A0A5K4EFL6_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4EFL6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 168 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
1M37.1Very low50.2Low196 Ų19660.1 Ų60.197%0.96633%0.33SS*.  0121.30-148.1163.288.100106.8L3 S6M1-L3 PolarHBondContact O-N 3.22Å; M1-S6 WeakPolarHBondContact CE-OG 3.2Å
2N45.1Very low51.2Low80 Ų8062.3 Ų62.343%0.42833%0.334SS..  trans-64.6133.3-175.8-146.2-9.2000109.1S4 C5 S6N2-S4 PolarHBondContact O-N 3.16Å; N2-S4 VanDerWaalsContact O-N 3.14Å; N2-C5 WeakPolarHBondContact O-CB 3.36Å; N2-C5 PolarHBondContact O-N 2.91Å; N2-S6 PolarHBondContact O-N 3.38Å
3L42.8Very low52Low105 Ų10566.8 Ų66.855%0.5535%0.351SS..Hα-helixtrans-55.8-36.2-170.6-156.580.6000111.6M1 C5 S6 L7M1-L3 PolarHBondContact O-N 3.22Å; L3-C5 VanDerWaalsContact C-N 3.34Å; L3-C5 PolarHBondContact O-N 3.23Å; L3-S6 WeakPolarHBondContact O-CB 3.49Å; L3-S6 PolarHBondContact O-N 3.43Å; L3-L7 VanDerWaalsContact O-CG 3.31Å; L3-L7 WeakPolarHBondContact O-CG 3.31Å; L3-L7 PolarHBondContact O-N 3.17Å
4S50.7Low52.5Low3 Ų363.8 Ų63.82%0.02134%0.336CS..Hα-helixtrans-56.8-38.8173.252.30000113.8N2 L7 L8N2-S4 PolarHBondContact O-N 3.16Å; N2-S4 VanDerWaalsContact O-N 3.14Å; S4-L7 PolarHBondContact O-N 2.78Å; S4-L8 WeakPolarHBondContact O-CB 3.27Å; S4-L8 PolarHBondContact O-N 2.78Å
5C47.9Very low53Low57 Ų5760.3 Ų60.339%0.38532%0.317SS..Hα-helixtrans-67.9-42.8175.8-75.10000111.8N2 L3 L7 L8 V9N2-C5 WeakPolarHBondContact O-CB 3.36Å; N2-C5 PolarHBondContact O-N 2.91Å; L3-C5 VanDerWaalsContact C-N 3.34Å; L3-C5 PolarHBondContact O-N 3.23Å; C5-L7 PolarHBondContact O-N 2.96Å; C5-L8 PolarHBondContact O-N 2.64Å; C5-V9 WeakPolarHBondContact O-CB 3.46Å; C5-V9 VanDerWaalsContact O-CG2 3.23Å; C5-V9 WeakPolarHBondContact O-CG2 3.43Å; C5-V9 PolarHBondContact O-N 3.22Å
6S51.1Low53.3Low35 Ų3564.1 Ų64.125%0.24533%0.33CS..Hα-helixtrans-60.1-39.2174.6-63.40000111.1M1 N2 L3 V9 N10M1-S6 WeakPolarHBondContact CE-OG 3.2Å; N2-S6 PolarHBondContact O-N 3.38Å; L3-S6 WeakPolarHBondContact O-CB 3.49Å; L3-S6 PolarHBondContact O-N 3.43Å; S6-V9 PolarHBondContact O-N 2.77Å; S6-N10 WeakPolarHBondContact O-CB 3.29Å; S6-N10 PolarHBondContact O-N 3.31Å; S6-N10 PolarHBondContact O-ND2 2.94Å; S6-N10 VanDerWaalsContact O-ND2 3.17Å
7L51.5Low53.4Low14 Ų1467.6 Ų67.67%0.07334%0.34CS..Hα-helixtrans-68.7-44.3178.3-70.3164.1000112.5L3 S4 C5 V9 N10 L11 C124 F125 D128L3-L7 VanDerWaalsContact O-CG 3.31Å; L3-L7 WeakPolarHBondContact O-CG 3.31Å; L3-L7 PolarHBondContact O-N 3.17Å; S4-L7 PolarHBondContact O-N 2.78Å; C5-L7 PolarHBondContact O-N 2.96Å; L7-V9 VanDerWaalsContact C-N 3.31Å; L7-V9 PolarHBondContact O-N 3.14Å; L7-N10 PolarHBondContact O-N 3.46Å; L7-L11 WeakPolarHBondContact O-CB 3.48Å; L7-L11 PolarHBondContact O-N 3.5Å; L7-C124 HydrophobicContact CD2-CB 4.45Å; L7-F125 HydrophobicContact CB-CD1 4.41Å; L7-F125 HydrophobicContact CB-CE1 3.62Å; L7-F125 HydrophobicContact CB-CZ 4.14Å; L7-F125 HydrophobicContact CD1-CD1 4.31Å; L7-F125 HydrophobicContact CD1-CE1 4.29Å; L7-F125 HydrophobicContact CD2-CD1 4.32Å; L7-F125 HydrophobicContact CD2-CE1 4.13Å; L7-F125 HydrophobicContact CG-CE1 4.23Å; L7-D128 HydrophobicContact CD1-CB 4.42Å; L7-D128 WeakPolarHBondContact CD1-OD2 3.26Å
8L55.3Low53.2Low12 Ų1264.7 Ų64.76%0.06333%0.325CS..Hα-helixtrans-59.9-41.9173.9-91.3159000111.8S4 C5 L11 F12 I35 I38 L42S4-L8 WeakPolarHBondContact O-CB 3.27Å; S4-L8 PolarHBondContact O-N 2.78Å; C5-L8 PolarHBondContact O-N 2.64Å; L8-L11 PolarHBondContact O-N 3.43Å; L8-F12 WeakPolarHBondContact O-CB 3.37Å; L8-F12 PolarHBondContact O-N 3.39Å; L8-I35 HydrophobicContact CD2-CG2 3.71Å; L8-I38 HydrophobicContact CD1-CG2 4.26Å; L8-I38 HydrophobicContact CD2-CG2 4.21Å; L8-L42 HydrophobicContact CD1-CD1 3.29Å
9V57Low53.1Low70 Ų7062.4 Ų62.442%0.42432%0.316SS..Hα-helixtrans-62.9-44.5174.9168.80000110.5C5 S6 L7 L11 F12 H13C5-V9 WeakPolarHBondContact O-CB 3.46Å; C5-V9 VanDerWaalsContact O-CG2 3.23Å; C5-V9 WeakPolarHBondContact O-CG2 3.43Å; C5-V9 PolarHBondContact O-N 3.22Å; S6-V9 PolarHBondContact O-N 2.77Å; L7-V9 VanDerWaalsContact C-N 3.31Å; L7-V9 PolarHBondContact O-N 3.14Å; V9-L11 PolarHBondContact O-N 2.81Å; V9-F12 WeakPolarHBondContact O-CB 3.35Å; V9-F12 PolarHBondContact O-N 3.47Å; V9-H13 VanDerWaalsContact CG1-CD2 3.43Å; V9-H13 WeakPolarHBondContact CG1-CD2 3.39Å; V9-H13 VanDerWaalsContact CG1-NE2 3.34Å; V9-H13 WeakPolarHBondContact CG1-NE2 3.45Å; V9-H13 PolarHBondContact O-CD2 3.31Å; V9-H13 PolarHBondContact O-N 3.03Å
10N54.3Low53Low89 Ų8964.4 Ų64.448%0.47633%0.327SS..Hα-helixtrans-63.6-39.8176-73.9-29.9000112.7S6 L7 H13 L14S6-N10 WeakPolarHBondContact O-CB 3.29Å; S6-N10 PolarHBondContact O-N 3.31Å; S6-N10 PolarHBondContact O-ND2 2.94Å; S6-N10 VanDerWaalsContact O-ND2 3.17Å; L7-N10 PolarHBondContact O-N 3.46Å; N10-H13 PolarHBondContact O-N 3.07Å; N10-L14 PolarHBondContact O-N 2.93Å
11L59.4Low52.7Low0 Ų064.5 Ų64.50%033%0.333CS..Hα-helixtrans-63.7-44.5174-175.666.5000110.8L7 L8 V9 H13 L14 L15 I35 C97 M101 F125L7-L11 WeakPolarHBondContact O-CB 3.48Å; L7-L11 PolarHBondContact O-N 3.5Å; L8-L11 PolarHBondContact O-N 3.43Å; V9-L11 PolarHBondContact O-N 2.81Å; L11-H13 PolarHBondContact O-N 3.07Å; L11-L14 PolarHBondContact O-N 3.41Å; L11-L15 HydrophobicContact CD1-CD1 4.32Å; L11-L15 HydrophobicContact CD1-CG 4.45Å; L11-L15 HydrophobicContact CG-CD1 3.97Å; L11-L15 HydrophobicContact CG-CG 4.47Å; L11-L15 WeakPolarHBondContact O-CB 3.35Å; L11-L15 WeakPolarHBondContact O-CG 3.47Å; L11-L15 PolarHBondContact O-N 3.02Å; L11-I35 HydrophobicContact CD2-CD1 3.72Å; L11-I35 HydrophobicContact CD2-CG1 4.21Å; L11-I35 HydrophobicContact CG-CD1 4.19Å; L11-C97 HydrophobicContact CD2-CB 4.27Å; L11-M101 HydrophobicContact CD1-CG 3.79Å; L11-M101 HydrophobicContact CD1-SD 3.57Å; L11-M101 VanDerWaalsContact CD1-SD 3.57Å; L11-F125 HydrophobicContact CB-CZ 4.21Å; L11-F125 HydrophobicContact CD1-CE2 4.38Å
12F62.3Low53.2Low87 Ų8760.1 Ų60.138%0.38231%0.31SS..Hα-helixtrans-58.7-46.6174.4-114.3-74.2000111.6L8 V9 L14 L15 F16 I35L8-F12 WeakPolarHBondContact O-CB 3.37Å; L8-F12 PolarHBondContact O-N 3.39Å; V9-F12 WeakPolarHBondContact O-CB 3.35Å; V9-F12 PolarHBondContact O-N 3.47Å; F12-L14 VanDerWaalsContact C-N 3.31Å; F12-L14 PolarHBondContact O-N 2.82Å; F12-L15 PolarHBondContact O-N 2.65Å; F12-F16 WeakPolarHBondContact O-CB 3.45Å; F12-F16 PolarHBondContact O-N 3.32Å; F12-I35 HydrophobicContact CD2-CG2 3.71Å; F12-I35 HydrophobicContact CE2-CB 4.4Å; F12-I35 HydrophobicContact CE2-CG2 3.35Å; F12-I35 HydrophobicContact CZ-CG2 4.21Å
13H62.2Low53.4Low120 Ų12059.5 Ų59.556%0.55632%0.323SS*.Hα-helixtrans-61.6-40.4177.3-76-56.3000112V9 N10 L11 Y17V9-H13 VanDerWaalsContact CG1-CD2 3.43Å; V9-H13 WeakPolarHBondContact CG1-CD2 3.39Å; V9-H13 VanDerWaalsContact CG1-NE2 3.34Å; V9-H13 WeakPolarHBondContact CG1-NE2 3.45Å; V9-H13 PolarHBondContact O-CD2 3.31Å; V9-H13 PolarHBondContact O-N 3.03Å; N10-H13 PolarHBondContact O-N 3.07Å; L11-H13 PolarHBondContact O-N 3.07Å; H13-Y17 VanDerWaalsContact O-CB 3.3Å; H13-Y17 WeakPolarHBondContact O-CB 3.08Å; H13-Y17 PolarHBondContact O-N 3.12Å
14L58.7Low53.7Low25 Ų2555.1 Ų55.113%0.13130%0.3CS..Hα-helixtrans-64-51.5175.7-167.481.3000110.9N10 L11 F12 F16 Y17 L18 M101 I121N10-L14 PolarHBondContact O-N 2.93Å; L11-L14 PolarHBondContact O-N 3.41Å; F12-L14 VanDerWaalsContact C-N 3.31Å; F12-L14 PolarHBondContact O-N 2.82Å; L14-F16 VanDerWaalsContact C-N 3.3Å; L14-F16 PolarHBondContact O-N 3.32Å; L14-Y17 WeakPolarHBondContact O-CB 3.47Å; L14-Y17 PolarHBondContact O-N 3.19Å; L14-L18 HydrophobicContact CD2-CD1 4.23Å; L14-L18 HydrophobicContact CG-CD1 4.01Å; L14-L18 WeakPolarHBondContact O-CB 3.2Å; L14-L18 WeakPolarHBondContact O-CD1 3.43Å; L14-L18 WeakPolarHBondContact O-CG 3.18Å; L14-L18 PolarHBondContact O-N 3.4Å; L14-M101 HydrophobicContact CD2-CE 3.36Å; L14-M101 HydrophobicContact CD2-SD 3.71Å; L14-I121 HydrophobicContact CB-CD1 4.17Å; L14-I121 HydrophobicContact CD1-CD1 3.6Å; L14-I121 HydrophobicContact CD2-CD1 3.65Å; L14-I121 HydrophobicContact CG-CD1 3.99Å
15L59.5Low53.9Low11 Ų1158.6 Ų58.66%0.05832%0.318CS..Hα-helixtrans-63.5-37.3-178.8-68.8172.2000112.3L11 F12 L18 S19 I35 V104L11-L15 HydrophobicContact CD1-CD1 4.32Å; L11-L15 HydrophobicContact CD1-CG 4.45Å; L11-L15 HydrophobicContact CG-CD1 3.97Å; L11-L15 HydrophobicContact CG-CG 4.47Å; L11-L15 WeakPolarHBondContact O-CB 3.35Å; L11-L15 WeakPolarHBondContact O-CG 3.47Å; L11-L15 PolarHBondContact O-N 3.02Å; F12-L15 PolarHBondContact O-N 2.65Å; L15-L18 HydrophobicContact CD2-CD1 4.39Å; L15-L18 PolarHBondContact O-N 3.36Å; L15-S19 PolarHBondContact O-N 2.94Å; L15-I35 HydrophobicContact CD1-CD1 3.14Å; L15-V104 HydrophobicContact CD2-CG2 4.18Å
16F58Low53.9Low121 Ų12158 Ų5853%0.53131%0.311SS..Hα-helixtrans-66.5-43.2175.2-169.7-103.6000111.8F12 L14 L18 S19 N20 L26F12-F16 WeakPolarHBondContact O-CB 3.45Å; F12-F16 PolarHBondContact O-N 3.32Å; L14-F16 VanDerWaalsContact C-N 3.3Å; L14-F16 PolarHBondContact O-N 3.32Å; F16-L18 VanDerWaalsContact C-N 3.28Å; F16-L18 PolarHBondContact O-N 3.08Å; F16-S19 PolarHBondContact O-N 3.35Å; F16-N20 WeakPolarHBondContact CD1-ND2 3.44Å; F16-N20 WeakPolarHBondContact CE1-ND2 3.37Å; F16-N20 VanDerWaalsContact CZ-ND2 3.26Å; F16-N20 WeakPolarHBondContact CZ-ND2 3.27Å; F16-N20 PolarHBondContact O-N 3.49Å; F16-N20 VanDerWaalsContact O-N 3.08Å; F16-N20 PolarHBondContact O-ND2 3.41Å; F16-L26 HydrophobicContact CD2-CD1 4.36Å
17Y55.2Low53.7Low125 Ų12565.9 Ų65.949%0.4934%0.341SS..Hα-helixtrans-58.1-43.9172.6176.9-96.8000111.2H13 L14 N20 C21H13-Y17 VanDerWaalsContact O-CB 3.3Å; H13-Y17 WeakPolarHBondContact O-CB 3.08Å; H13-Y17 PolarHBondContact O-N 3.12Å; L14-Y17 WeakPolarHBondContact O-CB 3.47Å; L14-Y17 PolarHBondContact O-N 3.19Å; Y17-N20 PolarHBondContact O-N 3.04Å; Y17-C21 HydrophobicContact CE1-CB 4.29Å; Y17-C21 HydrophobicContact CE2-CB 4.49Å; Y17-C21 WeakPolarHBondContact CE2-SG 3.35Å; Y17-C21 VanDerWaalsContact CZ-SG 3.51Å; Y17-C21 VanDerWaalsContact O-CB 3.27Å; Y17-C21 WeakPolarHBondContact O-CB 3.34Å; Y17-C21 PolarHBondContact O-N 3.24Å
18L49Very low53.5Low15 Ų1572.2 Ų72.28%0.07937%0.37CS..Hα-helixtrans-65.2-41.1179.9-68.8166.9000112.5L14 L15 F16 H22 I24 V104 M113L14-L18 HydrophobicContact CD2-CD1 4.23Å; L14-L18 HydrophobicContact CG-CD1 4.01Å; L14-L18 WeakPolarHBondContact O-CB 3.2Å; L14-L18 WeakPolarHBondContact O-CD1 3.43Å; L14-L18 WeakPolarHBondContact O-CG 3.18Å; L14-L18 PolarHBondContact O-N 3.4Å; L15-L18 HydrophobicContact CD2-CD1 4.39Å; L15-L18 PolarHBondContact O-N 3.36Å; F16-L18 VanDerWaalsContact C-N 3.28Å; F16-L18 PolarHBondContact O-N 3.08Å; L18-H22 WeakPolarHBondContact O-CB 3.45Å; L18-H22 PolarHBondContact O-N 2.89Å; L18-I24 HydrophobicContact CB-CD1 4.03Å; L18-V104 HydrophobicContact CD1-CG1 4.46Å; L18-M113 HydrophobicContact CB-CE 4.29Å; L18-M113 HydrophobicContact CD1-CE 3.21Å; L18-M113 HydrophobicContact CD2-CE 3.19Å; L18-M113 HydrophobicContact CG-CE 3.66Å
19S52.4Low53.2Low20 Ų2072.5 Ų72.514%0.1437%0.371CS..Hα-helixtrans-57.4-51.5173.4-169.30000112.7L15 F16 G23 I24 L26L15-S19 PolarHBondContact O-N 2.94Å; F16-S19 PolarHBondContact O-N 3.35Å; S19-G23 WeakPolarHBondContact O-CA 3.24Å; S19-G23 PolarHBondContact O-N 2.81Å; S19-G23 VanDerWaalsContact O-N 3.13Å; S19-I24 WeakPolarHBondContact CA-O 3.28Å; S19-I24 WeakPolarHBondContact CB-O 3.31Å; S19-I24 PolarHBondContact O-N 3Å; S19-I24 VanDerWaalsContact O-N 3.15Å; S19-I24 PolarHBondContact OG-O 3.47Å; S19-L26 VanDerWaalsContact CB-CG 3.4Å; S19-L26 WeakPolarHBondContact OG-CD1 3.49Å; S19-L26 VanDerWaalsContact OG-CG 3.23Å; S19-L26 WeakPolarHBondContact OG-CG 3.36Å
20N50.6Low52.9Low102 Ų10276.7 Ų76.755%0.54538%0.38SS..Hα-helixtrans-72.1-42.1-175.6-69-48.8000112.5F16 Y17F16-N20 WeakPolarHBondContact CD1-ND2 3.44Å; F16-N20 WeakPolarHBondContact CE1-ND2 3.37Å; F16-N20 VanDerWaalsContact CZ-ND2 3.26Å; F16-N20 WeakPolarHBondContact CZ-ND2 3.27Å; F16-N20 PolarHBondContact O-N 3.49Å; F16-N20 VanDerWaalsContact O-N 3.08Å; F16-N20 PolarHBondContact O-ND2 3.41Å; Y17-N20 PolarHBondContact O-N 3.04Å
21C46.1Very low52.8Low68 Ų6873.1 Ų73.146%0.45936%0.361SS..Hα-helixtrans-80.9-28.3-174.4-700000113.8Y17Y17-C21 HydrophobicContact CE1-CB 4.29Å; Y17-C21 HydrophobicContact CE2-CB 4.49Å; Y17-C21 WeakPolarHBondContact CE2-SG 3.35Å; Y17-C21 VanDerWaalsContact CZ-SG 3.51Å; Y17-C21 VanDerWaalsContact O-CB 3.27Å; Y17-C21 WeakPolarHBondContact O-CB 3.34Å; Y17-C21 PolarHBondContact O-N 3.24Å
22H49.1Very low52.4Low104 Ų10475 Ų7548%0.48137%0.374SS..Hα-helixtrans-115.510.2-174.9-58-63.2000113.3L18 I24L18-H22 WeakPolarHBondContact O-CB 3.45Å; L18-H22 PolarHBondContact O-N 2.89Å; H22-I24 HydrophobicContact CB-CD1 3.9Å; H22-I24 HydrophobicContact CB-CG1 3.94Å; H22-I24 PolarHBondContact O-N 2.85Å
23G49.4Very low52.1Low67 Ų6777.2 Ų77.269%0.69138%0.383SS*.THydrogen-bonded Turntrans59.627.1-177.300000112.4S19 D25S19-G23 WeakPolarHBondContact O-CA 3.24Å; S19-G23 PolarHBondContact O-N 2.81Å; S19-G23 VanDerWaalsContact O-N 3.13Å; G23-D25 PolarHBondContact O-N 3.34Å; G23-D25 VanDerWaalsContact O-N 3.16Å
24I48.8Very low51.9Low12 Ų1276 Ų766%0.06237%0.374CS..  trans-72.4111.4179.7-68.5168.2000107.1L18 S19 H22 L26 Y108 M113L18-I24 HydrophobicContact CB-CD1 4.03Å; S19-I24 WeakPolarHBondContact CA-O 3.28Å; S19-I24 WeakPolarHBondContact CB-O 3.31Å; S19-I24 PolarHBondContact O-N 3Å; S19-I24 VanDerWaalsContact O-N 3.15Å; S19-I24 PolarHBondContact OG-O 3.47Å; H22-I24 HydrophobicContact CB-CD1 3.9Å; H22-I24 HydrophobicContact CB-CG1 3.94Å; H22-I24 PolarHBondContact O-N 2.85Å; I24-L26 PolarHBondContact O-N 2.88Å; I24-Y108 HydrophobicContact CD1-CD1 3.91Å; I24-Y108 HydrophobicContact CD1-CD2 4Å; I24-Y108 HydrophobicContact CD1-CE1 3.68Å; I24-Y108 HydrophobicContact CD1-CE2 3.77Å; I24-Y108 HydrophobicContact CD1-CG 4.1Å; I24-Y108 HydrophobicContact CG1-CD1 4.22Å; I24-Y108 HydrophobicContact CG1-CE1 3.55Å; I24-Y108 HydrophobicContact CG1-CE2 4.25Å; I24-Y108 HydrophobicContact CG2-CE2 4.26Å; I24-Y108 VanDerWaalsContact CG2-OH 3.25Å; I24-Y108 WeakPolarHBondContact CG2-OH 3.45Å; I24-M113 HydrophobicContact CD1-CE 4.47Å
25D53.9Low51.7Low76 Ų7674.9 Ų74.941%0.40637%0.368SS..  trans-64.5100.3176.9-176.15000110.1G23 K27 Q28 F29G23-D25 PolarHBondContact O-N 3.34Å; G23-D25 VanDerWaalsContact O-N 3.16Å; D25-K27 PolarHBondContact O-N 3.14Å; D25-K27 WeakPolarHBondContact OD1-CA 3.37Å; D25-K27 VanDerWaalsContact OD1-CB 3.23Å; D25-K27 WeakPolarHBondContact OD1-CB 3.31Å; D25-K27 PolarHBondContact OD1-N 3.48Å; D25-Q28 HydrophobicContact CB-CB 4.3Å; D25-Q28 HydrophobicContact CB-CG 4.48Å; D25-Q28 PolarHBondContact O-N 3.36Å; D25-F29 PolarHBondContact O-N 2.89Å
26L48Very low51.6Low45 Ų4581.3 Ų81.324%0.23639%0.392CS..THydrogen-bonded Turntrans-61-22.8175.8-85.5164.9000112.4F16 S19 I24 Q28 F29 S32F16-L26 HydrophobicContact CD2-CD1 4.36Å; S19-L26 VanDerWaalsContact CB-CG 3.4Å; S19-L26 WeakPolarHBondContact OG-CD1 3.49Å; S19-L26 VanDerWaalsContact OG-CG 3.23Å; S19-L26 WeakPolarHBondContact OG-CG 3.36Å; I24-L26 PolarHBondContact O-N 2.88Å; L26-Q28 VanDerWaalsContact C-N 3.33Å; L26-F29 PolarHBondContact O-N 2.94Å; L26-S32 WeakPolarHBondContact CD2-OG 3.23Å; L26-S32 PolarHBondContact O-OG 3.37Å
27K47.1Very low51.7Low200 Ų20078.8 Ų78.887%0.8738%0.382SS*.THydrogen-bonded Turntrans-69.7-31.7174.8-67-178173.6178.60111.7D25 F29D25-K27 PolarHBondContact O-N 3.14Å; D25-K27 WeakPolarHBondContact OD1-CA 3.37Å; D25-K27 VanDerWaalsContact OD1-CB 3.23Å; D25-K27 WeakPolarHBondContact OD1-CB 3.31Å; D25-K27 PolarHBondContact OD1-N 3.48Å; K27-F29 VanDerWaalsContact C-N 3.28Å
28Q47.8Very low51.8Low147 Ų14773.2 Ų73.269%0.68736%0.361SS*.THydrogen-bonded Turntrans-77.4-13.1174.2-83.8-171.2-0.700113.4D25 L26 Y30D25-Q28 HydrophobicContact CB-CB 4.3Å; D25-Q28 HydrophobicContact CB-CG 4.48Å; D25-Q28 PolarHBondContact O-N 3.36Å; L26-Q28 VanDerWaalsContact C-N 3.33Å; Q28-Y30 PolarHBondContact O-N 2.94Å
29F49.6Very low52.2Low19 Ų1977.6 Ų77.68%0.08338%0.379CS..  trans-8698177.9-111.2-131.2000109.8D25 L26 K27 L31 S32 V104 K107 Y108D25-F29 PolarHBondContact O-N 2.89Å; L26-F29 PolarHBondContact O-N 2.94Å; K27-F29 VanDerWaalsContact C-N 3.28Å; F29-L31 HydrophobicContact CB-CB 3.84Å; F29-L31 HydrophobicContact CD1-CB 3.24Å; F29-L31 HydrophobicContact CD1-CD1 3.26Å; F29-L31 HydrophobicContact CD1-CG 3.78Å; F29-L31 HydrophobicContact CE1-CB 4.04Å; F29-L31 HydrophobicContact CE1-CD1 3.05Å; F29-L31 HydrophobicContact CE1-CG 4.08Å; F29-L31 HydrophobicContact CG-CB 3.86Å; F29-L31 HydrophobicContact CG-CD1 4.33Å; F29-L31 HydrophobicContact CZ-CD1 3.99Å; F29-L31 PolarHBondContact O-N 2.96Å; F29-S32 PolarHBondContact O-N 3.06Å; F29-V104 HydrophobicContact CE1-CB 4.4Å; F29-V104 HydrophobicContact CE1-CG1 4.4Å; F29-V104 HydrophobicContact CE1-CG2 3.56Å; F29-V104 HydrophobicContact CZ-CG1 4.48Å; F29-V104 HydrophobicContact CZ-CG2 4.1Å; F29-K107 HydrophobicContact CE2-CD 3.98Å; F29-K107 HydrophobicContact CZ-CD 4.39Å; F29-Y108 AromaticContact CE2-CE2 3.83Å; F29-Y108 HydrophobicContact CE2-CE2 3.83Å; F29-Y108 WeakPolarHBondContact CE2-OH 3.06Å; F29-Y108 AromaticContact CZ-CE2 3.69Å; F29-Y108 HydrophobicContact CZ-CE2 3.69Å
30Y50.6Low52.5Low157 Ų15782.1 Ų82.162%0.61640%0.397SS*.Hα-helixtrans-34-27.8156.9-178.5-99000113.3Q28 K33 R34Q28-Y30 PolarHBondContact O-N 2.94Å; Y30-K33 WeakPolarHBondContact O-CB 3.22Å; Y30-K33 PolarHBondContact O-N 3.46Å; Y30-R34 HydrophobicContact CD1-CG 3.81Å; Y30-R34 HydrophobicContact CE1-CG 3.45Å; Y30-R34 VanDerWaalsContact CE1-CG 3.45Å; Y30-R34 PolarHBondContact O-N 2.76Å; Y30-R34 PolarHBondContact OH-NE 3.05Å; Y30-R34 VanDerWaalsContact OH-NE 3.16Å; Y30-R34 PolarHBondContact OH-NH2 3.21Å; Y30-R34 VanDerWaalsContact OH-NH2 3.1Å
31L51.2Low52.8Low15 Ų1580 Ų808%0.07939%0.39CS..Hα-helixtrans-58.8-42.4174-107.5159.6000117.7F29 K33 R34 I35 I100 V104F29-L31 HydrophobicContact CB-CB 3.84Å; F29-L31 HydrophobicContact CD1-CB 3.24Å; F29-L31 HydrophobicContact CD1-CD1 3.26Å; F29-L31 HydrophobicContact CD1-CG 3.78Å; F29-L31 HydrophobicContact CE1-CB 4.04Å; F29-L31 HydrophobicContact CE1-CD1 3.05Å; F29-L31 HydrophobicContact CE1-CG 4.08Å; F29-L31 HydrophobicContact CG-CB 3.86Å; F29-L31 HydrophobicContact CG-CD1 4.33Å; F29-L31 HydrophobicContact CZ-CD1 3.99Å; F29-L31 PolarHBondContact O-N 2.96Å; L31-K33 VanDerWaalsContact C-N 3.25Å; L31-K33 PolarHBondContact O-N 2.93Å; L31-R34 PolarHBondContact O-N 2.84Å; L31-I35 HydrophobicContact CD2-CD1 3.77Å; L31-I35 HydrophobicContact CD2-CG1 4.1Å; L31-I35 WeakPolarHBondContact O-CB 3.42Å; L31-I35 VanDerWaalsContact O-CG1 3.26Å; L31-I35 WeakPolarHBondContact O-CG1 3.3Å; L31-I35 PolarHBondContact O-N 2.87Å; L31-I100 HydrophobicContact CD1-CG2 3.94Å; L31-I100 HydrophobicContact CD2-CB 3.78Å; L31-I100 HydrophobicContact CD2-CD1 3.6Å; L31-I100 HydrophobicContact CD2-CG1 3.55Å; L31-I100 HydrophobicContact CD2-CG2 3.09Å; L31-I100 HydrophobicContact CG-CG1 4.26Å; L31-I100 HydrophobicContact CG-CG2 4.08Å; L31-V104 HydrophobicContact CD1-CG2 3.74Å
32S50.2Low53.3Low39 Ų3978 Ų7827%0.27338%0.375SS..Hα-helixtrans-63.6-39175.2-63.90000110.6L26 F29 Y36L26-S32 WeakPolarHBondContact CD2-OG 3.23Å; L26-S32 PolarHBondContact O-OG 3.37Å; F29-S32 PolarHBondContact O-N 3.06Å; S32-Y36 WeakPolarHBondContact O-CB 3.48Å; S32-Y36 PolarHBondContact O-N 3.42Å
33K57Low53.8Low133 Ų13379 Ų7958%0.57838%0.381SS*.Hα-helixtrans-64.7-48.6175.6-171.6-175.7-179.8-166.90110.7Y30 L31 Y36 E37Y30-K33 WeakPolarHBondContact O-CB 3.22Å; Y30-K33 PolarHBondContact O-N 3.46Å; L31-K33 VanDerWaalsContact C-N 3.25Å; L31-K33 PolarHBondContact O-N 2.93Å; K33-Y36 WeakPolarHBondContact O-CB 3.5Å; K33-Y36 PolarHBondContact O-N 2.86Å; K33-E37 WeakPolarHBondContact CE-OE1 3.46Å; K33-E37 IonicContact NZ-OE1 3.94Å; K33-E37 WeakPolarHBondContact O-CB 3.27Å; K33-E37 VanDerWaalsContact O-CG 3.31Å; K33-E37 WeakPolarHBondContact O-CG 3.35Å; K33-E37 PolarHBondContact O-N 3.49Å
34R57Low54.4Low96 Ų9678.9 Ų78.936%0.36236%0.364SS..Hα-helixtrans-61.9-45.2177.7-83.3-73179.6171.2-2.9113.2Y30 L31 Y36 E37 I38Y30-R34 HydrophobicContact CD1-CG 3.81Å; Y30-R34 HydrophobicContact CE1-CG 3.45Å; Y30-R34 VanDerWaalsContact CE1-CG 3.45Å; Y30-R34 PolarHBondContact O-N 2.76Å; Y30-R34 PolarHBondContact OH-NE 3.05Å; Y30-R34 VanDerWaalsContact OH-NE 3.16Å; Y30-R34 PolarHBondContact OH-NH2 3.21Å; Y30-R34 VanDerWaalsContact OH-NH2 3.1Å; L31-R34 PolarHBondContact O-N 2.84Å; R34-Y36 VanDerWaalsContact C-N 3.29Å; R34-Y36 PolarHBondContact O-N 3.41Å; R34-E37 WeakPolarHBondContact CD-OE2 2.9Å; R34-E37 IonicContact NE-OE2 2.76Å; R34-E37 CarbonylContact O-C 3.42Å; R34-E37 WeakPolarHBondContact O-CB 3.08Å; R34-E37 PolarHBondContact O-N 2.05Å; R34-E37 VanDerWaalsContact O-N 3.15Å; R34-I38 VanDerWaalsContact O-CG1 3.28Å; R34-I38 WeakPolarHBondContact O-CG1 3.18Å; R34-I38 PolarHBondContact O-N 3.43Å
35I55.1Low54.7Low1 Ų181.2 Ų81.21%0.00537%0.373CS..Hα-helixtrans-64.6-37.6177-66.1169.9000110.9L8 L11 F12 L15 L31 I38 K39 I100L8-I35 HydrophobicContact CD2-CG2 3.71Å; L11-I35 HydrophobicContact CD2-CD1 3.72Å; L11-I35 HydrophobicContact CD2-CG1 4.21Å; L11-I35 HydrophobicContact CG-CD1 4.19Å; F12-I35 HydrophobicContact CD2-CG2 3.71Å; F12-I35 HydrophobicContact CE2-CB 4.4Å; F12-I35 HydrophobicContact CE2-CG2 3.35Å; F12-I35 HydrophobicContact CZ-CG2 4.21Å; L15-I35 HydrophobicContact CD1-CD1 3.14Å; L31-I35 HydrophobicContact CD2-CD1 3.77Å; L31-I35 HydrophobicContact CD2-CG1 4.1Å; L31-I35 WeakPolarHBondContact O-CB 3.42Å; L31-I35 VanDerWaalsContact O-CG1 3.26Å; L31-I35 WeakPolarHBondContact O-CG1 3.3Å; L31-I35 PolarHBondContact O-N 2.87Å; I35-I38 PolarHBondContact O-N 2.85Å; I35-K39 WeakPolarHBondContact O-CB 3.34Å; I35-K39 PolarHBondContact O-N 3.27Å; I35-I100 HydrophobicContact CG1-CD1 4.28Å
36Y56.7Low55Low145 Ų14581.9 Ų81.957%0.56938%0.376SS*.Hα-helixtrans-64.5-41.6173-177.5-93.5000112S32 K33 R34 K39 K40S32-Y36 WeakPolarHBondContact O-CB 3.48Å; S32-Y36 PolarHBondContact O-N 3.42Å; K33-Y36 WeakPolarHBondContact O-CB 3.5Å; K33-Y36 PolarHBondContact O-N 2.86Å; R34-Y36 VanDerWaalsContact C-N 3.29Å; R34-Y36 PolarHBondContact O-N 3.41Å; Y36-K39 PolarHBondContact O-N 3.11Å; Y36-K40 HydrophobicContact CE1-CD 4.35Å; Y36-K40 VanDerWaalsContact O-CB 3.27Å; Y36-K40 WeakPolarHBondContact O-CB 3.27Å; Y36-K40 PolarHBondContact O-N 3.06Å
37E60.7Low55.6Low68 Ų6887.1 Ų87.132%0.31839%0.393SS..Hα-helixtrans-60.7-48173.4-74.3168.6176.200110.9K33 R34 K39 K40 S41K33-E37 WeakPolarHBondContact CE-OE1 3.46Å; K33-E37 IonicContact NZ-OE1 3.94Å; K33-E37 WeakPolarHBondContact O-CB 3.27Å; K33-E37 VanDerWaalsContact O-CG 3.31Å; K33-E37 WeakPolarHBondContact O-CG 3.35Å; K33-E37 PolarHBondContact O-N 3.49Å; R34-E37 WeakPolarHBondContact CD-OE2 2.9Å; R34-E37 IonicContact NE-OE2 2.76Å; R34-E37 CarbonylContact O-C 3.42Å; R34-E37 WeakPolarHBondContact O-CB 3.08Å; R34-E37 PolarHBondContact O-N 2.05Å; R34-E37 VanDerWaalsContact O-N 3.15Å; E37-K39 PolarHBondContact O-N 2.89Å; E37-K40 CarbonylContact O-C 3.59Å; E37-K40 PolarHBondContact O-N 3.41Å; E37-K40 VanDerWaalsContact O-N 3.14Å; E37-S41 WeakPolarHBondContact O-CB 3.38Å; E37-S41 PolarHBondContact O-N 3.23Å; E37-S41 PolarHBondContact O-OG 2.84Å; E37-S41 VanDerWaalsContact O-OG 3.11Å
38I57.5Low56Low9 Ų980.6 Ų80.65%0.04637%0.368CS..Hα-helixtrans-55.6-49.4174.3-69.8166.9000111.2L8 R34 I35 K40 S41 L42 I93 E96 I100L8-I38 HydrophobicContact CD1-CG2 4.26Å; L8-I38 HydrophobicContact CD2-CG2 4.21Å; R34-I38 VanDerWaalsContact O-CG1 3.28Å; R34-I38 WeakPolarHBondContact O-CG1 3.18Å; R34-I38 PolarHBondContact O-N 3.43Å; I35-I38 PolarHBondContact O-N 2.85Å; I38-K40 VanDerWaalsContact C-N 3.32Å; I38-K40 PolarHBondContact O-N 3.02Å; I38-S41 PolarHBondContact O-N 2.87Å; I38-L42 HydrophobicContact CG2-CD1 4.38Å; I38-L42 PolarHBondContact O-N 3.23Å; I38-I93 HydrophobicContact CG2-CB 4.35Å; I38-I93 HydrophobicContact CG2-CD1 3.76Å; I38-I93 HydrophobicContact CG2-CG1 3.73Å; I38-I93 HydrophobicContact CG2-CG2 3.77Å; I38-E96 HydrophobicContact CD1-CB 4.31Å; I38-E96 WeakPolarHBondContact CD1-OE2 3.34Å; I38-E96 WeakPolarHBondContact CG1-OE2 3.47Å; I38-I100 HydrophobicContact CD1-CD1 4.41Å
39K57.1Low56.4Low106 Ų10675.3 Ų75.346%0.46134%0.344SS..Hα-helixtrans-61.4-42.4177.9-178.8-177.6176.3-177.90111.3I35 Y36 E37 L42 M43I35-K39 WeakPolarHBondContact O-CB 3.34Å; I35-K39 PolarHBondContact O-N 3.27Å; Y36-K39 PolarHBondContact O-N 3.11Å; E37-K39 PolarHBondContact O-N 2.89Å; K39-L42 PolarHBondContact O-N 3.38Å; K39-M43 HydrophobicContact CG-SD 4.45Å; K39-M43 WeakPolarHBondContact O-CG 3.21Å; K39-M43 PolarHBondContact O-N 2.83Å
40K59.1Low57.1Low115 Ų11578.8 Ų78.850%0.537%0.367SS..Hα-helixtrans-66-41.3178.8-171.6-179.1178.2-173.50110.9Y36 E37 I38 M43 N44Y36-K40 HydrophobicContact CE1-CD 4.35Å; Y36-K40 VanDerWaalsContact O-CB 3.27Å; Y36-K40 WeakPolarHBondContact O-CB 3.27Å; Y36-K40 PolarHBondContact O-N 3.06Å; E37-K40 CarbonylContact O-C 3.59Å; E37-K40 PolarHBondContact O-N 3.41Å; E37-K40 VanDerWaalsContact O-N 3.14Å; I38-K40 VanDerWaalsContact C-N 3.32Å; I38-K40 PolarHBondContact O-N 3.02Å; K40-M43 PolarHBondContact O-N 3Å; K40-N44 VanDerWaalsContact O-CB 3.27Å; K40-N44 WeakPolarHBondContact O-CB 3.47Å; K40-N44 PolarHBondContact O-N 2.89Å
41S56.8Low57.6Low59 Ų5974.9 Ų74.941%0.41336%0.356SS..Hα-helixtrans-58.3-51.2172.7-64.60000110.2E37 I38 M43 N44 Y45E37-S41 WeakPolarHBondContact O-CB 3.38Å; E37-S41 PolarHBondContact O-N 3.23Å; E37-S41 PolarHBondContact O-OG 2.84Å; E37-S41 VanDerWaalsContact O-OG 3.11Å; I38-S41 PolarHBondContact O-N 2.87Å; S41-M43 PolarHBondContact O-N 3.49Å; S41-N44 CarbonylContact O-C 3.55Å; S41-N44 PolarHBondContact O-N 3.24Å; S41-Y45 VanDerWaalsContact C-CD2 3.48Å; S41-Y45 WeakPolarHBondContact O-CD2 3.43Å; S41-Y45 PolarHBondContact O-N 2.96Å
42L56.4Low57.7Low25 Ų2576.1 Ų76.113%0.13136%0.361CS..Hα-helixtrans-54.9-47.7175.6-83.2166.5000113.5L8 I38 K39 Y45 D46 I89 I93L8-L42 HydrophobicContact CD1-CD1 3.29Å; I38-L42 HydrophobicContact CG2-CD1 4.38Å; I38-L42 PolarHBondContact O-N 3.23Å; K39-L42 PolarHBondContact O-N 3.38Å; L42-Y45 WeakPolarHBondContact O-CB 3.38Å; L42-Y45 PolarHBondContact O-N 3.43Å; L42-D46 PolarHBondContact O-N 3.34Å; L42-I89 HydrophobicContact CD2-CG2 4.21Å; L42-I93 HydrophobicContact CD1-CD1 3.59Å; L42-I93 HydrophobicContact CD2-CD1 3.66Å; L42-I93 HydrophobicContact CG-CD1 3.46Å; L42-I93 VanDerWaalsContact CG-CD1 3.46Å
43M59.1Low58.2Low126 Ų12678.8 Ų78.862%0.62137%0.368SS*.Hα-helixtrans-66.6-39.9179.1-73.3-176.567.200112.2K39 K40 S41 Y45 R47K39-M43 HydrophobicContact CG-SD 4.45Å; K39-M43 WeakPolarHBondContact O-CG 3.21Å; K39-M43 PolarHBondContact O-N 2.83Å; K40-M43 PolarHBondContact O-N 3Å; S41-M43 PolarHBondContact O-N 3.49Å; M43-Y45 PolarHBondContact O-N 3.36Å; M43-R47 PolarHBondContact O-N 3.16Å
44N61.9Low58.7Low63 Ų6376.1 Ų76.134%0.33737%0.366SS..Hα-helixtrans-64.8-32.6173.8-81.6-12.3000111K40 S41 R47 L48K40-N44 VanDerWaalsContact O-CB 3.27Å; K40-N44 WeakPolarHBondContact O-CB 3.47Å; K40-N44 PolarHBondContact O-N 2.89Å; S41-N44 CarbonylContact O-C 3.55Å; S41-N44 PolarHBondContact O-N 3.24Å; N44-R47 CarbonylContact O-C 3.59Å; N44-R47 WeakPolarHBondContact O-CB 3.24Å; N44-R47 PolarHBondContact O-N 3.42Å; N44-L48 WeakPolarHBondContact O-CB 3.43Å; N44-L48 VanDerWaalsContact O-CG 3.24Å; N44-L48 WeakPolarHBondContact O-CG 3.42Å; N44-L48 PolarHBondContact O-N 3.1Å
45Y57.1Low58.8Low61 Ų6175.8 Ų75.824%0.23937%0.369CS..Hα-helixtrans-65.5-44.8177.5-85.4-64.7000113S41 L42 M43 R47 L48 I49 I89S41-Y45 VanDerWaalsContact C-CD2 3.48Å; S41-Y45 WeakPolarHBondContact O-CD2 3.43Å; S41-Y45 PolarHBondContact O-N 2.96Å; L42-Y45 WeakPolarHBondContact O-CB 3.38Å; L42-Y45 PolarHBondContact O-N 3.43Å; M43-Y45 PolarHBondContact O-N 3.36Å; Y45-R47 PolarHBondContact O-N 2.96Å; Y45-L48 HydrophobicContact CD1-CD1 4.23Å; Y45-L48 HydrophobicContact CE1-CD1 4.47Å; Y45-L48 PolarHBondContact O-N 2.89Å; Y45-L48 VanDerWaalsContact O-N 3.11Å; Y45-I49 WeakPolarHBondContact O-CB 3.45Å; Y45-I49 VanDerWaalsContact O-CG1 3.26Å; Y45-I49 WeakPolarHBondContact O-CG1 3.47Å; Y45-I49 PolarHBondContact O-N 3.26Å; Y45-I89 HydrophobicContact CD1-CD1 3.67Å; Y45-I89 HydrophobicContact CD2-CD1 3.8Å; Y45-I89 HydrophobicContact CD2-CG2 4.34Å; Y45-I89 HydrophobicContact CE1-CD1 3.59Å; Y45-I89 HydrophobicContact CE2-CD1 3.75Å; Y45-I89 HydrophobicContact CE2-CG1 4.2Å; Y45-I89 HydrophobicContact CE2-CG2 4.32Å; Y45-I89 HydrophobicContact CG-CD1 3.8Å
46D58.7Low58.9Low90 Ų9076.7 Ų76.748%0.48137%0.373SS..Hα-helixtrans-59-37.2175.4-81.4-27.3000110.9L42 T50L42-D46 PolarHBondContact O-N 3.34Å; D46-T50 WeakPolarHBondContact O-CB 3.3Å; D46-T50 PolarHBondContact O-N 3.37Å; D46-T50 PolarHBondContact O-OG1 3.17Å
47R61.1Low59.3Low155 Ų15573.8 Ų73.859%0.58536%0.364SS*.Hα-helixtrans-68.5-43.9173.5-166.1-178.275.9159.85.1112.5M43 N44 Y45 T50 N51M43-R47 PolarHBondContact O-N 3.16Å; N44-R47 CarbonylContact O-C 3.59Å; N44-R47 WeakPolarHBondContact O-CB 3.24Å; N44-R47 PolarHBondContact O-N 3.42Å; Y45-R47 PolarHBondContact O-N 2.96Å; R47-T50 PolarHBondContact O-N 3.08Å; R47-N51 WeakPolarHBondContact O-CB 3.36Å; R47-N51 VanDerWaalsContact O-CG 3.31Å; R47-N51 PolarHBondContact O-N 2.68Å; R47-N51 PolarHBondContact O-OD1 3.48Å
48L55.1Low59.5Low64 Ų6476 Ų7634%0.33537%0.374SS..Hα-helixtrans-63-48.6178.2-76167.8000110.3N44 Y45 T50 N51 E52N44-L48 WeakPolarHBondContact O-CB 3.43Å; N44-L48 VanDerWaalsContact O-CG 3.24Å; N44-L48 WeakPolarHBondContact O-CG 3.42Å; N44-L48 PolarHBondContact O-N 3.1Å; Y45-L48 HydrophobicContact CD1-CD1 4.23Å; Y45-L48 HydrophobicContact CE1-CD1 4.47Å; Y45-L48 PolarHBondContact O-N 2.89Å; Y45-L48 VanDerWaalsContact O-N 3.11Å; L48-T50 VanDerWaalsContact C-N 3.28Å; L48-T50 PolarHBondContact O-N 2.91Å; L48-N51 CarbonylContact O-C 3.57Å; L48-N51 PolarHBondContact O-N 3.08Å; L48-N51 VanDerWaalsContact O-N 3.14Å; L48-E52 WeakPolarHBondContact O-CB 3.49Å; L48-E52 WeakPolarHBondContact O-CG 3.5Å; L48-E52 PolarHBondContact O-N 3.24Å
49I57.6Low59.5Low36 Ų3679.6 Ų79.619%0.18539%0.39CS..Hα-helixtrans-58-42.5176-70.1171.7000110.8Y45 K53 T82 K86Y45-I49 WeakPolarHBondContact O-CB 3.45Å; Y45-I49 VanDerWaalsContact O-CG1 3.26Å; Y45-I49 WeakPolarHBondContact O-CG1 3.47Å; Y45-I49 PolarHBondContact O-N 3.26Å; I49-K53 VanDerWaalsContact O-CB 3.22Å; I49-K53 WeakPolarHBondContact O-CB 3.32Å; I49-K53 PolarHBondContact O-N 3.48Å; I49-T82 HydrophobicContact CB-CG2 4.47Å; I49-T82 HydrophobicContact CD1-CG2 3.99Å; I49-T82 HydrophobicContact CG1-CG2 4.24Å; I49-T82 HydrophobicContact CG2-CG2 3.43Å; I49-T82 VanDerWaalsContact CG2-CG2 3.43Å; I49-K86 HydrophobicContact CD1-CD 4.23Å; I49-K86 HydrophobicContact CD1-CG 3.82Å
50T63.8Low59.5Low92 Ų9275 Ų7556%0.56437%0.371SS*.Hα-helixtrans-64.6-45.1176.7-57.10000111.3D46 R47 L48 S54D46-T50 WeakPolarHBondContact O-CB 3.3Å; D46-T50 PolarHBondContact O-N 3.37Å; D46-T50 PolarHBondContact O-OG1 3.17Å; R47-T50 PolarHBondContact O-N 3.08Å; L48-T50 VanDerWaalsContact C-N 3.28Å; L48-T50 PolarHBondContact O-N 2.91Å; T50-S54 WeakPolarHBondContact O-CB 3.24Å; T50-S54 PolarHBondContact O-N 3.13Å
51N60.8Low59.9Low74 Ų7474.1 Ų74.140%0.39637%0.371SS..Hα-helixtrans-65.6-45.1178.2-77.32.2000112R47 L48 S54 Q55R47-N51 WeakPolarHBondContact O-CB 3.36Å; R47-N51 VanDerWaalsContact O-CG 3.31Å; R47-N51 PolarHBondContact O-N 2.68Å; R47-N51 PolarHBondContact O-OD1 3.48Å; L48-N51 CarbonylContact O-C 3.57Å; L48-N51 PolarHBondContact O-N 3.08Å; L48-N51 VanDerWaalsContact O-N 3.14Å; N51-S54 WeakPolarHBondContact O-CB 3.49Å; N51-S54 PolarHBondContact O-N 2.94Å; N51-Q55 WeakPolarHBondContact O-CG 3.35Å; N51-Q55 PolarHBondContact O-N 3.43Å
52E54Low60.3Low41 Ų4177.8 Ų77.819%0.19238%0.382CS..Hα-helixtrans-64.7-42.9177.5-70.5-52.6135.900110.7L48 S54 Q55 F56 K165L48-E52 WeakPolarHBondContact O-CB 3.49Å; L48-E52 WeakPolarHBondContact O-CG 3.5Å; L48-E52 PolarHBondContact O-N 3.24Å; E52-S54 VanDerWaalsContact C-N 3.27Å; E52-S54 PolarHBondContact O-N 3.43Å; E52-Q55 PolarHBondContact O-N 2.76Å; E52-F56 WeakPolarHBondContact O-CB 3.37Å; E52-F56 PolarHBondContact O-N 3.27Å; E52-K165 WeakPolarHBondContact OE1-CD 3.38Å; E52-K165 IonicContact OE1-NZ 2.89Å; E52-K165 PolarHBondContact OE1-NZ 2.97Å; E52-K165 VanDerWaalsContact OE1-NZ 3.17Å; E52-K165 WeakPolarHBondContact OE2-CD 3.39Å; E52-K165 IonicContact OE2-NZ 2.78Å; E52-K165 PolarHBondContact OE2-NZ 3.16Å
53K60.6Low60.2Low96 Ų9679.4 Ų79.442%0.41739%0.389SS..Hα-helixtrans-58.6-41.2173.1-175.3170.5-179.9166.70111I49 Q57 E75I49-K53 VanDerWaalsContact O-CB 3.22Å; I49-K53 WeakPolarHBondContact O-CB 3.32Å; I49-K53 PolarHBondContact O-N 3.48Å; K53-Q57 WeakPolarHBondContact O-CB 3.39Å; K53-Q57 PolarHBondContact O-N 3.39Å; K53-E75 IonicContact NZ-OE1 3.75Å; K53-E75 PolarHBondContact NZ-OE1 3.33Å
54S66.1Low60Low76 Ų7679.6 Ų79.653%0.53139%0.393SS..Hα-helixtrans-67.6-47.8178.3-167.30000112.7T50 N51 E52 F56 Q57 E58T50-S54 WeakPolarHBondContact O-CB 3.24Å; T50-S54 PolarHBondContact O-N 3.13Å; N51-S54 WeakPolarHBondContact O-CB 3.49Å; N51-S54 PolarHBondContact O-N 2.94Å; E52-S54 VanDerWaalsContact C-N 3.27Å; E52-S54 PolarHBondContact O-N 3.43Å; S54-F56 VanDerWaalsContact C-N 3.26Å; S54-F56 PolarHBondContact O-N 2.82Å; S54-Q57 PolarHBondContact O-N 3.01Å; S54-E58 PolarHBondContact O-N 3.23Å
55Q59.5Low59.5Low90 Ų9081 Ų8142%0.42140%0.4SS..Hα-helixtrans-65.1-34.3178.1-73-179.2-3.500111.7N51 E52 E58 K59N51-Q55 WeakPolarHBondContact O-CG 3.35Å; N51-Q55 PolarHBondContact O-N 3.43Å; E52-Q55 PolarHBondContact O-N 2.76Å; Q55-E58 PolarHBondContact O-N 3.36Å; Q55-K59 PolarHBondContact O-N 2.97Å
56F58.1Low59.1Low20 Ų2083.4 Ų83.49%0.08842%0.422CS..Hα-helixtrans-66.1-46.3173.4-178.9-96.3000111.5E52 S54 E58 K59 L60 I74 F78 L158E52-F56 WeakPolarHBondContact O-CB 3.37Å; E52-F56 PolarHBondContact O-N 3.27Å; S54-F56 VanDerWaalsContact C-N 3.26Å; S54-F56 PolarHBondContact O-N 2.82Å; F56-E58 VanDerWaalsContact C-N 3.26Å; F56-E58 PolarHBondContact O-N 2.79Å; F56-K59 PolarHBondContact O-N 2.93Å; F56-L60 HydrophobicContact CE1-CB 4.31Å; F56-L60 HydrophobicContact CE1-CD1 3.87Å; F56-L60 HydrophobicContact CZ-CD1 3.65Å; F56-L60 WeakPolarHBondContact O-CB 3.47Å; F56-L60 PolarHBondContact O-N 3.09Å; F56-I74 HydrophobicContact CE1-CG2 3.43Å; F56-I74 VanDerWaalsContact CE1-CG2 3.43Å; F56-I74 HydrophobicContact CZ-CG2 3.55Å; F56-F78 HydrophobicContact CB-CE1 4.3Å; F56-F78 HydrophobicContact CD1-CD1 4.2Å; F56-F78 AromaticContact CD1-CD2 3.77Å; F56-F78 HydrophobicContact CD1-CD2 3.77Å; F56-F78 AromaticContact CD1-CE1 3.97Å; F56-F78 HydrophobicContact CD1-CE1 3.97Å; F56-F78 AromaticContact CD1-CE2 3.6Å; F56-F78 HydrophobicContact CD1-CE2 3.6Å; F56-F78 HydrophobicContact CD1-CG 4.12Å; F56-F78 AromaticContact CD1-CZ 3.71Å; F56-F78 HydrophobicContact CD1-CZ 3.71Å; F56-F78 AromaticContact CD2-CE1 3.63Å; F56-F78 HydrophobicContact CD2-CE1 3.63Å; F56-F78 AromaticContact CD2-CE2 3.75Å; F56-F78 HydrophobicContact CD2-CE2 3.75Å; F56-F78 AromaticContact CD2-CZ 3.14Å; F56-F78 HydrophobicContact CD2-CZ 3.14Å; F56-F78 AromaticContact CE1-CD2 3.44Å; F56-F78 HydrophobicContact CE1-CD2 3.44Å; F56-F78 VanDerWaalsContact CE1-CD2 3.44Å; F56-F78 HydrophobicContact CE1-CE1 4.33Å; F56-F78 AromaticContact CE1-CE2 3.12Å; F56-F78 HydrophobicContact CE1-CE2 3.12Å; F56-F78 HydrophobicContact CE1-CG 4.24Å; F56-F78 AromaticContact CE1-CZ 3.63Å; F56-F78 HydrophobicContact CE1-CZ 3.63Å; F56-F78 HydrophobicContact CE2-CD2 4.37Å; F56-F78 HydrophobicContact CE2-CE1 4.01Å; F56-F78 AromaticContact CE2-CE2 3.29Å; F56-F78 HydrophobicContact CE2-CE2 3.29Å; F56-F78 AromaticContact CE2-CZ 3.05Å; F56-F78 HydrophobicContact CE2-CZ 3.05Å; F56-F78 HydrophobicContact CG-CD1 4.2Å; F56-F78 HydrophobicContact CG-CD2 4.38Å; F56-F78 AromaticContact CG-CE1 3.62Å; F56-F78 HydrophobicContact CG-CE1 3.62Å; F56-F78 AromaticContact CG-CE2 3.9Å; F56-F78 HydrophobicContact CG-CE2 3.9Å; F56-F78 AromaticContact CG-CZ 3.49Å; F56-F78 HydrophobicContact CG-CZ 3.49Å; F56-F78 VanDerWaalsContact CG-CZ 3.49Å; F56-F78 AromaticContact CZ-CD2 3.79Å; F56-F78 HydrophobicContact CZ-CD2 3.79Å; F56-F78 HydrophobicContact CZ-CE1 4.36Å; F56-F78 AromaticContact CZ-CE2 2.95Å; F56-F78 HydrophobicContact CZ-CE2 2.95Å; F56-F78 AromaticContact CZ-CZ 3.32Å; F56-F78 HydrophobicContact CZ-CZ 3.32Å; F56-L158 HydrophobicContact CD2-CD2 3.47Å; F56-L158 VanDerWaalsContact CD2-CD2 3.47Å; F56-L158 HydrophobicContact CE2-CD1 3.97Å; F56-L158 HydrophobicContact CE2-CD2 3.45Å; F56-L158 VanDerWaalsContact CE2-CD2 3.45Å; F56-L158 HydrophobicContact CE2-CG 4.35Å
57Q64.5Low58.8Low83 Ų8381.2 Ų81.239%0.38842%0.416SS..Hα-helixtrans-58.3-42.1175.8-172.862.653.500111.2K53 S54 L60 D61K53-Q57 WeakPolarHBondContact O-CB 3.39Å; K53-Q57 PolarHBondContact O-N 3.39Å; S54-Q57 PolarHBondContact O-N 3.01Å; Q57-L60 WeakPolarHBondContact O-CB 3.31Å; Q57-L60 PolarHBondContact O-N 3.05Å; Q57-L60 VanDerWaalsContact O-N 3.16Å; Q57-D61 PolarHBondContact NE2-OD1 3.1Å; Q57-D61 WeakPolarHBondContact O-CB 3.47Å; Q57-D61 PolarHBondContact O-N 2.93Å
58E65.6Low58.2Low114 Ų11474.8 Ų74.853%0.53339%0.392SS..Hα-helixtrans-60.2-48.4175.6-172.1175.5-163.600111.9S54 Q55 F56 L60 D61 E62S54-E58 PolarHBondContact O-N 3.23Å; Q55-E58 PolarHBondContact O-N 3.36Å; F56-E58 VanDerWaalsContact C-N 3.26Å; F56-E58 PolarHBondContact O-N 2.79Å; E58-L60 VanDerWaalsContact C-N 3.28Å; E58-L60 PolarHBondContact O-N 2.89Å; E58-D61 PolarHBondContact O-N 3.26Å; E58-E62 WeakPolarHBondContact O-CG 3.39Å; E58-E62 PolarHBondContact O-N 3.44Å
59K57.7Low57.9Low86 Ų8679 Ų7937%0.37442%0.415SS..Hα-helixtrans-60-37.9173.1-82.9-168.5176.4-174.20112.2Q55 F56 E62 M63 D161Q55-K59 PolarHBondContact O-N 2.97Å; F56-K59 PolarHBondContact O-N 2.93Å; K59-E62 PolarHBondContact O-N 2.91Å; K59-M63 VanDerWaalsContact O-CG 3.31Å; K59-M63 WeakPolarHBondContact O-CG 3.25Å; K59-M63 PolarHBondContact O-N 3.09Å; K59-D161 IonicContact NZ-OD2 2.64Å; K59-D161 PolarHBondContact NZ-OD2 3.33Å
60L56.9Low57.7Low10 Ų1081.3 Ų81.35%0.05243%0.425CS..Hα-helixtrans-64.1-44.1177.7-159.783.8000111.3F56 Q57 E58 E62 M63 F68 I74F56-L60 HydrophobicContact CE1-CB 4.31Å; F56-L60 HydrophobicContact CE1-CD1 3.87Å; F56-L60 HydrophobicContact CZ-CD1 3.65Å; F56-L60 WeakPolarHBondContact O-CB 3.47Å; F56-L60 PolarHBondContact O-N 3.09Å; Q57-L60 WeakPolarHBondContact O-CB 3.31Å; Q57-L60 PolarHBondContact O-N 3.05Å; Q57-L60 VanDerWaalsContact O-N 3.16Å; E58-L60 VanDerWaalsContact C-N 3.28Å; E58-L60 PolarHBondContact O-N 2.89Å; L60-E62 VanDerWaalsContact C-N 3.35Å; L60-M63 HydrophobicContact CD1-CE 4.09Å; L60-M63 PolarHBondContact O-N 3.4Å; L60-F68 HydrophobicContact CD1-CD2 4.43Å; L60-I74 HydrophobicContact CD1-CD1 3.49Å; L60-I74 VanDerWaalsContact CD1-CD1 3.49Å; L60-I74 HydrophobicContact CD1-CG2 4.12Å; L60-I74 HydrophobicContact CD2-CD1 4.32Å; L60-I74 HydrophobicContact CG-CD1 4.47Å
61D66.4Low57.2Low96 Ų9680.2 Ų80.251%0.51342%0.421SS..Hα-helixtrans-64.3-40.7177.2-63.2-18.5000110.4Q57 E58 M63 N64Q57-D61 PolarHBondContact NE2-OD1 3.1Å; Q57-D61 WeakPolarHBondContact O-CB 3.47Å; Q57-D61 PolarHBondContact O-N 2.93Å; E58-D61 PolarHBondContact O-N 3.26Å; D61-M63 PolarHBondContact O-N 3.32Å; D61-N64 PolarHBondContact O-N 2.99Å
62E64.6Low56.8Low136 Ų13679.6 Ų79.664%0.63643%0.426SS*.Hα-helixtrans-62.9-37.8174.3-75.3179.4175.300113.3E58 K59 L60 N64E58-E62 WeakPolarHBondContact O-CG 3.39Å; E58-E62 PolarHBondContact O-N 3.44Å; K59-E62 PolarHBondContact O-N 2.91Å; L60-E62 VanDerWaalsContact C-N 3.35Å; E62-N64 PolarHBondContact O-N 3.31Å
63M55.9Low57.4Low59 Ų5978 Ų7829%0.29142%0.42SS..THydrogen-bonded Turntrans-71.87.6177.4-70.1-170.2-48.800113.8K59 L60 D61 N65 F68 V154K59-M63 VanDerWaalsContact O-CG 3.31Å; K59-M63 WeakPolarHBondContact O-CG 3.25Å; K59-M63 PolarHBondContact O-N 3.09Å; L60-M63 HydrophobicContact CD1-CE 4.09Å; L60-M63 PolarHBondContact O-N 3.4Å; D61-M63 PolarHBondContact O-N 3.32Å; M63-N65 VanDerWaalsContact C-N 3.32Å; M63-N65 PolarHBondContact O-N 2.97Å; M63-F68 HydrophobicContact CE-CD2 3.66Å; M63-F68 HydrophobicContact CE-CE2 3.16Å; M63-F68 HydrophobicContact CE-CZ 4.04Å; M63-F68 HydrophobicContact SD-CE2 4.02Å; M63-V154 HydrophobicContact SD-CG1 3.87Å
64N54.1Low57.4Low130 Ų13073.6 Ų73.670%0.69540%0.401SS*.THydrogen-bonded Turntrans63.128.2162.9-113.1-13.5000115.2D61 E62 T66D61-N64 PolarHBondContact O-N 2.99Å; E62-N64 PolarHBondContact O-N 3.31Å; N64-T66 PolarHBondContact O-N 2.83Å; N64-T66 PolarHBondContact O-OG1 2.87Å
65N50.8Low57.4Low92 Ų9275.1 Ų75.149%0.49240%0.4SS..THydrogen-bonded Turntrans51.6-10.5179.8-85.3-36.7000117.1M63 A67 F68M63-N65 VanDerWaalsContact C-N 3.32Å; M63-N65 PolarHBondContact O-N 2.97Å; N65-A67 PolarHBondContact O-N 2.73Å; N65-F68 CarbonylContact O-C 3.55Å; N65-F68 VanDerWaalsContact O-C 3.3Å; N65-F68 PolarHBondContact O-N 3.39Å; N65-F68 VanDerWaalsContact O-N 3.14Å
66T49.9Very low57.8Low112 Ų11276.4 Ų76.469%0.68741%0.406SS*.THydrogen-bonded Turntrans-77.7-31-164.9-19.30000111N64 F68N64-T66 PolarHBondContact O-N 2.83Å; N64-T66 PolarHBondContact O-OG1 2.87Å; T66-F68 VanDerWaalsContact C-N 3.3Å
67A50.8Low58.1Low44 Ų4476 Ų7636%0.36440%0.404SS..THydrogen-bonded Turntrans-79.6-13.7173.600000112.9N65N65-A67 PolarHBondContact O-N 2.73Å
68F48.6Very low58.2Low19 Ų1973.4 Ų73.48%0.08339%0.391CS..  trans-130.867.8-169.3-77.6-74.3000110.3L60 M63 N65 T66 E70 I74 P147 A149L60-F68 HydrophobicContact CD1-CD2 4.43Å; M63-F68 HydrophobicContact CE-CD2 3.66Å; M63-F68 HydrophobicContact CE-CE2 3.16Å; M63-F68 HydrophobicContact CE-CZ 4.04Å; M63-F68 HydrophobicContact SD-CE2 4.02Å; N65-F68 CarbonylContact O-C 3.55Å; N65-F68 VanDerWaalsContact O-C 3.3Å; N65-F68 PolarHBondContact O-N 3.39Å; N65-F68 VanDerWaalsContact O-N 3.14Å; T66-F68 VanDerWaalsContact C-N 3.3Å; F68-E70 PolarHBondContact O-N 3.36Å; F68-I74 HydrophobicContact CB-CD1 3.61Å; F68-I74 HydrophobicContact CD1-CD1 3.06Å; F68-I74 HydrophobicContact CD1-CG1 3.72Å; F68-I74 HydrophobicContact CD2-CD1 4.35Å; F68-I74 HydrophobicContact CE1-CD1 3.73Å; F68-I74 HydrophobicContact CE1-CG1 4.1Å; F68-I74 HydrophobicContact CG-CD1 3.41Å; F68-I74 VanDerWaalsContact CG-CD1 3.41Å; F68-P147 HydrophobicContact CD1-CB 4.2Å; F68-P147 HydrophobicContact CE1-CB 3.93Å; F68-P147 HydrophobicContact CE1-CG 4.02Å; F68-A149 HydrophobicContact CE1-CB 4.11Å; F68-A149 HydrophobicContact CZ-CB 4.09Å
69N50.3Low58.3Low153 Ų15371.6 Ų71.682%0.81839%0.385SS*.THydrogen-bonded Turntrans-62.1-4.9174.6-80.3-23.2000113.8
70E52Low58.9Low84 Ų8469 Ų6939%0.39338%0.378SS..THydrogen-bonded Turntrans-124.457.6-177.6-62.4-178.5-177.400111.2F68 A72 S73 I74F68-E70 PolarHBondContact O-N 3.36Å; E70-A72 PolarHBondContact O-N 2.73Å; E70-S73 VanDerWaalsContact CB-OG 3.31Å; E70-S73 WeakPolarHBondContact CB-OG 3.17Å; E70-S73 WeakPolarHBondContact O-CA 3.22Å; E70-S73 WeakPolarHBondContact O-CB 3.45Å; E70-S73 PolarHBondContact O-N 2.98Å; E70-S73 PolarHBondContact O-OG 2.64Å; E70-I74 PolarHBondContact O-N 3.45Å
71S53.2Low59.3Low69 Ų6968.9 Ų68.948%0.48338%0.377SS..Hα-helixtrans-49.7-34.317659.10000113.3S73 I74 E75S71-S73 VanDerWaalsContact C-N 3.34Å; S71-S73 PolarHBondContact O-N 3.3Å; S71-I74 PolarHBondContact O-N 2.87Å; S71-E75 PolarHBondContact O-N 3.37Å
72A53.8Low59.3Low61 Ų6165.9 Ų65.950%0.50436%0.362SS..Hα-helixtrans-58.5-40.9172.300000113E70 I74 E76E70-A72 PolarHBondContact O-N 2.73Å; A72-I74 VanDerWaalsContact C-N 3.26Å; A72-I74 PolarHBondContact O-N 2.85Å; A72-E76 WeakPolarHBondContact O-CB 3.45Å; A72-E76 VanDerWaalsContact O-CG 3.23Å; A72-E76 WeakPolarHBondContact O-CG 3.4Å; A72-E76 PolarHBondContact O-N 3.2Å
73S65.4Low59.5Low9 Ų965.2 Ų65.26%0.06335%0.354CS..Hα-helixtrans-64.9-32.8177.974.70000112.1E70 S71 Y77E70-S73 VanDerWaalsContact CB-OG 3.31Å; E70-S73 WeakPolarHBondContact CB-OG 3.17Å; E70-S73 WeakPolarHBondContact O-CA 3.22Å; E70-S73 WeakPolarHBondContact O-CB 3.45Å; E70-S73 PolarHBondContact O-N 2.98Å; E70-S73 PolarHBondContact O-OG 2.64Å; S71-S73 VanDerWaalsContact C-N 3.34Å; S71-S73 PolarHBondContact O-N 3.3Å; S73-Y77 WeakPolarHBondContact O-CB 2.99Å; S73-Y77 PolarHBondContact O-N 2.93Å
74I61.8Low59.9Low3 Ų362.5 Ų62.52%0.01534%0.34CS..Hα-helixtrans-74.9-51.3-179.3-59.7167000110F56 L60 F68 E70 S71 A72 E76 Y77 F78 P147F56-I74 HydrophobicContact CE1-CG2 3.43Å; F56-I74 VanDerWaalsContact CE1-CG2 3.43Å; F56-I74 HydrophobicContact CZ-CG2 3.55Å; L60-I74 HydrophobicContact CD1-CD1 3.49Å; L60-I74 VanDerWaalsContact CD1-CD1 3.49Å; L60-I74 HydrophobicContact CD1-CG2 4.12Å; L60-I74 HydrophobicContact CD2-CD1 4.32Å; L60-I74 HydrophobicContact CG-CD1 4.47Å; F68-I74 HydrophobicContact CB-CD1 3.61Å; F68-I74 HydrophobicContact CD1-CD1 3.06Å; F68-I74 HydrophobicContact CD1-CG1 3.72Å; F68-I74 HydrophobicContact CD2-CD1 4.35Å; F68-I74 HydrophobicContact CE1-CD1 3.73Å; F68-I74 HydrophobicContact CE1-CG1 4.1Å; F68-I74 HydrophobicContact CG-CD1 3.41Å; F68-I74 VanDerWaalsContact CG-CD1 3.41Å; E70-I74 PolarHBondContact O-N 3.45Å; S71-I74 PolarHBondContact O-N 2.87Å; A72-I74 VanDerWaalsContact C-N 3.26Å; A72-I74 PolarHBondContact O-N 2.85Å; I74-E76 PolarHBondContact O-N 2.92Å; I74-Y77 WeakPolarHBondContact O-CA 3.49Å; I74-Y77 WeakPolarHBondContact O-CB 3.35Å; I74-Y77 PolarHBondContact O-N 3.14Å; I74-F78 HydrophobicContact CG2-CD2 3.52Å; I74-F78 HydrophobicContact CG2-CE2 3.6Å; I74-F78 VanDerWaalsContact O-CD2 3.27Å; I74-F78 WeakPolarHBondContact O-CD2 3.38Å; I74-F78 PolarHBondContact O-N 3.09Å; I74-P147 HydrophobicContact CG1-CB 3.66Å; I74-P147 HydrophobicContact CG1-CG 4.07Å
75E65Low60.3Low107 Ų10758.4 Ų58.450%0.532%0.316SS..Hα-helixtrans-57.6-40.1177.9178.3165.4-154.100110.9K53 S71 F78 N79K53-E75 IonicContact NZ-OE1 3.75Å; K53-E75 PolarHBondContact NZ-OE1 3.33Å; S71-E75 PolarHBondContact O-N 3.37Å; E75-F78 PolarHBondContact O-N 3.09Å; E75-N79 WeakPolarHBondContact CG-ND2 3.18Å; E75-N79 VanDerWaalsContact O-CB 3.27Å; E75-N79 WeakPolarHBondContact O-CB 3.46Å; E75-N79 PolarHBondContact O-N 2.89Å; E75-N79 PolarHBondContact O-ND2 3.47Å; E75-N79 VanDerWaalsContact O-ND2 3.11Å
76E67.6Low61Low117 Ų11757.6 Ų57.655%0.54731%0.309SS..Hα-helixtrans-59.8-46.9172.2-75.3177.217500112.6A72 I74 F78 N79 C80A72-E76 WeakPolarHBondContact O-CB 3.45Å; A72-E76 VanDerWaalsContact O-CG 3.23Å; A72-E76 WeakPolarHBondContact O-CG 3.4Å; A72-E76 PolarHBondContact O-N 3.2Å; I74-E76 PolarHBondContact O-N 2.92Å; E76-F78 PolarHBondContact O-N 3.15Å; E76-N79 PolarHBondContact O-N 3.42Å; E76-C80 VanDerWaalsContact O-CB 3.3Å; E76-C80 WeakPolarHBondContact O-CB 3.34Å; E76-C80 PolarHBondContact O-N 3.32Å
77Y65.8Low61.9Low12 Ų1252.9 Ų52.95%0.04728%0.279CS..Hα-helixtrans-58.7-47176.1-179.3-113.1000112.2S73 I74 C80 I81 C144 R145 K146 L159S73-Y77 WeakPolarHBondContact O-CB 2.99Å; S73-Y77 PolarHBondContact O-N 2.93Å; I74-Y77 WeakPolarHBondContact O-CA 3.49Å; I74-Y77 WeakPolarHBondContact O-CB 3.35Å; I74-Y77 PolarHBondContact O-N 3.14Å; Y77-C80 WeakPolarHBondContact O-CB 3.32Å; Y77-C80 PolarHBondContact O-N 3.31Å; Y77-I81 HydrophobicContact CD1-CD1 4.05Å; Y77-I81 HydrophobicContact CD2-CD1 4.32Å; Y77-I81 HydrophobicContact CD2-CG1 4.46Å; Y77-I81 HydrophobicContact CE1-CD1 3.38Å; Y77-I81 HydrophobicContact CE1-CG1 4.36Å; Y77-I81 HydrophobicContact CE2-CD1 3.69Å; Y77-I81 HydrophobicContact CE2-CG1 4.15Å; Y77-I81 PolarHBondContact O-N 2.96Å; Y77-I81 WeakPolarHBondContact OH-CD1 3.34Å; Y77-C144 HydrophobicContact CD2-CB 3.69Å; Y77-C144 HydrophobicContact CE2-CB 3.78Å; Y77-R145 WeakPolarHBondContact CB-O 3.34Å; Y77-R145 WeakPolarHBondContact CD2-O 3.43Å; Y77-K146 HydrophobicContact CE2-CG 3.88Å; Y77-L159 HydrophobicContact CE1-CD2 4.2Å; Y77-L159 WeakPolarHBondContact OH-CD2 3.48Å
78F66.4Low62.6Low28 Ų2854.4 Ų54.412%0.12328%0.279CS..Hα-helixtrans-66.1-42.8179.1-87.2-81.6000112.5F56 I74 E75 E76 C80 I81 T82 I162F56-F78 HydrophobicContact CB-CE1 4.3Å; F56-F78 HydrophobicContact CD1-CD1 4.2Å; F56-F78 AromaticContact CD1-CD2 3.77Å; F56-F78 HydrophobicContact CD1-CD2 3.77Å; F56-F78 AromaticContact CD1-CE1 3.97Å; F56-F78 HydrophobicContact CD1-CE1 3.97Å; F56-F78 AromaticContact CD1-CE2 3.6Å; F56-F78 HydrophobicContact CD1-CE2 3.6Å; F56-F78 HydrophobicContact CD1-CG 4.12Å; F56-F78 AromaticContact CD1-CZ 3.71Å; F56-F78 HydrophobicContact CD1-CZ 3.71Å; F56-F78 AromaticContact CD2-CE1 3.63Å; F56-F78 HydrophobicContact CD2-CE1 3.63Å; F56-F78 AromaticContact CD2-CE2 3.75Å; F56-F78 HydrophobicContact CD2-CE2 3.75Å; F56-F78 AromaticContact CD2-CZ 3.14Å; F56-F78 HydrophobicContact CD2-CZ 3.14Å; F56-F78 AromaticContact CE1-CD2 3.44Å; F56-F78 HydrophobicContact CE1-CD2 3.44Å; F56-F78 VanDerWaalsContact CE1-CD2 3.44Å; F56-F78 HydrophobicContact CE1-CE1 4.33Å; F56-F78 AromaticContact CE1-CE2 3.12Å; F56-F78 HydrophobicContact CE1-CE2 3.12Å; F56-F78 HydrophobicContact CE1-CG 4.24Å; F56-F78 AromaticContact CE1-CZ 3.63Å; F56-F78 HydrophobicContact CE1-CZ 3.63Å; F56-F78 HydrophobicContact CE2-CD2 4.37Å; F56-F78 HydrophobicContact CE2-CE1 4.01Å; F56-F78 AromaticContact CE2-CE2 3.29Å; F56-F78 HydrophobicContact CE2-CE2 3.29Å; F56-F78 AromaticContact CE2-CZ 3.05Å; F56-F78 HydrophobicContact CE2-CZ 3.05Å; F56-F78 HydrophobicContact CG-CD1 4.2Å; F56-F78 HydrophobicContact CG-CD2 4.38Å; F56-F78 AromaticContact CG-CE1 3.62Å; F56-F78 HydrophobicContact CG-CE1 3.62Å; F56-F78 AromaticContact CG-CE2 3.9Å; F56-F78 HydrophobicContact CG-CE2 3.9Å; F56-F78 AromaticContact CG-CZ 3.49Å; F56-F78 HydrophobicContact CG-CZ 3.49Å; F56-F78 VanDerWaalsContact CG-CZ 3.49Å; F56-F78 AromaticContact CZ-CD2 3.79Å; F56-F78 HydrophobicContact CZ-CD2 3.79Å; F56-F78 HydrophobicContact CZ-CE1 4.36Å; F56-F78 AromaticContact CZ-CE2 2.95Å; F56-F78 HydrophobicContact CZ-CE2 2.95Å; F56-F78 AromaticContact CZ-CZ 3.32Å; F56-F78 HydrophobicContact CZ-CZ 3.32Å; I74-F78 HydrophobicContact CG2-CD2 3.52Å; I74-F78 HydrophobicContact CG2-CE2 3.6Å; I74-F78 VanDerWaalsContact O-CD2 3.27Å; I74-F78 WeakPolarHBondContact O-CD2 3.38Å; I74-F78 PolarHBondContact O-N 3.09Å; E75-F78 PolarHBondContact O-N 3.09Å; E76-F78 PolarHBondContact O-N 3.15Å; F78-C80 PolarHBondContact O-N 2.92Å; F78-I81 PolarHBondContact O-N 3.43Å; F78-T82 WeakPolarHBondContact O-CB 3.25Å; F78-T82 PolarHBondContact O-N 2.97Å; F78-T82 PolarHBondContact O-OG1 3.25Å; F78-I162 HydrophobicContact CE1-CD1 3.56Å; F78-I162 HydrophobicContact CZ-CD1 4.06Å
79N68.2Low63.3Low76 Ų7654.4 Ų54.441%0.40628%0.28SS..Hα-helixtrans-62.6-37.4175.1-73.1-30.1000110.7E75 E76 R83E75-N79 WeakPolarHBondContact CG-ND2 3.18Å; E75-N79 VanDerWaalsContact O-CB 3.27Å; E75-N79 WeakPolarHBondContact O-CB 3.46Å; E75-N79 PolarHBondContact O-N 2.89Å; E75-N79 PolarHBondContact O-ND2 3.47Å; E75-N79 VanDerWaalsContact O-ND2 3.11Å; E76-N79 PolarHBondContact O-N 3.42Å; N79-R83 VanDerWaalsContact O-CB 3.24Å; N79-R83 WeakPolarHBondContact O-CB 3.43Å; N79-R83 PolarHBondContact O-N 3.43Å
80C68.6Low64Low33 Ų3348.2 Ų48.222%0.22325%0.246CC..Hα-helixtrans-63.1-55.3174-175.50000111.5E76 Y77 F78 T82 R83 V84 C144E76-C80 VanDerWaalsContact O-CB 3.3Å; E76-C80 WeakPolarHBondContact O-CB 3.34Å; E76-C80 PolarHBondContact O-N 3.32Å; Y77-C80 WeakPolarHBondContact O-CB 3.32Å; Y77-C80 PolarHBondContact O-N 3.31Å; F78-C80 PolarHBondContact O-N 2.92Å; C80-T82 PolarHBondContact O-N 3.4Å; C80-R83 WeakPolarHBondContact O-CA 3.42Å; C80-R83 WeakPolarHBondContact O-CB 3.2Å; C80-R83 PolarHBondContact O-N 2.98Å; C80-R83 VanDerWaalsContact O-N 3.09Å; C80-V84 WeakPolarHBondContact O-CG2 3.38Å; C80-V84 PolarHBondContact O-N 3.3Å; C80-C144 VanDerWaalsContact C-SG 3.59Å; C80-C144 HydrophobicContact CB-CB 3.78Å; C80-C144 WeakPolarHBondContact CB-SG 3.2Å; C80-C144 WeakPolarHBondContact SG-CA 3.27Å; C80-C144 WeakPolarHBondContact SG-CB 3.42Å; C80-C144 CovalentContact SG-SG 2.05Å; C80-C144 PolarHBondContact SG-SG 3.41Å
81I66.7Low64.8Low7 Ų745.5 Ų45.54%0.03623%0.234CC..Hα-helixtrans-59.4-46.4179.6-75.3-167.6000111.8Y77 F78 R83 V84 F85 T141 C144 L159Y77-I81 HydrophobicContact CD1-CD1 4.05Å; Y77-I81 HydrophobicContact CD2-CD1 4.32Å; Y77-I81 HydrophobicContact CD2-CG1 4.46Å; Y77-I81 HydrophobicContact CE1-CD1 3.38Å; Y77-I81 HydrophobicContact CE1-CG1 4.36Å; Y77-I81 HydrophobicContact CE2-CD1 3.69Å; Y77-I81 HydrophobicContact CE2-CG1 4.15Å; Y77-I81 PolarHBondContact O-N 2.96Å; Y77-I81 WeakPolarHBondContact OH-CD1 3.34Å; F78-I81 PolarHBondContact O-N 3.43Å; I81-R83 PolarHBondContact O-N 2.9Å; I81-V84 WeakPolarHBondContact O-CB 3.45Å; I81-V84 PolarHBondContact O-N 3.14Å; I81-V84 VanDerWaalsContact O-N 3.09Å; I81-F85 HydrophobicContact CG2-CD2 3.47Å; I81-F85 VanDerWaalsContact CG2-CD2 3.47Å; I81-F85 HydrophobicContact CG2-CE2 3.2Å; I81-F85 HydrophobicContact CG2-CZ 4.33Å; I81-F85 VanDerWaalsContact O-CD2 3.25Å; I81-F85 WeakPolarHBondContact O-CD2 3.39Å; I81-F85 PolarHBondContact O-N 3.34Å; I81-T141 HydrophobicContact CG1-CG2 4.42Å; I81-C144 HydrophobicContact CG1-CB 4.3Å; I81-L159 HydrophobicContact CD1-CD2 3.82Å
82T65.6Low65.5Low32 Ų3247.8 Ų47.820%0.19624%0.237CC..Hα-helixtrans-58.6-40.2177.4-60.70000110.9I49 F78 C80 K86I49-T82 HydrophobicContact CB-CG2 4.47Å; I49-T82 HydrophobicContact CD1-CG2 3.99Å; I49-T82 HydrophobicContact CG1-CG2 4.24Å; I49-T82 HydrophobicContact CG2-CG2 3.43Å; I49-T82 VanDerWaalsContact CG2-CG2 3.43Å; F78-T82 WeakPolarHBondContact O-CB 3.25Å; F78-T82 PolarHBondContact O-N 2.97Å; F78-T82 PolarHBondContact O-OG1 3.25Å; C80-T82 PolarHBondContact O-N 3.4Å; T82-K86 HydrophobicContact CG2-CD 4.47Å; T82-K86 WeakPolarHBondContact O-CB 3Å; T82-K86 VanDerWaalsContact O-CG 3.31Å; T82-K86 WeakPolarHBondContact O-CG 3.34Å; T82-K86 PolarHBondContact O-N 3.04Å
83R68Low66.1Low122 Ų12245.5 Ų45.546%0.4622%0.217SC..Hα-helixtrans-64.3-44.6175.2-178.2-171.5-172.2144.112.6111.4N79 C80 I81 K86 L87 E135 K139N79-R83 VanDerWaalsContact O-CB 3.24Å; N79-R83 WeakPolarHBondContact O-CB 3.43Å; N79-R83 PolarHBondContact O-N 3.43Å; C80-R83 WeakPolarHBondContact O-CA 3.42Å; C80-R83 WeakPolarHBondContact O-CB 3.2Å; C80-R83 PolarHBondContact O-N 2.98Å; C80-R83 VanDerWaalsContact O-N 3.09Å; I81-R83 PolarHBondContact O-N 2.9Å; R83-K86 PolarHBondContact O-N 3.11Å; R83-L87 HydrophobicContact CG-CD1 4.22Å; R83-L87 WeakPolarHBondContact O-CG 3.44Å; R83-L87 PolarHBondContact O-N 2.75Å; R83-E135 IonicContact CZ-OE1 3.17Å; R83-E135 IonicContact NE-OE1 3.13Å; R83-E135 PolarHBondContact NE-OE1 3.44Å; R83-E135 IonicContact NH2-OE1 2.62Å; R83-E135 PolarHBondContact NH2-OE1 2.94Å; R83-K139 VanDerWaalsContact CZ-NZ 3.26Å
84V64.5Low66.2Low2 Ų245.1 Ų45.11%0.01221%0.214CC..Hα-helixtrans-59-47.8176.9175.20000110.9C80 I81 K86 L87 Q88 L136 K139 T141C80-V84 WeakPolarHBondContact O-CG2 3.38Å; C80-V84 PolarHBondContact O-N 3.3Å; I81-V84 WeakPolarHBondContact O-CB 3.45Å; I81-V84 PolarHBondContact O-N 3.14Å; I81-V84 VanDerWaalsContact O-N 3.09Å; V84-K86 PolarHBondContact O-N 2.86Å; V84-L87 WeakPolarHBondContact O-CB 3.44Å; V84-L87 PolarHBondContact O-N 2.7Å; V84-L87 VanDerWaalsContact O-N 3.1Å; V84-Q88 PolarHBondContact O-N 3.5Å; V84-L136 HydrophobicContact CB-CD2 4.5Å; V84-L136 HydrophobicContact CG1-CD2 3.76Å; V84-L136 WeakPolarHBondContact O-CD2 3.23Å; V84-K139 WeakPolarHBondContact CG2-O 3.32Å; V84-T141 HydrophobicContact CB-CG2 4.26Å; V84-T141 HydrophobicContact CG1-CG2 3.84Å
85F64Low66.6Low44 Ų4448 Ų4819%0.19323%0.232CC..Hα-helixtrans-63-42.1177.7-74.9-56.3000112.7I81 L87 Q88 I89 I162 M166I81-F85 HydrophobicContact CG2-CD2 3.47Å; I81-F85 VanDerWaalsContact CG2-CD2 3.47Å; I81-F85 HydrophobicContact CG2-CE2 3.2Å; I81-F85 HydrophobicContact CG2-CZ 4.33Å; I81-F85 VanDerWaalsContact O-CD2 3.25Å; I81-F85 WeakPolarHBondContact O-CD2 3.39Å; I81-F85 PolarHBondContact O-N 3.34Å; F85-L87 PolarHBondContact O-N 3.35Å; F85-Q88 PolarHBondContact O-N 2.73Å; F85-I89 WeakPolarHBondContact O-CD1 3.43Å; F85-I89 WeakPolarHBondContact O-CG1 3.33Å; F85-I89 PolarHBondContact O-N 3.17Å; F85-I162 HydrophobicContact CE2-CG2 4.36Å; F85-M166 HydrophobicContact CB-SD 4.38Å; F85-M166 HydrophobicContact CD1-CE 3.78Å; F85-M166 HydrophobicContact CD1-SD 3.76Å; F85-M166 HydrophobicContact CD2-CE 3.94Å; F85-M166 HydrophobicContact CD2-SD 3.55Å; F85-M166 VanDerWaalsContact CD2-SD 3.55Å; F85-M166 HydrophobicContact CE1-CE 3.29Å; F85-M166 HydrophobicContact CE1-SD 3.92Å; F85-M166 HydrophobicContact CE2-CE 3.4Å; F85-M166 HydrophobicContact CE2-SD 3.65Å; F85-M166 HydrophobicContact CG-CE 4.13Å; F85-M166 HydrophobicContact CG-SD 3.63Å; F85-M166 HydrophobicContact CZ-CE 3.11Å; F85-M166 HydrophobicContact CZ-SD 3.9Å
86K64.8Low66.9Low76 Ų7646.1 Ų46.133%0.3322%0.223SC..Hα-helixtrans-56.7-41.2173.3-77.9-179.2179.6-169.40111.6I49 T82 R83 V84 I90I49-K86 HydrophobicContact CD1-CD 4.23Å; I49-K86 HydrophobicContact CD1-CG 3.82Å; T82-K86 HydrophobicContact CG2-CD 4.47Å; T82-K86 WeakPolarHBondContact O-CB 3Å; T82-K86 VanDerWaalsContact O-CG 3.31Å; T82-K86 WeakPolarHBondContact O-CG 3.34Å; T82-K86 PolarHBondContact O-N 3.04Å; R83-K86 PolarHBondContact O-N 3.11Å; V84-K86 PolarHBondContact O-N 2.86Å; K86-I90 WeakPolarHBondContact O-CD1 3.22Å; K86-I90 WeakPolarHBondContact O-CG1 3.5Å; K86-I90 PolarHBondContact O-N 2.9Å; K86-I90 VanDerWaalsContact O-N 3.09Å
87L68.2Low67Low13 Ų1340.6 Ų40.67%0.06820%0.197CC..Hα-helixtrans-66.3-47.5177.8-73.1169.1000111.4R83 V84 F85 I89 I90 D91 V132 E135 L136R83-L87 HydrophobicContact CG-CD1 4.22Å; R83-L87 WeakPolarHBondContact O-CG 3.44Å; R83-L87 PolarHBondContact O-N 2.75Å; V84-L87 WeakPolarHBondContact O-CB 3.44Å; V84-L87 PolarHBondContact O-N 2.7Å; V84-L87 VanDerWaalsContact O-N 3.1Å; F85-L87 PolarHBondContact O-N 3.35Å; L87-I89 VanDerWaalsContact C-N 3.3Å; L87-I89 PolarHBondContact O-N 3.05Å; L87-I90 PolarHBondContact O-N 3.42Å; L87-I90 VanDerWaalsContact O-N 3.09Å; L87-D91 PolarHBondContact O-N 3.29Å; L87-V132 HydrophobicContact CB-CG1 3.91Å; L87-V132 HydrophobicContact CD2-CB 4.4Å; L87-V132 HydrophobicContact CD2-CG1 3.99Å; L87-V132 HydrophobicContact CD2-CG2 4.09Å; L87-V132 WeakPolarHBondContact O-CG1 3.45Å; L87-E135 HydrophobicContact CD1-CB 3.98Å; L87-E135 HydrophobicContact CD1-CG 3.57Å; L87-E135 HydrophobicContact CD2-CB 4.38Å; L87-E135 HydrophobicContact CD2-CG 4.39Å; L87-L136 HydrophobicContact CB-CD1 4.34Å; L87-L136 HydrophobicContact CB-CD2 3.47Å; L87-L136 VanDerWaalsContact CB-CD2 3.47Å; L87-L136 HydrophobicContact CB-CG 3.76Å; L87-L136 HydrophobicContact CD1-CD2 4.25Å; L87-L136 HydrophobicContact CD1-CG 4.49Å
88Q65.1Low67.2Low75 Ų7540.5 Ų40.535%0.3520%0.198SC..Hα-helixtrans-55.1-46176.9-71.6175.6-32.700112V84 F85 I90 D91 E92 L136V84-Q88 PolarHBondContact O-N 3.5Å; F85-Q88 PolarHBondContact O-N 2.73Å; Q88-I90 PolarHBondContact O-N 3.2Å; Q88-D91 WeakPolarHBondContact O-CB 3.36Å; Q88-D91 PolarHBondContact O-N 3.29Å; Q88-D91 VanDerWaalsContact O-N 3.14Å; Q88-E92 WeakPolarHBondContact O-CG 3.38Å; Q88-E92 PolarHBondContact O-N 2.9Å; Q88-L136 HydrophobicContact CG-CD1 3.91Å; Q88-L136 HydrophobicContact CG-CD2 3.68Å; Q88-L136 HydrophobicContact CG-CG 4.48Å
89I64.2Low67.6Low20 Ų2044.2 Ų44.210%0.10322%0.216CC..Hα-helixtrans-62.5-42.4177.6-66.2161000111.4L42 Y45 F85 L87 D91 E92 I93L42-I89 HydrophobicContact CD2-CG2 4.21Å; Y45-I89 HydrophobicContact CD1-CD1 3.67Å; Y45-I89 HydrophobicContact CD2-CD1 3.8Å; Y45-I89 HydrophobicContact CD2-CG2 4.34Å; Y45-I89 HydrophobicContact CE1-CD1 3.59Å; Y45-I89 HydrophobicContact CE2-CD1 3.75Å; Y45-I89 HydrophobicContact CE2-CG1 4.2Å; Y45-I89 HydrophobicContact CE2-CG2 4.32Å; Y45-I89 HydrophobicContact CG-CD1 3.8Å; F85-I89 WeakPolarHBondContact O-CD1 3.43Å; F85-I89 WeakPolarHBondContact O-CG1 3.33Å; F85-I89 PolarHBondContact O-N 3.17Å; L87-I89 VanDerWaalsContact C-N 3.3Å; L87-I89 PolarHBondContact O-N 3.05Å; I89-D91 VanDerWaalsContact C-N 3.26Å; I89-D91 PolarHBondContact O-N 3.45Å; I89-E92 PolarHBondContact O-N 3.44Å; I89-I93 HydrophobicContact CG2-CD1 3.7Å; I89-I93 HydrophobicContact CG2-CG1 4.36Å; I89-I93 WeakPolarHBondContact O-CB 3.32Å; I89-I93 WeakPolarHBondContact O-CG1 3.26Å; I89-I93 PolarHBondContact O-N 3.39Å
90I66Low67.7Low22 Ų2241.3 Ų41.311%0.11320%0.2CC..Hα-helixtrans-61.9-39.9177.1-68.6164.7000110.3K86 L87 Q88 I93 N94 V132K86-I90 WeakPolarHBondContact O-CD1 3.22Å; K86-I90 WeakPolarHBondContact O-CG1 3.5Å; K86-I90 PolarHBondContact O-N 2.9Å; K86-I90 VanDerWaalsContact O-N 3.09Å; L87-I90 PolarHBondContact O-N 3.42Å; L87-I90 VanDerWaalsContact O-N 3.09Å; Q88-I90 PolarHBondContact O-N 3.2Å; I90-I93 PolarHBondContact O-N 3.18Å; I90-N94 WeakPolarHBondContact O-CB 3.24Å; I90-N94 PolarHBondContact O-N 2.93Å; I90-N94 PolarHBondContact O-ND2 3.36Å; I90-V132 HydrophobicContact CB-CG2 4.36Å; I90-V132 HydrophobicContact CG2-CG2 3.76Å
91D68.4Low67.7Low27 Ų2739.9 Ų39.914%0.14419%0.19CC..Hα-helixtrans-63.5-46.9177.7-165.551.1000112.2L87 Q88 I89 I93 N94 T95 A129 V132 N133L87-D91 PolarHBondContact O-N 3.29Å; Q88-D91 WeakPolarHBondContact O-CB 3.36Å; Q88-D91 PolarHBondContact O-N 3.29Å; Q88-D91 VanDerWaalsContact O-N 3.14Å; I89-D91 VanDerWaalsContact C-N 3.26Å; I89-D91 PolarHBondContact O-N 3.45Å; D91-I93 VanDerWaalsContact C-N 3.34Å; D91-I93 PolarHBondContact O-N 2.9Å; D91-N94 PolarHBondContact O-N 3Å; D91-T95 WeakPolarHBondContact O-CB 3.38Å; D91-T95 PolarHBondContact O-N 3.32Å; D91-T95 PolarHBondContact O-OG1 3.14Å; D91-A129 WeakPolarHBondContact OD1-CA 3.39Å; D91-A129 VanDerWaalsContact OD1-CB 3.25Å; D91-A129 WeakPolarHBondContact OD1-CB 3.42Å; D91-V132 HydrophobicContact CB-CG1 3.82Å; D91-N133 PolarHBondContact OD1-ND2 3.05Å; D91-N133 PolarHBondContact OD2-ND2 3.38Å; D91-N133 PolarHBondContact OD2-OD1 3.24Å
92E68.1Low68.1Low118 Ų11844 Ų4455%0.55121%0.208SC*.Hα-helixtrans-57.3-47.7175.3-72.6176-174.700111.2Q88 I89 N94 T95 E96Q88-E92 WeakPolarHBondContact O-CG 3.38Å; Q88-E92 PolarHBondContact O-N 2.9Å; I89-E92 PolarHBondContact O-N 3.44Å; E92-N94 PolarHBondContact O-N 3.2Å; E92-T95 WeakPolarHBondContact O-CB 3.5Å; E92-T95 PolarHBondContact O-N 2.85Å; E92-E96 WeakPolarHBondContact O-CG 3.32Å; E92-E96 PolarHBondContact O-N 3.48Å
93I66.5Low68.4Low13 Ų1347.4 Ų47.47%0.06723%0.225CC..Hα-helixtrans-63.9-43.5179.7-69.9173000111.5I38 L42 I89 I90 D91 T95 E96 C97I38-I93 HydrophobicContact CG2-CB 4.35Å; I38-I93 HydrophobicContact CG2-CD1 3.76Å; I38-I93 HydrophobicContact CG2-CG1 3.73Å; I38-I93 HydrophobicContact CG2-CG2 3.77Å; L42-I93 HydrophobicContact CD1-CD1 3.59Å; L42-I93 HydrophobicContact CD2-CD1 3.66Å; L42-I93 HydrophobicContact CG-CD1 3.46Å; L42-I93 VanDerWaalsContact CG-CD1 3.46Å; I89-I93 HydrophobicContact CG2-CD1 3.7Å; I89-I93 HydrophobicContact CG2-CG1 4.36Å; I89-I93 WeakPolarHBondContact O-CB 3.32Å; I89-I93 WeakPolarHBondContact O-CG1 3.26Å; I89-I93 PolarHBondContact O-N 3.39Å; I90-I93 PolarHBondContact O-N 3.18Å; D91-I93 VanDerWaalsContact C-N 3.34Å; D91-I93 PolarHBondContact O-N 2.9Å; I93-T95 VanDerWaalsContact C-N 3.29Å; I93-T95 PolarHBondContact O-N 3.39Å; I93-E96 PolarHBondContact O-N 3.26Å; I93-C97 WeakPolarHBondContact O-CB 2.98Å; I93-C97 PolarHBondContact O-N 3.47Å; I93-C97 PolarHBondContact O-SG 3.05Å
94N65.7Low68.4Low1 Ų141.7 Ų41.71%0.00520%0.203CC..Hα-helixtrans-62.7-41.5177.9-76.5-22000110.8I90 D91 E92 C97 V98 F125 D128 A129I90-N94 WeakPolarHBondContact O-CB 3.24Å; I90-N94 PolarHBondContact O-N 2.93Å; I90-N94 PolarHBondContact O-ND2 3.36Å; D91-N94 PolarHBondContact O-N 3Å; E92-N94 PolarHBondContact O-N 3.2Å; N94-C97 PolarHBondContact O-N 3.11Å; N94-V98 WeakPolarHBondContact O-CG2 3.48Å; N94-V98 PolarHBondContact O-N 3.37Å; N94-F125 WeakPolarHBondContact OD1-CD1 3.39Å; N94-D128 WeakPolarHBondContact ND2-CB 3.04Å; N94-A129 HydrophobicContact CB-CB 4Å; N94-A129 PolarHBondContact ND2-N 3.41Å
95T72Confident68.5Low63 Ų6343 Ų4339%0.38721%0.209SC..Hα-helixtrans-60.8-51175.4-62.20000111.1D91 E92 I93 C97 V98 E99D91-T95 WeakPolarHBondContact O-CB 3.38Å; D91-T95 PolarHBondContact O-N 3.32Å; D91-T95 PolarHBondContact O-OG1 3.14Å; E92-T95 WeakPolarHBondContact O-CB 3.5Å; E92-T95 PolarHBondContact O-N 2.85Å; I93-T95 VanDerWaalsContact C-N 3.29Å; I93-T95 PolarHBondContact O-N 3.39Å; T95-C97 VanDerWaalsContact C-N 3.32Å; T95-C97 PolarHBondContact O-N 2.96Å; T95-V98 PolarHBondContact O-N 2.87Å; T95-V98 VanDerWaalsContact O-N 3.14Å; T95-E99 PolarHBondContact O-N 3.23Å
96E71.2Confident69Low68 Ų6846.7 Ų46.732%0.31823%0.231SC..Hα-helixtrans-58.5-44176.1-74-167.7172.900111.4I38 E92 I93 V98 E99 I100I38-E96 HydrophobicContact CD1-CB 4.31Å; I38-E96 WeakPolarHBondContact CD1-OE2 3.34Å; I38-E96 WeakPolarHBondContact CG1-OE2 3.47Å; E92-E96 WeakPolarHBondContact O-CG 3.32Å; E92-E96 PolarHBondContact O-N 3.48Å; I93-E96 PolarHBondContact O-N 3.26Å; E96-V98 VanDerWaalsContact C-N 3.31Å; E96-V98 PolarHBondContact O-N 3.37Å; E96-E99 PolarHBondContact O-N 3.46Å; E96-I100 VanDerWaalsContact O-CB 3.27Å; E96-I100 WeakPolarHBondContact O-CB 3.4Å; E96-I100 WeakPolarHBondContact O-CG1 3.34Å; E96-I100 PolarHBondContact O-N 2.99Å
97C68.4Low69.2Low0 Ų048.9 Ų48.90%024%0.24CC..Hα-helixtrans-60.2-39.1177.8-72.40000112.4L11 I93 N94 T95 I100 M101 F125L11-C97 HydrophobicContact CD2-CB 4.27Å; I93-C97 WeakPolarHBondContact O-CB 2.98Å; I93-C97 PolarHBondContact O-N 3.47Å; I93-C97 PolarHBondContact O-SG 3.05Å; N94-C97 PolarHBondContact O-N 3.11Å; T95-C97 VanDerWaalsContact C-N 3.32Å; T95-C97 PolarHBondContact O-N 2.96Å; C97-I100 WeakPolarHBondContact O-CB 3.33Å; C97-M101 WeakPolarHBondContact O-CB 3.27Å; C97-M101 VanDerWaalsContact O-CG 3.3Å; C97-M101 WeakPolarHBondContact O-CG 3.12Å; C97-M101 PolarHBondContact O-N 3.19Å; C97-F125 HydrophobicContact CB-CD1 3.93Å; C97-F125 HydrophobicContact CB-CD2 4.24Å; C97-F125 HydrophobicContact CB-CE1 3.68Å; C97-F125 HydrophobicContact CB-CE2 4.04Å; C97-F125 HydrophobicContact CB-CG 4.2Å; C97-F125 HydrophobicContact CB-CZ 3.78Å
98V70.2Confident69Low11 Ų1149.9 Ų49.97%0.06724%0.243CC..Hα-helixtrans-66.5-43.1176170.20000111.2N94 T95 E96 M101 K102 F125 K126N94-V98 WeakPolarHBondContact O-CG2 3.48Å; N94-V98 PolarHBondContact O-N 3.37Å; T95-V98 PolarHBondContact O-N 2.87Å; T95-V98 VanDerWaalsContact O-N 3.14Å; E96-V98 VanDerWaalsContact C-N 3.31Å; E96-V98 PolarHBondContact O-N 3.37Å; V98-M101 PolarHBondContact O-N 3.38Å; V98-K102 HydrophobicContact CG1-CD 4.49Å; V98-K102 WeakPolarHBondContact O-CG 3.28Å; V98-K102 PolarHBondContact O-N 2.92Å; V98-F125 HydrophobicContact CG2-CB 3.47Å; V98-F125 VanDerWaalsContact CG2-CB 3.47Å; V98-F125 HydrophobicContact CG2-CG 4.36Å; V98-K126 HydrophobicContact CG2-CG 4.2Å
99E75.8Confident68.8Low106 Ų10649.1 Ų49.150%0.49525%0.25SS..Hα-helixtrans-63.6-45.6177.4-69.4-170.8162.600112T95 E96 M101 K102 N103T95-E99 PolarHBondContact O-N 3.23Å; E96-E99 PolarHBondContact O-N 3.46Å; E99-M101 VanDerWaalsContact C-N 3.3Å; E99-M101 PolarHBondContact O-N 3.27Å; E99-K102 WeakPolarHBondContact O-CB 3.33Å; E99-K102 PolarHBondContact O-N 3.39Å; E99-K102 VanDerWaalsContact O-N 3.11Å; E99-N103 PolarHBondContact O-N 2.78Å; E99-N103 PolarHBondContact O-ND2 3.44Å
100I70.2Confident68.7Low15 Ų1557.6 Ų57.68%0.07729%0.286CS..Hα-helixtrans-49.6-53.1170.9-77.9173.2000110.5L31 I35 I38 E96 C97 K102 N103 V104L31-I100 HydrophobicContact CD1-CG2 3.94Å; L31-I100 HydrophobicContact CD2-CB 3.78Å; L31-I100 HydrophobicContact CD2-CD1 3.6Å; L31-I100 HydrophobicContact CD2-CG1 3.55Å; L31-I100 HydrophobicContact CD2-CG2 3.09Å; L31-I100 HydrophobicContact CG-CG1 4.26Å; L31-I100 HydrophobicContact CG-CG2 4.08Å; I35-I100 HydrophobicContact CG1-CD1 4.28Å; I38-I100 HydrophobicContact CD1-CD1 4.41Å; E96-I100 VanDerWaalsContact O-CB 3.27Å; E96-I100 WeakPolarHBondContact O-CB 3.4Å; E96-I100 WeakPolarHBondContact O-CG1 3.34Å; E96-I100 PolarHBondContact O-N 2.99Å; C97-I100 WeakPolarHBondContact O-CB 3.33Å; I100-K102 VanDerWaalsContact C-N 3.31Å; I100-K102 PolarHBondContact O-N 3.11Å; I100-N103 PolarHBondContact O-N 2.84Å; I100-V104 HydrophobicContact CG2-CG2 4.44Å; I100-V104 WeakPolarHBondContact O-CG2 3.14Å; I100-V104 PolarHBondContact O-N 3.45Å
101M68.6Low68.3Low2 Ų262.8 Ų62.81%0.0131%0.31CS..Hα-helixtrans-66.5-30.8-178.5-78.2-64.3-64.300112.8L11 L14 C97 V98 E99 E105 S118 I121 K122L11-M101 HydrophobicContact CD1-CG 3.79Å; L11-M101 HydrophobicContact CD1-SD 3.57Å; L11-M101 VanDerWaalsContact CD1-SD 3.57Å; L14-M101 HydrophobicContact CD2-CE 3.36Å; L14-M101 HydrophobicContact CD2-SD 3.71Å; C97-M101 WeakPolarHBondContact O-CB 3.27Å; C97-M101 VanDerWaalsContact O-CG 3.3Å; C97-M101 WeakPolarHBondContact O-CG 3.12Å; C97-M101 PolarHBondContact O-N 3.19Å; V98-M101 PolarHBondContact O-N 3.38Å; E99-M101 VanDerWaalsContact C-N 3.3Å; E99-M101 PolarHBondContact O-N 3.27Å; M101-E105 WeakPolarHBondContact O-CB 3.44Å; M101-E105 WeakPolarHBondContact O-CG 3.41Å; M101-E105 PolarHBondContact O-N 2.86Å; M101-E105 VanDerWaalsContact O-N 3.1Å; M101-S118 WeakPolarHBondContact CE-OG 3.45Å; M101-I121 HydrophobicContact CE-CG2 4.43Å; M101-K122 VanDerWaalsContact C-CE 3.42Å; M101-K122 HydrophobicContact CB-CD 4.42Å; M101-K122 HydrophobicContact CB-CG 4Å; M101-K122 WeakPolarHBondContact O-CE 3.41Å; M101-K122 PolarHBondContact O-NZ 3.34Å
102K74.2Confident67.6Low95 Ų9571.8 Ų71.841%0.41334%0.343SS..Hα-helixtrans-65-50.4170-72.1172-177.7171.90110.8V98 E99 I100 V104 E105 D106V98-K102 HydrophobicContact CG1-CD 4.49Å; V98-K102 WeakPolarHBondContact O-CG 3.28Å; V98-K102 PolarHBondContact O-N 2.92Å; E99-K102 WeakPolarHBondContact O-CB 3.33Å; E99-K102 PolarHBondContact O-N 3.39Å; E99-K102 VanDerWaalsContact O-N 3.11Å; I100-K102 VanDerWaalsContact C-N 3.31Å; I100-K102 PolarHBondContact O-N 3.11Å; K102-V104 VanDerWaalsContact C-N 3.29Å; K102-V104 PolarHBondContact O-N 2.8Å; K102-E105 PolarHBondContact O-N 3.2Å; K102-E105 VanDerWaalsContact O-N 3.12Å; K102-D106 WeakPolarHBondContact O-CB 3.29Å; K102-D106 VanDerWaalsContact O-CG 3.29Å; K102-D106 PolarHBondContact O-N 3.32Å
103N72.2Confident66.8Low103 Ų10366.9 Ų66.955%0.55132%0.32SS*.Hα-helixtrans-60-39.2179.6-69.1-22.8000112.4E99 I100 K107E99-N103 PolarHBondContact O-N 2.78Å; E99-N103 PolarHBondContact O-ND2 3.44Å; I100-N103 PolarHBondContact O-N 2.84Å; N103-K107 VanDerWaalsContact O-CB 3.27Å; N103-K107 WeakPolarHBondContact O-CB 3.48Å; N103-K107 PolarHBondContact O-N 3.01Å
104V68.2Low66.2Low2 Ų275.6 Ų75.61%0.01236%0.358CS..Hα-helixtrans-62.1-53.1173.9-174.20000110.1L15 L18 F29 L31 I100 K102 D106 K107 Y108 M113L15-V104 HydrophobicContact CD2-CG2 4.18Å; L18-V104 HydrophobicContact CD1-CG1 4.46Å; F29-V104 HydrophobicContact CE1-CB 4.4Å; F29-V104 HydrophobicContact CE1-CG1 4.4Å; F29-V104 HydrophobicContact CE1-CG2 3.56Å; F29-V104 HydrophobicContact CZ-CG1 4.48Å; F29-V104 HydrophobicContact CZ-CG2 4.1Å; L31-V104 HydrophobicContact CD1-CG2 3.74Å; I100-V104 HydrophobicContact CG2-CG2 4.44Å; I100-V104 WeakPolarHBondContact O-CG2 3.14Å; I100-V104 PolarHBondContact O-N 3.45Å; K102-V104 VanDerWaalsContact C-N 3.29Å; K102-V104 PolarHBondContact O-N 2.8Å; V104-D106 VanDerWaalsContact C-N 3.34Å; V104-D106 PolarHBondContact O-N 3.16Å; V104-K107 PolarHBondContact O-N 3.44Å; V104-Y108 HydrophobicContact CG1-CD2 3.75Å; V104-Y108 HydrophobicContact CG1-CE2 4.16Å; V104-Y108 WeakPolarHBondContact O-CD2 3.27Å; V104-Y108 PolarHBondContact O-N 3.05Å; V104-M113 HydrophobicContact CG1-CE 3.53Å; V104-M113 HydrophobicContact CG1-SD 3.68Å
105E67.5Low65.9Low29 Ų2977.9 Ų77.914%0.13637%0.374CS..Hα-helixtrans-59.7-43.2179.9-82-179.3-160.500112.2M101 K102 K107 Y108 A109 M113 S118 K122M101-E105 WeakPolarHBondContact O-CB 3.44Å; M101-E105 WeakPolarHBondContact O-CG 3.41Å; M101-E105 PolarHBondContact O-N 2.86Å; M101-E105 VanDerWaalsContact O-N 3.1Å; K102-E105 PolarHBondContact O-N 3.2Å; K102-E105 VanDerWaalsContact O-N 3.12Å; E105-K107 VanDerWaalsContact C-N 3.34Å; E105-K107 PolarHBondContact O-N 3.36Å; E105-Y108 CarbonylContact O-C 3.58Å; E105-Y108 PolarHBondContact O-N 3.47Å; E105-A109 WeakPolarHBondContact O-CA 3.47Å; E105-A109 WeakPolarHBondContact O-CB 3.31Å; E105-A109 PolarHBondContact O-N 3.1Å; E105-M113 HydrophobicContact CG-SD 4.4Å; E105-S118 WeakPolarHBondContact OE1-CB 3.28Å; E105-S118 PolarHBondContact OE1-OG 2.89Å; E105-K122 VanDerWaalsContact CD-CE 3.47Å; E105-K122 WeakPolarHBondContact OE1-CE 3.41Å; E105-K122 IonicContact OE1-NZ 3.14Å; E105-K122 PolarHBondContact OE1-NZ 3.38Å; E105-K122 VanDerWaalsContact OE1-NZ 3.13Å; E105-K122 IonicContact OE2-NZ 3.23Å; E105-K122 PolarHBondContact OE2-NZ 3.13Å
106D73.9Confident65.5Low121 Ų12179.8 Ų79.865%0.64739%0.39SS*.Hα-helixtrans-65.6-40.4-179-68.6-22.8000111.1K102 V104K102-D106 WeakPolarHBondContact O-CB 3.29Å; K102-D106 VanDerWaalsContact O-CG 3.29Å; K102-D106 PolarHBondContact O-N 3.32Å; V104-D106 VanDerWaalsContact C-N 3.34Å; V104-D106 PolarHBondContact O-N 3.16Å
107K68.4Low65.2Low123 Ų12382.9 Ų82.954%0.53540%0.402SS..Hα-helixtrans-68-35.7176.8-168.8172.1-179.9178.80112.5F29 N103 V104 E105F29-K107 HydrophobicContact CE2-CD 3.98Å; F29-K107 HydrophobicContact CZ-CD 4.39Å; N103-K107 VanDerWaalsContact O-CB 3.27Å; N103-K107 WeakPolarHBondContact O-CB 3.48Å; N103-K107 PolarHBondContact O-N 3.01Å; V104-K107 PolarHBondContact O-N 3.44Å; E105-K107 VanDerWaalsContact C-N 3.34Å; E105-K107 PolarHBondContact O-N 3.36Å
108Y64Low65.1Low34 Ų3483.1 Ų83.113%0.13340%0.404CS..Hα-helixtrans-107.611.5-176.7-61.9-70.9000114.1I24 F29 V104 E105 K110 H111 M113I24-Y108 HydrophobicContact CD1-CD1 3.91Å; I24-Y108 HydrophobicContact CD1-CD2 4Å; I24-Y108 HydrophobicContact CD1-CE1 3.68Å; I24-Y108 HydrophobicContact CD1-CE2 3.77Å; I24-Y108 HydrophobicContact CD1-CG 4.1Å; I24-Y108 HydrophobicContact CG1-CD1 4.22Å; I24-Y108 HydrophobicContact CG1-CE1 3.55Å; I24-Y108 HydrophobicContact CG1-CE2 4.25Å; I24-Y108 HydrophobicContact CG2-CE2 4.26Å; I24-Y108 VanDerWaalsContact CG2-OH 3.25Å; I24-Y108 WeakPolarHBondContact CG2-OH 3.45Å; F29-Y108 AromaticContact CE2-CE2 3.83Å; F29-Y108 HydrophobicContact CE2-CE2 3.83Å; F29-Y108 WeakPolarHBondContact CE2-OH 3.06Å; F29-Y108 AromaticContact CZ-CE2 3.69Å; F29-Y108 HydrophobicContact CZ-CE2 3.69Å; V104-Y108 HydrophobicContact CG1-CD2 3.75Å; V104-Y108 HydrophobicContact CG1-CE2 4.16Å; V104-Y108 WeakPolarHBondContact O-CD2 3.27Å; V104-Y108 PolarHBondContact O-N 3.05Å; E105-Y108 CarbonylContact O-C 3.58Å; E105-Y108 PolarHBondContact O-N 3.47Å; Y108-K110 PolarHBondContact O-N 3.09Å; Y108-K110 VanDerWaalsContact O-N 3.11Å; Y108-H111 WeakPolarHBondContact O-CA 3.18Å; Y108-H111 PolarHBondContact O-N 3.44Å; Y108-M113 HydrophobicContact CD2-CE 4.2Å; Y108-M113 HydrophobicContact CD2-SD 4.31Å; Y108-M113 HydrophobicContact CG-CE 4.45Å; Y108-M113 HydrophobicContact CG-SD 4.42Å
109A62.1Low65.1Low59 Ų5985.7 Ų85.749%0.48842%0.422SS..G310 helixtrans-57.3-32.4-17900000111.7E105 H111E105-A109 WeakPolarHBondContact O-CA 3.47Å; E105-A109 WeakPolarHBondContact O-CB 3.31Å; E105-A109 PolarHBondContact O-N 3.1Å; A109-H111 PolarHBondContact O-N 3.19Å
110K60.2Low64.7Low198 Ų19888.3 Ų88.386%0.86143%0.432SS*.G310 helixtrans-66.8-20.4174.7-65.5-175.7179.8179.20113.7Y108Y108-K110 PolarHBondContact O-N 3.09Å; Y108-K110 VanDerWaalsContact O-N 3.11Å
111H57.7Low64.5Low131 Ų13189.2 Ų89.261%0.60644%0.436SS*.G310 helixtrans-102.625.3-175-73.1-71.8000114Y108 A109Y108-H111 WeakPolarHBondContact O-CA 3.18Å; Y108-H111 PolarHBondContact O-N 3.44Å; A109-H111 PolarHBondContact O-N 3.19Å
112Y53.8Low64.4Low216 Ų21690.4 Ų90.485%0.84744%0.442SS*.THydrogen-bonded Turntrans71.926.6179-72.1-95.7000116K114Y112-K114 VanDerWaalsContact C-N 3.31Å; Y112-K114 PolarHBondContact O-N 3Å
113M52.4Low64.4Low15 Ų1593.7 Ų93.77%0.07445%0.451CS..  trans-79.5-2.5-175.7-138.8-165.9-144.600116.2L18 I24 V104 E105 Y108 S115L18-M113 HydrophobicContact CB-CE 4.29Å; L18-M113 HydrophobicContact CD1-CE 3.21Å; L18-M113 HydrophobicContact CD2-CE 3.19Å; L18-M113 HydrophobicContact CG-CE 3.66Å; I24-M113 HydrophobicContact CD1-CE 4.47Å; V104-M113 HydrophobicContact CG1-CE 3.53Å; V104-M113 HydrophobicContact CG1-SD 3.68Å; E105-M113 HydrophobicContact CG-SD 4.4Å; Y108-M113 HydrophobicContact CD2-CE 4.2Å; Y108-M113 HydrophobicContact CD2-SD 4.31Å; Y108-M113 HydrophobicContact CG-CE 4.45Å; Y108-M113 HydrophobicContact CG-SD 4.42Å; M113-S115 PolarHBondContact O-N 3.38Å
114K53.9Low64.3Low195 Ų19591.3 Ų91.385%0.84844%0.443SS*.  trans-69.955.4164.9-82.1-173.2178178.20110.6Y112Y112-K114 VanDerWaalsContact C-N 3.31Å; Y112-K114 PolarHBondContact O-N 3Å
115S58.7Low64.3Low50 Ų5091.4 Ų91.435%0.3544%0.443SS..  trans-83.6144.2172.474.70000109.3M113 K117 S118M113-S115 PolarHBondContact O-N 3.38Å; S115-K117 PolarHBondContact O-N 3.49Å; S115-S118 PolarHBondContact O-N 3.43Å; S115-S118 VanDerWaalsContact O-N 3.07Å
116S64.9Low64.6Low103 Ų10395 Ų9572%0.7246%0.458SS*.Hα-helixtrans-52.8-29.3175.556.70000113.2K120S116-K120 WeakPolarHBondContact O-CB 3.14Å; S116-K120 PolarHBondContact O-N 3.14Å
117K64.8Low64.7Low133 Ų13392.7 Ų92.758%0.57845%0.445SS*.Hα-helixtrans-63.7-44.5177.4-70.7-176.7-179.9177.30112.4S115 K120 I121S115-K117 PolarHBondContact O-N 3.49Å; K117-K120 WeakPolarHBondContact O-CB 3.4Å; K117-K120 PolarHBondContact O-N 3.41Å; K117-I121 WeakPolarHBondContact O-CG1 3.39Å; K117-I121 PolarHBondContact O-N 2.95Å
118S65.5Low64.8Low5 Ų587.8 Ų87.84%0.03543%0.425CS..Hα-helixtrans-64.8-44.3-179-165.50000111.7M101 E105 S115 K120 I121 K122M101-S118 WeakPolarHBondContact CE-OG 3.45Å; E105-S118 WeakPolarHBondContact OE1-CB 3.28Å; E105-S118 PolarHBondContact OE1-OG 2.89Å; S115-S118 PolarHBondContact O-N 3.43Å; S115-S118 VanDerWaalsContact O-N 3.07Å; S118-K120 VanDerWaalsContact C-N 3.31Å; S118-K120 PolarHBondContact O-N 3.09Å; S118-I121 PolarHBondContact O-N 2.88Å; S118-K122 PolarHBondContact O-N 3.37Å
119S69.8Low65Low64 Ų6486.8 Ų86.845%0.44842%0.424SS..Hα-helixtrans-60.5-39.1174.3-64.10000112.5R123S119-R123 WeakPolarHBondContact O-CB 3.4Å; S119-R123 PolarHBondContact O-N 3.37Å
120K68.8Low65.7Low161 Ų16189.5 Ų89.570%0.743%0.426SS*.Hα-helixtrans-63.9-42.8176.5-171.4177.9-179.7-179.40111.8S116 K117 S118 R123 C124S116-K120 WeakPolarHBondContact O-CB 3.14Å; S116-K120 PolarHBondContact O-N 3.14Å; K117-K120 WeakPolarHBondContact O-CB 3.4Å; K117-K120 PolarHBondContact O-N 3.41Å; S118-K120 VanDerWaalsContact C-N 3.31Å; S118-K120 PolarHBondContact O-N 3.09Å; K120-R123 PolarHBondContact O-N 2.62Å; K120-C124 PolarHBondContact O-N 3.11Å
121I64.3Low66.4Low34 Ų3484.1 Ų84.117%0.17441%0.407CS..Hα-helixtrans-66-47.5178.4-70.4168.7000110.9L14 M101 K117 S118 R123 C124 F125L14-I121 HydrophobicContact CB-CD1 4.17Å; L14-I121 HydrophobicContact CD1-CD1 3.6Å; L14-I121 HydrophobicContact CD2-CD1 3.65Å; L14-I121 HydrophobicContact CG-CD1 3.99Å; M101-I121 HydrophobicContact CE-CG2 4.43Å; K117-I121 WeakPolarHBondContact O-CG1 3.39Å; K117-I121 PolarHBondContact O-N 2.95Å; S118-I121 PolarHBondContact O-N 2.88Å; I121-R123 VanDerWaalsContact C-N 3.3Å; I121-R123 PolarHBondContact O-N 2.95Å; I121-C124 VanDerWaalsContact O-CB 3.29Å; I121-C124 WeakPolarHBondContact O-CB 3.3Å; I121-C124 PolarHBondContact O-N 3.3Å; I121-C124 VanDerWaalsContact O-N 3.09Å; I121-F125 HydrophobicContact CG2-CD2 3.75Å; I121-F125 HydrophobicContact CG2-CE2 3.38Å; I121-F125 HydrophobicContact CG2-CZ 4.48Å; I121-F125 VanDerWaalsContact O-CD2 3.28Å; I121-F125 WeakPolarHBondContact O-CD2 3.45Å; I121-F125 PolarHBondContact O-N 3.35Å; I121-F125 VanDerWaalsContact O-N 3.09Å
122K67.8Low67.1Low27 Ų2778.5 Ų78.512%0.11738%0.382CS..Hα-helixtrans-57.2-43.4175.4-75.1-177.1175.9-176.60112.4M101 E105 S118 C124 F125 K126M101-K122 VanDerWaalsContact C-CE 3.42Å; M101-K122 HydrophobicContact CB-CD 4.42Å; M101-K122 HydrophobicContact CB-CG 4Å; M101-K122 WeakPolarHBondContact O-CE 3.41Å; M101-K122 PolarHBondContact O-NZ 3.34Å; E105-K122 VanDerWaalsContact CD-CE 3.47Å; E105-K122 WeakPolarHBondContact OE1-CE 3.41Å; E105-K122 IonicContact OE1-NZ 3.14Å; E105-K122 PolarHBondContact OE1-NZ 3.38Å; E105-K122 VanDerWaalsContact OE1-NZ 3.13Å; E105-K122 IonicContact OE2-NZ 3.23Å; E105-K122 PolarHBondContact OE2-NZ 3.13Å; S118-K122 PolarHBondContact O-N 3.37Å; K122-C124 VanDerWaalsContact C-N 3.3Å; K122-C124 PolarHBondContact O-N 3.01Å; K122-F125 PolarHBondContact O-N 3.49Å; K122-K126 WeakPolarHBondContact O-CG 3.45Å; K122-K126 PolarHBondContact O-N 3.19Å
123R74Confident68.1Low164 Ų16471.2 Ų71.262%0.61936%0.358SS*.Hα-helixtrans-62.4-39.3177-170.2-176.5-59.6165.90.5111.5S119 K120 I121 K126 N127S119-R123 WeakPolarHBondContact O-CB 3.4Å; S119-R123 PolarHBondContact O-N 3.37Å; K120-R123 PolarHBondContact O-N 2.62Å; I121-R123 VanDerWaalsContact C-N 3.3Å; I121-R123 PolarHBondContact O-N 2.95Å; R123-K126 PolarHBondContact O-N 3.39Å; R123-N127 WeakPolarHBondContact O-CB 3.48Å; R123-N127 PolarHBondContact O-N 3.12Å; R123-N127 PolarHBondContact O-OD1 2.82Å
124C70.6Confident69.4Low54 Ų5477.3 Ų77.337%0.36538%0.38SS..Hα-helixtrans-58.5-55175.4-160.10000110.8L7 K120 I121 K122 K126 N127 D128L7-C124 HydrophobicContact CD2-CB 4.45Å; K120-C124 PolarHBondContact O-N 3.11Å; I121-C124 VanDerWaalsContact O-CB 3.29Å; I121-C124 WeakPolarHBondContact O-CB 3.3Å; I121-C124 PolarHBondContact O-N 3.3Å; I121-C124 VanDerWaalsContact O-N 3.09Å; K122-C124 VanDerWaalsContact C-N 3.3Å; K122-C124 PolarHBondContact O-N 3.01Å; C124-K126 VanDerWaalsContact C-N 3.31Å; C124-K126 PolarHBondContact O-N 3.36Å; C124-N127 PolarHBondContact O-N 3.3Å; C124-D128 VanDerWaalsContact O-CG 3.28Å; C124-D128 PolarHBondContact O-N 2.93Å
125F67.9Low70.4Confident3 Ų370.3 Ų70.31%0.01335%0.35CS..Hα-helixtrans-58.4-40.6179.1-73-64000113.5L7 L11 N94 C97 V98 I121 K122 D128 A129L7-F125 HydrophobicContact CB-CD1 4.41Å; L7-F125 HydrophobicContact CB-CE1 3.62Å; L7-F125 HydrophobicContact CB-CZ 4.14Å; L7-F125 HydrophobicContact CD1-CD1 4.31Å; L7-F125 HydrophobicContact CD1-CE1 4.29Å; L7-F125 HydrophobicContact CD2-CD1 4.32Å; L7-F125 HydrophobicContact CD2-CE1 4.13Å; L7-F125 HydrophobicContact CG-CE1 4.23Å; L11-F125 HydrophobicContact CB-CZ 4.21Å; L11-F125 HydrophobicContact CD1-CE2 4.38Å; N94-F125 WeakPolarHBondContact OD1-CD1 3.39Å; C97-F125 HydrophobicContact CB-CD1 3.93Å; C97-F125 HydrophobicContact CB-CD2 4.24Å; C97-F125 HydrophobicContact CB-CE1 3.68Å; C97-F125 HydrophobicContact CB-CE2 4.04Å; C97-F125 HydrophobicContact CB-CG 4.2Å; C97-F125 HydrophobicContact CB-CZ 3.78Å; V98-F125 HydrophobicContact CG2-CB 3.47Å; V98-F125 VanDerWaalsContact CG2-CB 3.47Å; V98-F125 HydrophobicContact CG2-CG 4.36Å; I121-F125 HydrophobicContact CG2-CD2 3.75Å; I121-F125 HydrophobicContact CG2-CE2 3.38Å; I121-F125 HydrophobicContact CG2-CZ 4.48Å; I121-F125 VanDerWaalsContact O-CD2 3.28Å; I121-F125 WeakPolarHBondContact O-CD2 3.45Å; I121-F125 PolarHBondContact O-N 3.35Å; I121-F125 VanDerWaalsContact O-N 3.09Å; K122-F125 PolarHBondContact O-N 3.49Å; F125-D128 PolarHBondContact O-N 2.85Å; F125-A129 WeakPolarHBondContact O-CB 3.27Å; F125-A129 PolarHBondContact O-N 3.38Å
126K73.8Confident71.1Confident104 Ų10469 Ų6945%0.45234%0.339SS..Hα-helixtrans-63.8-47.7176.1-75.6-176175.3-165.90112.3V98 K122 R123 C124 D128 A129 E130V98-K126 HydrophobicContact CG2-CG 4.2Å; K122-K126 WeakPolarHBondContact O-CG 3.45Å; K122-K126 PolarHBondContact O-N 3.19Å; R123-K126 PolarHBondContact O-N 3.39Å; C124-K126 VanDerWaalsContact C-N 3.31Å; C124-K126 PolarHBondContact O-N 3.36Å; K126-D128 VanDerWaalsContact C-N 3.25Å; K126-D128 PolarHBondContact O-N 2.9Å; K126-A129 PolarHBondContact O-N 2.9Å; K126-E130 WeakPolarHBondContact O-CB 3.43Å; K126-E130 WeakPolarHBondContact O-CG 3.31Å; K126-E130 PolarHBondContact O-N 2.81Å
127N75.6Confident71.7Confident73 Ų7370.6 Ų70.639%0.3934%0.338SS..Hα-helixtrans-62.3-38.1178.3-69.65.5000110.9R123 C124 E130 N131R123-N127 WeakPolarHBondContact O-CB 3.48Å; R123-N127 PolarHBondContact O-N 3.12Å; R123-N127 PolarHBondContact O-OD1 2.82Å; C124-N127 PolarHBondContact O-N 3.3Å; N127-E130 PolarHBondContact O-N 3.4Å; N127-N131 WeakPolarHBondContact O-CB 3.49Å; N127-N131 PolarHBondContact O-N 2.96Å; N127-N131 PolarHBondContact O-ND2 3.14Å; N127-N131 VanDerWaalsContact O-ND2 3.17Å
128D69.7Low72.2Confident21 Ų2170 Ų7011%0.11234%0.337CS..Hα-helixtrans-67.6-44177.2-67.4-31.8000111.3L7 N94 C124 F125 K126 N131 V132L7-D128 HydrophobicContact CD1-CB 4.42Å; L7-D128 WeakPolarHBondContact CD1-OD2 3.26Å; N94-D128 WeakPolarHBondContact ND2-CB 3.04Å; C124-D128 VanDerWaalsContact O-CG 3.28Å; C124-D128 PolarHBondContact O-N 2.93Å; F125-D128 PolarHBondContact O-N 2.85Å; K126-D128 VanDerWaalsContact C-N 3.25Å; K126-D128 PolarHBondContact O-N 2.9Å; D128-N131 PolarHBondContact O-N 3.25Å; D128-V132 WeakPolarHBondContact O-CB 3.46Å; D128-V132 WeakPolarHBondContact O-CG2 3.48Å; D128-V132 PolarHBondContact O-N 2.83Å
129A69.2Low72.4Confident12 Ų1272.7 Ų72.710%0.09935%0.349CS..Hα-helixtrans-58.8-44.7171.700000112.4D91 N94 F125 K126 N131 V132 N133D91-A129 WeakPolarHBondContact OD1-CA 3.39Å; D91-A129 VanDerWaalsContact OD1-CB 3.25Å; D91-A129 WeakPolarHBondContact OD1-CB 3.42Å; N94-A129 HydrophobicContact CB-CB 4Å; N94-A129 PolarHBondContact ND2-N 3.41Å; F125-A129 WeakPolarHBondContact O-CB 3.27Å; F125-A129 PolarHBondContact O-N 3.38Å; K126-A129 PolarHBondContact O-N 2.9Å; A129-N131 PolarHBondContact O-N 3.15Å; A129-V132 PolarHBondContact O-N 2.96Å; A129-N133 VanDerWaalsContact O-CB 3.3Å; A129-N133 WeakPolarHBondContact O-CB 3.05Å; A129-N133 PolarHBondContact O-N 3.37Å; A129-N133 PolarHBondContact O-ND2 3.45Å; A129-N133 VanDerWaalsContact O-ND2 3.15Å
130E75.8Confident72.2Confident116 Ų11670.2 Ų70.254%0.54233%0.333SS..Hα-helixtrans-64.1-39.7177-73.7171-168.600112.4K126 N127 R134K126-E130 WeakPolarHBondContact O-CB 3.43Å; K126-E130 WeakPolarHBondContact O-CG 3.31Å; K126-E130 PolarHBondContact O-N 2.81Å; N127-E130 PolarHBondContact O-N 3.4Å; E130-R134 WeakPolarHBondContact O-CB 3.2Å; E130-R134 PolarHBondContact O-N 3.22Å
131N75.7Confident72.1Confident85 Ų8565.5 Ų65.546%0.45532%0.318SS..Hα-helixtrans-66.6-43.5176.3-73.8-24.6000111.5N127 D128 A129 R134 E135N127-N131 WeakPolarHBondContact O-CB 3.49Å; N127-N131 PolarHBondContact O-N 2.96Å; N127-N131 PolarHBondContact O-ND2 3.14Å; N127-N131 VanDerWaalsContact O-ND2 3.17Å; D128-N131 PolarHBondContact O-N 3.25Å; A129-N131 PolarHBondContact O-N 3.15Å; N131-R134 WeakPolarHBondContact O-CB 3.4Å; N131-R134 PolarHBondContact O-N 3.01Å; N131-E135 WeakPolarHBondContact O-CB 3.44Å; N131-E135 PolarHBondContact O-N 3.48Å
132V71.8Confident72.1Confident13 Ų1372.7 Ų72.78%0.07935%0.351CS..Hα-helixtrans-64.1-44.9176.7167.60000110.7L87 I90 D91 D128 A129 R134 E135 L136L87-V132 HydrophobicContact CB-CG1 3.91Å; L87-V132 HydrophobicContact CD2-CB 4.4Å; L87-V132 HydrophobicContact CD2-CG1 3.99Å; L87-V132 HydrophobicContact CD2-CG2 4.09Å; L87-V132 WeakPolarHBondContact O-CG1 3.45Å; I90-V132 HydrophobicContact CB-CG2 4.36Å; I90-V132 HydrophobicContact CG2-CG2 3.76Å; D91-V132 HydrophobicContact CB-CG1 3.82Å; D128-V132 WeakPolarHBondContact O-CB 3.46Å; D128-V132 WeakPolarHBondContact O-CG2 3.48Å; D128-V132 PolarHBondContact O-N 2.83Å; A129-V132 PolarHBondContact O-N 2.96Å; V132-R134 VanDerWaalsContact C-N 3.33Å; V132-R134 PolarHBondContact O-N 3.17Å; V132-E135 CarbonylContact O-C 3.3Å; V132-E135 PolarHBondContact O-N 3.36Å; V132-E135 VanDerWaalsContact O-N 3.13Å; V132-L136 HydrophobicContact CG1-CD1 4.13Å; V132-L136 HydrophobicContact CG1-CG 4.47Å; V132-L136 WeakPolarHBondContact O-CG 3.16Å; V132-L136 PolarHBondContact O-N 3.33Å
133N74.8Confident72Confident64 Ų6476.3 Ų76.334%0.34237%0.371SS..Hα-helixtrans-60.6-41.6175.4-88.7-51.2000112.4D91 A129 E135 L136 I137D91-N133 PolarHBondContact OD1-ND2 3.05Å; D91-N133 PolarHBondContact OD2-ND2 3.38Å; D91-N133 PolarHBondContact OD2-OD1 3.24Å; A129-N133 VanDerWaalsContact O-CB 3.3Å; A129-N133 WeakPolarHBondContact O-CB 3.05Å; A129-N133 PolarHBondContact O-N 3.37Å; A129-N133 PolarHBondContact O-ND2 3.45Å; A129-N133 VanDerWaalsContact O-ND2 3.15Å; N133-E135 VanDerWaalsContact C-N 3.33Å; N133-E135 PolarHBondContact O-N 3.19Å; N133-L136 WeakPolarHBondContact O-CB 3.48Å; N133-L136 PolarHBondContact O-N 2.81Å; N133-I137 VanDerWaalsContact O-CG1 3.31Å; N133-I137 WeakPolarHBondContact O-CG1 3.42Å; N133-I137 PolarHBondContact O-N 3.49Å
134R80Confident71.8Confident142 Ų14268.7 Ų68.754%0.53634%0.343SS..Hα-helixtrans-60.6-45.2173.2-169.6-169.7-44.8-134.9-1.7111.3E130 N131 V132 L136 I137 E138E130-R134 WeakPolarHBondContact O-CB 3.2Å; E130-R134 PolarHBondContact O-N 3.22Å; N131-R134 WeakPolarHBondContact O-CB 3.4Å; N131-R134 PolarHBondContact O-N 3.01Å; V132-R134 VanDerWaalsContact C-N 3.33Å; V132-R134 PolarHBondContact O-N 3.17Å; R134-L136 VanDerWaalsContact C-N 3.3Å; R134-L136 PolarHBondContact O-N 3.07Å; R134-I137 PolarHBondContact O-N 2.82Å; R134-E138 WeakPolarHBondContact O-CB 3.44Å; R134-E138 WeakPolarHBondContact O-CG 3.45Å; R134-E138 PolarHBondContact O-N 2.94Å
135E75.9Confident71.4Confident48 Ų4874.1 Ų74.122%0.22436%0.356CS..Hα-helixtrans-65.3-34.3178-166.1174.2179.500112R83 L87 N131 V132 N133 E138 K139R83-E135 IonicContact CZ-OE1 3.17Å; R83-E135 IonicContact NE-OE1 3.13Å; R83-E135 PolarHBondContact NE-OE1 3.44Å; R83-E135 IonicContact NH2-OE1 2.62Å; R83-E135 PolarHBondContact NH2-OE1 2.94Å; L87-E135 HydrophobicContact CD1-CB 3.98Å; L87-E135 HydrophobicContact CD1-CG 3.57Å; L87-E135 HydrophobicContact CD2-CB 4.38Å; L87-E135 HydrophobicContact CD2-CG 4.39Å; N131-E135 WeakPolarHBondContact O-CB 3.44Å; N131-E135 PolarHBondContact O-N 3.48Å; V132-E135 CarbonylContact O-C 3.3Å; V132-E135 PolarHBondContact O-N 3.36Å; V132-E135 VanDerWaalsContact O-N 3.13Å; N133-E135 VanDerWaalsContact C-N 3.33Å; N133-E135 PolarHBondContact O-N 3.19Å; E135-E138 PolarHBondContact O-N 2.47Å; E135-K139 HydrophobicContact CG-CD 3.77Å; E135-K139 HydrophobicContact CG-CG 4.34Å; E135-K139 WeakPolarHBondContact O-CA 3.01Å; E135-K139 WeakPolarHBondContact O-CB 3.48Å; E135-K139 WeakPolarHBondContact O-CG 3.4Å; E135-K139 PolarHBondContact O-N 2.85Å; E135-K139 IonicContact OE1-NZ 2.91Å; E135-K139 PolarHBondContact OE1-NZ 3.24Å
136L72Confident71Confident23 Ų2379.3 Ų79.312%0.1238%0.379CS..Hα-helixtrans-66-40.7172.6-75.4171.3000112.4V84 L87 Q88 V132 N133 R134 G140V84-L136 HydrophobicContact CB-CD2 4.5Å; V84-L136 HydrophobicContact CG1-CD2 3.76Å; V84-L136 WeakPolarHBondContact O-CD2 3.23Å; L87-L136 HydrophobicContact CB-CD1 4.34Å; L87-L136 HydrophobicContact CB-CD2 3.47Å; L87-L136 VanDerWaalsContact CB-CD2 3.47Å; L87-L136 HydrophobicContact CB-CG 3.76Å; L87-L136 HydrophobicContact CD1-CD2 4.25Å; L87-L136 HydrophobicContact CD1-CG 4.49Å; Q88-L136 HydrophobicContact CG-CD1 3.91Å; Q88-L136 HydrophobicContact CG-CD2 3.68Å; Q88-L136 HydrophobicContact CG-CG 4.48Å; V132-L136 HydrophobicContact CG1-CD1 4.13Å; V132-L136 HydrophobicContact CG1-CG 4.47Å; V132-L136 WeakPolarHBondContact O-CG 3.16Å; V132-L136 PolarHBondContact O-N 3.33Å; N133-L136 WeakPolarHBondContact O-CB 3.48Å; N133-L136 PolarHBondContact O-N 2.81Å; R134-L136 VanDerWaalsContact C-N 3.3Å; R134-L136 PolarHBondContact O-N 3.07Å; L136-G140 WeakPolarHBondContact O-CA 3.21Å; L136-G140 PolarHBondContact O-N 3.48Å
137I78.2Confident70.1Confident136 Ų13674.9 Ų74.970%0.69736%0.36SS*.Hα-helixtrans-65.3-44.3175.2-67.6163.1000110N133 R134 N143N133-I137 VanDerWaalsContact O-CG1 3.31Å; N133-I137 WeakPolarHBondContact O-CG1 3.42Å; N133-I137 PolarHBondContact O-N 3.49Å; R134-I137 PolarHBondContact O-N 2.82Å; I137-N143 PolarHBondContact O-ND2 3.31Å
138E75.5Confident69.1Low120 Ų12077.2 Ų77.256%0.56137%0.373SS*.Hα-helixtrans-68.9-33.3-179.8-72.2173.4-172.500112.6R134 E135 N143R134-E138 WeakPolarHBondContact O-CB 3.44Å; R134-E138 WeakPolarHBondContact O-CG 3.45Å; R134-E138 PolarHBondContact O-N 2.94Å; E135-E138 PolarHBondContact O-N 2.47Å; E138-N143 PolarHBondContact O-ND2 3.1Å
139K69Low68.2Low63 Ų6377.3 Ų77.327%0.27438%0.376SS..Hα-helixtrans-123.315.3-169.3-55.9-176.9-173.1157.80114.2R83 V84 E135R83-K139 VanDerWaalsContact CZ-NZ 3.26Å; V84-K139 WeakPolarHBondContact CG2-O 3.32Å; E135-K139 HydrophobicContact CG-CD 3.77Å; E135-K139 HydrophobicContact CG-CG 4.34Å; E135-K139 WeakPolarHBondContact O-CA 3.01Å; E135-K139 WeakPolarHBondContact O-CB 3.48Å; E135-K139 WeakPolarHBondContact O-CG 3.4Å; E135-K139 PolarHBondContact O-N 2.85Å; E135-K139 IonicContact OE1-NZ 2.91Å; E135-K139 PolarHBondContact OE1-NZ 3.24Å
140G65.8Low67.6Low12 Ų1283.1 Ų83.112%0.12441%0.411CS..  trans-51.2163.2-174.700000112.8L136 E142 N143 C144L136-G140 WeakPolarHBondContact O-CA 3.21Å; L136-G140 PolarHBondContact O-N 3.48Å; G140-E142 PolarHBondContact O-N 2.87Å; G140-N143 WeakPolarHBondContact O-CA 3.2Å; G140-N143 WeakPolarHBondContact O-CB 3.16Å; G140-N143 PolarHBondContact O-N 3.31Å; G140-C144 PolarHBondContact O-N 3.05Å
141T66Low66.5Low61 Ų6181 Ų8137%0.37440%0.403SS..G310 helixtrans-54.9-31.7-177.947.10000112.5I81 V84 N143 C144I81-T141 HydrophobicContact CG1-CG2 4.42Å; V84-T141 HydrophobicContact CB-CG2 4.26Å; V84-T141 HydrophobicContact CG1-CG2 3.84Å; T141-N143 PolarHBondContact O-N 2.95Å; T141-C144 WeakPolarHBondContact O-CB 3.5Å; T141-C144 PolarHBondContact O-N 3.4Å; T141-C144 VanDerWaalsContact O-N 3.12Å
142E65Low65.4Low186 Ų18684.8 Ų84.887%0.86942%0.418SS*.G310 helixtrans-57.2-33.9173.7-44.3-179.3-135.200113.3G140G140-E142 PolarHBondContact O-N 2.87Å
143N66.1Low64.3Low102 Ų10291.4 Ų91.455%0.54545%0.449SS..G310 helixtrans-89.6-8.9-179.5-63.6-25.8000112.5I137 E138 G140 T141 R145I137-N143 PolarHBondContact O-ND2 3.31Å; E138-N143 PolarHBondContact O-ND2 3.1Å; G140-N143 WeakPolarHBondContact O-CA 3.2Å; G140-N143 WeakPolarHBondContact O-CB 3.16Å; G140-N143 PolarHBondContact O-N 3.31Å; T141-N143 PolarHBondContact O-N 2.95Å; N143-R145 PolarHBondContact O-N 3.48Å
144C69Low63.1Low5 Ų590.9 Ų90.93%0.03445%0.447CS..SBendtrans-70.7121.4176.2-64.40000109.2Y77 C80 I81 G140 T141 K146Y77-C144 HydrophobicContact CD2-CB 3.69Å; Y77-C144 HydrophobicContact CE2-CB 3.78Å; C80-C144 VanDerWaalsContact C-SG 3.59Å; C80-C144 HydrophobicContact CB-CB 3.78Å; C80-C144 WeakPolarHBondContact CB-SG 3.2Å; C80-C144 WeakPolarHBondContact SG-CA 3.27Å; C80-C144 WeakPolarHBondContact SG-CB 3.42Å; C80-C144 CovalentContact SG-SG 2.05Å; C80-C144 PolarHBondContact SG-SG 3.41Å; I81-C144 HydrophobicContact CG1-CB 4.3Å; G140-C144 PolarHBondContact O-N 3.05Å; T141-C144 WeakPolarHBondContact O-CB 3.5Å; T141-C144 PolarHBondContact O-N 3.4Å; T141-C144 VanDerWaalsContact O-N 3.12Å; C144-K146 PolarHBondContact O-N 2.69Å
145R63Low61.8Low168 Ų16885.5 Ų85.563%0.63443%0.428SS*.  trans-62.5110.4-179.8-175.6177.9-177.8171.3-1.1109.6Y77 N143Y77-R145 WeakPolarHBondContact CB-O 3.34Å; Y77-R145 WeakPolarHBondContact CD2-O 3.43Å; N143-R145 PolarHBondContact O-N 3.48Å
146K58.9Low60.6Low112 Ų11289.1 Ų89.149%0.48745%0.445SS..  trans-67.4139.3176.5-69.1172.3161.5-133.70110.1Y77 C144 E155Y77-K146 HydrophobicContact CE2-CG 3.88Å; C144-K146 PolarHBondContact O-N 2.69Å; K146-E155 WeakPolarHBondContact CD-OE1 3.3Å; K146-E155 VanDerWaalsContact CE-OE1 3.27Å; K146-E155 WeakPolarHBondContact CE-OE1 3.43Å; K146-E155 IonicContact NZ-OE1 2.93Å; K146-E155 PolarHBondContact NZ-OE1 3.34Å
147P54.8Low59.7Low10 Ų1092.9 Ų92.97%0.06546%0.462CS..  trans-63.7144.7169.126.5-31.1000109.4F68 I74 A149F68-P147 HydrophobicContact CD1-CB 4.2Å; F68-P147 HydrophobicContact CE1-CB 3.93Å; F68-P147 HydrophobicContact CE1-CG 4.02Å; I74-P147 HydrophobicContact CG1-CB 3.66Å; I74-P147 HydrophobicContact CG1-CG 4.07Å; P147-A149 PolarHBondContact O-N 2.92Å
148N54.6Low58.5Low122 Ų12287.5 Ų87.565%0.65244%0.435SS*.  trans-70.574.2173.1-76.7-30000109.6
149A51.2Low57.4Low23 Ų2384.2 Ų84.219%0.1942%0.42CS..  trans-76.4126.7172.800000108.6F68 P147 N151 E155F68-A149 HydrophobicContact CE1-CB 4.11Å; F68-A149 HydrophobicContact CZ-CB 4.09Å; P147-A149 PolarHBondContact O-N 2.92Å; A149-N151 PolarHBondContact O-N 2.8Å; A149-N151 VanDerWaalsContact O-N 3.16Å; A149-E155 HydrophobicContact CB-CB 4.49Å
150T55.6Low56.6Low135 Ų13584 Ų8483%0.82842%0.422SS*.SBendtrans-68.7-7.9174.649.60000113.2
151N52.7Low55.8Low71 Ų7185.5 Ų85.538%0.3843%0.427SS..  trans-130.1100.1-178.2-166.6-9.5000110.8A149 E153 V154 E155A149-N151 PolarHBondContact O-N 2.8Å; A149-N151 VanDerWaalsContact O-N 3.16Å; N151-E153 PolarHBondContact O-N 3.39Å; N151-E153 WeakPolarHBondContact OD1-CB 3.45Å; N151-E153 PolarHBondContact OD1-N 3.04Å; N151-V154 HydrophobicContact CB-CB 4.4Å; N151-V154 HydrophobicContact CB-CG2 4.03Å; N151-V154 PolarHBondContact O-N 3.23Å; N151-V154 VanDerWaalsContact O-N 3.17Å; N151-E155 PolarHBondContact O-N 3.07Å
152E52.4Low55.1Low164 Ų16483.8 Ų83.877%0.76642%0.416SS*.Hα-helixtrans-56.2-30.9177.5-71.6-178160.900112.6E155 H156E152-E155 PolarHBondContact O-N 2.72Å; E152-H156 WeakPolarHBondContact O-CB 3.16Å; E152-H156 PolarHBondContact O-N 2.94Å
153E48.8Very low54Low153 Ų15381.3 Ų81.372%0.71540%0.399SS*.Hα-helixtrans-66.1-39.1178.9-74.3-178.6142.800112.2N151 E155 H156 Q157N151-E153 PolarHBondContact O-N 3.39Å; N151-E153 WeakPolarHBondContact OD1-CB 3.45Å; N151-E153 PolarHBondContact OD1-N 3.04Å; E153-E155 VanDerWaalsContact C-N 3.34Å; E153-H156 PolarHBondContact O-N 2.93Å; E153-Q157 VanDerWaalsContact O-CB 3.29Å; E153-Q157 WeakPolarHBondContact O-CB 3.49Å; E153-Q157 PolarHBondContact O-N 2.81Å
154V51.5Low53Low52 Ų5280 Ų8032%0.31539%0.392SS..Hα-helixtrans-67-40.4178.7176.60000110M63 N151 L158M63-V154 HydrophobicContact SD-CG1 3.87Å; N151-V154 HydrophobicContact CB-CB 4.4Å; N151-V154 HydrophobicContact CB-CG2 4.03Å; N151-V154 PolarHBondContact O-N 3.23Å; N151-V154 VanDerWaalsContact O-N 3.17Å; V154-L158 HydrophobicContact CG1-CD1 4.19Å; V154-L158 WeakPolarHBondContact O-CB 3.44Å; V154-L158 PolarHBondContact O-N 2.84Å; V154-L158 VanDerWaalsContact O-N 3.07Å
155E50.9Low52Low29 Ų2983.6 Ų83.614%0.13641%0.407CS..Hα-helixtrans-65.3-47176.6-167-169.8143.300111.7K146 A149 N151 E152 E153 L158 L159K146-E155 WeakPolarHBondContact CD-OE1 3.3Å; K146-E155 VanDerWaalsContact CE-OE1 3.27Å; K146-E155 WeakPolarHBondContact CE-OE1 3.43Å; K146-E155 IonicContact NZ-OE1 2.93Å; K146-E155 PolarHBondContact NZ-OE1 3.34Å; A149-E155 HydrophobicContact CB-CB 4.49Å; N151-E155 PolarHBondContact O-N 3.07Å; E152-E155 PolarHBondContact O-N 2.72Å; E153-E155 VanDerWaalsContact C-N 3.34Å; E155-L158 PolarHBondContact O-N 3.26Å; E155-L159 HydrophobicContact CG-CD1 4.42Å; E155-L159 WeakPolarHBondContact O-CG 3.5Å; E155-L159 PolarHBondContact O-N 3.3Å
156H51.5Low50.9Low124 Ų12477.8 Ų77.857%0.57439%0.388SS*.Hα-helixtrans-65.6-41.4-179.2-165.7-93.4000111.8E152 E153 L158 L159 L160E152-H156 WeakPolarHBondContact O-CB 3.16Å; E152-H156 PolarHBondContact O-N 2.94Å; E153-H156 PolarHBondContact O-N 2.93Å; H156-L158 VanDerWaalsContact C-N 3.34Å; H156-L158 PolarHBondContact O-N 3.23Å; H156-L159 PolarHBondContact O-N 3.35Å; H156-L160 VanDerWaalsContact CE1-CD1 3.46Å; H156-L160 WeakPolarHBondContact CE1-CD1 3.44Å; H156-L160 WeakPolarHBondContact ND1-CD1 3.5Å; H156-L160 WeakPolarHBondContact O-CB 3.17Å; H156-L160 PolarHBondContact O-N 3.39Å
157Q52.9Low49.9Very low103 Ų10377.4 Ų77.448%0.48139%0.391SS..Hα-helixtrans-65-39.3176.4-170.260.449.800111.6E153 L160 D161E153-Q157 VanDerWaalsContact O-CB 3.29Å; E153-Q157 WeakPolarHBondContact O-CB 3.49Å; E153-Q157 PolarHBondContact O-N 2.81Å; Q157-L160 PolarHBondContact O-N 2.92Å; Q157-D161 PolarHBondContact NE2-OD1 2.9Å; Q157-D161 WeakPolarHBondContact O-CB 3.29Å; Q157-D161 VanDerWaalsContact O-CG 3.24Å; Q157-D161 PolarHBondContact O-N 3.21Å
158L53.9Low49.1Very low23 Ų2384 Ų8412%0.1244%0.438CS..Hα-helixtrans-61.9-44.5175.1-101.5155.9000112.4F56 V154 E155 H156 D161 I162F56-L158 HydrophobicContact CD2-CD2 3.47Å; F56-L158 VanDerWaalsContact CD2-CD2 3.47Å; F56-L158 HydrophobicContact CE2-CD1 3.97Å; F56-L158 HydrophobicContact CE2-CD2 3.45Å; F56-L158 VanDerWaalsContact CE2-CD2 3.45Å; F56-L158 HydrophobicContact CE2-CG 4.35Å; V154-L158 HydrophobicContact CG1-CD1 4.19Å; V154-L158 WeakPolarHBondContact O-CB 3.44Å; V154-L158 PolarHBondContact O-N 2.84Å; V154-L158 VanDerWaalsContact O-N 3.07Å; E155-L158 PolarHBondContact O-N 3.26Å; H156-L158 VanDerWaalsContact C-N 3.34Å; H156-L158 PolarHBondContact O-N 3.23Å; L158-D161 PolarHBondContact O-N 3.43Å; L158-I162 WeakPolarHBondContact O-CD1 3.25Å; L158-I162 VanDerWaalsContact O-CG1 3.28Å; L158-I162 WeakPolarHBondContact O-CG1 3.17Å; L158-I162 PolarHBondContact O-N 2.95Å; L158-I162 VanDerWaalsContact O-N 3.08Å
159L52.1Low48.9Very low50 Ų5082.2 Ų82.226%0.26243%0.427SS..Hα-helixtrans-65.4-40.1176.9-71.5168000112Y77 I81 E155 H156 I162 Y163Y77-L159 HydrophobicContact CE1-CD2 4.2Å; Y77-L159 WeakPolarHBondContact OH-CD2 3.48Å; I81-L159 HydrophobicContact CD1-CD2 3.82Å; E155-L159 HydrophobicContact CG-CD1 4.42Å; E155-L159 WeakPolarHBondContact O-CG 3.5Å; E155-L159 PolarHBondContact O-N 3.3Å; H156-L159 PolarHBondContact O-N 3.35Å; L159-I162 PolarHBondContact O-N 2.8Å; L159-Y163 VanDerWaalsContact O-CB 3.27Å; L159-Y163 WeakPolarHBondContact O-CB 3.23Å; L159-Y163 PolarHBondContact O-N 3.11Å
160L51.2Low48.7Very low60 Ų6085.3 Ų85.331%0.31444%0.44SS..Hα-helixtrans-62.1-44.2173.3-94.3159.6000112.1H156 Q157 I162 Y163 N164H156-L160 VanDerWaalsContact CE1-CD1 3.46Å; H156-L160 WeakPolarHBondContact CE1-CD1 3.44Å; H156-L160 WeakPolarHBondContact ND1-CD1 3.5Å; H156-L160 WeakPolarHBondContact O-CB 3.17Å; H156-L160 PolarHBondContact O-N 3.39Å; Q157-L160 PolarHBondContact O-N 2.92Å; L160-I162 VanDerWaalsContact C-N 3.34Å; L160-I162 PolarHBondContact O-N 3.49Å; L160-Y163 PolarHBondContact O-N 3.29Å; L160-N164 VanDerWaalsContact O-CB 3.24Å; L160-N164 WeakPolarHBondContact O-CB 3.23Å; L160-N164 PolarHBondContact O-N 2.93Å; L160-N164 PolarHBondContact O-ND2 3.06Å; L160-N164 VanDerWaalsContact O-ND2 3.14Å
161D50Low48.4Very low43 Ų4382.5 Ų82.523%0.2342%0.418CS..Hα-helixtrans-60.8-45.4179.1-75.2-1.9000110.6K59 Q157 L158 K165K59-D161 IonicContact NZ-OD2 2.64Å; K59-D161 PolarHBondContact NZ-OD2 3.33Å; Q157-D161 PolarHBondContact NE2-OD1 2.9Å; Q157-D161 WeakPolarHBondContact O-CB 3.29Å; Q157-D161 VanDerWaalsContact O-CG 3.24Å; Q157-D161 PolarHBondContact O-N 3.21Å; L158-D161 PolarHBondContact O-N 3.43Å; D161-K165 WeakPolarHBondContact O-CB 3.27Å; D161-K165 WeakPolarHBondContact O-CG 2.97Å; D161-K165 PolarHBondContact O-N 3.5Å; D161-K165 VanDerWaalsContact O-N 3.08Å
162I50.1Low48.1Very low25 Ų2583.2 Ų83.213%0.12842%0.42CS..Hα-helixtrans-63.8-49.2176.9-64.2161.6000110.1F78 F85 L158 L159 L160 N164 K165 M166F78-I162 HydrophobicContact CE1-CD1 3.56Å; F78-I162 HydrophobicContact CZ-CD1 4.06Å; F85-I162 HydrophobicContact CE2-CG2 4.36Å; L158-I162 WeakPolarHBondContact O-CD1 3.25Å; L158-I162 VanDerWaalsContact O-CG1 3.28Å; L158-I162 WeakPolarHBondContact O-CG1 3.17Å; L158-I162 PolarHBondContact O-N 2.95Å; L158-I162 VanDerWaalsContact O-N 3.08Å; L159-I162 PolarHBondContact O-N 2.8Å; L160-I162 VanDerWaalsContact C-N 3.34Å; L160-I162 PolarHBondContact O-N 3.49Å; I162-N164 PolarHBondContact O-N 3.08Å; I162-K165 PolarHBondContact O-N 3.42Å; I162-M166 HydrophobicContact CG2-CE 3.97Å; I162-M166 HydrophobicContact CG2-SD 4.16Å; I162-M166 WeakPolarHBondContact O-CG 3.22Å; I162-M166 PolarHBondContact O-N 2.86Å; I162-M166 VanDerWaalsContact O-N 3.1Å
163Y43.1Very low47.8Very low134 Ų13478.1 Ų78.153%0.52540%0.399SS..Hα-helixtrans-58.2-49.6179.6-179.8-96.9000111.9L159 L160 K165 M166 N167L159-Y163 VanDerWaalsContact O-CB 3.27Å; L159-Y163 WeakPolarHBondContact O-CB 3.23Å; L159-Y163 PolarHBondContact O-N 3.11Å; L160-Y163 PolarHBondContact O-N 3.29Å; Y163-K165 VanDerWaalsContact C-N 3.33Å; Y163-K165 PolarHBondContact O-N 3.37Å; Y163-M166 PolarHBondContact O-N 3.13Å; Y163-N167 WeakPolarHBondContact CE1-ND2 3.32Å; Y163-N167 WeakPolarHBondContact CE2-ND2 3.26Å; Y163-N167 PolarHBondContact O-N 3.03Å; Y163-N167 PolarHBondContact O-ND2 2.67Å
164N45.3Very low47.8Very low75 Ų7573.1 Ų73.140%0.40138%0.377SS..Hα-helixtrans-63.3-41-178.2-72.7-28.2000111.3L160 I162 N167 S168L160-N164 VanDerWaalsContact O-CB 3.24Å; L160-N164 WeakPolarHBondContact O-CB 3.23Å; L160-N164 PolarHBondContact O-N 2.93Å; L160-N164 PolarHBondContact O-ND2 3.06Å; L160-N164 VanDerWaalsContact O-ND2 3.14Å; I162-N164 PolarHBondContact O-N 3.08Å; N164-N167 PolarHBondContact O-N 3.19Å; N164-S168 WeakPolarHBondContact O-CB 3.4Å; N164-S168 PolarHBondContact O-N 3.15Å; N164-S168 VanDerWaalsContact O-N 3.08Å; N164-S168 PolarHBondContact O-OG 3.35Å
165K47.8Very low47.5Very low79 Ų7974.6 Ų74.634%0.34338%0.382SS..Hα-helixtrans-70.7-29.8179.7-76.5-171.6-164166.60114.3E52 D161 I162 Y163 N167E52-K165 WeakPolarHBondContact OE1-CD 3.38Å; E52-K165 IonicContact OE1-NZ 2.89Å; E52-K165 PolarHBondContact OE1-NZ 2.97Å; E52-K165 VanDerWaalsContact OE1-NZ 3.17Å; E52-K165 WeakPolarHBondContact OE2-CD 3.39Å; E52-K165 IonicContact OE2-NZ 2.78Å; E52-K165 PolarHBondContact OE2-NZ 3.16Å; D161-K165 WeakPolarHBondContact O-CB 3.27Å; D161-K165 WeakPolarHBondContact O-CG 2.97Å; D161-K165 PolarHBondContact O-N 3.5Å; D161-K165 VanDerWaalsContact O-N 3.08Å; I162-K165 PolarHBondContact O-N 3.42Å; Y163-K165 VanDerWaalsContact C-N 3.33Å; Y163-K165 PolarHBondContact O-N 3.37Å; K165-N167 VanDerWaalsContact C-N 3.29Å
166M39.3Very low47.3Very low46 Ų4678.2 Ų78.223%0.22740%0.401CS..Hα-helixtrans-74.1-25.8174.8-66178.8-53.300112.6F85 I162 Y163F85-M166 HydrophobicContact CB-SD 4.38Å; F85-M166 HydrophobicContact CD1-CE 3.78Å; F85-M166 HydrophobicContact CD1-SD 3.76Å; F85-M166 HydrophobicContact CD2-CE 3.94Å; F85-M166 HydrophobicContact CD2-SD 3.55Å; F85-M166 VanDerWaalsContact CD2-SD 3.55Å; F85-M166 HydrophobicContact CE1-CE 3.29Å; F85-M166 HydrophobicContact CE1-SD 3.92Å; F85-M166 HydrophobicContact CE2-CE 3.4Å; F85-M166 HydrophobicContact CE2-SD 3.65Å; F85-M166 HydrophobicContact CG-CE 4.13Å; F85-M166 HydrophobicContact CG-SD 3.63Å; F85-M166 HydrophobicContact CZ-CE 3.11Å; F85-M166 HydrophobicContact CZ-SD 3.9Å; I162-M166 HydrophobicContact CG2-CE 3.97Å; I162-M166 HydrophobicContact CG2-SD 4.16Å; I162-M166 WeakPolarHBondContact O-CG 3.22Å; I162-M166 PolarHBondContact O-N 2.86Å; I162-M166 VanDerWaalsContact O-N 3.1Å; Y163-M166 PolarHBondContact O-N 3.13Å
167N38.2Very low46.9Very low104 Ų10474.3 Ų74.356%0.55639%0.386SS*.  trans-93.7-2.3178.9-67.1-52.7000113.7Y163 N164 K165Y163-N167 WeakPolarHBondContact CE1-ND2 3.32Å; Y163-N167 WeakPolarHBondContact CE2-ND2 3.26Å; Y163-N167 PolarHBondContact O-N 3.03Å; Y163-N167 PolarHBondContact O-ND2 2.67Å; N164-N167 PolarHBondContact O-N 3.19Å; K165-N167 VanDerWaalsContact C-N 3.29Å
168S38.9Very low46.4Very low150 Ų15071.7 Ų71.7100%1.04938%0.378SS*.  trans-96.70177-600000111.5N164N164-S168 WeakPolarHBondContact O-CB 3.4Å; N164-S168 PolarHBondContact O-N 3.15Å; N164-S168 VanDerWaalsContact O-N 3.08Å; N164-S168 PolarHBondContact O-OG 3.35Å

Retrieved 168 of 168 residues in 149.5 ms (Link to these results)

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