A0A077Z0X3_TRITR Loading...

Heme transporter hrg1 B

AlphaFold DB , UniProt , Accession A0A077Z0X3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 165 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
1M51.1Low79.8Confident198 Ų19887.1 Ų87.198%0.97545%0.451SS*.  0135.30-83.6178.3176.300109.3V6M1-V6 HydrophobicContact CB-CG2 4.28Å; M1-V6 HydrophobicContact SD-CG2 4.35Å
2R65.1Low81Confident194 Ų19486.3 Ų86.373%0.73245%0.453SS*.  trans-64.2138.1174.2-66.7178.9178.3153.5-0.6109.3S4 T5R2-S4 WeakPolarHBondContact CB-OG 3.03Å; R2-S4 PolarHBondContact O-N 3.46Å; R2-T5 PolarHBondContact O-N 2.8Å
3P70.6Confident81.7Confident116 Ų11690.3 Ų90.375%0.75347%0.465SS*.Hα-helixtrans-56.4-26178.818.3-29.3000113L7P3-L7 PolarHBondContact O-N 3.01Å
4S76.8Confident82.4Confident69 Ų6983.9 Ų83.948%0.48343%0.432SS..Hα-helixtrans-66.2-35.8173.651.20000114.1R2 L7 T8R2-S4 WeakPolarHBondContact CB-OG 3.03Å; R2-S4 PolarHBondContact O-N 3.46Å; S4-L7 PolarHBondContact O-N 3.48Å; S4-T8 PolarHBondContact O-N 3.16Å; S4-T8 PolarHBondContact O-OG1 3.01Å
5T83.9Confident83Confident64 Ų6480.4 Ų80.439%0.39342%0.418SS..Hα-helixtrans-68.7-44.6179-490000110.6R2 L7 T8 I9R2-T5 PolarHBondContact O-N 2.8Å; T5-L7 VanDerWaalsContact C-N 3.31Å; T5-L7 PolarHBondContact O-N 2.79Å; T5-T8 PolarHBondContact O-N 2.86Å; T5-T8 VanDerWaalsContact O-N 3.15Å; T5-I9 HydrophobicContact CG2-CD1 4.14Å; T5-I9 WeakPolarHBondContact O-CG1 3.48Å; T5-I9 PolarHBondContact O-N 2.8Å
6V86.7Confident83.7Confident46 Ų4680.3 Ų80.328%0.27942%0.421SS..Hα-helixtrans-61.2-41.8177.4178.90000111M1 T8 I9 R10M1-V6 HydrophobicContact CB-CG2 4.28Å; M1-V6 HydrophobicContact SD-CG2 4.35Å; V6-T8 VanDerWaalsContact C-N 3.34Å; V6-T8 PolarHBondContact O-N 3.05Å; V6-I9 PolarHBondContact O-N 3.27Å; V6-R10 VanDerWaalsContact O-CG 3.31Å; V6-R10 WeakPolarHBondContact O-CG 3.19Å; V6-R10 PolarHBondContact O-N 3.48Å; V6-R10 VanDerWaalsContact O-N 3.09Å
7L85Confident84.1Confident18 Ų1876.2 Ų76.29%0.09440%0.404CS..Hα-helixtrans-61.7-43.2175.4-171.775.5000111.8P3 S4 T5 R10 I11 H55 Y58 K59 Y134P3-L7 PolarHBondContact O-N 3.01Å; S4-L7 PolarHBondContact O-N 3.48Å; T5-L7 VanDerWaalsContact C-N 3.31Å; T5-L7 PolarHBondContact O-N 2.79Å; L7-R10 PolarHBondContact O-N 3.3Å; L7-I11 HydrophobicContact CG-CD1 4.18Å; L7-I11 WeakPolarHBondContact O-CG1 3.21Å; L7-I11 PolarHBondContact O-N 3.41Å; L7-H55 HydrophobicContact CD1-CB 4.47Å; L7-Y58 HydrophobicContact CD1-CD1 3.9Å; L7-Y58 HydrophobicContact CD1-CE1 4.42Å; L7-Y58 HydrophobicContact CD2-CD1 3.94Å; L7-Y58 HydrophobicContact CD2-CE1 4.44Å; L7-K59 HydrophobicContact CD2-CB 4.07Å; L7-K59 HydrophobicContact CD2-CG 4.38Å; L7-Y134 WeakPolarHBondContact CD1-OH 3.11Å
8T88.1Confident84.6Confident66 Ų6673.7 Ų73.741%0.40539%0.39SS..Hα-helixtrans-63.8-43.3179.5-56.30000111.4S4 T5 V6 R10 I11 V12S4-T8 PolarHBondContact O-N 3.16Å; S4-T8 PolarHBondContact O-OG1 3.01Å; T5-T8 PolarHBondContact O-N 2.86Å; T5-T8 VanDerWaalsContact O-N 3.15Å; V6-T8 VanDerWaalsContact C-N 3.34Å; V6-T8 PolarHBondContact O-N 3.05Å; T8-R10 VanDerWaalsContact C-N 3.32Å; T8-R10 PolarHBondContact O-N 3.26Å; T8-I11 WeakPolarHBondContact O-CB 3.46Å; T8-I11 PolarHBondContact O-N 2.75Å; T8-V12 WeakPolarHBondContact O-CG2 2.94Å; T8-V12 PolarHBondContact O-N 2.96Å
9I91.2Very high85.1Confident74 Ų7476.1 Ų76.138%0.37940%0.397SS..Hα-helixtrans-58.8-45.7175.7-69.1166.4000110.5T5 V6 I11 V12 F13T5-I9 HydrophobicContact CG2-CD1 4.14Å; T5-I9 WeakPolarHBondContact O-CG1 3.48Å; T5-I9 PolarHBondContact O-N 2.8Å; V6-I9 PolarHBondContact O-N 3.27Å; I9-I11 VanDerWaalsContact C-N 3.32Å; I9-I11 PolarHBondContact O-N 3.31Å; I9-V12 PolarHBondContact O-N 2.87Å; I9-F13 HydrophobicContact CG2-CD2 3.58Å; I9-F13 HydrophobicContact CG2-CE2 3.48Å; I9-F13 VanDerWaalsContact CG2-CE2 3.48Å; I9-F13 VanDerWaalsContact O-CD2 3.25Å; I9-F13 WeakPolarHBondContact O-CD2 2.98Å; I9-F13 PolarHBondContact O-N 2.98Å
10R88.6Confident85.5Confident82 Ų8275.8 Ų75.831%0.30940%0.399SS..Hα-helixtrans-62.6-38177.9-69.1168.1178.2-179-2.8112.8V6 L7 T8 F13 A14 H55 Y130V6-R10 VanDerWaalsContact O-CG 3.31Å; V6-R10 WeakPolarHBondContact O-CG 3.19Å; V6-R10 PolarHBondContact O-N 3.48Å; V6-R10 VanDerWaalsContact O-N 3.09Å; L7-R10 PolarHBondContact O-N 3.3Å; T8-R10 VanDerWaalsContact C-N 3.32Å; T8-R10 PolarHBondContact O-N 3.26Å; R10-F13 PolarHBondContact O-N 3.42Å; R10-A14 WeakPolarHBondContact O-CB 3.35Å; R10-A14 PolarHBondContact O-N 3.01Å; R10-H55 WeakPolarHBondContact CB-NE2 3.44Å; R10-Y130 VanDerWaalsContact CD-OH 3.29Å; R10-Y130 WeakPolarHBondContact CD-OH 3.13Å; R10-Y130 VanDerWaalsContact CZ-OH 3.29Å; R10-Y130 PolarHBondContact NE-OH 3.33Å
11I91Very high85.8Confident31 Ų3172.2 Ų72.216%0.15938%0.38CS..Hα-helixtrans-61.1-46.5174.3-73.3166.9000110.6L7 T8 I9 A14 S15 L52 H55L7-I11 HydrophobicContact CG-CD1 4.18Å; L7-I11 WeakPolarHBondContact O-CG1 3.21Å; L7-I11 PolarHBondContact O-N 3.41Å; T8-I11 WeakPolarHBondContact O-CB 3.46Å; T8-I11 PolarHBondContact O-N 2.75Å; I9-I11 VanDerWaalsContact C-N 3.32Å; I9-I11 PolarHBondContact O-N 3.31Å; I11-A14 PolarHBondContact O-N 3.26Å; I11-S15 PolarHBondContact O-N 3.05Å; I11-S15 PolarHBondContact O-OG 3.45Å; I11-L52 HydrophobicContact CB-CD1 4.38Å; I11-L52 HydrophobicContact CG2-CD1 3.71Å; I11-H55 HydrophobicContact CD1-CB 4.04Å; I11-H55 HydrophobicContact CG1-CB 3.45Å; I11-H55 VanDerWaalsContact CG1-CB 3.45Å
12V93.4Very high87.8Confident78 Ų7866 Ų6647%0.47335%0.35SS..Hα-helixtrans-63.4-44.8178.4174.50000111.1T8 I9 A14 S15 V16T8-V12 WeakPolarHBondContact O-CG2 2.94Å; T8-V12 PolarHBondContact O-N 2.96Å; I9-V12 PolarHBondContact O-N 2.87Å; V12-A14 VanDerWaalsContact C-N 3.3Å; V12-A14 PolarHBondContact O-N 3.29Å; V12-S15 WeakPolarHBondContact CA-OG 3.37Å; V12-S15 PolarHBondContact O-N 3.46Å; V12-S15 PolarHBondContact O-OG 2.93Å; V12-V16 HydrophobicContact CG1-CG2 4.48Å; V12-V16 VanDerWaalsContact O-CG2 3.31Å; V12-V16 WeakPolarHBondContact O-CG2 3.44Å; V12-V16 PolarHBondContact O-N 3.42Å
13F91.1Very high89.2Confident138 Ų13863 Ų6361%0.60534%0.343SS*.Hα-helixtrans-61.2-39.7175.4-84.4-69.9000112.3I9 R10 G17 W123I9-F13 HydrophobicContact CG2-CD2 3.58Å; I9-F13 HydrophobicContact CG2-CE2 3.48Å; I9-F13 VanDerWaalsContact CG2-CE2 3.48Å; I9-F13 VanDerWaalsContact O-CD2 3.25Å; I9-F13 WeakPolarHBondContact O-CD2 2.98Å; I9-F13 PolarHBondContact O-N 2.98Å; R10-F13 PolarHBondContact O-N 3.42Å; F13-G17 PolarHBondContact O-N 3.49Å; F13-W123 WeakPolarHBondContact O-CH2 3.4Å
14A90.8Very high90.2Very high1 Ų159.1 Ų59.11%0.00832%0.317CS..Hα-helixtrans-68.6-38.9177.700000112.3R10 I11 V12 G17 L18 V51 L52 W123R10-A14 WeakPolarHBondContact O-CB 3.35Å; R10-A14 PolarHBondContact O-N 3.01Å; I11-A14 PolarHBondContact O-N 3.26Å; V12-A14 VanDerWaalsContact C-N 3.3Å; V12-A14 PolarHBondContact O-N 3.29Å; A14-G17 PolarHBondContact O-N 3.33Å; A14-L18 WeakPolarHBondContact O-CB 3.49Å; A14-L18 PolarHBondContact O-N 3.24Å; A14-V51 HydrophobicContact CB-CG1 4.32Å; A14-L52 HydrophobicContact CB-CB 4Å; A14-L52 HydrophobicContact CB-CD1 4.29Å; A14-W123 HydrophobicContact CB-CZ3 4.23Å
15S92.4Very high90.8Very high31 Ų3155.9 Ų55.922%0.21729%0.294CS..Hα-helixtrans-67-42.8175.962.80000111.6I11 V12 G17 L18 F19I11-S15 PolarHBondContact O-N 3.05Å; I11-S15 PolarHBondContact O-OG 3.45Å; V12-S15 WeakPolarHBondContact CA-OG 3.37Å; V12-S15 PolarHBondContact O-N 3.46Å; V12-S15 PolarHBondContact O-OG 2.93Å; S15-G17 VanDerWaalsContact C-N 3.32Å; S15-G17 PolarHBondContact O-N 3.33Å; S15-L18 WeakPolarHBondContact O-CB 3.38Å; S15-L18 PolarHBondContact O-N 3.28Å; S15-F19 WeakPolarHBondContact O-CD2 3.43Å; S15-F19 PolarHBondContact O-N 3.36Å
16V93.8Very high91.2Very high78 Ų7858.2 Ų58.247%0.47330%0.303SS..Hα-helixtrans-58.9-46172.71730000110.2V12 L18 F19 V20V12-V16 HydrophobicContact CG1-CG2 4.48Å; V12-V16 VanDerWaalsContact O-CG2 3.31Å; V12-V16 WeakPolarHBondContact O-CG2 3.44Å; V12-V16 PolarHBondContact O-N 3.42Å; V16-L18 VanDerWaalsContact C-N 3.33Å; V16-L18 PolarHBondContact O-N 3.15Å; V16-F19 PolarHBondContact O-N 3.44Å; V16-V20 HydrophobicContact CG1-CG2 4.01Å; V16-V20 VanDerWaalsContact O-CB 3.27Å; V16-V20 WeakPolarHBondContact O-CB 3.43Å; V16-V20 WeakPolarHBondContact O-CG2 3.3Å; V16-V20 PolarHBondContact O-N 3.23Å
17G90.5Very high91.4Very high12 Ų1259.1 Ų59.112%0.12431%0.31CS..Hα-helixtrans-59-40.5176.400000113.7F13 A14 S15 G21F13-G17 PolarHBondContact O-N 3.49Å; A14-G17 PolarHBondContact O-N 3.33Å; S15-G17 VanDerWaalsContact C-N 3.32Å; S15-G17 PolarHBondContact O-N 3.33Å; G17-G21 PolarHBondContact O-N 3.39Å
18L92.4Very high91.5Very high30 Ų3059.8 Ų59.816%0.15731%0.312CS..Hα-helixtrans-61.5-54.2175.7171.259.9000111.6A14 S15 V16 G21 L22 G45 A48 A49 L52A14-L18 WeakPolarHBondContact O-CB 3.49Å; A14-L18 PolarHBondContact O-N 3.24Å; S15-L18 WeakPolarHBondContact O-CB 3.38Å; S15-L18 PolarHBondContact O-N 3.28Å; V16-L18 VanDerWaalsContact C-N 3.33Å; V16-L18 PolarHBondContact O-N 3.15Å; L18-G21 PolarHBondContact O-N 2.93Å; L18-L22 HydrophobicContact CD1-CD1 3.7Å; L18-L22 HydrophobicContact CD1-CG 4.06Å; L18-L22 HydrophobicContact CG-CD1 4.21Å; L18-L22 WeakPolarHBondContact O-CG 3.35Å; L18-L22 PolarHBondContact O-N 3.24Å; L18-G45 VanDerWaalsContact CD1-O 3.3Å; L18-G45 WeakPolarHBondContact CD1-O 3.43Å; L18-A48 HydrophobicContact CB-CB 4.34Å; L18-A49 HydrophobicContact CD1-CB 3.71Å; L18-A49 HydrophobicContact CD2-CB 4.27Å; L18-L52 HydrophobicContact CD2-CD2 4.07Å
19F94.7Very high91.5Very high119 Ų11958.6 Ų58.652%0.52231%0.309SS..Hα-helixtrans-62.1-49.1-179.8-72.2-64.9000110.4S15 V16 G21 L22 F23S15-F19 WeakPolarHBondContact O-CD2 3.43Å; S15-F19 PolarHBondContact O-N 3.36Å; V16-F19 PolarHBondContact O-N 3.44Å; F19-G21 VanDerWaalsContact C-N 3.31Å; F19-G21 PolarHBondContact O-N 3.01Å; F19-L22 PolarHBondContact O-N 3.13Å; F19-F23 HydrophobicContact CB-CD2 4.2Å; F19-F23 HydrophobicContact CB-CE2 4.45Å; F19-F23 HydrophobicContact CD1-CD2 4.5Å; F19-F23 HydrophobicContact CD1-CE2 4.08Å; F19-F23 WeakPolarHBondContact O-CB 3.4Å; F19-F23 VanDerWaalsContact O-CD2 3.24Å; F19-F23 WeakPolarHBondContact O-CD2 3.47Å; F19-F23 PolarHBondContact O-N 3.11Å
20V93.9Very high91.3Very high71 Ų7158.9 Ų58.943%0.4332%0.323SS..Hα-helixtrans-57.4-44.2179171.80000111V16 T24 W116V16-V20 HydrophobicContact CG1-CG2 4.01Å; V16-V20 VanDerWaalsContact O-CB 3.27Å; V16-V20 WeakPolarHBondContact O-CB 3.43Å; V16-V20 WeakPolarHBondContact O-CG2 3.3Å; V16-V20 PolarHBondContact O-N 3.23Å; V20-T24 HydrophobicContact CG1-CG2 4.33Å; V20-T24 VanDerWaalsContact O-CB 3.28Å; V20-T24 WeakPolarHBondContact O-CB 3.18Å; V20-T24 WeakPolarHBondContact O-CG2 3.15Å; V20-T24 PolarHBondContact O-N 3.44Å; V20-T24 PolarHBondContact O-OG1 3.49Å; V20-W116 HydrophobicContact CG1-CH2 4Å
21G91.8Very high90.9Very high0 Ų060.9 Ų60.90%034%0.336CS..Hα-helixtrans-62.8-45.8176.500000113.9G17 L18 F19 T24 G25 A41G17-G21 PolarHBondContact O-N 3.39Å; L18-G21 PolarHBondContact O-N 2.93Å; F19-G21 VanDerWaalsContact C-N 3.31Å; F19-G21 PolarHBondContact O-N 3.01Å; G21-T24 PolarHBondContact O-OG1 3.37Å; G21-G25 PolarHBondContact O-N 3.04Å; G21-A41 CarbonylContact O-C 3.56Å
22L93.1Very high90.4Very high67 Ų6761.7 Ų61.735%0.35134%0.338SS..Hα-helixtrans-67.2-48.3178.7-70.3176.3000112.3L18 F19 G25 I26L18-L22 HydrophobicContact CD1-CD1 3.7Å; L18-L22 HydrophobicContact CD1-CG 4.06Å; L18-L22 HydrophobicContact CG-CD1 4.21Å; L18-L22 WeakPolarHBondContact O-CG 3.35Å; L18-L22 PolarHBondContact O-N 3.24Å; F19-L22 PolarHBondContact O-N 3.13Å; L22-G25 PolarHBondContact O-N 3.38Å; L22-I26 VanDerWaalsContact O-CG1 3.32Å; L22-I26 WeakPolarHBondContact O-CG1 3.42Å; L22-I26 PolarHBondContact O-N 2.89Å
23F93.8Very high89.6Confident133 Ų13366.1 Ų66.158%0.58335%0.346SS*.Hα-helixtrans-61.8-48-179.8-88.4-87.4000111.2F19 G25 I26 C27F19-F23 HydrophobicContact CB-CD2 4.2Å; F19-F23 HydrophobicContact CB-CE2 4.45Å; F19-F23 HydrophobicContact CD1-CD2 4.5Å; F19-F23 HydrophobicContact CD1-CE2 4.08Å; F19-F23 WeakPolarHBondContact O-CB 3.4Å; F19-F23 VanDerWaalsContact O-CD2 3.24Å; F19-F23 WeakPolarHBondContact O-CD2 3.47Å; F19-F23 PolarHBondContact O-N 3.11Å; F23-G25 VanDerWaalsContact C-N 3.35Å; F23-G25 PolarHBondContact O-N 3.34Å; F23-I26 PolarHBondContact O-N 3.01Å; F23-C27 WeakPolarHBondContact O-CB 3.43Å; F23-C27 PolarHBondContact O-N 3.06Å; F23-C27 PolarHBondContact O-SG 3.45Å
24T91.4Very high89.2Confident34 Ų3459.7 Ų59.721%0.20932%0.318CS..Hα-helixtrans-67.9-34.6178.556.50000112.6V20 G21 I26 C27 F28 W116V20-T24 HydrophobicContact CG1-CG2 4.33Å; V20-T24 VanDerWaalsContact O-CB 3.28Å; V20-T24 WeakPolarHBondContact O-CB 3.18Å; V20-T24 WeakPolarHBondContact O-CG2 3.15Å; V20-T24 PolarHBondContact O-N 3.44Å; V20-T24 PolarHBondContact O-OG1 3.49Å; G21-T24 PolarHBondContact O-OG1 3.37Å; T24-I26 VanDerWaalsContact C-N 3.35Å; T24-I26 PolarHBondContact O-N 3.1Å; T24-C27 PolarHBondContact O-N 3.16Å; T24-F28 WeakPolarHBondContact O-CB 3.36Å; T24-F28 WeakPolarHBondContact O-CD2 3.33Å; T24-F28 WeakPolarHBondContact O-CG 3.38Å; T24-F28 PolarHBondContact O-N 3.11Å; T24-W116 VanDerWaalsContact CB-CZ2 3.44Å; T24-W116 HydrophobicContact CG2-CH2 4.04Å; T24-W116 HydrophobicContact CG2-CZ2 3.72Å; T24-W116 WeakPolarHBondContact OG1-CH2 3.47Å; T24-W116 WeakPolarHBondContact OG1-CZ2 3.2Å
25G90.3Very high89.1Confident0 Ų066.1 Ų66.10%034%0.343CS..Hα-helixtrans-57.9-46.6171.900000112.2G21 L22 F23 A29 A38G21-G25 PolarHBondContact O-N 3.04Å; L22-G25 PolarHBondContact O-N 3.38Å; F23-G25 VanDerWaalsContact C-N 3.35Å; F23-G25 PolarHBondContact O-N 3.34Å; G25-A29 VanDerWaalsContact O-CB 3.32Å; G25-A29 WeakPolarHBondContact O-CB 3.36Å; G25-A29 PolarHBondContact O-N 3.47Å; G25-A38 WeakPolarHBondContact O-CB 3.45Å
26I91.6Very high88.8Confident114 Ų11467.5 Ų67.559%0.58535%0.348SS*.Hα-helixtrans-65.1-46.4176.3-64164.9000110.8L22 F23 T24 F28 A29 A30L22-I26 VanDerWaalsContact O-CG1 3.32Å; L22-I26 WeakPolarHBondContact O-CG1 3.42Å; L22-I26 PolarHBondContact O-N 2.89Å; F23-I26 PolarHBondContact O-N 3.01Å; T24-I26 VanDerWaalsContact C-N 3.35Å; T24-I26 PolarHBondContact O-N 3.1Å; I26-F28 PolarHBondContact O-N 3.01Å; I26-A29 PolarHBondContact O-N 3.12Å; I26-A30 WeakPolarHBondContact O-CB 3.34Å; I26-A30 PolarHBondContact O-N 3.5Å
27C90.3Very high88.6Confident64 Ų6463.8 Ų63.843%0.43233%0.326SS..Hα-helixtrans-61.7-42.6178.4-68.50000112.5F23 T24 H31F23-C27 WeakPolarHBondContact O-CB 3.43Å; F23-C27 PolarHBondContact O-N 3.06Å; F23-C27 PolarHBondContact O-SG 3.45Å; T24-C27 PolarHBondContact O-N 3.16Å; C27-H31 VanDerWaalsContact O-CB 3.3Å; C27-H31 WeakPolarHBondContact O-CB 3.44Å; C27-H31 PolarHBondContact O-N 2.98Å
28F87.7Confident88.6Confident32 Ų3263.5 Ų63.514%0.1432%0.322CS..Hα-helixtrans-69.7-34.5178.1-73.3-50.5000112.8T24 I26 F32 R33 N34 A37 A38 V112 W116T24-F28 WeakPolarHBondContact O-CB 3.36Å; T24-F28 WeakPolarHBondContact O-CD2 3.33Å; T24-F28 WeakPolarHBondContact O-CG 3.38Å; T24-F28 PolarHBondContact O-N 3.11Å; I26-F28 PolarHBondContact O-N 3.01Å; F28-F32 HydrophobicContact CD1-CB 3.97Å; F28-F32 AromaticContact CD1-CD2 3.31Å; F28-F32 HydrophobicContact CD1-CD2 3.31Å; F28-F32 AromaticContact CD1-CE2 3.99Å; F28-F32 HydrophobicContact CD1-CE2 3.99Å; F28-F32 AromaticContact CD1-CG 3.82Å; F28-F32 HydrophobicContact CD1-CG 3.82Å; F28-F32 AromaticContact CE1-CD2 3.65Å; F28-F32 HydrophobicContact CE1-CD2 3.65Å; F28-F32 AromaticContact CE1-CE2 3.87Å; F28-F32 HydrophobicContact CE1-CE2 3.87Å; F28-F32 HydrophobicContact CE1-CG 4.22Å; F28-F32 HydrophobicContact CG-CD2 4.35Å; F28-R33 PolarHBondContact O-N 3.22Å; F28-R33 VanDerWaalsContact O-N 3.15Å; F28-N34 HydrophobicContact CB-CB 4.44Å; F28-N34 PolarHBondContact O-N 3.37Å; F28-A37 HydrophobicContact CD2-CB 4.35Å; F28-A37 HydrophobicContact CG-CB 4.36Å; F28-A38 HydrophobicContact CB-CB 4.05Å; F28-V112 HydrophobicContact CD2-CG1 4.5Å; F28-V112 HydrophobicContact CE1-CG1 3.94Å; F28-V112 HydrophobicContact CE2-CG1 3.81Å; F28-V112 HydrophobicContact CZ-CG1 3.5Å; F28-W116 AromaticContact CD2-NE1 3.9Å; F28-W116 HydrophobicContact CE2-CZ2 4.25Å; F28-W116 AromaticContact CE2-NE1 3.28Å; F28-W116 VanDerWaalsContact CE2-NE1 3.28Å
29A87.8Confident88.6Confident41 Ų4166 Ų6634%0.33934%0.338SS..Hα-helixtrans-69.1-47174.400000112G25 I26 A38G25-A29 VanDerWaalsContact O-CB 3.32Å; G25-A29 WeakPolarHBondContact O-CB 3.36Å; G25-A29 PolarHBondContact O-N 3.47Å; I26-A29 PolarHBondContact O-N 3.12Å; A29-A38 HydrophobicContact CB-CB 4.03Å
30A86.1Confident88.4Confident81 Ų8162.5 Ų62.567%0.66932%0.322SS*.Hα-helixtrans-81.8-44-172.800000113.7I26I26-A30 WeakPolarHBondContact O-CB 3.34Å; I26-A30 PolarHBondContact O-N 3.5Å
31H82Confident88.4Confident124 Ų12459.1 Ų59.157%0.57430%0.301SS*.THydrogen-bonded Turntrans-97.5-48.5-170.5-170.164.8000112.6C27C27-H31 VanDerWaalsContact O-CB 3.3Å; C27-H31 WeakPolarHBondContact O-CB 3.44Å; C27-H31 PolarHBondContact O-N 2.98Å
32F78.8Confident88.5Confident47 Ų4762.5 Ų62.521%0.20632%0.319CS..SBendtrans-88.4-10.2-173.1-64.2-76.7000113.9F28 N34 I105F28-F32 HydrophobicContact CD1-CB 3.97Å; F28-F32 AromaticContact CD1-CD2 3.31Å; F28-F32 HydrophobicContact CD1-CD2 3.31Å; F28-F32 AromaticContact CD1-CE2 3.99Å; F28-F32 HydrophobicContact CD1-CE2 3.99Å; F28-F32 AromaticContact CD1-CG 3.82Å; F28-F32 HydrophobicContact CD1-CG 3.82Å; F28-F32 AromaticContact CE1-CD2 3.65Å; F28-F32 HydrophobicContact CE1-CD2 3.65Å; F28-F32 AromaticContact CE1-CE2 3.87Å; F28-F32 HydrophobicContact CE1-CE2 3.87Å; F28-F32 HydrophobicContact CE1-CG 4.22Å; F28-F32 HydrophobicContact CG-CD2 4.35Å; F32-N34 HydrophobicContact CB-CB 4.16Å; F32-N34 PolarHBondContact O-N 3.39Å; F32-N34 PolarHBondContact O-OD1 2.94Å; F32-I105 HydrophobicContact CD1-CG2 4.18Å; F32-I105 VanDerWaalsContact CD1-O 3.23Å; F32-I105 WeakPolarHBondContact CD1-O 3.3Å; F32-I105 HydrophobicContact CE1-CG2 3.52Å; F32-I105 HydrophobicContact CZ-CG2 4.44Å
33R78.1Confident88.5Confident171 Ų17161.3 Ų61.365%0.64531%0.314SS*.  trans52.631.3-172.3-62.2175.360.3100.9-1.3112.9F28 Y35F28-R33 PolarHBondContact O-N 3.22Å; F28-R33 VanDerWaalsContact O-N 3.15Å; R33-Y35 PolarHBondContact O-N 3.2Å
34N82.6Confident88.5Confident3 Ų355 Ų552%0.01629%0.286CS..  trans-98.778-176-78-18.7000111.1F28 F32 N36 A37 A38 G107 E108 N109F28-N34 HydrophobicContact CB-CB 4.44Å; F28-N34 PolarHBondContact O-N 3.37Å; F32-N34 HydrophobicContact CB-CB 4.16Å; F32-N34 PolarHBondContact O-N 3.39Å; F32-N34 PolarHBondContact O-OD1 2.94Å; N34-N36 VanDerWaalsContact C-N 3.31Å; N34-N36 PolarHBondContact O-N 3.46Å; N34-A37 HydrophobicContact CB-CB 4.23Å; N34-A37 PolarHBondContact O-N 3.46Å; N34-A38 VanDerWaalsContact O-CB 3.31Å; N34-A38 WeakPolarHBondContact O-CB 3.38Å; N34-A38 PolarHBondContact O-N 3.05Å; N34-G107 PolarHBondContact ND2-O 2.83Å; N34-G107 PolarHBondContact OD1-O 3.01Å; N34-E108 WeakPolarHBondContact OD1-CA 3.38Å; N34-E108 PolarHBondContact OD1-N 2.92Å; N34-E108 VanDerWaalsContact OD1-N 3.08Å; N34-N109 PolarHBondContact ND2-ND2 3.24Å
35Y87.1Confident88.5Confident137 Ų13753.4 Ų53.454%0.53728%0.276SS..Hα-helixtrans-59.7-41.2-177.4-58.4-68.9000112.4R33 A38 V39R33-Y35 PolarHBondContact O-N 3.2Å; Y35-A38 PolarHBondContact O-N 3.49Å; Y35-V39 VanDerWaalsContact O-CG2 3.3Å; Y35-V39 WeakPolarHBondContact O-CG2 3.27Å; Y35-V39 PolarHBondContact O-N 3.5Å
36N87.4Confident88.6Confident59 Ų5958.6 Ų58.632%0.31630%0.304SS..Hα-helixtrans-55.1-56.5176.4-84-68000112N34 A38 V39 W40 Y91 E108 A113N34-N36 VanDerWaalsContact C-N 3.31Å; N34-N36 PolarHBondContact O-N 3.46Å; N36-A38 VanDerWaalsContact C-N 3.33Å; N36-A38 PolarHBondContact O-N 3.15Å; N36-V39 PolarHBondContact O-N 3.22Å; N36-W40 PolarHBondContact O-N 3.06Å; N36-Y91 HydrophobicContact CB-CE1 4.34Å; N36-Y91 PolarHBondContact OD1-OH 2.83Å; N36-E108 PolarHBondContact ND2-OE1 3.42Å; N36-A113 HydrophobicContact CB-CB 4.5Å
37A89Confident88.6Confident1 Ų154.5 Ų54.51%0.00828%0.282CS..Hα-helixtrans-64.2-38178.900000112.4F28 N34 W40 A41 V112 A113F28-A37 HydrophobicContact CD2-CB 4.35Å; F28-A37 HydrophobicContact CG-CB 4.36Å; N34-A37 HydrophobicContact CB-CB 4.23Å; N34-A37 PolarHBondContact O-N 3.46Å; A37-W40 PolarHBondContact O-N 2.94Å; A37-A41 VanDerWaalsContact O-CB 3.3Å; A37-A41 WeakPolarHBondContact O-CB 3.44Å; A37-A41 PolarHBondContact O-N 3.49Å; A37-V112 HydrophobicContact CB-CB 4.37Å; A37-V112 HydrophobicContact CB-CG1 3.91Å; A37-A113 HydrophobicContact CB-CB 4.33Å
38A91.5Very high88.6Confident5 Ų551.4 Ų51.44%0.04126%0.261CS..Hα-helixtrans-62.4-44.1178.900000112.3G25 F28 A29 N34 Y35 N36 A41 I42G25-A38 WeakPolarHBondContact O-CB 3.45Å; F28-A38 HydrophobicContact CB-CB 4.05Å; A29-A38 HydrophobicContact CB-CB 4.03Å; N34-A38 VanDerWaalsContact O-CB 3.31Å; N34-A38 WeakPolarHBondContact O-CB 3.38Å; N34-A38 PolarHBondContact O-N 3.05Å; Y35-A38 PolarHBondContact O-N 3.49Å; N36-A38 VanDerWaalsContact C-N 3.33Å; N36-A38 PolarHBondContact O-N 3.15Å; A38-A41 PolarHBondContact O-N 3.29Å; A38-I42 VanDerWaalsContact O-CG1 3.31Å; A38-I42 WeakPolarHBondContact O-CG1 3.48Å; A38-I42 PolarHBondContact O-N 2.99Å
39V91.9Very high88.8Confident82 Ų8251.4 Ų51.450%0.49727%0.267SS..Hα-helixtrans-60.7-49.2177.51710000110.5Y35 N36 A41 I42 V43Y35-V39 VanDerWaalsContact O-CG2 3.3Å; Y35-V39 WeakPolarHBondContact O-CG2 3.27Å; Y35-V39 PolarHBondContact O-N 3.5Å; N36-V39 PolarHBondContact O-N 3.22Å; V39-A41 VanDerWaalsContact C-N 3.32Å; V39-A41 PolarHBondContact O-N 3.41Å; V39-I42 PolarHBondContact O-N 2.93Å; V39-V43 HydrophobicContact CG1-CG2 4.28Å; V39-V43 WeakPolarHBondContact O-CB 3.37Å; V39-V43 WeakPolarHBondContact O-CG2 3.37Å; V39-V43 PolarHBondContact O-N 3.34Å
40W91.2Very high88.9Confident47 Ų4750.7 Ų50.718%0.17826%0.261CS..Hα-helixtrans-66.4-32.9178.8-70.6106.2000113.3N36 A37 V43 S44 A83 A87 Y91 W116 T120N36-W40 PolarHBondContact O-N 3.06Å; A37-W40 PolarHBondContact O-N 2.94Å; W40-V43 HydrophobicContact CE3-CG1 4.49Å; W40-S44 WeakPolarHBondContact O-CB 3.22Å; W40-S44 PolarHBondContact O-N 2.93Å; W40-A83 HydrophobicContact CH2-CB 4.33Å; W40-A83 WeakPolarHBondContact CH2-O 3.19Å; W40-A87 HydrophobicContact CD2-CB 4Å; W40-A87 HydrophobicContact CE3-CB 4.09Å; W40-A87 HydrophobicContact CH2-CB 3.42Å; W40-A87 VanDerWaalsContact CH2-CB 3.42Å; W40-A87 HydrophobicContact CZ2-CB 3.28Å; W40-A87 HydrophobicContact CZ3-CB 3.82Å; W40-Y91 AromaticContact CD1-CE2 3.46Å; W40-Y91 VanDerWaalsContact CD1-CE2 3.46Å; W40-Y91 AromaticContact CD1-CZ 3.75Å; W40-Y91 VanDerWaalsContact CD1-OH 3.26Å; W40-Y91 HydrophobicContact CG-CE2 4.36Å; W40-Y91 AromaticContact NE1-CE2 3.24Å; W40-Y91 AromaticContact NE1-CZ 3.48Å; W40-Y91 PolarHBondContact NE1-OH 3.33Å; W40-W116 HydrophobicContact CB-CB 3.62Å; W40-T120 HydrophobicContact CE3-CG2 4.22Å; W40-T120 HydrophobicContact CZ3-CG2 4.22Å; W40-T120 PolarHBondContact O-OG1 3.22Å
41A93.3Very high89.1Confident0 Ų046.9 Ų46.90%023%0.229CC..Hα-helixtrans-65.2-45.417400000112.1G21 A37 A38 V39 S44 G45 W116G21-A41 CarbonylContact O-C 3.56Å; A37-A41 VanDerWaalsContact O-CB 3.3Å; A37-A41 WeakPolarHBondContact O-CB 3.44Å; A37-A41 PolarHBondContact O-N 3.49Å; A38-A41 PolarHBondContact O-N 3.29Å; V39-A41 VanDerWaalsContact C-N 3.32Å; V39-A41 PolarHBondContact O-N 3.41Å; A41-S44 PolarHBondContact O-N 3.21Å; A41-G45 PolarHBondContact O-N 2.95Å; A41-W116 HydrophobicContact CB-CD2 3.64Å; A41-W116 HydrophobicContact CB-CE3 3.82Å; A41-W116 HydrophobicContact CB-CG 4.09Å; A41-W116 HydrophobicContact CB-CH2 4.32Å; A41-W116 HydrophobicContact CB-CZ2 4.22Å; A41-W116 HydrophobicContact CB-CZ3 4.13Å
42I93.6Very high89.4Confident71 Ų7142.6 Ų42.636%0.36421%0.21SC..Hα-helixtrans-64.1-46.3176-66.9168.5000110.3A38 V39 S44 G45 L46A38-I42 VanDerWaalsContact O-CG1 3.31Å; A38-I42 WeakPolarHBondContact O-CG1 3.48Å; A38-I42 PolarHBondContact O-N 2.99Å; V39-I42 PolarHBondContact O-N 2.93Å; I42-S44 PolarHBondContact O-N 3.4Å; I42-G45 CarbonylContact O-C 3.56Å; I42-G45 WeakPolarHBondContact O-CA 3.46Å; I42-G45 PolarHBondContact O-N 3.23Å; I42-G45 VanDerWaalsContact O-N 3.12Å; I42-L46 HydrophobicContact CG2-CD1 4.41Å; I42-L46 WeakPolarHBondContact O-CG 3.49Å; I42-L46 PolarHBondContact O-N 3.35Å
43V93Very high89.9Confident41 Ų4147.4 Ų47.425%0.24823%0.227CC..Hα-helixtrans-59.7-47.8177.9170.20000110.8V39 W40 G45 L46 F47 T120V39-V43 HydrophobicContact CG1-CG2 4.28Å; V39-V43 WeakPolarHBondContact O-CB 3.37Å; V39-V43 WeakPolarHBondContact O-CG2 3.37Å; V39-V43 PolarHBondContact O-N 3.34Å; W40-V43 HydrophobicContact CE3-CG1 4.49Å; V43-G45 VanDerWaalsContact C-N 3.28Å; V43-G45 PolarHBondContact O-N 3.09Å; V43-L46 WeakPolarHBondContact O-CB 3.37Å; V43-L46 PolarHBondContact O-N 2.63Å; V43-L46 VanDerWaalsContact O-N 3.13Å; V43-F47 HydrophobicContact CG1-CD2 3.73Å; V43-F47 HydrophobicContact CG1-CE2 3.51Å; V43-F47 WeakPolarHBondContact O-CD2 3.44Å; V43-F47 PolarHBondContact O-N 2.98Å; V43-T120 HydrophobicContact CG1-CG2 3.93Å
44S92.8Very high90.2Very high1 Ų139.3 Ų39.31%0.00720%0.197CC..Hα-helixtrans-55.5-43.4173-177.60000111.9W40 A41 I42 F47 A48 T120W40-S44 WeakPolarHBondContact O-CB 3.22Å; W40-S44 PolarHBondContact O-N 2.93Å; A41-S44 PolarHBondContact O-N 3.21Å; I42-S44 PolarHBondContact O-N 3.4Å; S44-F47 PolarHBondContact O-N 2.93Å; S44-A48 WeakPolarHBondContact O-CB 3.41Å; S44-A48 PolarHBondContact O-N 3.05Å; S44-T120 WeakPolarHBondContact CB-OG1 3.43Å
45G92.4Very high90.4Very high0 Ų039.2 Ų39.20%020%0.196CC..Hα-helixtrans-59.8-45.4174.300000112.6L18 A41 I42 V43 F47 A48 A49L18-G45 VanDerWaalsContact CD1-O 3.3Å; L18-G45 WeakPolarHBondContact CD1-O 3.43Å; A41-G45 PolarHBondContact O-N 2.95Å; I42-G45 CarbonylContact O-C 3.56Å; I42-G45 WeakPolarHBondContact O-CA 3.46Å; I42-G45 PolarHBondContact O-N 3.23Å; I42-G45 VanDerWaalsContact O-N 3.12Å; V43-G45 VanDerWaalsContact C-N 3.28Å; V43-G45 PolarHBondContact O-N 3.09Å; G45-F47 PolarHBondContact O-N 3.32Å; G45-A48 PolarHBondContact O-N 3.4Å; G45-A49 PolarHBondContact O-N 2.96Å
46L92.4Very high90.3Very high110 Ų11035.5 Ų35.558%0.57619%0.188SC*.Hα-helixtrans-62-41.5176-68.7175.5000112I42 V43 A49 A50I42-L46 HydrophobicContact CG2-CD1 4.41Å; I42-L46 WeakPolarHBondContact O-CG 3.49Å; I42-L46 PolarHBondContact O-N 3.35Å; V43-L46 WeakPolarHBondContact O-CB 3.37Å; V43-L46 PolarHBondContact O-N 2.63Å; V43-L46 VanDerWaalsContact O-N 3.13Å; L46-A49 WeakPolarHBondContact O-CB 3.42Å; L46-A49 PolarHBondContact O-N 3.21Å; L46-A50 PolarHBondContact O-N 2.82Å
47F90.8Very high90.1Very high27 Ų2736.1 Ų36.112%0.11819%0.187CC..Hα-helixtrans-63.9-43.5173.8-79.9-70.5000111.8V43 S44 G45 A49 A50 V51 V76 T120 W123 A124 M127V43-F47 HydrophobicContact CG1-CD2 3.73Å; V43-F47 HydrophobicContact CG1-CE2 3.51Å; V43-F47 WeakPolarHBondContact O-CD2 3.44Å; V43-F47 PolarHBondContact O-N 2.98Å; S44-F47 PolarHBondContact O-N 2.93Å; G45-F47 PolarHBondContact O-N 3.32Å; F47-A49 VanDerWaalsContact C-N 3.31Å; F47-A49 PolarHBondContact O-N 3.29Å; F47-A50 PolarHBondContact O-N 3.44Å; F47-V51 WeakPolarHBondContact O-CG2 3.25Å; F47-V51 PolarHBondContact O-N 2.85Å; F47-V76 HydrophobicContact CE1-CG1 4.12Å; F47-T120 HydrophobicContact CD2-CG2 3.82Å; F47-T120 HydrophobicContact CE2-CG2 3.98Å; F47-W123 HydrophobicContact CB-CB 3.93Å; F47-A124 HydrophobicContact CD1-CB 4.13Å; F47-A124 HydrophobicContact CE1-CB 4.23Å; F47-A124 HydrophobicContact CG-CB 4.46Å; F47-M127 HydrophobicContact CD1-SD 3.64Å; F47-M127 HydrophobicContact CE1-SD 4.06Å
48A91.6Very high89.6Confident0 Ų039.9 Ų39.90%020%0.202CC..Hα-helixtrans-61.4-39.2174.300000111.9L18 S44 G45 V51 L52 W123L18-A48 HydrophobicContact CB-CB 4.34Å; S44-A48 WeakPolarHBondContact O-CB 3.41Å; S44-A48 PolarHBondContact O-N 3.05Å; G45-A48 PolarHBondContact O-N 3.4Å; A48-V51 PolarHBondContact O-N 3.48Å; A48-L52 WeakPolarHBondContact O-CB 3.35Å; A48-L52 PolarHBondContact O-N 3.02Å; A48-W123 HydrophobicContact CB-CD2 4.02Å; A48-W123 HydrophobicContact CB-CE3 4.39Å; A48-W123 HydrophobicContact CB-CG 4.22Å
49A91.9Very high89.1Confident32 Ų3246.1 Ų46.126%0.26423%0.228SC..Hα-helixtrans-60.3-45.2173.600000111.5L18 G45 L46 F47 V51 L52 W53L18-A49 HydrophobicContact CD1-CB 3.71Å; L18-A49 HydrophobicContact CD2-CB 4.27Å; G45-A49 PolarHBondContact O-N 2.96Å; L46-A49 WeakPolarHBondContact O-CB 3.42Å; L46-A49 PolarHBondContact O-N 3.21Å; F47-A49 VanDerWaalsContact C-N 3.31Å; F47-A49 PolarHBondContact O-N 3.29Å; A49-V51 PolarHBondContact O-N 3.5Å; A49-L52 WeakPolarHBondContact O-CB 3.29Å; A49-L52 PolarHBondContact O-N 3.3Å; A49-W53 WeakPolarHBondContact O-CB 3.31Å; A49-W53 PolarHBondContact O-N 2.76Å
50A90Very high88.5Confident25 Ų2550.8 Ų50.821%0.20724%0.237CC..Hα-helixtrans-64.7-40178.800000111.8L46 F47 W53 L54 M127L46-A50 PolarHBondContact O-N 2.82Å; F47-A50 PolarHBondContact O-N 3.44Å; A50-W53 PolarHBondContact O-N 2.95Å; A50-L54 WeakPolarHBondContact O-CB 3.07Å; A50-L54 PolarHBondContact O-N 2.95Å; A50-M127 HydrophobicContact CB-CE 3.66Å; A50-M127 HydrophobicContact CB-SD 4.18Å
51V89.8Confident87.4Confident2 Ų255.4 Ų55.41%0.01226%0.264CS..Hα-helixtrans-62.7-47.2172.9174.30000110.7A14 F47 A48 A49 W53 L54 H55 M127 Y130A14-V51 HydrophobicContact CB-CG1 4.32Å; F47-V51 WeakPolarHBondContact O-CG2 3.25Å; F47-V51 PolarHBondContact O-N 2.85Å; A48-V51 PolarHBondContact O-N 3.48Å; A49-V51 PolarHBondContact O-N 3.5Å; V51-W53 VanDerWaalsContact C-N 3.34Å; V51-W53 PolarHBondContact O-N 2.86Å; V51-L54 WeakPolarHBondContact O-CB 3.48Å; V51-L54 PolarHBondContact O-N 2.89Å; V51-H55 VanDerWaalsContact CG1-CE1 3.43Å; V51-H55 WeakPolarHBondContact CG1-CE1 3.31Å; V51-H55 PolarHBondContact O-N 3.45Å; V51-H55 PolarHBondContact O-ND1 3.34Å; V51-M127 HydrophobicContact CG2-CB 3.63Å; V51-M127 HydrophobicContact CG2-CG 4.25Å; V51-Y130 HydrophobicContact CG1-CD2 4.45Å
52L89.2Confident85.9Confident33 Ų3359 Ų5917%0.17329%0.287CS..Hα-helixtrans-57.9-47.7176.7177.464.3000111.1I11 A14 L18 A48 A49 L54 H55 V56I11-L52 HydrophobicContact CB-CD1 4.38Å; I11-L52 HydrophobicContact CG2-CD1 3.71Å; A14-L52 HydrophobicContact CB-CB 4Å; A14-L52 HydrophobicContact CB-CD1 4.29Å; L18-L52 HydrophobicContact CD2-CD2 4.07Å; A48-L52 WeakPolarHBondContact O-CB 3.35Å; A48-L52 PolarHBondContact O-N 3.02Å; A49-L52 WeakPolarHBondContact O-CB 3.29Å; A49-L52 PolarHBondContact O-N 3.3Å; L52-L54 VanDerWaalsContact C-N 3.29Å; L52-L54 PolarHBondContact O-N 3.37Å; L52-H55 PolarHBondContact O-N 3.3Å; L52-H55 VanDerWaalsContact O-N 3.16Å; L52-V56 HydrophobicContact CD1-CG2 4.36Å; L52-V56 WeakPolarHBondContact O-CG2 3.49Å; L52-V56 PolarHBondContact O-N 3.39Å
53W87.5Confident84.2Confident149 Ų14956.1 Ų56.156%0.56427%0.272SS*.Hα-helixtrans-57.5-42.9177.1-173.3-79.6000111.7A49 A50 V51 H55 V56 K57A49-W53 WeakPolarHBondContact O-CB 3.31Å; A49-W53 PolarHBondContact O-N 2.76Å; A50-W53 PolarHBondContact O-N 2.95Å; V51-W53 VanDerWaalsContact C-N 3.34Å; V51-W53 PolarHBondContact O-N 2.86Å; W53-H55 PolarHBondContact O-N 2.87Å; W53-V56 PolarHBondContact O-N 3.37Å; W53-K57 WeakPolarHBondContact O-CB 3.44Å; W53-K57 WeakPolarHBondContact O-CG 2.98Å; W53-K57 PolarHBondContact O-N 3.45Å
54L86Confident82.7Confident1 Ų163 Ų631%0.00529%0.293CS..Hα-helixtrans-60.5-45176.4-17666.1000111.7A50 V51 L52 K57 Y58 L70 L73 Y134A50-L54 WeakPolarHBondContact O-CB 3.07Å; A50-L54 PolarHBondContact O-N 2.95Å; V51-L54 WeakPolarHBondContact O-CB 3.48Å; V51-L54 PolarHBondContact O-N 2.89Å; L52-L54 VanDerWaalsContact C-N 3.29Å; L52-L54 PolarHBondContact O-N 3.37Å; L54-K57 PolarHBondContact O-N 2.95Å; L54-Y58 WeakPolarHBondContact O-CB 3.44Å; L54-Y58 PolarHBondContact O-N 3.09Å; L54-L70 HydrophobicContact CD1-CG 4.46Å; L54-L73 HydrophobicContact CB-CD2 4.22Å; L54-L73 HydrophobicContact CD1-CD2 3.79Å; L54-L73 HydrophobicContact CD2-CD2 4.16Å; L54-L73 HydrophobicContact CG-CD2 4.27Å; L54-Y134 HydrophobicContact CD1-CD2 4.1Å; L54-Y134 HydrophobicContact CD2-CD2 3.89Å; L54-Y134 HydrophobicContact CD2-CE2 4.01Å; L54-Y134 HydrophobicContact CG-CD2 3.76Å; L54-Y134 HydrophobicContact CG-CE2 3.84Å
55H86.9Confident81.6Confident1 Ų170.2 Ų70.21%0.00533%0.327CS..Hα-helixtrans-65.4-42.5178-72.579.2000112.4L7 R10 I11 V51 L52 W53 K57 Y58 K59 Y130 Y134L7-H55 HydrophobicContact CD1-CB 4.47Å; R10-H55 WeakPolarHBondContact CB-NE2 3.44Å; I11-H55 HydrophobicContact CD1-CB 4.04Å; I11-H55 HydrophobicContact CG1-CB 3.45Å; I11-H55 VanDerWaalsContact CG1-CB 3.45Å; V51-H55 VanDerWaalsContact CG1-CE1 3.43Å; V51-H55 WeakPolarHBondContact CG1-CE1 3.31Å; V51-H55 PolarHBondContact O-N 3.45Å; V51-H55 PolarHBondContact O-ND1 3.34Å; L52-H55 PolarHBondContact O-N 3.3Å; L52-H55 VanDerWaalsContact O-N 3.16Å; W53-H55 PolarHBondContact O-N 2.87Å; H55-K57 VanDerWaalsContact C-N 3.34Å; H55-K57 PolarHBondContact O-N 3.2Å; H55-Y58 PolarHBondContact O-N 3.43Å; H55-K59 PolarHBondContact O-N 2.95Å; H55-Y130 AromaticContact CE1-CD2 3.52Å; H55-Y130 AromaticContact CE1-CE2 3.7Å; H55-Y130 AromaticContact NE2-CD2 3.93Å; H55-Y130 AromaticContact NE2-CE2 3.83Å; H55-Y134 PolarHBondContact CD2-OH 3.08Å
56V85.2Confident80.5Confident59 Ų5972.4 Ų72.436%0.35834%0.335SS..Hα-helixtrans-63-41.9177.4171.80000110.8L52 W53 K59 R60L52-V56 HydrophobicContact CD1-CG2 4.36Å; L52-V56 WeakPolarHBondContact O-CG2 3.49Å; L52-V56 PolarHBondContact O-N 3.39Å; W53-V56 PolarHBondContact O-N 3.37Å; V56-K59 PolarHBondContact O-N 3.25Å; V56-R60 PolarHBondContact O-N 2.93Å
57K82.4Confident79.4Confident71 Ų7169.1 Ų69.131%0.30932%0.318SS..Hα-helixtrans-67.4-40.5176.6-74.9-67-174.2-178.30112.5W53 L54 H55 K59 R60 L63W53-K57 WeakPolarHBondContact O-CB 3.44Å; W53-K57 WeakPolarHBondContact O-CG 2.98Å; W53-K57 PolarHBondContact O-N 3.45Å; L54-K57 PolarHBondContact O-N 2.95Å; H55-K57 VanDerWaalsContact C-N 3.34Å; H55-K57 PolarHBondContact O-N 3.2Å; K57-K59 VanDerWaalsContact C-N 3.31Å; K57-K59 PolarHBondContact O-N 3.41Å; K57-R60 PolarHBondContact O-N 3.42Å; K57-R60 VanDerWaalsContact O-N 3.15Å; K57-L63 HydrophobicContact CB-CD2 4.33Å
58Y79.1Confident78.6Confident81 Ų8172.1 Ų72.132%0.31834%0.34SS..Hα-helixtrans-58.2-43.7173.4-177.4-101000111.7L7 L54 H55 R60 L61 L63 Y134L7-Y58 HydrophobicContact CD1-CD1 3.9Å; L7-Y58 HydrophobicContact CD1-CE1 4.42Å; L7-Y58 HydrophobicContact CD2-CD1 3.94Å; L7-Y58 HydrophobicContact CD2-CE1 4.44Å; L54-Y58 WeakPolarHBondContact O-CB 3.44Å; L54-Y58 PolarHBondContact O-N 3.09Å; H55-Y58 PolarHBondContact O-N 3.43Å; Y58-R60 VanDerWaalsContact C-N 3.26Å; Y58-R60 PolarHBondContact O-N 3.31Å; Y58-L61 PolarHBondContact O-N 2.92Å; Y58-L63 HydrophobicContact CD2-CD1 3.78Å; Y58-L63 HydrophobicContact CG-CD1 4.42Å; Y58-Y134 HydrophobicContact CD1-CD1 4.27Å; Y58-Y134 AromaticContact CD1-CE1 3.76Å; Y58-Y134 HydrophobicContact CD1-CE1 3.76Å; Y58-Y134 AromaticContact CD2-CD1 3.37Å; Y58-Y134 HydrophobicContact CD2-CD1 3.37Å; Y58-Y134 HydrophobicContact CD2-CD2 4.14Å; Y58-Y134 AromaticContact CD2-CE1 3.73Å; Y58-Y134 HydrophobicContact CD2-CE1 3.73Å; Y58-Y134 HydrophobicContact CD2-CE2 4.44Å; Y58-Y134 AromaticContact CD2-CG 3.6Å; Y58-Y134 HydrophobicContact CD2-CG 3.6Å; Y58-Y134 HydrophobicContact CE1-CD1 4.28Å; Y58-Y134 AromaticContact CE1-CE1 3.85Å; Y58-Y134 HydrophobicContact CE1-CE1 3.85Å; Y58-Y134 AromaticContact CE2-CD1 3.37Å; Y58-Y134 HydrophobicContact CE2-CD1 3.37Å; Y58-Y134 AromaticContact CE2-CE1 3.82Å; Y58-Y134 HydrophobicContact CE2-CE1 3.82Å; Y58-Y134 AromaticContact CE2-CG 3.99Å; Y58-Y134 HydrophobicContact CE2-CG 3.99Å; Y58-Y134 AromaticContact CG-CD1 3.84Å; Y58-Y134 HydrophobicContact CG-CD1 3.84Å; Y58-Y134 HydrophobicContact CG-CD2 4.29Å; Y58-Y134 AromaticContact CG-CE1 3.7Å; Y58-Y134 HydrophobicContact CG-CE1 3.7Å; Y58-Y134 HydrophobicContact CG-CE2 4.17Å; Y58-Y134 HydrophobicContact CG-CG 4.14Å; Y58-Y134 AromaticContact CG-CZ 3.86Å; Y58-Y134 AromaticContact CZ-CD1 3.85Å; Y58-Y134 AromaticContact CZ-CE1 3.88Å
59K79.4Confident77.9Confident135 Ų13579.1 Ų79.159%0.58737%0.366SS*.Hα-helixtrans-62-30.2176.5-166.8-178.5178.1-1760113.5L7 H55 V56 K57 L61L7-K59 HydrophobicContact CD2-CB 4.07Å; L7-K59 HydrophobicContact CD2-CG 4.38Å; H55-K59 PolarHBondContact O-N 2.95Å; V56-K59 PolarHBondContact O-N 3.25Å; K57-K59 VanDerWaalsContact C-N 3.31Å; K57-K59 PolarHBondContact O-N 3.41Å; K59-L61 VanDerWaalsContact C-N 3.32Å; K59-L61 PolarHBondContact O-N 2.92Å
60R79.3Confident77.3Confident180 Ų18077.6 Ų77.668%0.67935%0.354SS*.THydrogen-bonded Turntrans-82.90.5-178.5-72.1-174.2178.9-116.43.6114.3V56 K57 Y58 T62V56-R60 PolarHBondContact O-N 2.93Å; K57-R60 PolarHBondContact O-N 3.42Å; K57-R60 VanDerWaalsContact O-N 3.15Å; Y58-R60 VanDerWaalsContact C-N 3.26Å; Y58-R60 PolarHBondContact O-N 3.31Å; R60-T62 PolarHBondContact O-N 3.13Å; R60-T62 PolarHBondContact O-OG1 3.11Å
61L68.8Low76.8Confident145 Ų14583.8 Ų83.876%0.75937%0.372SS*.  trans53.40.3-177-81.985.5000116.4Y58 K59 L63Y58-L61 PolarHBondContact O-N 2.92Å; K59-L61 VanDerWaalsContact C-N 3.32Å; K59-L61 PolarHBondContact O-N 2.92Å; L61-L63 PolarHBondContact O-N 3.25Å
62T63Low76.6Confident76 Ų7688 Ų8847%0.46639%0.394SS..THydrogen-bonded Turntrans-80.726.7-176.6-30.70000113.7R60 R64R60-T62 PolarHBondContact O-N 3.13Å; R60-T62 PolarHBondContact O-OG1 3.11Å; T62-R64 VanDerWaalsContact C-N 3.35Å; T62-R64 PolarHBondContact O-N 2.88Å
63L57.4Low76.4Confident10 Ų1087.7 Ų87.75%0.05239%0.393CS..THydrogen-bonded Turntrans-78-12.6-170.9-84.6170.3000114.8K57 Y58 L61 Q65 W66 L67 L70K57-L63 HydrophobicContact CB-CD2 4.33Å; Y58-L63 HydrophobicContact CD2-CD1 3.78Å; Y58-L63 HydrophobicContact CG-CD1 4.42Å; L61-L63 PolarHBondContact O-N 3.25Å; L63-Q65 PolarHBondContact O-N 3.48Å; L63-W66 HydrophobicContact CD2-CB 4.21Å; L63-W66 WeakPolarHBondContact O-CA 3.43Å; L63-W66 PolarHBondContact O-N 2.85Å; L63-L67 PolarHBondContact O-N 3.23Å; L63-L70 HydrophobicContact CD2-CD1 3.76Å
64R61.5Low76.3Confident185 Ų18581.4 Ų81.470%0.69837%0.37SS*.G310 helixtrans-52.2-50.2-176.1-169.9149.3-161.1-103.92.3113.4T62 W66 Y138 M142T62-R64 VanDerWaalsContact C-N 3.35Å; T62-R64 PolarHBondContact O-N 2.88Å; R64-W66 PolarHBondContact O-N 3.13Å; R64-Y138 WeakPolarHBondContact CA-OH 3.48Å; R64-Y138 WeakPolarHBondContact CB-OH 3.37Å; R64-Y138 WeakPolarHBondContact CD-OH 3.47Å; R64-Y138 WeakPolarHBondContact CG-OH 3.47Å; R64-M142 HydrophobicContact CG-CE 3.97Å; R64-M142 VanDerWaalsContact NE-CE 3.32Å
65Q70.2Confident76.5Confident152 Ų15286.5 Ų86.571%0.7140%0.397SS*.G310 helixtrans-73.1-9.5178.857.4178.3-16.600113.9L63L63-Q65 PolarHBondContact O-N 3.48Å
66W67.7Low76.6Confident46 Ų4690.1 Ų90.117%0.17442%0.419CS..G310 helixtrans-107.3-4.7-170.6-128.871.1000113.9L63 R64 P68 R69 L70L63-W66 HydrophobicContact CD2-CB 4.21Å; L63-W66 WeakPolarHBondContact O-CA 3.43Å; L63-W66 PolarHBondContact O-N 2.85Å; R64-W66 PolarHBondContact O-N 3.13Å; W66-P68 VanDerWaalsContact C-CD 3.4Å; W66-P68 VanDerWaalsContact C-N 3.34Å; W66-R69 HydrophobicContact CD2-CB 3.72Å; W66-R69 HydrophobicContact CD2-CG 4.41Å; W66-R69 HydrophobicContact CE3-CB 3.81Å; W66-R69 HydrophobicContact CG-CB 4.26Å; W66-R69 HydrophobicContact CH2-CB 4.11Å; W66-R69 HydrophobicContact CZ2-CB 4.07Å; W66-R69 HydrophobicContact CZ3-CB 3.99Å; W66-R69 WeakPolarHBondContact O-CA 3.34Å; W66-R69 WeakPolarHBondContact O-CB 3.03Å; W66-R69 PolarHBondContact O-N 3.47Å; W66-L70 HydrophobicContact CB-CD1 4.25Å; W66-L70 HydrophobicContact CE3-CD1 3.66Å; W66-L70 HydrophobicContact CZ3-CD1 4.44Å; W66-L70 WeakPolarHBondContact O-CD1 3.3Å; W66-L70 PolarHBondContact O-N 2.97Å; W66-L70 VanDerWaalsContact O-N 3.13Å
67L69.5Low76.8Confident42 Ų4287.3 Ų87.322%0.2240%0.402CS..Hα-helixtrans-50.2-42.2-178.8-141.169.5000114.7L63 R69 L70 Y138L63-L67 PolarHBondContact O-N 3.23Å; L67-R69 VanDerWaalsContact C-N 3.28Å; L67-R69 PolarHBondContact O-N 3.31Å; L67-L70 WeakPolarHBondContact O-CB 3.44Å; L67-L70 PolarHBondContact O-N 3.34Å; L67-Y138 HydrophobicContact CD1-CD1 3.34Å; L67-Y138 HydrophobicContact CD1-CE1 3.93Å; L67-Y138 HydrophobicContact CD1-CG 4.04Å; L67-Y138 HydrophobicContact CD2-CD1 3.96Å; L67-Y138 HydrophobicContact CD2-CE1 4.18Å; L67-Y138 HydrophobicContact CG-CD1 4.28Å
68P74Confident77.2Confident89 Ų8986.3 Ų86.358%0.57840%0.403SS*.Hα-helixtrans-62.3-36.5175.6-21.633.3000112.6W66 L70 R71W66-P68 VanDerWaalsContact C-CD 3.4Å; W66-P68 VanDerWaalsContact C-N 3.34Å; P68-L70 VanDerWaalsContact C-N 3.35Å; P68-R71 WeakPolarHBondContact O-CB 3.47Å; P68-R71 PolarHBondContact O-N 2.88Å
69R78Confident77.9Confident147 Ų14787.2 Ų87.256%0.55542%0.417SS*.Hα-helixtrans-72.8-26.8179.4-65.3177.3-171.8-178.512.4112.2W66 L67 R71 N72 L73W66-R69 HydrophobicContact CD2-CB 3.72Å; W66-R69 HydrophobicContact CD2-CG 4.41Å; W66-R69 HydrophobicContact CE3-CB 3.81Å; W66-R69 HydrophobicContact CG-CB 4.26Å; W66-R69 HydrophobicContact CH2-CB 4.11Å; W66-R69 HydrophobicContact CZ2-CB 4.07Å; W66-R69 HydrophobicContact CZ3-CB 3.99Å; W66-R69 WeakPolarHBondContact O-CA 3.34Å; W66-R69 WeakPolarHBondContact O-CB 3.03Å; W66-R69 PolarHBondContact O-N 3.47Å; L67-R69 VanDerWaalsContact C-N 3.28Å; L67-R69 PolarHBondContact O-N 3.31Å; R69-R71 PolarHBondContact O-N 3.5Å; R69-N72 PolarHBondContact O-N 3.36Å; R69-L73 PolarHBondContact O-N 2.84Å
70L78.7Confident78.4Confident1 Ų181 Ų811%0.00539%0.39CS..Hα-helixtrans-61.3-33.4171.3-85.578.1000111.4L54 L63 W66 L67 P68 L73 M74 R135L54-L70 HydrophobicContact CD1-CG 4.46Å; L63-L70 HydrophobicContact CD2-CD1 3.76Å; W66-L70 HydrophobicContact CB-CD1 4.25Å; W66-L70 HydrophobicContact CE3-CD1 3.66Å; W66-L70 HydrophobicContact CZ3-CD1 4.44Å; W66-L70 WeakPolarHBondContact O-CD1 3.3Å; W66-L70 PolarHBondContact O-N 2.97Å; W66-L70 VanDerWaalsContact O-N 3.13Å; L67-L70 WeakPolarHBondContact O-CB 3.44Å; L67-L70 PolarHBondContact O-N 3.34Å; P68-L70 VanDerWaalsContact C-N 3.35Å; L70-L73 WeakPolarHBondContact O-CB 3.44Å; L70-L73 PolarHBondContact O-N 3.03Å; L70-M74 PolarHBondContact O-N 3.22Å; L70-R135 HydrophobicContact CD2-CB 4.46Å
71R80.1Confident79Confident154 Ų15473.8 Ų73.858%0.58137%0.365SS*.Hα-helixtrans-64.8-45.7175-171.8175.967-179.41.3112P68 R69 L73 M74 L75P68-R71 WeakPolarHBondContact O-CB 3.47Å; P68-R71 PolarHBondContact O-N 2.88Å; R69-R71 PolarHBondContact O-N 3.5Å; R71-L73 PolarHBondContact O-N 3.33Å; R71-M74 HydrophobicContact CB-CE 4.15Å; R71-M74 HydrophobicContact CG-CE 4.26Å; R71-M74 WeakPolarHBondContact O-CB 3.32Å; R71-M74 PolarHBondContact O-N 2.99Å; R71-L75 PolarHBondContact O-N 2.88Å; R71-L75 VanDerWaalsContact O-N 3.09Å
72N85.1Confident80.2Confident90 Ų9072.4 Ų72.448%0.48136%0.357SS..Hα-helixtrans-63-38.1176-62.7-3.1000110.6R69 M74 L75 V76R69-N72 PolarHBondContact O-N 3.36Å; N72-M74 PolarHBondContact O-N 2.9Å; N72-L75 PolarHBondContact O-N 3.36Å; N72-V76 WeakPolarHBondContact O-CG2 3.43Å; N72-V76 PolarHBondContact O-N 2.9Å
73L85.7Confident81.6Confident27 Ų2770.5 Ų70.514%0.14135%0.349CS..Hα-helixtrans-63.4-39.8175.7-15472.9000112.6L54 R69 L70 R71 G77 M127L54-L73 HydrophobicContact CB-CD2 4.22Å; L54-L73 HydrophobicContact CD1-CD2 3.79Å; L54-L73 HydrophobicContact CD2-CD2 4.16Å; L54-L73 HydrophobicContact CG-CD2 4.27Å; R69-L73 PolarHBondContact O-N 2.84Å; L70-L73 WeakPolarHBondContact O-CB 3.44Å; L70-L73 PolarHBondContact O-N 3.03Å; R71-L73 PolarHBondContact O-N 3.33Å; L73-G77 PolarHBondContact O-N 2.92Å; L73-M127 HydrophobicContact CB-CE 4.42Å; L73-M127 HydrophobicContact CD1-CE 3.17Å; L73-M127 HydrophobicContact CD2-CE 4.31Å; L73-M127 HydrophobicContact CG-CE 3.34Å; L73-M127 HydrophobicContact CG-CG 4.35Å
74M85.4Confident83.3Confident18 Ų1870 Ų709%0.08935%0.347CS..Hα-helixtrans-60.4-44.9172.3-78.9-177.8-63.300111.6L70 R71 N72 G77 C78 F128 S131 R132L70-M74 PolarHBondContact O-N 3.22Å; R71-M74 HydrophobicContact CB-CE 4.15Å; R71-M74 HydrophobicContact CG-CE 4.26Å; R71-M74 WeakPolarHBondContact O-CB 3.32Å; R71-M74 PolarHBondContact O-N 2.99Å; N72-M74 PolarHBondContact O-N 2.9Å; M74-G77 PolarHBondContact O-N 3.39Å; M74-C78 WeakPolarHBondContact O-CB 3.24Å; M74-C78 PolarHBondContact O-N 3.31Å; M74-F128 HydrophobicContact CB-CD2 4.21Å; M74-F128 HydrophobicContact CB-CE2 4.46Å; M74-F128 HydrophobicContact CG-CD2 4.41Å; M74-S131 WeakPolarHBondContact CG-OG 3.33Å; M74-R132 HydrophobicContact SD-CB 4.21Å
75L89Confident84.8Confident108 Ų10866.3 Ų66.357%0.56534%0.336SS*.Hα-helixtrans-63.6-46.2179.3-69.7172.7000111.5R71 N72 G77 C78 V79R71-L75 PolarHBondContact O-N 2.88Å; R71-L75 VanDerWaalsContact O-N 3.09Å; N72-L75 PolarHBondContact O-N 3.36Å; L75-G77 VanDerWaalsContact C-N 3.3Å; L75-G77 PolarHBondContact O-N 3.24Å; L75-C78 WeakPolarHBondContact O-CB 3.36Å; L75-C78 PolarHBondContact O-N 3.37Å; L75-C78 VanDerWaalsContact O-N 3.13Å; L75-V79 WeakPolarHBondContact O-CG2 3.17Å; L75-V79 PolarHBondContact O-N 3.02Å
76V89.9Confident86Confident77 Ų7762 Ų6247%0.46732%0.322SS..Hα-helixtrans-60.4-41.7175.2173.10000111F47 N72 C78 G80 M127F47-V76 HydrophobicContact CE1-CG1 4.12Å; N72-V76 WeakPolarHBondContact O-CG2 3.43Å; N72-V76 PolarHBondContact O-N 2.9Å; V76-C78 VanDerWaalsContact C-N 3.35Å; V76-C78 PolarHBondContact O-N 3.36Å; V76-G80 PolarHBondContact O-N 2.95Å; V76-M127 HydrophobicContact CB-CE 4.29Å; V76-M127 HydrophobicContact CG1-CE 4.04Å
77G88Confident87.1Confident0 Ų060 Ų600%032%0.315CS..Hα-helixtrans-63.6-36.7174.300000113.3L73 M74 L75 Q81L73-G77 PolarHBondContact O-N 2.92Å; M74-G77 PolarHBondContact O-N 3.39Å; L75-G77 VanDerWaalsContact C-N 3.3Å; L75-G77 PolarHBondContact O-N 3.24Å; G77-Q81 VanDerWaalsContact O-CG 3.3Å; G77-Q81 WeakPolarHBondContact O-CG 3.21Å; G77-Q81 PolarHBondContact O-N 3.42Å; G77-Q81 PolarHBondContact O-NE2 3.48Å
78C91Very high88.2Confident50 Ų5059.4 Ų59.434%0.33831%0.312SS..Hα-helixtrans-69.5-47.1176.9-176.40000111.9M74 L75 V76 G80 Q81 L82 F128M74-C78 WeakPolarHBondContact O-CB 3.24Å; M74-C78 PolarHBondContact O-N 3.31Å; L75-C78 WeakPolarHBondContact O-CB 3.36Å; L75-C78 PolarHBondContact O-N 3.37Å; L75-C78 VanDerWaalsContact O-N 3.13Å; V76-C78 VanDerWaalsContact C-N 3.35Å; V76-C78 PolarHBondContact O-N 3.36Å; C78-G80 VanDerWaalsContact C-N 3.28Å; C78-G80 PolarHBondContact O-N 2.85Å; C78-Q81 WeakPolarHBondContact O-CB 3.27Å; C78-Q81 PolarHBondContact O-N 2.91Å; C78-L82 PolarHBondContact O-N 3.35Å; C78-F128 HydrophobicContact CB-CD2 4.41Å
79V93.3Very high89.1Confident100 Ų10058.2 Ų58.261%0.60630%0.303SS*.Hα-helixtrans-60.8-41.5173.8175.20000110.5L75 Q81 L82 A83L75-V79 WeakPolarHBondContact O-CG2 3.17Å; L75-V79 PolarHBondContact O-N 3.02Å; V79-Q81 VanDerWaalsContact C-N 3.34Å; V79-Q81 PolarHBondContact O-N 3.02Å; V79-L82 PolarHBondContact O-N 2.86Å; V79-A83 WeakPolarHBondContact O-CB 3.39Å; V79-A83 PolarHBondContact O-N 3.17Å
80G90.4Very high89.8Confident3 Ų354.8 Ų54.83%0.03130%0.298CS..Hα-helixtrans-61.3-37.3174.800000113.9V76 C78 G84 A124V76-G80 PolarHBondContact O-N 2.95Å; C78-G80 VanDerWaalsContact C-N 3.28Å; C78-G80 PolarHBondContact O-N 2.85Å; G80-G84 PolarHBondContact O-N 3.45Å; G80-A124 VanDerWaalsContact C-CB 3.48Å
81Q91.9Very high90.4Very high30 Ų3055.4 Ų55.414%0.1430%0.301CS..Hα-helixtrans-65.9-46.8174.3-78.3165.350.300111.4G77 C78 V79 A83 G84 F85 A124 F125G77-Q81 VanDerWaalsContact O-CG 3.3Å; G77-Q81 WeakPolarHBondContact O-CG 3.21Å; G77-Q81 PolarHBondContact O-N 3.42Å; G77-Q81 PolarHBondContact O-NE2 3.48Å; C78-Q81 WeakPolarHBondContact O-CB 3.27Å; C78-Q81 PolarHBondContact O-N 2.91Å; V79-Q81 VanDerWaalsContact C-N 3.34Å; V79-Q81 PolarHBondContact O-N 3.02Å; Q81-A83 VanDerWaalsContact C-N 3.31Å; Q81-A83 PolarHBondContact O-N 2.94Å; Q81-G84 PolarHBondContact O-N 3.32Å; Q81-F85 WeakPolarHBondContact O-CB 3.45Å; Q81-F85 PolarHBondContact O-N 3.31Å; Q81-A124 HydrophobicContact CB-CB 4.39Å; Q81-A124 VanDerWaalsContact CG-C 3.49Å; Q81-A124 HydrophobicContact CG-CB 3.71Å; Q81-A124 PolarHBondContact NE2-O 3.2Å; Q81-F125 HydrophobicContact CG-CB 4.14Å
82L94.5Very high90.9Very high116 Ų11651 Ų5161%0.60729%0.288SS*.Hα-helixtrans-60.8-43.8177.5-68.8172.6000110.7C78 V79 F85 S86C78-L82 PolarHBondContact O-N 3.35Å; V79-L82 PolarHBondContact O-N 2.86Å; L82-F85 PolarHBondContact O-N 2.95Å; L82-S86 WeakPolarHBondContact O-CB 3.39Å; L82-S86 PolarHBondContact O-N 3.06Å; L82-S86 PolarHBondContact O-OG 3.49Å
83A93.2Very high91.3Very high35 Ų3550.3 Ų50.329%0.28929%0.287SS..Hα-helixtrans-63.3-43.6176.300000112.6W40 V79 Q81 S86 A87W40-A83 HydrophobicContact CH2-CB 4.33Å; W40-A83 WeakPolarHBondContact CH2-O 3.19Å; V79-A83 WeakPolarHBondContact O-CB 3.39Å; V79-A83 PolarHBondContact O-N 3.17Å; Q81-A83 VanDerWaalsContact C-N 3.31Å; Q81-A83 PolarHBondContact O-N 2.94Å; A83-S86 WeakPolarHBondContact CA-OG 3.49Å; A83-S86 PolarHBondContact O-OG 3.3Å; A83-A87 VanDerWaalsContact O-CB 3.24Å; A83-A87 WeakPolarHBondContact O-CB 3.26Å; A83-A87 PolarHBondContact O-N 3.01Å
84G92.2Very high91.3Very high0 Ų051.4 Ų51.40%029%0.293CS..Hα-helixtrans-66.2-39.2176.600000112.6G80 Q81 M88G80-G84 PolarHBondContact O-N 3.45Å; Q81-G84 PolarHBondContact O-N 3.32Å; G84-M88 WeakPolarHBondContact O-CB 3.3Å; G84-M88 PolarHBondContact O-N 3.38Å
85F93.5Very high91.3Very high108 Ų10850.7 Ų50.747%0.47429%0.29SS..Hα-helixtrans-68-45.1175.8-176.2-101.7000111.6Q81 L82 A87 M88 V89Q81-F85 WeakPolarHBondContact O-CB 3.45Å; Q81-F85 PolarHBondContact O-N 3.31Å; L82-F85 PolarHBondContact O-N 2.95Å; F85-A87 VanDerWaalsContact C-N 3.33Å; F85-A87 PolarHBondContact O-N 3.45Å; F85-M88 HydrophobicContact CD2-CE 3.85Å; F85-M88 HydrophobicContact CE2-CE 3.82Å; F85-M88 WeakPolarHBondContact O-CB 3.31Å; F85-M88 PolarHBondContact O-N 2.88Å; F85-V89 HydrophobicContact CD1-CG2 4.4Å; F85-V89 HydrophobicContact CE1-CG2 4.01Å; F85-V89 HydrophobicContact CZ-CG2 4.09Å; F85-V89 WeakPolarHBondContact O-CG2 3.15Å; F85-V89 PolarHBondContact O-N 3.12Å
86S94.1Very high91.2Very high60 Ų6050.9 Ų50.942%0.4229%0.29SS..Hα-helixtrans-61.3-43.5175.462.90000111.1L82 A83 M88 V89 T90L82-S86 WeakPolarHBondContact O-CB 3.39Å; L82-S86 PolarHBondContact O-N 3.06Å; L82-S86 PolarHBondContact O-OG 3.49Å; A83-S86 WeakPolarHBondContact CA-OG 3.49Å; A83-S86 PolarHBondContact O-OG 3.3Å; S86-M88 VanDerWaalsContact C-N 3.34Å; S86-M88 PolarHBondContact O-N 3.43Å; S86-V89 PolarHBondContact O-N 2.9Å; S86-T90 WeakPolarHBondContact O-CB 3.29Å; S86-T90 PolarHBondContact O-N 3.37Å; S86-T90 PolarHBondContact O-OG1 2.88Å
87A92.2Very high91.2Very high4 Ų452.1 Ų52.13%0.03330%0.298CS..Hα-helixtrans-57.8-46.8175.600000111.9W40 A83 F85 V89 T90 Y91W40-A87 HydrophobicContact CD2-CB 4Å; W40-A87 HydrophobicContact CE3-CB 4.09Å; W40-A87 HydrophobicContact CH2-CB 3.42Å; W40-A87 VanDerWaalsContact CH2-CB 3.42Å; W40-A87 HydrophobicContact CZ2-CB 3.28Å; W40-A87 HydrophobicContact CZ3-CB 3.82Å; A83-A87 VanDerWaalsContact O-CB 3.24Å; A83-A87 WeakPolarHBondContact O-CB 3.26Å; A83-A87 PolarHBondContact O-N 3.01Å; F85-A87 VanDerWaalsContact C-N 3.33Å; F85-A87 PolarHBondContact O-N 3.45Å; A87-V89 PolarHBondContact O-N 3.38Å; A87-T90 PolarHBondContact O-N 2.85Å; A87-Y91 HydrophobicContact CB-CD2 4.29Å; A87-Y91 HydrophobicContact CB-CE2 4.12Å; A87-Y91 WeakPolarHBondContact O-CB 3.34Å; A87-Y91 WeakPolarHBondContact O-CD2 3.06Å; A87-Y91 PolarHBondContact O-N 3.41Å
88M91.2Very high90.9Very high30 Ų3057.5 Ų57.515%0.14832%0.324CS..Hα-helixtrans-57.7-50.1177.5-175.4-174.572.100111.2G84 F85 S86 T90 Y91 I92 W118G84-M88 WeakPolarHBondContact O-CB 3.3Å; G84-M88 PolarHBondContact O-N 3.38Å; F85-M88 HydrophobicContact CD2-CE 3.85Å; F85-M88 HydrophobicContact CE2-CE 3.82Å; F85-M88 WeakPolarHBondContact O-CB 3.31Å; F85-M88 PolarHBondContact O-N 2.88Å; S86-M88 VanDerWaalsContact C-N 3.34Å; S86-M88 PolarHBondContact O-N 3.43Å; M88-T90 PolarHBondContact O-N 3.42Å; M88-Y91 PolarHBondContact O-N 3.34Å; M88-I92 HydrophobicContact CG-CD1 3.85Å; M88-I92 WeakPolarHBondContact O-CB 3.41Å; M88-I92 WeakPolarHBondContact O-CG1 3.35Å; M88-I92 PolarHBondContact O-N 3.47Å; M88-W118 HydrophobicContact SD-CE3 3.47Å; M88-W118 HydrophobicContact SD-CZ3 3.92Å
89V94.3Very high90.2Very high65 Ų6565.8 Ų65.839%0.39435%0.349SS..Hα-helixtrans-60.4-48.3178.4175.30000110.7F85 S86 A87 Y91 I92 T93F85-V89 HydrophobicContact CD1-CG2 4.4Å; F85-V89 HydrophobicContact CE1-CG2 4.01Å; F85-V89 HydrophobicContact CZ-CG2 4.09Å; F85-V89 WeakPolarHBondContact O-CG2 3.15Å; F85-V89 PolarHBondContact O-N 3.12Å; S86-V89 PolarHBondContact O-N 2.9Å; A87-V89 PolarHBondContact O-N 3.38Å; V89-Y91 PolarHBondContact O-N 2.88Å; V89-I92 PolarHBondContact O-N 3.28Å; V89-T93 PolarHBondContact O-N 3.01Å; V89-T93 PolarHBondContact O-OG1 2.82Å
90T93Very high88.8Confident74 Ų7463.2 Ų63.245%0.45433%0.33SS..Hα-helixtrans-58.4-44.6179.3-60.20000112S86 A87 M88 T93 L94S86-T90 WeakPolarHBondContact O-CB 3.29Å; S86-T90 PolarHBondContact O-N 3.37Å; S86-T90 PolarHBondContact O-OG1 2.88Å; A87-T90 PolarHBondContact O-N 2.85Å; M88-T90 PolarHBondContact O-N 3.42Å; T90-T93 PolarHBondContact O-N 3.29Å; T90-L94 HydrophobicContact CG2-CD1 3.68Å; T90-L94 WeakPolarHBondContact O-CB 3.28Å; T90-L94 WeakPolarHBondContact O-CD1 2.92Å; T90-L94 WeakPolarHBondContact O-CG 3.46Å; T90-L94 PolarHBondContact O-N 2.99Å
91Y90.1Very high87.3Confident14 Ų1465 Ų656%0.05535%0.349CS..Hα-helixtrans-75.5-29.7179.9-68.4-56.4000113.9N36 W40 A87 M88 V89 L94 G95 F110 A113N36-Y91 HydrophobicContact CB-CE1 4.34Å; N36-Y91 PolarHBondContact OD1-OH 2.83Å; W40-Y91 AromaticContact CD1-CE2 3.46Å; W40-Y91 VanDerWaalsContact CD1-CE2 3.46Å; W40-Y91 AromaticContact CD1-CZ 3.75Å; W40-Y91 VanDerWaalsContact CD1-OH 3.26Å; W40-Y91 HydrophobicContact CG-CE2 4.36Å; W40-Y91 AromaticContact NE1-CE2 3.24Å; W40-Y91 AromaticContact NE1-CZ 3.48Å; W40-Y91 PolarHBondContact NE1-OH 3.33Å; A87-Y91 HydrophobicContact CB-CD2 4.29Å; A87-Y91 HydrophobicContact CB-CE2 4.12Å; A87-Y91 WeakPolarHBondContact O-CB 3.34Å; A87-Y91 WeakPolarHBondContact O-CD2 3.06Å; A87-Y91 PolarHBondContact O-N 3.41Å; M88-Y91 PolarHBondContact O-N 3.34Å; V89-Y91 PolarHBondContact O-N 2.88Å; Y91-L94 HydrophobicContact CD1-CD1 4.03Å; Y91-L94 HydrophobicContact CE1-CD1 4.34Å; Y91-G95 PolarHBondContact O-N 2.9Å; Y91-F110 HydrophobicContact CD1-CB 4.19Å; Y91-F110 AromaticContact CD1-CD1 3.85Å; Y91-F110 HydrophobicContact CD1-CD1 3.85Å; Y91-F110 HydrophobicContact CD1-CG 4.45Å; Y91-F110 HydrophobicContact CE1-CD1 4.07Å; Y91-A113 HydrophobicContact CD1-CB 3.78Å; Y91-A113 HydrophobicContact CD2-CB 3.76Å; Y91-A113 HydrophobicContact CE1-CB 3.7Å; Y91-A113 HydrophobicContact CE2-CB 3.69Å; Y91-A113 HydrophobicContact CG-CB 3.84Å
92I91.3Very high85.7Confident62 Ų6270.2 Ų70.232%0.31838%0.377SS..Hα-helixtrans-60.9-50.7167.9-71.1166.3000109.2M88 V89 L94 G95 I96 L114M88-I92 HydrophobicContact CG-CD1 3.85Å; M88-I92 WeakPolarHBondContact O-CB 3.41Å; M88-I92 WeakPolarHBondContact O-CG1 3.35Å; M88-I92 PolarHBondContact O-N 3.47Å; V89-I92 PolarHBondContact O-N 3.28Å; I92-L94 PolarHBondContact O-N 3.3Å; I92-G95 PolarHBondContact O-N 2.8Å; I92-I96 HydrophobicContact CG2-CD1 3.77Å; I92-I96 VanDerWaalsContact O-CG1 3.31Å; I92-I96 WeakPolarHBondContact O-CG1 2.93Å; I92-I96 PolarHBondContact O-N 3.22Å; I92-L114 HydrophobicContact CB-CD1 4.34Å; I92-L114 HydrophobicContact CD1-CD1 4.33Å; I92-L114 HydrophobicContact CG1-CD1 3.31Å; I92-L114 HydrophobicContact CG1-CG 4.1Å
93T92.4Very high83.7Confident76 Ų7669.9 Ų69.947%0.46638%0.384SS..Hα-helixtrans-61-46.9179.7-56.30000111.5V89 T90 G95 I96 V97V89-T93 PolarHBondContact O-N 3.01Å; V89-T93 PolarHBondContact O-OG1 2.82Å; T90-T93 PolarHBondContact O-N 3.29Å; T93-G95 VanDerWaalsContact C-N 3.35Å; T93-G95 PolarHBondContact O-N 2.98Å; T93-I96 PolarHBondContact O-N 2.6Å; T93-V97 HydrophobicContact CG2-CG2 4.21Å; T93-V97 WeakPolarHBondContact O-CB 3.22Å; T93-V97 VanDerWaalsContact O-CG2 3.26Å; T93-V97 WeakPolarHBondContact O-CG2 3.43Å; T93-V97 PolarHBondContact O-N 3.48Å
94L87.4Confident81.9Confident50 Ų5073.8 Ų73.826%0.26240%0.398SS..Hα-helixtrans-60.5-42.6175.9-82.9154.4000112.1T90 Y91 I92 I96 V97 M98 F110T90-L94 HydrophobicContact CG2-CD1 3.68Å; T90-L94 WeakPolarHBondContact O-CB 3.28Å; T90-L94 WeakPolarHBondContact O-CD1 2.92Å; T90-L94 WeakPolarHBondContact O-CG 3.46Å; T90-L94 PolarHBondContact O-N 2.99Å; Y91-L94 HydrophobicContact CD1-CD1 4.03Å; Y91-L94 HydrophobicContact CE1-CD1 4.34Å; I92-L94 PolarHBondContact O-N 3.3Å; L94-I96 VanDerWaalsContact C-N 3.34Å; L94-I96 PolarHBondContact O-N 3.01Å; L94-V97 PolarHBondContact O-N 3.48Å; L94-M98 VanDerWaalsContact O-CB 3.28Å; L94-M98 WeakPolarHBondContact O-CB 3.49Å; L94-M98 WeakPolarHBondContact O-CG 3.36Å; L94-M98 PolarHBondContact O-N 2.95Å; L94-F110 HydrophobicContact CB-CB 4.34Å; L94-F110 HydrophobicContact CB-CD1 4.25Å; L94-F110 HydrophobicContact CB-CD2 4.11Å; L94-F110 HydrophobicContact CB-CG 3.96Å; L94-F110 HydrophobicContact CD1-CD1 4.34Å; L94-F110 HydrophobicContact CD1-CE1 4.44Å; L94-F110 HydrophobicContact CD2-CE1 4.47Å; L94-F110 HydrophobicContact CD2-CZ 4.33Å
95G84.9Confident80.3Confident2 Ų278.5 Ų78.52%0.02142%0.422CS..Hα-helixtrans-61.1-41.4177.200000112.6Y91 I92 T93 R99Y91-G95 PolarHBondContact O-N 2.9Å; I92-G95 PolarHBondContact O-N 2.8Å; T93-G95 VanDerWaalsContact C-N 3.35Å; T93-G95 PolarHBondContact O-N 2.98Å; G95-R99 PolarHBondContact O-N 3.21Å
96I87.3Confident78.5Confident112 Ų11281.1 Ų81.157%0.57443%0.43SS*.Hα-helixtrans-70.1-47.2177.4-65.1166.4000111.2I92 T93 L94 R99I92-I96 HydrophobicContact CG2-CD1 3.77Å; I92-I96 VanDerWaalsContact O-CG1 3.31Å; I92-I96 WeakPolarHBondContact O-CG1 2.93Å; I92-I96 PolarHBondContact O-N 3.22Å; T93-I96 PolarHBondContact O-N 2.6Å; L94-I96 VanDerWaalsContact C-N 3.34Å; L94-I96 PolarHBondContact O-N 3.01Å; I96-R99 PolarHBondContact O-N 3.46Å
97V88.3Confident77.2Confident104 Ų10479.9 Ų79.963%0.6343%0.427SS*.Hα-helixtrans-67.8-46.6-175.5169.90000111.6T93 L94 R99T93-V97 HydrophobicContact CG2-CG2 4.21Å; T93-V97 WeakPolarHBondContact O-CB 3.22Å; T93-V97 VanDerWaalsContact O-CG2 3.26Å; T93-V97 WeakPolarHBondContact O-CG2 3.43Å; T93-V97 PolarHBondContact O-N 3.48Å; L94-V97 PolarHBondContact O-N 3.48Å; V97-R99 PolarHBondContact O-N 3.28Å
98M82.7Confident76.1Confident112 Ų11284.4 Ų84.455%0.55245%0.447SS*.THydrogen-bonded Turntrans-76.5-3.6-178.3-66.9-68.9-171.700112.9L94 Q100 F110L94-M98 VanDerWaalsContact O-CB 3.28Å; L94-M98 WeakPolarHBondContact O-CB 3.49Å; L94-M98 WeakPolarHBondContact O-CG 3.36Å; L94-M98 PolarHBondContact O-N 2.95Å; M98-Q100 HydrophobicContact CB-CG 3.99Å; M98-Q100 PolarHBondContact O-N 2.88Å; M98-F110 HydrophobicContact CB-CE2 4.29Å; M98-F110 HydrophobicContact CG-CD2 4.5Å; M98-F110 HydrophobicContact CG-CE2 3.94Å
99R75.5Confident75.6Confident224 Ų22483.6 Ų83.685%0.84544%0.443SS*.THydrogen-bonded Turntrans48.828.8-179.2-65.7-97.4-114.3-116.1-4.7112.3G95 I96 V97 G101G95-R99 PolarHBondContact O-N 3.21Å; I96-R99 PolarHBondContact O-N 3.46Å; V97-R99 PolarHBondContact O-N 3.28Å; R99-G101 PolarHBondContact O-N 3.43Å
100Q65.2Low75.1Confident47 Ų4781.4 Ų81.422%0.2243%0.428CS..  trans-68.9119-178.8-79.1-175.1-10.900108.6M98 E108 F110 W111M98-Q100 HydrophobicContact CB-CG 3.99Å; M98-Q100 PolarHBondContact O-N 2.88Å; Q100-E108 PolarHBondContact NE2-O 3.42Å; Q100-E108 PolarHBondContact OE1-O 3.29Å; Q100-E108 VanDerWaalsContact OE1-O 3.08Å; Q100-F110 VanDerWaalsContact CD-CD2 3.5Å; Q100-W111 PolarHBondContact O-NE1 2.79Å
101G58.8Low74.8Confident41 Ų4182 Ų8242%0.42342%0.422SS..  trans-62.7144.8170.200000110.5R99 S103 M104R99-G101 PolarHBondContact O-N 3.43Å; G101-S103 PolarHBondContact O-N 2.91Å; G101-M104 PolarHBondContact O-N 3.39Å
102L57.6Low74.7Confident138 Ų13883.2 Ų83.272%0.72343%0.431SS*.THydrogen-bonded Turntrans-52.9-15.8169.2-75.6154.5000113.2W111L102-W111 HydrophobicContact CD2-CB 4.07Å; L102-W111 HydrophobicContact CD2-CD2 4.01Å; L102-W111 HydrophobicContact CD2-CG 3.79Å; L102-W111 HydrophobicContact CG-CG 4.43Å
103S52.2Low74.6Confident110 Ų11080.3 Ų80.377%0.76942%0.416SS*.THydrogen-bonded Turntrans-80.2-15.6-175.454.90000114.8G101 I105G101-S103 PolarHBondContact O-N 2.91Å; S103-I105 PolarHBondContact O-N 2.85Å; S103-I105 VanDerWaalsContact O-N 3.15Å
104M55.6Low74.5Confident117 Ų11778.1 Ų78.158%0.57640%0.402SS*.  trans-77.2107172-136.6166.4-171.700106.8G101 N109G101-M104 PolarHBondContact O-N 3.39Å; M104-N109 PolarHBondContact O-ND2 2.92Å; M104-N109 PolarHBondContact O-OD1 3.34Å
105I58.4Low74.7Confident99 Ų9979.4 Ų79.451%0.50841%0.412SS..  trans-96.8-25.4174-83.5166.5000110.2F32 S103 N109F32-I105 HydrophobicContact CD1-CG2 4.18Å; F32-I105 VanDerWaalsContact CD1-O 3.23Å; F32-I105 WeakPolarHBondContact CD1-O 3.3Å; F32-I105 HydrophobicContact CE1-CG2 3.52Å; F32-I105 HydrophobicContact CZ-CG2 4.44Å; S103-I105 PolarHBondContact O-N 2.85Å; S103-I105 VanDerWaalsContact O-N 3.15Å; I105-N109 WeakPolarHBondContact CA-ND2 3.24Å; I105-N109 PolarHBondContact O-ND2 3.43Å
106Y56.9Low74.9Confident163 Ų16380.6 Ų80.664%0.63942%0.415SS*.SBendtrans-99.1125.5178.1-60-79.4000110.4
107G66.3Low75.2Confident34 Ų3475.2 Ų75.235%0.35139%0.388SS..SBendtrans93.9177.6-176.100000113.8N34 N109N34-G107 PolarHBondContact ND2-O 2.83Å; N34-G107 PolarHBondContact OD1-O 3.01Å; G107-N109 PolarHBondContact O-N 3.32Å; G107-N109 PolarHBondContact O-ND2 2.86Å; G107-N109 PolarHBondContact O-OD1 2.84Å
108E69.5Low75.3Confident99 Ų9975.8 Ų75.846%0.46338%0.379SS..  trans-60.294.9-167.6-73.6-165.3103.500113.4N34 N36 Q100N34-E108 WeakPolarHBondContact OD1-CA 3.38Å; N34-E108 PolarHBondContact OD1-N 2.92Å; N34-E108 VanDerWaalsContact OD1-N 3.08Å; N36-E108 PolarHBondContact ND2-OE1 3.42Å; Q100-E108 PolarHBondContact NE2-O 3.42Å; Q100-E108 PolarHBondContact OE1-O 3.29Å; Q100-E108 VanDerWaalsContact OE1-O 3.08Å
109N79.5Confident75.7Confident13 Ų1373.5 Ų73.57%0.0737%0.367CS..  trans-97.1102.7-178.7-61.9-39.9000111.5N34 M104 I105 G107 W111 V112 A113N34-N109 PolarHBondContact ND2-ND2 3.24Å; M104-N109 PolarHBondContact O-ND2 2.92Å; M104-N109 PolarHBondContact O-OD1 3.34Å; I105-N109 WeakPolarHBondContact CA-ND2 3.24Å; I105-N109 PolarHBondContact O-ND2 3.43Å; G107-N109 PolarHBondContact O-N 3.32Å; G107-N109 PolarHBondContact O-ND2 2.86Å; G107-N109 PolarHBondContact O-OD1 2.84Å; N109-W111 VanDerWaalsContact C-N 3.26Å; N109-W111 PolarHBondContact O-N 3.42Å; N109-V112 HydrophobicContact CB-CB 4.31Å; N109-V112 HydrophobicContact CB-CG2 3.9Å; N109-V112 PolarHBondContact O-N 2.85Å; N109-A113 PolarHBondContact O-N 3.25Å
110F85Confident76.5Confident18 Ų1862.8 Ų62.88%0.07933%0.327CS..Hα-helixtrans-65.5-29.2179.7-56.8-57.9000112.8Y91 L94 M98 Q100 V112 A113 L114Y91-F110 HydrophobicContact CD1-CB 4.19Å; Y91-F110 AromaticContact CD1-CD1 3.85Å; Y91-F110 HydrophobicContact CD1-CD1 3.85Å; Y91-F110 HydrophobicContact CD1-CG 4.45Å; Y91-F110 HydrophobicContact CE1-CD1 4.07Å; L94-F110 HydrophobicContact CB-CB 4.34Å; L94-F110 HydrophobicContact CB-CD1 4.25Å; L94-F110 HydrophobicContact CB-CD2 4.11Å; L94-F110 HydrophobicContact CB-CG 3.96Å; L94-F110 HydrophobicContact CD1-CD1 4.34Å; L94-F110 HydrophobicContact CD1-CE1 4.44Å; L94-F110 HydrophobicContact CD2-CE1 4.47Å; L94-F110 HydrophobicContact CD2-CZ 4.33Å; M98-F110 HydrophobicContact CB-CE2 4.29Å; M98-F110 HydrophobicContact CG-CD2 4.5Å; M98-F110 HydrophobicContact CG-CE2 3.94Å; Q100-F110 VanDerWaalsContact CD-CD2 3.5Å; F110-V112 VanDerWaalsContact C-N 3.33Å; F110-V112 PolarHBondContact O-N 3.36Å; F110-A113 PolarHBondContact O-N 2.9Å; F110-L114 WeakPolarHBondContact O-CB 3.32Å; F110-L114 PolarHBondContact O-N 3.43Å
111W86Confident77.7Confident86 Ų8664.2 Ų64.233%0.32633%0.331SS..Hα-helixtrans-61.5-38.9175-67.7110.1000113Q100 L102 N109 L114 V115Q100-W111 PolarHBondContact O-NE1 2.79Å; L102-W111 HydrophobicContact CD2-CB 4.07Å; L102-W111 HydrophobicContact CD2-CD2 4.01Å; L102-W111 HydrophobicContact CD2-CG 3.79Å; L102-W111 HydrophobicContact CG-CG 4.43Å; N109-W111 VanDerWaalsContact C-N 3.26Å; N109-W111 PolarHBondContact O-N 3.42Å; W111-L114 HydrophobicContact CE3-CD1 3.96Å; W111-L114 HydrophobicContact CZ3-CD1 4.02Å; W111-L114 WeakPolarHBondContact O-CB 3.32Å; W111-L114 PolarHBondContact O-N 2.8Å; W111-V115 PolarHBondContact O-N 3.31Å
112V87.5Confident79.3Confident41 Ų4166 Ų6625%0.24833%0.327CS..Hα-helixtrans-69.2-43.4176.9-179.90000109.8F28 A37 N109 F110 L114 V115 W116F28-V112 HydrophobicContact CD2-CG1 4.5Å; F28-V112 HydrophobicContact CE1-CG1 3.94Å; F28-V112 HydrophobicContact CE2-CG1 3.81Å; F28-V112 HydrophobicContact CZ-CG1 3.5Å; A37-V112 HydrophobicContact CB-CB 4.37Å; A37-V112 HydrophobicContact CB-CG1 3.91Å; N109-V112 HydrophobicContact CB-CB 4.31Å; N109-V112 HydrophobicContact CB-CG2 3.9Å; N109-V112 PolarHBondContact O-N 2.85Å; F110-V112 VanDerWaalsContact C-N 3.33Å; F110-V112 PolarHBondContact O-N 3.36Å; V112-L114 VanDerWaalsContact C-N 3.27Å; V112-L114 PolarHBondContact O-N 3.16Å; V112-V115 PolarHBondContact O-N 3.47Å; V112-W116 PolarHBondContact O-N 2.94Å; V112-W116 VanDerWaalsContact O-N 3.13Å
113A89.7Confident80.9Confident0 Ų060.7 Ų60.70%030%0.297CS..Hα-helixtrans-61-35.8175.800000112.4N36 A37 Y91 N109 F110 W116 G117N36-A113 HydrophobicContact CB-CB 4.5Å; A37-A113 HydrophobicContact CB-CB 4.33Å; Y91-A113 HydrophobicContact CD1-CB 3.78Å; Y91-A113 HydrophobicContact CD2-CB 3.76Å; Y91-A113 HydrophobicContact CE1-CB 3.7Å; Y91-A113 HydrophobicContact CE2-CB 3.69Å; Y91-A113 HydrophobicContact CG-CB 3.84Å; N109-A113 PolarHBondContact O-N 3.25Å; F110-A113 PolarHBondContact O-N 2.9Å; A113-W116 PolarHBondContact O-N 2.88Å; A113-G117 PolarHBondContact O-N 3.48Å
114L90.9Very high82.7Confident31 Ų3155.5 Ų55.516%0.16226%0.26CS..Hα-helixtrans-59.3-47.9172.4177.9167.3000111.8I92 F110 W111 V112 W116 G117 W118I92-L114 HydrophobicContact CB-CD1 4.34Å; I92-L114 HydrophobicContact CD1-CD1 4.33Å; I92-L114 HydrophobicContact CG1-CD1 3.31Å; I92-L114 HydrophobicContact CG1-CG 4.1Å; F110-L114 WeakPolarHBondContact O-CB 3.32Å; F110-L114 PolarHBondContact O-N 3.43Å; W111-L114 HydrophobicContact CE3-CD1 3.96Å; W111-L114 HydrophobicContact CZ3-CD1 4.02Å; W111-L114 WeakPolarHBondContact O-CB 3.32Å; W111-L114 PolarHBondContact O-N 2.8Å; V112-L114 VanDerWaalsContact C-N 3.27Å; V112-L114 PolarHBondContact O-N 3.16Å; L114-W116 PolarHBondContact O-N 2.9Å; L114-G117 PolarHBondContact O-N 2.9Å; L114-G117 VanDerWaalsContact O-N 3.16Å; L114-W118 PolarHBondContact O-N 3.34Å
115V91.3Very high84.5Confident77 Ų7754.7 Ų54.747%0.46725%0.254SS..Hα-helixtrans-59.7-39.5177.6175.10000110.7W111 V112 W118 M119W111-V115 PolarHBondContact O-N 3.31Å; V112-V115 PolarHBondContact O-N 3.47Å; V115-W118 WeakPolarHBondContact O-CB 3.31Å; V115-W118 PolarHBondContact O-N 3.13Å; V115-M119 WeakPolarHBondContact O-CG 3.4Å; V115-M119 PolarHBondContact O-N 3.35Å
116W90Very high86Confident26 Ų2651 Ų5110%0.09824%0.238CC..Hα-helixtrans-71.8-34.6176-72.3110.8000113.9V20 T24 F28 W40 A41 V112 A113 L114 M119 T120V20-W116 HydrophobicContact CG1-CH2 4Å; T24-W116 VanDerWaalsContact CB-CZ2 3.44Å; T24-W116 HydrophobicContact CG2-CH2 4.04Å; T24-W116 HydrophobicContact CG2-CZ2 3.72Å; T24-W116 WeakPolarHBondContact OG1-CH2 3.47Å; T24-W116 WeakPolarHBondContact OG1-CZ2 3.2Å; F28-W116 AromaticContact CD2-NE1 3.9Å; F28-W116 HydrophobicContact CE2-CZ2 4.25Å; F28-W116 AromaticContact CE2-NE1 3.28Å; F28-W116 VanDerWaalsContact CE2-NE1 3.28Å; W40-W116 HydrophobicContact CB-CB 3.62Å; A41-W116 HydrophobicContact CB-CD2 3.64Å; A41-W116 HydrophobicContact CB-CE3 3.82Å; A41-W116 HydrophobicContact CB-CG 4.09Å; A41-W116 HydrophobicContact CB-CH2 4.32Å; A41-W116 HydrophobicContact CB-CZ2 4.22Å; A41-W116 HydrophobicContact CB-CZ3 4.13Å; V112-W116 PolarHBondContact O-N 2.94Å; V112-W116 VanDerWaalsContact O-N 3.13Å; A113-W116 PolarHBondContact O-N 2.88Å; L114-W116 PolarHBondContact O-N 2.9Å; W116-M119 HydrophobicContact CE3-CB 4.23Å; W116-M119 PolarHBondContact O-N 3.33Å; W116-T120 WeakPolarHBondContact O-CB 3.43Å; W116-T120 PolarHBondContact O-N 3.14Å; W116-T120 PolarHBondContact O-OG1 2.86Å
117G91.5Very high87.4Confident0 Ų043.3 Ų43.30%021%0.208CC..Hα-helixtrans-59.7-46.8169.700000111.3A113 L114 M119 T120 W121A113-G117 PolarHBondContact O-N 3.48Å; L114-G117 PolarHBondContact O-N 2.9Å; L114-G117 VanDerWaalsContact O-N 3.16Å; G117-M119 PolarHBondContact O-N 3.15Å; G117-T120 WeakPolarHBondContact O-CB 3.3Å; G117-T120 PolarHBondContact O-N 2.88Å; G117-W121 PolarHBondContact O-N 3.42Å
118W92Very high88.5Confident116 Ų11644.6 Ų44.644%0.43920%0.204SC..Hα-helixtrans-60.1-45174.1178.5-102.2000112.6M88 L114 V115 T120 W121 K122M88-W118 HydrophobicContact SD-CE3 3.47Å; M88-W118 HydrophobicContact SD-CZ3 3.92Å; L114-W118 PolarHBondContact O-N 3.34Å; V115-W118 WeakPolarHBondContact O-CB 3.31Å; V115-W118 PolarHBondContact O-N 3.13Å; W118-T120 VanDerWaalsContact C-N 3.34Å; W118-T120 PolarHBondContact O-N 3.01Å; W118-W121 HydrophobicContact CD2-CE3 4.24Å; W118-W121 AromaticContact CE3-CE3 3.78Å; W118-W121 HydrophobicContact CE3-CE3 3.78Å; W118-W121 HydrophobicContact CE3-CZ3 4.05Å; W118-W121 HydrophobicContact CH2-CE3 4.05Å; W118-W121 HydrophobicContact CH2-CH2 4.35Å; W118-W121 AromaticContact CH2-CZ3 3.45Å; W118-W121 HydrophobicContact CH2-CZ3 3.45Å; W118-W121 VanDerWaalsContact CH2-CZ3 3.45Å; W118-W121 HydrophobicContact CZ2-CE3 4.43Å; W118-W121 AromaticContact CZ2-CZ3 3.98Å; W118-W121 HydrophobicContact CZ2-CZ3 3.98Å; W118-W121 AromaticContact CZ3-CE3 3.7Å; W118-W121 HydrophobicContact CZ3-CE3 3.7Å; W118-W121 HydrophobicContact CZ3-CH2 4.39Å; W118-W121 AromaticContact CZ3-CZ3 3.48Å; W118-W121 HydrophobicContact CZ3-CZ3 3.48Å; W118-W121 VanDerWaalsContact CZ3-CZ3 3.48Å; W118-W121 PolarHBondContact O-N 3.26Å; W118-K122 WeakPolarHBondContact O-CB 3.49Å; W118-K122 PolarHBondContact O-N 2.88Å
119M90.5Very high89.4Confident63 Ų6345.8 Ų45.831%0.3121%0.205SC..Hα-helixtrans-61.9-42.7176.2-74.8-67.1161.700111.7V115 W116 G117 K122 W123V115-M119 WeakPolarHBondContact O-CG 3.4Å; V115-M119 PolarHBondContact O-N 3.35Å; W116-M119 HydrophobicContact CE3-CB 4.23Å; W116-M119 PolarHBondContact O-N 3.33Å; G117-M119 PolarHBondContact O-N 3.15Å; M119-K122 WeakPolarHBondContact O-CB 3.3Å; M119-K122 PolarHBondContact O-N 2.93Å; M119-K122 WeakPolarHBondContact SD-CE 3.39Å; M119-W123 PolarHBondContact O-N 3.34Å
120T92.1Very high89.8Confident0 Ų046.8 Ų46.80%021%0.208CC..Hα-helixtrans-59.4-48.5175.7-58.60000110.8W40 V43 S44 F47 W116 G117 W118 K122 W123 A124W40-T120 HydrophobicContact CE3-CG2 4.22Å; W40-T120 HydrophobicContact CZ3-CG2 4.22Å; W40-T120 PolarHBondContact O-OG1 3.22Å; V43-T120 HydrophobicContact CG1-CG2 3.93Å; S44-T120 WeakPolarHBondContact CB-OG1 3.43Å; F47-T120 HydrophobicContact CD2-CG2 3.82Å; F47-T120 HydrophobicContact CE2-CG2 3.98Å; W116-T120 WeakPolarHBondContact O-CB 3.43Å; W116-T120 PolarHBondContact O-N 3.14Å; W116-T120 PolarHBondContact O-OG1 2.86Å; G117-T120 WeakPolarHBondContact O-CB 3.3Å; G117-T120 PolarHBondContact O-N 2.88Å; W118-T120 VanDerWaalsContact C-N 3.34Å; W118-T120 PolarHBondContact O-N 3.01Å; T120-K122 VanDerWaalsContact C-N 3.35Å; T120-K122 PolarHBondContact O-N 2.73Å; T120-W123 PolarHBondContact O-N 3.47Å; T120-A124 VanDerWaalsContact O-CB 3.26Å; T120-A124 WeakPolarHBondContact O-CB 3.5Å; T120-A124 PolarHBondContact O-N 3.02Å
121W91.7Very high89.8Confident77 Ų7745.9 Ų45.929%0.29220%0.204SC..Hα-helixtrans-57.6-46.3176.5177.271000111.8G117 W118 W123 A124 F125G117-W121 PolarHBondContact O-N 3.42Å; W118-W121 HydrophobicContact CD2-CE3 4.24Å; W118-W121 AromaticContact CE3-CE3 3.78Å; W118-W121 HydrophobicContact CE3-CE3 3.78Å; W118-W121 HydrophobicContact CE3-CZ3 4.05Å; W118-W121 HydrophobicContact CH2-CE3 4.05Å; W118-W121 HydrophobicContact CH2-CH2 4.35Å; W118-W121 AromaticContact CH2-CZ3 3.45Å; W118-W121 HydrophobicContact CH2-CZ3 3.45Å; W118-W121 VanDerWaalsContact CH2-CZ3 3.45Å; W118-W121 HydrophobicContact CZ2-CE3 4.43Å; W118-W121 AromaticContact CZ2-CZ3 3.98Å; W118-W121 HydrophobicContact CZ2-CZ3 3.98Å; W118-W121 AromaticContact CZ3-CE3 3.7Å; W118-W121 HydrophobicContact CZ3-CE3 3.7Å; W118-W121 HydrophobicContact CZ3-CH2 4.39Å; W118-W121 AromaticContact CZ3-CZ3 3.48Å; W118-W121 HydrophobicContact CZ3-CZ3 3.48Å; W118-W121 VanDerWaalsContact CZ3-CZ3 3.48Å; W118-W121 PolarHBondContact O-N 3.26Å; W121-W123 PolarHBondContact O-N 3.46Å; W121-A124 PolarHBondContact O-N 3.38Å; W121-F125 VanDerWaalsContact O-CB 3.29Å; W121-F125 WeakPolarHBondContact O-CB 3.34Å; W121-F125 PolarHBondContact O-N 2.99Å
122K91.4Very high89.7Confident79 Ų7949.9 Ų49.934%0.34322%0.219SC..Hα-helixtrans-58-47177.3-177.8-179.968.474.80112.4W118 M119 T120 A126W118-K122 WeakPolarHBondContact O-CB 3.49Å; W118-K122 PolarHBondContact O-N 2.88Å; M119-K122 WeakPolarHBondContact O-CB 3.3Å; M119-K122 PolarHBondContact O-N 2.93Å; M119-K122 WeakPolarHBondContact SD-CE 3.39Å; T120-K122 VanDerWaalsContact C-N 3.35Å; T120-K122 PolarHBondContact O-N 2.73Å; K122-A126 WeakPolarHBondContact O-CB 2.98Å; K122-A126 PolarHBondContact O-N 2.87Å
123W90.2Very high89.7Confident26 Ų2650 Ų5010%0.09822%0.219CC..Hα-helixtrans-71-39.4-179.5-68.6119.3000112.4F13 A14 F47 A48 M119 T120 W121 F125 A126 M127F13-W123 WeakPolarHBondContact O-CH2 3.4Å; A14-W123 HydrophobicContact CB-CZ3 4.23Å; F47-W123 HydrophobicContact CB-CB 3.93Å; A48-W123 HydrophobicContact CB-CD2 4.02Å; A48-W123 HydrophobicContact CB-CE3 4.39Å; A48-W123 HydrophobicContact CB-CG 4.22Å; M119-W123 PolarHBondContact O-N 3.34Å; T120-W123 PolarHBondContact O-N 3.47Å; W121-W123 PolarHBondContact O-N 3.46Å; W123-F125 VanDerWaalsContact C-N 3.33Å; W123-F125 PolarHBondContact O-N 2.94Å; W123-A126 PolarHBondContact O-N 2.87Å; W123-M127 WeakPolarHBondContact O-CB 3.38Å; W123-M127 PolarHBondContact O-N 3.28Å
124A92Very high89.3Confident0 Ų050.4 Ų50.40%022%0.22CC..Hα-helixtrans-65.6-36.7175.300000111.9F47 G80 Q81 T120 W121 M127 F128F47-A124 HydrophobicContact CD1-CB 4.13Å; F47-A124 HydrophobicContact CE1-CB 4.23Å; F47-A124 HydrophobicContact CG-CB 4.46Å; G80-A124 VanDerWaalsContact C-CB 3.48Å; Q81-A124 HydrophobicContact CB-CB 4.39Å; Q81-A124 VanDerWaalsContact CG-C 3.49Å; Q81-A124 HydrophobicContact CG-CB 3.71Å; Q81-A124 PolarHBondContact NE2-O 3.2Å; T120-A124 VanDerWaalsContact O-CB 3.26Å; T120-A124 WeakPolarHBondContact O-CB 3.5Å; T120-A124 PolarHBondContact O-N 3.02Å; W121-A124 PolarHBondContact O-N 3.38Å; A124-M127 WeakPolarHBondContact O-CB 3.43Å; A124-M127 PolarHBondContact O-N 2.97Å; A124-F128 PolarHBondContact O-N 3.36Å; A124-F128 VanDerWaalsContact O-N 3.11Å
125F91.7Very high88.7Confident101 Ų10154 Ų5444%0.44323%0.231SC..Hα-helixtrans-64-48.6172.1-173.7-96.1000111.8Q81 W121 W123 M127 F128 Y129Q81-F125 HydrophobicContact CG-CB 4.14Å; W121-F125 VanDerWaalsContact O-CB 3.29Å; W121-F125 WeakPolarHBondContact O-CB 3.34Å; W121-F125 PolarHBondContact O-N 2.99Å; W123-F125 VanDerWaalsContact C-N 3.33Å; W123-F125 PolarHBondContact O-N 2.94Å; F125-M127 VanDerWaalsContact C-N 3.29Å; F125-M127 PolarHBondContact O-N 3.26Å; F125-F128 PolarHBondContact O-N 2.66Å; F125-Y129 WeakPolarHBondContact O-CB 3.48Å; F125-Y129 PolarHBondContact O-N 2.8Å
126A89.8Confident88.2Confident20 Ų2059.6 Ų59.617%0.16524%0.244CC..Hα-helixtrans-58.4-42.2175.700000111.9K122 W123 F128 Y129 Y130K122-A126 WeakPolarHBondContact O-CB 2.98Å; K122-A126 PolarHBondContact O-N 2.87Å; W123-A126 PolarHBondContact O-N 2.87Å; A126-F128 PolarHBondContact O-N 3.45Å; A126-Y129 PolarHBondContact O-N 3.37Å; A126-Y130 HydrophobicContact CB-CD2 4.21Å; A126-Y130 HydrophobicContact CB-CE2 4.04Å; A126-Y130 WeakPolarHBondContact O-CB 3.46Å; A126-Y130 WeakPolarHBondContact O-CD2 3.4Å; A126-Y130 PolarHBondContact O-N 3.41Å
127M87.3Confident87.7Confident3 Ų362.8 Ų62.82%0.01526%0.26CS..Hα-helixtrans-57.9-47.8176.6-173.3-179.6-177.500112.1F47 A50 V51 L73 V76 W123 A124 F125 S131F47-M127 HydrophobicContact CD1-SD 3.64Å; F47-M127 HydrophobicContact CE1-SD 4.06Å; A50-M127 HydrophobicContact CB-CE 3.66Å; A50-M127 HydrophobicContact CB-SD 4.18Å; V51-M127 HydrophobicContact CG2-CB 3.63Å; V51-M127 HydrophobicContact CG2-CG 4.25Å; L73-M127 HydrophobicContact CB-CE 4.42Å; L73-M127 HydrophobicContact CD1-CE 3.17Å; L73-M127 HydrophobicContact CD2-CE 4.31Å; L73-M127 HydrophobicContact CG-CE 3.34Å; L73-M127 HydrophobicContact CG-CG 4.35Å; V76-M127 HydrophobicContact CB-CE 4.29Å; V76-M127 HydrophobicContact CG1-CE 4.04Å; W123-M127 WeakPolarHBondContact O-CB 3.38Å; W123-M127 PolarHBondContact O-N 3.28Å; A124-M127 WeakPolarHBondContact O-CB 3.43Å; A124-M127 PolarHBondContact O-N 2.97Å; F125-M127 VanDerWaalsContact C-N 3.29Å; F125-M127 PolarHBondContact O-N 3.26Å; M127-S131 VanDerWaalsContact O-CB 3.27Å; M127-S131 WeakPolarHBondContact O-CB 3.23Å; M127-S131 PolarHBondContact O-N 3.17Å; M127-S131 PolarHBondContact O-OG 3.23Å
128F89.1Confident86.8Confident61 Ų6164.4 Ų64.427%0.26827%0.266SS..Hα-helixtrans-65.6-44.9177178.2-100.2000112.5M74 C78 A124 F125 A126 S131 R132M74-F128 HydrophobicContact CB-CD2 4.21Å; M74-F128 HydrophobicContact CB-CE2 4.46Å; M74-F128 HydrophobicContact CG-CD2 4.41Å; C78-F128 HydrophobicContact CB-CD2 4.41Å; A124-F128 PolarHBondContact O-N 3.36Å; A124-F128 VanDerWaalsContact O-N 3.11Å; F125-F128 PolarHBondContact O-N 2.66Å; A126-F128 PolarHBondContact O-N 3.45Å; F128-S131 WeakPolarHBondContact CA-OG 3.43Å; F128-S131 PolarHBondContact O-OG 3.21Å; F128-R132 WeakPolarHBondContact O-CB 3.44Å; F128-R132 PolarHBondContact O-N 3.39Å
129Y89.2Confident85.9Confident123 Ų12362.7 Ų62.748%0.48227%0.265SS..Hα-helixtrans-61-49.4179.4-178.7-95.9000111.6F125 A126 R132 L133F125-Y129 WeakPolarHBondContact O-CB 3.48Å; F125-Y129 PolarHBondContact O-N 2.8Å; A126-Y129 PolarHBondContact O-N 3.37Å; Y129-R132 PolarHBondContact O-N 3.39Å; Y129-L133 HydrophobicContact CE1-CD2 4.17Å; Y129-L133 WeakPolarHBondContact O-CB 3.39Å; Y129-L133 PolarHBondContact O-N 3.38Å
130Y86.6Confident85.2Confident34 Ų3463 Ų6313%0.13328%0.277CS..Hα-helixtrans-69.9-37-178.9-69.9-50.5000113.1R10 V51 H55 A126 R132 L133 Y134R10-Y130 VanDerWaalsContact CD-OH 3.29Å; R10-Y130 WeakPolarHBondContact CD-OH 3.13Å; R10-Y130 VanDerWaalsContact CZ-OH 3.29Å; R10-Y130 PolarHBondContact NE-OH 3.33Å; V51-Y130 HydrophobicContact CG1-CD2 4.45Å; H55-Y130 AromaticContact CE1-CD2 3.52Å; H55-Y130 AromaticContact CE1-CE2 3.7Å; H55-Y130 AromaticContact NE2-CD2 3.93Å; H55-Y130 AromaticContact NE2-CE2 3.83Å; A126-Y130 HydrophobicContact CB-CD2 4.21Å; A126-Y130 HydrophobicContact CB-CE2 4.04Å; A126-Y130 WeakPolarHBondContact O-CB 3.46Å; A126-Y130 WeakPolarHBondContact O-CD2 3.4Å; A126-Y130 PolarHBondContact O-N 3.41Å; Y130-R132 VanDerWaalsContact C-N 3.34Å; Y130-R132 PolarHBondContact O-N 2.85Å; Y130-L133 HydrophobicContact CD1-CD2 4.46Å; Y130-L133 PolarHBondContact O-N 3.5Å; Y130-Y134 WeakPolarHBondContact O-CB 3.14Å; Y130-Y134 WeakPolarHBondContact O-CD2 3.47Å; Y130-Y134 PolarHBondContact O-N 3.04Å
131S86Confident84.1Confident0 Ų070.3 Ų70.30%031%0.311CS..Hα-helixtrans-65.3-37.6176510000112M74 M127 F128 R135M74-S131 WeakPolarHBondContact CG-OG 3.33Å; M127-S131 VanDerWaalsContact O-CB 3.27Å; M127-S131 WeakPolarHBondContact O-CB 3.23Å; M127-S131 PolarHBondContact O-N 3.17Å; M127-S131 PolarHBondContact O-OG 3.23Å; F128-S131 WeakPolarHBondContact CA-OG 3.43Å; F128-S131 PolarHBondContact O-OG 3.21Å; S131-R135 VanDerWaalsContact O-CB 3.22Å; S131-R135 WeakPolarHBondContact O-CB 3.22Å; S131-R135 PolarHBondContact O-N 3.08Å; S131-R135 VanDerWaalsContact O-N 3.11Å
132R84.4Confident83Confident169 Ų16970.7 Ų70.764%0.63832%0.317SS*.Hα-helixtrans-66.8-44.6171.6-173.1175.2-178.8166.90.1112.2M74 F128 Y129 Y130 R135 R136M74-R132 HydrophobicContact SD-CB 4.21Å; F128-R132 WeakPolarHBondContact O-CB 3.44Å; F128-R132 PolarHBondContact O-N 3.39Å; Y129-R132 PolarHBondContact O-N 3.39Å; Y130-R132 VanDerWaalsContact C-N 3.34Å; Y130-R132 PolarHBondContact O-N 2.85Å; R132-R135 PolarHBondContact O-N 3.01Å; R132-R136 PolarHBondContact O-N 3.42Å
133L85.7Confident81.8Confident45 Ų4573.1 Ų73.124%0.23633%0.33CS..Hα-helixtrans-63.1-49.7-179.3-17665.3000111.7Y129 Y130 R135 R136 H137Y129-L133 HydrophobicContact CE1-CD2 4.17Å; Y129-L133 WeakPolarHBondContact O-CB 3.39Å; Y129-L133 PolarHBondContact O-N 3.38Å; Y130-L133 HydrophobicContact CD1-CD2 4.46Å; Y130-L133 PolarHBondContact O-N 3.5Å; L133-R135 VanDerWaalsContact C-N 3.32Å; L133-R135 PolarHBondContact O-N 3.25Å; L133-R136 PolarHBondContact O-N 2.92Å; L133-R136 VanDerWaalsContact O-N 3.12Å; L133-H137 PolarHBondContact O-CD2 2.69Å; L133-H137 VanDerWaalsContact O-CD2 3.24Å; L133-H137 PolarHBondContact O-N 3.26Å
134Y81.8Confident80.5Confident7 Ų776.9 Ų76.93%0.02736%0.358CS..Hα-helixtrans-65.4-35.9179.1-62.8-31.7000112.3L7 L54 H55 Y58 Y130 R136 Y138L7-Y134 WeakPolarHBondContact CD1-OH 3.11Å; L54-Y134 HydrophobicContact CD1-CD2 4.1Å; L54-Y134 HydrophobicContact CD2-CD2 3.89Å; L54-Y134 HydrophobicContact CD2-CE2 4.01Å; L54-Y134 HydrophobicContact CG-CD2 3.76Å; L54-Y134 HydrophobicContact CG-CE2 3.84Å; H55-Y134 PolarHBondContact CD2-OH 3.08Å; Y58-Y134 HydrophobicContact CD1-CD1 4.27Å; Y58-Y134 AromaticContact CD1-CE1 3.76Å; Y58-Y134 HydrophobicContact CD1-CE1 3.76Å; Y58-Y134 AromaticContact CD2-CD1 3.37Å; Y58-Y134 HydrophobicContact CD2-CD1 3.37Å; Y58-Y134 HydrophobicContact CD2-CD2 4.14Å; Y58-Y134 AromaticContact CD2-CE1 3.73Å; Y58-Y134 HydrophobicContact CD2-CE1 3.73Å; Y58-Y134 HydrophobicContact CD2-CE2 4.44Å; Y58-Y134 AromaticContact CD2-CG 3.6Å; Y58-Y134 HydrophobicContact CD2-CG 3.6Å; Y58-Y134 HydrophobicContact CE1-CD1 4.28Å; Y58-Y134 AromaticContact CE1-CE1 3.85Å; Y58-Y134 HydrophobicContact CE1-CE1 3.85Å; Y58-Y134 AromaticContact CE2-CD1 3.37Å; Y58-Y134 HydrophobicContact CE2-CD1 3.37Å; Y58-Y134 AromaticContact CE2-CE1 3.82Å; Y58-Y134 HydrophobicContact CE2-CE1 3.82Å; Y58-Y134 AromaticContact CE2-CG 3.99Å; Y58-Y134 HydrophobicContact CE2-CG 3.99Å; Y58-Y134 AromaticContact CG-CD1 3.84Å; Y58-Y134 HydrophobicContact CG-CD1 3.84Å; Y58-Y134 HydrophobicContact CG-CD2 4.29Å; Y58-Y134 AromaticContact CG-CE1 3.7Å; Y58-Y134 HydrophobicContact CG-CE1 3.7Å; Y58-Y134 HydrophobicContact CG-CE2 4.17Å; Y58-Y134 HydrophobicContact CG-CG 4.14Å; Y58-Y134 AromaticContact CG-CZ 3.86Å; Y58-Y134 AromaticContact CZ-CD1 3.85Å; Y58-Y134 AromaticContact CZ-CE1 3.88Å; Y130-Y134 WeakPolarHBondContact O-CB 3.14Å; Y130-Y134 WeakPolarHBondContact O-CD2 3.47Å; Y130-Y134 PolarHBondContact O-N 3.04Å; Y134-R136 VanDerWaalsContact C-N 3.33Å; Y134-R136 PolarHBondContact O-N 2.94Å; Y134-Y138 WeakPolarHBondContact O-CB 3.48Å; Y134-Y138 PolarHBondContact O-N 3.29Å; Y134-Y138 VanDerWaalsContact O-N 3.11Å
135R79.4Confident79.2Confident106 Ų10686.5 Ų86.540%0.440%0.4SS..Hα-helixtrans-61.4-41.5171.6-178178.8168.9-145.7-2.9111.7L70 S131 R132 L133 Y138 I139L70-R135 HydrophobicContact CD2-CB 4.46Å; S131-R135 VanDerWaalsContact O-CB 3.22Å; S131-R135 WeakPolarHBondContact O-CB 3.22Å; S131-R135 PolarHBondContact O-N 3.08Å; S131-R135 VanDerWaalsContact O-N 3.11Å; R132-R135 PolarHBondContact O-N 3.01Å; L133-R135 VanDerWaalsContact C-N 3.32Å; L133-R135 PolarHBondContact O-N 3.25Å; R135-Y138 PolarHBondContact O-N 2.96Å; R135-I139 HydrophobicContact CG-CD1 3.94Å; R135-I139 VanDerWaalsContact O-CG1 3.3Å; R135-I139 WeakPolarHBondContact O-CG1 3.43Å; R135-I139 PolarHBondContact O-N 3.43Å
136R80.5Confident77.8Confident195 Ų19588.9 Ų88.974%0.73642%0.416SS*.Hα-helixtrans-66.1-47178.6-174.7-178.7175-173.5-0.8112.2R132 L133 Y134 Y138 I139 A140R132-R136 PolarHBondContact O-N 3.42Å; L133-R136 PolarHBondContact O-N 2.92Å; L133-R136 VanDerWaalsContact O-N 3.12Å; Y134-R136 VanDerWaalsContact C-N 3.33Å; Y134-R136 PolarHBondContact O-N 2.94Å; R136-Y138 PolarHBondContact O-N 2.93Å; R136-I139 PolarHBondContact O-N 3.46Å; R136-A140 PolarHBondContact O-N 2.86Å; R136-A140 VanDerWaalsContact O-N 3.1Å
137H78.9Confident76.4Confident94 Ų9492.3 Ų92.344%0.43544%0.437SS..Hα-helixtrans-57.2-41.6176.9-76.5-61.4000111.6L133 A140 E141L133-H137 PolarHBondContact O-CD2 2.69Å; L133-H137 VanDerWaalsContact O-CD2 3.24Å; L133-H137 PolarHBondContact O-N 3.26Å; H137-A140 PolarHBondContact O-N 2.95Å; H137-E141 PolarHBondContact O-N 2.88Å
138Y72.4Confident75.3Confident34 Ų3496.1 Ų96.113%0.13346%0.464CS..Hα-helixtrans-72.3-38.7-177.9-168.5-101000113.7R64 L67 Y134 R135 R136 A140 E141 M142R64-Y138 WeakPolarHBondContact CA-OH 3.48Å; R64-Y138 WeakPolarHBondContact CB-OH 3.37Å; R64-Y138 WeakPolarHBondContact CD-OH 3.47Å; R64-Y138 WeakPolarHBondContact CG-OH 3.47Å; L67-Y138 HydrophobicContact CD1-CD1 3.34Å; L67-Y138 HydrophobicContact CD1-CE1 3.93Å; L67-Y138 HydrophobicContact CD1-CG 4.04Å; L67-Y138 HydrophobicContact CD2-CD1 3.96Å; L67-Y138 HydrophobicContact CD2-CE1 4.18Å; L67-Y138 HydrophobicContact CG-CD1 4.28Å; Y134-Y138 WeakPolarHBondContact O-CB 3.48Å; Y134-Y138 PolarHBondContact O-N 3.29Å; Y134-Y138 VanDerWaalsContact O-N 3.11Å; R135-Y138 PolarHBondContact O-N 2.96Å; R136-Y138 PolarHBondContact O-N 2.93Å; Y138-A140 VanDerWaalsContact C-N 3.26Å; Y138-A140 PolarHBondContact O-N 3.33Å; Y138-E141 PolarHBondContact O-N 3.15Å; Y138-M142 HydrophobicContact CD1-CE 4.4Å; Y138-M142 HydrophobicContact CD1-CG 4.21Å; Y138-M142 HydrophobicContact CD1-SD 3.78Å; Y138-M142 HydrophobicContact CE1-CE 3.3Å; Y138-M142 HydrophobicContact CE1-CG 3.76Å; Y138-M142 HydrophobicContact CE1-SD 3.21Å; Y138-M142 WeakPolarHBondContact CE1-SD 3.45Å; Y138-M142 PolarHBondContact O-N 3.49Å; Y138-M142 WeakPolarHBondContact OH-CE 3.28Å
139I74Confident73.9Confident79 Ų7995.9 Ų95.941%0.40548%0.479SS..Hα-helixtrans-60.7-39.6172.7-69.8166.8000110.3R135 R136 M142 Q143R135-I139 HydrophobicContact CG-CD1 3.94Å; R135-I139 VanDerWaalsContact O-CG1 3.3Å; R135-I139 WeakPolarHBondContact O-CG1 3.43Å; R135-I139 PolarHBondContact O-N 3.43Å; R136-I139 PolarHBondContact O-N 3.46Å; I139-M142 PolarHBondContact O-N 3.26Å; I139-Q143 WeakPolarHBondContact O-CG 3.31Å; I139-Q143 PolarHBondContact O-N 2.91Å
140A74.9Confident72.5Confident69 Ų6996 Ų9657%0.5749%0.487SS*.Hα-helixtrans-66.5-37.2177.100000112.6R136 H137 Y138 Q143R136-A140 PolarHBondContact O-N 2.86Å; R136-A140 VanDerWaalsContact O-N 3.1Å; H137-A140 PolarHBondContact O-N 2.95Å; Y138-A140 VanDerWaalsContact C-N 3.26Å; Y138-A140 PolarHBondContact O-N 3.33Å; A140-Q143 PolarHBondContact O-N 3.44Å
141E70.2Confident71.2Confident154 Ų154101.4 Ų101.472%0.7251%0.514SS*.Hα-helixtrans-76.1-23.9179.3-157.4164.3-15600113.1H137 Y138H137-E141 PolarHBondContact O-N 2.88Å; Y138-E141 PolarHBondContact O-N 3.15Å
142M66.9Low69.9Low85 Ų85109.6 Ų109.642%0.41955%0.546SS..Hα-helixtrans-80.2-16.7172.5-80.1-176.1141.600114.5R64 Y138 I139R64-M142 HydrophobicContact CG-CE 3.97Å; R64-M142 VanDerWaalsContact NE-CE 3.32Å; Y138-M142 HydrophobicContact CD1-CE 4.4Å; Y138-M142 HydrophobicContact CD1-CG 4.21Å; Y138-M142 HydrophobicContact CD1-SD 3.78Å; Y138-M142 HydrophobicContact CE1-CE 3.3Å; Y138-M142 HydrophobicContact CE1-CG 3.76Å; Y138-M142 HydrophobicContact CE1-SD 3.21Å; Y138-M142 WeakPolarHBondContact CE1-SD 3.45Å; Y138-M142 PolarHBondContact O-N 3.49Å; Y138-M142 WeakPolarHBondContact OH-CE 3.28Å; I139-M142 PolarHBondContact O-N 3.26Å
143Q66.8Low68.8Low131 Ų131108 Ų10861%0.61255%0.551SS**SBendtrans-65.3127.8174.8-71-86.6-86.400107.9I139 A140 K145I139-Q143 WeakPolarHBondContact O-CG 3.31Å; I139-Q143 PolarHBondContact O-N 2.91Å; A140-Q143 PolarHBondContact O-N 3.44Å; Q143-K145 PolarHBondContact O-N 3.46Å; Q143-K145 VanDerWaalsContact O-N 3.16Å
144P62.5Low67.6Low105 Ų105112.8 Ų112.868%0.68258%0.576SS**  trans-55.7128.2168.924.1-30.4000106.6L146P144-L146 VanDerWaalsContact C-N 3.34Å; P144-L146 PolarHBondContact O-N 3.29Å
145K64.1Low66.7Low202 Ų202119.7 Ų119.788%0.87861%0.613SS**  trans-55108.8165.5-74.4178.9177.1178.60104.7Q143 P147Q143-K145 PolarHBondContact O-N 3.46Å; Q143-K145 VanDerWaalsContact O-N 3.16Å; K145-P147 WeakPolarHBondContact O-CD 3.4Å; K145-P147 VanDerWaalsContact O-N 3.16Å
146L64.3Low65.7Low150 Ų150121.7 Ų121.779%0.78563%0.628SS**PPolyproline II helixtrans-54.1126.1165.7-90.4108000105.1P144 S148P144-L146 VanDerWaalsContact C-N 3.34Å; P144-L146 PolarHBondContact O-N 3.29Å; L146-S148 PolarHBondContact O-N 2.99Å
147P58.6Low64.5Low93 Ų93119.9 Ų119.960%0.60463%0.632SS**PPolyproline II helixtrans-50.9124.6168.220.4-28.4000106K145 G149K145-P147 WeakPolarHBondContact O-CD 3.4Å; K145-P147 VanDerWaalsContact O-N 3.16Å; P147-G149 PolarHBondContact O-N 3.2Å
148S64.2Low63.5Low83 Ų83120 Ų12058%0.5864%0.641SS**PPolyproline II helixtrans-53.6131.8174.2179.60000105.9L146 N150 E151L146-S148 PolarHBondContact O-N 2.99Å; S148-N150 PolarHBondContact O-N 2.89Å; S148-E151 PolarHBondContact O-N 2.95Å
149G59.9Low63.1Low56 Ų56123.9 Ų123.958%0.57766%0.664SS**G310 helixtrans-54.5-5.7-176.300000115P147 E151P147-G149 PolarHBondContact O-N 3.2Å; G149-E151 VanDerWaalsContact C-N 3.31Å
150N60.6Low62.5Low124 Ų124129.1 Ų129.166%0.66369%0.686SS**G310 helixtrans-71.9-16.8171-64.48.9000114.1S148 Y152S148-N150 PolarHBondContact O-N 2.89Å; N150-Y152 VanDerWaalsContact C-N 3.29Å
151E58.6Low61.8Low149 Ų149132.8 Ų132.870%0.69669%0.692SS**G310 helixtrans-82.8-4.3178.6-154.9101.8-169.200113S148 G149S148-E151 PolarHBondContact O-N 2.95Å; G149-E151 VanDerWaalsContact C-N 3.31Å
152Y59.1Low61.4Low171 Ų171129.9 Ų129.967%0.67169%0.688SS**SBendtrans-102.3-17.5178.2-107.9-90000114N150N150-Y152 VanDerWaalsContact C-N 3.29Å
153D60.3Low61Low137 Ų137130.1 Ų130.173%0.73370%0.704SS**SBendtrans-84.2-14.9-174.1-85.9-28.8000114.1
154D61.5Low60.4Low145 Ų145133.1 Ų133.178%0.77571%0.71SS**SBendtrans-95.4-21.5-175.7-72.2-35.5000114.6
155D62.2Low60.7Low151 Ų151142.7 Ų142.781%0.80773%0.734SS**SBendtrans-97.6-7-174.8-76.8-29.9000114.7
156E58.3Low60.5Low149 Ų149139.7 Ų139.770%0.69673%0.727SS**  trans-112.422.7-176-92.2-168.2146.300115.6P158E156-P158 WeakPolarHBondContact O-CD 3.26Å
157L56.7Low60.3Low157 Ų157139.2 Ų139.282%0.82272%0.724SS**  trans-100.984.9161-14586.5000110.4D159L157-D159 PolarHBondContact O-N 3.29Å
158P58.3Low60.4Low96 Ų96141.7 Ų141.762%0.62373%0.73SS**  trans-57.5118.4162.524.8-30000107E156 Q160E156-P158 WeakPolarHBondContact O-CD 3.26Å; P158-Q160 VanDerWaalsContact C-N 3.33Å; P158-Q160 PolarHBondContact O-N 2.92Å
159D62.6Low60.2Low116 Ų116145.2 Ų145.262%0.6274%0.739SS**  trans-41.892.3167.948.2-59.9000110.6L157 H161 S162L157-D159 PolarHBondContact O-N 3.29Å; D159-H161 PolarHBondContact O-N 2.94Å; D159-S162 PolarHBondContact O-OG 3.4Å
160Q61.5Low60.2Low188 Ų188150.8 Ų150.888%0.87975%0.749SS**THydrogen-bonded Turntrans-62.610.7170.3-73.1-138.6-56.100113.1P158P158-Q160 VanDerWaalsContact C-N 3.33Å; P158-Q160 PolarHBondContact O-N 2.92Å
161H61.6Low60.2Low147 Ų147152.5 Ų152.568%0.68176%0.755SS**THydrogen-bonded Turntrans-85.1-9.4179.2-130.9-59.1000113.9D159D159-H161 PolarHBondContact O-N 2.94Å
162S61.6Low60.3Low92 Ų92152.8 Ų152.864%0.64376%0.759SS**THydrogen-bonded Turntrans-88.9-7.8179.255.90000115D159 R164D159-S162 PolarHBondContact O-OG 3.4Å; S162-R164 VanDerWaalsContact C-N 3.35Å; S162-R164 PolarHBondContact O-N 3.24Å
163A58.5Low60.4Low91 Ų91151.4 Ų151.475%0.75277%0.766SS**THydrogen-bonded Turntrans-89.512.3178.600000114.9
164R53.8Low60.4Low194 Ų194152.6 Ų152.673%0.73277%0.769SS**  trans-109.872.2171.5-85-161.6-109.6-179.5-4.1111.1S162S162-R164 VanDerWaalsContact C-N 3.35Å; S162-R164 PolarHBondContact O-N 3.24Å
165Y68.5Low60.3Low305 Ų305153.3 Ų153.3100%1.19677%0.768SS**  trans-152.30149.9-70.5-66000110

Retrieved 165 of 165 residues in 184.2 ms (Link to these results)

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