L180 K183V135-L139 HydrophobicContact CG1-CD1 3.96Å; V135-L139 HydrophobicContact CG1-CG 4.05Å; V135-L139 VanDerWaalsContact O-CG 3.31Å; V135-L139 WeakPolarHBondContact O-CG 3.3Å; V135-L139 PolarHBondContact O-N 3.06Å; S136-L139 PolarHBondContact O-N 2.98Å; S136-L139 VanDerWaalsContact O-N 3.16Å; L139-A142 PolarHBondContact O-N 3.26Å; L139-E143 WeakPolarHBondContact O-CB 3.49Å; L139-E143 PolarHBondContact O-N 3.08Å; L139-L158 HydrophobicContact CD2-CD2 3.7Å; L139-A161 HydrophobicContact CD2-CB 4.13Å; L139-Q179 HydrophobicContact CD1-CB 3.64Å; L139-L180 HydrophobicContact CD2-CB 4.33Å; L139-L180 HydrophobicContact CD2-CD1 3.72Å; L139-K183 HydrophobicContact CB-CG 4.26Å; L139-K183 HydrophobicContact CD2-CB 4.25Å; L139-K183 HydrophobicContact CD2-CG 4.09Å
140V98.1Very high96.2Very high9 Ų928.4 Ų28.46%0.05517%0.174CC..Hα-helixtrans-66.9-42.4176176.30000110.6A100 Q101 L104 A116 S136 P137 A142 E143 S144A100-V140 HydrophobicContact CB-CG1 3.55Å; Q101-V140 HydrophobicContact CG-CG2 4.17Å; L104-V140 HydrophobicContact CD1-CB 4.43Å; L104-V140 HydrophobicContact CD1-CG1 3.66Å; A116-V140 HydrophobicContact CB-CB 4.28Å; A116-V140 HydrophobicContact CB-CG1 3.63Å; S136-V140 WeakPolarHBondContact O-CG2 3.34Å; S136-V140 PolarHBondContact O-N 3.41Å; P137-V140 PolarHBondContact O-N 2.83Å; V140-A142 PolarHBondContact O-N 3.35Å; V140-E143 PolarHBondContact O-N 3.11Å; V140-S144 PolarHBondContact O-N 3.23Å; V140-S144 PolarHBondContact O-OG 3.32Å; V140-S144 VanDerWaalsContact O-OG 3.09Å
141L98.5Very high96.8Very high0 Ų028.9 Ų28.90%017%0.173CC..Hα-helixtrans-59-45.7173.3-77.8168000112L113 A116 L117 L120 P137 Y138 S144 C145 Y157L113-L141 HydrophobicContact CD1-CD2 3.82Å; A116-L141 HydrophobicContact CB-CD2 3.61Å; A116-L141 HydrophobicContact CB-CG 3.76Å; L117-L141 HydrophobicContact CD2-CD1 4.47Å; L117-L141 HydrophobicContact CD2-CD2 3.71Å; L117-L141 HydrophobicContact CG-CD2 3.74Å; L120-L141 HydrophobicContact CB-CD1 4.28Å; L120-L141 HydrophobicContact CD2-CD1 3.77Å; P137-L141 WeakPolarHBondContact O-CB 3.34Å; P137-L141 WeakPolarHBondContact O-CG 3.46Å; P137-L141 PolarHBondContact O-N 3.01Å; Y138-L141 HydrophobicContact CD1-CD1 4.32Å; Y138-L141 PolarHBondContact O-N 3.21Å; L141-S144 PolarHBondContact O-N 2.96Å; L141-C145 PolarHBondContact O-N 3.19Å; L141-C145 PolarHBondContact O-SG 3.25Å; L141-Y157 HydrophobicContact CB-CD1 4.19Å; L141-Y157 HydrophobicContact CB-CD2 3.76Å; L141-Y157 HydrophobicContact CB-CE1 4.4Å; L141-Y157 HydrophobicContact CB-CE2 3.99Å; L141-Y157 HydrophobicContact CB-CG 3.87Å; L141-Y157 HydrophobicContact CD1-CD1 4.01Å; L141-Y157 HydrophobicContact CD1-CE1 3.82Å; L141-Y157 HydrophobicContact CD2-CE2 4.45Å
142A98.7Very high97.1Very high0 Ų033.3 Ų33.30%020%0.195CC..Hα-helixtrans-61.5-44.3177.600000111.9Y138 L139 V140 C145 I146 L158Y138-A142 WeakPolarHBondContact O-CB 3.45Å; Y138-A142 PolarHBondContact O-N 2.81Å; L139-A142 PolarHBondContact O-N 3.26Å; V140-A142 PolarHBondContact O-N 3.35Å; A142-C145 PolarHBondContact O-N 2.99Å; A142-I146 VanDerWaalsContact O-CG1 3.3Å; A142-I146 WeakPolarHBondContact O-CG1 3.44Å; A142-I146 PolarHBondContact O-N 3.14Å; A142-L158 HydrophobicContact CB-CD1 4.33Å; A142-L158 HydrophobicContact CB-CD2 3.46Å; A142-L158 VanDerWaalsContact CB-CD2 3.46Å; A142-L158 HydrophobicContact CB-CG 3.58Å
143E97.8Very high97.3Very high61 Ų6136 Ų3629%0.28521%0.205SC..Hα-helixtrans-61.8-45.3177-176.8164.3-144.500112.2L104 L139 V140 C145 I146 G147 K183L104-E143 HydrophobicContact CD1-CB 3.98Å; L104-E143 HydrophobicContact CD1-CG 3.83Å; L104-E143 HydrophobicContact CD2-CG 4.04Å; L104-E143 HydrophobicContact CG-CG 4.46Å; L139-E143 WeakPolarHBondContact O-CB 3.49Å; L139-E143 PolarHBondContact O-N 3.08Å; V140-E143 PolarHBondContact O-N 3.11Å; E143-C145 VanDerWaalsContact C-N 3.3Å; E143-C145 PolarHBondContact O-N 3.16Å; E143-I146 PolarHBondContact O-N 2.91Å; E143-G147 PolarHBondContact O-N 3.12Å; E143-K183 HydrophobicContact CB-CD 4.38Å; E143-K183 IonicContact OE1-NZ 2.69Å; E143-K183 PolarHBondContact OE1-NZ 3.49Å; E143-K183 WeakPolarHBondContact OE2-CE 3.47Å; E143-K183 IonicContact OE2-NZ 2.73Å; E143-K183 PolarHBondContact OE2-NZ 3.37Å
144S98Very high97.6Very high0 Ų031.4 Ų31.40%018%0.184CC..Hα-helixtrans-57.4-43.7172.8-60.10000111.6L104 A112 V140 L141 G147 L148L104-S144 WeakPolarHBondContact CD2-OG 3.31Å; A112-S144 WeakPolarHBondContact CB-OG 3.39Å; V140-S144 PolarHBondContact O-N 3.23Å; V140-S144 PolarHBondContact O-OG 3.32Å; V140-S144 VanDerWaalsContact O-OG 3.09Å; L141-S144 PolarHBondContact O-N 2.96Å; S144-G147 PolarHBondContact O-N 3.43Å; S144-L148 VanDerWaalsContact O-CG 3.26Å; S144-L148 WeakPolarHBondContact O-CG 3.5Å; S144-L148 PolarHBondContact O-N 3.33Å; S144-L148 VanDerWaalsContact O-N 3.12Å
145C98.3Very high97.7Very high0 Ų035 Ų350%020%0.201CC..Hα-helixtrans-66.7-37.4177.8-75.50000113L141 A142 E143 L148 G149 K150 Q153 A154L141-C145 PolarHBondContact O-N 3.19Å; L141-C145 PolarHBondContact O-SG 3.25Å; A142-C145 PolarHBondContact O-N 2.99Å; E143-C145 VanDerWaalsContact C-N 3.3Å; E143-C145 PolarHBondContact O-N 3.16Å; C145-L148 PolarHBondContact O-N 3.01Å; C145-G149 PolarHBondContact O-N 3.41Å; C145-K150 HydrophobicContact CB-CB 4.21Å; C145-K150 PolarHBondContact O-N 2.96Å; C145-Q153 HydrophobicContact CB-CB 4.41Å; C145-A154 HydrophobicContact CB-CB 3.68Å
146I98Very high97.7Very high32 Ų3238.9 Ų38.916%0.16422%0.224CC..Hα-helixtrans-62.6-47.9174.3-69.2164000109.9A142 E143 L148 G149 A154 L186 L187 A190A142-I146 VanDerWaalsContact O-CG1 3.3Å; A142-I146 WeakPolarHBondContact O-CG1 3.44Å; A142-I146 PolarHBondContact O-N 3.14Å; E143-I146 PolarHBondContact O-N 2.91Å; I146-L148 PolarHBondContact O-N 3.16Å; I146-G149 PolarHBondContact O-N 3.42Å; I146-A154 HydrophobicContact CD1-CB 4.49Å; I146-A154 HydrophobicContact CG1-CB 3.75Å; I146-L186 HydrophobicContact CD1-CB 4.13Å; I146-L187 HydrophobicContact CD1-CB 4.03Å; I146-L187 HydrophobicContact CG1-CD1 4.32Å; I146-A190 HydrophobicContact CG2-CB 4.3Å
147G95.4Very high97.8Very high52 Ų5240.1 Ų40.154%0.53623%0.225SC..Hα-helixtrans-61.3-25177.700000114E143 S144E143-G147 PolarHBondContact O-N 3.12Å; S144-G147 PolarHBondContact O-N 3.43Å
148L96.2Very high97.9Very high54 Ų5440 Ų4028%0.28323%0.225SC..THydrogen-bonded Turntrans-91.81.3174.7-65.6172.6000114.1E110 L113 S144 C145 I146 K150E110-L148 HydrophobicContact CB-CD2 3.96Å; E110-L148 HydrophobicContact CG-CD2 4.5Å; L113-L148 HydrophobicContact CD2-CD1 4.16Å; S144-L148 VanDerWaalsContact O-CG 3.26Å; S144-L148 WeakPolarHBondContact O-CG 3.5Å; S144-L148 PolarHBondContact O-N 3.33Å; S144-L148 VanDerWaalsContact O-N 3.12Å; C145-L148 PolarHBondContact O-N 3.01Å; I146-L148 PolarHBondContact O-N 3.16Å; L148-K150 HydrophobicContact CB-CD 4.17Å; L148-K150 HydrophobicContact CB-CG 4.08Å; L148-K150 HydrophobicContact CD1-CD 4.32Å; L148-K150 PolarHBondContact O-N 2.95Å
149G96.5Very high97.9Very high54 Ų5440.7 Ų40.756%0.55724%0.237SC*.THydrogen-bonded Turntrans68.610.8-174.500000114.6C145 I146 L151C145-G149 PolarHBondContact O-N 3.41Å; I146-G149 PolarHBondContact O-N 3.42Å; G149-L151 PolarHBondContact O-N 3.49Å
150K97.5Very high97.8Very high81 Ų8144.4 Ų44.435%0.35225%0.254SS..  trans-83.560.3179.5-63.2177.9-175.4170.30110.7C145 L148 N152 Q153 A154C145-K150 HydrophobicContact CB-CB 4.21Å; C145-K150 PolarHBondContact O-N 2.96Å; L148-K150 HydrophobicContact CB-CD 4.17Å; L148-K150 HydrophobicContact CB-CG 4.08Å; L148-K150 HydrophobicContact CD1-CD 4.32Å; L148-K150 PolarHBondContact O-N 2.95Å; K150-N152 VanDerWaalsContact C-N 3.33Å; K150-N152 PolarHBondContact O-N 3.35Å; K150-Q153 HydrophobicContact CB-CB 4.31Å; K150-Q153 PolarHBondContact O-N 2.94Å; K150-Q153 VanDerWaalsContact O-N 3.08Å; K150-A154 PolarHBondContact O-N 3.4Å
151L98Very high97.8Very high39 Ų3944 Ų4420%0.20425%0.251CS..Hα-helixtrans-62.3-34.8-167.6-53.8-174.4000113.7G149 Q153 A154 E155 L187 A190 K191G149-L151 PolarHBondContact O-N 3.49Å; L151-Q153 VanDerWaalsContact C-N 3.34Å; L151-Q153 PolarHBondContact O-N 2.9Å; L151-A154 PolarHBondContact O-N 3.43Å; L151-E155 WeakPolarHBondContact O-CB 3.26Å; L151-E155 PolarHBondContact O-N 3.39Å; L151-L187 HydrophobicContact CB-CD1 4.2Å; L151-L187 HydrophobicContact CD2-CD1 4.35Å; L151-A190 HydrophobicContact CD1-CB 4.29Å; L151-A190 HydrophobicContact CD2-CB 3.81Å; L151-K191 HydrophobicContact CB-CG 4.41Å; L151-K191 HydrophobicContact CD1-CG 3.76Å
152N98Very high97.7Very high118 Ų11847.7 Ų47.763%0.63127%0.269SS*.Hα-helixtrans-66.6-36.5177.3-65.1-14.2000112.1K150 T156K150-N152 VanDerWaalsContact C-N 3.33Å; K150-N152 PolarHBondContact O-N 3.35Å; N152-T156 PolarHBondContact O-N 3.38Å; N152-T156 VanDerWaalsContact O-N 3.14Å; N152-T156 PolarHBondContact O-OG1 2.96Å
153Q97.2Very high97.5Very high91 Ų9154.1 Ų54.143%0.42529%0.293SS..Hα-helixtrans-71.4-41.8176-66.6-179800110.8C145 K150 L151 E155 T156 Y157C145-Q153 HydrophobicContact CB-CB 4.41Å; K150-Q153 HydrophobicContact CB-CB 4.31Å; K150-Q153 PolarHBondContact O-N 2.94Å; K150-Q153 VanDerWaalsContact O-N 3.08Å; L151-Q153 VanDerWaalsContact C-N 3.34Å; L151-Q153 PolarHBondContact O-N 2.9Å; Q153-E155 VanDerWaalsContact C-N 3.31Å; Q153-E155 PolarHBondContact O-N 3.09Å; Q153-T156 WeakPolarHBondContact O-CB 3.22Å; Q153-T156 PolarHBondContact O-N 3.21Å; Q153-T156 VanDerWaalsContact O-N 3.13Å; Q153-Y157 HydrophobicContact CB-CE2 4.45Å; Q153-Y157 WeakPolarHBondContact O-CD2 3.09Å; Q153-Y157 PolarHBondContact O-N 2.95Å
154A98.4Very high97.4Very high0 Ų051.4 Ų51.40%028%0.281CS..Hα-helixtrans-57.2-45.2174.100000111.8C145 I146 K150 L151 T156 Y157 L158 L187C145-A154 HydrophobicContact CB-CB 3.68Å; I146-A154 HydrophobicContact CD1-CB 4.49Å; I146-A154 HydrophobicContact CG1-CB 3.75Å; K150-A154 PolarHBondContact O-N 3.4Å; L151-A154 PolarHBondContact O-N 3.43Å; A154-T156 VanDerWaalsContact C-N 3.31Å; A154-T156 PolarHBondContact O-N 3.12Å; A154-Y157 PolarHBondContact O-N 2.93Å; A154-L158 WeakPolarHBondContact O-CG 3.34Å; A154-L158 PolarHBondContact O-N 3.09Å; A154-L187 HydrophobicContact CB-CD1 3.92Å
155E98.6Very high97.2Very high77 Ų7751.8 Ų51.836%0.3628%0.283SS..Hα-helixtrans-59.6-41175.6-175.5164.3-125.700112.3L151 Q153 Y157 L158 A159 L187 K191L151-E155 WeakPolarHBondContact O-CB 3.26Å; L151-E155 PolarHBondContact O-N 3.39Å; Q153-E155 VanDerWaalsContact C-N 3.31Å; Q153-E155 PolarHBondContact O-N 3.09Å; E155-Y157 PolarHBondContact O-N 2.97Å; E155-L158 PolarHBondContact O-N 3.34Å; E155-A159 WeakPolarHBondContact O-CB 3.42Å; E155-A159 PolarHBondContact O-N 2.99Å; E155-L187 HydrophobicContact CB-CD2 3.81Å; E155-L187 HydrophobicContact CG-CD2 4.25Å; E155-K191 IonicContact OE1-NZ 2.81Å; E155-K191 PolarHBondContact OE1-NZ 2.98Å; E155-K191 IonicContact OE2-NZ 2.65Å; E155-K191 PolarHBondContact OE2-NZ 2.91Å
156T98.4Very high97Very high83 Ų8357.2 Ų57.251%0.50931%0.312SS..Hα-helixtrans-61.7-45.4176.3-55.60000111.2N152 Q153 A154 A159 Q160N152-T156 PolarHBondContact O-N 3.38Å; N152-T156 VanDerWaalsContact O-N 3.14Å; N152-T156 PolarHBondContact O-OG1 2.96Å; Q153-T156 WeakPolarHBondContact O-CB 3.22Å; Q153-T156 PolarHBondContact O-N 3.21Å; Q153-T156 VanDerWaalsContact O-N 3.13Å; A154-T156 VanDerWaalsContact C-N 3.31Å; A154-T156 PolarHBondContact O-N 3.12Å; T156-A159 PolarHBondContact O-N 3.49Å; T156-Q160 WeakPolarHBondContact O-CG 3.27Å; T156-Q160 PolarHBondContact O-N 3.35Å; T156-Q160 VanDerWaalsContact O-N 3.14Å
157Y98.5Very high96.6Very high50 Ų5060.5 Ų60.520%0.19632%0.324CS..Hα-helixtrans-67-39.8178.3-68.2-51.2000112.7Y138 L141 Q153 A154 E155 A159 Q160 A161Y138-Y157 AromaticContact CD1-CD1 3.86Å; Y138-Y157 HydrophobicContact CD1-CD1 3.86Å; Y138-Y157 HydrophobicContact CE1-CD1 4.17Å; L141-Y157 HydrophobicContact CB-CD1 4.19Å; L141-Y157 HydrophobicContact CB-CD2 3.76Å; L141-Y157 HydrophobicContact CB-CE1 4.4Å; L141-Y157 HydrophobicContact CB-CE2 3.99Å; L141-Y157 HydrophobicContact CB-CG 3.87Å; L141-Y157 HydrophobicContact CD1-CD1 4.01Å; L141-Y157 HydrophobicContact CD1-CE1 3.82Å; L141-Y157 HydrophobicContact CD2-CE2 4.45Å; Q153-Y157 HydrophobicContact CB-CE2 4.45Å; Q153-Y157 WeakPolarHBondContact O-CD2 3.09Å; Q153-Y157 PolarHBondContact O-N 2.95Å; A154-Y157 PolarHBondContact O-N 2.93Å; E155-Y157 PolarHBondContact O-N 2.97Å; Y157-A159 VanDerWaalsContact C-N 3.34Å; Y157-Q160 WeakPolarHBondContact O-CB 3.26Å; Y157-Q160 PolarHBondContact O-N 2.92Å; Y157-A161 PolarHBondContact O-N 2.98Å
158L98.5Very high96.2Very high1 Ų158.7 Ų58.71%0.00530%0.304CS..Hα-helixtrans-66.6-36.4175.4-68.1-178.4000112L139 A142 A154 E155 Q160 A161 Q162 L180 K183 L184 L187L139-L158 HydrophobicContact CD2-CD2 3.7Å; A142-L158 HydrophobicContact CB-CD1 4.33Å; A142-L158 HydrophobicContact CB-CD2 3.46Å; A142-L158 VanDerWaalsContact CB-CD2 3.46Å; A142-L158 HydrophobicContact CB-CG 3.58Å; A154-L158 WeakPolarHBondContact O-CG 3.34Å; A154-L158 PolarHBondContact O-N 3.09Å; E155-L158 PolarHBondContact O-N 3.34Å; L158-Q160 VanDerWaalsContact C-N 3.31Å; L158-Q160 PolarHBondContact O-N 3.48Å; L158-A161 PolarHBondContact O-N 3.36Å; L158-Q162 WeakPolarHBondContact O-CB 3.28Å; L158-Q162 VanDerWaalsContact O-CG 3.29Å; L158-Q162 WeakPolarHBondContact O-CG 3.47Å; L158-Q162 PolarHBondContact O-N 2.98Å; L158-L180 HydrophobicContact CD2-CD1 4.47Å; L158-K183 HydrophobicContact CD1-CB 4.28Å; L158-K183 HydrophobicContact CD2-CB 3.68Å; L158-L184 HydrophobicContact CB-CD2 4Å; L158-L184 HydrophobicContact CD1-CD2 3.85Å; L158-L184 HydrophobicContact CD1-CG 4.2Å; L158-L184 HydrophobicContact CG-CD2 4.48Å; L158-L187 HydrophobicContact CD1-CB 3.9Å; L158-L187 HydrophobicContact CD1-CD2 3.77Å; L158-L187 HydrophobicContact CD1-CG 4.44Å
159A98.2Very high95.2Very high46 Ų4662.6 Ų62.638%0.3832%0.321SS..Hα-helixtrans-61.7-39.5173.500000111.8E155 T156 Y157 Q162 W163E155-A159 WeakPolarHBondContact O-CB 3.42Å; E155-A159 PolarHBondContact O-N 2.99Å; T156-A159 PolarHBondContact O-N 3.49Å; Y157-A159 VanDerWaalsContact C-N 3.34Å; A159-Q162 PolarHBondContact O-N 3.33Å; A159-W163 WeakPolarHBondContact O-CB 3.49Å; A159-W163 PolarHBondContact O-N 3.42Å
160Q97.6Very high93.9Very high84 Ų8468.4 Ų68.439%0.39333%0.334SS..Hα-helixtrans-63-45.2173.3-64.7-63.1-34.800111.7Y138 T156 Y157 L158 W163 I164Y138-Q160 HydrophobicContact CD1-CB 3.94Å; Y138-Q160 HydrophobicContact CD2-CB 4.13Å; Y138-Q160 HydrophobicContact CE1-CB 3.74Å; Y138-Q160 HydrophobicContact CE1-CG 4.06Å; Y138-Q160 HydrophobicContact CE2-CB 3.97Å; Y138-Q160 HydrophobicContact CG-CB 4.14Å; T156-Q160 WeakPolarHBondContact O-CG 3.27Å; T156-Q160 PolarHBondContact O-N 3.35Å; T156-Q160 VanDerWaalsContact O-N 3.14Å; Y157-Q160 WeakPolarHBondContact O-CB 3.26Å; Y157-Q160 PolarHBondContact O-N 2.92Å; L158-Q160 VanDerWaalsContact C-N 3.31Å; L158-Q160 PolarHBondContact O-N 3.48Å; Q160-W163 PolarHBondContact O-N 3.21Å; Q160-I164 WeakPolarHBondContact O-CG1 2.93Å; Q160-I164 PolarHBondContact O-N 3.2Å; Q160-I164 VanDerWaalsContact O-N 3.17Å
161A97.3Very high92.9Very high0 Ų072.4 Ų72.40%035%0.354CS..Hα-helixtrans-61.6-46.2176.400000112.1V135 L139 Y157 L158 W163 I164 V165 L180V135-A161 HydrophobicContact CG1-CB 4.29Å; L139-A161 HydrophobicContact CD2-CB 4.13Å; Y157-A161 PolarHBondContact O-N 2.98Å; L158-A161 PolarHBondContact O-N 3.36Å; A161-W163 VanDerWaalsContact C-N 3.31Å; A161-W163 PolarHBondContact O-N 3.4Å; A161-I164 PolarHBondContact O-N 3.46Å; A161-V165 WeakPolarHBondContact O-CG2 3.31Å; A161-V165 PolarHBondContact O-N 2.87Å; A161-L180 HydrophobicContact CB-CD1 3.82Å
162Q96.2Very high92.3Very high79 Ų7971.2 Ų71.237%0.36935%0.348SS..Hα-helixtrans-58.4-42.9176.5-75177.1-54.600111.7L158 A159 I164 V165 L166 L180 L184L158-Q162 WeakPolarHBondContact O-CB 3.28Å; L158-Q162 VanDerWaalsContact O-CG 3.29Å; L158-Q162 WeakPolarHBondContact O-CG 3.47Å; L158-Q162 PolarHBondContact O-N 2.98Å; A159-Q162 PolarHBondContact O-N 3.33Å; Q162-I164 VanDerWaalsContact C-N 3.35Å; Q162-I164 PolarHBondContact O-N 3.2Å; Q162-V165 PolarHBondContact O-N 2.93Å; Q162-L166 WeakPolarHBondContact O-CB 3.38Å; Q162-L166 PolarHBondContact O-N 3.14Å; Q162-L180 HydrophobicContact CG-CD1 3.96Å; Q162-L180 HydrophobicContact CG-CD2 4.01Å; Q162-L180 HydrophobicContact CG-CG 4.35Å; Q162-L184 HydrophobicContact CG-CD1 4.15Å; Q162-L184 VanDerWaalsContact NE2-CD1 3.27Å
163W95.8Very high92Very high134 Ų13468 Ų6851%0.50834%0.335SS..Hα-helixtrans-62.2-41.5178.6177.4-119000112.7A159 Q160 A161 L166 K167A159-W163 WeakPolarHBondContact O-CB 3.49Å; A159-W163 PolarHBondContact O-N 3.42Å; Q160-W163 PolarHBondContact O-N 3.21Å; A161-W163 VanDerWaalsContact C-N 3.31Å; A161-W163 PolarHBondContact O-N 3.4Å; W163-L166 HydrophobicContact CE3-CD2 4.06Å; W163-L166 HydrophobicContact CZ3-CD2 4.05Å; W163-L166 PolarHBondContact O-N 3.01Å; W163-K167 HydrophobicContact CD2-CD 4.39Å; W163-K167 HydrophobicContact CD2-CG 4.33Å; W163-K167 HydrophobicContact CH2-CG 4.48Å; W163-K167 HydrophobicContact CZ2-CD 3.73Å; W163-K167 HydrophobicContact CZ2-CG 4.11Å; W163-K167 VanDerWaalsContact NE1-CE 3.29Å; W163-K167 WeakPolarHBondContact O-CG 3.38Å; W163-K167 PolarHBondContact O-N 3.48Å
164I95.1Very high91.9Very high5 Ų566 Ų663%0.02633%0.327CS..Hα-helixtrans-64.7-47.2177.2-66.4175.4000110.5A130 C131 L134 V135 Y138 Q160 A161 Q162 L166 K167 A168A130-I164 HydrophobicContact CB-CG1 4.23Å; C131-I164 VanDerWaalsContact O-CG2 3.29Å; C131-I164 WeakPolarHBondContact O-CG2 3.12Å; L134-I164 HydrophobicContact CB-CD1 3.78Å; L134-I164 HydrophobicContact CD1-CD1 4.31Å; V135-I164 HydrophobicContact CG2-CB 4.02Å; V135-I164 HydrophobicContact CG2-CG2 3.65Å; Y138-I164 HydrophobicContact CD2-CD1 4Å; Y138-I164 HydrophobicContact CE2-CD1 3.71Å; Q160-I164 WeakPolarHBondContact O-CG1 2.93Å; Q160-I164 PolarHBondContact O-N 3.2Å; Q160-I164 VanDerWaalsContact O-N 3.17Å; A161-I164 PolarHBondContact O-N 3.46Å; Q162-I164 VanDerWaalsContact C-N 3.35Å; Q162-I164 PolarHBondContact O-N 3.2Å; I164-L166 VanDerWaalsContact C-N 3.32Å; I164-L166 PolarHBondContact O-N 3.13Å; I164-K167 PolarHBondContact O-N 3.31Å; I164-A168 PolarHBondContact O-N 2.96Å
165V94.5Very high91.7Very high8 Ų866.9 Ų66.95%0.04833%0.333CS..Hα-helixtrans-60.4-42.3177.7169.70000111.4V135 A161 Q162 K167 A168 Q169 C172 I176 L180V135-V165 HydrophobicContact CG1-CG2 4.28Å; V135-V165 HydrophobicContact CG2-CG2 3.84Å; A161-V165 WeakPolarHBondContact O-CG2 3.31Å; A161-V165 PolarHBondContact O-N 2.87Å; Q162-V165 PolarHBondContact O-N 2.93Å; V165-K167 VanDerWaalsContact C-N 3.33Å; V165-K167 PolarHBondContact O-N 3.38Å; V165-A168 PolarHBondContact O-N 2.9Å; V165-Q169 PolarHBondContact O-N 3.38Å; V165-C172 HydrophobicContact CG1-CB 4.31Å; V165-I176 HydrophobicContact CG2-CG2 4.01Å; V165-L180 HydrophobicContact CB-CD2 4.15Å; V165-L180 HydrophobicContact CG1-CD2 4.26Å; V165-L180 HydrophobicContact CG2-CD2 3.97Å
166L92.8Very high91.6Very high114 Ų11464.9 Ų64.960%0.59733%0.325SS*.Hα-helixtrans-60.8-41.8176.6179.864.3000112.1Q162 W163 I164 Q169Q162-L166 WeakPolarHBondContact O-CB 3.38Å; Q162-L166 PolarHBondContact O-N 3.14Å; W163-L166 HydrophobicContact CE3-CD2 4.06Å; W163-L166 HydrophobicContact CZ3-CD2 4.05Å; W163-L166 PolarHBondContact O-N 3.01Å; I164-L166 VanDerWaalsContact C-N 3.32Å; I164-L166 PolarHBondContact O-N 3.13Å; L166-Q169 VanDerWaalsContact O-CG 3.23Å; L166-Q169 WeakPolarHBondContact O-CG 3.4Å; L166-Q169 PolarHBondContact O-N 3.45Å
167K90.6Very high91.5Very high100 Ų10062.2 Ų62.244%0.43531%0.307SS..Hα-helixtrans-71.5-32.3178.4-74.1-165.8-62.4172.90113.5W163 I164 V165 Q169W163-K167 HydrophobicContact CD2-CD 4.39Å; W163-K167 HydrophobicContact CD2-CG 4.33Å; W163-K167 HydrophobicContact CH2-CG 4.48Å; W163-K167 HydrophobicContact CZ2-CD 3.73Å; W163-K167 HydrophobicContact CZ2-CG 4.11Å; W163-K167 VanDerWaalsContact NE1-CE 3.29Å; W163-K167 WeakPolarHBondContact O-CG 3.38Å; W163-K167 PolarHBondContact O-N 3.48Å; I164-K167 PolarHBondContact O-N 3.31Å; V165-K167 VanDerWaalsContact C-N 3.33Å; V165-K167 PolarHBondContact O-N 3.38Å; K167-Q169 PolarHBondContact O-N 2.9Å
168A86.5Confident91.4Very high14 Ų1460.2 Ų60.212%0.11630%0.3CS..Hα-helixtrans-72.1-1517500000112.7V132 I164 V165 H170 E171 C172V132-A168 HydrophobicContact CG2-CB 3.59Å; I164-A168 PolarHBondContact O-N 2.96Å; V165-A168 PolarHBondContact O-N 2.9Å; A168-H170 PolarHBondContact O-N 3.49Å; A168-E171 PolarHBondContact O-N 3.32Å; A168-C172 HydrophobicContact CB-CB 4.48Å
169Q74.1Confident91.4Very high136 Ų13662.8 Ų62.864%0.63631%0.312SS*.THydrogen-bonded Turntrans43.1-95.2178.6-64-177.5-4.200113.5V165 L166 K167V165-Q169 PolarHBondContact O-N 3.38Å; L166-Q169 VanDerWaalsContact O-CG 3.23Å; L166-Q169 WeakPolarHBondContact O-CG 3.4Å; L166-Q169 PolarHBondContact O-N 3.45Å; K167-Q169 PolarHBondContact O-N 2.9Å
170H70.4Confident91.3Very high176 Ų17660.8 Ų60.882%0.81530%0.295SS*.THydrogen-bonded Turntrans-90.9-9.8-173.7-59.8-59.7000114.4A168A168-H170 PolarHBondContact O-N 3.49Å
171E75.2Confident91.4Very high166 Ų16657.9 Ų57.978%0.77628%0.281SS*.SBendtrans-86.6-9.4-179.3-61.3-178166.200112.8A168A168-E171 PolarHBondContact O-N 3.32Å
172C85.4Confident91.4Very high14 Ų1461 Ų6110%0.09529%0.293CS..SBendtrans-82.1121.7-177.2-167.40000111.2V165 A168 I176V165-C172 HydrophobicContact CG1-CB 4.31Å; A168-C172 HydrophobicContact CB-CB 4.48Å; C172-I176 VanDerWaalsContact SG-CB 3.59Å; C172-I176 WeakPolarHBondContact SG-CG2 3.21Å
173S92.9Very high91.5Very high49 Ų4957.9 Ų57.934%0.34328%0.278SS..  trans-66.6152.3178.165.90000112.6S175 I176 Q177S173-S175 PolarHBondContact O-N 3.28Å; S173-I176 PolarHBondContact O-N 3.31Å; S173-I176 WeakPolarHBondContact OG-CG1 3.32Å; S173-I176 PolarHBondContact OG-N 2.94Å; S173-Q177 PolarHBondContact O-N 3.26Å; S173-Q177 VanDerWaalsContact O-N 3.12Å
174N94.7Very high91.6Very high51 Ų5151.7 Ų51.727%0.27326%0.255SS..Hα-helixtrans-57.5-32.6174.3-69.1-37.6000111.4I176 Q177 S178 E211N174-I176 PolarHBondContact O-N 3.44Å; N174-Q177 PolarHBondContact O-N 3.27Å; N174-S178 WeakPolarHBondContact O-CB 3.46Å; N174-S178 PolarHBondContact O-N 2.95Å; N174-E211 HydrophobicContact CB-CB 3.86Å; N174-E211 WeakPolarHBondContact CB-OE2 3.43Å
175S95.3Very high91.8Very high18 Ų1851.5 Ų51.513%0.12625%0.254CS..Hα-helixtrans-56.1-45171.9-175.90000113.4S173 Q179 Y212S173-S175 PolarHBondContact O-N 3.28Å; S175-Q179 VanDerWaalsContact O-CG 3.27Å; S175-Q179 WeakPolarHBondContact O-CG 3.48Å; S175-Q179 PolarHBondContact O-N 2.97Å; S175-Q179 VanDerWaalsContact O-N 3.11Å; S175-Q179 PolarHBondContact O-NE2 3.01Å; S175-Q179 PolarHBondContact OG-NE2 3.44Å; S175-Y212 VanDerWaalsContact CB-OH 3.27Å; S175-Y212 WeakPolarHBondContact CB-OH 3.33Å; S175-Y212 PolarHBondContact OG-OH 3.37Å
176I95.3Very high92Very high34 Ų3452.7 Ų52.717%0.17426%0.26CS..Hα-helixtrans-71.8-41.8-179.7-67.1173.4000110.2V132 V135 V165 C172 S173 N174 S178 Q179 L180V132-I176 HydrophobicContact CG1-CD1 3.41Å; V132-I176 VanDerWaalsContact CG1-CD1 3.41Å; V135-I176 HydrophobicContact CB-CG2 4.22Å; V135-I176 HydrophobicContact CG1-CG2 3.63Å; V135-I176 HydrophobicContact CG2-CG2 4.43Å; V165-I176 HydrophobicContact CG2-CG2 4.01Å; C172-I176 VanDerWaalsContact SG-CB 3.59Å; C172-I176 WeakPolarHBondContact SG-CG2 3.21Å; S173-I176 PolarHBondContact O-N 3.31Å; S173-I176 WeakPolarHBondContact OG-CG1 3.32Å; S173-I176 PolarHBondContact OG-N 2.94Å; N174-I176 PolarHBondContact O-N 3.44Å; I176-S178 PolarHBondContact O-N 2.91Å; I176-Q179 PolarHBondContact O-N 2.75Å; I176-L180 WeakPolarHBondContact O-CB 3.39Å; I176-L180 PolarHBondContact O-N 3.38Å
177Q95.9Very high92.2Very high28 Ų2847.3 Ų47.313%0.13123%0.232CC..Hα-helixtrans-57-47.6175.5-68.3-72.1-700111.7S173 N174 L180 H181 Y207S173-Q177 PolarHBondContact O-N 3.26Å; S173-Q177 VanDerWaalsContact O-N 3.12Å; N174-Q177 PolarHBondContact O-N 3.27Å; Q177-L180 PolarHBondContact O-N 3.43Å; Q177-H181 WeakPolarHBondContact O-CB 3.22Å; Q177-H181 PolarHBondContact O-CD2 2.9Å; Q177-H181 VanDerWaalsContact O-CD2 3.24Å; Q177-H181 PolarHBondContact O-N 2.96Å; Q177-Y207 HydrophobicContact CB-CD1 3.89Å; Q177-Y207 HydrophobicContact CB-CD2 3.57Å; Q177-Y207 HydrophobicContact CB-CE1 4.18Å; Q177-Y207 HydrophobicContact CB-CE2 3.87Å; Q177-Y207 HydrophobicContact CB-CG 3.57Å; Q177-Y207 HydrophobicContact CG-CD1 4.35Å; Q177-Y207 HydrophobicContact CG-CE1 4.27Å; Q177-Y207 HydrophobicContact CG-CE2 4.46Å; Q177-Y207 HydrophobicContact CG-CG 4.5Å
178S97.4Very high92.6Very high7 Ų744.9 Ų44.95%0.04922%0.22CC..Hα-helixtrans-57.4-53175.1156.10000111.3N174 I176 L180 H181 R182 D204N174-S178 WeakPolarHBondContact O-CB 3.46Å; N174-S178 PolarHBondContact O-N 2.95Å; I176-S178 PolarHBondContact O-N 2.91Å; S178-L180 VanDerWaalsContact C-N 3.3Å; S178-L180 PolarHBondContact O-N 3.02Å; S178-H181 PolarHBondContact O-N 3.5Å; S178-R182 WeakPolarHBondContact O-CB 3.31Å; S178-R182 PolarHBondContact O-N 3.19Å; S178-D204 WeakPolarHBondContact CB-OD1 3.43Å; S178-D204 VanDerWaalsContact O-OD1 3.11Å; S178-D204 PolarHBondContact OG-OD1 3.4Å
179Q97Very high93.1Very high55 Ų5545.5 Ų45.526%0.25723%0.225SC..Hα-helixtrans-59.3-40.7-178.5-71.517776.300112.7L139 S175 I176 K183L139-Q179 HydrophobicContact CD1-CB 3.64Å; S175-Q179 VanDerWaalsContact O-CG 3.27Å; S175-Q179 WeakPolarHBondContact O-CG 3.48Å; S175-Q179 PolarHBondContact O-N 2.97Å; S175-Q179 VanDerWaalsContact O-N 3.11Å; S175-Q179 PolarHBondContact O-NE2 3.01Å; S175-Q179 PolarHBondContact OG-NE2 3.44Å; I176-Q179 PolarHBondContact O-N 2.75Å; Q179-K183 WeakPolarHBondContact O-CG 3.44Å; Q179-K183 PolarHBondContact O-N 3.16Å
180L97.8Very high94.2Very high5 Ų541.3 Ų41.33%0.02621%0.213CC..Hα-helixtrans-61.9-52.8176.2175.163.9000111.7L139 L158 A161 Q162 V165 I176 Q177 S178 R182 K183 L184L139-L180 HydrophobicContact CD2-CB 4.33Å; L139-L180 HydrophobicContact CD2-CD1 3.72Å; L158-L180 HydrophobicContact CD2-CD1 4.47Å; A161-L180 HydrophobicContact CB-CD1 3.82Å; Q162-L180 HydrophobicContact CG-CD1 3.96Å; Q162-L180 HydrophobicContact CG-CD2 4.01Å; Q162-L180 HydrophobicContact CG-CG 4.35Å; V165-L180 HydrophobicContact CB-CD2 4.15Å; V165-L180 HydrophobicContact CG1-CD2 4.26Å; V165-L180 HydrophobicContact CG2-CD2 3.97Å; I176-L180 WeakPolarHBondContact O-CB 3.39Å; I176-L180 PolarHBondContact O-N 3.38Å; Q177-L180 PolarHBondContact O-N 3.43Å; S178-L180 VanDerWaalsContact C-N 3.3Å; S178-L180 PolarHBondContact O-N 3.02Å; L180-R182 VanDerWaalsContact C-N 3.28Å; L180-R182 PolarHBondContact O-N 2.87Å; L180-K183 PolarHBondContact O-N 3.02Å; L180-K183 VanDerWaalsContact O-N 3.14Å; L180-L184 HydrophobicContact CD1-CD1 4.3Å; L180-L184 HydrophobicContact CG-CD1 4.07Å; L180-L184 PolarHBondContact O-N 3.47Å
181H98.3Very high95.5Very high22 Ų2236.2 Ų36.210%0.10219%0.189CC..Hα-helixtrans-63.9-34.5-178.7-82.6-57.9000112.9Q177 S178 K183 L184 G185 C200 K203 D204 Y207Q177-H181 WeakPolarHBondContact O-CB 3.22Å; Q177-H181 PolarHBondContact O-CD2 2.9Å; Q177-H181 VanDerWaalsContact O-CD2 3.24Å; Q177-H181 PolarHBondContact O-N 2.96Å; S178-H181 PolarHBondContact O-N 3.5Å; H181-K183 PolarHBondContact O-N 2.67Å; H181-L184 PolarHBondContact O-N 2.99Å; H181-G185 PolarHBondContact O-N 2.96Å; H181-C200 WeakPolarHBondContact CB-O 3.38Å; H181-K203 HydrophobicContact CB-CB 4.11Å; H181-K203 VanDerWaalsContact CE1-CD 3.43Å; H181-K203 WeakPolarHBondContact CE1-CD 3.39Å; H181-D204 HydrophobicContact CB-CB 4.07Å; H181-Y207 AromaticContact CD2-CD2 3.82Å; H181-Y207 AromaticContact CD2-CE2 3.62Å; H181-Y207 AromaticContact NE2-CE2 3.84Å
182R98.2Very high96.4Very high67 Ų6732.3 Ų32.325%0.25318%0.179SC..Hα-helixtrans-59-48172-168.4167.152.7165.1-2111.6S178 L180 G185 L186 D204S178-R182 WeakPolarHBondContact O-CB 3.31Å; S178-R182 PolarHBondContact O-N 3.19Å; L180-R182 VanDerWaalsContact C-N 3.28Å; L180-R182 PolarHBondContact O-N 2.87Å; R182-G185 PolarHBondContact O-N 3.43Å; R182-L186 WeakPolarHBondContact O-CG 3.36Å; R182-L186 PolarHBondContact O-N 2.98Å; R182-D204 HydrophobicContact CB-CB 4.22Å; R182-D204 VanDerWaalsContact CB-OD2 3.28Å; R182-D204 WeakPolarHBondContact CB-OD2 3.42Å; R182-D204 WeakPolarHBondContact CD-OD2 3.24Å; R182-D204 VanDerWaalsContact CG-OD2 3.32Å; R182-D204 WeakPolarHBondContact CG-OD2 3.22Å
183K98.4Very high97Very high13 Ų1334.5 Ų34.56%0.05719%0.19CC..Hα-helixtrans-68.6-34.8179.5-61.3-43.4-177.1-165.70112.7L139 E143 L158 Q179 L180 H181 G185 L186 L187L139-K183 HydrophobicContact CB-CG 4.26Å; L139-K183 HydrophobicContact CD2-CB 4.25Å; L139-K183 HydrophobicContact CD2-CG 4.09Å; E143-K183 HydrophobicContact CB-CD 4.38Å; E143-K183 IonicContact OE1-NZ 2.69Å; E143-K183 PolarHBondContact OE1-NZ 3.49Å; E143-K183 WeakPolarHBondContact OE2-CE 3.47Å; E143-K183 IonicContact OE2-NZ 2.73Å; E143-K183 PolarHBondContact OE2-NZ 3.37Å; L158-K183 HydrophobicContact CD1-CB 4.28Å; L158-K183 HydrophobicContact CD2-CB 3.68Å; Q179-K183 WeakPolarHBondContact O-CG 3.44Å; Q179-K183 PolarHBondContact O-N 3.16Å; L180-K183 PolarHBondContact O-N 3.02Å; L180-K183 VanDerWaalsContact O-N 3.14Å; H181-K183 PolarHBondContact O-N 2.67Å; K183-G185 VanDerWaalsContact C-N 3.35Å; K183-L186 HydrophobicContact CD-CD1 3.92Å; K183-L186 PolarHBondContact O-N 2.74Å; K183-L187 PolarHBondContact O-N 3.49Å
184L98.6Very high97.2Very high4 Ų434.5 Ų34.52%0.02118%0.183CC..Hα-helixtrans-61.6-43.7170.6-72.6164.1000111.5L158 Q162 L180 H181 L186 L187 Y188 C200L158-L184 HydrophobicContact CB-CD2 4Å; L158-L184 HydrophobicContact CD1-CD2 3.85Å; L158-L184 HydrophobicContact CD1-CG 4.2Å; L158-L184 HydrophobicContact CG-CD2 4.48Å; Q162-L184 HydrophobicContact CG-CD1 4.15Å; Q162-L184 VanDerWaalsContact NE2-CD1 3.27Å; L180-L184 HydrophobicContact CD1-CD1 4.3Å; L180-L184 HydrophobicContact CG-CD1 4.07Å; L180-L184 PolarHBondContact O-N 3.47Å; H181-L184 PolarHBondContact O-N 2.99Å; L184-L186 PolarHBondContact O-N 3.24Å; L184-L187 PolarHBondContact O-N 3.47Å; L184-Y188 HydrophobicContact CB-CE2 4.45Å; L184-Y188 HydrophobicContact CD2-CE2 4.44Å; L184-Y188 WeakPolarHBondContact O-CD2 3.33Å; L184-Y188 PolarHBondContact O-N 2.92Å; L184-C200 HydrophobicContact CB-CB 4.08Å
185G98.4Very high97.3Very high0 Ų038.1 Ų38.10%020%0.198CC..Hα-helixtrans-57-48.3174.200000112.4H181 R182 K183 L187 Y188 A189 A197H181-G185 PolarHBondContact O-N 2.96Å; R182-G185 PolarHBondContact O-N 3.43Å; K183-G185 VanDerWaalsContact C-N 3.35Å; G185-L187 PolarHBondContact O-N 2.94Å; G185-Y188 PolarHBondContact O-N 3Å; G185-A189 WeakPolarHBondContact O-CB 3.37Å; G185-A189 PolarHBondContact O-N 3.5Å; G185-A197 WeakPolarHBondContact O-CB 3.38Å
186L98.1Very high97.4Very high33 Ų3340.1 Ų40.117%0.17321%0.207CC..Hα-helixtrans-60.6-42.5175.7-67178.7000112.7I146 R182 K183 L184 A189 A190 Q225I146-L186 HydrophobicContact CD1-CB 4.13Å; R182-L186 WeakPolarHBondContact O-CG 3.36Å; R182-L186 PolarHBondContact O-N 2.98Å; K183-L186 HydrophobicContact CD-CD1 3.92Å; K183-L186 PolarHBondContact O-N 2.74Å; L184-L186 PolarHBondContact O-N 3.24Å; L186-A189 PolarHBondContact O-N 3.41Å; L186-A190 WeakPolarHBondContact O-CB 3.45Å; L186-A190 PolarHBondContact O-N 2.6Å; L186-Q225 HydrophobicContact CD2-CG 4.19Å
187L98.5Very high97.5Very high2 Ų238.5 Ų38.51%0.0120%0.199CC..Hα-helixtrans-61.2-49.6177.317564.5000111.2I146 L151 A154 E155 L158 K183 L184 G185 A189 A190 K191I146-L187 HydrophobicContact CD1-CB 4.03Å; I146-L187 HydrophobicContact CG1-CD1 4.32Å; L151-L187 HydrophobicContact CB-CD1 4.2Å; L151-L187 HydrophobicContact CD2-CD1 4.35Å; A154-L187 HydrophobicContact CB-CD1 3.92Å; E155-L187 HydrophobicContact CB-CD2 3.81Å; E155-L187 HydrophobicContact CG-CD2 4.25Å; L158-L187 HydrophobicContact CD1-CB 3.9Å; L158-L187 HydrophobicContact CD1-CD2 3.77Å; L158-L187 HydrophobicContact CD1-CG 4.44Å; K183-L187 PolarHBondContact O-N 3.49Å; L184-L187 PolarHBondContact O-N 3.47Å; G185-L187 PolarHBondContact O-N 2.94Å; L187-A189 VanDerWaalsContact C-N 3.34Å; L187-A190 PolarHBondContact O-N 3.18Å; L187-K191 WeakPolarHBondContact O-CG 3.3Å; L187-K191 PolarHBondContact O-N 2.94Å
188Y98.6Very high97.7Very high49 Ų4937.6 Ų37.619%0.19220%0.195CC..Hα-helixtrans-67.9-35.4-178.6-70.9-53.8000112.2L184 G185 K191 C192 N193 L196L184-Y188 HydrophobicContact CB-CE2 4.45Å; L184-Y188 HydrophobicContact CD2-CE2 4.44Å; L184-Y188 WeakPolarHBondContact O-CD2 3.33Å; L184-Y188 PolarHBondContact O-N 2.92Å; G185-Y188 PolarHBondContact O-N 3Å; Y188-K191 CarbonylContact O-C 3.5Å; Y188-K191 PolarHBondContact O-N 2.95Å; Y188-C192 PolarHBondContact O-N 3.38Å; Y188-N193 HydrophobicContact CD1-CB 4.48Å; Y188-N193 PolarHBondContact O-N 3.47Å; Y188-L196 HydrophobicContact CD1-CB 4.13Å; Y188-L196 HydrophobicContact CD1-CD1 4.12Å; Y188-L196 HydrophobicContact CD2-CB 3.84Å; Y188-L196 HydrophobicContact CE1-CD1 3.86Å; Y188-L196 HydrophobicContact CE2-CB 4.23Å; Y188-L196 HydrophobicContact CG-CB 3.8Å
189A97.3Very high97.7Very high26 Ų2642.8 Ų42.822%0.21522%0.218CC..Hα-helixtrans-61-45171.600000111.5G185 L186 L187 K191 C192 A197 V229G185-A189 WeakPolarHBondContact O-CB 3.37Å; G185-A189 PolarHBondContact O-N 3.5Å; L186-A189 PolarHBondContact O-N 3.41Å; L187-A189 VanDerWaalsContact C-N 3.34Å; A189-K191 VanDerWaalsContact C-N 3.26Å; A189-K191 PolarHBondContact O-N 3.47Å; A189-C192 WeakPolarHBondContact O-CA 3.42Å; A189-C192 PolarHBondContact O-N 2.71Å; A189-A197 HydrophobicContact CB-CB 4.07Å; A189-V229 HydrophobicContact CB-CG2 3.81Å
190A96.5Very high97.8Very high48 Ų4840.8 Ų40.840%0.39721%0.21SC..Hα-helixtrans-65.3-27.317600000113.2I146 L151 L186 L187 C192I146-A190 HydrophobicContact CG2-CB 4.3Å; L151-A190 HydrophobicContact CD1-CB 4.29Å; L151-A190 HydrophobicContact CD2-CB 3.81Å; L186-A190 WeakPolarHBondContact O-CB 3.45Å; L186-A190 PolarHBondContact O-N 2.6Å; L187-A190 PolarHBondContact O-N 3.18Å; A190-C192 VanDerWaalsContact C-N 3.26Å
191K96.9Very high97.8Very high70 Ų7040.6 Ų40.630%0.30421%0.209SC..THydrogen-bonded Turntrans-82.13171.2-71.2-175.2172.5-168.80113.6L151 E155 L187 Y188 A189 N193L151-K191 HydrophobicContact CB-CG 4.41Å; L151-K191 HydrophobicContact CD1-CG 3.76Å; E155-K191 IonicContact OE1-NZ 2.81Å; E155-K191 PolarHBondContact OE1-NZ 2.98Å; E155-K191 IonicContact OE2-NZ 2.65Å; E155-K191 PolarHBondContact OE2-NZ 2.91Å; L187-K191 WeakPolarHBondContact O-CG 3.3Å; L187-K191 PolarHBondContact O-N 2.94Å; Y188-K191 CarbonylContact O-C 3.5Å; Y188-K191 PolarHBondContact O-N 2.95Å; A189-K191 VanDerWaalsContact C-N 3.26Å; A189-K191 PolarHBondContact O-N 3.47Å; K191-N193 PolarHBondContact O-N 3.47Å
192C95.6Very high97.8Very high83 Ų8340 Ų4056%0.56121%0.208SC*.THydrogen-bonded Turntrans58.819.1-173-560000114.4Y188 A189 A190 Y194Y188-C192 PolarHBondContact O-N 3.38Å; A189-C192 WeakPolarHBondContact O-CA 3.42Å; A189-C192 PolarHBondContact O-N 2.71Å; A190-C192 VanDerWaalsContact C-N 3.26Å; C192-Y194 HydrophobicContact CB-CE2 4.41Å; C192-Y194 PolarHBondContact O-N 3.42Å
193N96.5Very high97.8Very high60 Ų6041.6 Ų41.632%0.32122%0.217SC..  trans-91.176.9172.1-170.1-24.8000108.9Y188 K191 E195 L196 A197Y188-N193 HydrophobicContact CD1-CB 4.48Å; Y188-N193 PolarHBondContact O-N 3.47Å; K191-N193 PolarHBondContact O-N 3.47Å; N193-E195 VanDerWaalsContact C-N 3.29Å; N193-E195 PolarHBondContact O-N 3.11Å; N193-L196 VanDerWaalsContact ND2-CD1 3.28Å; N193-L196 WeakPolarHBondContact ND2-CD1 3.34Å; N193-L196 PolarHBondContact OD1-N 2.87Å; N193-A197 WeakPolarHBondContact O-CB 3.49Å; N193-A197 PolarHBondContact O-N 2.99Å
194Y97.4Very high97.8Very high50 Ų5041 Ų4120%0.19622%0.215CC..Hα-helixtrans-67.3-29.6-171.5-56-57.1000113.4C192 A197 L198 V229 A232 M233 A236C192-Y194 HydrophobicContact CB-CE2 4.41Å; C192-Y194 PolarHBondContact O-N 3.42Å; Y194-A197 PolarHBondContact O-N 3.18Å; Y194-L198 WeakPolarHBondContact O-CG 3.48Å; Y194-L198 PolarHBondContact O-N 3.46Å; Y194-V229 HydrophobicContact CD1-CG1 3.99Å; Y194-V229 HydrophobicContact CG-CG1 4.43Å; Y194-A232 HydrophobicContact CE1-CB 3.73Å; Y194-M233 HydrophobicContact CD1-CG 4.06Å; Y194-M233 HydrophobicContact CD2-CG 3.55Å; Y194-M233 HydrophobicContact CE2-CG 4.23Å; Y194-M233 HydrophobicContact CG-CG 3.43Å; Y194-M233 VanDerWaalsContact CG-CG 3.43Å; Y194-M233 HydrophobicContact CG-SD 4.29Å; Y194-A236 HydrophobicContact CE2-CB 4.3Å
195E97Very high97.8Very high126 Ų12641.4 Ų41.459%0.58922%0.216SC*.Hα-helixtrans-63.7-54.5178.2-67.7159.3-176.800110.6N193 A197 L198 E199N193-E195 VanDerWaalsContact C-N 3.29Å; N193-E195 PolarHBondContact O-N 3.11Å; E195-A197 VanDerWaalsContact C-N 3.26Å; E195-A197 PolarHBondContact O-N 3.37Å; E195-L198 PolarHBondContact O-N 3.45Å; E195-E199 PolarHBondContact O-N 2.89Å; E195-E199 VanDerWaalsContact O-N 3.08Å
196L97.7Very high97.8Very high61 Ų6144.9 Ų44.932%0.31923%0.232SC..Hα-helixtrans-65.2-31.5175.9-67-174.4000112.5Y188 N193 E199 C200Y188-L196 HydrophobicContact CD1-CB 4.13Å; Y188-L196 HydrophobicContact CD1-CD1 4.12Å; Y188-L196 HydrophobicContact CD2-CB 3.84Å; Y188-L196 HydrophobicContact CE1-CD1 3.86Å; Y188-L196 HydrophobicContact CE2-CB 4.23Å; Y188-L196 HydrophobicContact CG-CB 3.8Å; N193-L196 VanDerWaalsContact ND2-CD1 3.28Å; N193-L196 WeakPolarHBondContact ND2-CD1 3.34Å; N193-L196 PolarHBondContact OD1-N 2.87Å; L196-E199 PolarHBondContact O-N 3.02Å; L196-C200 WeakPolarHBondContact O-CB 3.28Å; L196-C200 PolarHBondContact O-N 2.98Å; L196-C200 PolarHBondContact O-SG 3.47Å
197A98.2Very high97.8Very high0 Ų046.1 Ų46.10%023%0.234CC..Hα-helixtrans-62-49.5175.200000111.2G185 A189 N193 Y194 E195 E199 C200 L201 V229G185-A197 WeakPolarHBondContact O-CB 3.38Å; A189-A197 HydrophobicContact CB-CB 4.07Å; N193-A197 WeakPolarHBondContact O-CB 3.49Å; N193-A197 PolarHBondContact O-N 2.99Å; Y194-A197 PolarHBondContact O-N 3.18Å; E195-A197 VanDerWaalsContact C-N 3.26Å; E195-A197 PolarHBondContact O-N 3.37Å; A197-E199 PolarHBondContact O-N 3.2Å; A197-C200 PolarHBondContact O-N 3.47Å; A197-L201 WeakPolarHBondContact O-CB 3.34Å; A197-L201 VanDerWaalsContact O-CG 3.26Å; A197-L201 WeakPolarHBondContact O-CG 3.4Å; A197-L201 PolarHBondContact O-N 3.06Å; A197-V229 HydrophobicContact CB-CG1 4.32Å; A197-V229 HydrophobicContact CB-CG2 4.18Å
198L98.6Very high97.8Very high9 Ų946 Ų465%0.04723%0.234CC..Hα-helixtrans-63-40.4177.9-71.1173.8000112Y194 E195 C200 L201 A202 M226 V229 F230 M233Y194-L198 WeakPolarHBondContact O-CG 3.48Å; Y194-L198 PolarHBondContact O-N 3.46Å; E195-L198 PolarHBondContact O-N 3.45Å; L198-C200 VanDerWaalsContact C-N 3.33Å; L198-C200 PolarHBondContact O-N 3.49Å; L198-L201 PolarHBondContact O-N 3.31Å; L198-A202 VanDerWaalsContact O-CB 3.24Å; L198-A202 WeakPolarHBondContact O-CB 3.33Å; L198-A202 PolarHBondContact O-N 2.97Å; L198-M226 HydrophobicContact CD2-CE 3.76Å; L198-M226 HydrophobicContact CD2-CG 4.49Å; L198-V229 HydrophobicContact CD1-CG1 4.46Å; L198-V229 HydrophobicContact CD2-CB 4.08Å; L198-V229 HydrophobicContact CD2-CG1 3.75Å; L198-V229 HydrophobicContact CG-CG1 3.77Å; L198-F230 HydrophobicContact CD1-CD1 4.36Å; L198-F230 HydrophobicContact CD1-CE1 3.75Å; L198-F230 HydrophobicContact CD1-CZ 4.07Å; L198-F230 HydrophobicContact CD2-CD2 4.34Å; L198-F230 HydrophobicContact CD2-CE1 4.18Å; L198-F230 HydrophobicContact CD2-CE2 3.97Å; L198-F230 HydrophobicContact CD2-CZ 3.88Å; L198-M233 HydrophobicContact CD1-CE 4.45Å; L198-M233 HydrophobicContact CD1-SD 3.86Å
199E98.5Very high97.8Very high115 Ų11544.8 Ų44.854%0.53723%0.232SC..Hα-helixtrans-61.3-40.2175-73.2-173-176.600112.8E195 L196 A197 K203E195-E199 PolarHBondContact O-N 2.89Å; E195-E199 VanDerWaalsContact O-N 3.08Å; L196-E199 PolarHBondContact O-N 3.02Å; A197-E199 PolarHBondContact O-N 3.2Å; E199-K203 WeakPolarHBondContact O-CG 3.25Å; E199-K203 PolarHBondContact O-N 2.9Å
200C98.4Very high97.8Very high13 Ų1348.3 Ų48.39%0.08825%0.247CC..Hα-helixtrans-70.6-44.4177.3-69.40000111.5H181 L184 L196 A197 L198 A202 K203 D204H181-C200 WeakPolarHBondContact CB-O 3.38Å; L184-C200 HydrophobicContact CB-CB 4.08Å; L196-C200 WeakPolarHBondContact O-CB 3.28Å; L196-C200 PolarHBondContact O-N 2.98Å; L196-C200 PolarHBondContact O-SG 3.47Å; A197-C200 PolarHBondContact O-N 3.47Å; L198-C200 VanDerWaalsContact C-N 3.33Å; L198-C200 PolarHBondContact O-N 3.49Å; C200-A202 VanDerWaalsContact C-N 3.3Å; C200-A202 PolarHBondContact O-N 3.39Å; C200-K203 WeakPolarHBondContact O-CB 3.2Å; C200-K203 PolarHBondContact O-N 3.24Å; C200-K203 VanDerWaalsContact O-N 3.12Å; C200-D204 PolarHBondContact O-N 3.13Å
201L98.5Very high97.8Very high1 Ų150 Ų501%0.00525%0.247CC..Hα-helixtrans-67.3-31.5179.6-67.4172.2000112.7A197 L198 D204 I205 Q225 M226 V229A197-L201 WeakPolarHBondContact O-CB 3.34Å; A197-L201 VanDerWaalsContact O-CG 3.26Å; A197-L201 WeakPolarHBondContact O-CG 3.4Å; A197-L201 PolarHBondContact O-N 3.06Å; L198-L201 PolarHBondContact O-N 3.31Å; L201-D204 WeakPolarHBondContact O-CB 3.19Å; L201-D204 PolarHBondContact O-N 3.29Å; L201-I205 WeakPolarHBondContact O-CG1 3.36Å; L201-I205 PolarHBondContact O-N 3.48Å; L201-Q225 HydrophobicContact CD1-CB 3.99Å; L201-Q225 HydrophobicContact CD2-CB 3.67Å; L201-Q225 HydrophobicContact CD2-CG 4.49Å; L201-Q225 HydrophobicContact CG-CB 4.47Å; L201-M226 HydrophobicContact CB-CG 3.48Å; L201-M226 VanDerWaalsContact CB-CG 3.48Å; L201-M226 HydrophobicContact CB-SD 4.36Å; L201-M226 HydrophobicContact CD1-CG 4.02Å; L201-M226 HydrophobicContact CG-CG 4.37Å; L201-V229 HydrophobicContact CD1-CG2 3.71Å
202A98.6Very high97.9Very high11 Ų1149.2 Ų49.29%0.09124%0.242CC..Hα-helixtrans-58.6-45.1168.700000112.8L198 C200 I205 F206 L259L198-A202 VanDerWaalsContact O-CB 3.24Å; L198-A202 WeakPolarHBondContact O-CB 3.33Å; L198-A202 PolarHBondContact O-N 2.97Å; C200-A202 VanDerWaalsContact C-N 3.3Å; C200-A202 PolarHBondContact O-N 3.39Å; A202-I205 PolarHBondContact O-N 3.01Å; A202-F206 PolarHBondContact O-N 2.94Å; A202-L259 HydrophobicContact CB-CD1 4.2Å; A202-L259 HydrophobicContact CB-CD2 3.19Å; A202-L259 HydrophobicContact CB-CG 4.32Å
203K98.2Very high98Very high100 Ų10046.7 Ų46.744%0.43523%0.23SC..Hα-helixtrans-65.9-39.4175.9-68.8174.3-175.6172.70111.4H181 E199 C200 F206 Y207H181-K203 HydrophobicContact CB-CB 4.11Å; H181-K203 VanDerWaalsContact CE1-CD 3.43Å; H181-K203 WeakPolarHBondContact CE1-CD 3.39Å; E199-K203 WeakPolarHBondContact O-CG 3.25Å; E199-K203 PolarHBondContact O-N 2.9Å; C200-K203 WeakPolarHBondContact O-CB 3.2Å; C200-K203 PolarHBondContact O-N 3.24Å; C200-K203 VanDerWaalsContact O-N 3.12Å; K203-F206 PolarHBondContact O-N 2.94Å; K203-Y207 HydrophobicContact CB-CD2 4.43Å; K203-Y207 HydrophobicContact CB-CE2 4.33Å; K203-Y207 WeakPolarHBondContact O-CD2 3.47Å; K203-Y207 PolarHBondContact O-N 2.78Å
204D98.3Very high98Very high1 Ų147.4 Ų47.41%0.00524%0.237CC..Hα-helixtrans-53.6-54.8172.4173.129.2000111.1S178 H181 R182 C200 L201 F206 Y207 A208S178-D204 WeakPolarHBondContact CB-OD1 3.43Å; S178-D204 VanDerWaalsContact O-OD1 3.11Å; S178-D204 PolarHBondContact OG-OD1 3.4Å; H181-D204 HydrophobicContact CB-CB 4.07Å; R182-D204 HydrophobicContact CB-CB 4.22Å; R182-D204 VanDerWaalsContact CB-OD2 3.28Å; R182-D204 WeakPolarHBondContact CB-OD2 3.42Å; R182-D204 WeakPolarHBondContact CD-OD2 3.24Å; R182-D204 VanDerWaalsContact CG-OD2 3.32Å; R182-D204 WeakPolarHBondContact CG-OD2 3.22Å; C200-D204 PolarHBondContact O-N 3.13Å; L201-D204 WeakPolarHBondContact O-CB 3.19Å; L201-D204 PolarHBondContact O-N 3.29Å; D204-F206 VanDerWaalsContact C-N 3.33Å; D204-F206 PolarHBondContact O-N 3.23Å; D204-Y207 PolarHBondContact O-N 3.39Å; D204-A208 VanDerWaalsContact O-CB 3.25Å; D204-A208 WeakPolarHBondContact O-CB 3.41Å; D204-A208 PolarHBondContact O-N 2.87Å
205I98.6Very high97.9Very high11 Ų1152.6 Ų52.66%0.05627%0.268CS..Hα-helixtrans-60-41.9179.2-69.5160.8000111.8L201 A202 A208 S209 T219 Y223 M226L201-I205 WeakPolarHBondContact O-CG1 3.36Å; L201-I205 PolarHBondContact O-N 3.48Å; A202-I205 PolarHBondContact O-N 3.01Å; I205-A208 PolarHBondContact O-N 3.12Å; I205-S209 VanDerWaalsContact O-CB 3.24Å; I205-S209 WeakPolarHBondContact O-CB 2.94Å; I205-S209 PolarHBondContact O-N 3.18Å; I205-S209 PolarHBondContact O-OG 3.4Å; I205-T219 HydrophobicContact CG2-CG2 4.35Å; I205-Y223 HydrophobicContact CB-CE1 4.48Å; I205-Y223 HydrophobicContact CD1-CD1 3.61Å; I205-Y223 HydrophobicContact CD1-CE1 3.92Å; I205-Y223 HydrophobicContact CG1-CD1 4.07Å; I205-Y223 HydrophobicContact CG1-CE1 4.15Å; I205-Y223 HydrophobicContact CG2-CD1 4.28Å; I205-Y223 HydrophobicContact CG2-CE1 3.5Å; I205-M226 HydrophobicContact CD1-CG 3.85Å; I205-M226 HydrophobicContact CD1-SD 3.18Å; I205-M226 WeakPolarHBondContact CD1-SD 3.45Å
206F98.5Very high97.9Very high73 Ų7349.8 Ų49.832%0.3226%0.255SS..Hα-helixtrans-58-54.6177.2172.9-95.5000111.4A202 K203 D204 A208 S209 L210 F263A202-F206 PolarHBondContact O-N 2.94Å; K203-F206 PolarHBondContact O-N 2.94Å; D204-F206 VanDerWaalsContact C-N 3.33Å; D204-F206 PolarHBondContact O-N 3.23Å; F206-A208 PolarHBondContact O-N 3.07Å; F206-S209 PolarHBondContact O-N 2.88Å; F206-L210 HydrophobicContact CD1-CD1 4.11Å; F206-L210 HydrophobicContact CE1-CD1 3.47Å; F206-L210 VanDerWaalsContact CE1-CD1 3.47Å; F206-L210 HydrophobicContact CE1-CG 4.36Å; F206-L210 HydrophobicContact CE2-CD1 4.41Å; F206-L210 HydrophobicContact CZ-CD1 3.64Å; F206-L210 HydrophobicContact CZ-CG 4.33Å; F206-L210 WeakPolarHBondContact O-CG 3.32Å; F206-L210 PolarHBondContact O-N 2.65Å; F206-F263 HydrophobicContact CB-CE1 3.93Å; F206-F263 HydrophobicContact CB-CZ 4.12Å; F206-F263 AromaticContact CD2-CD1 3.79Å; F206-F263 HydrophobicContact CD2-CD1 3.79Å; F206-F263 AromaticContact CD2-CE1 3.47Å; F206-F263 HydrophobicContact CD2-CE1 3.47Å; F206-F263 VanDerWaalsContact CD2-CE1 3.47Å; F206-F263 HydrophobicContact CD2-CZ 4.29Å; F206-F263 HydrophobicContact CE2-CD1 4.39Å; F206-F263 HydrophobicContact CE2-CE1 4.47Å; F206-F263 HydrophobicContact CG-CE1 4.18Å
207Y97.6Very high97.9Very high59 Ų5953.5 Ų53.523%0.23127%0.274CS..Hα-helixtrans-67.9-37.3-179.4-69.2-61.9000112.7Q177 H181 K203 D204 S209 L210 E211Q177-Y207 HydrophobicContact CB-CD1 3.89Å; Q177-Y207 HydrophobicContact CB-CD2 3.57Å; Q177-Y207 HydrophobicContact CB-CE1 4.18Å; Q177-Y207 HydrophobicContact CB-CE2 3.87Å; Q177-Y207 HydrophobicContact CB-CG 3.57Å; Q177-Y207 HydrophobicContact CG-CD1 4.35Å; Q177-Y207 HydrophobicContact CG-CE1 4.27Å; Q177-Y207 HydrophobicContact CG-CE2 4.46Å; Q177-Y207 HydrophobicContact CG-CG 4.5Å; H181-Y207 AromaticContact CD2-CD2 3.82Å; H181-Y207 AromaticContact CD2-CE2 3.62Å; H181-Y207 AromaticContact NE2-CE2 3.84Å; K203-Y207 HydrophobicContact CB-CD2 4.43Å; K203-Y207 HydrophobicContact CB-CE2 4.33Å; K203-Y207 WeakPolarHBondContact O-CD2 3.47Å; K203-Y207 PolarHBondContact O-N 2.78Å; D204-Y207 PolarHBondContact O-N 3.39Å; Y207-S209 VanDerWaalsContact C-N 3.29Å; Y207-S209 PolarHBondContact O-N 2.89Å; Y207-L210 HydrophobicContact CD1-CD1 4.38Å; Y207-L210 PolarHBondContact O-N 3.11Å; Y207-E211 PolarHBondContact O-N 2.78Å; Y207-E211 VanDerWaalsContact O-N 3.07Å
208A98.1Very high97.7Very high0 Ų060 Ų600%030%0.298CS..Hα-helixtrans-62.8-38.1174.800000111.6D204 I205 F206 E211 Y212 T219D204-A208 VanDerWaalsContact O-CB 3.25Å; D204-A208 WeakPolarHBondContact O-CB 3.41Å; D204-A208 PolarHBondContact O-N 2.87Å; I205-A208 PolarHBondContact O-N 3.12Å; F206-A208 PolarHBondContact O-N 3.07Å; A208-E211 PolarHBondContact O-N 2.91Å; A208-Y212 WeakPolarHBondContact O-CB 3.25Å; A208-Y212 PolarHBondContact O-N 3.41Å; A208-T219 HydrophobicContact CB-CG2 4.16Å; A208-T219 PolarHBondContact O-OG1 2.88Å
209S98.3Very high97.6Very high23 Ų2359.6 Ų59.616%0.16130%0.296CS..Hα-helixtrans-67.9-38.2176.7-58.20000112.1I205 F206 Y207 E211 G213 T219I205-S209 VanDerWaalsContact O-CB 3.24Å; I205-S209 WeakPolarHBondContact O-CB 2.94Å; I205-S209 PolarHBondContact O-N 3.18Å; I205-S209 PolarHBondContact O-OG 3.4Å; F206-S209 PolarHBondContact O-N 2.88Å; Y207-S209 VanDerWaalsContact C-N 3.29Å; Y207-S209 PolarHBondContact O-N 2.89Å; S209-E211 VanDerWaalsContact C-N 3.34Å; S209-G213 WeakPolarHBondContact O-CA 2.85Å; S209-G213 PolarHBondContact O-N 3.49Å; S209-T219 WeakPolarHBondContact OG-CG2 3.45Å
210L97.6Very high97.5Very high100 Ų10056.2 Ų56.252%0.52429%0.288SS..Hα-helixtrans-65-37.1174.3-69.5179.4000112.7F206 Y207F206-L210 HydrophobicContact CD1-CD1 4.11Å; F206-L210 HydrophobicContact CE1-CD1 3.47Å; F206-L210 VanDerWaalsContact CE1-CD1 3.47Å; F206-L210 HydrophobicContact CE1-CG 4.36Å; F206-L210 HydrophobicContact CE2-CD1 4.41Å; F206-L210 HydrophobicContact CZ-CD1 3.64Å; F206-L210 HydrophobicContact CZ-CG 4.33Å; F206-L210 WeakPolarHBondContact O-CG 3.32Å; F206-L210 PolarHBondContact O-N 2.65Å; Y207-L210 HydrophobicContact CD1-CD1 4.38Å; Y207-L210 PolarHBondContact O-N 3.11Å
211E97.3Very high97.3Very high84 Ų8456.7 Ų56.739%0.39330%0.295SS..Hα-helixtrans-82.2-41.3-177.1-175.570.2-168.400113N174 Y207 A208 S209N174-E211 HydrophobicContact CB-CB 3.86Å; N174-E211 WeakPolarHBondContact CB-OE2 3.43Å; Y207-E211 PolarHBondContact O-N 2.78Å; Y207-E211 VanDerWaalsContact O-N 3.07Å; A208-E211 PolarHBondContact O-N 2.91Å; S209-E211 VanDerWaalsContact C-N 3.34Å
212Y97.5Very high97.2Very high53 Ų5356.7 Ų56.721%0.20830%0.295CS..Hα-helixtrans-123-12.9-167.9-52.3-60.2000114.5S175 A208 H216 R218S175-Y212 VanDerWaalsContact CB-OH 3.27Å; S175-Y212 WeakPolarHBondContact CB-OH 3.33Å; S175-Y212 PolarHBondContact OG-OH 3.37Å; A208-Y212 WeakPolarHBondContact O-CB 3.25Å; A208-Y212 PolarHBondContact O-N 3.41Å; Y212-H216 AromaticContact CG-ND1 3.88Å; Y212-H216 VanDerWaalsContact O-CB 3.25Å; Y212-H216 WeakPolarHBondContact O-CB 3.35Å; Y212-R218 HydrophobicContact CD2-CB 3.63Å; Y212-R218 HydrophobicContact CD2-CG 4.34Å; Y212-R218 HydrophobicContact CE2-CB 3.88Å; Y212-R218 HydrophobicContact CE2-CG 4.26Å; Y212-R218 HydrophobicContact CG-CB 4.25Å
213G97.9Very high97.2Very high30 Ų3061 Ų6131%0.30931%0.309SS..  trans88.4162.1-169.300000113.4S209 D215 T219S209-G213 WeakPolarHBondContact O-CA 2.85Å; S209-G213 PolarHBondContact O-N 3.49Å; G213-D215 PolarHBondContact O-N 2.92Å; G213-T219 WeakPolarHBondContact O-CB 3.43Å; G213-T219 PolarHBondContact O-OG1 3.39Å
214T97Very high97.2Very high75 Ų7561.9 Ų61.946%0.4631%0.313SS..THydrogen-bonded Turntrans-68.3-33.4-175.751.50000113.2H216T214-H216 VanDerWaalsContact C-N 3.33Å
215D96.5Very high97.2Very high160 Ų16064.1 Ų64.186%0.85632%0.324SS*.THydrogen-bonded Turntrans-90-1.2-173.6-57.1-20.6000113G213G213-D215 PolarHBondContact O-N 2.92Å
216H97.3Very high97.1Very high67 Ų6764.6 Ų64.631%0.3133%0.326SS..SBendtrans-76.8143.3-176.8-170.6-89.8000111.8Y212 T214 R218 T219 A220Y212-H216 AromaticContact CG-ND1 3.88Å; Y212-H216 VanDerWaalsContact O-CB 3.25Å; Y212-H216 WeakPolarHBondContact O-CB 3.35Å; T214-H216 VanDerWaalsContact C-N 3.33Å; H216-R218 WeakPolarHBondContact ND1-CB 3.4Å; H216-R218 PolarHBondContact ND1-N 3.24Å; H216-R218 VanDerWaalsContact ND1-N 3.15Å; H216-R218 PolarHBondContact O-N 2.86Å; H216-T219 WeakPolarHBondContact O-CA 3.28Å; H216-T219 WeakPolarHBondContact O-CB 3.32Å; H216-T219 PolarHBondContact O-N 2.87Å; H216-A220 PolarHBondContact O-N 2.92Å
217I95.9Very high97.1Very high139 Ų13963.5 Ų63.571%0.71333%0.331SS*.Hα-helixtrans-55.3-30.9-177.6-168.6168.6000113.7A220 G221I217-A220 PolarHBondContact O-N 2.95Å; I217-G221 PolarHBondContact O-N 3.36Å
218R93.9Very high97.1Very high137 Ų13765 Ų6552%0.51734%0.34SS..Hα-helixtrans-67.7-36.7175.7-70179.1-176.6135.2-1112.5Y212 H216 G221Y212-R218 HydrophobicContact CD2-CB 3.63Å; Y212-R218 HydrophobicContact CD2-CG 4.34Å; Y212-R218 HydrophobicContact CE2-CB 3.88Å; Y212-R218 HydrophobicContact CE2-CG 4.26Å; Y212-R218 HydrophobicContact CG-CB 4.25Å; H216-R218 WeakPolarHBondContact ND1-CB 3.4Å; H216-R218 PolarHBondContact ND1-N 3.24Å; H216-R218 VanDerWaalsContact ND1-N 3.15Å; H216-R218 PolarHBondContact O-N 2.86Å; R218-G221 PolarHBondContact O-N 2.85Å
219T97.5Very high97Very high0 Ų065.2 Ų65.20%034%0.341CS..Hα-helixtrans-72.9-36.7175.7-490000110.9I205 A208 S209 G213 H216 G221 G222 Y223I205-T219 HydrophobicContact CG2-CG2 4.35Å; A208-T219 HydrophobicContact CB-CG2 4.16Å; A208-T219 PolarHBondContact O-OG1 2.88Å; S209-T219 WeakPolarHBondContact OG-CG2 3.45Å; G213-T219 WeakPolarHBondContact O-CB 3.43Å; G213-T219 PolarHBondContact O-OG1 3.39Å; H216-T219 WeakPolarHBondContact O-CA 3.28Å; H216-T219 WeakPolarHBondContact O-CB 3.32Å; H216-T219 PolarHBondContact O-N 2.87Å; T219-G221 PolarHBondContact O-N 3.3Å; T219-G221 VanDerWaalsContact O-N 3.16Å; T219-G222 PolarHBondContact O-N 2.8Å; T219-Y223 HydrophobicContact CG2-CE2 4.02Å; T219-Y223 PolarHBondContact O-N 3.2Å
220A96.6Very high97Very high44 Ų4466.7 Ų66.736%0.36435%0.345SS..Hα-helixtrans-56.5-31.3174.600000113.5H216 I217 G222 Y223 F224H216-A220 PolarHBondContact O-N 2.92Å; I217-A220 PolarHBondContact O-N 2.95Å; A220-G222 VanDerWaalsContact C-N 3.29Å; A220-G222 PolarHBondContact O-N 2.82Å; A220-Y223 PolarHBondContact O-N 2.84Å; A220-F224 PolarHBondContact O-N 3.06Å
221G94.2Very high96.9Very high23 Ų2367.6 Ų67.624%0.23734%0.342CS..Hα-helixtrans-57.6-39.8172.600000113.1I217 R218 T219 Q225I217-G221 PolarHBondContact O-N 3.36Å; R218-G221 PolarHBondContact O-N 2.85Å; T219-G221 PolarHBondContact O-N 3.3Å; T219-G221 VanDerWaalsContact O-N 3.16Å; G221-Q225 WeakPolarHBondContact O-CG 2.98Å; G221-Q225 PolarHBondContact O-N 3.39Å; G221-Q225 VanDerWaalsContact O-N 3.15Å
222G96.7Very high96.8Very high0 Ų065.1 Ų65.10%034%0.336CS..Hα-helixtrans-67.5-42.7176.300000112.4T219 A220 F224 Q225 M226T219-G222 PolarHBondContact O-N 2.8Å; A220-G222 VanDerWaalsContact C-N 3.29Å; A220-G222 PolarHBondContact O-N 2.82Å; G222-F224 VanDerWaalsContact C-N 3.34Å; G222-F224 PolarHBondContact O-N 3.46Å; G222-Q225 PolarHBondContact O-N 3.32Å; G222-M226 PolarHBondContact O-N 2.96Å
223Y98.1Very high96.7Very high102 Ų10263.3 Ų63.340%0.433%0.33SS..Hα-helixtrans-59-45.1174.9-61-43.2000112I205 T219 A220 Q225 M226 A227I205-Y223 HydrophobicContact CB-CE1 4.48Å; I205-Y223 HydrophobicContact CD1-CD1 3.61Å; I205-Y223 HydrophobicContact CD1-CE1 3.92Å; I205-Y223 HydrophobicContact CG1-CD1 4.07Å; I205-Y223 HydrophobicContact CG1-CE1 4.15Å; I205-Y223 HydrophobicContact CG2-CD1 4.28Å; I205-Y223 HydrophobicContact CG2-CE1 3.5Å; T219-Y223 HydrophobicContact CG2-CE2 4.02Å; T219-Y223 PolarHBondContact O-N 3.2Å; A220-Y223 PolarHBondContact O-N 2.84Å; Y223-Q225 VanDerWaalsContact C-N 3.35Å; Y223-Q225 PolarHBondContact O-N 3.24Å; Y223-M226 PolarHBondContact O-N 3.34Å; Y223-A227 PolarHBondContact O-N 2.89Å
224F98Very high96.4Very high118 Ų11868.4 Ų68.452%0.51834%0.34SS..Hα-helixtrans-58.3-46.8176.7175.8-98.1000111.5A220 G222 M226 A227 E228A220-F224 PolarHBondContact O-N 3.06Å; G222-F224 VanDerWaalsContact C-N 3.34Å; G222-F224 PolarHBondContact O-N 3.46Å; F224-M226 PolarHBondContact O-N 2.94Å; F224-A227 WeakPolarHBondContact O-CB 3.45Å; F224-A227 PolarHBondContact O-N 2.98Å; F224-E228 HydrophobicContact CD1-CG 4.35Å; F224-E228 HydrophobicContact CE1-CG 3.84Å; F224-E228 HydrophobicContact CE2-CG 4.36Å; F224-E228 HydrophobicContact CZ-CG 3.84Å; F224-E228 PolarHBondContact O-N 2.95Å
225Q97.4Very high96.2Very high48 Ų4869.8 Ų69.822%0.22434%0.34CS..Hα-helixtrans-65.6-37.8179-64.2-57.3-21.400112.8L186 L201 G221 G222 Y223 A227 E228 V229L186-Q225 HydrophobicContact CD2-CG 4.19Å; L201-Q225 HydrophobicContact CD1-CB 3.99Å; L201-Q225 HydrophobicContact CD2-CB 3.67Å; L201-Q225 HydrophobicContact CD2-CG 4.49Å; L201-Q225 HydrophobicContact CG-CB 4.47Å; G221-Q225 WeakPolarHBondContact O-CG 2.98Å; G221-Q225 PolarHBondContact O-N 3.39Å; G221-Q225 VanDerWaalsContact O-N 3.15Å; G222-Q225 PolarHBondContact O-N 3.32Å; Y223-Q225 VanDerWaalsContact C-N 3.35Å; Y223-Q225 PolarHBondContact O-N 3.24Å; Q225-A227 VanDerWaalsContact C-N 3.31Å; Q225-A227 PolarHBondContact O-N 3.35Å; Q225-E228 PolarHBondContact O-N 3.17Å; Q225-V229 WeakPolarHBondContact O-CG2 3.32Å; Q225-V229 PolarHBondContact O-N 3.49Å; Q225-V229 VanDerWaalsContact O-N 3.07Å
226M97.9Very high95.9Very high21 Ų2163.7 Ų63.710%0.10331%0.312CS..Hα-helixtrans-62.6-40.9173.7-74.5-16782.500111.6L198 L201 I205 G222 Y223 F224 V229 F230 L259L198-M226 HydrophobicContact CD2-CE 3.76Å; L198-M226 HydrophobicContact CD2-CG 4.49Å; L201-M226 HydrophobicContact CB-CG 3.48Å; L201-M226 VanDerWaalsContact CB-CG 3.48Å; L201-M226 HydrophobicContact CB-SD 4.36Å; L201-M226 HydrophobicContact CD1-CG 4.02Å; L201-M226 HydrophobicContact CG-CG 4.37Å; I205-M226 HydrophobicContact CD1-CG 3.85Å; I205-M226 HydrophobicContact CD1-SD 3.18Å; I205-M226 WeakPolarHBondContact CD1-SD 3.45Å; G222-M226 PolarHBondContact O-N 2.96Å; Y223-M226 PolarHBondContact O-N 3.34Å; F224-M226 PolarHBondContact O-N 2.94Å; M226-V229 PolarHBondContact O-N 3.32Å; M226-F230 HydrophobicContact CE-CE2 4.32Å; M226-F230 WeakPolarHBondContact O-CD2 3.47Å; M226-F230 PolarHBondContact O-N 3.33Å; M226-L259 HydrophobicContact CE-CD1 4.05Å
227A98Very high95.4Very high51 Ų5163 Ų6342%0.42131%0.311SS..Hα-helixtrans-61.9-42.9176.700000111.8Y223 F224 Q225 V229 F230 Y231Y223-A227 PolarHBondContact O-N 2.89Å; F224-A227 WeakPolarHBondContact O-CB 3.45Å; F224-A227 PolarHBondContact O-N 2.98Å; Q225-A227 VanDerWaalsContact C-N 3.31Å; Q225-A227 PolarHBondContact O-N 3.35Å; A227-V229 VanDerWaalsContact C-N 3.31Å; A227-V229 PolarHBondContact O-N 3.01Å; A227-F230 PolarHBondContact O-N 3.36Å; A227-Y231 WeakPolarHBondContact O-CB 3.19Å; A227-Y231 PolarHBondContact O-N 2.96Å
228E96.7Very high94.5Very high90 Ų9058.9 Ų58.942%0.42130%0.302SS..Hα-helixtrans-60-40.4174.7-72.5-61.6117.300112F224 Q225 Y231 A232F224-E228 HydrophobicContact CD1-CG 4.35Å; F224-E228 HydrophobicContact CE1-CG 3.84Å; F224-E228 HydrophobicContact CE2-CG 4.36Å; F224-E228 HydrophobicContact CZ-CG 3.84Å; F224-E228 PolarHBondContact O-N 2.95Å; Q225-E228 PolarHBondContact O-N 3.17Å; E228-Y231 PolarHBondContact O-N 3.17Å; E228-A232 WeakPolarHBondContact O-CB 3.46Å; E228-A232 PolarHBondContact O-N 2.94Å
229V97.8Very high92.9Very high5 Ų559.4 Ų59.43%0.0332%0.315CS..Hα-helixtrans-64.7-47.5175.3173.30000111.4A189 Y194 A197 L198 L201 Q225 M226 A227 Y231 A232 M233A189-V229 HydrophobicContact CB-CG2 3.81Å; Y194-V229 HydrophobicContact CD1-CG1 3.99Å; Y194-V229 HydrophobicContact CG-CG1 4.43Å; A197-V229 HydrophobicContact CB-CG1 4.32Å; A197-V229 HydrophobicContact CB-CG2 4.18Å; L198-V229 HydrophobicContact CD1-CG1 4.46Å; L198-V229 HydrophobicContact CD2-CB 4.08Å; L198-V229 HydrophobicContact CD2-CG1 3.75Å; L198-V229 HydrophobicContact CG-CG1 3.77Å; L201-V229 HydrophobicContact CD1-CG2 3.71Å; Q225-V229 WeakPolarHBondContact O-CG2 3.32Å; Q225-V229 PolarHBondContact O-N 3.49Å; Q225-V229 VanDerWaalsContact O-N 3.07Å; M226-V229 PolarHBondContact O-N 3.32Å; A227-V229 VanDerWaalsContact C-N 3.31Å; A227-V229 PolarHBondContact O-N 3.01Å; V229-Y231 VanDerWaalsContact C-N 3.27Å; V229-Y231 PolarHBondContact O-N 3.22Å; V229-A232 PolarHBondContact O-N 2.94Å; V229-M233 HydrophobicContact CG1-SD 4.12Å; V229-M233 VanDerWaalsContact O-CG 3.3Å; V229-M233 WeakPolarHBondContact O-CG 3.44Å; V229-M233 PolarHBondContact O-N 3.2Å
230F97.6Very high91.1Very high54 Ų5467.8 Ų67.824%0.23735%0.351CS..Hα-helixtrans-59.7-38.8175.6-77-58000112.1L198 M226 A227 M233 Y234 L252L198-F230 HydrophobicContact CD1-CD1 4.36Å; L198-F230 HydrophobicContact CD1-CE1 3.75Å; L198-F230 HydrophobicContact CD1-CZ 4.07Å; L198-F230 HydrophobicContact CD2-CD2 4.34Å; L198-F230 HydrophobicContact CD2-CE1 4.18Å; L198-F230 HydrophobicContact CD2-CE2 3.97Å; L198-F230 HydrophobicContact CD2-CZ 3.88Å; M226-F230 HydrophobicContact CE-CE2 4.32Å; M226-F230 WeakPolarHBondContact O-CD2 3.47Å; M226-F230 PolarHBondContact O-N 3.33Å; A227-F230 PolarHBondContact O-N 3.36Å; F230-M233 HydrophobicContact CD1-SD 4.21Å; F230-M233 PolarHBondContact O-N 3.15Å; F230-Y234 WeakPolarHBondContact O-CB 3.42Å; F230-Y234 PolarHBondContact O-N 2.74Å; F230-L252 HydrophobicContact CD1-CD2 4.25Å; F230-L252 HydrophobicContact CE1-CD2 4.03Å; F230-L252 HydrophobicContact CZ-CD2 4.31Å
231Y95.8Very high88.7Confident119 Ų11967.9 Ų67.947%0.46736%0.357SS..Hα-helixtrans-67.1-39.9176.6-177.9-120.3000112.4A227 E228 V229 Y234 K235A227-Y231 WeakPolarHBondContact O-CB 3.19Å; A227-Y231 PolarHBondContact O-N 2.96Å; E228-Y231 PolarHBondContact O-N 3.17Å; V229-Y231 VanDerWaalsContact C-N 3.27Å; V229-Y231 PolarHBondContact O-N 3.22Å; Y231-Y234 PolarHBondContact O-N 3.47Å; Y231-K235 HydrophobicContact CD1-CD 4.38Å; Y231-K235 HydrophobicContact CE1-CD 3.95Å; Y231-K235 VanDerWaalsContact CZ-NZ 3.34Å; Y231-K235 PolarHBondContact O-N 3.09Å; Y231-K235 WeakPolarHBondContact OH-CE 3.43Å; Y231-K235 PolarHBondContact OH-NZ 2.83Å; Y231-K235 VanDerWaalsContact OH-NZ 3.08Å
232A94.5Very high86.6Confident31 Ų3172.3 Ų72.326%0.25638%0.384SS..Hα-helixtrans-62.8-42.2173.400000111.8Y194 E228 V229 K235 A236Y194-A232 HydrophobicContact CE1-CB 3.73Å; E228-A232 WeakPolarHBondContact O-CB 3.46Å; E228-A232 PolarHBondContact O-N 2.94Å; V229-A232 PolarHBondContact O-N 2.94Å; A232-K235 PolarHBondContact O-N 3.42Å; A232-A236 WeakPolarHBondContact O-CB 3.38Å; A232-A236 PolarHBondContact O-N 3.02Å
233M94.9Very high84.3Confident16 Ų1680.9 Ų80.98%0.07942%0.424CS..Hα-helixtrans-61.4-44.7173.7-67.7169.87400111.8Y194 L198 V229 F230 K235 A236 N237Y194-M233 HydrophobicContact CD1-CG 4.06Å; Y194-M233 HydrophobicContact CD2-CG 3.55Å; Y194-M233 HydrophobicContact CE2-CG 4.23Å; Y194-M233 HydrophobicContact CG-CG 3.43Å; Y194-M233 VanDerWaalsContact CG-CG 3.43Å; Y194-M233 HydrophobicContact CG-SD 4.29Å; L198-M233 HydrophobicContact CD1-CE 4.45Å; L198-M233 HydrophobicContact CD1-SD 3.86Å; V229-M233 HydrophobicContact CG1-SD 4.12Å; V229-M233 VanDerWaalsContact O-CG 3.3Å; V229-M233 WeakPolarHBondContact O-CG 3.44Å; V229-M233 PolarHBondContact O-N 3.2Å; F230-M233 HydrophobicContact CD1-SD 4.21Å; F230-M233 PolarHBondContact O-N 3.15Å; M233-K235 PolarHBondContact O-N 3.27Å; M233-A236 PolarHBondContact O-N 3.06Å; M233-N237 WeakPolarHBondContact O-CB 3.26Å; M233-N237 VanDerWaalsContact O-CG 3.29Å; M233-N237 PolarHBondContact O-N 3.45Å; M233-N237 PolarHBondContact O-ND2 2.99Å
234Y93.1Very high81.9Confident137 Ų13781.7 Ų81.754%0.53744%0.435SS..Hα-helixtrans-58.4-47.1176.1173.4-97.6000111.5F230 Y231 N237 G238F230-Y234 WeakPolarHBondContact O-CB 3.42Å; F230-Y234 PolarHBondContact O-N 2.74Å; Y231-Y234 PolarHBondContact O-N 3.47Å; Y234-N237 PolarHBondContact O-N 3.34Å; Y234-G238 PolarHBondContact O-N 3Å
235K92.6Very high79.5Confident104 Ų10483.8 Ų83.845%0.45245%0.446SS..Hα-helixtrans-61.7-44.3175.9-79.3-179164.6168.70112.6Y231 A232 M233 N237 G238 N239Y231-K235 HydrophobicContact CD1-CD 4.38Å; Y231-K235 HydrophobicContact CE1-CD 3.95Å; Y231-K235 VanDerWaalsContact CZ-NZ 3.34Å; Y231-K235 PolarHBondContact O-N 3.09Å; Y231-K235 WeakPolarHBondContact OH-CE 3.43Å; Y231-K235 PolarHBondContact OH-NZ 2.83Å; Y231-K235 VanDerWaalsContact OH-NZ 3.08Å; A232-K235 PolarHBondContact O-N 3.42Å; M233-K235 PolarHBondContact O-N 3.27Å; K235-N237 VanDerWaalsContact C-N 3.25Å; K235-N237 PolarHBondContact O-N 3.47Å; K235-G238 PolarHBondContact O-N 2.99Å; K235-N239 PolarHBondContact O-N 3.11Å; K235-N239 VanDerWaalsContact O-N 3.11Å
236A89.9Confident77.1Confident32 Ų3287.3 Ų87.326%0.26447%0.467SS..Hα-helixtrans-62.4-34.5178.600000112.1Y194 A232 M233 K240Y194-A236 HydrophobicContact CE2-CB 4.3Å; A232-A236 WeakPolarHBondContact O-CB 3.38Å; A232-A236 PolarHBondContact O-N 3.02Å; M233-A236 PolarHBondContact O-N 3.06Å; A236-K240 WeakPolarHBondContact O-CG 3.36Å
237N85.7Confident74.7Confident53 Ų5391 Ų9128%0.28348%0.483SS..Hα-helixtrans-81.3-38.2177.5-69.5-13.7000112.8M233 Y234 K235 N239 K240M233-N237 WeakPolarHBondContact O-CB 3.26Å; M233-N237 VanDerWaalsContact O-CG 3.29Å; M233-N237 PolarHBondContact O-N 3.45Å; M233-N237 PolarHBondContact O-ND2 2.99Å; Y234-N237 PolarHBondContact O-N 3.34Å; K235-N237 VanDerWaalsContact C-N 3.25Å; K235-N237 PolarHBondContact O-N 3.47Å; N237-N239 PolarHBondContact O-N 3.22Å; N237-K240 WeakPolarHBondContact O-CA 3.18Å; N237-K240 WeakPolarHBondContact O-CB 3.44Å; N237-K240 PolarHBondContact O-N 3.49Å
238G76.7Confident72.4Confident51 Ų5192.4 Ų92.453%0.52648%0.481SS..Hα-helixtrans-60.4-34.6174.700000112.5Y234 K235 K240 G241Y234-G238 PolarHBondContact O-N 3Å; K235-G238 PolarHBondContact O-N 2.99Å; G238-K240 VanDerWaalsContact C-N 3.27Å; G238-K240 PolarHBondContact O-N 2.97Å; G238-G241 PolarHBondContact O-N 3.26Å
239N61.8Low70Confident148 Ų14894.7 Ų94.779%0.79149%0.489SS*.THydrogen-bonded Turntrans-72.8-15.3172.4-73.1-10.7000113.9K235 N237 G241K235-N239 PolarHBondContact O-N 3.11Å; K235-N239 VanDerWaalsContact O-N 3.11Å; N237-N239 PolarHBondContact O-N 3.22Å; N239-G241 VanDerWaalsContact C-N 3.35Å
240K58.6Low67.7Low176 Ų17696.9 Ų96.977%0.76550%0.504SS*.THydrogen-bonded Turntrans-91.38.6176.9-73.8-178.4-179.4178.90114A236 N237 G238A236-K240 WeakPolarHBondContact O-CG 3.36Å; N237-K240 WeakPolarHBondContact O-CA 3.18Å; N237-K240 WeakPolarHBondContact O-CB 3.44Å; N237-K240 PolarHBondContact O-N 3.49Å; G238-K240 VanDerWaalsContact C-N 3.27Å; G238-K240 PolarHBondContact O-N 2.97Å
241G46.9Very low65.4Low47 Ų4796.7 Ų96.749%0.48550%0.504SS..  trans97141.7167.300000114.1G238 N239 H243G238-G241 PolarHBondContact O-N 3.26Å; N239-G241 VanDerWaalsContact C-N 3.35Å; G241-H243 PolarHBondContact O-N 2.71Å
242S49.2Very low63Low116 Ų11694.7 Ų94.781%0.81150%0.501SS*.THydrogen-bonded Turntrans-61.752.8-178.849.90000115.9
243H49.3Very low60.5Low179 Ų17998.3 Ų98.383%0.82952%0.516SS*.THydrogen-bonded Turntrans-136.44.7176.5-91.8-63.6000119.3G241G241-H243 PolarHBondContact O-N 2.71Å
244D47.3Very low58.3Low119 Ų119102.1 Ų102.164%0.63654%0.537SS*.  trans-137.679.5177.8-114.9-31.5000115.4N246D244-N246 PolarHBondContact O-N 3.25Å
245Q48.2Very low55.9Low162 Ų16297.2 Ų97.276%0.75752%0.522SS*.Hα-helixtrans-67.4-12.2170.1-66.9-178.1-1.800113
246N46.7Very low53.5Low123 Ų12396.7 Ų96.766%0.65852%0.523SS*.Hα-helixtrans-82.2-26.6-177.7-79.2-26.4000113.7D244D244-N246 PolarHBondContact O-N 3.25Å
247F48.3Very low51Low98 Ų9897.8 Ų97.843%0.4353%0.528SS..Hα-helixtrans-72-31.1178.6-168.1-99.2000112.7K249 S250 Q251F247-K249 PolarHBondContact O-N 2.96Å; F247-S250 PolarHBondContact O-N 2.93Å; F247-S250 PolarHBondContact O-OG 3.35Å; F247-Q251 VanDerWaalsContact CE1-CD 3.43Å; F247-Q251 HydrophobicContact CE1-CG 4.18Å; F247-Q251 HydrophobicContact CZ-CG 4.23Å; F247-Q251 VanDerWaalsContact CZ-NE2 3.31Å; F247-Q251 PolarHBondContact O-N 3.47Å
248Q49.8Very low48.9Very low81 Ų81100.4 Ų100.438%0.37954%0.538SS..Hα-helixtrans-63.7-39.2176.6-78.8176.4-24.100112.5L252Q248-L252 PolarHBondContact O-N 3.05Å
249K44.5Very low47.1Very low138 Ų13899.9 Ų99.960%0.652%0.523SS*.Hα-helixtrans-70.8-36.2-179.9-73.2-179.7-178.8173.90112F247 N253F247-K249 PolarHBondContact O-N 2.96Å; K249-N253 WeakPolarHBondContact O-CB 3.4Å; K249-N253 PolarHBondContact O-N 2.98Å; K249-N253 PolarHBondContact O-ND2 3.41Å; K249-N253 VanDerWaalsContact O-ND2 3.14Å
250S49.4Very low45.9Very low50 Ų5097.9 Ų97.935%0.3551%0.512SS..Hα-helixtrans-68.5-43.6-17861.90000112.3F247 L254F247-S250 PolarHBondContact O-N 2.93Å; F247-S250 PolarHBondContact O-OG 3.35Å; S250-L254 VanDerWaalsContact O-CB 3.3Å; S250-L254 WeakPolarHBondContact O-CB 3.34Å; S250-L254 WeakPolarHBondContact O-CD1 3.22Å; S250-L254 PolarHBondContact O-N 2.92Å
251Q50.4Low45.2Very low51 Ų5196 Ų9624%0.23851%0.506CS..Hα-helixtrans-75.2-40.3-177.9-69.2-169-30.100113.4F247 L254 C255F247-Q251 VanDerWaalsContact CE1-CD 3.43Å; F247-Q251 HydrophobicContact CE1-CG 4.18Å; F247-Q251 HydrophobicContact CZ-CG 4.23Å; F247-Q251 VanDerWaalsContact CZ-NE2 3.31Å; F247-Q251 PolarHBondContact O-N 3.47Å; Q251-L254 PolarHBondContact O-N 3.42Å; Q251-C255 WeakPolarHBondContact O-CB 3.33Å; Q251-C255 PolarHBondContact O-N 2.98Å
252L46.1Very low45Very low77 Ų77101.6 Ų101.640%0.40352%0.517SS..Hα-helixtrans-65.3-41.6173.3-81.1156.7000111.5F230 Q248 I256F230-L252 HydrophobicContact CD1-CD2 4.25Å; F230-L252 HydrophobicContact CE1-CD2 4.03Å; F230-L252 HydrophobicContact CZ-CD2 4.31Å; Q248-L252 PolarHBondContact O-N 3.05Å; L252-I256 HydrophobicContact CD2-CD1 4.35Å; L252-I256 VanDerWaalsContact O-CG1 3.32Å; L252-I256 WeakPolarHBondContact O-CG1 3.4Å; L252-I256 PolarHBondContact O-N 2.96Å
253N41.8Very low44.6Very low107 Ų107100.3 Ų100.357%0.57250%0.497SS*.Hα-helixtrans-78.7-14.5178.2-64.5-20.7000114.1K249 P257K249-N253 WeakPolarHBondContact O-CB 3.4Å; K249-N253 PolarHBondContact O-N 2.98Å; K249-N253 PolarHBondContact O-ND2 3.41Å; K249-N253 VanDerWaalsContact O-ND2 3.14Å; N253-P257 WeakPolarHBondContact O-CD 3.44Å; N253-P257 WeakPolarHBondContact O-CG 3.32Å
254L47Very low43.9Very low96 Ų9699.8 Ų99.850%0.50350%0.495SS..Hα-helixtrans-84.9-44.3169.3-99.398.1000111.2S250 Q251 Q258S250-L254 VanDerWaalsContact O-CB 3.3Å; S250-L254 WeakPolarHBondContact O-CB 3.34Å; S250-L254 WeakPolarHBondContact O-CD1 3.22Å; S250-L254 PolarHBondContact O-N 2.92Å; Q251-L254 PolarHBondContact O-N 3.42Å; L254-Q258 VanDerWaalsContact O-CB 3.24Å; L254-Q258 WeakPolarHBondContact O-CB 3.27Å; L254-Q258 VanDerWaalsContact O-CG 3.24Å; L254-Q258 WeakPolarHBondContact O-CG 3.46Å; L254-Q258 PolarHBondContact O-N 3.32Å
255C42.9Very low43.5Very low34 Ų34106.1 Ų106.123%0.2352%0.516CS..Hα-helixtrans-69.7-45.2-174.1-116.60000112.4Q251 L259Q251-C255 WeakPolarHBondContact O-CB 3.33Å; Q251-C255 PolarHBondContact O-N 2.98Å; C255-L259 VanDerWaalsContact O-CB 3.25Å; C255-L259 WeakPolarHBondContact O-CB 3.35Å; C255-L259 VanDerWaalsContact O-CD1 3.26Å; C255-L259 WeakPolarHBondContact O-CD1 3.16Å; C255-L259 WeakPolarHBondContact O-CG 3.49Å; C255-L259 PolarHBondContact O-N 3.47Å; C255-L259 VanDerWaalsContact O-N 3.1Å
256I43.4Very low43.3Very low92 Ų92103.3 Ų103.347%0.47250%0.504SS..Hα-helixtrans-65.8-47.9-175.1-58.9167.7000111.9L252 L260L252-I256 HydrophobicContact CD2-CD1 4.35Å; L252-I256 VanDerWaalsContact O-CG1 3.32Å; L252-I256 WeakPolarHBondContact O-CG1 3.4Å; L252-I256 PolarHBondContact O-N 2.96Å; I256-L260 HydrophobicContact CG2-CD1 4.04Å; I256-L260 WeakPolarHBondContact O-CG 3.36Å; I256-L260 PolarHBondContact O-N 3.03Å; I256-L260 VanDerWaalsContact O-N 3.15Å
257P36.9Very low43.1Very low56 Ų56102.3 Ų102.336%0.36450%0.496SS..Hα-helixtrans-74.8-36.1-179.1-2036.7000113.9N253 L259 L260 Q261N253-P257 WeakPolarHBondContact O-CD 3.44Å; N253-P257 WeakPolarHBondContact O-CG 3.32Å; P257-L259 VanDerWaalsContact C-N 3.28Å; P257-L259 PolarHBondContact O-N 3.34Å; P257-L260 PolarHBondContact O-N 2.92Å; P257-Q261 WeakPolarHBondContact O-CB 3.19Å; P257-Q261 WeakPolarHBondContact O-CG 3.36Å; P257-Q261 PolarHBondContact O-N 3.44Å
258Q40.7Very low42.8Very low108 Ų108102.5 Ų102.551%0.50550%0.5SS..Hα-helixtrans-69.1-29.8177.4-70.9-178.3-12.800112.1L254 K262L254-Q258 VanDerWaalsContact O-CB 3.24Å; L254-Q258 WeakPolarHBondContact O-CB 3.27Å; L254-Q258 VanDerWaalsContact O-CG 3.24Å; L254-Q258 WeakPolarHBondContact O-CG 3.46Å; L254-Q258 PolarHBondContact O-N 3.32Å; Q258-K262 PolarHBondContact O-N 2.89Å
259L39Very low42.4Very low40 Ų40103.8 Ų103.821%0.20951%0.507CS..Hα-helixtrans-66.7-53.2170.3-76.8166.5000110.6A202 M226 C255 P257 Q261 K262 F263A202-L259 HydrophobicContact CB-CD1 4.2Å; A202-L259 HydrophobicContact CB-CD2 3.19Å; A202-L259 HydrophobicContact CB-CG 4.32Å; M226-L259 HydrophobicContact CE-CD1 4.05Å; C255-L259 VanDerWaalsContact O-CB 3.25Å; C255-L259 WeakPolarHBondContact O-CB 3.35Å; C255-L259 VanDerWaalsContact O-CD1 3.26Å; C255-L259 WeakPolarHBondContact O-CD1 3.16Å; C255-L259 WeakPolarHBondContact O-CG 3.49Å; C255-L259 PolarHBondContact O-N 3.47Å; C255-L259 VanDerWaalsContact O-N 3.1Å; P257-L259 VanDerWaalsContact C-N 3.28Å; P257-L259 PolarHBondContact O-N 3.34Å; L259-Q261 VanDerWaalsContact C-N 3.31Å; L259-Q261 PolarHBondContact O-N 3.21Å; L259-K262 PolarHBondContact O-N 3.45Å; L259-F263 HydrophobicContact CB-CE2 4.21Å; L259-F263 WeakPolarHBondContact O-CD2 3.48Å; L259-F263 PolarHBondContact O-N 3.33Å
260L37.6Very low42.3Very low105 Ų105101.6 Ų101.655%0.5550%0.501SS..Hα-helixtrans-58-38.1179.2-73.2167000113.4I256 P257 K262 F263 Q264I256-L260 HydrophobicContact CG2-CD1 4.04Å; I256-L260 WeakPolarHBondContact O-CG 3.36Å; I256-L260 PolarHBondContact O-N 3.03Å; I256-L260 VanDerWaalsContact O-N 3.15Å; P257-L260 PolarHBondContact O-N 2.92Å; L260-K262 VanDerWaalsContact C-N 3.27Å; L260-K262 PolarHBondContact O-N 3.35Å; L260-F263 PolarHBondContact O-N 3.22Å; L260-F263 VanDerWaalsContact O-N 3.13Å; L260-Q264 PolarHBondContact O-N 2.91Å
261Q44.5Very low41.8Very low138 Ų138105.1 Ų105.165%0.64551%0.511SS*.Hα-helixtrans-65.7-27.5175.4-76.6-179.62.500113.5P257 L259P257-Q261 WeakPolarHBondContact O-CB 3.19Å; P257-Q261 WeakPolarHBondContact O-CG 3.36Å; P257-Q261 PolarHBondContact O-N 3.44Å; L259-Q261 VanDerWaalsContact C-N 3.31Å; L259-Q261 PolarHBondContact O-N 3.21Å
262K42.8Very low41.2Very low164 Ų164108.9 Ų108.971%0.71353%0.531SS*.Hα-helixtrans-80.1-17.9173.9-73.3-178.5-178.6176.50113.1Q258 L259 L260Q258-K262 PolarHBondContact O-N 2.89Å; L259-K262 PolarHBondContact O-N 3.45Å; L260-K262 VanDerWaalsContact C-N 3.27Å; L260-K262 PolarHBondContact O-N 3.35Å
263F40.2Very low40.8Very low89 Ų89111.4 Ų111.439%0.3954%0.541SS..SBendtrans-85.2-7.1174.2-71-78000113.7F206 L259 L260F206-F263 HydrophobicContact CB-CE1 3.93Å; F206-F263 HydrophobicContact CB-CZ 4.12Å; F206-F263 AromaticContact CD2-CD1 3.79Å; F206-F263 HydrophobicContact CD2-CD1 3.79Å; F206-F263 AromaticContact CD2-CE1 3.47Å; F206-F263 HydrophobicContact CD2-CE1 3.47Å; F206-F263 VanDerWaalsContact CD2-CE1 3.47Å; F206-F263 HydrophobicContact CD2-CZ 4.29Å; F206-F263 HydrophobicContact CE2-CD1 4.39Å; F206-F263 HydrophobicContact CE2-CE1 4.47Å; F206-F263 HydrophobicContact CG-CE1 4.18Å; L259-F263 HydrophobicContact CB-CE2 4.21Å; L259-F263 WeakPolarHBondContact O-CD2 3.48Å; L259-F263 PolarHBondContact O-N 3.33Å; L260-F263 PolarHBondContact O-N 3.22Å; L260-F263 VanDerWaalsContact O-N 3.13Å
264Q33.4Very low40.7Very low168 Ų168111.8 Ų111.879%0.78554%0.538SS*.  trans-103.922.6-178.4-71.3-170.1-31.900114.4L260L260-Q264 PolarHBondContact O-N 2.91Å
265K40.5Very low40.2Very low251 Ų251113.2 Ų113.2100%1.09154%0.541SS*.  trans-1250169.1-70.4-172.8179.1-176.70109.9

Retrieved 265 of 265 residues in 59.1 ms (Link to these results)

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