A0A077ZEJ6_TRITR Loading...

Cyclin-dependent kinase 8

AlphaFold DB , UniProt , Accession A0A077ZEJ6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 336 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
1M54.6Low84.5Confident246 Ų246119.5 Ų119.5100%1.21259%0.59SS**  0116.50-152.8173.5-86.600105.5
2V67.4Low84.9Confident106 Ų106117.2 Ų117.264%0.64260%0.603SS**  trans-73.3132.9179.4179.30000107.4H4 F6V2-H4 PolarHBondContact O-N 2.77Å; V2-F6 HydrophobicContact CG1-CD1 3.77Å; V2-F6 HydrophobicContact CG1-CE1 4.38Å
3D88.8Confident85.4Confident98 Ų98114.1 Ų114.152%0.52461%0.606SS.*  trans-52.2129.7176.5179.3-95.4000110.9D5 F6 K7D3-D5 VanDerWaalsContact C-N 3.35Å; D3-D5 PolarHBondContact OD1-N 2.67Å; D3-F6 HydrophobicContact CB-CB 3.81Å; D3-F6 WeakPolarHBondContact O-CB 3.13Å; D3-F6 PolarHBondContact O-N 2.68Å; D3-F6 WeakPolarHBondContact OD1-CB 3.47Å; D3-F6 PolarHBondContact OD1-N 2.95Å; D3-K7 PolarHBondContact O-N 3.31Å
4H89.1Confident85.8Confident116 Ų116110.9 Ų110.954%0.53758%0.581SS.*Hα-helixtrans-66.1-40.5-172.3172.3-91.5000111.3V2 K7 Q8V2-H4 PolarHBondContact O-N 2.77Å; H4-K7 WeakPolarHBondContact O-CB 3.27Å; H4-K7 PolarHBondContact O-N 2.98Å; H4-Q8 VanDerWaalsContact CE1-CD 3.47Å; H4-Q8 PolarHBondContact CE1-NE2 2.68Å; H4-Q8 PolarHBondContact NE2-NE2 3.22Å; H4-Q8 PolarHBondContact O-N 2.81Å
5D91.1Very high86.3Confident106 Ų106112.4 Ų112.457%0.56758%0.584SS**Hα-helixtrans-69.5-40.9-179-62.6-12.7000110.2D3 K7 Q8 Q9D3-D5 VanDerWaalsContact C-N 3.35Å; D3-D5 PolarHBondContact OD1-N 2.67Å; D5-K7 VanDerWaalsContact C-N 3.32Å; D5-K7 PolarHBondContact O-N 2.83Å; D5-Q8 PolarHBondContact O-N 2.96Å; D5-Q9 PolarHBondContact O-N 3.45Å
6F91.3Very high86.7Confident107 Ų107112.8 Ų112.847%0.46958%0.575SS.*Hα-helixtrans-56-45.1170.4179.2-97.9000112V2 D3 Q8 Q9 M10V2-F6 HydrophobicContact CG1-CD1 3.77Å; V2-F6 HydrophobicContact CG1-CE1 4.38Å; D3-F6 HydrophobicContact CB-CB 3.81Å; D3-F6 WeakPolarHBondContact O-CB 3.13Å; D3-F6 PolarHBondContact O-N 2.68Å; D3-F6 WeakPolarHBondContact OD1-CB 3.47Å; D3-F6 PolarHBondContact OD1-N 2.95Å; F6-Q8 PolarHBondContact O-N 2.81Å; F6-Q9 PolarHBondContact O-N 2.67Å; F6-M10 HydrophobicContact CD1-CG 4.2Å; F6-M10 HydrophobicContact CD2-CG 4.3Å; F6-M10 HydrophobicContact CE1-CG 3.8Å; F6-M10 HydrophobicContact CE2-CG 3.9Å; F6-M10 HydrophobicContact CE2-SD 4.32Å; F6-M10 HydrophobicContact CG-CG 4.44Å; F6-M10 HydrophobicContact CZ-CG 3.64Å; F6-M10 HydrophobicContact CZ-SD 4.18Å; F6-M10 WeakPolarHBondContact O-CB 3.36Å; F6-M10 VanDerWaalsContact O-CG 3.28Å; F6-M10 WeakPolarHBondContact O-CG 3.15Å; F6-M10 PolarHBondContact O-N 2.92Å
7K89.1Confident87.1Confident127 Ų127106.2 Ų106.255%0.55254%0.542SS*.Hα-helixtrans-62.9-41.9178.2-174.8-179.1177.6-175.40111.6D3 H4 D5 N11D3-K7 PolarHBondContact O-N 3.31Å; H4-K7 WeakPolarHBondContact O-CB 3.27Å; H4-K7 PolarHBondContact O-N 2.98Å; D5-K7 VanDerWaalsContact C-N 3.32Å; D5-K7 PolarHBondContact O-N 2.83Å; K7-N11 WeakPolarHBondContact O-CB 3.46Å; K7-N11 PolarHBondContact O-N 2.87Å; K7-N11 PolarHBondContact O-ND2 3.38Å
8Q89.3Confident87.4Confident114 Ų114104.4 Ų104.453%0.53353%0.531SS..Hα-helixtrans-66.5-47.1178.1-70.5-166.1-7.500111.9H4 D5 F6 M10 N11 A12H4-Q8 VanDerWaalsContact CE1-CD 3.47Å; H4-Q8 PolarHBondContact CE1-NE2 2.68Å; H4-Q8 PolarHBondContact NE2-NE2 3.22Å; H4-Q8 PolarHBondContact O-N 2.81Å; D5-Q8 PolarHBondContact O-N 2.96Å; F6-Q8 PolarHBondContact O-N 2.81Å; Q8-M10 PolarHBondContact O-N 3.46Å; Q8-N11 PolarHBondContact O-N 3.23Å; Q8-A12 PolarHBondContact O-N 3.22Å
9Q91.7Very high87.7Confident140 Ų140103.9 Ų103.965%0.65453%0.53SS*.Hα-helixtrans-57.5-48.4176-104.3-175.2-3.300111.8D5 F6 N11 A12 A13D5-Q9 PolarHBondContact O-N 3.45Å; F6-Q9 PolarHBondContact O-N 2.67Å; Q9-N11 VanDerWaalsContact C-N 3.3Å; Q9-N11 PolarHBondContact O-N 3.32Å; Q9-A12 PolarHBondContact O-N 2.82Å; Q9-A13 WeakPolarHBondContact O-CB 3.37Å; Q9-A13 PolarHBondContact O-N 2.88Å
10M89.2Confident87.9Confident82 Ų82101.8 Ų101.840%0.40452%0.519SS..Hα-helixtrans-63.8-35178.4-72.2-63.910000112.4F6 Q8 R14F6-M10 HydrophobicContact CD1-CG 4.2Å; F6-M10 HydrophobicContact CD2-CG 4.3Å; F6-M10 HydrophobicContact CE1-CG 3.8Å; F6-M10 HydrophobicContact CE2-CG 3.9Å; F6-M10 HydrophobicContact CE2-SD 4.32Å; F6-M10 HydrophobicContact CG-CG 4.44Å; F6-M10 HydrophobicContact CZ-CG 3.64Å; F6-M10 HydrophobicContact CZ-SD 4.18Å; F6-M10 WeakPolarHBondContact O-CB 3.36Å; F6-M10 VanDerWaalsContact O-CG 3.28Å; F6-M10 WeakPolarHBondContact O-CG 3.15Å; F6-M10 PolarHBondContact O-N 2.92Å; Q8-M10 PolarHBondContact O-N 3.46Å; M10-R14 VanDerWaalsContact O-CB 3.23Å; M10-R14 WeakPolarHBondContact O-CB 3.33Å; M10-R14 PolarHBondContact O-N 2.84Å; M10-R14 VanDerWaalsContact O-N 3.12Å
11N88Confident88.2Confident73 Ų7397.8 Ų97.839%0.3950%0.498SS..Hα-helixtrans-70.8-36.2176-77.8-15.3000112.8K7 Q8 Q9K7-N11 WeakPolarHBondContact O-CB 3.46Å; K7-N11 PolarHBondContact O-N 2.87Å; K7-N11 PolarHBondContact O-ND2 3.38Å; Q8-N11 PolarHBondContact O-N 3.23Å; Q9-N11 VanDerWaalsContact C-N 3.3Å; Q9-N11 PolarHBondContact O-N 3.32Å
12A89Confident90.1Very high91 Ų9190 Ų9075%0.75246%0.461SS*.Hα-helixtrans-71.4-38.2177.300000112.3Q8 Q9Q8-A12 PolarHBondContact O-N 3.22Å; Q9-A12 PolarHBondContact O-N 2.82Å
13A91.5Very high91.3Very high77 Ų7786.3 Ų86.364%0.63644%0.437SS*.Hα-helixtrans-82.1-11.8179.100000114Q9 Q15Q9-A13 WeakPolarHBondContact O-CB 3.37Å; Q9-A13 PolarHBondContact O-N 2.88Å; A13-Q15 PolarHBondContact O-N 3.33Å
14R91.6Very high91.3Very high69 Ų6989.8 Ų89.826%0.2645%0.45SS..  trans-69.8115-175.7178.5-178.8-59.2-94.2-3.1111M10 R16 L90 H92M10-R14 VanDerWaalsContact O-CB 3.23Å; M10-R14 WeakPolarHBondContact O-CB 3.33Å; M10-R14 PolarHBondContact O-N 2.84Å; M10-R14 VanDerWaalsContact O-N 3.12Å; R14-R16 PolarHBondContact O-N 3.4Å; R14-L90 PolarHBondContact NH1-O 3.2Å; R14-H92 VanDerWaalsContact CZ-NE2 3.32Å; R14-H92 PolarHBondContact NH1-CD2 2.97Å; R14-H92 PolarHBondContact NH1-NE2 3.42Å; R14-H92 PolarHBondContact NH2-CD2 2.77Å; R14-H92 PolarHBondContact NH2-CE1 2.85Å; R14-H92 PolarHBondContact NH2-NE2 2.92Å
15Q92.7Very high91.3Very high134 Ų13488.2 Ų88.263%0.62647%0.465SS*.  trans-66.5125.2165.2-71.1-179-22.200110.4A13 L20 F89A13-Q15 PolarHBondContact O-N 3.33Å; Q15-L20 HydrophobicContact CB-CD1 3.81Å; Q15-L20 HydrophobicContact CG-CD1 4.09Å; Q15-F89 HydrophobicContact CB-CD1 4.43Å; Q15-F89 HydrophobicContact CB-CE1 4.18Å
16R92.9Very high91.3Very high118 Ų11885.3 Ų85.345%0.44545%0.453SS..  trans-104.9143.2174-46.4-173.6-176.4173.91.2109.6R14 E18 D19 L20R14-R16 PolarHBondContact O-N 3.4Å; R16-E18 VanDerWaalsContact C-N 3.28Å; R16-E18 HydrophobicContact CB-CG 4.25Å; R16-E18 PolarHBondContact O-N 2.89Å; R16-D19 HydrophobicContact CB-CB 4.2Å; R16-D19 WeakPolarHBondContact CB-OD2 3.26Å; R16-D19 VanDerWaalsContact CD-OD2 3.26Å; R16-D19 WeakPolarHBondContact CD-OD2 2.93Å; R16-D19 VanDerWaalsContact CG-OD2 3.31Å; R16-D19 WeakPolarHBondContact CG-OD2 3.31Å; R16-D19 IonicContact NE-OD2 2.92Å; R16-D19 PolarHBondContact O-N 3.42Å; R16-L20 WeakPolarHBondContact O-CG 2.92Å; R16-L20 PolarHBondContact O-N 3.12Å
17V93.3Very high91.3Very high2 Ų284.6 Ų84.61%0.01245%0.449CS..Hα-helixtrans-65.7-38.3-175.564.90000110.7D19 L20 F21 F23 I55 F89 W98V17-D19 VanDerWaalsContact C-N 3.31Å; V17-D19 PolarHBondContact O-N 3.19Å; V17-L20 PolarHBondContact O-N 3.31Å; V17-F21 HydrophobicContact CG2-CD2 4.28Å; V17-F21 PolarHBondContact O-N 2.93Å; V17-F23 HydrophobicContact CG1-CE1 4.3Å; V17-F23 HydrophobicContact CG1-CZ 4.24Å; V17-F23 HydrophobicContact CG2-CE1 4.03Å; V17-I55 HydrophobicContact CG2-CD1 3.7Å; V17-I55 HydrophobicContact CG2-CG2 4.18Å; V17-F89 HydrophobicContact CB-CB 4.04Å; V17-F89 HydrophobicContact CB-CD1 4.49Å; V17-F89 HydrophobicContact CB-CD2 3.91Å; V17-F89 HydrophobicContact CB-CG 3.89Å; V17-F89 HydrophobicContact CG2-CD2 3.92Å; V17-F89 HydrophobicContact CG2-CE2 4.27Å; V17-F89 HydrophobicContact CG2-CG 4.42Å; V17-W98 HydrophobicContact CB-CG 4.45Å; V17-W98 HydrophobicContact CG1-CD2 3.89Å; V17-W98 HydrophobicContact CG1-CG 3.9Å; V17-W98 HydrophobicContact CG1-CZ2 4.44Å
18E92.9Very high91.4Very high74 Ų7482.8 Ų82.835%0.34645%0.445SS..Hα-helixtrans-69-24.5177.264.6-86.6-158.900113.5R16 K42R16-E18 VanDerWaalsContact C-N 3.28Å; R16-E18 HydrophobicContact CB-CG 4.25Å; R16-E18 PolarHBondContact O-N 2.89Å; E18-K42 WeakPolarHBondContact O-CE 3.12Å; E18-K42 PolarHBondContact O-NZ 2.57Å
19D92.5Very high91.1Very high95 Ų9578.5 Ų78.551%0.50843%0.432SS..Hα-helixtrans-81.9-29.6176.4-65.1-23.8000111.1R16 V17 K42R16-D19 HydrophobicContact CB-CB 4.2Å; R16-D19 WeakPolarHBondContact CB-OD2 3.26Å; R16-D19 VanDerWaalsContact CD-OD2 3.26Å; R16-D19 WeakPolarHBondContact CD-OD2 2.93Å; R16-D19 VanDerWaalsContact CG-OD2 3.31Å; R16-D19 WeakPolarHBondContact CG-OD2 3.31Å; R16-D19 IonicContact NE-OD2 2.92Å; R16-D19 PolarHBondContact O-N 3.42Å; V17-D19 VanDerWaalsContact C-N 3.31Å; V17-D19 PolarHBondContact O-N 3.19Å; D19-K42 WeakPolarHBondContact O-CD 3.39Å
20L92.6Very high90.6Very high60 Ų6081.5 Ų81.531%0.31444%0.437SS..Hα-helixtrans-95.5-29.3-174.5-66-179.1000114.1Q15 R16 V17 P41 K42 F89Q15-L20 HydrophobicContact CB-CD1 3.81Å; Q15-L20 HydrophobicContact CG-CD1 4.09Å; R16-L20 WeakPolarHBondContact O-CG 2.92Å; R16-L20 PolarHBondContact O-N 3.12Å; V17-L20 PolarHBondContact O-N 3.31Å; L20-P41 CarbonylContact O-C 3.46Å; L20-P41 WeakPolarHBondContact O-CA 3.36Å; L20-K42 PolarHBondContact O-N 3.33Å; L20-F89 HydrophobicContact CD1-CE1 3.72Å; L20-F89 HydrophobicContact CD1-CZ 4.11Å
21F94.4Very high89.7Confident18 Ų1879.8 Ų79.88%0.07944%0.44CS..EExtended strand (participates in β ladder)trans-130.4141.3-172.4-63.4-86000112.4V17 F23 A39 R40 P41 K42 Y53 I55 F89 L100V17-F21 HydrophobicContact CG2-CD2 4.28Å; V17-F21 PolarHBondContact O-N 2.93Å; F21-F23 HydrophobicContact CB-CD1 4.09Å; F21-F23 WeakPolarHBondContact O-CD1 3.43Å; F21-A39 HydrophobicContact CB-CB 4.22Å; F21-A39 HydrophobicContact CD1-CB 4.32Å; F21-R40 CarbonylContact C-O 3.51Å; F21-R40 VanDerWaalsContact CA-O 3.28Å; F21-R40 WeakPolarHBondContact CA-O 3.16Å; F21-P41 HydrophobicContact CD1-CG 4.45Å; F21-P41 HydrophobicContact CE1-CB 4.43Å; F21-P41 HydrophobicContact CE1-CG 4.12Å; F21-K42 WeakPolarHBondContact O-CE 3.14Å; F21-Y53 AromaticContact CE1-CD2 3.87Å; F21-Y53 HydrophobicContact CE1-CD2 3.87Å; F21-Y53 HydrophobicContact CE1-CE2 4.22Å; F21-Y53 HydrophobicContact CE1-CG 4.09Å; F21-I55 HydrophobicContact CB-CD1 3.75Å; F21-I55 HydrophobicContact CD1-CD1 4.41Å; F21-I55 HydrophobicContact CD2-CD1 4.11Å; F21-I55 HydrophobicContact CG-CD1 3.84Å; F21-F89 HydrophobicContact CE2-CE2 4.09Å; F21-F89 AromaticContact CE2-CZ 3.84Å; F21-F89 HydrophobicContact CE2-CZ 3.84Å; F21-L100 HydrophobicContact CE1-CD1 4.04Å; F21-L100 HydrophobicContact CE1-CD2 4.41Å; F21-L100 HydrophobicContact CE2-CD1 4.13Å; F21-L100 HydrophobicContact CE2-CD2 4.01Å; F21-L100 HydrophobicContact CZ-CD1 3.81Å; F21-L100 HydrophobicContact CZ-CD2 3.56Å; F21-L100 HydrophobicContact CZ-CG 4.36Å
22D93.6Very high88.7Confident82 Ų8280.6 Ų80.644%0.43945%0.448SS..EExtended strand (participates in β ladder)trans-92.5120.1164.4-177.624.5000109.5A39 R40 K42D22-A39 CarbonylContact O-C 3.57Å; D22-A39 VanDerWaalsContact O-CA 3.27Å; D22-A39 WeakPolarHBondContact O-CA 3.43Å; D22-R40 PolarHBondContact N-O 2.96Å; D22-R40 PolarHBondContact O-N 3.25Å; D22-K42 HydrophobicContact CB-CG 4.29Å
23F93.5Very high87.8Confident30 Ų3077.5 Ų77.513%0.13242%0.417CS..  trans-146.38.9-178.961.6-91.5000112.5V17 F21 C26 Y37 A39 I55 W98V17-F23 HydrophobicContact CG1-CE1 4.3Å; V17-F23 HydrophobicContact CG1-CZ 4.24Å; V17-F23 HydrophobicContact CG2-CE1 4.03Å; F21-F23 HydrophobicContact CB-CD1 4.09Å; F21-F23 WeakPolarHBondContact O-CD1 3.43Å; F23-C26 PolarHBondContact O-N 3.39Å; F23-Y37 HydrophobicContact CD2-CD1 4.2Å; F23-Y37 HydrophobicContact CD2-CG 4.08Å; F23-A39 HydrophobicContact CB-CB 3.88Å; F23-I55 HydrophobicContact CD1-CD1 4Å; F23-I55 HydrophobicContact CG-CD1 4.43Å; F23-W98 AromaticContact CE2-CH2 3.9Å; F23-W98 HydrophobicContact CE2-CH2 3.9Å; F23-W98 AromaticContact CE2-CZ3 3.98Å; F23-W98 HydrophobicContact CE2-CZ3 3.98Å; F23-W98 HydrophobicContact CZ-CH2 4.18Å; F23-W98 HydrophobicContact CZ-CZ3 4.31Å
24E87.8Confident87.4Confident171 Ų17174 Ų7480%0.79939%0.389SS*.THydrogen-bonded Turntrans-66.5136-179.8-166.8173.8-179.900110C26E24-C26 PolarHBondContact O-N 2.94Å; E24-C26 PolarHBondContact O-SG 3.01Å
25G88.9Confident87.4Confident83 Ų8372.4 Ų72.486%0.85638%0.384SS*.THydrogen-bonded Turntrans67.4-3.7-175.300000115.7K27G25-K27 PolarHBondContact O-N 3.19Å
26C92Very high87.4Confident44 Ų4468.1 Ų68.130%0.29737%0.367SS..  trans-97.632.2-172.3-640000113.4F23 E24 I28 Y37 K38F23-C26 PolarHBondContact O-N 3.39Å; E24-C26 PolarHBondContact O-N 2.94Å; E24-C26 PolarHBondContact O-SG 3.01Å; C26-I28 PolarHBondContact O-N 3.47Å; C26-Y37 WeakPolarHBondContact O-CA 3.28Å; C26-K38 HydrophobicContact CB-CB 4.34Å; C26-K38 WeakPolarHBondContact CB-O 3.5Å; C26-K38 PolarHBondContact O-N 3.26Å
27K91.8Very high87.5Confident92 Ų9264.3 Ų64.340%0.435%0.353SS..EExtended strand (participates in β ladder)trans-69.7121.5178.9-172.9175.4-174.8164.80110.3G25 H35 Y37G25-K27 PolarHBondContact O-N 3.19Å; K27-H35 PolarHBondContact NZ-CD2 3.45Å; K27-H35 PolarHBondContact NZ-CE1 3.48Å; K27-H35 VanDerWaalsContact NZ-CE1 3.26Å; K27-H35 VanDerWaalsContact NZ-CG 3.27Å; K27-H35 PolarHBondContact NZ-ND1 2.94Å; K27-H35 VanDerWaalsContact NZ-ND1 3.13Å; K27-H35 PolarHBondContact NZ-NE2 2.9Å; K27-Y37 HydrophobicContact CB-CD1 3.85Å; K27-Y37 HydrophobicContact CB-CE1 3.79Å; K27-Y37 HydrophobicContact CD-CE1 4.31Å; K27-Y37 HydrophobicContact CG-CD1 4.31Å; K27-Y37 HydrophobicContact CG-CE1 4.04Å
28I90Very high87.6Confident89 Ų8966.3 Ų66.346%0.45636%0.361SS..EExtended strand (participates in β ladder)trans-109.6-18.4-178.158.7173.6000113.2C26 V36 K38 Y103C26-I28 PolarHBondContact O-N 3.47Å; I28-V36 HydrophobicContact CD1-CG1 3.89Å; I28-V36 HydrophobicContact CG1-CB 4.16Å; I28-V36 HydrophobicContact CG1-CG1 3.94Å; I28-V36 WeakPolarHBondContact CG1-O 3.42Å; I28-V36 PolarHBondContact N-O 3.03Å; I28-K38 HydrophobicContact CD1-CB 4.36Å; I28-K38 HydrophobicContact CG2-CB 3.83Å; I28-Y103 HydrophobicContact CD1-CD2 4.18Å; I28-Y103 HydrophobicContact CD1-CE2 3.63Å
29G82.9Confident87.7Confident25 Ų2562.9 Ų62.926%0.25835%0.345SS..EExtended strand (participates in β ladder)trans-152.5150.1-176.100000113.8V36G29-V36 PolarHBondContact N-O 3.21Å; G29-V36 VanDerWaalsContact N-O 3.16Å; G29-V36 PolarHBondContact O-N 3.4Å
30R81.3Confident87.7Confident203 Ų20363.8 Ų63.877%0.76634%0.342SS*.EExtended strand (participates in β ladder)trans-139131.2168.2178176.7-174.7-174.72.3108.3G34R30-G34 WeakPolarHBondContact CA-O 3.41Å
31G71.4Confident87.6Confident46 Ų4662.3 Ų62.347%0.47434%0.336SS..EExtended strand (participates in β ladder)trans-148.7-174.6174.400000111.1Y33 G34G31-Y33 PolarHBondContact O-N 2.7Å; G31-Y33 VanDerWaalsContact O-N 3.07Å; G31-G34 PolarHBondContact N-O 2.73Å; G31-G34 PolarHBondContact O-N 3.23Å; G31-G34 VanDerWaalsContact O-N 3.07Å
32T67.1Low87.4Confident90 Ų9067.3 Ų67.355%0.55236%0.357SS*.THydrogen-bonded Turntrans-55.7-25.8177.9-48.70000112.9P183T32-P183 HydrophobicContact CG2-CB 3.85Å; T32-P183 HydrophobicContact CG2-CG 4.44Å
33Y69Low86.8Confident26 Ų2670.3 Ų70.310%0.10237%0.373CS..THydrogen-bonded Turntrans-93-1-177.6-62.6-66.8000115.2G31 I58 E59 D164 F167 P183G31-Y33 PolarHBondContact O-N 2.7Å; G31-Y33 VanDerWaalsContact O-N 3.07Å; Y33-I58 WeakPolarHBondContact O-CA 3.35Å; Y33-E59 PolarHBondContact O-N 3.46Å; Y33-E59 VanDerWaalsContact O-N 3.09Å; Y33-D164 WeakPolarHBondContact CD2-OD1 3.08Å; Y33-D164 WeakPolarHBondContact CD2-OD2 2.8Å; Y33-D164 WeakPolarHBondContact CE2-OD2 3.08Å; Y33-F167 AromaticContact CE2-CD2 3.71Å; Y33-F167 HydrophobicContact CE2-CD2 3.71Å; Y33-F167 AromaticContact CE2-CE2 3.47Å; Y33-F167 HydrophobicContact CE2-CE2 3.47Å; Y33-F167 VanDerWaalsContact CE2-CE2 3.47Å; Y33-F167 HydrophobicContact CE2-CZ 4.26Å; Y33-F167 AromaticContact CZ-CD2 3.63Å; Y33-F167 AromaticContact CZ-CE2 3.51Å; Y33-F167 AromaticContact CZ-CZ 3.96Å; Y33-F167 VanDerWaalsContact OH-CD1 3.31Å; Y33-F167 WeakPolarHBondContact OH-CD1 3.41Å; Y33-F167 WeakPolarHBondContact OH-CD2 3.4Å; Y33-F167 VanDerWaalsContact OH-CE1 3.28Å; Y33-F167 WeakPolarHBondContact OH-CE1 3.35Å; Y33-F167 WeakPolarHBondContact OH-CE2 3.39Å; Y33-F167 WeakPolarHBondContact OH-CG 3.5Å; Y33-F167 WeakPolarHBondContact OH-CZ 3.38Å; Y33-P183 HydrophobicContact CE1-CG 4.17Å
34G83.8Confident85.4Confident4 Ų471.2 Ų71.24%0.04138%0.378CS..EExtended strand (participates in β ladder)trans125.2-137.5172.800000113.5R30 G31 L57R30-G34 WeakPolarHBondContact CA-O 3.41Å; G31-G34 PolarHBondContact N-O 2.73Å; G31-G34 PolarHBondContact O-N 3.23Å; G31-G34 VanDerWaalsContact O-N 3.07Å; G34-L57 VanDerWaalsContact CA-O 3.32Å; G34-L57 WeakPolarHBondContact CA-O 3.22Å
35H90.7Very high84.1Confident34 Ų3471.7 Ų71.716%0.15738%0.38CS..EExtended strand (participates in β ladder)trans-125.1137.5-172.1-59.9-27.3000110.8K27 Y37 K56 L57K27-H35 PolarHBondContact NZ-CD2 3.45Å; K27-H35 PolarHBondContact NZ-CE1 3.48Å; K27-H35 VanDerWaalsContact NZ-CE1 3.26Å; K27-H35 VanDerWaalsContact NZ-CG 3.27Å; K27-H35 PolarHBondContact NZ-ND1 2.94Å; K27-H35 VanDerWaalsContact NZ-ND1 3.13Å; K27-H35 PolarHBondContact NZ-NE2 2.9Å; H35-Y37 HydrophobicContact CB-CD2 4.47Å; H35-Y37 HydrophobicContact CB-CE2 3.56Å; H35-K56 CarbonylContact O-C 3.37Å; H35-K56 WeakPolarHBondContact O-CA 3.47Å; H35-L57 HydrophobicContact CB-CB 4.31Å; H35-L57 PolarHBondContact N-O 2.72Å; H35-L57 PolarHBondContact O-N 2.81Å
36V93.3Very high82.1Confident44 Ų4472.2 Ų72.227%0.26738%0.377SS..EExtended strand (participates in β ladder)trans-114130.9175.9-171.60000108.8I28 G29 A54 I55 K56I28-V36 HydrophobicContact CD1-CG1 3.89Å; I28-V36 HydrophobicContact CG1-CB 4.16Å; I28-V36 HydrophobicContact CG1-CG1 3.94Å; I28-V36 WeakPolarHBondContact CG1-O 3.42Å; I28-V36 PolarHBondContact N-O 3.03Å; G29-V36 PolarHBondContact N-O 3.21Å; G29-V36 VanDerWaalsContact N-O 3.16Å; G29-V36 PolarHBondContact O-N 3.4Å; V36-A54 HydrophobicContact CG1-CB 4.2Å; V36-I55 CarbonylContact C-O 3.54Å; V36-I55 WeakPolarHBondContact CA-O 3.23Å; V36-K56 HydrophobicContact CG2-CB 4.36Å; V36-K56 HydrophobicContact CG2-CG 4.33Å
37Y95.3Very high80.3Confident38 Ų3873.6 Ų73.615%0.14940%0.398CS..EExtended strand (participates in β ladder)trans-118.1141.8178.6-55-95.2000109.4F23 C26 K27 H35 A54 I55 L57 W98F23-Y37 HydrophobicContact CD2-CD1 4.2Å; F23-Y37 HydrophobicContact CD2-CG 4.08Å; C26-Y37 WeakPolarHBondContact O-CA 3.28Å; K27-Y37 HydrophobicContact CB-CD1 3.85Å; K27-Y37 HydrophobicContact CB-CE1 3.79Å; K27-Y37 HydrophobicContact CD-CE1 4.31Å; K27-Y37 HydrophobicContact CG-CD1 4.31Å; K27-Y37 HydrophobicContact CG-CE1 4.04Å; H35-Y37 HydrophobicContact CB-CD2 4.47Å; H35-Y37 HydrophobicContact CB-CE2 3.56Å; Y37-A54 CarbonylContact O-C 3.59Å; Y37-A54 WeakPolarHBondContact O-CA 3.44Å; Y37-I55 PolarHBondContact N-O 3.13Å; Y37-I55 PolarHBondContact O-N 3.37Å; Y37-L57 HydrophobicContact CE2-CB 4.11Å; Y37-W98 HydrophobicContact CD2-CZ3 4.05Å; Y37-W98 HydrophobicContact CE2-CH2 4.42Å; Y37-W98 AromaticContact CE2-CZ3 3.85Å; Y37-W98 HydrophobicContact CE2-CZ3 3.85Å
38K94.7Very high78.6Confident45 Ų4573.1 Ų73.120%0.19640%0.4CS..EExtended strand (participates in β ladder)trans-79.7132.6163.7-177174.1-176.61670108C26 I28 E52 Y53 Y103C26-K38 HydrophobicContact CB-CB 4.34Å; C26-K38 WeakPolarHBondContact CB-O 3.5Å; C26-K38 PolarHBondContact O-N 3.26Å; I28-K38 HydrophobicContact CD1-CB 4.36Å; I28-K38 HydrophobicContact CG2-CB 3.83Å; K38-E52 WeakPolarHBondContact CE-OE1 3.02Å; K38-E52 WeakPolarHBondContact CE-OE2 3.39Å; K38-E52 IonicContact NZ-OE1 2.69Å; K38-E52 PolarHBondContact NZ-OE1 3.37Å; K38-E52 IonicContact NZ-OE2 3.53Å; K38-E52 PolarHBondContact NZ-OE2 2.94Å; K38-Y53 WeakPolarHBondContact CA-O 3.48Å; K38-Y103 HydrophobicContact CB-CE2 4.3Å; K38-Y103 HydrophobicContact CD-CE1 4.14Å; K38-Y103 HydrophobicContact CD-CE2 4.04Å; K38-Y103 HydrophobicContact CG-CD2 4.19Å; K38-Y103 HydrophobicContact CG-CE2 4.09Å
39A94.4Very high76.9Confident1 Ų178.1 Ų78.11%0.00841%0.413CS..EExtended strand (participates in β ladder)trans-134.3149.6-171.900000112F21 D22 F23 Y53 I55F21-A39 HydrophobicContact CB-CB 4.22Å; F21-A39 HydrophobicContact CD1-CB 4.32Å; D22-A39 CarbonylContact O-C 3.57Å; D22-A39 VanDerWaalsContact O-CA 3.27Å; D22-A39 WeakPolarHBondContact O-CA 3.43Å; F23-A39 HydrophobicContact CB-CB 3.88Å; A39-Y53 PolarHBondContact N-O 3.45Å; A39-Y53 PolarHBondContact O-N 3.16Å; A39-I55 HydrophobicContact CB-CB 4.47Å; A39-I55 HydrophobicContact CB-CD1 3.28Å; A39-I55 HydrophobicContact CB-CG1 3.64Å
40R92.8Very high76.2Confident115 Ų11586.2 Ų86.243%0.43444%0.441SS..EExtended strand (participates in β ladder)trans-125.3142.5171-63.6-170.7-175.11023.7110.3F21 D22 E52F21-R40 CarbonylContact C-O 3.51Å; F21-R40 VanDerWaalsContact CA-O 3.28Å; F21-R40 WeakPolarHBondContact CA-O 3.16Å; D22-R40 PolarHBondContact N-O 2.96Å; D22-R40 PolarHBondContact O-N 3.25Å; R40-E52 IonicContact CZ-OE1 3.55Å; R40-E52 IonicContact NE-OE1 3.47Å; R40-E52 PolarHBondContact NE-OE1 2.85Å; R40-E52 IonicContact NH2-OE1 2.81Å; R40-E52 PolarHBondContact NH2-OE1 2.89Å
41P91.7Very high76.3Confident29 Ų2980.1 Ų80.119%0.18842%0.42CS..EExtended strand (participates in β ladder)trans-58.8142.5173.5-18.329.3000111.7L20 F21 E44 Y53L20-P41 CarbonylContact O-C 3.46Å; L20-P41 WeakPolarHBondContact O-CA 3.36Å; F21-P41 HydrophobicContact CD1-CG 4.45Å; F21-P41 HydrophobicContact CE1-CB 4.43Å; F21-P41 HydrophobicContact CE1-CG 4.12Å; P41-E44 HydrophobicContact CB-CG 3.91Å; P41-E44 WeakPolarHBondContact CD-OE1 3.43Å; P41-E44 HydrophobicContact CG-CG 4.38Å; P41-Y53 HydrophobicContact CG-CD2 4.22Å; P41-Y53 HydrophobicContact CG-CE2 3.83Å
42K90.2Very high77.2Confident122 Ų12280.2 Ų80.253%0.5341%0.408SS..SBendtrans-81.3-36.3177-75.4-176.9171.2-1770113.1E18 D19 L20 F21 D22E18-K42 WeakPolarHBondContact O-CE 3.12Å; E18-K42 PolarHBondContact O-NZ 2.57Å; D19-K42 WeakPolarHBondContact O-CD 3.39Å; L20-K42 PolarHBondContact O-N 3.33Å; F21-K42 WeakPolarHBondContact O-CE 3.14Å; D22-K42 HydrophobicContact CB-CG 4.29Å
43D80.1Confident78.5Confident145 Ų14577.3 Ų77.378%0.77539%0.387SS*.  trans-10481.4-178.5-167.58.9000109.8
44E64.4Low79.7Confident50 Ų5076.7 Ų76.723%0.23439%0.388CS..  trans-101.1105.2175.2-70.2-179.5162.700109.5P41 A46 R49P41-E44 HydrophobicContact CB-CG 3.91Å; P41-E44 WeakPolarHBondContact CD-OE1 3.43Å; P41-E44 HydrophobicContact CG-CG 4.38Å; E44-A46 PolarHBondContact O-N 3.04Å; E44-R49 WeakPolarHBondContact OE2-CA 3.44Å; E44-R49 WeakPolarHBondContact OE2-CG 3.39Å
45Q60.1Low80.3Confident181 Ų18176.5 Ų76.585%0.84639%0.386SS*.  trans-61.288.4160.8-69.2-169.57.900109.2G47Q45-G47 PolarHBondContact O-N 3.28Å
46A47.6Very low80.4Confident94 Ų9475.8 Ų75.878%0.77738%0.382SS*.SBendtrans41.9-2.3159.300000121.6E44E44-A46 PolarHBondContact O-N 3.04Å
47G54.2Low80.4Confident72 Ų7274.5 Ų74.574%0.74237%0.373SS*.SBendtrans-127.9-20.8-173.200000115.8Q45Q45-G47 PolarHBondContact O-N 3.28Å
48D56.2Low80.1Confident83 Ų8373.3 Ų73.344%0.44437%0.37SS..  trans-103.115.5-171.1-14712.8000114.6K50 K51D48-K50 PolarHBondContact O-N 2.97Å; D48-K51 PolarHBondContact O-N 3.38Å
49R54.4Low79.5Confident193 Ų19376 Ų7673%0.72838%0.383SS*.THydrogen-bonded Turntrans-53.32.3-179.8-79-176.9-174.3-179.44.6117.1E44E44-R49 WeakPolarHBondContact OE2-CA 3.44Å; E44-R49 WeakPolarHBondContact OE2-CG 3.39Å
50K66.8Low79.1Confident196 Ų19677.5 Ų77.585%0.85240%0.399SS*.THydrogen-bonded Turntrans-111.7-9.5179.7-65.1-173.9179.8-179.10113.2D48 E52D48-K50 PolarHBondContact O-N 2.97Å; K50-E52 PolarHBondContact O-N 3.37Å
51K83.7Confident78.6Confident75 Ų7576.5 Ų76.533%0.32641%0.406SS..  trans-85.8110.7-174.1-161.8168.7-176.9175.90111.5D48 Y53D48-K51 PolarHBondContact O-N 3.38Å; K51-Y53 HydrophobicContact CB-CE2 4.28Å; K51-Y53 HydrophobicContact CD-CE2 4.01Å; K51-Y53 WeakPolarHBondContact CD-OH 3.36Å; K51-Y53 WeakPolarHBondContact CE-OH 3.48Å; K51-Y53 HydrophobicContact CG-CD2 4.48Å; K51-Y53 HydrophobicContact CG-CE2 3.77Å
52E91.5Very high78.3Confident48 Ų4875.9 Ų75.922%0.22441%0.405CS..  trans-98.2143.6177.6-58.3-177136.700109.8K38 R40 K50 Y103K38-E52 WeakPolarHBondContact CE-OE1 3.02Å; K38-E52 WeakPolarHBondContact CE-OE2 3.39Å; K38-E52 IonicContact NZ-OE1 2.69Å; K38-E52 PolarHBondContact NZ-OE1 3.37Å; K38-E52 IonicContact NZ-OE2 3.53Å; K38-E52 PolarHBondContact NZ-OE2 2.94Å; R40-E52 IonicContact CZ-OE1 3.55Å; R40-E52 IonicContact NE-OE1 3.47Å; R40-E52 PolarHBondContact NE-OE1 2.85Å; R40-E52 IonicContact NH2-OE1 2.81Å; R40-E52 PolarHBondContact NH2-OE1 2.89Å; K50-E52 PolarHBondContact O-N 3.37Å; E52-Y103 VanDerWaalsContact C-CB 3.43Å; E52-Y103 HydrophobicContact CB-CD1 3.86Å; E52-Y103 HydrophobicContact CB-CG 4.06Å; E52-Y103 WeakPolarHBondContact O-CB 3.34Å; E52-Y103 PolarHBondContact O-N 3.26Å
53Y93.9Very high77.9Confident29 Ų2975 Ų7511%0.11441%0.405CS..EExtended strand (participates in β ladder)trans-120.2153.9179.1-70.4-95.6000110.9F21 K38 A39 P41 K51 H86 L100 F101F21-Y53 AromaticContact CE1-CD2 3.87Å; F21-Y53 HydrophobicContact CE1-CD2 3.87Å; F21-Y53 HydrophobicContact CE1-CE2 4.22Å; F21-Y53 HydrophobicContact CE1-CG 4.09Å; K38-Y53 WeakPolarHBondContact CA-O 3.48Å; A39-Y53 PolarHBondContact N-O 3.45Å; A39-Y53 PolarHBondContact O-N 3.16Å; P41-Y53 HydrophobicContact CG-CD2 4.22Å; P41-Y53 HydrophobicContact CG-CE2 3.83Å; K51-Y53 HydrophobicContact CB-CE2 4.28Å; K51-Y53 HydrophobicContact CD-CE2 4.01Å; K51-Y53 WeakPolarHBondContact CD-OH 3.36Å; K51-Y53 WeakPolarHBondContact CE-OH 3.48Å; K51-Y53 HydrophobicContact CG-CD2 4.48Å; K51-Y53 HydrophobicContact CG-CE2 3.77Å; Y53-H86 AromaticContact CE1-ND1 3.73Å; Y53-L100 HydrophobicContact CD1-CD1 3.69Å; Y53-L100 HydrophobicContact CD1-CD2 4.07Å; Y53-L100 HydrophobicContact CD1-CG 3.82Å; Y53-L100 HydrophobicContact CE1-CD2 4.22Å; Y53-L100 HydrophobicContact CE1-CG 4.41Å; Y53-L100 HydrophobicContact CG-CD1 3.9Å; Y53-F101 WeakPolarHBondContact CA-O 3.33Å; Y53-F101 WeakPolarHBondContact CD1-O 3.36Å
54A94.7Very high78Confident13 Ų1370.5 Ų70.511%0.10739%0.385CS..EExtended strand (participates in β ladder)trans-103.5124.416600000109V36 Y37 F101 Y103V36-A54 HydrophobicContact CG1-CB 4.2Å; Y37-A54 CarbonylContact O-C 3.59Å; Y37-A54 WeakPolarHBondContact O-CA 3.44Å; A54-F101 HydrophobicContact CB-CB 4.31Å; A54-F101 PolarHBondContact N-O 3.5Å; A54-F101 PolarHBondContact O-N 2.88Å; A54-Y103 HydrophobicContact CB-CD2 4.42Å
55I94.8Very high78.5Confident0 Ų074.7 Ų74.70%041%0.406CS..EExtended strand (participates in β ladder)trans-108.6114.5175.9-66.3179.2000108.3V17 F21 F23 V36 Y37 A39 W98 L99 L100V17-I55 HydrophobicContact CG2-CD1 3.7Å; V17-I55 HydrophobicContact CG2-CG2 4.18Å; F21-I55 HydrophobicContact CB-CD1 3.75Å; F21-I55 HydrophobicContact CD1-CD1 4.41Å; F21-I55 HydrophobicContact CD2-CD1 4.11Å; F21-I55 HydrophobicContact CG-CD1 3.84Å; F23-I55 HydrophobicContact CD1-CD1 4Å; F23-I55 HydrophobicContact CG-CD1 4.43Å; V36-I55 CarbonylContact C-O 3.54Å; V36-I55 WeakPolarHBondContact CA-O 3.23Å; Y37-I55 PolarHBondContact N-O 3.13Å; Y37-I55 PolarHBondContact O-N 3.37Å; A39-I55 HydrophobicContact CB-CB 4.47Å; A39-I55 HydrophobicContact CB-CD1 3.28Å; A39-I55 HydrophobicContact CB-CG1 3.64Å; I55-W98 HydrophobicContact CG2-CB 4.4Å; I55-W98 HydrophobicContact CG2-CD2 4.39Å; I55-W98 HydrophobicContact CG2-CE3 3.46Å; I55-W98 VanDerWaalsContact CG2-CE3 3.46Å; I55-W98 HydrophobicContact CG2-CZ3 4.05Å; I55-L99 CarbonylContact C-O 3.5Å; I55-L99 WeakPolarHBondContact CA-O 3.36Å; I55-L100 HydrophobicContact CD1-CD1 4.19Å; I55-L100 HydrophobicContact CG1-CD1 3.61Å
56K92.9Very high79.2Confident18 Ų1867.5 Ų67.58%0.07838%0.376CS..EExtended strand (participates in β ladder)trans-96.5113.3174.8-179.8178.1173.9-178.10109.6H35 V36 E70 W98 L99 F101 D164H35-K56 CarbonylContact O-C 3.37Å; H35-K56 WeakPolarHBondContact O-CA 3.47Å; V36-K56 HydrophobicContact CG2-CB 4.36Å; V36-K56 HydrophobicContact CG2-CG 4.33Å; K56-E70 VanDerWaalsContact NZ-CD 3.33Å; K56-E70 IonicContact NZ-OE1 3.75Å; K56-E70 PolarHBondContact NZ-OE1 2.79Å; K56-E70 IonicContact NZ-OE2 3.91Å; K56-E70 PolarHBondContact NZ-OE2 3.37Å; K56-E70 VanDerWaalsContact NZ-OE2 3.12Å; K56-W98 CarbonylContact O-C 3.53Å; K56-W98 WeakPolarHBondContact O-CA 3.33Å; K56-L99 HydrophobicContact CB-CB 4.33Å; K56-L99 PolarHBondContact N-O 2.9Å; K56-L99 PolarHBondContact O-N 2.8Å; K56-F101 HydrophobicContact CB-CD2 4.47Å; K56-F101 HydrophobicContact CB-CE2 4Å; K56-F101 HydrophobicContact CD-CE2 4.47Å; K56-D164 IonicContact NZ-OD1 2.88Å; K56-D164 PolarHBondContact NZ-OD1 3.14Å
57L93Very high80.8Confident17 Ų1763 Ų639%0.08934%0.339CS..EExtended strand (participates in β ladder)trans-79.7118.1163.9178.256.3000108.8G34 H35 Y37 K96 W98G34-L57 VanDerWaalsContact CA-O 3.32Å; G34-L57 WeakPolarHBondContact CA-O 3.22Å; H35-L57 HydrophobicContact CB-CB 4.31Å; H35-L57 PolarHBondContact N-O 2.72Å; H35-L57 PolarHBondContact O-N 2.81Å; Y37-L57 HydrophobicContact CE2-CB 4.11Å; L57-K96 HydrophobicContact CD1-CB 3.8Å; L57-K96 HydrophobicContact CD1-CD 3.93Å; L57-K96 HydrophobicContact CD1-CG 4.07Å; L57-W98 HydrophobicContact CB-CD2 4.33Å; L57-W98 HydrophobicContact CB-CE3 3.66Å; L57-W98 HydrophobicContact CB-CH2 4.14Å; L57-W98 HydrophobicContact CB-CZ3 3.59Å; L57-W98 HydrophobicContact CD1-CD2 3.74Å; L57-W98 HydrophobicContact CD1-CE3 3.93Å; L57-W98 HydrophobicContact CD1-CG 4.39Å; L57-W98 HydrophobicContact CD1-CH2 4.01Å; L57-W98 HydrophobicContact CD1-CZ2 3.75Å; L57-W98 HydrophobicContact CD1-CZ3 4.1Å; L57-W98 HydrophobicContact CD2-CH2 3.83Å; L57-W98 HydrophobicContact CD2-CZ2 4.19Å; L57-W98 HydrophobicContact CD2-CZ3 4.15Å; L57-W98 HydrophobicContact CG-CE3 4.3Å; L57-W98 HydrophobicContact CG-CH2 4.21Å; L57-W98 HydrophobicContact CG-CZ2 4.43Å; L57-W98 HydrophobicContact CG-CZ3 4.16Å
58I88.9Confident82.3Confident13 Ų1362.7 Ų62.77%0.06733%0.325CS..EExtended strand (participates in β ladder)trans-71.5136.2176.3-57.2-176.8000110Y33 A67 V97 L99Y33-I58 WeakPolarHBondContact O-CA 3.35Å; I58-A67 HydrophobicContact CD1-CB 3.57Å; I58-A67 HydrophobicContact CG2-CB 4.06Å; I58-V97 HydrophobicContact CB-CB 4.35Å; I58-V97 HydrophobicContact CD1-CB 4.01Å; I58-V97 HydrophobicContact CD1-CG1 3.64Å; I58-V97 HydrophobicContact CG1-CB 4.34Å; I58-V97 HydrophobicContact CG1-CG1 4.33Å; I58-V97 PolarHBondContact N-O 3.27Å; I58-L99 HydrophobicContact CD1-CD1 3.94Å; I58-L99 HydrophobicContact CD1-CD2 4.28Å; I58-L99 HydrophobicContact CD1-CG 4.02Å; I58-L99 HydrophobicContact CG1-CD1 4.29Å; I58-L99 HydrophobicContact CG1-CG 4.24Å
59E84Confident83.6Confident101 Ų10160.6 Ų60.647%0.47231%0.31SS..SBendtrans-60.8144.1176.3-166.960.4-131.100112.3Y33Y33-E59 PolarHBondContact O-N 3.46Å; Y33-E59 VanDerWaalsContact O-N 3.09Å
60G84.4Confident85.1Confident34 Ų3451.6 Ų51.635%0.35128%0.277SS..SBendtrans86.1-158.9-179.500000114.7K96G60-K96 WeakPolarHBondContact O-CD 3.37Å; G60-K96 PolarHBondContact O-NZ 2.69Å
61T83.9Confident86.2Confident93 Ų9343.1 Ų43.157%0.57124%0.24SC*.SBendtrans-133.8142.8-179.258.10000110.5
62G85.1Confident86.5Confident17 Ų1742 Ų4218%0.17525%0.246CC..SBendtrans77.5-173.3-174.900000112.8S64 R95G62-S64 PolarHBondContact O-N 2.91Å; G62-R95 PolarHBondContact N-O 3.18Å
63I81.9Confident86.5Confident102 Ų10240.5 Ų40.552%0.52324%0.239SC..  trans-92.396177.6-55.1176.6000107.6A67 C68 V97I63-A67 HydrophobicContact CG2-CB 4.24Å; I63-C68 HydrophobicContact CG2-CB 3.68Å; I63-V97 HydrophobicContact CG1-CG2 4.13Å
64S80.9Confident86.4Confident52 Ų5239.3 Ų39.336%0.36423%0.234SC..  trans-64.7159.6171.371.10000110.7G62 S66 A67 C68G62-S64 PolarHBondContact O-N 2.91Å; S64-S66 PolarHBondContact O-N 2.85Å; S64-A67 WeakPolarHBondContact O-CB 3.4Å; S64-A67 PolarHBondContact O-N 3.06Å; S64-A67 WeakPolarHBondContact OG-CB 3.36Å; S64-A67 PolarHBondContact OG-N 2.83Å; S64-A67 VanDerWaalsContact OG-N 3.08Å; S64-C68 PolarHBondContact O-N 3.47Å
65M76.2Confident86.3Confident137 Ų13746.7 Ų46.768%0.67526%0.26SS*.Hα-helixtrans-56.4-33.1174.5-75.5-60-64.900112.2R69M65-R69 VanDerWaalsContact O-CB 3.27Å; M65-R69 WeakPolarHBondContact O-CB 3.28Å; M65-R69 PolarHBondContact O-N 3.25Å; M65-R69 VanDerWaalsContact O-N 3.14Å
66S75Confident86.2Confident30 Ų3054.2 Ų54.221%0.2129%0.294CS..Hα-helixtrans-69.2-44.5174.5-63.30000112.2S64 R69 E70S64-S66 PolarHBondContact O-N 2.85Å; S66-R69 PolarHBondContact O-N 2.84Å; S66-R69 PolarHBondContact OG-NH2 2.86Å; S66-R69 VanDerWaalsContact OG-NH2 3.14Å; S66-E70 WeakPolarHBondContact O-CB 3.42Å; S66-E70 PolarHBondContact O-N 2.87Å
67A81.2Confident86.3Confident1 Ų153.9 Ų53.91%0.00829%0.294CS..Hα-helixtrans-61.4-47.5175.600000112.2I58 I63 S64 R69 E70 I71I58-A67 HydrophobicContact CD1-CB 3.57Å; I58-A67 HydrophobicContact CG2-CB 4.06Å; I63-A67 HydrophobicContact CG2-CB 4.24Å; S64-A67 WeakPolarHBondContact O-CB 3.4Å; S64-A67 PolarHBondContact O-N 3.06Å; S64-A67 WeakPolarHBondContact OG-CB 3.36Å; S64-A67 PolarHBondContact OG-N 2.83Å; S64-A67 VanDerWaalsContact OG-N 3.08Å; A67-R69 VanDerWaalsContact C-N 3.31Å; A67-R69 PolarHBondContact O-N 3.23Å; A67-E70 PolarHBondContact O-N 3.02Å; A67-I71 WeakPolarHBondContact O-CB 3.36Å; A67-I71 WeakPolarHBondContact O-CD1 3.33Å; A67-I71 VanDerWaalsContact O-CG1 3.27Å; A67-I71 WeakPolarHBondContact O-CG1 3.49Å; A67-I71 PolarHBondContact O-N 2.81Å
68C85.3Confident86.4Confident65 Ų6561.6 Ų61.644%0.43933%0.326SS..Hα-helixtrans-56.9-47.4178.7-172.30000111I63 S64 I71 A72I63-C68 HydrophobicContact CG2-CB 3.68Å; S64-C68 PolarHBondContact O-N 3.47Å; C68-I71 PolarHBondContact O-N 3.26Å; C68-A72 VanDerWaalsContact O-CB 3.26Å; C68-A72 WeakPolarHBondContact O-CB 3.34Å; C68-A72 PolarHBondContact O-N 2.71Å
69R84Confident86.8Confident39 Ų3962.4 Ų62.415%0.14733%0.33CS..Hα-helixtrans-66.9-44.3179.8180-179.259.9-117.6-4.8112.6M65 S66 A67 I71 A72 L73 G166 A168 R169M65-R69 VanDerWaalsContact O-CB 3.27Å; M65-R69 WeakPolarHBondContact O-CB 3.28Å; M65-R69 PolarHBondContact O-N 3.25Å; M65-R69 VanDerWaalsContact O-N 3.14Å; S66-R69 PolarHBondContact O-N 2.84Å; S66-R69 PolarHBondContact OG-NH2 2.86Å; S66-R69 VanDerWaalsContact OG-NH2 3.14Å; A67-R69 VanDerWaalsContact C-N 3.31Å; A67-R69 PolarHBondContact O-N 3.23Å; R69-I71 VanDerWaalsContact C-N 3.33Å; R69-A72 PolarHBondContact O-N 2.93Å; R69-L73 HydrophobicContact CG-CD1 3.99Å; R69-L73 HydrophobicContact CG-CG 4.42Å; R69-L73 WeakPolarHBondContact O-CB 3.49Å; R69-L73 WeakPolarHBondContact O-CG 3.33Å; R69-L73 PolarHBondContact O-N 3.36Å; R69-G166 PolarHBondContact NH2-O 3.05Å; R69-A168 VanDerWaalsContact CD-O 3.24Å; R69-A168 WeakPolarHBondContact CD-O 3.46Å; R69-A168 PolarHBondContact NE-O 3.08Å; R69-A168 VanDerWaalsContact NE-O 3.1Å; R69-R169 VanDerWaalsContact NH2-CZ 3.31Å
70E84.9Confident87.4Confident4 Ų461.1 Ų61.12%0.01933%0.331CS..Hα-helixtrans-59.2-46.5177.1179.9169-164.200110.4K56 S66 A67 L74 L99 M165K56-E70 VanDerWaalsContact NZ-CD 3.33Å; K56-E70 IonicContact NZ-OE1 3.75Å; K56-E70 PolarHBondContact NZ-OE1 2.79Å; K56-E70 IonicContact NZ-OE2 3.91Å; K56-E70 PolarHBondContact NZ-OE2 3.37Å; K56-E70 VanDerWaalsContact NZ-OE2 3.12Å; S66-E70 WeakPolarHBondContact O-CB 3.42Å; S66-E70 PolarHBondContact O-N 2.87Å; A67-E70 PolarHBondContact O-N 3.02Å; E70-L74 HydrophobicContact CG-CD1 3.62Å; E70-L74 HydrophobicContact CG-CG 4.46Å; E70-L74 VanDerWaalsContact O-CB 3.29Å; E70-L74 WeakPolarHBondContact O-CB 3.32Å; E70-L74 WeakPolarHBondContact O-CD1 3.4Å; E70-L74 VanDerWaalsContact O-CG 3.23Å; E70-L74 WeakPolarHBondContact O-CG 3.36Å; E70-L74 PolarHBondContact O-N 2.88Å; E70-L99 HydrophobicContact CG-CD1 4.2Å; E70-M165 HydrophobicContact CG-CB 4.35Å
71I89.6Confident88Confident17 Ų1759.7 Ų59.79%0.08732%0.315CS..Hα-helixtrans-62.7-47.1175.9-67164.2000111.4A67 C68 R69 L73 L74 R75 L85 V88 V97 L99A67-I71 WeakPolarHBondContact O-CB 3.36Å; A67-I71 WeakPolarHBondContact O-CD1 3.33Å; A67-I71 VanDerWaalsContact O-CG1 3.27Å; A67-I71 WeakPolarHBondContact O-CG1 3.49Å; A67-I71 PolarHBondContact O-N 2.81Å; C68-I71 PolarHBondContact O-N 3.26Å; R69-I71 VanDerWaalsContact C-N 3.33Å; I71-L73 PolarHBondContact O-N 3.23Å; I71-L74 PolarHBondContact O-N 3.04Å; I71-R75 HydrophobicContact CG2-CG 4.39Å; I71-R75 WeakPolarHBondContact O-CB 3.5Å; I71-R75 VanDerWaalsContact O-CG 3.27Å; I71-R75 WeakPolarHBondContact O-CG 3.42Å; I71-R75 PolarHBondContact O-N 3.2Å; I71-L85 HydrophobicContact CG2-CD2 4.44Å; I71-V88 HydrophobicContact CD1-CG1 4.08Å; I71-V88 HydrophobicContact CG1-CG2 4.42Å; I71-V88 HydrophobicContact CG2-CG2 4.15Å; I71-V97 HydrophobicContact CD1-CG1 3.94Å; I71-L99 HydrophobicContact CD1-CD2 4Å; I71-L99 HydrophobicContact CG1-CD2 3.62Å
72A90.8Very high88.6Confident53 Ų5355.3 Ų55.344%0.43829%0.288SS..Hα-helixtrans-62-43.8-177.700000111.9C68 R69C68-A72 VanDerWaalsContact O-CB 3.26Å; C68-A72 WeakPolarHBondContact O-CB 3.34Å; C68-A72 PolarHBondContact O-N 2.71Å; R69-A72 PolarHBondContact O-N 2.93Å
73L90.5Very high89.1Confident16 Ų1655.1 Ų55.18%0.08428%0.283CS..Hα-helixtrans-66.8-51.3176.9-71.1174.8000111.3R69 I71 R75 E76 L77 V142 A168 L170R69-L73 HydrophobicContact CG-CD1 3.99Å; R69-L73 HydrophobicContact CG-CG 4.42Å; R69-L73 WeakPolarHBondContact O-CB 3.49Å; R69-L73 WeakPolarHBondContact O-CG 3.33Å; R69-L73 PolarHBondContact O-N 3.36Å; I71-L73 PolarHBondContact O-N 3.23Å; L73-R75 PolarHBondContact O-N 3.06Å; L73-E76 PolarHBondContact O-N 2.98Å; L73-L77 HydrophobicContact CB-CD1 4.25Å; L73-L77 VanDerWaalsContact O-CG 3.24Å; L73-L77 WeakPolarHBondContact O-CG 3.28Å; L73-L77 PolarHBondContact O-N 2.99Å; L73-V142 HydrophobicContact CD1-CG1 4.49Å; L73-V142 HydrophobicContact CD2-CG2 3.88Å; L73-A168 HydrophobicContact CD1-CB 3.57Å; L73-L170 HydrophobicContact CD2-CD2 3.88Å; L73-L170 HydrophobicContact CD2-CG 3.99Å
74L92.4Very high89.6Confident4 Ų451.8 Ų51.82%0.02127%0.269CS..Hα-helixtrans-66-20.1-175.5-71.7170.1000114E70 I71 V83 L85 F101 M165E70-L74 HydrophobicContact CG-CD1 3.62Å; E70-L74 HydrophobicContact CG-CG 4.46Å; E70-L74 VanDerWaalsContact O-CB 3.29Å; E70-L74 WeakPolarHBondContact O-CB 3.32Å; E70-L74 WeakPolarHBondContact O-CD1 3.4Å; E70-L74 VanDerWaalsContact O-CG 3.23Å; E70-L74 WeakPolarHBondContact O-CG 3.36Å; E70-L74 PolarHBondContact O-N 2.88Å; I71-L74 PolarHBondContact O-N 3.04Å; L74-V83 HydrophobicContact CD2-CG2 3.84Å; L74-L85 HydrophobicContact CB-CB 3.77Å; L74-L85 HydrophobicContact CB-CD2 3.99Å; L74-L85 HydrophobicContact CB-CG 4.5Å; L74-F101 HydrophobicContact CD1-CE1 3.83Å; L74-F101 HydrophobicContact CD1-CZ 3.86Å; L74-M165 HydrophobicContact CD2-CB 4.42Å; L74-M165 HydrophobicContact CD2-CG 3.77Å; L74-M165 HydrophobicContact CG-CB 4.43Å; L74-M165 HydrophobicContact CG-CG 4.28Å
75R92.9Very high90.3Very high168 Ų16850.8 Ų50.863%0.63426%0.259SS*.Hα-helixtrans-70.9-32.9172.3-81.4-178.8172.4-174.2-2.6113.1I71 L73 L85I71-R75 HydrophobicContact CG2-CG 4.39Å; I71-R75 WeakPolarHBondContact O-CB 3.5Å; I71-R75 VanDerWaalsContact O-CG 3.27Å; I71-R75 WeakPolarHBondContact O-CG 3.42Å; I71-R75 PolarHBondContact O-N 3.2Å; L73-R75 PolarHBondContact O-N 3.06Å; R75-L85 HydrophobicContact CG-CD2 4.11Å
76E93.1Very high91.1Very high157 Ų15748 Ų4873%0.73424%0.244SC*.Hα-helixtrans-92.7-25.8-178.3-58.2-55.6132.200112.5L73L73-E76 PolarHBondContact O-N 2.98Å
77L94.4Very high92Very high12 Ų1247.3 Ų47.36%0.06324%0.242CC..  trans-78.5124.4-177.5-65.3171.8000111.8L73 V82 Y136 L137 N140 V142 M165L73-L77 HydrophobicContact CB-CD1 4.25Å; L73-L77 VanDerWaalsContact O-CG 3.24Å; L73-L77 WeakPolarHBondContact O-CG 3.28Å; L73-L77 PolarHBondContact O-N 2.99Å; L77-V82 HydrophobicContact CB-CG1 4.48Å; L77-Y136 WeakPolarHBondContact CA-OH 3.03Å; L77-Y136 HydrophobicContact CB-CE1 4.2Å; L77-Y136 HydrophobicContact CD2-CD1 4.46Å; L77-Y136 HydrophobicContact CD2-CE1 3.6Å; L77-Y136 HydrophobicContact CG-CE1 4.49Å; L77-L137 HydrophobicContact CD1-CD2 3.74Å; L77-L137 HydrophobicContact CD2-CD2 3.93Å; L77-L137 HydrophobicContact CG-CD2 4.44Å; L77-N140 HydrophobicContact CD2-CB 4.25Å; L77-V142 HydrophobicContact CD2-CG2 4.19Å; L77-M165 HydrophobicContact CD1-CE 4.31Å
78K95.8Very high92.7Very high178 Ų17849.1 Ų49.177%0.77425%0.253SS*.  trans-140.199.9177.7-172.1175.2-178.1176.60110.6Y136K78-Y136 PolarHBondContact N-OH 3.38Å; K78-Y136 PolarHBondContact O-OH 3.48Å
79H96.8Very high93.1Very high30 Ų3046.8 Ų46.814%0.13924%0.236CC..  trans-150.1143.7178.1-170.3-98.2000110.8N81 V82 D132 Y136H79-N81 PolarHBondContact ND1-N 3.29Å; H79-N81 PolarHBondContact O-N 2.79Å; H79-N81 VanDerWaalsContact O-N 3.15Å; H79-V82 HydrophobicContact CB-CB 4.14Å; H79-V82 HydrophobicContact CB-CG2 3.99Å; H79-V82 PolarHBondContact O-N 3.25Å; H79-V82 VanDerWaalsContact O-N 3.14Å; H79-V82 VanDerWaalsContact O-O 3.14Å; H79-D132 IonicContact CE1-OD1 3.95Å; H79-D132 IonicContact CE1-OD2 2.83Å; H79-D132 IonicContact NE2-OD1 3.97Å; H79-D132 IonicContact NE2-OD2 3.97Å; H79-Y136 HydrophobicContact CB-CD1 3.43Å; H79-Y136 VanDerWaalsContact CB-CD1 3.43Å; H79-Y136 HydrophobicContact CB-CD2 4.05Å; H79-Y136 HydrophobicContact CB-CE1 3.66Å; H79-Y136 HydrophobicContact CB-CE2 4.27Å; H79-Y136 HydrophobicContact CB-CG 3.64Å; H79-Y136 AromaticContact CD2-CD2 3.7Å; H79-Y136 AromaticContact CD2-CG 3.6Å; H79-Y136 AromaticContact CG-CD1 3.89Å; H79-Y136 AromaticContact CG-CG 3.64Å
80P95.9Very high93.6Very high75 Ų7548 Ų4849%0.48725%0.245SC..THydrogen-bonded Turntrans-54.6-34.1178.1-27.335.8000113.6
81N97.2Very high93.9Very high4 Ų448.7 Ų48.72%0.02125%0.25CS..THydrogen-bonded Turntrans-98.217-178.5-54.7118.4000116.1H79 Q129 V160 I162H79-N81 PolarHBondContact ND1-N 3.29Å; H79-N81 PolarHBondContact O-N 2.79Å; H79-N81 VanDerWaalsContact O-N 3.15Å; N81-Q129 VanDerWaalsContact CB-O 3.3Å; N81-Q129 WeakPolarHBondContact CB-O 3.29Å; N81-Q129 PolarHBondContact ND2-OE1 3.06Å; N81-V160 WeakPolarHBondContact CA-O 3.13Å; N81-V160 PolarHBondContact ND2-O 3.45Å; N81-I162 WeakPolarHBondContact O-CG1 3.28Å; N81-I162 PolarHBondContact O-N 3.28Å
82V96.6Very high93.8Very high1 Ų153.5 Ų53.51%0.00627%0.272CS..BIsolated β-bridgetrans-125140172.5178.10000108.6L77 H79 S84 Y136 L137 M165L77-V82 HydrophobicContact CB-CG1 4.48Å; H79-V82 HydrophobicContact CB-CB 4.14Å; H79-V82 HydrophobicContact CB-CG2 3.99Å; H79-V82 PolarHBondContact O-N 3.25Å; H79-V82 VanDerWaalsContact O-N 3.14Å; H79-V82 VanDerWaalsContact O-O 3.14Å; V82-S84 PolarHBondContact O-N 2.75Å; V82-Y136 HydrophobicContact CG2-CD1 4.03Å; V82-L137 HydrophobicContact CG1-CD2 4.28Å; V82-L137 HydrophobicContact CG2-CD2 3.98Å; V82-L137 HydrophobicContact CG2-CG 4.14Å; V82-M165 HydrophobicContact CG1-CE 3.48Å; V82-M165 VanDerWaalsContact CG1-CE 3.48Å
83V94.8Very high93.7Very high12 Ų1256.4 Ų56.47%0.07329%0.289CS..  trans-57137.4175.8-68.30000111L74 F101 L153 K161 I162L74-V83 HydrophobicContact CD2-CG2 3.84Å; V83-F101 HydrophobicContact CB-CD1 4.27Å; V83-F101 HydrophobicContact CG2-CE1 4.3Å; V83-L153 HydrophobicContact CG1-CD1 3.78Å; V83-K161 HydrophobicContact CG1-CB 3.88Å; V83-K161 HydrophobicContact CG1-CD 4.43Å; V83-I162 WeakPolarHBondContact CG1-O 3.39Å; V83-I162 WeakPolarHBondContact CG2-O 3.47Å; V83-I162 PolarHBondContact N-O 2.83Å
84S93.7Very high93.8Very high33 Ų3359 Ų5923%0.23130%0.303CS..  trans-106126.7-178.6-53.40000109.3V82 H86 F101V82-S84 PolarHBondContact O-N 2.75Å; S84-H86 PolarHBondContact O-CD2 3.05Å; S84-H86 VanDerWaalsContact O-CD2 3.26Å; S84-H86 PolarHBondContact O-N 3.45Å; S84-F101 WeakPolarHBondContact O-CD1 3.32Å
85L94.8Very high93.7Very high30 Ų3066.4 Ų66.416%0.15733%0.331CS..EExtended strand (participates in β ladder)trans-79.3111.4176.9177.967.5000109.6I71 L74 R75 G87 V88 L99 F101I71-L85 HydrophobicContact CG2-CD2 4.44Å; L74-L85 HydrophobicContact CB-CB 3.77Å; L74-L85 HydrophobicContact CB-CD2 3.99Å; L74-L85 HydrophobicContact CB-CG 4.5Å; R75-L85 HydrophobicContact CG-CD2 4.11Å; L85-G87 WeakPolarHBondContact CD1-O 3.41Å; L85-V88 HydrophobicContact CD1-CG2 4.2Å; L85-V88 HydrophobicContact CD2-CG2 3.71Å; L85-V88 HydrophobicContact CG-CG2 4.21Å; L85-L99 HydrophobicContact CD1-CB 3.8Å; L85-L99 HydrophobicContact CD1-CD2 4.01Å; L85-L99 HydrophobicContact CD1-CG 4.34Å; L85-F101 HydrophobicContact CB-CE1 4.22Å; L85-F101 HydrophobicContact CD1-CE1 4Å; L85-F101 HydrophobicContact CD1-CZ 3.99Å
86H93.5Very high93.7Very high78 Ų7860.8 Ų60.836%0.36131%0.311SS..EExtended strand (participates in β ladder)trans-84.6-28.4-178-77.5-143.7000112.6Y53 S84 L100 E102Y53-H86 AromaticContact CE1-ND1 3.73Å; S84-H86 PolarHBondContact O-CD2 3.05Å; S84-H86 VanDerWaalsContact O-CD2 3.26Å; S84-H86 PolarHBondContact O-N 3.45Å; H86-L100 HydrophobicContact CB-CB 4.33Å; H86-L100 HydrophobicContact CB-CD2 3.95Å; H86-L100 HydrophobicContact CB-CG 4.04Å; H86-L100 WeakPolarHBondContact CB-O 3.39Å; H86-L100 PolarHBondContact N-O 3.04Å; H86-E102 WeakPolarHBondContact CE1-CG 3.2Å; H86-E102 IonicContact CE1-OE1 3.36Å; H86-E102 VanDerWaalsContact NE2-CG 3.28Å; H86-E102 WeakPolarHBondContact NE2-CG 3.34Å
87G93.7Very high93.7Very high16 Ų1653.5 Ų53.517%0.16528%0.277CS..EExtended strand (participates in β ladder)trans-167.7155.1-17600000112.5L85 L100L85-G87 WeakPolarHBondContact CD1-O 3.41Å; G87-L100 PolarHBondContact O-N 3.38Å
88V95Very high93.7Very high39 Ų3954.1 Ų54.124%0.23628%0.278CS..EExtended strand (participates in β ladder)trans-127.1120173.5-1780000107.8I71 L85 L90 V97 W98 L99I71-V88 HydrophobicContact CD1-CG1 4.08Å; I71-V88 HydrophobicContact CG1-CG2 4.42Å; I71-V88 HydrophobicContact CG2-CG2 4.15Å; L85-V88 HydrophobicContact CD1-CG2 4.2Å; L85-V88 HydrophobicContact CD2-CG2 3.71Å; L85-V88 HydrophobicContact CG-CG2 4.21Å; V88-L90 HydrophobicContact CG1-CD2 4.04Å; V88-L90 HydrophobicContact CG1-CG 4.4Å; V88-V97 HydrophobicContact CG1-CG1 4.31Å; V88-W98 CarbonylContact C-O 3.41Å; V88-W98 WeakPolarHBondContact CA-O 3.16Å; V88-L99 HydrophobicContact CG1-CD2 4.18Å; V88-L99 HydrophobicContact CG2-CD2 3.98Å
89F94.7Very high93.6Very high16 Ų1645.6 Ų45.67%0.0724%0.242CC..EExtended strand (participates in β ladder)trans-107.2125.3174.5-51.9-83.2000109.9Q15 V17 L20 F21 W98 L100Q15-F89 HydrophobicContact CB-CD1 4.43Å; Q15-F89 HydrophobicContact CB-CE1 4.18Å; V17-F89 HydrophobicContact CB-CB 4.04Å; V17-F89 HydrophobicContact CB-CD1 4.49Å; V17-F89 HydrophobicContact CB-CD2 3.91Å; V17-F89 HydrophobicContact CB-CG 3.89Å; V17-F89 HydrophobicContact CG2-CD2 3.92Å; V17-F89 HydrophobicContact CG2-CE2 4.27Å; V17-F89 HydrophobicContact CG2-CG 4.42Å; L20-F89 HydrophobicContact CD1-CE1 3.72Å; L20-F89 HydrophobicContact CD1-CZ 4.11Å; F21-F89 HydrophobicContact CE2-CE2 4.09Å; F21-F89 AromaticContact CE2-CZ 3.84Å; F21-F89 HydrophobicContact CE2-CZ 3.84Å; F89-W98 HydrophobicContact CB-CB 4.11Å; F89-W98 HydrophobicContact CD2-CB 4.36Å; F89-W98 PolarHBondContact N-O 3.12Å; F89-W98 PolarHBondContact O-N 3.1Å; F89-L100 HydrophobicContact CE2-CB 4.05Å; F89-L100 HydrophobicContact CE2-CD2 4.27Å; F89-L100 HydrophobicContact CZ-CD2 4.48Å
90L93.6Very high93.5Very high66 Ų6644.7 Ų44.735%0.34624%0.238SC..EExtended strand (participates in β ladder)trans-106.5106.9177.3-59.2179.6000108.3R14 V88 H92 V97R14-L90 PolarHBondContact NH1-O 3.2Å; V88-L90 HydrophobicContact CG1-CD2 4.04Å; V88-L90 HydrophobicContact CG1-CG 4.4Å; L90-H92 PolarHBondContact O-CD2 2.93Å; L90-V97 HydrophobicContact CD2-CB 4.38Å; L90-V97 HydrophobicContact CD2-CG1 4Å; L90-V97 HydrophobicContact CD2-CG2 3.9Å
91S92Very high93.5Very high18 Ų1842.1 Ų42.113%0.12622%0.219CC..  trans-84.5116.1173175.50000109S93 D94 R95 K96S91-S93 PolarHBondContact OG-OG 3Å; S91-D94 WeakPolarHBondContact CB-OD1 3.05Å; S91-D94 PolarHBondContact OG-OD1 2.91Å; S91-R95 CarbonylContact O-C 3.29Å; S91-R95 WeakPolarHBondContact O-CA 3.48Å; S91-R95 PolarHBondContact O-N 3.48Å; S91-K96 PolarHBondContact N-O 2.73Å; S91-K96 PolarHBondContact O-N 3.39Å
92H87.8Confident93.3Very high117 Ų11744.5 Ų44.554%0.54223%0.23SC..THydrogen-bonded Turntrans-83-25.2-175.4-82.2-134.3000113.1R14 L90R14-H92 VanDerWaalsContact CZ-NE2 3.32Å; R14-H92 PolarHBondContact NH1-CD2 2.97Å; R14-H92 PolarHBondContact NH1-NE2 3.42Å; R14-H92 PolarHBondContact NH2-CD2 2.77Å; R14-H92 PolarHBondContact NH2-CE1 2.85Å; R14-H92 PolarHBondContact NH2-NE2 2.92Å; L90-H92 PolarHBondContact O-CD2 2.93Å
93S88.9Confident93.1Very high114 Ų11446.3 Ų46.380%0.79724%0.237SC*.THydrogen-bonded Turntrans-68-46.5-17845.70000111.9S91S91-S93 PolarHBondContact OG-OG 3Å
94D91.4Very high93Very high72 Ų7246.4 Ų46.439%0.38524%0.239SC..THydrogen-bonded Turntrans-108.20.8-179.165.9-2.1000113.2S91 K96S91-D94 WeakPolarHBondContact CB-OD1 3.05Å; S91-D94 PolarHBondContact OG-OD1 2.91Å; D94-K96 HydrophobicContact CB-CG 4.17Å; D94-K96 PolarHBondContact O-N 2.84Å; D94-K96 WeakPolarHBondContact OD1-CB 3.37Å; D94-K96 WeakPolarHBondContact OD1-CG 3.23Å; D94-K96 PolarHBondContact OD1-N 2.78Å; D94-K96 WeakPolarHBondContact OD2-CG 3.43Å
95R91.9Very high92.7Very high158 Ų15848.7 Ų48.760%0.59625%0.246SC*.  trans58.230.5-178.6-55.7175.963.8-167.2-0.4112.6G62 S91G62-R95 PolarHBondContact N-O 3.18Å; S91-R95 CarbonylContact O-C 3.29Å; S91-R95 WeakPolarHBondContact O-CA 3.48Å; S91-R95 PolarHBondContact O-N 3.48Å
96K92.5Very high92.5Very high50 Ų5052.2 Ų52.222%0.21726%0.261CS..  trans-84.5150177.1-66.6-60.9-171.91720112.6L57 G60 S91 D94L57-K96 HydrophobicContact CD1-CB 3.8Å; L57-K96 HydrophobicContact CD1-CD 3.93Å; L57-K96 HydrophobicContact CD1-CG 4.07Å; G60-K96 WeakPolarHBondContact O-CD 3.37Å; G60-K96 PolarHBondContact O-NZ 2.69Å; S91-K96 PolarHBondContact N-O 2.73Å; S91-K96 PolarHBondContact O-N 3.39Å; D94-K96 HydrophobicContact CB-CG 4.17Å; D94-K96 PolarHBondContact O-N 2.84Å; D94-K96 WeakPolarHBondContact OD1-CB 3.37Å; D94-K96 WeakPolarHBondContact OD1-CG 3.23Å; D94-K96 PolarHBondContact OD1-N 2.78Å; D94-K96 WeakPolarHBondContact OD2-CG 3.43Å
97V92.9Very high92.4Very high4 Ų449.9 Ų49.92%0.02425%0.252CS..EExtended strand (participates in β ladder)trans-118.4123.8177.1-177.10000108.4I58 I63 I71 V88 L90 L99I58-V97 HydrophobicContact CB-CB 4.35Å; I58-V97 HydrophobicContact CD1-CB 4.01Å; I58-V97 HydrophobicContact CD1-CG1 3.64Å; I58-V97 HydrophobicContact CG1-CB 4.34Å; I58-V97 HydrophobicContact CG1-CG1 4.33Å; I58-V97 PolarHBondContact N-O 3.27Å; I63-V97 HydrophobicContact CG1-CG2 4.13Å; I71-V97 HydrophobicContact CD1-CG1 3.94Å; V88-V97 HydrophobicContact CG1-CG1 4.31Å; L90-V97 HydrophobicContact CD2-CB 4.38Å; L90-V97 HydrophobicContact CD2-CG1 4Å; L90-V97 HydrophobicContact CD2-CG2 3.9Å; V97-L99 HydrophobicContact CG1-CD2 4.27Å
98W94Very high92.3Very high25 Ų2549.2 Ų49.210%0.09524%0.244CC..EExtended strand (participates in β ladder)trans-116.6133.9179.1-52.883.8000109.9V17 F23 Y37 I55 K56 L57 V88 F89V17-W98 HydrophobicContact CB-CG 4.45Å; V17-W98 HydrophobicContact CG1-CD2 3.89Å; V17-W98 HydrophobicContact CG1-CG 3.9Å; V17-W98 HydrophobicContact CG1-CZ2 4.44Å; F23-W98 AromaticContact CE2-CH2 3.9Å; F23-W98 HydrophobicContact CE2-CH2 3.9Å; F23-W98 AromaticContact CE2-CZ3 3.98Å; F23-W98 HydrophobicContact CE2-CZ3 3.98Å; F23-W98 HydrophobicContact CZ-CH2 4.18Å; F23-W98 HydrophobicContact CZ-CZ3 4.31Å; Y37-W98 HydrophobicContact CD2-CZ3 4.05Å; Y37-W98 HydrophobicContact CE2-CH2 4.42Å; Y37-W98 AromaticContact CE2-CZ3 3.85Å; Y37-W98 HydrophobicContact CE2-CZ3 3.85Å; I55-W98 HydrophobicContact CG2-CB 4.4Å; I55-W98 HydrophobicContact CG2-CD2 4.39Å; I55-W98 HydrophobicContact CG2-CE3 3.46Å; I55-W98 VanDerWaalsContact CG2-CE3 3.46Å; I55-W98 HydrophobicContact CG2-CZ3 4.05Å; K56-W98 CarbonylContact O-C 3.53Å; K56-W98 WeakPolarHBondContact O-CA 3.33Å; L57-W98 HydrophobicContact CB-CD2 4.33Å; L57-W98 HydrophobicContact CB-CE3 3.66Å; L57-W98 HydrophobicContact CB-CH2 4.14Å; L57-W98 HydrophobicContact CB-CZ3 3.59Å; L57-W98 HydrophobicContact CD1-CD2 3.74Å; L57-W98 HydrophobicContact CD1-CE3 3.93Å; L57-W98 HydrophobicContact CD1-CG 4.39Å; L57-W98 HydrophobicContact CD1-CH2 4.01Å; L57-W98 HydrophobicContact CD1-CZ2 3.75Å; L57-W98 HydrophobicContact CD1-CZ3 4.1Å; L57-W98 HydrophobicContact CD2-CH2 3.83Å; L57-W98 HydrophobicContact CD2-CZ2 4.19Å; L57-W98 HydrophobicContact CD2-CZ3 4.15Å; L57-W98 HydrophobicContact CG-CE3 4.3Å; L57-W98 HydrophobicContact CG-CH2 4.21Å; L57-W98 HydrophobicContact CG-CZ2 4.43Å; L57-W98 HydrophobicContact CG-CZ3 4.16Å; V88-W98 CarbonylContact C-O 3.41Å; V88-W98 WeakPolarHBondContact CA-O 3.16Å; F89-W98 HydrophobicContact CB-CB 4.11Å; F89-W98 HydrophobicContact CD2-CB 4.36Å; F89-W98 PolarHBondContact N-O 3.12Å; F89-W98 PolarHBondContact O-N 3.1Å
99L94.2Very high92.1Very high0 Ų052.5 Ų52.50%025%0.253CS..EExtended strand (participates in β ladder)trans-112.8131.2176.5-53.4-176.5000109.2I55 K56 I58 E70 I71 L85 V88 V97 F101I55-L99 CarbonylContact C-O 3.5Å; I55-L99 WeakPolarHBondContact CA-O 3.36Å; K56-L99 HydrophobicContact CB-CB 4.33Å; K56-L99 PolarHBondContact N-O 2.9Å; K56-L99 PolarHBondContact O-N 2.8Å; I58-L99 HydrophobicContact CD1-CD1 3.94Å; I58-L99 HydrophobicContact CD1-CD2 4.28Å; I58-L99 HydrophobicContact CD1-CG 4.02Å; I58-L99 HydrophobicContact CG1-CD1 4.29Å; I58-L99 HydrophobicContact CG1-CG 4.24Å; E70-L99 HydrophobicContact CG-CD1 4.2Å; I71-L99 HydrophobicContact CD1-CD2 4Å; I71-L99 HydrophobicContact CG1-CD2 3.62Å; L85-L99 HydrophobicContact CD1-CB 3.8Å; L85-L99 HydrophobicContact CD1-CD2 4.01Å; L85-L99 HydrophobicContact CD1-CG 4.34Å; V88-L99 HydrophobicContact CG1-CD2 4.18Å; V88-L99 HydrophobicContact CG2-CD2 3.98Å; V97-L99 HydrophobicContact CG1-CD2 4.27Å; L99-F101 HydrophobicContact CB-CD2 4.28Å; L99-F101 HydrophobicContact CB-CE2 3.4Å; L99-F101 HydrophobicContact CB-CZ 3.74Å; L99-F101 HydrophobicContact CD1-CE2 4.21Å; L99-F101 HydrophobicContact CD1-CZ 3.96Å; L99-F101 HydrophobicContact CG-CE2 4.46Å
100L95.2Very high91.7Very high11 Ų1156.4 Ų56.46%0.05827%0.271CS..EExtended strand (participates in β ladder)trans-102.4131.7179.3-175.972.3000110.2F21 Y53 I55 H86 G87 F89F21-L100 HydrophobicContact CE1-CD1 4.04Å; F21-L100 HydrophobicContact CE1-CD2 4.41Å; F21-L100 HydrophobicContact CE2-CD1 4.13Å; F21-L100 HydrophobicContact CE2-CD2 4.01Å; F21-L100 HydrophobicContact CZ-CD1 3.81Å; F21-L100 HydrophobicContact CZ-CD2 3.56Å; F21-L100 HydrophobicContact CZ-CG 4.36Å; Y53-L100 HydrophobicContact CD1-CD1 3.69Å; Y53-L100 HydrophobicContact CD1-CD2 4.07Å; Y53-L100 HydrophobicContact CD1-CG 3.82Å; Y53-L100 HydrophobicContact CE1-CD2 4.22Å; Y53-L100 HydrophobicContact CE1-CG 4.41Å; Y53-L100 HydrophobicContact CG-CD1 3.9Å; I55-L100 HydrophobicContact CD1-CD1 4.19Å; I55-L100 HydrophobicContact CG1-CD1 3.61Å; H86-L100 HydrophobicContact CB-CB 4.33Å; H86-L100 HydrophobicContact CB-CD2 3.95Å; H86-L100 HydrophobicContact CB-CG 4.04Å; H86-L100 WeakPolarHBondContact CB-O 3.39Å; H86-L100 PolarHBondContact N-O 3.04Å; G87-L100 PolarHBondContact O-N 3.38Å; F89-L100 HydrophobicContact CE2-CB 4.05Å; F89-L100 HydrophobicContact CE2-CD2 4.27Å; F89-L100 HydrophobicContact CZ-CD2 4.48Å
101F94.6Very high91.4Very high21 Ų2153.9 Ų53.99%0.09226%0.257CS..EExtended strand (participates in β ladder)trans-134.6162.3179-57.8-83.2000110.6Y53 A54 K56 L74 V83 S84 L85 L99Y53-F101 WeakPolarHBondContact CA-O 3.33Å; Y53-F101 WeakPolarHBondContact CD1-O 3.36Å; A54-F101 HydrophobicContact CB-CB 4.31Å; A54-F101 PolarHBondContact N-O 3.5Å; A54-F101 PolarHBondContact O-N 2.88Å; K56-F101 HydrophobicContact CB-CD2 4.47Å; K56-F101 HydrophobicContact CB-CE2 4Å; K56-F101 HydrophobicContact CD-CE2 4.47Å; L74-F101 HydrophobicContact CD1-CE1 3.83Å; L74-F101 HydrophobicContact CD1-CZ 3.86Å; V83-F101 HydrophobicContact CB-CD1 4.27Å; V83-F101 HydrophobicContact CG2-CE1 4.3Å; S84-F101 WeakPolarHBondContact O-CD1 3.32Å; L85-F101 HydrophobicContact CB-CE1 4.22Å; L85-F101 HydrophobicContact CD1-CE1 4Å; L85-F101 HydrophobicContact CD1-CZ 3.99Å; L99-F101 HydrophobicContact CB-CD2 4.28Å; L99-F101 HydrophobicContact CB-CE2 3.4Å; L99-F101 HydrophobicContact CB-CZ 3.74Å; L99-F101 HydrophobicContact CD1-CE2 4.21Å; L99-F101 HydrophobicContact CD1-CZ 3.96Å; L99-F101 HydrophobicContact CG-CE2 4.46Å
102E92.8Very high91.2Very high54 Ų5453.4 Ų53.425%0.25225%0.254SS..EExtended strand (participates in β ladder)trans-59.4137.2162.1-56.4-174.9118.100109.5H86 M155 K161H86-E102 WeakPolarHBondContact CE1-CG 3.2Å; H86-E102 IonicContact CE1-OE1 3.36Å; H86-E102 VanDerWaalsContact NE2-CG 3.28Å; H86-E102 WeakPolarHBondContact NE2-CG 3.34Å; E102-M155 HydrophobicContact CB-CE 3.89Å; E102-K161 WeakPolarHBondContact OE2-CE 2.78Å; E102-K161 IonicContact OE2-NZ 3.12Å; E102-K161 PolarHBondContact OE2-NZ 3.3Å
103Y92.8Very high91Very high38 Ų3854.5 Ų54.515%0.14926%0.257CS..  trans-71.8133173-180-114000110.1I28 K38 E52 A54 E105 M155I28-Y103 HydrophobicContact CD1-CD2 4.18Å; I28-Y103 HydrophobicContact CD1-CE2 3.63Å; K38-Y103 HydrophobicContact CB-CE2 4.3Å; K38-Y103 HydrophobicContact CD-CE1 4.14Å; K38-Y103 HydrophobicContact CD-CE2 4.04Å; K38-Y103 HydrophobicContact CG-CD2 4.19Å; K38-Y103 HydrophobicContact CG-CE2 4.09Å; E52-Y103 VanDerWaalsContact C-CB 3.43Å; E52-Y103 HydrophobicContact CB-CD1 3.86Å; E52-Y103 HydrophobicContact CB-CG 4.06Å; E52-Y103 WeakPolarHBondContact O-CB 3.34Å; E52-Y103 PolarHBondContact O-N 3.26Å; A54-Y103 HydrophobicContact CB-CD2 4.42Å; Y103-E105 HydrophobicContact CD1-CG 4.5Å; Y103-E105 HydrophobicContact CE1-CG 4.17Å; Y103-M155 WeakPolarHBondContact O-CE 3.38Å
104A92.4Very high90.7Very high15 Ų1557.1 Ų57.112%0.12425%0.254CS..  trans-105.1129.6167.600000108.9H106 L153 M155A104-H106 VanDerWaalsContact C-N 3.28Å; A104-H106 PolarHBondContact O-N 3.46Å; A104-L153 HydrophobicContact CB-CB 3.66Å; A104-L153 HydrophobicContact CB-CD1 4.14Å; A104-L153 HydrophobicContact CB-CG 4.36Å; A104-M155 HydrophobicContact CB-SD 3.76Å
105E87.2Confident89.9Confident80 Ų8057.7 Ų57.737%0.37425%0.254SS..SBendtrans-69.5-30.7-176.2-67.482.9167.100111.9Y103 M155 G156Y103-E105 HydrophobicContact CD1-CG 4.5Å; Y103-E105 HydrophobicContact CE1-CG 4.17Å; E105-M155 WeakPolarHBondContact OE2-CA 3.29Å; E105-G156 VanDerWaalsContact CD-N 3.34Å; E105-G156 WeakPolarHBondContact OE2-CA 3.47Å; E105-G156 PolarHBondContact OE2-N 3.23Å
106H90.7Very high88.9Confident104 Ų10460 Ų6048%0.48126%0.263SS..EExtended strand (participates in β ladder)trans-137.4162.9-175.9-55.8-50000111.6A104 I111 L154A104-H106 VanDerWaalsContact C-N 3.28Å; A104-H106 PolarHBondContact O-N 3.46Å; H106-I111 HydrophobicContact CB-CD1 4.12Å; H106-I111 HydrophobicContact CB-CG1 4.15Å; H106-L154 HydrophobicContact CB-CB 4.25Å; H106-L154 PolarHBondContact N-O 3.03Å; H106-L154 PolarHBondContact O-N 3.29Å
107D92.3Very high87.7Confident29 Ų2961.8 Ų61.816%0.15529%0.287CS..EExtended strand (participates in β ladder)trans-126.7163.9162.461.164.9000109.1W109 H110 I111 I152 L153D107-W109 PolarHBondContact O-N 3.49Å; D107-W109 WeakPolarHBondContact OD1-CA 3.34Å; D107-W109 VanDerWaalsContact OD1-CB 3.23Å; D107-W109 WeakPolarHBondContact OD1-CB 3.4Å; D107-W109 PolarHBondContact OD1-N 2.83Å; D107-H110 PolarHBondContact O-N 3.33Å; D107-H110 IonicContact OD1-CG 2.92Å; D107-H110 PolarHBondContact OD1-N 3.05Å; D107-H110 IonicContact OD1-ND1 2.72Å; D107-H110 PolarHBondContact OD1-ND1 3.09Å; D107-H110 IonicContact OD2-CE1 3.46Å; D107-H110 PolarHBondContact OD2-CE1 3.3Å; D107-H110 IonicContact OD2-CG 2.67Å; D107-H110 IonicContact OD2-ND1 2.73Å; D107-H110 PolarHBondContact OD2-ND1 2.81Å; D107-I111 WeakPolarHBondContact O-CG1 3.26Å; D107-I111 PolarHBondContact O-N 3.24Å; D107-I152 CarbonylContact C-O 3.38Å; D107-I152 WeakPolarHBondContact CA-O 3.34Å; D107-L153 HydrophobicContact CB-CD2 4.04Å
108L92.1Very high86.6Confident2 Ų262.6 Ų62.61%0.0129%0.294CS..Hα-helixtrans-65.8-26.7-174.4-165.163.2000112.5I111 I112 L126 I130 P149 I152 I214 L218L108-I111 HydrophobicContact CD1-CB 4.35Å; L108-I111 HydrophobicContact CD1-CD1 4.36Å; L108-I111 HydrophobicContact CD1-CG2 4.4Å; L108-I111 PolarHBondContact O-N 2.89Å; L108-I112 HydrophobicContact CD1-CG1 4.49Å; L108-I112 HydrophobicContact CD2-CD1 4.31Å; L108-I112 HydrophobicContact CG-CD1 3.78Å; L108-I112 HydrophobicContact CG-CG1 4.23Å; L108-I112 WeakPolarHBondContact O-CB 3.45Å; L108-I112 WeakPolarHBondContact O-CD1 3.39Å; L108-I112 WeakPolarHBondContact O-CG1 3.48Å; L108-I112 PolarHBondContact O-N 3.48Å; L108-L126 HydrophobicContact CD1-CD1 3.8Å; L108-I130 HydrophobicContact CD2-CD1 4.27Å; L108-P149 HydrophobicContact CB-CB 4Å; L108-P149 WeakPolarHBondContact CB-O 3.43Å; L108-P149 HydrophobicContact CD2-CB 4.49Å; L108-P149 HydrophobicContact CG-CB 4.3Å; L108-P149 PolarHBondContact N-O 2.83Å; L108-I152 HydrophobicContact CB-CB 3.84Å; L108-I152 HydrophobicContact CB-CG2 4.12Å; L108-I152 HydrophobicContact CD2-CB 4.11Å; L108-I152 HydrophobicContact CD2-CG1 4.35Å; L108-I152 HydrophobicContact CD2-CG2 4.07Å; L108-I152 PolarHBondContact N-O 3.42Å; L108-I214 HydrophobicContact CD2-CG2 3.34Å; L108-L218 HydrophobicContact CD1-CD1 4.5Å; L108-L218 HydrophobicContact CD1-CD2 3.53Å; L108-L218 HydrophobicContact CD1-CG 4.4Å; L108-L218 HydrophobicContact CD2-CD1 4.12Å; L108-L218 HydrophobicContact CD2-CD2 4.25Å; L108-L218 HydrophobicContact CD2-CG 4.27Å; L108-L218 HydrophobicContact CG-CD2 4.1Å
109W89.3Confident85.8Confident109 Ų10969.6 Ų69.641%0.41333%0.325SS..Hα-helixtrans-64-45.4175.3-176.289.3000110.9D107 K113 P149 A150D107-W109 PolarHBondContact O-N 3.49Å; D107-W109 WeakPolarHBondContact OD1-CA 3.34Å; D107-W109 VanDerWaalsContact OD1-CB 3.23Å; D107-W109 WeakPolarHBondContact OD1-CB 3.4Å; D107-W109 PolarHBondContact OD1-N 2.83Å; W109-K113 HydrophobicContact CH2-CD 3.91Å; W109-K113 HydrophobicContact CZ2-CD 4.38Å; W109-K113 HydrophobicContact CZ3-CD 4.08Å; W109-K113 WeakPolarHBondContact O-CB 3.48Å; W109-K113 PolarHBondContact O-N 3.07Å; W109-K113 VanDerWaalsContact O-N 3.12Å; W109-P149 HydrophobicContact CB-CB 3.93Å; W109-P149 PolarHBondContact N-O 2.86Å; W109-A150 HydrophobicContact CB-CB 4.39Å
110H87.8Confident85.3Confident98 Ų9873 Ų7345%0.45435%0.354SS..Hα-helixtrans-66.1-40.3174.6-72.295.7000112.4D107 K113 F114D107-H110 PolarHBondContact O-N 3.33Å; D107-H110 IonicContact OD1-CG 2.92Å; D107-H110 PolarHBondContact OD1-N 3.05Å; D107-H110 IonicContact OD1-ND1 2.72Å; D107-H110 PolarHBondContact OD1-ND1 3.09Å; D107-H110 IonicContact OD2-CE1 3.46Å; D107-H110 PolarHBondContact OD2-CE1 3.3Å; D107-H110 IonicContact OD2-CG 2.67Å; D107-H110 IonicContact OD2-ND1 2.73Å; D107-H110 PolarHBondContact OD2-ND1 2.81Å; H110-K113 PolarHBondContact O-N 3.09Å; H110-F114 WeakPolarHBondContact O-CB 3.39Å; H110-F114 PolarHBondContact O-N 3.07Å
111I87.3Confident84.9Confident12 Ų1278.2 Ų78.26%0.06237%0.373CS..Hα-helixtrans-62.6-47.9178.5-67.3162000111.1H106 D107 L108 K113 F114 H115 M122 L154H106-I111 HydrophobicContact CB-CD1 4.12Å; H106-I111 HydrophobicContact CB-CG1 4.15Å; D107-I111 WeakPolarHBondContact O-CG1 3.26Å; D107-I111 PolarHBondContact O-N 3.24Å; L108-I111 HydrophobicContact CD1-CB 4.35Å; L108-I111 HydrophobicContact CD1-CD1 4.36Å; L108-I111 HydrophobicContact CD1-CG2 4.4Å; L108-I111 PolarHBondContact O-N 2.89Å; I111-K113 VanDerWaalsContact C-N 3.32Å; I111-K113 PolarHBondContact O-N 3.49Å; I111-F114 PolarHBondContact O-N 3.39Å; I111-H115 WeakPolarHBondContact O-CA 3.21Å; I111-H115 WeakPolarHBondContact O-CB 3.3Å; I111-H115 PolarHBondContact O-N 2.85Å; I111-M122 HydrophobicContact CG2-SD 4.42Å; I111-L154 HydrophobicContact CD1-CB 3.67Å; I111-L154 HydrophobicContact CD1-CD2 3.37Å; I111-L154 HydrophobicContact CD1-CG 4.1Å; I111-L154 HydrophobicContact CG1-CD2 4.44Å
112I86.4Confident84.6Confident9 Ų979.6 Ų79.65%0.04638%0.38CS..Hα-helixtrans-61.2-43.1178.5-71.8163.9000110.5L108 H115 P149 E217 L218L108-I112 HydrophobicContact CD1-CG1 4.49Å; L108-I112 HydrophobicContact CD2-CD1 4.31Å; L108-I112 HydrophobicContact CG-CD1 3.78Å; L108-I112 HydrophobicContact CG-CG1 4.23Å; L108-I112 WeakPolarHBondContact O-CB 3.45Å; L108-I112 WeakPolarHBondContact O-CD1 3.39Å; L108-I112 WeakPolarHBondContact O-CG1 3.48Å; L108-I112 PolarHBondContact O-N 3.48Å; I112-H115 CarbonylContact O-C 3.37Å; I112-P149 HydrophobicContact CD1-CB 4.06Å; I112-P149 HydrophobicContact CD1-CG 4.04Å; I112-E217 HydrophobicContact CD1-CB 4.36Å; I112-E217 HydrophobicContact CD1-CG 3.87Å; I112-E217 HydrophobicContact CG2-CG 4.06Å; I112-L218 HydrophobicContact CD1-CD2 4.09Å; I112-L218 HydrophobicContact CD1-CG 4.38Å; I112-L218 HydrophobicContact CG1-CD2 3.78Å
113K83.8Confident84.6Confident139 Ų13977.1 Ų77.160%0.60437%0.368SS*.Hα-helixtrans-65.5-40.1-179.7-173.2177179.2-1790112.8W109 H110 I111W109-K113 HydrophobicContact CH2-CD 3.91Å; W109-K113 HydrophobicContact CZ2-CD 4.38Å; W109-K113 HydrophobicContact CZ3-CD 4.08Å; W109-K113 WeakPolarHBondContact O-CB 3.48Å; W109-K113 PolarHBondContact O-N 3.07Å; W109-K113 VanDerWaalsContact O-N 3.12Å; H110-K113 PolarHBondContact O-N 3.09Å; I111-K113 VanDerWaalsContact C-N 3.32Å; I111-K113 PolarHBondContact O-N 3.49Å
114F83Confident84.7Confident170 Ų17075.8 Ų75.875%0.74636%0.363SS*.Hα-helixtrans-82.5-38.9-178.2-168.6-96.2000112.4H110 I111H110-F114 WeakPolarHBondContact O-CB 3.39Å; H110-F114 PolarHBondContact O-N 3.07Å; I111-F114 PolarHBondContact O-N 3.39Å
115H74.7Confident84.7Confident84 Ų8475.1 Ų75.139%0.38936%0.358SS..  trans-107.470.2179.7-63.6-71.6000111.1I111 I112 A117 A118I111-H115 WeakPolarHBondContact O-CA 3.21Å; I111-H115 WeakPolarHBondContact O-CB 3.3Å; I111-H115 PolarHBondContact O-N 2.85Å; I112-H115 CarbonylContact O-C 3.37Å; H115-A117 CarbonylContact O-C 3.6Å; H115-A117 PolarHBondContact O-N 3.42Å; H115-A118 PolarHBondContact O-N 2.93Å; H115-A118 VanDerWaalsContact O-N 3.1Å
116R71.3Confident85.1Confident205 Ų20571.4 Ų71.477%0.77434%0.34SS*.SBendtrans-54.7-12.8175.7-74.5-167.1-176.6-166.51.4115S221R116-S221 WeakPolarHBondContact CA-OG 3.26Å; R116-S221 WeakPolarHBondContact O-CB 3.18Å; R116-S221 PolarHBondContact O-OG 3.14Å
117A67.2Low85.4Confident89 Ų8966.5 Ų66.574%0.73632%0.318SS*.SBendtrans-130.881.6165.900000108.4H115 K119H115-A117 CarbonylContact O-C 3.6Å; H115-A117 PolarHBondContact O-N 3.42Å; A117-K119 PolarHBondContact O-N 3.38Å
118A69.6Low85.6Confident20 Ų2067.4 Ų67.417%0.16532%0.32CS..  trans-60.2133169.800000109H115 A120 M122 V123H115-A118 PolarHBondContact O-N 2.93Å; H115-A118 VanDerWaalsContact O-N 3.1Å; A118-A120 PolarHBondContact O-N 2.83Å; A118-M122 HydrophobicContact CB-SD 4.47Å; A118-V123 HydrophobicContact CB-CG2 3.54Å
119K77.9Confident85.9Confident172 Ų17267.3 Ų67.375%0.74832%0.32SS*.  trans-60.7141.8178.8-68-179.6-179.4175.70109.3A117 R121 M122 V123A117-K119 PolarHBondContact O-N 3.38Å; K119-R121 PolarHBondContact O-N 3.07Å; K119-M122 WeakPolarHBondContact O-CA 3.46Å; K119-M122 WeakPolarHBondContact O-CB 3.37Å; K119-M122 PolarHBondContact O-N 2.67Å; K119-V123 PolarHBondContact O-N 3.05Å; K119-V123 VanDerWaalsContact O-N 3.09Å
120A83.4Confident86.3Confident72 Ų7262.1 Ų62.160%0.59530%0.3SS*.Hα-helixtrans-52.3-35.5-178.500000113.9A118 K124A118-A120 PolarHBondContact O-N 2.83Å; A120-K124 WeakPolarHBondContact O-CB 3.1Å; A120-K124 PolarHBondContact O-N 3.15Å; A120-K124 VanDerWaalsContact O-N 3.09Å
121R85.6Confident86.8Confident121 Ų12157.5 Ų57.546%0.45728%0.279SS..Hα-helixtrans-63-42.7173.7-178.5175.8170.3-179.1-6.7112.2K119 S125 P330K119-R121 PolarHBondContact O-N 3.07Å; R121-S125 WeakPolarHBondContact O-CB 3.4Å; R121-S125 PolarHBondContact O-N 3.07Å; R121-S125 PolarHBondContact O-OG 3.09Å; R121-P330 HydrophobicContact CB-CB 4.26Å; R121-P330 HydrophobicContact CB-CG 4Å; R121-P330 HydrophobicContact CG-CB 4.22Å; R121-P330 HydrophobicContact CG-CG 4.46Å
122M89.7Confident87.3Confident49 Ų4958.7 Ų58.724%0.24129%0.285CS..Hα-helixtrans-64.3-51.2178.5-176.8-177.7-81.200111.2I111 A118 K119 K124 S125 L126 F336I111-M122 HydrophobicContact CG2-SD 4.42Å; A118-M122 HydrophobicContact CB-SD 4.47Å; K119-M122 WeakPolarHBondContact O-CA 3.46Å; K119-M122 WeakPolarHBondContact O-CB 3.37Å; K119-M122 PolarHBondContact O-N 2.67Å; M122-K124 VanDerWaalsContact C-N 3.29Å; M122-K124 PolarHBondContact O-N 3.33Å; M122-S125 PolarHBondContact O-N 3.28Å; M122-L126 HydrophobicContact CG-CD1 3.71Å; M122-L126 HydrophobicContact CG-CG 4.21Å; M122-L126 WeakPolarHBondContact O-CB 3.36Å; M122-L126 VanDerWaalsContact O-CG 3.26Å; M122-L126 WeakPolarHBondContact O-CG 3.48Å; M122-L126 PolarHBondContact O-N 3.41Å; M122-L126 HydrophobicContact SD-CD1 4.47Å; M122-F336 VanDerWaalsContact CA-CE1 3.48Å; M122-F336 HydrophobicContact CB-CE1 4.11Å; M122-F336 HydrophobicContact CB-CZ 4.24Å; M122-F336 HydrophobicContact CG-CE1 4.16Å; M122-F336 HydrophobicContact CG-CE2 4.25Å; M122-F336 HydrophobicContact CG-CZ 3.84Å
123V92.4Very high87.9Confident2 Ų258.2 Ų58.21%0.01228%0.283CS..Hα-helixtrans-55.1-45.8177.9175.60000111.5A118 K119 L126 L127 F215 L218 L219A118-V123 HydrophobicContact CB-CG2 3.54Å; K119-V123 PolarHBondContact O-N 3.05Å; K119-V123 VanDerWaalsContact O-N 3.09Å; V123-L126 PolarHBondContact O-N 2.79Å; V123-L127 WeakPolarHBondContact O-CB 3.27Å; V123-L127 PolarHBondContact O-N 2.72Å; V123-F215 HydrophobicContact CG1-CD2 3.93Å; V123-F215 HydrophobicContact CG1-CE2 3.67Å; V123-L218 HydrophobicContact CG1-CB 3.86Å; V123-L218 HydrophobicContact CG1-CD1 4.5Å; V123-L218 HydrophobicContact CG2-CB 4.19Å; V123-L219 HydrophobicContact CG1-CD2 4.04Å; V123-L219 HydrophobicContact CG1-CG 4.4Å
124K93.9Very high88.6Confident11 Ų1151.6 Ų51.65%0.04825%0.254CS..Hα-helixtrans-62.3-49.2179.1-173.1179.2-63.2-166.70112.4A120 M122 L127 F128 Y325 F326 V328 P330 A332A120-K124 WeakPolarHBondContact O-CB 3.1Å; A120-K124 PolarHBondContact O-N 3.15Å; A120-K124 VanDerWaalsContact O-N 3.09Å; M122-K124 VanDerWaalsContact C-N 3.29Å; M122-K124 PolarHBondContact O-N 3.33Å; K124-L127 PolarHBondContact O-N 3.12Å; K124-F128 PolarHBondContact O-N 3.01Å; K124-Y325 HydrophobicContact CB-CE1 4.06Å; K124-Y325 WeakPolarHBondContact CB-OH 3.24Å; K124-Y325 HydrophobicContact CD-CE1 4.37Å; K124-Y325 VanDerWaalsContact CE-O 3.27Å; K124-Y325 WeakPolarHBondContact CE-O 3.45Å; K124-Y325 HydrophobicContact CG-CD1 4.29Å; K124-Y325 HydrophobicContact CG-CE1 3.66Å; K124-Y325 PolarHBondContact NZ-O 3.4Å; K124-F326 HydrophobicContact CD-CD1 4.19Å; K124-F326 HydrophobicContact CG-CD1 3.62Å; K124-F326 HydrophobicContact CG-CE1 3.78Å; K124-F326 WeakPolarHBondContact O-CE1 3.41Å; K124-V328 PolarHBondContact NZ-O 3.38Å; K124-P330 WeakPolarHBondContact CD-O 3.47Å; K124-P330 VanDerWaalsContact CE-O 3.31Å; K124-P330 WeakPolarHBondContact CE-O 3.39Å; K124-P330 PolarHBondContact NZ-O 3.1Å; K124-A332 HydrophobicContact CG-CB 4.36Å
125S93.7Very high89.3Confident0 Ų046 Ų460%023%0.23CC..Hα-helixtrans-61.7-43.3177.8-84.40000113R121 M122 F128 Q129 S333 F336R121-S125 WeakPolarHBondContact O-CB 3.4Å; R121-S125 PolarHBondContact O-N 3.07Å; R121-S125 PolarHBondContact O-OG 3.09Å; M122-S125 PolarHBondContact O-N 3.28Å; S125-F128 PolarHBondContact O-N 3.21Å; S125-Q129 WeakPolarHBondContact O-CG 3.4Å; S125-Q129 PolarHBondContact O-N 2.88Å; S125-S333 VanDerWaalsContact CB-O 3.26Å; S125-S333 WeakPolarHBondContact CB-O 3.45Å; S125-S333 PolarHBondContact OG-N 3.11Å; S125-S333 PolarHBondContact OG-O 3.11Å; S125-F336 WeakPolarHBondContact OG-CE1 3.17Å
126L95Very high90.4Very high2 Ų244 Ų441%0.0122%0.219CC..Hα-helixtrans-60.3-49.8176.7-69.8170.3000110.4L108 M122 V123 F128 Q129 I130 L154 V160 L218 F336L108-L126 HydrophobicContact CD1-CD1 3.8Å; M122-L126 HydrophobicContact CG-CD1 3.71Å; M122-L126 HydrophobicContact CG-CG 4.21Å; M122-L126 WeakPolarHBondContact O-CB 3.36Å; M122-L126 VanDerWaalsContact O-CG 3.26Å; M122-L126 WeakPolarHBondContact O-CG 3.48Å; M122-L126 PolarHBondContact O-N 3.41Å; M122-L126 HydrophobicContact SD-CD1 4.47Å; V123-L126 PolarHBondContact O-N 2.79Å; L126-F128 VanDerWaalsContact C-N 3.35Å; L126-F128 PolarHBondContact O-N 3.47Å; L126-Q129 PolarHBondContact O-N 3.2Å; L126-I130 WeakPolarHBondContact O-CD1 3.27Å; L126-I130 WeakPolarHBondContact O-CG1 3.48Å; L126-I130 PolarHBondContact O-N 3.16Å; L126-L154 HydrophobicContact CD2-CD1 3.83Å; L126-V160 HydrophobicContact CD2-CG2 3.53Å; L126-L218 HydrophobicContact CB-CD1 4.26Å; L126-L218 HydrophobicContact CD1-CD1 4.5Å; L126-L218 HydrophobicContact CD1-CD2 4.05Å; L126-F336 HydrophobicContact CD2-CE2 3.99Å; L126-F336 HydrophobicContact CD2-CZ 4.36Å; L126-F336 HydrophobicContact CG-CE2 4.2Å; L126-F336 HydrophobicContact CG-CZ 4.08Å
127L96.8Very high91.6Very high1 Ų134.2 Ų34.21%0.00518%0.183CC..Hα-helixtrans-58.9-44.9178.1-17864.3000112.2V123 K124 Q129 I130 L131 V211 F215 L302 Y325 F326V123-L127 WeakPolarHBondContact O-CB 3.27Å; V123-L127 PolarHBondContact O-N 2.72Å; K124-L127 PolarHBondContact O-N 3.12Å; L127-Q129 PolarHBondContact O-N 2.73Å; L127-I130 PolarHBondContact O-N 3.4Å; L127-L131 HydrophobicContact CD1-CD1 4.23Å; L127-L131 HydrophobicContact CD1-CG 4.28Å; L127-L131 HydrophobicContact CG-CD1 3.94Å; L127-L131 HydrophobicContact CG-CG 4.42Å; L127-L131 WeakPolarHBondContact O-CB 3.23Å; L127-L131 WeakPolarHBondContact O-CG 3.29Å; L127-L131 PolarHBondContact O-N 3.35Å; L127-V211 HydrophobicContact CD1-CG1 3.64Å; L127-F215 HydrophobicContact CD1-CB 3.94Å; L127-F215 HydrophobicContact CD1-CD2 4.43Å; L127-F215 HydrophobicContact CD1-CG 4.07Å; L127-F215 HydrophobicContact CD2-CB 4.49Å; L127-F215 HydrophobicContact CD2-CD1 3.69Å; L127-F215 HydrophobicContact CD2-CD2 3.75Å; L127-F215 HydrophobicContact CD2-CE1 3.69Å; L127-F215 HydrophobicContact CD2-CE2 3.76Å; L127-F215 HydrophobicContact CD2-CG 3.72Å; L127-F215 HydrophobicContact CD2-CZ 3.72Å; L127-F215 HydrophobicContact CG-CD2 4.45Å; L127-F215 HydrophobicContact CG-CG 4.44Å; L127-L302 HydrophobicContact CD2-CD2 3.75Å; L127-Y325 HydrophobicContact CD2-CD1 4.46Å; L127-Y325 HydrophobicContact CD2-CE1 4.07Å; L127-F326 HydrophobicContact CB-CE1 4.48Å; L127-F326 HydrophobicContact CB-CZ 4.31Å; L127-F326 HydrophobicContact CD2-CE1 4.39Å; L127-F326 HydrophobicContact CD2-CZ 3.74Å; L127-F326 HydrophobicContact CG-CZ 3.88Å
128F97.2Very high93Very high48 Ų4830.2 Ų30.221%0.21115%0.149CC..Hα-helixtrans-59.9-47.8179.8-171.1-91.9000111.4K124 S125 L126 I130 L131 D132 M321 F326 A332 L334K124-F128 PolarHBondContact O-N 3.01Å; S125-F128 PolarHBondContact O-N 3.21Å; L126-F128 VanDerWaalsContact C-N 3.35Å; L126-F128 PolarHBondContact O-N 3.47Å; F128-I130 PolarHBondContact O-N 3.27Å; F128-L131 PolarHBondContact O-N 2.99Å; F128-D132 WeakPolarHBondContact O-CB 3.41Å; F128-D132 PolarHBondContact O-N 2.98Å; F128-M321 HydrophobicContact CE1-CE 4.26Å; F128-M321 HydrophobicContact CE2-CB 4.16Å; F128-M321 HydrophobicContact CE2-CE 4.25Å; F128-M321 HydrophobicContact CE2-CG 4.34Å; F128-M321 HydrophobicContact CZ-CE 3.83Å; F128-F326 HydrophobicContact CB-CD1 4Å; F128-F326 HydrophobicContact CB-CE1 3.64Å; F128-F326 HydrophobicContact CB-CZ 4.16Å; F128-F326 HydrophobicContact CD2-CB 4.27Å; F128-F326 AromaticContact CD2-CD1 3.69Å; F128-F326 HydrophobicContact CD2-CD1 3.69Å; F128-F326 HydrophobicContact CD2-CD2 4Å; F128-F326 AromaticContact CD2-CE1 3.96Å; F128-F326 HydrophobicContact CD2-CE1 3.96Å; F128-F326 HydrophobicContact CD2-CE2 4.23Å; F128-F326 AromaticContact CD2-CG 3.72Å; F128-F326 HydrophobicContact CD2-CG 3.72Å; F128-F326 HydrophobicContact CD2-CZ 4.2Å; F128-F326 HydrophobicContact CE2-CG 4.37Å; F128-F326 HydrophobicContact CG-CD1 4.29Å; F128-F326 HydrophobicContact CG-CE1 4.31Å; F128-A332 HydrophobicContact CB-CB 3.78Å; F128-A332 HydrophobicContact CD1-CB 4.44Å; F128-A332 HydrophobicContact CD2-CB 4.38Å; F128-A332 HydrophobicContact CG-CB 3.94Å; F128-L334 HydrophobicContact CD1-CD2 4.35Å; F128-L334 HydrophobicContact CE1-CD2 4.48Å
129Q97.4Very high94.2Very high1 Ų132.2 Ų32.21%0.00516%0.162CC..Hα-helixtrans-67.9-33.7179.9-69.9-17362.700113N81 S125 L126 L127 G133 G158 R159 V160 L334N81-Q129 VanDerWaalsContact CB-O 3.3Å; N81-Q129 WeakPolarHBondContact CB-O 3.29Å; N81-Q129 PolarHBondContact ND2-OE1 3.06Å; S125-Q129 WeakPolarHBondContact O-CG 3.4Å; S125-Q129 PolarHBondContact O-N 2.88Å; L126-Q129 PolarHBondContact O-N 3.2Å; L127-Q129 PolarHBondContact O-N 2.73Å; Q129-G133 PolarHBondContact O-N 2.95Å; Q129-G158 PolarHBondContact NE2-O 3.29Å; Q129-R159 VanDerWaalsContact OE1-CA 3.3Å; Q129-V160 HydrophobicContact CB-CB 3.78Å; Q129-V160 HydrophobicContact CB-CG2 3.86Å; Q129-L334 HydrophobicContact CG-CD2 3.97Å
130I98.2Very high95Very high0 Ų027.4 Ų27.40%014%0.144CC..Hα-helixtrans-63-48.5171.3-66.9163.2000109.8L108 L126 L127 F128 D132 G133 I134 I152 V160 V211 I214L108-I130 HydrophobicContact CD2-CD1 4.27Å; L126-I130 WeakPolarHBondContact O-CD1 3.27Å; L126-I130 WeakPolarHBondContact O-CG1 3.48Å; L126-I130 PolarHBondContact O-N 3.16Å; L127-I130 PolarHBondContact O-N 3.4Å; F128-I130 PolarHBondContact O-N 3.27Å; I130-D132 VanDerWaalsContact C-N 3.34Å; I130-D132 PolarHBondContact O-N 2.84Å; I130-G133 PolarHBondContact O-N 2.95Å; I130-I134 HydrophobicContact CG2-CG1 4.45Å; I130-I134 WeakPolarHBondContact O-CG1 3.43Å; I130-I134 PolarHBondContact O-N 2.84Å; I130-I152 HydrophobicContact CD1-CG1 4.43Å; I130-I152 HydrophobicContact CD1-CG2 3.96Å; I130-I152 HydrophobicContact CG1-CD1 4.33Å; I130-I152 HydrophobicContact CG1-CG2 3.9Å; I130-I152 HydrophobicContact CG2-CD1 4.48Å; I130-V160 HydrophobicContact CG1-CG1 4.01Å; I130-V211 HydrophobicContact CG2-CG1 4.15Å; I130-V211 HydrophobicContact CG2-CG2 3.78Å; I130-I214 HydrophobicContact CD1-CG2 4.13Å
131L98.6Very high95.4Very high0 Ų030.4 Ų30.40%014%0.14CC..Hα-helixtrans-62.3-40.4178.8-72.5168.3000112L127 F128 I134 H135 V211 L306 A317 A320 M321 F326L127-L131 HydrophobicContact CD1-CD1 4.23Å; L127-L131 HydrophobicContact CD1-CG 4.28Å; L127-L131 HydrophobicContact CG-CD1 3.94Å; L127-L131 HydrophobicContact CG-CG 4.42Å; L127-L131 WeakPolarHBondContact O-CB 3.23Å; L127-L131 WeakPolarHBondContact O-CG 3.29Å; L127-L131 PolarHBondContact O-N 3.35Å; F128-L131 PolarHBondContact O-N 2.99Å; L131-I134 PolarHBondContact O-N 3.47Å; L131-H135 VanDerWaalsContact O-CB 3.27Å; L131-H135 WeakPolarHBondContact O-CB 3.48Å; L131-H135 PolarHBondContact O-N 2.9Å; L131-V211 HydrophobicContact CD2-CG1 3.87Å; L131-V211 HydrophobicContact CG-CG1 4.29Å; L131-L306 HydrophobicContact CD2-CD2 4.4Å; L131-A317 HydrophobicContact CD2-CB 4.41Å; L131-A320 HydrophobicContact CD1-CB 3.72Å; L131-A320 HydrophobicContact CD2-CB 3.79Å; L131-A320 HydrophobicContact CG-CB 4.4Å; L131-M321 HydrophobicContact CB-CG 3.59Å; L131-M321 HydrophobicContact CB-SD 4.2Å; L131-M321 HydrophobicContact CD1-CG 4.32Å; L131-F326 HydrophobicContact CD1-CE2 3.81Å; L131-F326 HydrophobicContact CD1-CZ 3.83Å
132D98.1Very high95.7Very high37 Ų3724.8 Ų24.820%0.19812%0.119CC..Hα-helixtrans-62.6-46.4177.5-164.520000111.4H79 F128 I130 I134 H135 Y136 M321H79-D132 IonicContact CE1-OD1 3.95Å; H79-D132 IonicContact CE1-OD2 2.83Å; H79-D132 IonicContact NE2-OD1 3.97Å; H79-D132 IonicContact NE2-OD2 3.97Å; F128-D132 WeakPolarHBondContact O-CB 3.41Å; F128-D132 PolarHBondContact O-N 2.98Å; I130-D132 VanDerWaalsContact C-N 3.34Å; I130-D132 PolarHBondContact O-N 2.84Å; D132-I134 PolarHBondContact O-N 3.48Å; D132-H135 PolarHBondContact O-N 3.34Å; D132-Y136 PolarHBondContact O-N 2.87Å; D132-M321 HydrophobicContact CB-CE 3.79Å; D132-M321 HydrophobicContact CB-SD 4.29Å; D132-M321 WeakPolarHBondContact OD1-CE 3.48Å
133G98.1Very high95.8Very high0 Ų022.6 Ų22.60%011%0.108CC..Hα-helixtrans-60.6-44173.100000113.2Q129 I130 Y136 L137Q129-G133 PolarHBondContact O-N 2.95Å; I130-G133 PolarHBondContact O-N 2.95Å; G133-Y136 PolarHBondContact O-N 3.48Å; G133-L137 WeakPolarHBondContact O-CG 3.33Å; G133-L137 PolarHBondContact O-N 3.05Å
134I98.2Very high95.8Very high0 Ų022.5 Ų22.50%011%0.107CC..Hα-helixtrans-67.9-39.9177.6-68.5-54.9000112.1I130 L131 D132 Y136 L137 H138 H144 L147 I162 D207 I208 V211 A317I130-I134 HydrophobicContact CG2-CG1 4.45Å; I130-I134 WeakPolarHBondContact O-CG1 3.43Å; I130-I134 PolarHBondContact O-N 2.84Å; L131-I134 PolarHBondContact O-N 3.47Å; D132-I134 PolarHBondContact O-N 3.48Å; I134-Y136 VanDerWaalsContact C-N 3.31Å; I134-Y136 PolarHBondContact O-N 3.25Å; I134-L137 HydrophobicContact CD1-CD1 4.04Å; I134-L137 PolarHBondContact O-N 2.98Å; I134-H138 WeakPolarHBondContact CG2-CE1 3.19Å; I134-H138 VanDerWaalsContact O-CB 3.31Å; I134-H138 WeakPolarHBondContact O-CB 3.48Å; I134-H138 PolarHBondContact O-CD2 3.17Å; I134-H138 VanDerWaalsContact O-CG 3.26Å; I134-H138 PolarHBondContact O-N 3.48Å; I134-H144 HydrophobicContact CD1-CB 4.39Å; I134-L147 HydrophobicContact CD1-CD1 3.5Å; I134-L147 HydrophobicContact CD1-CD2 3.98Å; I134-L147 HydrophobicContact CD1-CG 4.23Å; I134-L147 HydrophobicContact CG1-CD1 3.97Å; I134-I162 HydrophobicContact CD1-CD1 3.67Å; I134-I162 HydrophobicContact CG1-CD1 3.81Å; I134-D207 HydrophobicContact CG2-CB 4.37Å; I134-I208 HydrophobicContact CG2-CD1 4.16Å; I134-V211 HydrophobicContact CG1-CG2 4.18Å; I134-A317 HydrophobicContact CG2-CB 4.15Å
135H98.2Very high95.6Very high53 Ų5323.5 Ų23.525%0.24511%0.111CC..Hα-helixtrans-57-48.3173.6173.468.5000110.5L131 D132 L137 H138 S139 A317 Q318 M321L131-H135 VanDerWaalsContact O-CB 3.27Å; L131-H135 WeakPolarHBondContact O-CB 3.48Å; L131-H135 PolarHBondContact O-N 2.9Å; D132-H135 PolarHBondContact O-N 3.34Å; H135-L137 PolarHBondContact O-N 2.92Å; H135-H138 PolarHBondContact O-N 3.34Å; H135-S139 PolarHBondContact CE1-OG 3.4Å; H135-S139 PolarHBondContact NE2-OG 2.94Å; H135-S139 WeakPolarHBondContact O-CB 3.35Å; H135-S139 PolarHBondContact O-N 3.42Å; H135-S139 PolarHBondContact O-OG 3.33Å; H135-S139 VanDerWaalsContact O-OG 3.05Å; H135-A317 HydrophobicContact CB-CB 3.83Å; H135-Q318 PolarHBondContact CE1-OE1 3.27Å; H135-Q318 VanDerWaalsContact CE1-OE1 3.3Å; H135-M321 HydrophobicContact CB-SD 4Å
136Y98.1Very high95.3Very high40 Ų4024.2 Ų24.216%0.15712%0.115CC..Hα-helixtrans-57.2-48175.8172.6-98.2000112.6L77 K78 H79 V82 D132 G133 I134 H138 S139 N140L77-Y136 WeakPolarHBondContact CA-OH 3.03Å; L77-Y136 HydrophobicContact CB-CE1 4.2Å; L77-Y136 HydrophobicContact CD2-CD1 4.46Å; L77-Y136 HydrophobicContact CD2-CE1 3.6Å; L77-Y136 HydrophobicContact CG-CE1 4.49Å; K78-Y136 PolarHBondContact N-OH 3.38Å; K78-Y136 PolarHBondContact O-OH 3.48Å; H79-Y136 HydrophobicContact CB-CD1 3.43Å; H79-Y136 VanDerWaalsContact CB-CD1 3.43Å; H79-Y136 HydrophobicContact CB-CD2 4.05Å; H79-Y136 HydrophobicContact CB-CE1 3.66Å; H79-Y136 HydrophobicContact CB-CE2 4.27Å; H79-Y136 HydrophobicContact CB-CG 3.64Å; H79-Y136 AromaticContact CD2-CD2 3.7Å; H79-Y136 AromaticContact CD2-CG 3.6Å; H79-Y136 AromaticContact CG-CD1 3.89Å; H79-Y136 AromaticContact CG-CG 3.64Å; V82-Y136 HydrophobicContact CG2-CD1 4.03Å; D132-Y136 PolarHBondContact O-N 2.87Å; G133-Y136 PolarHBondContact O-N 3.48Å; I134-Y136 VanDerWaalsContact C-N 3.31Å; I134-Y136 PolarHBondContact O-N 3.25Å; Y136-H138 PolarHBondContact O-N 3.46Å; Y136-S139 PolarHBondContact O-N 2.94Å; Y136-N140 WeakPolarHBondContact CD2-ND2 3.37Å; Y136-N140 WeakPolarHBondContact CE2-ND2 3.24Å; Y136-N140 PolarHBondContact O-N 2.82Å; Y136-N140 VanDerWaalsContact O-N 3.08Å; Y136-N140 PolarHBondContact O-ND2 2.98Å
137L97.1Very high95.3Very high0 Ų024.3 Ų24.30%012%0.116CC..Hα-helixtrans-59.5-47.9177-66.2179.6000111.3L77 V82 G133 I134 H135 S139 N140 W141 V142 H144 M165L77-L137 HydrophobicContact CD1-CD2 3.74Å; L77-L137 HydrophobicContact CD2-CD2 3.93Å; L77-L137 HydrophobicContact CG-CD2 4.44Å; V82-L137 HydrophobicContact CG1-CD2 4.28Å; V82-L137 HydrophobicContact CG2-CD2 3.98Å; V82-L137 HydrophobicContact CG2-CG 4.14Å; G133-L137 WeakPolarHBondContact O-CG 3.33Å; G133-L137 PolarHBondContact O-N 3.05Å; I134-L137 HydrophobicContact CD1-CD1 4.04Å; I134-L137 PolarHBondContact O-N 2.98Å; H135-L137 PolarHBondContact O-N 2.92Å; L137-S139 VanDerWaalsContact C-N 3.28Å; L137-S139 PolarHBondContact O-N 3.04Å; L137-N140 CarbonylContact O-C 3.59Å; L137-N140 WeakPolarHBondContact O-CA 3.27Å; L137-N140 PolarHBondContact O-N 2.79Å; L137-W141 PolarHBondContact O-N 3.03Å; L137-V142 CarbonylContact C-O 3.44Å; L137-V142 VanDerWaalsContact C-O 3.27Å; L137-V142 HydrophobicContact CB-CB 4.17Å; L137-V142 HydrophobicContact CD2-CB 4.33Å; L137-V142 HydrophobicContact CD2-CG1 4.22Å; L137-V142 PolarHBondContact O-N 3.46Å; L137-H144 HydrophobicContact CD1-CB 4.43Å; L137-M165 HydrophobicContact CD1-CE 3.78Å; L137-M165 HydrophobicContact CD1-SD 4.49Å; L137-M165 HydrophobicContact CD2-CE 3.76Å; L137-M165 HydrophobicContact CG-CE 4.41Å
138H96.1Very high95.1Very high6 Ų627 Ų273%0.02813%0.127CC..Hα-helixtrans-64.3-31.8-179-75.4-171.3000113.1I134 H135 Y136 W141 V142 K204 D207I134-H138 WeakPolarHBondContact CG2-CE1 3.19Å; I134-H138 VanDerWaalsContact O-CB 3.31Å; I134-H138 WeakPolarHBondContact O-CB 3.48Å; I134-H138 PolarHBondContact O-CD2 3.17Å; I134-H138 VanDerWaalsContact O-CG 3.26Å; I134-H138 PolarHBondContact O-N 3.48Å; H135-H138 PolarHBondContact O-N 3.34Å; Y136-H138 PolarHBondContact O-N 3.46Å; H138-W141 PolarHBondContact O-N 2.87Å; H138-V142 PolarHBondContact CD2-O 2.82Å; H138-K204 HydrophobicContact CB-CD 3.87Å; H138-K204 HydrophobicContact CB-CG 4.23Å; H138-K204 PolarHBondContact CE1-O 3.27Å; H138-K204 VanDerWaalsContact CE1-O 3.28Å; H138-K204 VanDerWaalsContact O-CE 3.23Å; H138-K204 WeakPolarHBondContact O-CE 3.49Å; H138-K204 PolarHBondContact O-NZ 3.05Å; H138-D207 IonicContact CD2-OD2 3.81Å; H138-D207 IonicContact CE1-OD2 3.61Å; H138-D207 IonicContact NE2-OD2 2.75Å; H138-D207 PolarHBondContact NE2-OD2 2.86Å
139S95.7Very high95Very high62 Ų6224.8 Ų24.843%0.43412%0.118SC..Hα-helixtrans-73-28.8173.9-67.30000112.2H135 Y136 L137 W141H135-S139 PolarHBondContact CE1-OG 3.4Å; H135-S139 PolarHBondContact NE2-OG 2.94Å; H135-S139 WeakPolarHBondContact O-CB 3.35Å; H135-S139 PolarHBondContact O-N 3.42Å; H135-S139 PolarHBondContact O-OG 3.33Å; H135-S139 VanDerWaalsContact O-OG 3.05Å; Y136-S139 PolarHBondContact O-N 2.94Å; L137-S139 VanDerWaalsContact C-N 3.28Å; L137-S139 PolarHBondContact O-N 3.04Å; S139-W141 VanDerWaalsContact C-N 3.28Å; S139-W141 PolarHBondContact O-N 2.99Å
140N94.3Very high94.7Very high70 Ų7026.9 Ų26.937%0.37414%0.135SC..THydrogen-bonded Turntrans-92.120.4174.1-71.9-80.4000113.4L77 Y136 L137 V142L77-N140 HydrophobicContact CD2-CB 4.25Å; Y136-N140 WeakPolarHBondContact CD2-ND2 3.37Å; Y136-N140 WeakPolarHBondContact CE2-ND2 3.24Å; Y136-N140 PolarHBondContact O-N 2.82Å; Y136-N140 VanDerWaalsContact O-N 3.08Å; Y136-N140 PolarHBondContact O-ND2 2.98Å; L137-N140 CarbonylContact O-C 3.59Å; L137-N140 WeakPolarHBondContact O-CA 3.27Å; L137-N140 PolarHBondContact O-N 2.79Å; N140-V142 PolarHBondContact O-N 2.86Å
141W91.5Very high94.5Very high136 Ų13627.6 Ų27.652%0.51514%0.139SC..THydrogen-bonded Turntrans60.923.5179-59.381.9000114.7L137 H138 S139 L170 F171L137-W141 PolarHBondContact O-N 3.03Å; H138-W141 PolarHBondContact O-N 2.87Å; S139-W141 VanDerWaalsContact C-N 3.28Å; S139-W141 PolarHBondContact O-N 2.99Å; W141-L170 CarbonylContact O-C 3.58Å; W141-L170 WeakPolarHBondContact O-CA 3.35Å; W141-F171 HydrophobicContact CB-CD1 4.33Å; W141-F171 HydrophobicContact CB-CE1 4.07Å; W141-F171 HydrophobicContact CB-CZ 4.18Å; W141-F171 AromaticContact CD2-CE2 3.9Å; W141-F171 HydrophobicContact CD2-CE2 3.9Å; W141-F171 AromaticContact CD2-CZ 3.88Å; W141-F171 HydrophobicContact CD2-CZ 3.88Å; W141-F171 AromaticContact CE3-CD2 3.45Å; W141-F171 HydrophobicContact CE3-CD2 3.45Å; W141-F171 VanDerWaalsContact CE3-CD2 3.45Å; W141-F171 HydrophobicContact CE3-CE1 4.33Å; W141-F171 AromaticContact CE3-CE2 2.99Å; W141-F171 HydrophobicContact CE3-CE2 2.99Å; W141-F171 HydrophobicContact CE3-CG 4.23Å; W141-F171 AromaticContact CE3-CZ 3.46Å; W141-F171 HydrophobicContact CE3-CZ 3.46Å; W141-F171 VanDerWaalsContact CE3-CZ 3.46Å; W141-F171 HydrophobicContact CG-CZ 4.23Å; W141-F171 HydrophobicContact CH2-CE2 4.35Å; W141-F171 AromaticContact CZ3-CD2 3.81Å; W141-F171 HydrophobicContact CZ3-CD2 3.81Å; W141-F171 AromaticContact CZ3-CE2 3.28Å; W141-F171 HydrophobicContact CZ3-CE2 3.28Å; W141-F171 HydrophobicContact CZ3-CZ 4.08Å; W141-F171 WeakPolarHBondContact O-CD1 3.31Å; W141-F171 WeakPolarHBondContact O-CE1 3.3Å; W141-F171 PolarHBondContact O-N 3.37Å
142V91.9Very high94.3Very high2 Ų227.7 Ų27.71%0.01214%0.139CC..EExtended strand (participates in β ladder)trans-104.3127.5178.7-177.90000110.6L73 L77 L137 H138 N140 A168 L170L73-V142 HydrophobicContact CD1-CG1 4.49Å; L73-V142 HydrophobicContact CD2-CG2 3.88Å; L77-V142 HydrophobicContact CD2-CG2 4.19Å; L137-V142 CarbonylContact C-O 3.44Å; L137-V142 VanDerWaalsContact C-O 3.27Å; L137-V142 HydrophobicContact CB-CB 4.17Å; L137-V142 HydrophobicContact CD2-CB 4.33Å; L137-V142 HydrophobicContact CD2-CG1 4.22Å; L137-V142 PolarHBondContact O-N 3.46Å; H138-V142 PolarHBondContact CD2-O 2.82Å; N140-V142 PolarHBondContact O-N 2.86Å; V142-A168 HydrophobicContact CG1-CB 4.03Å; V142-L170 HydrophobicContact CG2-CD2 3.95Å
143L91.7Very high94.2Very high3 Ų328.1 Ų28.12%0.01614%0.141CC..EExtended strand (participates in β ladder)trans-100.1138.2165.6-57.6-178.7000109.7R145 A168 R169 F171 K204L143-R145 HydrophobicContact CB-CG 3.7Å; L143-A168 WeakPolarHBondContact O-CA 3.47Å; L143-R169 PolarHBondContact N-O 2.95Å; L143-R169 PolarHBondContact O-N 3.13Å; L143-R169 VanDerWaalsContact O-N 3.09Å; L143-F171 HydrophobicContact CD1-CB 4Å; L143-F171 HydrophobicContact CD1-CD1 4.3Å; L143-F171 HydrophobicContact CD1-CG 4.37Å; L143-F171 HydrophobicContact CD2-CD1 3.65Å; L143-F171 HydrophobicContact CD2-CE1 3.92Å; L143-F171 HydrophobicContact CD2-CG 4.37Å; L143-F171 HydrophobicContact CG-CB 4.12Å; L143-F171 HydrophobicContact CG-CD1 3.58Å; L143-F171 HydrophobicContact CG-CE1 4.33Å; L143-F171 HydrophobicContact CG-CG 4.14Å; L143-K204 HydrophobicContact CD2-CB 4.4Å; L143-K204 HydrophobicContact CD2-CG 3.86Å
144H92.3Very high94Very high0 Ų029 Ų290%015%0.146CC..  trans-79-48.5179.3-171.9-78000112I134 L137 D146 L147 I162 G163 F167 D207I134-H144 HydrophobicContact CD1-CB 4.39Å; L137-H144 HydrophobicContact CD1-CB 4.43Å; H144-D146 PolarHBondContact CE1-O 3.17Å; H144-D146 VanDerWaalsContact CE1-O 3.28Å; H144-D146 VanDerWaalsContact ND1-C 3.29Å; H144-D146 PolarHBondContact ND1-N 2.98Å; H144-D146 PolarHBondContact O-N 3.24Å; H144-D146 VanDerWaalsContact O-N 3.09Å; H144-L147 HydrophobicContact CB-CD1 4.42Å; H144-L147 HydrophobicContact CB-CD2 4.17Å; H144-L147 HydrophobicContact CB-CG 3.95Å; H144-L147 PolarHBondContact ND1-N 2.65Å; H144-I162 VanDerWaalsContact CD2-CG2 3.4Å; H144-I162 WeakPolarHBondContact CD2-CG2 3.31Å; H144-G163 PolarHBondContact NE2-O 3Å; H144-F167 CarbonylContact O-C 2.88Å; H144-D207 PolarHBondContact N-OD2 3.12Å
145R88.9Confident93.7Very high32 Ų3229.7 Ų29.712%0.12115%0.149CC..  trans69.7-12.2173.3-49-173.7-60.4140.228117.4L143 F167 D182 Y202 D207L143-R145 HydrophobicContact CB-CG 3.7Å; R145-F167 HydrophobicContact CB-CB 4.43Å; R145-F167 PolarHBondContact NE-O 3.17Å; R145-F167 PolarHBondContact NH2-O 3.42Å; R145-D182 IonicContact CZ-OD1 2.79Å; R145-D182 IonicContact CZ-OD2 3.2Å; R145-D182 IonicContact NH1-OD1 3.57Å; R145-D182 PolarHBondContact NH1-OD1 2.94Å; R145-D182 IonicContact NH1-OD2 2.63Å; R145-D182 PolarHBondContact NH1-OD2 3.11Å; R145-D182 VanDerWaalsContact NH2-CG 3.34Å; R145-D182 IonicContact NH2-OD1 3.79Å; R145-D182 PolarHBondContact NH2-OD1 3.08Å; R145-D182 IonicContact NH2-OD2 2.71Å; R145-D182 PolarHBondContact NH2-OD2 3.07Å; R145-Y202 HydrophobicContact CB-CD1 4.31Å; R145-Y202 HydrophobicContact CB-CE1 4.12Å; R145-Y202 HydrophobicContact CG-CD1 3.9Å; R145-Y202 HydrophobicContact CG-CE1 4.18Å; R145-Y202 HydrophobicContact CG-CG 4.16Å; R145-Y202 VanDerWaalsContact NH1-CD2 3.34Å; R145-D207 PolarHBondContact N-OD1 3.47Å
146D88.8Confident93.1Very high16 Ų1630 Ų309%0.08617%0.168CC..  trans-134.448.6174.4-175.337.3000111.9H144 K148 N151 F167H144-D146 PolarHBondContact CE1-O 3.17Å; H144-D146 VanDerWaalsContact CE1-O 3.28Å; H144-D146 VanDerWaalsContact ND1-C 3.29Å; H144-D146 PolarHBondContact ND1-N 2.98Å; H144-D146 PolarHBondContact O-N 3.24Å; H144-D146 VanDerWaalsContact O-N 3.09Å; D146-K148 PolarHBondContact O-N 2.92Å; D146-K148 IonicContact OD1-NZ 3.37Å; D146-K148 PolarHBondContact OD1-NZ 3.28Å; D146-K148 IonicContact OD2-NZ 3.72Å; D146-K148 PolarHBondContact OD2-NZ 3.14Å; D146-N151 PolarHBondContact O-ND2 3.26Å; D146-N151 PolarHBondContact OD2-ND2 2.58Å; D146-F167 HydrophobicContact CB-CB 3.84Å; D146-F167 HydrophobicContact CB-CD2 3.2Å; D146-F167 HydrophobicContact CB-CE2 3.83Å; D146-F167 HydrophobicContact CB-CG 3.7Å; D146-F167 VanDerWaalsContact CG-CD2 3.45Å; D146-F167 WeakPolarHBondContact OD2-CD2 3.41Å; D146-F167 WeakPolarHBondContact OD2-CE2 3.11Å
147L94.4Very high92.6Very high4 Ų431 Ų312%0.02118%0.176CC..  trans-72.1127.6174.5-73.4171.8000110.5I134 H144 I152 I162 Y190 D207 A210 V211 I214I134-L147 HydrophobicContact CD1-CD1 3.5Å; I134-L147 HydrophobicContact CD1-CD2 3.98Å; I134-L147 HydrophobicContact CD1-CG 4.23Å; I134-L147 HydrophobicContact CG1-CD1 3.97Å; H144-L147 HydrophobicContact CB-CD1 4.42Å; H144-L147 HydrophobicContact CB-CD2 4.17Å; H144-L147 HydrophobicContact CB-CG 3.95Å; H144-L147 PolarHBondContact ND1-N 2.65Å; L147-I152 HydrophobicContact CD2-CD1 4.01Å; L147-I162 HydrophobicContact CD2-CG2 3.97Å; L147-Y190 VanDerWaalsContact O-CB 3.3Å; L147-Y190 WeakPolarHBondContact O-CB 3.41Å; L147-D207 HydrophobicContact CD1-CB 3.81Å; L147-A210 HydrophobicContact CB-CB 3.63Å; L147-A210 HydrophobicContact CD1-CB 4.42Å; L147-V211 HydrophobicContact CD1-CG2 3.89Å; L147-I214 HydrophobicContact CB-CD1 4.34Å
148K93.2Very high92.2Very high57 Ų5731.3 Ų31.325%0.24818%0.178CC..  trans-159.8161176.359.5-169.9172.4-138.70108.8D146 A150 N151 Y190D146-K148 PolarHBondContact O-N 2.92Å; D146-K148 IonicContact OD1-NZ 3.37Å; D146-K148 PolarHBondContact OD1-NZ 3.28Å; D146-K148 IonicContact OD2-NZ 3.72Å; D146-K148 PolarHBondContact OD2-NZ 3.14Å; K148-A150 HydrophobicContact CG-CB 4.43Å; K148-A150 PolarHBondContact O-N 3.08Å; K148-A150 VanDerWaalsContact O-N 3.11Å; K148-N151 WeakPolarHBondContact CE-ND2 3.15Å; K148-N151 HydrophobicContact CG-CB 4.26Å; K148-N151 PolarHBondContact O-N 2.93Å; K148-Y190 HydrophobicContact CB-CD2 3.61Å; K148-Y190 HydrophobicContact CB-CE2 3.71Å; K148-Y190 HydrophobicContact CB-CG 4.12Å
149P93.9Very high92.1Very high2 Ų234.8 Ų34.81%0.01319%0.191CC..G310 helixtrans-53.3-36.4-177.1-29.335.7000114.5L108 W109 I112 N151 I152 Y190 I214 E217L108-P149 HydrophobicContact CB-CB 4Å; L108-P149 WeakPolarHBondContact CB-O 3.43Å; L108-P149 HydrophobicContact CD2-CB 4.49Å; L108-P149 HydrophobicContact CG-CB 4.3Å; L108-P149 PolarHBondContact N-O 2.83Å; W109-P149 HydrophobicContact CB-CB 3.93Å; W109-P149 PolarHBondContact N-O 2.86Å; I112-P149 HydrophobicContact CD1-CB 4.06Å; I112-P149 HydrophobicContact CD1-CG 4.04Å; P149-N151 PolarHBondContact O-N 3.24Å; P149-I152 PolarHBondContact O-N 3.31Å; P149-I152 VanDerWaalsContact O-N 3.1Å; P149-Y190 VanDerWaalsContact CD-CE1 3.43Å; P149-Y190 WeakPolarHBondContact CD-OH 3.34Å; P149-Y190 HydrophobicContact CG-CE1 4.04Å; P149-Y190 WeakPolarHBondContact CG-OH 3.43Å; P149-I214 HydrophobicContact CG-CG1 4.3Å; P149-E217 WeakPolarHBondContact CG-OE2 3.44Å
150A91.1Very high92.2Very high45 Ų4531.9 Ų31.937%0.37217%0.171SC..G310 helixtrans-64.4-20.9177.500000114.1W109 K148W109-A150 HydrophobicContact CB-CB 4.39Å; K148-A150 HydrophobicContact CG-CB 4.43Å; K148-A150 PolarHBondContact O-N 3.08Å; K148-A150 VanDerWaalsContact O-N 3.11Å
151N93.8Very high92.2Very high15 Ų1528.9 Ų28.98%0.0815%0.154CC..G310 helixtrans-97.81.6178.4-68.8-4.4000112.3D146 K148 P149 G163D146-N151 PolarHBondContact O-ND2 3.26Å; D146-N151 PolarHBondContact OD2-ND2 2.58Å; K148-N151 WeakPolarHBondContact CE-ND2 3.15Å; K148-N151 HydrophobicContact CG-CB 4.26Å; K148-N151 PolarHBondContact O-N 2.93Å; P149-N151 PolarHBondContact O-N 3.24Å; N151-G163 PolarHBondContact O-N 3.24Å
152I95.9Very high92.5Very high2 Ų222.4 Ų22.41%0.0113%0.13CC..EExtended strand (participates in β ladder)trans-104.999.8174.3-55.1-55.3000108D107 L108 I130 L147 P149 V160 I162 I214D107-I152 CarbonylContact C-O 3.38Å; D107-I152 WeakPolarHBondContact CA-O 3.34Å; L108-I152 HydrophobicContact CB-CB 3.84Å; L108-I152 HydrophobicContact CB-CG2 4.12Å; L108-I152 HydrophobicContact CD2-CB 4.11Å; L108-I152 HydrophobicContact CD2-CG1 4.35Å; L108-I152 HydrophobicContact CD2-CG2 4.07Å; L108-I152 PolarHBondContact N-O 3.42Å; I130-I152 HydrophobicContact CD1-CG1 4.43Å; I130-I152 HydrophobicContact CD1-CG2 3.96Å; I130-I152 HydrophobicContact CG1-CD1 4.33Å; I130-I152 HydrophobicContact CG1-CG2 3.9Å; I130-I152 HydrophobicContact CG2-CD1 4.48Å; L147-I152 HydrophobicContact CD2-CD1 4.01Å; P149-I152 PolarHBondContact O-N 3.31Å; P149-I152 VanDerWaalsContact O-N 3.1Å; I152-V160 HydrophobicContact CG2-CG1 3.56Å; I152-I162 HydrophobicContact CD1-CG1 4.08Å; I152-I214 HydrophobicContact CG1-CD1 4.13Å
153L95.2Very high92.4Very high45 Ų4522.5 Ų22.524%0.23613%0.131CC..EExtended strand (participates in β ladder)trans-84.3147.6-178.6-51.3-179.7000110.5V83 A104 D107 V160 K161V83-L153 HydrophobicContact CG1-CD1 3.78Å; A104-L153 HydrophobicContact CB-CB 3.66Å; A104-L153 HydrophobicContact CB-CD1 4.14Å; A104-L153 HydrophobicContact CB-CG 4.36Å; D107-L153 HydrophobicContact CB-CD2 4.04Å; L153-V160 CarbonylContact O-C 3.58Å; L153-V160 VanDerWaalsContact O-CA 3.29Å; L153-V160 WeakPolarHBondContact O-CA 3.42Å; L153-K161 HydrophobicContact CB-CB 4.33Å; L153-K161 WeakPolarHBondContact CB-O 3.01Å; L153-K161 PolarHBondContact N-O 3.28Å; L153-K161 PolarHBondContact O-N 3.42Å
154L93.6Very high92Very high18 Ų1824.2 Ų24.29%0.09414%0.14CC..EExtended strand (participates in β ladder)trans-121.1121.2173.3-172.872.7000109.5H106 I111 L126 G158 V160 F336H106-L154 HydrophobicContact CB-CB 4.25Å; H106-L154 PolarHBondContact N-O 3.03Å; H106-L154 PolarHBondContact O-N 3.29Å; I111-L154 HydrophobicContact CD1-CB 3.67Å; I111-L154 HydrophobicContact CD1-CD2 3.37Å; I111-L154 HydrophobicContact CD1-CG 4.1Å; I111-L154 HydrophobicContact CG1-CD2 4.44Å; L126-L154 HydrophobicContact CD2-CD1 3.83Å; L154-G158 WeakPolarHBondContact CD1-O 3.45Å; L154-V160 HydrophobicContact CD1-CG2 4.27Å; L154-F336 HydrophobicContact CD1-CE2 4.39Å
155M92.2Very high91.5Very high15 Ų1524.2 Ų24.27%0.07414%0.14CC..  trans-76.3158.6174.9-50.8-55.1-65.400110.7E102 Y103 A104 E105 D157 G158 R159 K161E102-M155 HydrophobicContact CB-CE 3.89Å; Y103-M155 WeakPolarHBondContact O-CE 3.38Å; A104-M155 HydrophobicContact CB-SD 3.76Å; E105-M155 WeakPolarHBondContact OE2-CA 3.29Å; M155-D157 WeakPolarHBondContact CB-OD1 3.16Å; M155-D157 PolarHBondContact O-N 2.79Å; M155-D157 VanDerWaalsContact O-N 3.08Å; M155-G158 PolarHBondContact O-N 3.06Å; M155-R159 HydrophobicContact CB-CB 4.3Å; M155-R159 HydrophobicContact CG-CB 4.13Å; M155-R159 WeakPolarHBondContact CG-O 3.19Å; M155-R159 PolarHBondContact N-O 3.04Å; M155-K161 HydrophobicContact CE-CD 4.4Å; M155-K161 HydrophobicContact CG-CD 4.16Å; M155-K161 HydrophobicContact CG-CG 4.14Å; M155-K161 HydrophobicContact SD-CD 3.52Å; M155-K161 VanDerWaalsContact SD-CD 3.52Å; M155-K161 VanDerWaalsContact SD-CE 3.53Å; M155-K161 HydrophobicContact SD-CG 4Å
156G86.3Confident90.6Very high61 Ų6122.7 Ų22.763%0.62913%0.134SC*.THydrogen-bonded Turntrans-61-19.3-179.800000115E105E105-G156 VanDerWaalsContact CD-N 3.34Å; E105-G156 WeakPolarHBondContact OE2-CA 3.47Å; E105-G156 PolarHBondContact OE2-N 3.23Å
157D87.5Confident89.7Confident61 Ų6122.4 Ų22.433%0.32613%0.133SC..THydrogen-bonded Turntrans-89.92172.863.212.3000113.8M155 R159 V335M155-D157 WeakPolarHBondContact CB-OD1 3.16Å; M155-D157 PolarHBondContact O-N 2.79Å; M155-D157 VanDerWaalsContact O-N 3.08Å; D157-R159 VanDerWaalsContact CG-NE 3.32Å; D157-R159 WeakPolarHBondContact OD1-CB 3.45Å; D157-R159 WeakPolarHBondContact OD1-CG 3.38Å; D157-R159 PolarHBondContact OD1-N 3.37Å; D157-R159 IonicContact OD1-NE 3.27Å; D157-R159 PolarHBondContact OD1-NE 3.05Å; D157-R159 IonicContact OD1-NH2 3.99Å; D157-R159 IonicContact OD2-CZ 3.54Å; D157-R159 IonicContact OD2-NE 2.87Å; D157-R159 PolarHBondContact OD2-NE 2.97Å; D157-R159 IonicContact OD2-NH2 3.81Å; D157-R159 PolarHBondContact OD2-NH2 3.43Å; D157-V335 HydrophobicContact CB-CG1 4.35Å; D157-V335 WeakPolarHBondContact O-CG1 3.29Å
158G88.9Confident88.4Confident5 Ų522.2 Ų22.25%0.05213%0.132CC..SBendtrans86.36179.800000115.1Q129 L154 M155Q129-G158 PolarHBondContact NE2-O 3.29Å; L154-G158 WeakPolarHBondContact CD1-O 3.45Å; M155-G158 PolarHBondContact O-N 3.06Å
159R93.7Very high87.5Confident79 Ų7921.4 Ų21.430%0.29813%0.127SC..  trans-73.1135.2170.6-71.7-177.6-68.1155.8-1.2111.2Q129 M155 D157Q129-R159 VanDerWaalsContact OE1-CA 3.3Å; M155-R159 HydrophobicContact CB-CB 4.3Å; M155-R159 HydrophobicContact CG-CB 4.13Å; M155-R159 WeakPolarHBondContact CG-O 3.19Å; M155-R159 PolarHBondContact N-O 3.04Å; D157-R159 VanDerWaalsContact CG-NE 3.32Å; D157-R159 WeakPolarHBondContact OD1-CB 3.45Å; D157-R159 WeakPolarHBondContact OD1-CG 3.38Å; D157-R159 PolarHBondContact OD1-N 3.37Å; D157-R159 IonicContact OD1-NE 3.27Å; D157-R159 PolarHBondContact OD1-NE 3.05Å; D157-R159 IonicContact OD1-NH2 3.99Å; D157-R159 IonicContact OD2-CZ 3.54Å; D157-R159 IonicContact OD2-NE 2.87Å; D157-R159 PolarHBondContact OD2-NE 2.97Å; D157-R159 IonicContact OD2-NH2 3.81Å; D157-R159 PolarHBondContact OD2-NH2 3.43Å
160V96.2Very high86.4Confident1 Ų125.6 Ų25.61%0.00615%0.149CC..EExtended strand (participates in β ladder)trans-80.9141.1170.2171.50000109.3N81 L126 Q129 I130 I152 L153 L154N81-V160 WeakPolarHBondContact CA-O 3.13Å; N81-V160 PolarHBondContact ND2-O 3.45Å; L126-V160 HydrophobicContact CD2-CG2 3.53Å; Q129-V160 HydrophobicContact CB-CB 3.78Å; Q129-V160 HydrophobicContact CB-CG2 3.86Å; I130-V160 HydrophobicContact CG1-CG1 4.01Å; I152-V160 HydrophobicContact CG2-CG1 3.56Å; L153-V160 CarbonylContact O-C 3.58Å; L153-V160 VanDerWaalsContact O-CA 3.29Å; L153-V160 WeakPolarHBondContact O-CA 3.42Å; L154-V160 HydrophobicContact CD1-CG2 4.27Å
161K95.9Very high85.4Confident8 Ų824.7 Ų24.74%0.03514%0.137CC..EExtended strand (participates in β ladder)trans-127.5122.2163.6-69.2-173.7-175.6-92.30110.5V83 E102 L153 M155 G163V83-K161 HydrophobicContact CG1-CB 3.88Å; V83-K161 HydrophobicContact CG1-CD 4.43Å; E102-K161 WeakPolarHBondContact OE2-CE 2.78Å; E102-K161 IonicContact OE2-NZ 3.12Å; E102-K161 PolarHBondContact OE2-NZ 3.3Å; L153-K161 HydrophobicContact CB-CB 4.33Å; L153-K161 WeakPolarHBondContact CB-O 3.01Å; L153-K161 PolarHBondContact N-O 3.28Å; L153-K161 PolarHBondContact O-N 3.42Å; M155-K161 HydrophobicContact CE-CD 4.4Å; M155-K161 HydrophobicContact CG-CD 4.16Å; M155-K161 HydrophobicContact CG-CG 4.14Å; M155-K161 HydrophobicContact SD-CD 3.52Å; M155-K161 VanDerWaalsContact SD-CD 3.52Å; M155-K161 VanDerWaalsContact SD-CE 3.53Å; M155-K161 HydrophobicContact SD-CG 4Å; K161-G163 PolarHBondContact O-N 3.45Å
162I96.7Very high83.8Confident0 Ų027.8 Ų27.80%015%0.153CC..EExtended strand (participates in β ladder)trans-72.8117.4171.6-60.2169.3000108N81 V83 I134 H144 L147 I152 M165N81-I162 WeakPolarHBondContact O-CG1 3.28Å; N81-I162 PolarHBondContact O-N 3.28Å; V83-I162 WeakPolarHBondContact CG1-O 3.39Å; V83-I162 WeakPolarHBondContact CG2-O 3.47Å; V83-I162 PolarHBondContact N-O 2.83Å; I134-I162 HydrophobicContact CD1-CD1 3.67Å; I134-I162 HydrophobicContact CG1-CD1 3.81Å; H144-I162 VanDerWaalsContact CD2-CG2 3.4Å; H144-I162 WeakPolarHBondContact CD2-CG2 3.31Å; L147-I162 HydrophobicContact CD2-CG2 3.97Å; I152-I162 HydrophobicContact CD1-CG1 4.08Å; I162-M165 HydrophobicContact CG2-CE 4.45Å
163G91Very high81.5Confident4 Ų434.7 Ų34.74%0.04119%0.19CC..  trans-110.9176.4-177.400000113.6H144 N151 K161H144-G163 PolarHBondContact NE2-O 3Å; N151-G163 PolarHBondContact O-N 3.24Å; K161-G163 PolarHBondContact O-N 3.45Å
164D83.1Confident79.6Confident38 Ų3837.7 Ų37.720%0.20321%0.212CC..  trans57.472.9178.5-158.814000116Y33 K56 G166Y33-D164 WeakPolarHBondContact CD2-OD1 3.08Å; Y33-D164 WeakPolarHBondContact CD2-OD2 2.8Å; Y33-D164 WeakPolarHBondContact CE2-OD2 3.08Å; K56-D164 IonicContact NZ-OD1 2.88Å; K56-D164 PolarHBondContact NZ-OD1 3.14Å; D164-G166 PolarHBondContact O-N 3.42Å; D164-G166 VanDerWaalsContact O-N 3.16Å; D164-G166 PolarHBondContact OD1-N 2.87Å
165M80.4Confident77.9Confident0 Ų040.3 Ų40.30%023%0.226CC..G310 helixtrans-79.114.9175.1-62-62.5-17500113.4E70 L74 L77 V82 L137 I162 F167 A168E70-M165 HydrophobicContact CG-CB 4.35Å; L74-M165 HydrophobicContact CD2-CB 4.42Å; L74-M165 HydrophobicContact CD2-CG 3.77Å; L74-M165 HydrophobicContact CG-CB 4.43Å; L74-M165 HydrophobicContact CG-CG 4.28Å; L77-M165 HydrophobicContact CD1-CE 4.31Å; V82-M165 HydrophobicContact CG1-CE 3.48Å; V82-M165 VanDerWaalsContact CG1-CE 3.48Å; L137-M165 HydrophobicContact CD1-CE 3.78Å; L137-M165 HydrophobicContact CD1-SD 4.49Å; L137-M165 HydrophobicContact CD2-CE 3.76Å; L137-M165 HydrophobicContact CG-CE 4.41Å; I162-M165 HydrophobicContact CG2-CE 4.45Å; M165-F167 PolarHBondContact O-N 2.91Å; M165-A168 HydrophobicContact CB-CB 3.83Å; M165-A168 HydrophobicContact CG-CB 4.42Å; M165-A168 VanDerWaalsContact O-CB 3.28Å; M165-A168 WeakPolarHBondContact O-CB 3.45Å; M165-A168 PolarHBondContact O-N 2.96Å; M165-A168 HydrophobicContact SD-CB 3.9Å
166G70.4Confident76.1Confident0 Ų046.2 Ų46.20%025%0.251CS..G310 helixtrans-59.1-33.7179.900000112.9R69 D164R69-G166 PolarHBondContact NH2-O 3.05Å; D164-G166 PolarHBondContact O-N 3.42Å; D164-G166 VanDerWaalsContact O-N 3.16Å; D164-G166 PolarHBondContact OD1-N 2.87Å
167F70Confident74.8Confident11 Ų1147.8 Ų47.85%0.04825%0.25CS..G310 helixtrans-91.53.9171-67.7-80000113.4Y33 H144 R145 D146 M165 D182 P183 V185Y33-F167 AromaticContact CE2-CD2 3.71Å; Y33-F167 HydrophobicContact CE2-CD2 3.71Å; Y33-F167 AromaticContact CE2-CE2 3.47Å; Y33-F167 HydrophobicContact CE2-CE2 3.47Å; Y33-F167 VanDerWaalsContact CE2-CE2 3.47Å; Y33-F167 HydrophobicContact CE2-CZ 4.26Å; Y33-F167 AromaticContact CZ-CD2 3.63Å; Y33-F167 AromaticContact CZ-CE2 3.51Å; Y33-F167 AromaticContact CZ-CZ 3.96Å; Y33-F167 VanDerWaalsContact OH-CD1 3.31Å; Y33-F167 WeakPolarHBondContact OH-CD1 3.41Å; Y33-F167 WeakPolarHBondContact OH-CD2 3.4Å; Y33-F167 VanDerWaalsContact OH-CE1 3.28Å; Y33-F167 WeakPolarHBondContact OH-CE1 3.35Å; Y33-F167 WeakPolarHBondContact OH-CE2 3.39Å; Y33-F167 WeakPolarHBondContact OH-CG 3.5Å; Y33-F167 WeakPolarHBondContact OH-CZ 3.38Å; H144-F167 CarbonylContact O-C 2.88Å; R145-F167 HydrophobicContact CB-CB 4.43Å; R145-F167 PolarHBondContact NE-O 3.17Å; R145-F167 PolarHBondContact NH2-O 3.42Å; D146-F167 HydrophobicContact CB-CB 3.84Å; D146-F167 HydrophobicContact CB-CD2 3.2Å; D146-F167 HydrophobicContact CB-CE2 3.83Å; D146-F167 HydrophobicContact CB-CG 3.7Å; D146-F167 VanDerWaalsContact CG-CD2 3.45Å; D146-F167 WeakPolarHBondContact OD2-CD2 3.41Å; D146-F167 WeakPolarHBondContact OD2-CE2 3.11Å; M165-F167 PolarHBondContact O-N 2.91Å; F167-D182 HydrophobicContact CD1-CB 4.28Å; F167-D182 HydrophobicContact CE1-CB 4.2Å; F167-P183 HydrophobicContact CE1-CB 4.13Å; F167-P183 VanDerWaalsContact CE1-CD 3.45Å; F167-P183 HydrophobicContact CE1-CG 3.97Å; F167-P183 HydrophobicContact CZ-CB 4.06Å; F167-P183 HydrophobicContact CZ-CG 4.14Å; F167-V185 HydrophobicContact CE1-CG2 4.01Å; F167-V185 HydrophobicContact CZ-CG2 3.9Å
168A68.3Low73.4Confident0 Ų046.8 Ų46.80%025%0.245CC..  trans-68.8147-179.500000111.8R69 L73 V142 L143 M165R69-A168 VanDerWaalsContact CD-O 3.24Å; R69-A168 WeakPolarHBondContact CD-O 3.46Å; R69-A168 PolarHBondContact NE-O 3.08Å; R69-A168 VanDerWaalsContact NE-O 3.1Å; L73-A168 HydrophobicContact CD1-CB 3.57Å; V142-A168 HydrophobicContact CG1-CB 4.03Å; L143-A168 WeakPolarHBondContact O-CA 3.47Å; M165-A168 HydrophobicContact CB-CB 3.83Å; M165-A168 HydrophobicContact CG-CB 4.42Å; M165-A168 VanDerWaalsContact O-CB 3.28Å; M165-A168 WeakPolarHBondContact O-CB 3.45Å; M165-A168 PolarHBondContact O-N 2.96Å; M165-A168 HydrophobicContact SD-CB 3.9Å
169R73.8Confident71.6Confident39 Ų3950.5 Ų50.515%0.14728%0.275CS..EExtended strand (participates in β ladder)trans-140.2144171.3-69.7-66.6-179-63.6-8110.4R69 L143 F171 L181 D182R69-R169 VanDerWaalsContact NH2-CZ 3.31Å; L143-R169 PolarHBondContact N-O 2.95Å; L143-R169 PolarHBondContact O-N 3.13Å; L143-R169 VanDerWaalsContact O-N 3.09Å; R169-F171 PolarHBondContact O-N 3.28Å; R169-L181 PolarHBondContact NH2-O 3.5Å; R169-D182 IonicContact CZ-OD1 2.95Å; R169-D182 IonicContact NH1-OD1 3.65Å; R169-D182 IonicContact NH2-OD1 3.46Å; R169-D182 PolarHBondContact NH2-OD1 3.45Å
170L69.9Low69.6Low90 Ų9053.4 Ų53.447%0.47130%0.297SS..EExtended strand (participates in β ladder)trans-64.4124.7157.4-66172.7000108.2L73 W141 V142L73-L170 HydrophobicContact CD2-CD2 3.88Å; L73-L170 HydrophobicContact CD2-CG 3.99Å; W141-L170 CarbonylContact O-C 3.58Å; W141-L170 WeakPolarHBondContact O-CA 3.35Å; V142-L170 HydrophobicContact CG2-CD2 3.95Å
171F70.6Confident67.5Low27 Ų2758.1 Ų58.112%0.11832%0.321CS..PPolyproline II helixtrans-88.2121.5164.167.4-82.9000107.1W141 L143 R169 K204W141-F171 HydrophobicContact CB-CD1 4.33Å; W141-F171 HydrophobicContact CB-CE1 4.07Å; W141-F171 HydrophobicContact CB-CZ 4.18Å; W141-F171 AromaticContact CD2-CE2 3.9Å; W141-F171 HydrophobicContact CD2-CE2 3.9Å; W141-F171 AromaticContact CD2-CZ 3.88Å; W141-F171 HydrophobicContact CD2-CZ 3.88Å; W141-F171 AromaticContact CE3-CD2 3.45Å; W141-F171 HydrophobicContact CE3-CD2 3.45Å; W141-F171 VanDerWaalsContact CE3-CD2 3.45Å; W141-F171 HydrophobicContact CE3-CE1 4.33Å; W141-F171 AromaticContact CE3-CE2 2.99Å; W141-F171 HydrophobicContact CE3-CE2 2.99Å; W141-F171 HydrophobicContact CE3-CG 4.23Å; W141-F171 AromaticContact CE3-CZ 3.46Å; W141-F171 HydrophobicContact CE3-CZ 3.46Å; W141-F171 VanDerWaalsContact CE3-CZ 3.46Å; W141-F171 HydrophobicContact CG-CZ 4.23Å; W141-F171 HydrophobicContact CH2-CE2 4.35Å; W141-F171 AromaticContact CZ3-CD2 3.81Å; W141-F171 HydrophobicContact CZ3-CD2 3.81Å; W141-F171 AromaticContact CZ3-CE2 3.28Å; W141-F171 HydrophobicContact CZ3-CE2 3.28Å; W141-F171 HydrophobicContact CZ3-CZ 4.08Å; W141-F171 WeakPolarHBondContact O-CD1 3.31Å; W141-F171 WeakPolarHBondContact O-CE1 3.3Å; W141-F171 PolarHBondContact O-N 3.37Å; L143-F171 HydrophobicContact CD1-CB 4Å; L143-F171 HydrophobicContact CD1-CD1 4.3Å; L143-F171 HydrophobicContact CD1-CG 4.37Å; L143-F171 HydrophobicContact CD2-CD1 3.65Å; L143-F171 HydrophobicContact CD2-CE1 3.92Å; L143-F171 HydrophobicContact CD2-CG 4.37Å; L143-F171 HydrophobicContact CG-CB 4.12Å; L143-F171 HydrophobicContact CG-CD1 3.58Å; L143-F171 HydrophobicContact CG-CE1 4.33Å; L143-F171 HydrophobicContact CG-CG 4.14Å; R169-F171 PolarHBondContact O-N 3.28Å; F171-K204 HydrophobicContact CE1-CG 4.43Å; F171-K204 HydrophobicContact CZ-CD 4.31Å; F171-K204 HydrophobicContact CZ-CG 4.34Å
172N59.9Low65.7Low79 Ų7960 Ų6042%0.42233%0.331SS..PPolyproline II helixtrans-98.5157.5171.6-67.611.3000107.9P174 L175N172-P174 CarbonylContact C-O 3.53Å; N172-P174 CarbonylContact O-C 3.07Å; N172-L175 PolarHBondContact O-N 2.85Å
173N48.5Very low63.7Low147 Ų14761.6 Ų61.679%0.78634%0.342SS*.SBendtrans-94.9118159.5-169.78.1000107.3
174P54.4Low62.1Low108 Ų10866.9 Ų66.970%0.70137%0.373SS*.SBendcis-80.5155.55.533.3-35.1000113.9N172 K176N172-P174 CarbonylContact C-O 3.53Å; N172-P174 CarbonylContact O-C 3.07Å; P174-K176 PolarHBondContact O-N 2.95Å
175L58Low61.2Low73 Ų7367.3 Ų67.338%0.38238%0.377SS..PPolyproline II helixtrans-58.9131.5-177.2-63.2171000111.3N172 H201N172-L175 PolarHBondContact O-N 2.85Å; L175-H201 HydrophobicContact CB-CB 3.82Å; L175-H201 WeakPolarHBondContact CB-ND1 3.37Å; L175-H201 HydrophobicContact CD1-CB 3.74Å; L175-H201 HydrophobicContact CG-CB 4.31Å; L175-H201 PolarHBondContact O-CE1 3.32Å; L175-H201 VanDerWaalsContact O-CE1 3.31Å; L175-H201 PolarHBondContact O-ND1 3.05Å
176K55.6Low60.2Low140 Ų14071.7 Ų71.761%0.60940%0.403SS*.PPolyproline II helixtrans-73.2142.2176.5-70.7-170175.6-176.10111.1P174 H201P174-K176 PolarHBondContact O-N 2.95Å; K176-H201 PolarHBondContact O-ND1 2.87Å
177P58.3Low60.4Low94 Ų9474 Ų7461%0.6142%0.417SS*.BIsolated β-bridgetrans-60.2147.1170.3-22.333.2000112.3A179 R200P177-A179 PolarHBondContact O-N 3.46Å; P177-R200 CarbonylContact C-O 3.57Å; P177-R200 WeakPolarHBondContact CA-O 3.39Å
178L58.9Low61.2Low39 Ų3974.3 Ų74.320%0.20442%0.419CS..SBendtrans-66.8-14.8178.3-99.8150.1000115.1D180 L195 A199 R200 Y202L178-D180 PolarHBondContact O-N 3.22Å; L178-L195 HydrophobicContact CD1-CD2 3.71Å; L178-L195 HydrophobicContact CD2-CD2 4.15Å; L178-A199 WeakPolarHBondContact CD1-O 3.35Å; L178-R200 VanDerWaalsContact CD1-C 3.41Å; L178-R200 PolarHBondContact N-O 3.27Å; L178-Y202 HydrophobicContact CD2-CD1 4.24Å; L178-Y202 HydrophobicContact CD2-CD2 3.64Å; L178-Y202 HydrophobicContact CD2-CE1 3.69Å; L178-Y202 HydrophobicContact CD2-CE2 3Å; L178-Y202 HydrophobicContact CD2-CG 4.23Å; L178-Y202 VanDerWaalsContact CD2-OH 3.31Å; L178-Y202 WeakPolarHBondContact CD2-OH 3.38Å; L178-Y202 HydrophobicContact CG-CD2 3.85Å; L178-Y202 HydrophobicContact CG-CE2 3.68Å; L178-Y202 HydrophobicContact CG-CG 4.46Å
179A49.4Very low62.4Low84 Ų8476.8 Ų76.869%0.69443%0.428SS*.THydrogen-bonded Turntrans-79-3.6-150.400000118.4P177P177-A179 PolarHBondContact O-N 3.46Å
180D51.7Low63.4Low140 Ų14076 Ų7675%0.74943%0.426SS*.THydrogen-bonded Turntrans-120.8-12.8-162.6-74.1-34.5000120L178L178-D180 PolarHBondContact O-N 3.22Å
181L53.2Low64.4Low100 Ų10074.4 Ų74.452%0.52441%0.413SS..  trans-151.513.9-160.6-75.5168.1000118.9R169R169-L181 PolarHBondContact NH2-O 3.5Å
182D57.6Low65.6Low46 Ų4673.1 Ų73.125%0.24641%0.408CS..  trans-103.3129.9-176.4-68.8-29.4000112.7R145 F167 R169 Y202R145-D182 IonicContact CZ-OD1 2.79Å; R145-D182 IonicContact CZ-OD2 3.2Å; R145-D182 IonicContact NH1-OD1 3.57Å; R145-D182 PolarHBondContact NH1-OD1 2.94Å; R145-D182 IonicContact NH1-OD2 2.63Å; R145-D182 PolarHBondContact NH1-OD2 3.11Å; R145-D182 VanDerWaalsContact NH2-CG 3.34Å; R145-D182 IonicContact NH2-OD1 3.79Å; R145-D182 PolarHBondContact NH2-OD1 3.08Å; R145-D182 IonicContact NH2-OD2 2.71Å; R145-D182 PolarHBondContact NH2-OD2 3.07Å; F167-D182 HydrophobicContact CD1-CB 4.28Å; F167-D182 HydrophobicContact CE1-CB 4.2Å; R169-D182 IonicContact CZ-OD1 2.95Å; R169-D182 IonicContact NH1-OD1 3.65Å; R169-D182 IonicContact NH2-OD1 3.46Å; R169-D182 PolarHBondContact NH2-OD1 3.45Å; D182-Y202 WeakPolarHBondContact OD2-CE2 3.18Å; D182-Y202 PolarHBondContact OD2-OH 3.45Å
183P54.6Low67.4Low34 Ų3469.4 Ų69.422%0.22139%0.388CS..  trans-51.8153.1174-27.230.8000112.9T32 Y33 F167 V185T32-P183 HydrophobicContact CG2-CB 3.85Å; T32-P183 HydrophobicContact CG2-CG 4.44Å; Y33-P183 HydrophobicContact CE1-CG 4.17Å; F167-P183 HydrophobicContact CE1-CB 4.13Å; F167-P183 VanDerWaalsContact CE1-CD 3.45Å; F167-P183 HydrophobicContact CE1-CG 3.97Å; F167-P183 HydrophobicContact CZ-CB 4.06Å; F167-P183 HydrophobicContact CZ-CG 4.14Å; P183-V185 PolarHBondContact O-N 3.49Å
184V57.6Low69.6Low115 Ų11562.6 Ų62.670%0.69735%0.351SS*.  trans-54.6113172.31800000108.9
185V63.9Low71.3Confident48 Ų4857.8 Ų57.829%0.29132%0.319SS..  trans-87.3126.5175-178.80000107.6F167 P183 T187 F188F167-V185 HydrophobicContact CE1-CG2 4.01Å; F167-V185 HydrophobicContact CZ-CG2 3.9Å; P183-V185 PolarHBondContact O-N 3.49Å; V185-T187 WeakPolarHBondContact CG1-O 3.27Å; V185-F188 HydrophobicContact CB-CE1 4.2Å; V185-F188 HydrophobicContact CG1-CD1 4.48Å; V185-F188 HydrophobicContact CG1-CE1 4.31Å; V185-F188 VanDerWaalsContact O-CZ 3.23Å; V185-F188 WeakPolarHBondContact O-CZ 3.28Å
186V60.6Low73Confident91 Ų9154.3 Ų54.355%0.55230%0.301SS*.  trans-91.5-23.3-175.9-171.10000112.1
187T73.7Confident74.8Confident48 Ų4847.7 Ų47.729%0.29427%0.273SS..  trans-126.3119.8-173.9-54.90000111.2V185 W189V185-T187 WeakPolarHBondContact CG1-O 3.27Å; T187-W189 HydrophobicContact CG2-CB 4.24Å; T187-W189 HydrophobicContact CG2-CD2 3.36Å; T187-W189 HydrophobicContact CG2-CE3 3.82Å; T187-W189 HydrophobicContact CG2-CG 3.56Å; T187-W189 HydrophobicContact CG2-CZ2 4.16Å; T187-W189 HydrophobicContact CG2-CZ3 4.38Å
188F86.1Confident76.3Confident18 Ų1843.6 Ų43.68%0.07925%0.247CC..  trans-101.55.8-174.7-56.9-68.2000114.7V185 Y190 R191 I232 H239 Q242V185-F188 HydrophobicContact CB-CE1 4.2Å; V185-F188 HydrophobicContact CG1-CD1 4.48Å; V185-F188 HydrophobicContact CG1-CE1 4.31Å; V185-F188 VanDerWaalsContact O-CZ 3.23Å; V185-F188 WeakPolarHBondContact O-CZ 3.28Å; F188-Y190 PolarHBondContact O-N 3.47Å; F188-Y190 VanDerWaalsContact O-N 3.08Å; F188-R191 HydrophobicContact CB-CB 4.34Å; F188-R191 VanDerWaalsContact CE1-NH1 3.27Å; F188-R191 VanDerWaalsContact O-CB 3.23Å; F188-R191 WeakPolarHBondContact O-CB 3.49Å; F188-R191 PolarHBondContact O-N 2.95Å; F188-I232 HydrophobicContact CD2-CD1 4.28Å; F188-I232 HydrophobicContact CE2-CD1 3.72Å; F188-H239 AromaticContact CD1-CD2 3.9Å; F188-H239 AromaticContact CD1-NE2 3.91Å; F188-H239 AromaticContact CD2-CD2 3.92Å; F188-H239 AromaticContact CE1-CD2 3.86Å; F188-H239 AromaticContact CE1-NE2 3.37Å; F188-H239 WeakPolarHBondContact CE1-NE2 3.45Å; F188-H239 AromaticContact CE2-CD2 3.9Å; F188-H239 AromaticContact CE2-CE1 3.6Å; F188-H239 AromaticContact CE2-ND1 3.86Å; F188-H239 AromaticContact CE2-NE2 3.61Å; F188-H239 AromaticContact CG-CD2 3.92Å; F188-H239 AromaticContact CZ-CD2 3.86Å; F188-H239 AromaticContact CZ-CE1 3.47Å; F188-H239 VanDerWaalsContact CZ-CE1 3.47Å; F188-H239 WeakPolarHBondContact CZ-CE1 3.48Å; F188-H239 AromaticContact CZ-NE2 3.2Å; F188-H239 WeakPolarHBondContact CZ-NE2 3.43Å; F188-Q242 HydrophobicContact CB-CG 3.9Å
189W93.8Very high77.7Confident52 Ų5242.7 Ų42.720%0.19725%0.246CC..THydrogen-bonded Turntrans-60.8-25-171.5-51.6-19.4000114.6T187 P223 H226 C227T187-W189 HydrophobicContact CG2-CB 4.24Å; T187-W189 HydrophobicContact CG2-CD2 3.36Å; T187-W189 HydrophobicContact CG2-CE3 3.82Å; T187-W189 HydrophobicContact CG2-CG 3.56Å; T187-W189 HydrophobicContact CG2-CZ2 4.16Å; T187-W189 HydrophobicContact CG2-CZ3 4.38Å; W189-P223 HydrophobicContact CD2-CB 4.5Å; W189-P223 HydrophobicContact CE3-CB 3.84Å; W189-P223 HydrophobicContact CE3-CG 3.96Å; W189-P223 HydrophobicContact CZ3-CB 4.3Å; W189-P223 HydrophobicContact CZ3-CG 3.9Å; W189-H226 AromaticContact CE2-CD2 3.96Å; W189-H226 AromaticContact CH2-CD2 3.58Å; W189-H226 AromaticContact CH2-NE2 3.97Å; W189-H226 AromaticContact CZ2-CD2 3.47Å; W189-H226 VanDerWaalsContact CZ2-CD2 3.47Å; W189-H226 WeakPolarHBondContact CZ2-CD2 3.19Å; W189-H226 AromaticContact CZ2-NE2 3.75Å; W189-C227 PolarHBondContact NE1-O 3.1Å
190Y94.8Very high79.1Confident24 Ų2447 Ų479%0.09424%0.244CC..THydrogen-bonded Turntrans-104.83.7179.9-49.9-84.7000112.2L147 K148 P149 F188 A210 C213 I214 E217L147-Y190 VanDerWaalsContact O-CB 3.3Å; L147-Y190 WeakPolarHBondContact O-CB 3.41Å; K148-Y190 HydrophobicContact CB-CD2 3.61Å; K148-Y190 HydrophobicContact CB-CE2 3.71Å; K148-Y190 HydrophobicContact CB-CG 4.12Å; P149-Y190 VanDerWaalsContact CD-CE1 3.43Å; P149-Y190 WeakPolarHBondContact CD-OH 3.34Å; P149-Y190 HydrophobicContact CG-CE1 4.04Å; P149-Y190 WeakPolarHBondContact CG-OH 3.43Å; F188-Y190 PolarHBondContact O-N 3.47Å; F188-Y190 VanDerWaalsContact O-N 3.08Å; Y190-A210 WeakPolarHBondContact O-CB 3.3Å; Y190-C213 HydrophobicContact CD1-CB 3.59Å; Y190-C213 HydrophobicContact CE1-CB 4.23Å; Y190-C213 HydrophobicContact CG-CB 4.49Å; Y190-I214 HydrophobicContact CD1-CG1 4.12Å; Y190-I214 HydrophobicContact CE1-CG1 4.13Å; Y190-E217 WeakPolarHBondContact CE1-OE2 3.4Å; Y190-E217 PolarHBondContact OH-OE2 3.31Å
191R92.5Very high80.4Confident56 Ų5643.8 Ų43.821%0.21122%0.224CC..  trans-81.4131.5-177.1-166.1166.4-175.6-170.30.5109.9F188 L195 L196 W209F188-R191 HydrophobicContact CB-CB 4.34Å; F188-R191 VanDerWaalsContact CE1-NH1 3.27Å; F188-R191 VanDerWaalsContact O-CB 3.23Å; F188-R191 WeakPolarHBondContact O-CB 3.49Å; F188-R191 PolarHBondContact O-N 2.95Å; R191-L195 HydrophobicContact CG-CB 3.75Å; R191-L195 HydrophobicContact CG-CD1 3.7Å; R191-L195 HydrophobicContact CG-CG 4.42Å; R191-L196 HydrophobicContact CB-CD2 4.38Å; R191-L196 HydrophobicContact CG-CD2 4.15Å; R191-L196 HydrophobicContact CG-CG 4.5Å; R191-W209 PolarHBondContact O-NE1 3Å
192A95.6Very high81.7Confident0 Ų040.8 Ų40.80%021%0.206CC..  trans-68.4147.4-179.400000112E194 L195 L196 I206 W209A192-E194 VanDerWaalsContact C-N 3.25Å; A192-E194 HydrophobicContact CB-CG 4.35Å; A192-E194 VanDerWaalsContact CB-OE1 3.25Å; A192-E194 WeakPolarHBondContact CB-OE1 3.22Å; A192-E194 VanDerWaalsContact CB-OE2 3.31Å; A192-E194 WeakPolarHBondContact CB-OE2 3.36Å; A192-E194 PolarHBondContact O-N 3.38Å; A192-L195 WeakPolarHBondContact O-CB 3.1Å; A192-L195 PolarHBondContact O-N 3.06Å; A192-L196 PolarHBondContact O-N 2.98Å; A192-I206 HydrophobicContact CB-CB 4.49Å; A192-I206 HydrophobicContact CB-CG1 4.21Å; A192-I206 HydrophobicContact CB-CG2 4.45Å; A192-W209 VanDerWaalsContact CA-CD1 3.41Å; A192-W209 HydrophobicContact CB-CB 3.77Å; A192-W209 HydrophobicContact CB-CD2 4.29Å; A192-W209 HydrophobicContact CB-CG 3.68Å
193P96.1Very high83.2Confident0 Ų040.8 Ų40.80%021%0.208CC..Hα-helixtrans-60.9-33.2-175.324.7-34.9000112.6L195 L196 L197 W209 W258P193-L195 VanDerWaalsContact C-N 3.25Å; P193-L195 PolarHBondContact O-N 3.11Å; P193-L196 CarbonylContact O-C 3.51Å; P193-L196 WeakPolarHBondContact O-CB 3.37Å; P193-L196 PolarHBondContact O-N 3.42Å; P193-L196 VanDerWaalsContact O-N 3.08Å; P193-L197 WeakPolarHBondContact O-CG 3.45Å; P193-L197 PolarHBondContact O-N 3.18Å; P193-W209 HydrophobicContact CG-CE3 4.44Å; P193-W209 HydrophobicContact CG-CH2 4.07Å; P193-W209 HydrophobicContact CG-CZ2 4.39Å; P193-W209 HydrophobicContact CG-CZ3 4.09Å; P193-W258 HydrophobicContact CB-CH2 4.14Å; P193-W258 HydrophobicContact CB-CZ3 4.04Å; P193-W258 HydrophobicContact CG-CH2 4.2Å; P193-W258 HydrophobicContact CG-CZ3 4.13Å
194E94.7Very high85.1Confident5 Ų543.1 Ų43.12%0.02322%0.215CC..Hα-helixtrans-61.7-33175.864.1-86.7-160.200112.7A192 L197 G198 A199 I206 W258 M264 P311 R314A192-E194 VanDerWaalsContact C-N 3.25Å; A192-E194 HydrophobicContact CB-CG 4.35Å; A192-E194 VanDerWaalsContact CB-OE1 3.25Å; A192-E194 WeakPolarHBondContact CB-OE1 3.22Å; A192-E194 VanDerWaalsContact CB-OE2 3.31Å; A192-E194 WeakPolarHBondContact CB-OE2 3.36Å; A192-E194 PolarHBondContact O-N 3.38Å; E194-L197 CarbonylContact O-C 3.56Å; E194-L197 PolarHBondContact O-N 3.37Å; E194-G198 PolarHBondContact O-N 2.76Å; E194-A199 HydrophobicContact CB-CB 4.09Å; E194-A199 HydrophobicContact CG-CB 4.45Å; E194-A199 WeakPolarHBondContact O-CB 3.26Å; E194-A199 PolarHBondContact O-N 3.26Å; E194-I206 HydrophobicContact CG-CG1 4.47Å; E194-I206 WeakPolarHBondContact OE1-CG1 3.1Å; E194-W258 HydrophobicContact CB-CH2 4.08Å; E194-W258 HydrophobicContact CB-CZ2 3.95Å; E194-M264 HydrophobicContact CB-SD 4.4Å; E194-P311 HydrophobicContact CB-CG 4.3Å; E194-P311 HydrophobicContact CG-CB 4.41Å; E194-P311 HydrophobicContact CG-CG 4.21Å; E194-R314 IonicContact OE1-CZ 3Å; E194-R314 IonicContact OE1-NH1 3.86Å; E194-R314 PolarHBondContact OE1-NH1 3.41Å; E194-R314 IonicContact OE1-NH2 3.12Å; E194-R314 PolarHBondContact OE1-NH2 2.88Å; E194-R314 IonicContact OE2-CZ 2.73Å; E194-R314 IonicContact OE2-NH1 2.73Å; E194-R314 IonicContact OE2-NH2 3.2Å; E194-R314 PolarHBondContact OE2-NH2 2.93Å
195L91.6Very high87Confident6 Ų638.3 Ų38.33%0.03119%0.187CC..Hα-helixtrans-72.4-34.1174.4-74.2178.8000112L178 R191 A192 P193 G198 Y202 I206 P237L178-L195 HydrophobicContact CD1-CD2 3.71Å; L178-L195 HydrophobicContact CD2-CD2 4.15Å; R191-L195 HydrophobicContact CG-CB 3.75Å; R191-L195 HydrophobicContact CG-CD1 3.7Å; R191-L195 HydrophobicContact CG-CG 4.42Å; A192-L195 WeakPolarHBondContact O-CB 3.1Å; A192-L195 PolarHBondContact O-N 3.06Å; P193-L195 VanDerWaalsContact C-N 3.25Å; P193-L195 PolarHBondContact O-N 3.11Å; L195-G198 PolarHBondContact O-N 3.07Å; L195-Y202 HydrophobicContact CD1-CD1 4.48Å; L195-Y202 HydrophobicContact CD1-CE1 4.13Å; L195-Y202 HydrophobicContact CD2-CD1 4.19Å; L195-Y202 HydrophobicContact CD2-CE1 4.06Å; L195-I206 HydrophobicContact CD1-CD1 3.89Å; L195-I206 HydrophobicContact CD1-CG1 4.21Å; L195-I206 HydrophobicContact CD1-CG2 3.62Å; L195-I206 HydrophobicContact CD2-CD1 3.75Å; L195-I206 HydrophobicContact CG-CD1 3.72Å; L195-I206 HydrophobicContact CG-CG1 4.17Å; L195-I206 HydrophobicContact CG-CG2 4.48Å; L195-P237 WeakPolarHBondContact O-CB 3.24Å
196L92.5Very high88.4Confident0 Ų036.3 Ų36.30%018%0.175CC..Hα-helixtrans-70.9-23.5174.4-57.4175.9000111.8R191 A192 P193 G198 P237 Y238 H239 Q242 L243 I246R191-L196 HydrophobicContact CB-CD2 4.38Å; R191-L196 HydrophobicContact CG-CD2 4.15Å; R191-L196 HydrophobicContact CG-CG 4.5Å; A192-L196 PolarHBondContact O-N 2.98Å; P193-L196 CarbonylContact O-C 3.51Å; P193-L196 WeakPolarHBondContact O-CB 3.37Å; P193-L196 PolarHBondContact O-N 3.42Å; P193-L196 VanDerWaalsContact O-N 3.08Å; L196-G198 VanDerWaalsContact C-N 3.32Å; L196-P237 WeakPolarHBondContact CA-O 3.01Å; L196-Y238 WeakPolarHBondContact O-CA 3.49Å; L196-H239 HydrophobicContact CD2-CB 4.3Å; L196-Q242 HydrophobicContact CD1-CB 4.24Å; L196-Q242 HydrophobicContact CD1-CG 3.65Å; L196-Q242 HydrophobicContact CD2-CG 4.27Å; L196-L243 HydrophobicContact CB-CD1 4.33Å; L196-L243 HydrophobicContact CB-CD2 3.84Å; L196-L243 HydrophobicContact CB-CG 3.98Å; L196-L243 HydrophobicContact CD1-CD2 3.93Å; L196-L243 HydrophobicContact CD1-CG 4.07Å; L196-I246 HydrophobicContact CD1-CD1 3.56Å
197L93.6Very high90.1Very high1 Ų132.1 Ų32.11%0.00515%0.149CC..THydrogen-bonded Turntrans-93.612.9174.7-62.2176.8000113.4P193 E194 Y238 L243 W258 I261 M264 P265 E266 L270P193-L197 WeakPolarHBondContact O-CG 3.45Å; P193-L197 PolarHBondContact O-N 3.18Å; E194-L197 CarbonylContact O-C 3.56Å; E194-L197 PolarHBondContact O-N 3.37Å; L197-Y238 HydrophobicContact CD2-CE2 4.31Å; L197-L243 HydrophobicContact CD2-CD1 3.94Å; L197-L243 HydrophobicContact CD2-CD2 4.32Å; L197-L243 HydrophobicContact CG-CD2 4.44Å; L197-W258 HydrophobicContact CD1-CH2 3.74Å; L197-W258 HydrophobicContact CD1-CZ3 3.96Å; L197-I261 HydrophobicContact CD1-CD1 4.3Å; L197-I261 HydrophobicContact CD1-CG1 4.02Å; L197-M264 HydrophobicContact CB-CB 3.8Å; L197-M264 HydrophobicContact CB-CG 4.03Å; L197-M264 HydrophobicContact CD1-CB 4.47Å; L197-M264 HydrophobicContact CD1-CG 4.24Å; L197-P265 WeakPolarHBondContact O-CD 3.3Å; L197-E266 HydrophobicContact CD2-CB 4.5Å; L197-E266 PolarHBondContact O-N 3.27Å; L197-E266 VanDerWaalsContact O-N 3.12Å; L197-L270 HydrophobicContact CD1-CD2 4.19Å; L197-L270 HydrophobicContact CD2-CB 4Å; L197-L270 HydrophobicContact CD2-CD1 4.13Å; L197-L270 HydrophobicContact CD2-CD2 3.95Å; L197-L270 HydrophobicContact CD2-CG 4.24Å
198G89.4Confident91.3Very high8 Ų829.9 Ų29.98%0.08214%0.135CC..THydrogen-bonded Turntrans76.721171.600000114.8E194 L195 L196 R200 P265E194-G198 PolarHBondContact O-N 2.76Å; L195-G198 PolarHBondContact O-N 3.07Å; L196-G198 VanDerWaalsContact C-N 3.32Å; G198-R200 PolarHBondContact O-N 3.45Å; G198-P265 VanDerWaalsContact O-CG 3.27Å; G198-P265 WeakPolarHBondContact O-CG 3.25Å
199A88.5Confident91.9Very high20 Ų2029 Ų2917%0.16513%0.131CC..  trans-46.1141.8168.800000109.6L178 E194 M264L178-A199 WeakPolarHBondContact CD1-O 3.35Å; E194-A199 HydrophobicContact CB-CB 4.09Å; E194-A199 HydrophobicContact CG-CB 4.45Å; E194-A199 WeakPolarHBondContact O-CB 3.26Å; E194-A199 PolarHBondContact O-N 3.26Å; A199-M264 HydrophobicContact CB-SD 4.12Å
200R78.9Confident92.1Very high175 Ų17526.7 Ų26.766%0.6612%0.124SC*.SBendtrans-98.3-1.3-171.3-67.4-173.8-179.7-179.30.5114.6P177 L178 G198P177-R200 CarbonylContact C-O 3.57Å; P177-R200 WeakPolarHBondContact CA-O 3.39Å; L178-R200 VanDerWaalsContact CD1-C 3.41Å; L178-R200 PolarHBondContact N-O 3.27Å; G198-R200 PolarHBondContact O-N 3.45Å
201H79.7Confident92.3Very high72 Ų7225.6 Ų25.633%0.33312%0.119SC..BIsolated β-bridgetrans-132.5136-177.9-59.4-59000111.4L175 K176L175-H201 HydrophobicContact CB-CB 3.82Å; L175-H201 WeakPolarHBondContact CB-ND1 3.37Å; L175-H201 HydrophobicContact CD1-CB 3.74Å; L175-H201 HydrophobicContact CG-CB 4.31Å; L175-H201 PolarHBondContact O-CE1 3.32Å; L175-H201 VanDerWaalsContact O-CE1 3.31Å; L175-H201 PolarHBondContact O-ND1 3.05Å; K176-H201 PolarHBondContact O-ND1 2.87Å
202Y80.1Confident92.6Very high37 Ų3722.9 Ų22.915%0.14511%0.109CC..  trans-75.3139165.4-69.6-77000110.2R145 L178 D182 L195 I206R145-Y202 HydrophobicContact CB-CD1 4.31Å; R145-Y202 HydrophobicContact CB-CE1 4.12Å; R145-Y202 HydrophobicContact CG-CD1 3.9Å; R145-Y202 HydrophobicContact CG-CE1 4.18Å; R145-Y202 HydrophobicContact CG-CG 4.16Å; R145-Y202 VanDerWaalsContact NH1-CD2 3.34Å; L178-Y202 HydrophobicContact CD2-CD1 4.24Å; L178-Y202 HydrophobicContact CD2-CD2 3.64Å; L178-Y202 HydrophobicContact CD2-CE1 3.69Å; L178-Y202 HydrophobicContact CD2-CE2 3Å; L178-Y202 HydrophobicContact CD2-CG 4.23Å; L178-Y202 VanDerWaalsContact CD2-OH 3.31Å; L178-Y202 WeakPolarHBondContact CD2-OH 3.38Å; L178-Y202 HydrophobicContact CG-CD2 3.85Å; L178-Y202 HydrophobicContact CG-CE2 3.68Å; L178-Y202 HydrophobicContact CG-CG 4.46Å; D182-Y202 WeakPolarHBondContact OD2-CE2 3.18Å; D182-Y202 PolarHBondContact OD2-OH 3.45Å; L195-Y202 HydrophobicContact CD1-CD1 4.48Å; L195-Y202 HydrophobicContact CD1-CE1 4.13Å; L195-Y202 HydrophobicContact CD2-CD1 4.19Å; L195-Y202 HydrophobicContact CD2-CE1 4.06Å; Y202-I206 HydrophobicContact CD1-CD1 3.7Å; Y202-I206 HydrophobicContact CG-CD1 4.39Å
203T89.8Confident92.7Very high47 Ų4723 Ų2329%0.28811%0.109SC..  trans-130.5164.3177.8680000109.9A205 I206T203-A205 PolarHBondContact O-N 2.86Å; T203-A205 PolarHBondContact OG1-N 2.83Å; T203-I206 PolarHBondContact O-N 3.08Å
204K94.5Very high92.7Very high83 Ų8323 Ų2336%0.36111%0.11SC..Hα-helixtrans-53.6-36171-67.5-177.2179-171.50112.1H138 L143 F171 I206 D207 I208H138-K204 HydrophobicContact CB-CD 3.87Å; H138-K204 HydrophobicContact CB-CG 4.23Å; H138-K204 PolarHBondContact CE1-O 3.27Å; H138-K204 VanDerWaalsContact CE1-O 3.28Å; H138-K204 VanDerWaalsContact O-CE 3.23Å; H138-K204 WeakPolarHBondContact O-CE 3.49Å; H138-K204 PolarHBondContact O-NZ 3.05Å; L143-K204 HydrophobicContact CD2-CB 4.4Å; L143-K204 HydrophobicContact CD2-CG 3.86Å; F171-K204 HydrophobicContact CE1-CG 4.43Å; F171-K204 HydrophobicContact CZ-CD 4.31Å; F171-K204 HydrophobicContact CZ-CG 4.34Å; K204-I206 PolarHBondContact O-N 3.27Å; K204-D207 PolarHBondContact O-N 3.33Å; K204-I208 PolarHBondContact O-N 3.24Å
205A95.9Very high92.9Very high14 Ų1422.8 Ų22.812%0.11611%0.109CC..Hα-helixtrans-60.1-29.6-177.300000112.9T203 I208 W209 P311 R314T203-A205 PolarHBondContact O-N 2.86Å; T203-A205 PolarHBondContact OG1-N 2.83Å; A205-I208 PolarHBondContact O-N 3.05Å; A205-W209 PolarHBondContact O-N 3.48Å; A205-P311 HydrophobicContact CB-CB 3.82Å; A205-P311 WeakPolarHBondContact CB-O 3.39Å; A205-R314 HydrophobicContact CB-CB 4.47Å; A205-R314 VanDerWaalsContact O-CD 3.3Å; A205-R314 WeakPolarHBondContact O-CD 3.3Å; A205-R314 PolarHBondContact O-NH1 3.27Å
206I94.3Very high93.1Very high6 Ų622.5 Ų22.53%0.03111%0.107CC..Hα-helixtrans-64.1-44.7178.5-67.5166.2000110.9A192 E194 L195 Y202 T203 K204 I208 W209 A210A192-I206 HydrophobicContact CB-CB 4.49Å; A192-I206 HydrophobicContact CB-CG1 4.21Å; A192-I206 HydrophobicContact CB-CG2 4.45Å; E194-I206 HydrophobicContact CG-CG1 4.47Å; E194-I206 WeakPolarHBondContact OE1-CG1 3.1Å; L195-I206 HydrophobicContact CD1-CD1 3.89Å; L195-I206 HydrophobicContact CD1-CG1 4.21Å; L195-I206 HydrophobicContact CD1-CG2 3.62Å; L195-I206 HydrophobicContact CD2-CD1 3.75Å; L195-I206 HydrophobicContact CG-CD1 3.72Å; L195-I206 HydrophobicContact CG-CG1 4.17Å; L195-I206 HydrophobicContact CG-CG2 4.48Å; Y202-I206 HydrophobicContact CD1-CD1 3.7Å; Y202-I206 HydrophobicContact CG-CD1 4.39Å; T203-I206 PolarHBondContact O-N 3.08Å; K204-I206 PolarHBondContact O-N 3.27Å; I206-I208 VanDerWaalsContact C-N 3.29Å; I206-I208 PolarHBondContact O-N 3.35Å; I206-W209 PolarHBondContact O-N 3.34Å; I206-A210 PolarHBondContact O-N 3.3Å
207D96.4Very high93.3Very high2 Ų222.8 Ų22.81%0.01111%0.109CC..Hα-helixtrans-63.1-39.8175.4-70.5-23.1000110.3I134 H138 H144 R145 L147 K204 W209 A210 V211I134-D207 HydrophobicContact CG2-CB 4.37Å; H138-D207 IonicContact CD2-OD2 3.81Å; H138-D207 IonicContact CE1-OD2 3.61Å; H138-D207 IonicContact NE2-OD2 2.75Å; H138-D207 PolarHBondContact NE2-OD2 2.86Å; H144-D207 PolarHBondContact N-OD2 3.12Å; R145-D207 PolarHBondContact N-OD1 3.47Å; L147-D207 HydrophobicContact CD1-CB 3.81Å; K204-D207 PolarHBondContact O-N 3.33Å; D207-W209 PolarHBondContact O-N 2.81Å; D207-A210 WeakPolarHBondContact O-CB 3.49Å; D207-A210 PolarHBondContact O-N 2.84Å; D207-V211 WeakPolarHBondContact O-CG2 3.27Å; D207-V211 PolarHBondContact O-N 3.36Å
208I98.5Very high93.3Very high1 Ų123 Ų231%0.00511%0.109CC..Hα-helixtrans-63.5-39.8177.9-56.5-56.2000112.2I134 K204 A205 I206 A210 V211 G212 L306 R314 V315 A317I134-I208 HydrophobicContact CG2-CD1 4.16Å; K204-I208 PolarHBondContact O-N 3.24Å; A205-I208 PolarHBondContact O-N 3.05Å; I206-I208 VanDerWaalsContact C-N 3.29Å; I206-I208 PolarHBondContact O-N 3.35Å; I208-A210 VanDerWaalsContact C-N 3.32Å; I208-A210 PolarHBondContact O-N 3.1Å; I208-V211 WeakPolarHBondContact O-CB 3.37Å; I208-V211 PolarHBondContact O-N 3.02Å; I208-G212 PolarHBondContact O-N 2.87Å; I208-L306 HydrophobicContact CG2-CD2 3.47Å; I208-L306 VanDerWaalsContact CG2-CD2 3.47Å; I208-R314 HydrophobicContact CB-CG 4.4Å; I208-R314 HydrophobicContact CG2-CG 3.98Å; I208-V315 HydrophobicContact CG2-CG2 4.35Å; I208-V315 WeakPolarHBondContact CG2-O 3.31Å; I208-A317 HydrophobicContact CD1-CB 3.83Å
209W98.5Very high93.5Very high0 Ų024.7 Ų24.70%012%0.117CC..Hα-helixtrans-59.5-45.7174.1175.6-86.5000111.1R191 A192 P193 A205 I206 D207 V211 G212 C213 F225 I246 L307 M309R191-W209 PolarHBondContact O-NE1 3Å; A192-W209 VanDerWaalsContact CA-CD1 3.41Å; A192-W209 HydrophobicContact CB-CB 3.77Å; A192-W209 HydrophobicContact CB-CD2 4.29Å; A192-W209 HydrophobicContact CB-CG 3.68Å; P193-W209 HydrophobicContact CG-CE3 4.44Å; P193-W209 HydrophobicContact CG-CH2 4.07Å; P193-W209 HydrophobicContact CG-CZ2 4.39Å; P193-W209 HydrophobicContact CG-CZ3 4.09Å; A205-W209 PolarHBondContact O-N 3.48Å; I206-W209 PolarHBondContact O-N 3.34Å; D207-W209 PolarHBondContact O-N 2.81Å; W209-V211 VanDerWaalsContact C-N 3.32Å; W209-V211 PolarHBondContact O-N 2.69Å; W209-G212 WeakPolarHBondContact O-CA 3.32Å; W209-G212 PolarHBondContact O-N 3.01Å; W209-G212 VanDerWaalsContact O-N 3.1Å; W209-C213 PolarHBondContact NE1-SG 3.08Å; W209-C213 VanDerWaalsContact NE1-SG 3.37Å; W209-C213 PolarHBondContact O-N 3.29Å; W209-C213 PolarHBondContact O-SG 2.97Å; W209-F225 AromaticContact CE2-CE2 3.81Å; W209-F225 HydrophobicContact CH2-CE2 4.05Å; W209-F225 AromaticContact CH2-CZ 3.97Å; W209-F225 HydrophobicContact CH2-CZ 3.97Å; W209-F225 HydrophobicContact CZ2-CD2 4.03Å; W209-F225 AromaticContact CZ2-CE2 3.3Å; W209-F225 HydrophobicContact CZ2-CE2 3.3Å; W209-F225 AromaticContact CZ2-CZ 3.65Å; W209-F225 HydrophobicContact CZ2-CZ 3.65Å; W209-I246 HydrophobicContact CH2-CG2 4.25Å; W209-I246 HydrophobicContact CZ2-CD1 4.25Å; W209-I246 HydrophobicContact CZ2-CG1 4.43Å; W209-I246 HydrophobicContact CZ2-CG2 4.38Å; W209-L307 HydrophobicContact CD2-CD2 4.07Å; W209-L307 HydrophobicContact CE3-CD2 4.1Å; W209-L307 HydrophobicContact CZ3-CB 4.36Å; W209-L307 HydrophobicContact CZ3-CD2 4.34Å; W209-L307 WeakPolarHBondContact CZ3-O 3.49Å; W209-M309 HydrophobicContact CZ3-CG 4.43Å
210A97.9Very high93.7Very high4 Ų424.6 Ų24.63%0.03311%0.114CC..Hα-helixtrans-62.3-39177.100000112L147 Y190 I206 D207 I208 G212 C213 I214L147-A210 HydrophobicContact CB-CB 3.63Å; L147-A210 HydrophobicContact CD1-CB 4.42Å; Y190-A210 WeakPolarHBondContact O-CB 3.3Å; I206-A210 PolarHBondContact O-N 3.3Å; D207-A210 WeakPolarHBondContact O-CB 3.49Å; D207-A210 PolarHBondContact O-N 2.84Å; I208-A210 VanDerWaalsContact C-N 3.32Å; I208-A210 PolarHBondContact O-N 3.1Å; A210-G212 VanDerWaalsContact C-N 3.35Å; A210-G212 PolarHBondContact O-N 3.43Å; A210-C213 WeakPolarHBondContact O-CB 3.23Å; A210-C213 PolarHBondContact O-N 3.48Å; A210-I214 WeakPolarHBondContact O-CG1 3.23Å; A210-I214 PolarHBondContact O-N 2.94Å
211V98.6Very high94.4Very high0 Ų017.2 Ų17.20%09%0.089CC..Hα-helixtrans-61.1-42.1171.3174.90000111.4L127 I130 L131 I134 L147 D207 I208 W209 C213 I214 F215L127-V211 HydrophobicContact CD1-CG1 3.64Å; I130-V211 HydrophobicContact CG2-CG1 4.15Å; I130-V211 HydrophobicContact CG2-CG2 3.78Å; L131-V211 HydrophobicContact CD2-CG1 3.87Å; L131-V211 HydrophobicContact CG-CG1 4.29Å; I134-V211 HydrophobicContact CG1-CG2 4.18Å; L147-V211 HydrophobicContact CD1-CG2 3.89Å; D207-V211 WeakPolarHBondContact O-CG2 3.27Å; D207-V211 PolarHBondContact O-N 3.36Å; I208-V211 WeakPolarHBondContact O-CB 3.37Å; I208-V211 PolarHBondContact O-N 3.02Å; W209-V211 VanDerWaalsContact C-N 3.32Å; W209-V211 PolarHBondContact O-N 2.69Å; V211-C213 VanDerWaalsContact C-N 3.33Å; V211-C213 PolarHBondContact O-N 3.12Å; V211-I214 PolarHBondContact O-N 3.21Å; V211-F215 WeakPolarHBondContact O-CB 3.43Å; V211-F215 PolarHBondContact O-N 3.48Å
212G98.6Very high94.9Very high0 Ų018.5 Ų18.50%010%0.095CC..Hα-helixtrans-59.9-41.2173.400000112.8I208 W209 A210 F215 A216 L303I208-G212 PolarHBondContact O-N 2.87Å; W209-G212 WeakPolarHBondContact O-CA 3.32Å; W209-G212 PolarHBondContact O-N 3.01Å; W209-G212 VanDerWaalsContact O-N 3.1Å; A210-G212 VanDerWaalsContact C-N 3.35Å; A210-G212 PolarHBondContact O-N 3.43Å; G212-F215 PolarHBondContact O-N 3.2Å; G212-A216 PolarHBondContact O-N 3.22Å; G212-L303 WeakPolarHBondContact O-CD1 3.35Å
213C98.4Very high95.6Very high1 Ų118 Ų181%0.00710%0.096CC..Hα-helixtrans-63.1-46.1175.9-63.70000111.5Y190 W209 A210 V211 F215 A216 E217 I224 F225Y190-C213 HydrophobicContact CD1-CB 3.59Å; Y190-C213 HydrophobicContact CE1-CB 4.23Å; Y190-C213 HydrophobicContact CG-CB 4.49Å; W209-C213 PolarHBondContact NE1-SG 3.08Å; W209-C213 VanDerWaalsContact NE1-SG 3.37Å; W209-C213 PolarHBondContact O-N 3.29Å; W209-C213 PolarHBondContact O-SG 2.97Å; A210-C213 WeakPolarHBondContact O-CB 3.23Å; A210-C213 PolarHBondContact O-N 3.48Å; V211-C213 VanDerWaalsContact C-N 3.33Å; V211-C213 PolarHBondContact O-N 3.12Å; C213-F215 VanDerWaalsContact C-N 3.3Å; C213-F215 PolarHBondContact O-N 2.89Å; C213-A216 PolarHBondContact O-N 3.09Å; C213-E217 WeakPolarHBondContact O-CB 3.35Å; C213-E217 PolarHBondContact O-N 2.91Å; C213-I224 HydrophobicContact CB-CG2 4.25Å; C213-F225 VanDerWaalsContact SG-CD2 3.57Å; C213-F225 VanDerWaalsContact SG-CE2 3.51Å
214I97.3Very high95.9Very high1 Ų115.8 Ų15.81%0.0058%0.083CC..Hα-helixtrans-61.3-40.4175.4-68.5164.8000110.6L108 I130 L147 P149 I152 Y190 A210 V211 E217 L218L108-I214 HydrophobicContact CD2-CG2 3.34Å; I130-I214 HydrophobicContact CD1-CG2 4.13Å; L147-I214 HydrophobicContact CB-CD1 4.34Å; P149-I214 HydrophobicContact CG-CG1 4.3Å; I152-I214 HydrophobicContact CG1-CD1 4.13Å; Y190-I214 HydrophobicContact CD1-CG1 4.12Å; Y190-I214 HydrophobicContact CE1-CG1 4.13Å; A210-I214 WeakPolarHBondContact O-CG1 3.23Å; A210-I214 PolarHBondContact O-N 2.94Å; V211-I214 PolarHBondContact O-N 3.21Å; I214-E217 PolarHBondContact O-N 3.38Å; I214-L218 HydrophobicContact CG2-CD1 4.14Å; I214-L218 HydrophobicContact CG2-CG 4.48Å; I214-L218 WeakPolarHBondContact O-CG 3.5Å; I214-L218 PolarHBondContact O-N 3.32Å
215F97.7Very high96.1Very high0 Ų011.9 Ų11.90%07%0.066CC..Hα-helixtrans-65.8-44.1178.7-176.3-150.4000112.1V123 L127 V211 G212 C213 E217 L218 L219 A299 L302 L303 L306 Y325V123-F215 HydrophobicContact CG1-CD2 3.93Å; V123-F215 HydrophobicContact CG1-CE2 3.67Å; L127-F215 HydrophobicContact CD1-CB 3.94Å; L127-F215 HydrophobicContact CD1-CD2 4.43Å; L127-F215 HydrophobicContact CD1-CG 4.07Å; L127-F215 HydrophobicContact CD2-CB 4.49Å; L127-F215 HydrophobicContact CD2-CD1 3.69Å; L127-F215 HydrophobicContact CD2-CD2 3.75Å; L127-F215 HydrophobicContact CD2-CE1 3.69Å; L127-F215 HydrophobicContact CD2-CE2 3.76Å; L127-F215 HydrophobicContact CD2-CG 3.72Å; L127-F215 HydrophobicContact CD2-CZ 3.72Å; L127-F215 HydrophobicContact CG-CD2 4.45Å; L127-F215 HydrophobicContact CG-CG 4.44Å; V211-F215 WeakPolarHBondContact O-CB 3.43Å; V211-F215 PolarHBondContact O-N 3.48Å; G212-F215 PolarHBondContact O-N 3.2Å; C213-F215 VanDerWaalsContact C-N 3.3Å; C213-F215 PolarHBondContact O-N 2.89Å; F215-E217 VanDerWaalsContact C-N 3.28Å; F215-E217 PolarHBondContact O-N 3.23Å; F215-L218 PolarHBondContact O-N 3.37Å; F215-L219 HydrophobicContact CD2-CD1 4Å; F215-L219 HydrophobicContact CD2-CG 4.02Å; F215-L219 HydrophobicContact CE1-CD1 4.27Å; F215-L219 HydrophobicContact CE2-CD1 3.7Å; F215-L219 HydrophobicContact CE2-CD2 3.96Å; F215-L219 HydrophobicContact CE2-CG 3.78Å; F215-L219 HydrophobicContact CG-CD1 4.4Å; F215-L219 HydrophobicContact CZ-CD1 3.87Å; F215-L219 HydrophobicContact CZ-CG 4.41Å; F215-L219 VanDerWaalsContact O-CG 3.3Å; F215-L219 WeakPolarHBondContact O-CG 3.35Å; F215-L219 PolarHBondContact O-N 3.22Å; F215-A299 VanDerWaalsContact CE1-O 3.3Å; F215-A299 WeakPolarHBondContact CE1-O 3.34Å; F215-A299 HydrophobicContact CZ-CB 3.94Å; F215-L302 HydrophobicContact CE1-CB 4.38Å; F215-L302 HydrophobicContact CE1-CD2 4.36Å; F215-L302 HydrophobicContact CE1-CG 4.32Å; F215-L303 HydrophobicContact CB-CD1 4.14Å; F215-L303 HydrophobicContact CD1-CB 3.9Å; F215-L303 HydrophobicContact CD1-CD1 3.74Å; F215-L303 HydrophobicContact CD1-CG 4.4Å; F215-L303 HydrophobicContact CE1-CB 3.91Å; F215-L303 HydrophobicContact CG-CD1 4.24Å; F215-L306 HydrophobicContact CD1-CD1 3.9Å; F215-Y325 HydrophobicContact CE2-CE1 4.38Å; F215-Y325 AromaticContact CZ-CE1 3.95Å; F215-Y325 HydrophobicContact CZ-CE1 3.95Å
216A96.8Very high96Very high0 Ų015.5 Ų15.50%08%0.08CC..Hα-helixtrans-59.9-41.4173.200000111.7G212 C213 L219 T220 I224 L303G212-A216 PolarHBondContact O-N 3.22Å; C213-A216 PolarHBondContact O-N 3.09Å; A216-L219 PolarHBondContact O-N 3.17Å; A216-T220 WeakPolarHBondContact O-CB 3.32Å; A216-T220 WeakPolarHBondContact O-CG2 3.41Å; A216-T220 PolarHBondContact O-N 3.34Å; A216-T220 PolarHBondContact O-OG1 2.69Å; A216-I224 HydrophobicContact CB-CB 3.74Å; A216-I224 HydrophobicContact CB-CD1 3.63Å; A216-I224 HydrophobicContact CB-CG1 4.27Å; A216-I224 HydrophobicContact CB-CG2 3.8Å; A216-L303 HydrophobicContact CB-CD1 3.95Å; A216-L303 HydrophobicContact CB-CD2 4.06Å
217E95.7Very high95.6Very high7 Ų716 Ų163%0.0338%0.084CC..Hα-helixtrans-66-38.6177.4-165.8177.9163.100111.7I112 P149 Y190 C213 I214 F215 L219 T220 S221 P223I112-E217 HydrophobicContact CD1-CB 4.36Å; I112-E217 HydrophobicContact CD1-CG 3.87Å; I112-E217 HydrophobicContact CG2-CG 4.06Å; P149-E217 WeakPolarHBondContact CG-OE2 3.44Å; Y190-E217 WeakPolarHBondContact CE1-OE2 3.4Å; Y190-E217 PolarHBondContact OH-OE2 3.31Å; C213-E217 WeakPolarHBondContact O-CB 3.35Å; C213-E217 PolarHBondContact O-N 2.91Å; I214-E217 PolarHBondContact O-N 3.38Å; F215-E217 VanDerWaalsContact C-N 3.28Å; F215-E217 PolarHBondContact O-N 3.23Å; E217-L219 VanDerWaalsContact C-N 3.29Å; E217-L219 PolarHBondContact O-N 3.33Å; E217-T220 PolarHBondContact O-N 3.09Å; E217-S221 WeakPolarHBondContact O-CA 3.47Å; E217-S221 PolarHBondContact O-N 2.87Å; E217-P223 HydrophobicContact CG-CG 4.48Å
218L94.6Very high94.8Very high4 Ų426.3 Ų26.32%0.02112%0.123CC..Hα-helixtrans-64.2-33173.3-77.9169.7000113.4L108 I112 V123 L126 I214 F215L108-L218 HydrophobicContact CD1-CD1 4.5Å; L108-L218 HydrophobicContact CD1-CD2 3.53Å; L108-L218 HydrophobicContact CD1-CG 4.4Å; L108-L218 HydrophobicContact CD2-CD1 4.12Å; L108-L218 HydrophobicContact CD2-CD2 4.25Å; L108-L218 HydrophobicContact CD2-CG 4.27Å; L108-L218 HydrophobicContact CG-CD2 4.1Å; I112-L218 HydrophobicContact CD1-CD2 4.09Å; I112-L218 HydrophobicContact CD1-CG 4.38Å; I112-L218 HydrophobicContact CG1-CD2 3.78Å; V123-L218 HydrophobicContact CG1-CB 3.86Å; V123-L218 HydrophobicContact CG1-CD1 4.5Å; V123-L218 HydrophobicContact CG2-CB 4.19Å; L126-L218 HydrophobicContact CB-CD1 4.26Å; L126-L218 HydrophobicContact CD1-CD1 4.5Å; L126-L218 HydrophobicContact CD1-CD2 4.05Å; I214-L218 HydrophobicContact CG2-CD1 4.14Å; I214-L218 HydrophobicContact CG2-CG 4.48Å; I214-L218 WeakPolarHBondContact O-CG 3.5Å; I214-L218 PolarHBondContact O-N 3.32Å; F215-L218 PolarHBondContact O-N 3.37Å
219L93.7Very high93.2Very high45 Ų4532.3 Ų32.324%0.23615%0.151CC..Hα-helixtrans-77.4-32.4179.2-70.4170.2000112.9V123 F215 A216 E217 M288 V293 A299 L303V123-L219 HydrophobicContact CG1-CD2 4.04Å; V123-L219 HydrophobicContact CG1-CG 4.4Å; F215-L219 HydrophobicContact CD2-CD1 4Å; F215-L219 HydrophobicContact CD2-CG 4.02Å; F215-L219 HydrophobicContact CE1-CD1 4.27Å; F215-L219 HydrophobicContact CE2-CD1 3.7Å; F215-L219 HydrophobicContact CE2-CD2 3.96Å; F215-L219 HydrophobicContact CE2-CG 3.78Å; F215-L219 HydrophobicContact CG-CD1 4.4Å; F215-L219 HydrophobicContact CZ-CD1 3.87Å; F215-L219 HydrophobicContact CZ-CG 4.41Å; F215-L219 VanDerWaalsContact O-CG 3.3Å; F215-L219 WeakPolarHBondContact O-CG 3.35Å; F215-L219 PolarHBondContact O-N 3.22Å; A216-L219 PolarHBondContact O-N 3.17Å; E217-L219 VanDerWaalsContact C-N 3.29Å; E217-L219 PolarHBondContact O-N 3.33Å; L219-M288 HydrophobicContact CB-CE 4.18Å; L219-M288 HydrophobicContact CD1-CE 3.99Å; L219-V293 HydrophobicContact CB-CG2 4.22Å; L219-A299 HydrophobicContact CD2-CB 4.37Å; L219-L303 HydrophobicContact CD1-CD2 4.23Å
220T92.3Very high91.4Very high17 Ų1735.6 Ų35.610%0.10417%0.166CC..Hα-helixtrans-114.2-15.4-169.463.90000113.9A216 E217 E222 M288 H291A216-T220 WeakPolarHBondContact O-CB 3.32Å; A216-T220 WeakPolarHBondContact O-CG2 3.41Å; A216-T220 PolarHBondContact O-N 3.34Å; A216-T220 PolarHBondContact O-OG1 2.69Å; E217-T220 PolarHBondContact O-N 3.09Å; T220-E222 PolarHBondContact O-N 2.62Å; T220-E222 PolarHBondContact OG1-N 2.67Å; T220-E222 PolarHBondContact OG1-O 3.47Å; T220-E222 VanDerWaalsContact OG1-O 3.06Å; T220-M288 HydrophobicContact CG2-CE 3.76Å; T220-M288 HydrophobicContact CG2-SD 4.16Å; T220-H291 HydrophobicContact CG2-CB 3.52Å
221S92.2Very high89.2Confident21 Ų2143.4 Ų43.415%0.14721%0.207CC..SBendtrans56.721.6-168.9-560000115.3R116 E217R116-S221 WeakPolarHBondContact CA-OG 3.26Å; R116-S221 WeakPolarHBondContact O-CB 3.18Å; R116-S221 PolarHBondContact O-OG 3.14Å; E217-S221 WeakPolarHBondContact O-CA 3.47Å; E217-S221 PolarHBondContact O-N 2.87Å
222E91.6Very high87.1Confident99 Ų9945.2 Ų45.246%0.46322%0.217SC..SBendtrans-131.2133.7175.7-67.4-174.9-16700109.5T220 I224 H291T220-E222 PolarHBondContact O-N 2.62Å; T220-E222 PolarHBondContact OG1-N 2.67Å; T220-E222 PolarHBondContact OG1-O 3.47Å; T220-E222 VanDerWaalsContact OG1-O 3.06Å; E222-I224 PolarHBondContact O-N 2.81Å; E222-H291 IonicContact OE2-CE1 3.91Å; E222-H291 PolarHBondContact OE2-CE1 3.35Å; E222-H291 VanDerWaalsContact OE2-CE1 3.24Å
223P94.3Very high85Confident25 Ų2554.9 Ų54.916%0.16226%0.259CS..  trans-61.6116.9175.9-16.326.7000109.3W189 E217 F225 H226W189-P223 HydrophobicContact CD2-CB 4.5Å; W189-P223 HydrophobicContact CE3-CB 3.84Å; W189-P223 HydrophobicContact CE3-CG 3.96Å; W189-P223 HydrophobicContact CZ3-CB 4.3Å; W189-P223 HydrophobicContact CZ3-CG 3.9Å; E217-P223 HydrophobicContact CG-CG 4.48Å; P223-F225 PolarHBondContact O-N 3.27Å; P223-F225 VanDerWaalsContact O-N 3.17Å; P223-H226 HydrophobicContact CB-CB 4.09Å; P223-H226 HydrophobicContact CG-CB 4.5Å; P223-H226 VanDerWaalsContact O-CB 3.29Å; P223-H226 WeakPolarHBondContact O-CB 3.25Å; P223-H226 PolarHBondContact O-N 3.1Å
224I97.1Very high83.2Confident2 Ų259.2 Ų59.21%0.0129%0.285CS..THydrogen-bonded Turntrans-55.3-40.7-171.2-179161.8000112.4C213 A216 E222 R245 V249 L284 Y287 M288 L307C213-I224 HydrophobicContact CB-CG2 4.25Å; A216-I224 HydrophobicContact CB-CB 3.74Å; A216-I224 HydrophobicContact CB-CD1 3.63Å; A216-I224 HydrophobicContact CB-CG1 4.27Å; A216-I224 HydrophobicContact CB-CG2 3.8Å; E222-I224 PolarHBondContact O-N 2.81Å; I224-R245 PolarHBondContact O-NE 3.4Å; I224-R245 VanDerWaalsContact O-NE 3.09Å; I224-R245 PolarHBondContact O-NH2 3.44Å; I224-V249 HydrophobicContact CD1-CG1 3.84Å; I224-V249 HydrophobicContact CG1-CG1 3.74Å; I224-L284 HydrophobicContact CD1-CD1 3.62Å; I224-Y287 HydrophobicContact CB-CE1 4.39Å; I224-Y287 HydrophobicContact CD1-CD1 4.15Å; I224-Y287 HydrophobicContact CD1-CE1 4.05Å; I224-Y287 HydrophobicContact CG1-CD1 4.21Å; I224-Y287 HydrophobicContact CG1-CE1 3.73Å; I224-M288 HydrophobicContact CD1-SD 4.45Å; I224-L307 HydrophobicContact CD1-CD1 3.84Å
225F97Very high81.9Confident1 Ų165.4 Ų65.40%0.00433%0.329CS..THydrogen-bonded Turntrans-106.534.9178.1-49.5-57.3000113W209 C213 P223 C227 Q242 R245 I246 V249 M250 L307W209-F225 AromaticContact CE2-CE2 3.81Å; W209-F225 HydrophobicContact CH2-CE2 4.05Å; W209-F225 AromaticContact CH2-CZ 3.97Å; W209-F225 HydrophobicContact CH2-CZ 3.97Å; W209-F225 HydrophobicContact CZ2-CD2 4.03Å; W209-F225 AromaticContact CZ2-CE2 3.3Å; W209-F225 HydrophobicContact CZ2-CE2 3.3Å; W209-F225 AromaticContact CZ2-CZ 3.65Å; W209-F225 HydrophobicContact CZ2-CZ 3.65Å; C213-F225 VanDerWaalsContact SG-CD2 3.57Å; C213-F225 VanDerWaalsContact SG-CE2 3.51Å; P223-F225 PolarHBondContact O-N 3.27Å; P223-F225 VanDerWaalsContact O-N 3.17Å; F225-C227 PolarHBondContact O-N 2.91Å; F225-C227 VanDerWaalsContact O-N 3.12Å; F225-Q242 PolarHBondContact O-NE2 2.85Å; F225-R245 HydrophobicContact CB-CG 4.23Å; F225-I246 HydrophobicContact CB-CG1 4.3Å; F225-I246 HydrophobicContact CD1-CB 4.32Å; F225-I246 HydrophobicContact CD1-CG1 3.79Å; F225-I246 HydrophobicContact CD2-CG1 4.35Å; F225-I246 HydrophobicContact CE1-CB 4.43Å; F225-I246 HydrophobicContact CE1-CG1 4.17Å; F225-I246 HydrophobicContact CE1-CG2 4.42Å; F225-I246 HydrophobicContact CG-CG1 3.89Å; F225-V249 HydrophobicContact CD1-CB 4.17Å; F225-V249 HydrophobicContact CD1-CG1 4.41Å; F225-V249 HydrophobicContact CD1-CG2 4.2Å; F225-V249 HydrophobicContact CE1-CB 3.82Å; F225-V249 HydrophobicContact CE1-CG1 3.77Å; F225-V249 HydrophobicContact CE1-CG2 4.33Å; F225-M250 HydrophobicContact CE1-CG 3.84Å; F225-M250 HydrophobicContact CE1-SD 4.18Å; F225-M250 HydrophobicContact CZ-CG 3.96Å; F225-M250 HydrophobicContact CZ-SD 3.96Å; F225-L307 HydrophobicContact CE2-CD1 4.44Å; F225-L307 HydrophobicContact CE2-CD2 4.11Å; F225-L307 HydrophobicContact CZ-CD1 4.24Å; F225-L307 HydrophobicContact CZ-CD2 4.48Å
226H93.8Very high81Confident89 Ų8968.1 Ų68.141%0.41234%0.343SS..  trans-53.7118.8174.1178.2-83.1000111.1W189 P223W189-H226 AromaticContact CE2-CD2 3.96Å; W189-H226 AromaticContact CH2-CD2 3.58Å; W189-H226 AromaticContact CH2-NE2 3.97Å; W189-H226 AromaticContact CZ2-CD2 3.47Å; W189-H226 VanDerWaalsContact CZ2-CD2 3.47Å; W189-H226 WeakPolarHBondContact CZ2-CD2 3.19Å; W189-H226 AromaticContact CZ2-NE2 3.75Å; P223-H226 HydrophobicContact CB-CB 4.09Å; P223-H226 HydrophobicContact CG-CB 4.5Å; P223-H226 VanDerWaalsContact O-CB 3.29Å; P223-H226 WeakPolarHBondContact O-CB 3.25Å; P223-H226 PolarHBondContact O-N 3.1Å
227C86.9Confident80.3Confident16 Ų1669.9 Ų69.911%0.10836%0.355CS..  trans-125.1143.9174.5-1740000108.9W189 F225 D241W189-C227 PolarHBondContact NE1-O 3.1Å; F225-C227 PolarHBondContact O-N 2.91Å; F225-C227 VanDerWaalsContact O-N 3.12Å; C227-D241 WeakPolarHBondContact SG-CB 3.45Å
228R79Confident80Confident219 Ų21970 Ų7083%0.82636%0.355SS*.  trans-59.8142.4171.7-69-177.2178.1179.90108.1E230R228-E230 PolarHBondContact O-N 2.89Å
229Q66Low79.7Confident127 Ų12770.1 Ų70.159%0.59336%0.355SS*.  trans-63.3109.7169-78.1174.1-5.700106.8
230E59.6Low79.7Confident70 Ų7072 Ų7233%0.32736%0.363SS..  trans-63.5146.7155.7-69.5173.7-149.700106.8R228 I232 D241R228-E230 PolarHBondContact O-N 2.89Å; E230-I232 HydrophobicContact CB-CD1 3.54Å; E230-I232 HydrophobicContact CB-CG1 3.45Å; E230-I232 VanDerWaalsContact CB-CG1 3.45Å; E230-I232 HydrophobicContact CG-CD1 4.29Å; E230-I232 PolarHBondContact O-N 3.43Å; E230-D241 WeakPolarHBondContact OE1-CB 3.46Å; E230-D241 PolarHBondContact OE1-N 3.24Å
231D52.5Low79.6Confident168 Ų16874.9 Ų74.990%0.89838%0.377SS*.  trans-67.264.1170.4-76.9-45.3000110K233D231-K233 PolarHBondContact O-N 2.92Å; D231-K233 VanDerWaalsContact O-N 3.07Å
232I54.8Low79.7Confident38 Ų3874.1 Ų74.120%0.19537%0.372CS..  trans-83.196.7-174.2-66.3158.3000107.8F188 E230 T234 H239F188-I232 HydrophobicContact CD2-CD1 4.28Å; F188-I232 HydrophobicContact CE2-CD1 3.72Å; E230-I232 HydrophobicContact CB-CD1 3.54Å; E230-I232 HydrophobicContact CB-CG1 3.45Å; E230-I232 VanDerWaalsContact CB-CG1 3.45Å; E230-I232 HydrophobicContact CG-CD1 4.29Å; E230-I232 PolarHBondContact O-N 3.43Å; I232-T234 VanDerWaalsContact C-N 3.3Å; I232-T234 WeakPolarHBondContact CG2-O 3.47Å; I232-H239 WeakPolarHBondContact CD1-ND1 3.5Å
233K54.4Low79.9Confident203 Ų20369.4 Ų69.488%0.88335%0.35SS*.  trans-89.55.1162.4-66.5-177.3-179.6175.80112.5D231D231-K233 PolarHBondContact O-N 2.92Å; D231-K233 VanDerWaalsContact O-N 3.07Å
234T60.8Low79.9Confident91 Ų9171 Ų7156%0.55836%0.357SS*.  trans-97.2136.8-172.671.30000110.9I232 N236I232-T234 VanDerWaalsContact C-N 3.3Å; I232-T234 WeakPolarHBondContact CG2-O 3.47Å; T234-N236 PolarHBondContact O-N 3.47Å
235S68.6Low79.9Confident132 Ų13274.3 Ų74.392%0.92337%0.369SS*.  trans-76.912.1172.956.90000112.9
236N79.7Confident80Confident57 Ų5774.3 Ų74.331%0.30537%0.369SS..  trans-75.5129.5-177.7-174.4-14.1000109.4T234 Y238 H239T234-N236 PolarHBondContact O-N 3.47Å; N236-Y238 PolarHBondContact O-N 3.2Å; N236-Y238 WeakPolarHBondContact OD1-CB 3.38Å; N236-Y238 PolarHBondContact OD1-N 3.18Å; N236-H239 PolarHBondContact O-CE1 3.45Å; N236-H239 PolarHBondContact O-NE2 2.88Å
237P82.5Confident80.1Confident37 Ų3770.2 Ų70.224%0.2435%0.35CS..SBendtrans-62.8-25.1174.225.2-35.7000114.3L195 L196 H239L195-P237 WeakPolarHBondContact O-CB 3.24Å; L196-P237 WeakPolarHBondContact CA-O 3.01Å; P237-H239 PolarHBondContact O-CD2 3.17Å; P237-H239 PolarHBondContact O-N 3.32Å
238Y89Confident80.6Confident10 Ų1072.7 Ų72.74%0.03936%0.363CS..  trans-80.9113.3-174.8-169.1-90.4000112.8L196 L197 N236 Q240 L243 E266 K269 L270 D273 F274L196-Y238 WeakPolarHBondContact O-CA 3.49Å; L197-Y238 HydrophobicContact CD2-CE2 4.31Å; N236-Y238 PolarHBondContact O-N 3.2Å; N236-Y238 WeakPolarHBondContact OD1-CB 3.38Å; N236-Y238 PolarHBondContact OD1-N 3.18Å; Y238-Q240 HydrophobicContact CE1-CB 4.06Å; Y238-L243 HydrophobicContact CD2-CD1 3.94Å; Y238-L243 HydrophobicContact CE2-CD1 3.56Å; Y238-E266 HydrophobicContact CD2-CB 3.59Å; Y238-E266 HydrophobicContact CD2-CG 4.02Å; Y238-E266 HydrophobicContact CE2-CB 4.17Å; Y238-E266 HydrophobicContact CG-CB 4.48Å; Y238-K269 HydrophobicContact CD1-CD 3.61Å; Y238-K269 VanDerWaalsContact CD1-CE 3.42Å; Y238-K269 HydrophobicContact CD1-CG 4.36Å; Y238-K269 VanDerWaalsContact CD1-NZ 3.28Å; Y238-K269 HydrophobicContact CD2-CD 4.24Å; Y238-K269 HydrophobicContact CE1-CD 3.59Å; Y238-K269 HydrophobicContact CE1-CG 3.86Å; Y238-K269 HydrophobicContact CE2-CB 4.24Å; Y238-K269 HydrophobicContact CE2-CD 4.24Å; Y238-K269 HydrophobicContact CE2-CG 4.18Å; Y238-K269 HydrophobicContact CG-CD 3.89Å; Y238-L270 HydrophobicContact CE2-CB 4.41Å; Y238-L270 WeakPolarHBondContact OH-CA 3.47Å; Y238-L270 PolarHBondContact OH-N 3.45Å; Y238-D273 VanDerWaalsContact CE1-OD2 3.27Å; Y238-D273 WeakPolarHBondContact CE1-OD2 3.45Å; Y238-D273 PolarHBondContact OH-OD2 3.32Å; Y238-F274 WeakPolarHBondContact OH-CE2 3.29Å
239H88.7Confident81.5Confident5 Ų562.3 Ų62.32%0.02332%0.324CS..  trans-119.8105.4177.1-57.3-63.8000109.9F188 L196 I232 N236 P237 Q242 L243F188-H239 AromaticContact CD1-CD2 3.9Å; F188-H239 AromaticContact CD1-NE2 3.91Å; F188-H239 AromaticContact CD2-CD2 3.92Å; F188-H239 AromaticContact CE1-CD2 3.86Å; F188-H239 AromaticContact CE1-NE2 3.37Å; F188-H239 WeakPolarHBondContact CE1-NE2 3.45Å; F188-H239 AromaticContact CE2-CD2 3.9Å; F188-H239 AromaticContact CE2-CE1 3.6Å; F188-H239 AromaticContact CE2-ND1 3.86Å; F188-H239 AromaticContact CE2-NE2 3.61Å; F188-H239 AromaticContact CG-CD2 3.92Å; F188-H239 AromaticContact CZ-CD2 3.86Å; F188-H239 AromaticContact CZ-CE1 3.47Å; F188-H239 VanDerWaalsContact CZ-CE1 3.47Å; F188-H239 WeakPolarHBondContact CZ-CE1 3.48Å; F188-H239 AromaticContact CZ-NE2 3.2Å; F188-H239 WeakPolarHBondContact CZ-NE2 3.43Å; L196-H239 HydrophobicContact CD2-CB 4.3Å; I232-H239 WeakPolarHBondContact CD1-ND1 3.5Å; N236-H239 PolarHBondContact O-CE1 3.45Å; N236-H239 PolarHBondContact O-NE2 2.88Å; P237-H239 PolarHBondContact O-CD2 3.17Å; P237-H239 PolarHBondContact O-N 3.32Å; H239-Q242 HydrophobicContact CB-CB 3.94Å; H239-Q242 PolarHBondContact O-N 3.37Å; H239-L243 PolarHBondContact O-N 2.92Å; H239-L243 VanDerWaalsContact O-N 3.15Å
240Q92Very high83.1Confident85 Ų8557.6 Ų57.640%0.39730%0.302SS..Hα-helixtrans-65.6-50.4-170.9-174.1178-12.600111.6Y238 Q242 L243 D244 F274Y238-Q240 HydrophobicContact CE1-CB 4.06Å; Q240-Q242 PolarHBondContact O-N 2.92Å; Q240-L243 PolarHBondContact O-N 2.93Å; Q240-L243 VanDerWaalsContact O-N 3.14Å; Q240-D244 PolarHBondContact O-N 2.8Å; Q240-F274 HydrophobicContact CG-CE2 3.99Å; Q240-F274 HydrophobicContact CG-CZ 3.76Å; Q240-F274 WeakPolarHBondContact O-CZ 3.35Å
241D91.7Very high84.9Confident77 Ų7754.6 Ų54.641%0.41229%0.29SS..Hα-helixtrans-64.9-31.3-177.2-66.5-11.1000111.8C227 E230 R245C227-D241 WeakPolarHBondContact SG-CB 3.45Å; E230-D241 WeakPolarHBondContact OE1-CB 3.46Å; E230-D241 PolarHBondContact OE1-N 3.24Å; D241-R245 WeakPolarHBondContact O-CB 3.21Å; D241-R245 PolarHBondContact O-N 3.09Å
242Q93.4Very high87Confident6 Ų648 Ų483%0.02825%0.253CS..Hα-helixtrans-68.7-41.5176.1-172.461.676.200112.1F188 L196 F225 H239 Q240 R245 I246F188-Q242 HydrophobicContact CB-CG 3.9Å; L196-Q242 HydrophobicContact CD1-CB 4.24Å; L196-Q242 HydrophobicContact CD1-CG 3.65Å; L196-Q242 HydrophobicContact CD2-CG 4.27Å; F225-Q242 PolarHBondContact O-NE2 2.85Å; H239-Q242 HydrophobicContact CB-CB 3.94Å; H239-Q242 PolarHBondContact O-N 3.37Å; Q240-Q242 PolarHBondContact O-N 2.92Å; Q242-R245 PolarHBondContact O-N 3.19Å; Q242-I246 WeakPolarHBondContact O-CG1 3.41Å; Q242-I246 PolarHBondContact O-N 3.17Å; Q242-I246 VanDerWaalsContact O-N 3.09Å
243L95.6Very high88.9Confident0 Ų046.3 Ų46.30%025%0.245CC..Hα-helixtrans-66.1-43.9174.3-78167.9000111.1L196 L197 Y238 H239 Q240 R245 I246 F247 L270 F274L196-L243 HydrophobicContact CB-CD1 4.33Å; L196-L243 HydrophobicContact CB-CD2 3.84Å; L196-L243 HydrophobicContact CB-CG 3.98Å; L196-L243 HydrophobicContact CD1-CD2 3.93Å; L196-L243 HydrophobicContact CD1-CG 4.07Å; L197-L243 HydrophobicContact CD2-CD1 3.94Å; L197-L243 HydrophobicContact CD2-CD2 4.32Å; L197-L243 HydrophobicContact CG-CD2 4.44Å; Y238-L243 HydrophobicContact CD2-CD1 3.94Å; Y238-L243 HydrophobicContact CE2-CD1 3.56Å; H239-L243 PolarHBondContact O-N 2.92Å; H239-L243 VanDerWaalsContact O-N 3.15Å; Q240-L243 PolarHBondContact O-N 2.93Å; Q240-L243 VanDerWaalsContact O-N 3.14Å; L243-R245 VanDerWaalsContact C-N 3.29Å; L243-R245 PolarHBondContact O-N 3.19Å; L243-I246 WeakPolarHBondContact O-CB 3.01Å; L243-I246 PolarHBondContact O-N 3.41Å; L243-I246 VanDerWaalsContact O-N 3.09Å; L243-F247 HydrophobicContact CB-CE2 3.93Å; L243-F247 HydrophobicContact CB-CZ 4.41Å; L243-F247 HydrophobicContact CD2-CE2 4.38Å; L243-F247 HydrophobicContact CD2-CZ 4.02Å; L243-F247 WeakPolarHBondContact O-CD2 3.17Å; L243-F247 WeakPolarHBondContact O-CG 3.23Å; L243-F247 PolarHBondContact O-N 3.18Å; L243-L270 HydrophobicContact CD1-CD1 4.41Å; L243-F274 HydrophobicContact CB-CE2 4.22Å; L243-F274 HydrophobicContact CB-CZ 3.9Å
244D95.8Very high90.7Very high59 Ų5940 Ų4032%0.31622%0.22SC..Hα-helixtrans-54.1-47.2174-178.480.3000111.3Q240 I246 F247 N248 F274 Y279Q240-D244 PolarHBondContact O-N 2.8Å; D244-I246 PolarHBondContact O-N 3.15Å; D244-F247 PolarHBondContact O-N 3.04Å; D244-N248 WeakPolarHBondContact O-CB 3.37Å; D244-N248 PolarHBondContact O-N 3.33Å; D244-N248 PolarHBondContact O-ND2 3.16Å; D244-N248 PolarHBondContact OD2-ND2 3.28Å; D244-F274 HydrophobicContact CB-CE1 3.73Å; D244-F274 HydrophobicContact CB-CZ 4.14Å; D244-Y279 PolarHBondContact OD1-OH 2.75Å
245R96.6Very high92.1Very high71 Ų7140.7 Ų40.727%0.26822%0.217SC..Hα-helixtrans-61.1-42.7176177.359.1-172.9-168.7-3.1112.3I224 F225 D241 Q242 L243 N248 V249 Y287I224-R245 PolarHBondContact O-NE 3.4Å; I224-R245 VanDerWaalsContact O-NE 3.09Å; I224-R245 PolarHBondContact O-NH2 3.44Å; F225-R245 HydrophobicContact CB-CG 4.23Å; D241-R245 WeakPolarHBondContact O-CB 3.21Å; D241-R245 PolarHBondContact O-N 3.09Å; Q242-R245 PolarHBondContact O-N 3.19Å; L243-R245 VanDerWaalsContact C-N 3.29Å; L243-R245 PolarHBondContact O-N 3.19Å; R245-N248 PolarHBondContact O-N 2.86Å; R245-V249 WeakPolarHBondContact O-CG2 3.47Å; R245-V249 PolarHBondContact O-N 3.28Å; R245-Y287 PolarHBondContact NH2-OH 2.76Å
246I97.7Very high93.3Very high1 Ų141.6 Ų41.61%0.00521%0.205CC..Hα-helixtrans-60.4-46.6176.6-70.4166.6000110.1L196 W209 F225 Q242 L243 D244 V249 M250L196-I246 HydrophobicContact CD1-CD1 3.56Å; W209-I246 HydrophobicContact CH2-CG2 4.25Å; W209-I246 HydrophobicContact CZ2-CD1 4.25Å; W209-I246 HydrophobicContact CZ2-CG1 4.43Å; W209-I246 HydrophobicContact CZ2-CG2 4.38Å; F225-I246 HydrophobicContact CB-CG1 4.3Å; F225-I246 HydrophobicContact CD1-CB 4.32Å; F225-I246 HydrophobicContact CD1-CG1 3.79Å; F225-I246 HydrophobicContact CD2-CG1 4.35Å; F225-I246 HydrophobicContact CE1-CB 4.43Å; F225-I246 HydrophobicContact CE1-CG1 4.17Å; F225-I246 HydrophobicContact CE1-CG2 4.42Å; F225-I246 HydrophobicContact CG-CG1 3.89Å; Q242-I246 WeakPolarHBondContact O-CG1 3.41Å; Q242-I246 PolarHBondContact O-N 3.17Å; Q242-I246 VanDerWaalsContact O-N 3.09Å; L243-I246 WeakPolarHBondContact O-CB 3.01Å; L243-I246 PolarHBondContact O-N 3.41Å; L243-I246 VanDerWaalsContact O-N 3.09Å; D244-I246 PolarHBondContact O-N 3.15Å; I246-V249 PolarHBondContact O-N 3.46Å; I246-V249 VanDerWaalsContact O-N 3.17Å; I246-M250 HydrophobicContact CG2-CG 4.07Å; I246-M250 WeakPolarHBondContact O-CB 3.2Å; I246-M250 WeakPolarHBondContact O-CG 3.37Å; I246-M250 PolarHBondContact O-N 3.19Å
247F97.8Very high94Very high2 Ų242 Ų421%0.00921%0.207CC..Hα-helixtrans-70.5-32.4-178.7-57-39.7000113.4L243 D244 V249 G251 F252 P253 L270 F274 Y279 C282L243-F247 HydrophobicContact CB-CE2 3.93Å; L243-F247 HydrophobicContact CB-CZ 4.41Å; L243-F247 HydrophobicContact CD2-CE2 4.38Å; L243-F247 HydrophobicContact CD2-CZ 4.02Å; L243-F247 WeakPolarHBondContact O-CD2 3.17Å; L243-F247 WeakPolarHBondContact O-CG 3.23Å; L243-F247 PolarHBondContact O-N 3.18Å; D244-F247 PolarHBondContact O-N 3.04Å; F247-V249 PolarHBondContact O-N 3.43Å; F247-G251 WeakPolarHBondContact O-CA 3.48Å; F247-G251 PolarHBondContact O-N 2.91Å; F247-F252 HydrophobicContact CD1-CD2 4.25Å; F247-F252 AromaticContact CD2-CD2 3.94Å; F247-F252 HydrophobicContact CD2-CD2 3.94Å; F247-F252 HydrophobicContact CD2-CE2 4.32Å; F247-F252 HydrophobicContact CE1-CD2 4.35Å; F247-F252 HydrophobicContact CE2-CD2 4.04Å; F247-F252 AromaticContact CE2-CE2 3.99Å; F247-F252 HydrophobicContact CE2-CE2 3.99Å; F247-F252 HydrophobicContact CG-CD2 4.05Å; F247-F252 HydrophobicContact CZ-CD2 4.25Å; F247-F252 HydrophobicContact CZ-CE2 4.15Å; F247-P253 HydrophobicContact CE1-CG 4.49Å; F247-L270 HydrophobicContact CE2-CD1 3.58Å; F247-L270 HydrophobicContact CZ-CD1 3.67Å; F247-F274 AromaticContact CD2-CD1 3.75Å; F247-F274 HydrophobicContact CD2-CD1 3.75Å; F247-F274 AromaticContact CD2-CE1 3.93Å; F247-F274 HydrophobicContact CD2-CE1 3.93Å; F247-F274 HydrophobicContact CD2-CG 4.3Å; F247-F274 AromaticContact CE2-CD1 3.98Å; F247-F274 HydrophobicContact CE2-CD1 3.98Å; F247-F274 HydrophobicContact CE2-CD2 4.4Å; F247-F274 HydrophobicContact CE2-CE1 4.18Å; F247-F274 HydrophobicContact CE2-CG 4.11Å; F247-F274 HydrophobicContact CE2-CZ 4.43Å; F247-Y279 HydrophobicContact CB-CD1 3.58Å; F247-Y279 HydrophobicContact CB-CD2 4.13Å; F247-Y279 HydrophobicContact CB-CE1 3.65Å; F247-Y279 HydrophobicContact CB-CE2 4.2Å; F247-Y279 HydrophobicContact CB-CG 3.83Å; F247-Y279 HydrophobicContact CD2-CE2 4.46Å; F247-C282 WeakPolarHBondContact O-CB 3.26Å
248N97.3Very high94.6Very high69 Ų6940.3 Ų40.337%0.36920%0.196SC..Hα-helixtrans-63.1-26.8171.8-85.8-60.5000113.1D244 R245 C282D244-N248 WeakPolarHBondContact O-CB 3.37Å; D244-N248 PolarHBondContact O-N 3.33Å; D244-N248 PolarHBondContact O-ND2 3.16Å; D244-N248 PolarHBondContact OD2-ND2 3.28Å; R245-N248 PolarHBondContact O-N 2.86Å; N248-C282 WeakPolarHBondContact O-CB 3.46Å
249V97.9Very high94.9Very high1 Ų146.1 Ų46.11%0.00622%0.223CC..Hα-helixtrans-92.7-49.1176.9173.80000111.7I224 F225 R245 I246 F247 N283 L284 Y287I224-V249 HydrophobicContact CD1-CG1 3.84Å; I224-V249 HydrophobicContact CG1-CG1 3.74Å; F225-V249 HydrophobicContact CD1-CB 4.17Å; F225-V249 HydrophobicContact CD1-CG1 4.41Å; F225-V249 HydrophobicContact CD1-CG2 4.2Å; F225-V249 HydrophobicContact CE1-CB 3.82Å; F225-V249 HydrophobicContact CE1-CG1 3.77Å; F225-V249 HydrophobicContact CE1-CG2 4.33Å; R245-V249 WeakPolarHBondContact O-CG2 3.47Å; R245-V249 PolarHBondContact O-N 3.28Å; I246-V249 PolarHBondContact O-N 3.46Å; I246-V249 VanDerWaalsContact O-N 3.17Å; F247-V249 PolarHBondContact O-N 3.43Å; V249-N283 CarbonylContact O-C 3.6Å; V249-N283 WeakPolarHBondContact O-CA 3.33Å; V249-N283 VanDerWaalsContact O-O 3.11Å; V249-L284 HydrophobicContact CG1-CD1 4.17Å; V249-L284 WeakPolarHBondContact O-CA 3.43Å; V249-L284 PolarHBondContact O-N 2.85Å; V249-L284 VanDerWaalsContact O-N 3.09Å; V249-Y287 HydrophobicContact CB-CD2 4.38Å; V249-Y287 HydrophobicContact CG1-CD1 4.09Å; V249-Y287 HydrophobicContact CG1-CD2 4.07Å; V249-Y287 HydrophobicContact CG1-CG 3.8Å; V249-Y287 HydrophobicContact CG2-CD2 3.79Å; V249-Y287 HydrophobicContact CG2-CE2 3.85Å; V249-Y287 HydrophobicContact CG2-CG 4.38Å
250M98Very high95.2Very high27 Ų2748.8 Ų48.813%0.13324%0.238CC..Hα-helixtrans-90.8-19.9-169.7-60.4-58.9-64.200113.6F225 I246 L284 L307 M309F225-M250 HydrophobicContact CE1-CG 3.84Å; F225-M250 HydrophobicContact CE1-SD 4.18Å; F225-M250 HydrophobicContact CZ-CG 3.96Å; F225-M250 HydrophobicContact CZ-SD 3.96Å; I246-M250 HydrophobicContact CG2-CG 4.07Å; I246-M250 WeakPolarHBondContact O-CB 3.2Å; I246-M250 WeakPolarHBondContact O-CG 3.37Å; I246-M250 PolarHBondContact O-N 3.19Å; M250-L284 HydrophobicContact CE-CB 4.16Å; M250-L284 HydrophobicContact CE-CD2 4.1Å; M250-L284 HydrophobicContact SD-CB 3.94Å; M250-L284 HydrophobicContact SD-CD1 3.82Å; M250-L284 HydrophobicContact SD-CD2 4.25Å; M250-L284 HydrophobicContact SD-CG 4.2Å; M250-L307 HydrophobicContact CE-CB 4Å; M250-L307 WeakPolarHBondContact CE-O 3.45Å; M250-L307 HydrophobicContact SD-CB 4.48Å; M250-M309 HydrophobicContact CB-CE 4.23Å; M250-M309 HydrophobicContact CB-SD 4.28Å
251G97.7Very high95.3Very high8 Ų845.2 Ų45.28%0.08222%0.221CC..  trans81.6160.9-160.400000111.6F247 C282 M309F247-G251 WeakPolarHBondContact O-CA 3.48Å; F247-G251 PolarHBondContact O-N 2.91Å; G251-C282 VanDerWaalsContact CA-O 3.3Å; G251-C282 WeakPolarHBondContact CA-O 3.45Å; G251-M309 WeakPolarHBondContact O-CE 3.47Å
252F97.1Very high95.5Very high29 Ų2948.2 Ų48.213%0.12723%0.227CC..PPolyproline II helixtrans-79.9128176-166.7-79.3000110.1F247 N254 L270 F274 R276 Y279F247-F252 HydrophobicContact CD1-CD2 4.25Å; F247-F252 AromaticContact CD2-CD2 3.94Å; F247-F252 HydrophobicContact CD2-CD2 3.94Å; F247-F252 HydrophobicContact CD2-CE2 4.32Å; F247-F252 HydrophobicContact CE1-CD2 4.35Å; F247-F252 HydrophobicContact CE2-CD2 4.04Å; F247-F252 AromaticContact CE2-CE2 3.99Å; F247-F252 HydrophobicContact CE2-CE2 3.99Å; F247-F252 HydrophobicContact CG-CD2 4.05Å; F247-F252 HydrophobicContact CZ-CD2 4.25Å; F247-F252 HydrophobicContact CZ-CE2 4.15Å; F252-N254 PolarHBondContact O-N 2.88Å; F252-L270 HydrophobicContact CE2-CD1 4.21Å; F252-L270 HydrophobicContact CE2-CG 4.42Å; F252-L270 HydrophobicContact CZ-CD2 4.23Å; F252-L270 HydrophobicContact CZ-CG 4.33Å; F252-F274 HydrophobicContact CD2-CB 4.41Å; F252-F274 HydrophobicContact CE2-CB 3.79Å; F252-R276 HydrophobicContact CB-CG 4.33Å; F252-R276 HydrophobicContact CD1-CB 4.21Å; F252-R276 HydrophobicContact CD1-CG 4.22Å; F252-R276 HydrophobicContact CG-CB 4.43Å; F252-R276 PolarHBondContact O-NH1 2.83Å; F252-R276 VanDerWaalsContact O-NH1 3.17Å; F252-Y279 HydrophobicContact CB-CD2 3.96Å; F252-Y279 HydrophobicContact CB-CG 4.3Å; F252-Y279 HydrophobicContact CD2-CD2 4.12Å; F252-Y279 HydrophobicContact CD2-CE2 4.37Å; F252-Y279 HydrophobicContact CG-CD2 4.47Å
253P95.2Very high95.5Very high2 Ų255.3 Ų55.31%0.01326%0.258CS..PPolyproline II helixtrans-62.7130.9-17223.9-32.7000111.7F247 W258 I261 R276 M309F247-P253 HydrophobicContact CE1-CG 4.49Å; P253-W258 HydrophobicContact CB-CB 4.3Å; P253-W258 HydrophobicContact CG-CE3 4.3Å; P253-I261 HydrophobicContact CG-CD1 3.67Å; P253-R276 VanDerWaalsContact O-CZ 3.23Å; P253-R276 PolarHBondContact O-NH1 3.03Å; P253-R276 PolarHBondContact O-NH2 3.25Å; P253-M309 HydrophobicContact CB-CE 3.64Å; P253-M309 HydrophobicContact CB-SD 3.87Å; P253-M309 HydrophobicContact CG-CE 4.25Å; P253-M309 HydrophobicContact CG-SD 3.92Å
254N92Very high95.4Very high70 Ų7056.8 Ų56.837%0.37427%0.265SS..PPolyproline II helixtrans-74.6161.9169.6-53.9-67000110.4F252 K256 D257 W258 R276F252-N254 PolarHBondContact O-N 2.88Å; N254-K256 HydrophobicContact CB-CG 4.12Å; N254-K256 PolarHBondContact O-N 3.35Å; N254-D257 WeakPolarHBondContact CB-OD2 3.17Å; N254-D257 PolarHBondContact N-OD2 3.47Å; N254-D257 PolarHBondContact ND2-OD2 3.5Å; N254-D257 WeakPolarHBondContact O-CA 3.44Å; N254-D257 WeakPolarHBondContact O-CB 3.37Å; N254-D257 PolarHBondContact O-N 3.35Å; N254-W258 PolarHBondContact O-N 2.93Å; N254-W258 VanDerWaalsContact O-N 3.13Å; N254-R276 VanDerWaalsContact CA-NH1 3.27Å; N254-R276 PolarHBondContact OD1-NH1 3.11Å
255E89.9Confident95.3Very high106 Ų10657.1 Ų57.150%0.49527%0.27SS..THydrogen-bonded Turntrans-57.4-40.4-179.5-63.5-177-177.800111.9D257 W258 E259 R262E255-D257 PolarHBondContact O-N 3.23Å; E255-W258 CarbonylContact O-C 3.22Å; E255-W258 VanDerWaalsContact O-C 3.22Å; E255-W258 PolarHBondContact O-N 3.07Å; E255-E259 VanDerWaalsContact O-CA 3.24Å; E255-E259 WeakPolarHBondContact O-CA 3.42Å; E255-E259 VanDerWaalsContact O-CG 3.23Å; E255-E259 WeakPolarHBondContact O-CG 3.42Å; E255-E259 PolarHBondContact O-N 2.74Å; E255-E259 VanDerWaalsContact O-N 3.11Å; E255-R262 IonicContact OE1-CZ 3.64Å; E255-R262 IonicContact OE1-NE 3.94Å; E255-R262 IonicContact OE1-NH2 2.65Å; E255-R262 PolarHBondContact OE1-NH2 3.24Å; E255-R262 IonicContact OE2-CZ 3.9Å; E255-R262 IonicContact OE2-NH2 3.24Å; E255-R262 PolarHBondContact OE2-NH2 3.18Å; E255-R262 VanDerWaalsContact OE2-NH2 3.12Å
256K93.5Very high95.2Very high151 Ų15156 Ų5666%0.65727%0.268SS*.THydrogen-bonded Turntrans-64.5-25.8173.767.3176-173.11760114.1N254 K313N254-K256 HydrophobicContact CB-CG 4.12Å; N254-K256 PolarHBondContact O-N 3.35Å; K256-K313 PolarHBondContact O-NZ 3.41Å
257D93.9Very high95.1Very high66 Ų6659 Ų5935%0.35328%0.28SS..THydrogen-bonded Turntrans-81.5-36-177.2-56.5-37.4000109.5N254 E255 D310 K313N254-D257 WeakPolarHBondContact CB-OD2 3.17Å; N254-D257 PolarHBondContact N-OD2 3.47Å; N254-D257 PolarHBondContact ND2-OD2 3.5Å; N254-D257 WeakPolarHBondContact O-CA 3.44Å; N254-D257 WeakPolarHBondContact O-CB 3.37Å; N254-D257 PolarHBondContact O-N 3.35Å; E255-D257 PolarHBondContact O-N 3.23Å; D257-D310 WeakPolarHBondContact O-CB 3.49Å; D257-K313 PolarHBondContact O-NZ 2.85Å
258W96.5Very high94.9Very high2 Ų266 Ų661%0.00831%0.312CS..  trans-145.487.8176.5-169.23.4000111.7P193 E194 L197 P253 N254 E255 D260 I261 M264 M309 D310P193-W258 HydrophobicContact CB-CH2 4.14Å; P193-W258 HydrophobicContact CB-CZ3 4.04Å; P193-W258 HydrophobicContact CG-CH2 4.2Å; P193-W258 HydrophobicContact CG-CZ3 4.13Å; E194-W258 HydrophobicContact CB-CH2 4.08Å; E194-W258 HydrophobicContact CB-CZ2 3.95Å; L197-W258 HydrophobicContact CD1-CH2 3.74Å; L197-W258 HydrophobicContact CD1-CZ3 3.96Å; P253-W258 HydrophobicContact CB-CB 4.3Å; P253-W258 HydrophobicContact CG-CE3 4.3Å; N254-W258 PolarHBondContact O-N 2.93Å; N254-W258 VanDerWaalsContact O-N 3.13Å; E255-W258 CarbonylContact O-C 3.22Å; E255-W258 VanDerWaalsContact O-C 3.22Å; E255-W258 PolarHBondContact O-N 3.07Å; W258-D260 VanDerWaalsContact C-N 3.35Å; W258-D260 PolarHBondContact O-N 3.35Å; W258-I261 HydrophobicContact CB-CB 4.28Å; W258-I261 HydrophobicContact CD2-CB 3.79Å; W258-I261 HydrophobicContact CD2-CD1 4.21Å; W258-I261 HydrophobicContact CD2-CG1 3.98Å; W258-I261 HydrophobicContact CE3-CB 4.2Å; W258-I261 HydrophobicContact CE3-CD1 3.71Å; W258-I261 HydrophobicContact CE3-CG1 3.9Å; W258-I261 HydrophobicContact CG-CB 3.81Å; W258-I261 HydrophobicContact CG-CG1 4.5Å; W258-I261 HydrophobicContact CZ3-CD1 4.1Å; W258-I261 HydrophobicContact CZ3-CG1 4.23Å; W258-I261 WeakPolarHBondContact O-CB 3.5Å; W258-I261 WeakPolarHBondContact O-CG2 3.43Å; W258-I261 PolarHBondContact O-N 3.21Å; W258-M264 HydrophobicContact CZ2-CE 3.88Å; W258-M264 HydrophobicContact CZ2-CG 4.32Å; W258-M264 HydrophobicContact CZ2-SD 4.41Å; W258-M309 HydrophobicContact CE3-CB 4.06Å; W258-M309 HydrophobicContact CZ3-CB 4.39Å; W258-D310 HydrophobicContact CB-CB 3.92Å; W258-D310 VanDerWaalsContact CD1-CG 3.46Å; W258-D310 HydrophobicContact CD2-CB 4.44Å; W258-D310 HydrophobicContact CG-CB 3.78Å
259E94.9Very high94.8Very high132 Ų13266.3 Ų66.362%0.61731%0.31SS*.G310 helixtrans-67.4-38.4-173.2-66.4173.9-161.600111.8E255 I261E255-E259 VanDerWaalsContact O-CA 3.24Å; E255-E259 WeakPolarHBondContact O-CA 3.42Å; E255-E259 VanDerWaalsContact O-CG 3.23Å; E255-E259 WeakPolarHBondContact O-CG 3.42Å; E255-E259 PolarHBondContact O-N 2.74Å; E255-E259 VanDerWaalsContact O-N 3.11Å; E259-I261 PolarHBondContact O-N 2.95Å
260D94.6Very high94.7Very high60 Ų6066.3 Ų66.332%0.32131%0.31SS..G310 helixtrans-802.6-178.1-76-16.7000114W258 R262 K263W258-D260 VanDerWaalsContact C-N 3.35Å; W258-D260 PolarHBondContact O-N 3.35Å; D260-R262 PolarHBondContact O-N 3.46Å; D260-R262 VanDerWaalsContact O-N 3.16Å; D260-K263 HydrophobicContact CB-CD 4.22Å; D260-K263 WeakPolarHBondContact O-CB 3.35Å; D260-K263 PolarHBondContact O-N 3.16Å; D260-K263 WeakPolarHBondContact OD1-CD 3.5Å; D260-K263 WeakPolarHBondContact OD1-CE 3.42Å; D260-K263 IonicContact OD1-NZ 3.91Å; D260-K263 PolarHBondContact OD1-NZ 3.32Å; D260-K263 IonicContact OD2-NZ 3.75Å
261I95.3Very high94.5Very high10 Ų1067.7 Ų67.75%0.05132%0.322CS..G310 helixtrans-57.4-33.4177-161.8174.8000111.6L197 P253 W258 E259 K263 M264 Y267 L270L197-I261 HydrophobicContact CD1-CD1 4.3Å; L197-I261 HydrophobicContact CD1-CG1 4.02Å; P253-I261 HydrophobicContact CG-CD1 3.67Å; W258-I261 HydrophobicContact CB-CB 4.28Å; W258-I261 HydrophobicContact CD2-CB 3.79Å; W258-I261 HydrophobicContact CD2-CD1 4.21Å; W258-I261 HydrophobicContact CD2-CG1 3.98Å; W258-I261 HydrophobicContact CE3-CB 4.2Å; W258-I261 HydrophobicContact CE3-CD1 3.71Å; W258-I261 HydrophobicContact CE3-CG1 3.9Å; W258-I261 HydrophobicContact CG-CB 3.81Å; W258-I261 HydrophobicContact CG-CG1 4.5Å; W258-I261 HydrophobicContact CZ3-CD1 4.1Å; W258-I261 HydrophobicContact CZ3-CG1 4.23Å; W258-I261 WeakPolarHBondContact O-CB 3.5Å; W258-I261 WeakPolarHBondContact O-CG2 3.43Å; W258-I261 PolarHBondContact O-N 3.21Å; E259-I261 PolarHBondContact O-N 2.95Å; I261-K263 PolarHBondContact O-N 3.25Å; I261-M264 WeakPolarHBondContact O-CB 3.41Å; I261-M264 WeakPolarHBondContact O-CG 3.31Å; I261-M264 PolarHBondContact O-N 3.17Å; I261-M264 VanDerWaalsContact O-N 3.14Å; I261-Y267 HydrophobicContact CG1-CD2 4.18Å; I261-Y267 HydrophobicContact CG1-CE2 4.47Å; I261-Y267 HydrophobicContact CG2-CD2 4.34Å; I261-Y267 HydrophobicContact CG2-CE2 3.97Å; I261-Y267 VanDerWaalsContact O-CD2 3.24Å; I261-Y267 WeakPolarHBondContact O-CD2 3.38Å; I261-L270 HydrophobicContact CD1-CD2 3.83Å; I261-L270 HydrophobicContact CG1-CD2 4.31Å
262R94.4Very high94.5Very high141 Ų14171.9 Ų71.953%0.53235%0.346SS..G310 helixtrans-66-18.8177.5-64-178.6174.6-167.71.4113.5E255 D260 Y267E255-R262 IonicContact OE1-CZ 3.64Å; E255-R262 IonicContact OE1-NE 3.94Å; E255-R262 IonicContact OE1-NH2 2.65Å; E255-R262 PolarHBondContact OE1-NH2 3.24Å; E255-R262 IonicContact OE2-CZ 3.9Å; E255-R262 IonicContact OE2-NH2 3.24Å; E255-R262 PolarHBondContact OE2-NH2 3.18Å; E255-R262 VanDerWaalsContact OE2-NH2 3.12Å; D260-R262 PolarHBondContact O-N 3.46Å; D260-R262 VanDerWaalsContact O-N 3.16Å; R262-Y267 HydrophobicContact CB-CD1 4.44Å; R262-Y267 HydrophobicContact CB-CE1 4.3Å; R262-Y267 HydrophobicContact CG-CE1 3.98Å; R262-Y267 HydrophobicContact CG-CE2 4.02Å
263K94.1Very high94.4Very high155 Ų15573.1 Ų73.167%0.67435%0.354SS*.G310 helixtrans-89.1-7.7178.4-58.8176.1-178.2163.50112.4D260 I261D260-K263 HydrophobicContact CB-CD 4.22Å; D260-K263 WeakPolarHBondContact O-CB 3.35Å; D260-K263 PolarHBondContact O-N 3.16Å; D260-K263 WeakPolarHBondContact OD1-CD 3.5Å; D260-K263 WeakPolarHBondContact OD1-CE 3.42Å; D260-K263 IonicContact OD1-NZ 3.91Å; D260-K263 PolarHBondContact OD1-NZ 3.32Å; D260-K263 IonicContact OD2-NZ 3.75Å; I261-K263 PolarHBondContact O-N 3.25Å
264M93.5Very high94.5Very high31 Ų3173.6 Ų73.615%0.15336%0.356CS..SBendtrans-70.2137.8179.7-65.4-66.4147.400110.8E194 L197 A199 W258 I261 E266 Y267E194-M264 HydrophobicContact CB-SD 4.4Å; L197-M264 HydrophobicContact CB-CB 3.8Å; L197-M264 HydrophobicContact CB-CG 4.03Å; L197-M264 HydrophobicContact CD1-CB 4.47Å; L197-M264 HydrophobicContact CD1-CG 4.24Å; A199-M264 HydrophobicContact CB-SD 4.12Å; W258-M264 HydrophobicContact CZ2-CE 3.88Å; W258-M264 HydrophobicContact CZ2-CG 4.32Å; W258-M264 HydrophobicContact CZ2-SD 4.41Å; I261-M264 WeakPolarHBondContact O-CB 3.41Å; I261-M264 WeakPolarHBondContact O-CG 3.31Å; I261-M264 PolarHBondContact O-N 3.17Å; I261-M264 VanDerWaalsContact O-N 3.14Å; M264-E266 PolarHBondContact O-N 3.43Å; M264-E266 VanDerWaalsContact O-N 3.16Å; M264-Y267 VanDerWaalsContact O-CB 3.25Å; M264-Y267 WeakPolarHBondContact O-CB 3.31Å; M264-Y267 PolarHBondContact O-N 3.09Å
265P93.5Very high94.6Very high65 Ų6577.1 Ų77.142%0.42237%0.368SS..THydrogen-bonded Turntrans-54.4-36.6-177.8-33.541.6000114.8L197 G198L197-P265 WeakPolarHBondContact O-CD 3.3Å; G198-P265 VanDerWaalsContact O-CG 3.27Å; G198-P265 WeakPolarHBondContact O-CG 3.25Å
266E94.2Very high94.8Very high47 Ų4776.6 Ų76.622%0.2236%0.362CS..THydrogen-bonded Turntrans-93.412.4-178.1-55-61.7146.700113.6L197 Y238 M264 H268 K269 L270L197-E266 HydrophobicContact CD2-CB 4.5Å; L197-E266 PolarHBondContact O-N 3.27Å; L197-E266 VanDerWaalsContact O-N 3.12Å; Y238-E266 HydrophobicContact CD2-CB 3.59Å; Y238-E266 HydrophobicContact CD2-CG 4.02Å; Y238-E266 HydrophobicContact CE2-CB 4.17Å; Y238-E266 HydrophobicContact CG-CB 4.48Å; M264-E266 PolarHBondContact O-N 3.43Å; M264-E266 VanDerWaalsContact O-N 3.16Å; E266-H268 VanDerWaalsContact C-N 3.31Å; E266-H268 PolarHBondContact O-N 3.09Å; E266-K269 PolarHBondContact O-N 3.38Å; E266-K269 VanDerWaalsContact O-N 3.17Å; E266-L270 PolarHBondContact O-N 3.22Å
267Y95.2Very high94.9Very high65 Ų6574.3 Ų74.326%0.25536%0.36SS..Hα-helixtrans-60.1-37.4-176.6177.7-102.7000113.5I261 R262 M264 K269 L270 S271I261-Y267 HydrophobicContact CG1-CD2 4.18Å; I261-Y267 HydrophobicContact CG1-CE2 4.47Å; I261-Y267 HydrophobicContact CG2-CD2 4.34Å; I261-Y267 HydrophobicContact CG2-CE2 3.97Å; I261-Y267 VanDerWaalsContact O-CD2 3.24Å; I261-Y267 WeakPolarHBondContact O-CD2 3.38Å; R262-Y267 HydrophobicContact CB-CD1 4.44Å; R262-Y267 HydrophobicContact CB-CE1 4.3Å; R262-Y267 HydrophobicContact CG-CE1 3.98Å; R262-Y267 HydrophobicContact CG-CE2 4.02Å; M264-Y267 VanDerWaalsContact O-CB 3.25Å; M264-Y267 WeakPolarHBondContact O-CB 3.31Å; M264-Y267 PolarHBondContact O-N 3.09Å; Y267-K269 VanDerWaalsContact C-N 3.33Å; Y267-K269 PolarHBondContact O-N 3.48Å; Y267-L270 HydrophobicContact CD2-CD2 4.24Å; Y267-L270 WeakPolarHBondContact O-CB 3.36Å; Y267-L270 PolarHBondContact O-N 2.78Å; Y267-S271 WeakPolarHBondContact CE1-OG 3.49Å; Y267-S271 WeakPolarHBondContact O-CB 3.34Å; Y267-S271 PolarHBondContact O-N 3.09Å; Y267-S271 PolarHBondContact O-OG 3.18Å
268H94.9Very high95Very high149 Ų14976.3 Ų76.369%0.6937%0.371SS*.Hα-helixtrans-64.7-40.3178.2-177.256.8000111.7E266 S271 T272E266-H268 VanDerWaalsContact C-N 3.31Å; E266-H268 PolarHBondContact O-N 3.09Å; H268-S271 PolarHBondContact O-N 3.46Å; H268-T272 PolarHBondContact O-N 3.01Å; H268-T272 VanDerWaalsContact O-N 3.16Å; H268-T272 PolarHBondContact O-OG1 2.79Å
269K95.3Very high95.1Very high76 Ų7676.8 Ų76.833%0.3337%0.373SS..Hα-helixtrans-67.1-46.3175.9-168176.3178.6-173.50111.2Y238 E266 Y267 S271 T272 D273Y238-K269 HydrophobicContact CD1-CD 3.61Å; Y238-K269 VanDerWaalsContact CD1-CE 3.42Å; Y238-K269 HydrophobicContact CD1-CG 4.36Å; Y238-K269 VanDerWaalsContact CD1-NZ 3.28Å; Y238-K269 HydrophobicContact CD2-CD 4.24Å; Y238-K269 HydrophobicContact CE1-CD 3.59Å; Y238-K269 HydrophobicContact CE1-CG 3.86Å; Y238-K269 HydrophobicContact CE2-CB 4.24Å; Y238-K269 HydrophobicContact CE2-CD 4.24Å; Y238-K269 HydrophobicContact CE2-CG 4.18Å; Y238-K269 HydrophobicContact CG-CD 3.89Å; E266-K269 PolarHBondContact O-N 3.38Å; E266-K269 VanDerWaalsContact O-N 3.17Å; Y267-K269 VanDerWaalsContact C-N 3.33Å; Y267-K269 PolarHBondContact O-N 3.48Å; K269-S271 VanDerWaalsContact C-N 3.27Å; K269-S271 PolarHBondContact O-N 3.26Å; K269-T272 WeakPolarHBondContact O-CB 3.1Å; K269-T272 PolarHBondContact O-N 3.24Å; K269-D273 WeakPolarHBondContact CG-OD2 3.3Å; K269-D273 PolarHBondContact O-N 2.85Å
270L95.9Very high95.1Very high0 Ų076.9 Ų76.90%038%0.376CS..Hα-helixtrans-51.6-46.6172.2176.673.7000111.8L197 Y238 L243 F247 F252 I261 E266 Y267 T272 D273 F274L197-L270 HydrophobicContact CD1-CD2 4.19Å; L197-L270 HydrophobicContact CD2-CB 4Å; L197-L270 HydrophobicContact CD2-CD1 4.13Å; L197-L270 HydrophobicContact CD2-CD2 3.95Å; L197-L270 HydrophobicContact CD2-CG 4.24Å; Y238-L270 HydrophobicContact CE2-CB 4.41Å; Y238-L270 WeakPolarHBondContact OH-CA 3.47Å; Y238-L270 PolarHBondContact OH-N 3.45Å; L243-L270 HydrophobicContact CD1-CD1 4.41Å; F247-L270 HydrophobicContact CE2-CD1 3.58Å; F247-L270 HydrophobicContact CZ-CD1 3.67Å; F252-L270 HydrophobicContact CE2-CD1 4.21Å; F252-L270 HydrophobicContact CE2-CG 4.42Å; F252-L270 HydrophobicContact CZ-CD2 4.23Å; F252-L270 HydrophobicContact CZ-CG 4.33Å; I261-L270 HydrophobicContact CD1-CD2 3.83Å; I261-L270 HydrophobicContact CG1-CD2 4.31Å; E266-L270 PolarHBondContact O-N 3.22Å; Y267-L270 HydrophobicContact CD2-CD2 4.24Å; Y267-L270 WeakPolarHBondContact O-CB 3.36Å; Y267-L270 PolarHBondContact O-N 2.78Å; L270-T272 VanDerWaalsContact C-N 3.26Å; L270-T272 PolarHBondContact O-N 2.69Å; L270-D273 PolarHBondContact O-N 3.22Å; L270-F274 HydrophobicContact CD1-CB 4.43Å; L270-F274 HydrophobicContact CD1-CD2 3.62Å; L270-F274 HydrophobicContact CD1-CE2 4.17Å; L270-F274 HydrophobicContact CD1-CG 4.15Å; L270-F274 WeakPolarHBondContact O-CB 3.5Å; L270-F274 WeakPolarHBondContact O-CD2 3.28Å; L270-F274 PolarHBondContact O-N 3.37Å
271S94.1Very high95.1Very high56 Ų5679.6 Ų79.639%0.39239%0.391SS..Hα-helixtrans-68.8-24.4-178.5-58.10000113.5Y267 H268 K269Y267-S271 WeakPolarHBondContact CE1-OG 3.49Å; Y267-S271 WeakPolarHBondContact O-CB 3.34Å; Y267-S271 PolarHBondContact O-N 3.09Å; Y267-S271 PolarHBondContact O-OG 3.18Å; H268-S271 PolarHBondContact O-N 3.46Å; K269-S271 VanDerWaalsContact C-N 3.27Å; K269-S271 PolarHBondContact O-N 3.26Å
272T96.1Very high95.2Very high96 Ų9680.6 Ų80.659%0.58940%0.398SS*.Hα-helixtrans-81.4-44.7177.3-57.60000110.8H268 K269 L270H268-T272 PolarHBondContact O-N 3.01Å; H268-T272 VanDerWaalsContact O-N 3.16Å; H268-T272 PolarHBondContact O-OG1 2.79Å; K269-T272 WeakPolarHBondContact O-CB 3.1Å; K269-T272 PolarHBondContact O-N 3.24Å; L270-T272 VanDerWaalsContact C-N 3.26Å; L270-T272 PolarHBondContact O-N 2.69Å
273D95.9Very high95.3Very high56 Ų5676.7 Ų76.730%0.29939%0.388SS..Hα-helixtrans-80.5-27.5-173.5-62.3-16.3000112.7Y238 K269 L270Y238-D273 VanDerWaalsContact CE1-OD2 3.27Å; Y238-D273 WeakPolarHBondContact CE1-OD2 3.45Å; Y238-D273 PolarHBondContact OH-OD2 3.32Å; K269-D273 WeakPolarHBondContact CG-OD2 3.3Å; K269-D273 PolarHBondContact O-N 2.85Å; L270-D273 PolarHBondContact O-N 3.22Å
274F96.9Very high95.5Very high11 Ų1169.6 Ų69.65%0.04836%0.357CS..  trans-121132.4-170.8-65.2-88.3000113.6Y238 Q240 L243 D244 F247 F252 L270 Y279Y238-F274 WeakPolarHBondContact OH-CE2 3.29Å; Q240-F274 HydrophobicContact CG-CE2 3.99Å; Q240-F274 HydrophobicContact CG-CZ 3.76Å; Q240-F274 WeakPolarHBondContact O-CZ 3.35Å; L243-F274 HydrophobicContact CB-CE2 4.22Å; L243-F274 HydrophobicContact CB-CZ 3.9Å; D244-F274 HydrophobicContact CB-CE1 3.73Å; D244-F274 HydrophobicContact CB-CZ 4.14Å; F247-F274 AromaticContact CD2-CD1 3.75Å; F247-F274 HydrophobicContact CD2-CD1 3.75Å; F247-F274 AromaticContact CD2-CE1 3.93Å; F247-F274 HydrophobicContact CD2-CE1 3.93Å; F247-F274 HydrophobicContact CD2-CG 4.3Å; F247-F274 AromaticContact CE2-CD1 3.98Å; F247-F274 HydrophobicContact CE2-CD1 3.98Å; F247-F274 HydrophobicContact CE2-CD2 4.4Å; F247-F274 HydrophobicContact CE2-CE1 4.18Å; F247-F274 HydrophobicContact CE2-CG 4.11Å; F247-F274 HydrophobicContact CE2-CZ 4.43Å; F252-F274 HydrophobicContact CD2-CB 4.41Å; F252-F274 HydrophobicContact CE2-CB 3.79Å; L270-F274 HydrophobicContact CD1-CB 4.43Å; L270-F274 HydrophobicContact CD1-CD2 3.62Å; L270-F274 HydrophobicContact CD1-CE2 4.17Å; L270-F274 HydrophobicContact CD1-CG 4.15Å; L270-F274 WeakPolarHBondContact O-CB 3.5Å; L270-F274 WeakPolarHBondContact O-CD2 3.28Å; L270-F274 PolarHBondContact O-N 3.37Å; F274-Y279 AromaticContact CD1-CE2 3.96Å; F274-Y279 HydrophobicContact CD1-CE2 3.96Å; F274-Y279 AromaticContact CD1-CZ 3.92Å; F274-Y279 VanDerWaalsContact CD1-OH 3.24Å; F274-Y279 WeakPolarHBondContact CD1-OH 3.36Å; F274-Y279 WeakPolarHBondContact CE1-OH 3.47Å
275K94.9Very high95.7Very high144 Ų14471.9 Ų71.963%0.62637%0.368SS*.  trans-109.4122.2171.6-61.9-175.8-179.5178.60110.5V277 N278K275-V277 HydrophobicContact CB-CG2 4.05Å; K275-V277 PolarHBondContact O-N 3.06Å; K275-N278 WeakPolarHBondContact O-CB 3.49Å; K275-N278 PolarHBondContact O-N 2.95Å
276R94.1Very high95.8Very high95 Ų9573.7 Ų73.736%0.35837%0.369SS..G310 helixtrans-48.6-38.6179.5-178.2-175.2-65-72.2-7.6113.5F252 P253 N254 N278 Y279F252-R276 HydrophobicContact CB-CG 4.33Å; F252-R276 HydrophobicContact CD1-CB 4.21Å; F252-R276 HydrophobicContact CD1-CG 4.22Å; F252-R276 HydrophobicContact CG-CB 4.43Å; F252-R276 PolarHBondContact O-NH1 2.83Å; F252-R276 VanDerWaalsContact O-NH1 3.17Å; P253-R276 VanDerWaalsContact O-CZ 3.23Å; P253-R276 PolarHBondContact O-NH1 3.03Å; P253-R276 PolarHBondContact O-NH2 3.25Å; N254-R276 VanDerWaalsContact CA-NH1 3.27Å; N254-R276 PolarHBondContact OD1-NH1 3.11Å; R276-N278 PolarHBondContact O-N 3.46Å; R276-Y279 PolarHBondContact O-N 2.87Å
277V95.3Very high96Very high104 Ų10472.8 Ų72.863%0.6336%0.364SS*.G310 helixtrans-58.6-27.5-178.6-63.10000113.4K275 Y279K275-V277 HydrophobicContact CB-CG2 4.05Å; K275-V277 PolarHBondContact O-N 3.06Å; V277-Y279 PolarHBondContact O-N 2.76Å
278N96.3Very high96.1Very high107 Ų10769.7 Ų69.757%0.57235%0.352SS*.G310 helixtrans-68.9-19.1179.4-64-3.3000112.5K275 R276K275-N278 WeakPolarHBondContact O-CB 3.49Å; K275-N278 PolarHBondContact O-N 2.95Å; R276-N278 PolarHBondContact O-N 3.46Å
279Y97.3Very high96.1Very high13 Ų1366.9 Ų66.95%0.05134%0.339CS..G310 helixtrans-11712.1-173.9-50.9-76.6000113.4D244 F247 F252 F274 R276 V277 N281 C282D244-Y279 PolarHBondContact OD1-OH 2.75Å; F247-Y279 HydrophobicContact CB-CD1 3.58Å; F247-Y279 HydrophobicContact CB-CD2 4.13Å; F247-Y279 HydrophobicContact CB-CE1 3.65Å; F247-Y279 HydrophobicContact CB-CE2 4.2Å; F247-Y279 HydrophobicContact CB-CG 3.83Å; F247-Y279 HydrophobicContact CD2-CE2 4.46Å; F252-Y279 HydrophobicContact CB-CD2 3.96Å; F252-Y279 HydrophobicContact CB-CG 4.3Å; F252-Y279 HydrophobicContact CD2-CD2 4.12Å; F252-Y279 HydrophobicContact CD2-CE2 4.37Å; F252-Y279 HydrophobicContact CG-CD2 4.47Å; F274-Y279 AromaticContact CD1-CE2 3.96Å; F274-Y279 HydrophobicContact CD1-CE2 3.96Å; F274-Y279 AromaticContact CD1-CZ 3.92Å; F274-Y279 VanDerWaalsContact CD1-OH 3.24Å; F274-Y279 WeakPolarHBondContact CD1-OH 3.36Å; F274-Y279 WeakPolarHBondContact CE1-OH 3.47Å; R276-Y279 PolarHBondContact O-N 2.87Å; V277-Y279 PolarHBondContact O-N 2.76Å; Y279-N281 PolarHBondContact O-N 3.19Å; Y279-C282 WeakPolarHBondContact O-CB 3.24Å; Y279-C282 PolarHBondContact O-N 3.21Å
280I95.2Very high96.1Very high133 Ų13371.7 Ų71.768%0.68236%0.359SS*.THydrogen-bonded Turntrans-60.7-29.4-175.1-164.4167.6000113
281N95.2Very high96Very high118 Ų11873.7 Ų73.763%0.63137%0.369SS*.THydrogen-bonded Turntrans-93.90.6179.6-73.1-41.2000113.6Y279 K286Y279-N281 PolarHBondContact O-N 3.19Å; N281-K286 WeakPolarHBondContact O-CD 3.4Å; N281-K286 PolarHBondContact O-NZ 3.45Å
282C97.3Very high96Very high31 Ų3180.5 Ų80.521%0.20939%0.391CS..  trans-96.3132.6-176.7-570000110.2F247 N248 G251 Y279F247-C282 WeakPolarHBondContact O-CB 3.26Å; N248-C282 WeakPolarHBondContact O-CB 3.46Å; G251-C282 VanDerWaalsContact CA-O 3.3Å; G251-C282 WeakPolarHBondContact CA-O 3.45Å; Y279-C282 WeakPolarHBondContact O-CB 3.24Å; Y279-C282 PolarHBondContact O-N 3.21Å
283N96.7Very high95.8Very high58 Ų5876.7 Ų76.731%0.3137%0.368SS..  trans-161.6157.4169.862.263.7000110.2V249 Q285 K286 Y287V249-N283 CarbonylContact O-C 3.6Å; V249-N283 WeakPolarHBondContact O-CA 3.33Å; V249-N283 VanDerWaalsContact O-O 3.11Å; N283-Q285 PolarHBondContact O-N 3.23Å; N283-Q285 WeakPolarHBondContact OD1-CB 3.44Å; N283-Q285 PolarHBondContact OD1-N 3.17Å; N283-K286 PolarHBondContact O-N 3.23Å; N283-K286 WeakPolarHBondContact OD1-CG 3.33Å; N283-K286 PolarHBondContact OD1-N 3.37Å; N283-Y287 PolarHBondContact O-N 3.47Å
284L97.7Very high95.7Very high7 Ų781 Ų814%0.03738%0.384CS..Hα-helixtrans-57.9-37-176.1-17861.7000112I224 V249 M250 Y287 M288 Y300 L303 Q304 L307I224-L284 HydrophobicContact CD1-CD1 3.62Å; V249-L284 HydrophobicContact CG1-CD1 4.17Å; V249-L284 WeakPolarHBondContact O-CA 3.43Å; V249-L284 PolarHBondContact O-N 2.85Å; V249-L284 VanDerWaalsContact O-N 3.09Å; M250-L284 HydrophobicContact CE-CB 4.16Å; M250-L284 HydrophobicContact CE-CD2 4.1Å; M250-L284 HydrophobicContact SD-CB 3.94Å; M250-L284 HydrophobicContact SD-CD1 3.82Å; M250-L284 HydrophobicContact SD-CD2 4.25Å; M250-L284 HydrophobicContact SD-CG 4.2Å; L284-Y287 PolarHBondContact O-N 3.37Å; L284-M288 HydrophobicContact CD1-CG 3.89Å; L284-M288 HydrophobicContact CD1-SD 4.29Å; L284-M288 HydrophobicContact CG-CG 4.12Å; L284-M288 WeakPolarHBondContact O-CB 3.47Å; L284-M288 VanDerWaalsContact O-CG 3.25Å; L284-M288 WeakPolarHBondContact O-CG 3.46Å; L284-M288 PolarHBondContact O-N 2.84Å; L284-Y300 HydrophobicContact CB-CE2 4.49Å; L284-Y300 HydrophobicContact CD2-CE2 4.25Å; L284-Y300 HydrophobicContact CG-CE2 3.97Å; L284-L303 HydrophobicContact CD2-CG 4.39Å; L284-Q304 HydrophobicContact CD2-CB 4.27Å; L284-L307 HydrophobicContact CD1-CD1 4.37Å; L284-L307 HydrophobicContact CD2-CD1 4.46Å
285Q97.1Very high95.4Very high79 Ų7981.1 Ų81.137%0.36939%0.388SS..Hα-helixtrans-59.3-52.6179.4-170.9175.3-22.600111.8N283 Y287 M288 E289 Y300N283-Q285 PolarHBondContact O-N 3.23Å; N283-Q285 WeakPolarHBondContact OD1-CB 3.44Å; N283-Q285 PolarHBondContact OD1-N 3.17Å; Q285-Y287 VanDerWaalsContact C-N 3.27Å; Q285-Y287 PolarHBondContact O-N 3.41Å; Q285-M288 PolarHBondContact O-N 2.99Å; Q285-M288 VanDerWaalsContact O-N 3.17Å; Q285-E289 HydrophobicContact CG-CG 4.28Å; Q285-E289 WeakPolarHBondContact CG-OE1 3.41Å; Q285-E289 PolarHBondContact NE2-OE1 3.15Å; Q285-E289 WeakPolarHBondContact O-CB 3.42Å; Q285-E289 WeakPolarHBondContact O-CG 3.3Å; Q285-E289 PolarHBondContact O-N 3.14Å; Q285-Y300 WeakPolarHBondContact CA-OH 3.2Å; Q285-Y300 HydrophobicContact CB-CE2 4.16Å; Q285-Y300 WeakPolarHBondContact CB-OH 3.15Å; Q285-Y300 PolarHBondContact N-OH 3.33Å
286K96.6Very high95.2Very high102 Ų10279.8 Ų79.844%0.44339%0.388SS..Hα-helixtrans-58.6-40178.4-77.9176.8173.11750111.9N281 N283 K290N281-K286 WeakPolarHBondContact O-CD 3.4Å; N281-K286 PolarHBondContact O-NZ 3.45Å; N283-K286 PolarHBondContact O-N 3.23Å; N283-K286 WeakPolarHBondContact OD1-CG 3.33Å; N283-K286 PolarHBondContact OD1-N 3.37Å; K286-K290 PolarHBondContact O-N 3.43Å
287Y97.4Very high95.1Very high29 Ų2977.2 Ų77.211%0.11438%0.384CS..Hα-helixtrans-61.3-53.5174.7-178.2-90.7000110.7I224 R245 V249 N283 L284 Q285 E289 K290 H291I224-Y287 HydrophobicContact CB-CE1 4.39Å; I224-Y287 HydrophobicContact CD1-CD1 4.15Å; I224-Y287 HydrophobicContact CD1-CE1 4.05Å; I224-Y287 HydrophobicContact CG1-CD1 4.21Å; I224-Y287 HydrophobicContact CG1-CE1 3.73Å; R245-Y287 PolarHBondContact NH2-OH 2.76Å; V249-Y287 HydrophobicContact CB-CD2 4.38Å; V249-Y287 HydrophobicContact CG1-CD1 4.09Å; V249-Y287 HydrophobicContact CG1-CD2 4.07Å; V249-Y287 HydrophobicContact CG1-CG 3.8Å; V249-Y287 HydrophobicContact CG2-CD2 3.79Å; V249-Y287 HydrophobicContact CG2-CE2 3.85Å; V249-Y287 HydrophobicContact CG2-CG 4.38Å; N283-Y287 PolarHBondContact O-N 3.47Å; L284-Y287 PolarHBondContact O-N 3.37Å; Q285-Y287 VanDerWaalsContact C-N 3.27Å; Q285-Y287 PolarHBondContact O-N 3.41Å; Y287-E289 VanDerWaalsContact C-N 3.34Å; Y287-E289 PolarHBondContact O-N 2.76Å; Y287-K290 WeakPolarHBondContact O-CB 3.49Å; Y287-K290 PolarHBondContact O-N 2.9Å; Y287-H291 AromaticContact CE1-CD2 3.77Å; Y287-H291 AromaticContact CE1-NE2 4Å; Y287-H291 AromaticContact CE2-NE2 3.98Å; Y287-H291 AromaticContact CZ-CD2 3.89Å; Y287-H291 AromaticContact CZ-NE2 3.62Å; Y287-H291 PolarHBondContact O-CD2 2.93Å; Y287-H291 VanDerWaalsContact O-CD2 3.31Å; Y287-H291 PolarHBondContact O-N 2.88Å
288M97.1Very high95.1Very high0 Ų077.2 Ų77.20%037%0.373CS..Hα-helixtrans-64.5-35.7-177.1-66.2-54.7-64.100112.8L219 T220 I224 L284 Q285 K290 H291 K292 V293 Y300 L303L219-M288 HydrophobicContact CB-CE 4.18Å; L219-M288 HydrophobicContact CD1-CE 3.99Å; T220-M288 HydrophobicContact CG2-CE 3.76Å; T220-M288 HydrophobicContact CG2-SD 4.16Å; I224-M288 HydrophobicContact CD1-SD 4.45Å; L284-M288 HydrophobicContact CD1-CG 3.89Å; L284-M288 HydrophobicContact CD1-SD 4.29Å; L284-M288 HydrophobicContact CG-CG 4.12Å; L284-M288 WeakPolarHBondContact O-CB 3.47Å; L284-M288 VanDerWaalsContact O-CG 3.25Å; L284-M288 WeakPolarHBondContact O-CG 3.46Å; L284-M288 PolarHBondContact O-N 2.84Å; Q285-M288 PolarHBondContact O-N 2.99Å; Q285-M288 VanDerWaalsContact O-N 3.17Å; M288-K290 PolarHBondContact O-N 3.33Å; M288-H291 CarbonylContact O-C 3.52Å; M288-H291 VanDerWaalsContact O-C 3.29Å; M288-H291 WeakPolarHBondContact O-CA 3.08Å; M288-H291 PolarHBondContact O-N 2.86Å; M288-K292 PolarHBondContact O-N 2.94Å; M288-V293 CarbonylContact C-O 3.58Å; M288-V293 HydrophobicContact CB-CB 4.12Å; M288-V293 HydrophobicContact CB-CG1 4.43Å; M288-V293 HydrophobicContact CE-CB 3.86Å; M288-V293 HydrophobicContact CE-CG1 3.92Å; M288-V293 HydrophobicContact CE-CG2 3.8Å; M288-V293 PolarHBondContact O-N 3.35Å; M288-Y300 HydrophobicContact CB-CD2 4.08Å; M288-Y300 HydrophobicContact CB-CE2 4.34Å; M288-Y300 HydrophobicContact CG-CD2 4.02Å; M288-Y300 HydrophobicContact CG-CE2 4.18Å; M288-L303 HydrophobicContact CE-CD2 3.6Å; M288-L303 HydrophobicContact CG-CD2 4.15Å; M288-L303 HydrophobicContact SD-CD2 3.74Å
289E96.2Very high95.1Very high90 Ų9072.6 Ų72.642%0.42135%0.35SS..Hα-helixtrans-64.5-37175.6-76173.6174.100112.4Q285 Y287 H291 K292 V293Q285-E289 HydrophobicContact CG-CG 4.28Å; Q285-E289 WeakPolarHBondContact CG-OE1 3.41Å; Q285-E289 PolarHBondContact NE2-OE1 3.15Å; Q285-E289 WeakPolarHBondContact O-CB 3.42Å; Q285-E289 WeakPolarHBondContact O-CG 3.3Å; Q285-E289 PolarHBondContact O-N 3.14Å; Y287-E289 VanDerWaalsContact C-N 3.34Å; Y287-E289 PolarHBondContact O-N 2.76Å; E289-H291 PolarHBondContact O-N 2.9Å; E289-K292 PolarHBondContact O-N 3.08Å; E289-V293 WeakPolarHBondContact CA-O 3.36Å; E289-V293 PolarHBondContact N-O 3.3Å
290K95.6Very high95Very high176 Ų17672.5 Ų72.577%0.76535%0.349SS*.Hα-helixtrans-59.6-31171.4-173.8-176.1176.5-173.80111.9K286 Y287 M288 K292K286-K290 PolarHBondContact O-N 3.43Å; Y287-K290 WeakPolarHBondContact O-CB 3.49Å; Y287-K290 PolarHBondContact O-N 2.9Å; M288-K290 PolarHBondContact O-N 3.33Å; K290-K292 VanDerWaalsContact C-N 3.33Å
291H93.6Very high95.1Very high42 Ų4269.8 Ų69.819%0.19433%0.334CS..THydrogen-bonded Turntrans-9318.6174.2-66.8-85.9000113.5T220 E222 Y287 M288 E289 V293T220-H291 HydrophobicContact CG2-CB 3.52Å; E222-H291 IonicContact OE2-CE1 3.91Å; E222-H291 PolarHBondContact OE2-CE1 3.35Å; E222-H291 VanDerWaalsContact OE2-CE1 3.24Å; Y287-H291 AromaticContact CE1-CD2 3.77Å; Y287-H291 AromaticContact CE1-NE2 4Å; Y287-H291 AromaticContact CE2-NE2 3.98Å; Y287-H291 AromaticContact CZ-CD2 3.89Å; Y287-H291 AromaticContact CZ-NE2 3.62Å; Y287-H291 PolarHBondContact O-CD2 2.93Å; Y287-H291 VanDerWaalsContact O-CD2 3.31Å; Y287-H291 PolarHBondContact O-N 2.88Å; M288-H291 CarbonylContact O-C 3.52Å; M288-H291 VanDerWaalsContact O-C 3.29Å; M288-H291 WeakPolarHBondContact O-CA 3.08Å; M288-H291 PolarHBondContact O-N 2.86Å; E289-H291 PolarHBondContact O-N 2.9Å; H291-V293 PolarHBondContact O-N 3.25Å
292K93.3Very high95.3Very high199 Ų19964.2 Ų64.287%0.86530%0.304SS*.THydrogen-bonded Turntrans63.423.2175.9-50.8178.8-179.9178.50114.6M288 E289 K290M288-K292 PolarHBondContact O-N 2.94Å; E289-K292 PolarHBondContact O-N 3.08Å; K290-K292 VanDerWaalsContact C-N 3.33Å
293V92.7Very high95.3Very high17 Ų1762.7 Ų62.710%0.10329%0.294CS..  trans-98.8116.3170.7178.10000108.4L219 M288 E289 H291L219-V293 HydrophobicContact CB-CG2 4.22Å; M288-V293 CarbonylContact C-O 3.58Å; M288-V293 HydrophobicContact CB-CB 4.12Å; M288-V293 HydrophobicContact CB-CG1 4.43Å; M288-V293 HydrophobicContact CE-CB 3.86Å; M288-V293 HydrophobicContact CE-CG1 3.92Å; M288-V293 HydrophobicContact CE-CG2 3.8Å; M288-V293 PolarHBondContact O-N 3.35Å; E289-V293 WeakPolarHBondContact CA-O 3.36Å; E289-V293 PolarHBondContact N-O 3.3Å; H291-V293 PolarHBondContact O-N 3.25Å
294K92.5Very high95.4Very high145 Ų14564.8 Ų64.863%0.6330%0.302SS*.  trans-71.2137.8-174.2-56.9-176.2176.2-175.20111.7D296 C297K294-D296 WeakPolarHBondContact CB-OD1 2.79Å; K294-D296 PolarHBondContact O-N 2.9Å; K294-C297 HydrophobicContact CB-CB 4.43Å; K294-C297 PolarHBondContact O-N 3.24Å; K294-C297 PolarHBondContact O-SG 3.02Å
295G90.3Very high95.4Very high14 Ų1468.8 Ų68.814%0.14432%0.316CS..THydrogen-bonded Turntrans-64.7-16.5178.100000115.4Y300G295-Y300 WeakPolarHBondContact O-CD1 3.44Å
296D91.1Very high95.5Very high117 Ų11765 Ų6563%0.62630%0.299SS*.THydrogen-bonded Turntrans-94-5.3178.566.2-15.3000113.5K294K294-D296 WeakPolarHBondContact CB-OD1 2.79Å; K294-D296 PolarHBondContact O-N 2.9Å
297C93.5Very high95.6Very high40 Ų4060.2 Ų60.227%0.2728%0.278SS..SBendtrans-80.2150.2-176.4820000112.2K294 A299 Y300 Q301K294-C297 HydrophobicContact CB-CB 4.43Å; K294-C297 PolarHBondContact O-N 3.24Å; K294-C297 PolarHBondContact O-SG 3.02Å; C297-A299 PolarHBondContact O-N 2.91Å; C297-Y300 WeakPolarHBondContact O-CB 3.4Å; C297-Y300 PolarHBondContact O-N 3.04Å; C297-Y300 VanDerWaalsContact O-N 3.11Å; C297-Y300 PolarHBondContact SG-N 3.18Å; C297-Q301 PolarHBondContact O-N 3.31Å; C297-Q301 VanDerWaalsContact O-N 3.17Å
298R94.6Very high95.6Very high104 Ų10460.5 Ų60.539%0.39228%0.283SS..Hα-helixtrans-64.1-29-178.1-56.8-52.4178.588.9-2113.5Q301 L302 Y325R298-Q301 PolarHBondContact O-N 3.27Å; R298-L302 PolarHBondContact O-N 3.31Å; R298-L302 VanDerWaalsContact O-N 3.11Å; R298-Y325 HydrophobicContact CB-CD2 4.1Å
299A95.1Very high95.6Very high11 Ų1161.7 Ų61.79%0.09129%0.289CS..Hα-helixtrans-62.2-44.8174.200000111.1F215 L219 C297 L302 L303 Y325F215-A299 VanDerWaalsContact CE1-O 3.3Å; F215-A299 WeakPolarHBondContact CE1-O 3.34Å; F215-A299 HydrophobicContact CZ-CB 3.94Å; L219-A299 HydrophobicContact CD2-CB 4.37Å; C297-A299 PolarHBondContact O-N 2.91Å; A299-L302 PolarHBondContact O-N 2.86Å; A299-L303 WeakPolarHBondContact O-CB 3.31Å; A299-L303 PolarHBondContact O-N 3.3Å; A299-Y325 HydrophobicContact CB-CD2 4.12Å; A299-Y325 HydrophobicContact CB-CE2 3.63Å
300Y96.9Very high95.7Very high10 Ų1057.6 Ų57.64%0.03927%0.27CS..Hα-helixtrans-64.5-43.6177172.1-94.8000112L284 Q285 M288 G295 C297 L302 L303 Q304L284-Y300 HydrophobicContact CB-CE2 4.49Å; L284-Y300 HydrophobicContact CD2-CE2 4.25Å; L284-Y300 HydrophobicContact CG-CE2 3.97Å; Q285-Y300 WeakPolarHBondContact CA-OH 3.2Å; Q285-Y300 HydrophobicContact CB-CE2 4.16Å; Q285-Y300 WeakPolarHBondContact CB-OH 3.15Å; Q285-Y300 PolarHBondContact N-OH 3.33Å; M288-Y300 HydrophobicContact CB-CD2 4.08Å; M288-Y300 HydrophobicContact CB-CE2 4.34Å; M288-Y300 HydrophobicContact CG-CD2 4.02Å; M288-Y300 HydrophobicContact CG-CE2 4.18Å; G295-Y300 WeakPolarHBondContact O-CD1 3.44Å; C297-Y300 WeakPolarHBondContact O-CB 3.4Å; C297-Y300 PolarHBondContact O-N 3.04Å; C297-Y300 VanDerWaalsContact O-N 3.11Å; C297-Y300 PolarHBondContact SG-N 3.18Å; Y300-L302 VanDerWaalsContact C-N 3.35Å; Y300-L302 PolarHBondContact O-N 3.35Å; Y300-L303 WeakPolarHBondContact O-CB 3.42Å; Y300-L303 PolarHBondContact O-N 3.44Å; Y300-L303 VanDerWaalsContact O-N 3.15Å; Y300-Q304 WeakPolarHBondContact O-CB 3.38Å; Y300-Q304 PolarHBondContact O-N 3.34Å
301Q97Very high95.8Very high77 Ų7750.5 Ų50.536%0.3624%0.241SC..Hα-helixtrans-59.2-44.2178.4-68175.6-10.300112.2C297 R298 R305C297-Q301 PolarHBondContact O-N 3.31Å; C297-Q301 VanDerWaalsContact O-N 3.17Å; R298-Q301 PolarHBondContact O-N 3.27Å; Q301-R305 WeakPolarHBondContact O-CG 3.48Å; Q301-R305 PolarHBondContact O-N 2.68Å
302L98.1Very high95.8Very high0 Ų053.5 Ų53.50%026%0.263CS..Hα-helixtrans-65.8-42.9173.9177.358.1000111.6L127 F215 R298 A299 Y300 Q304 R305 L306 A320 D323 Y325 F326L127-L302 HydrophobicContact CD2-CD2 3.75Å; F215-L302 HydrophobicContact CE1-CB 4.38Å; F215-L302 HydrophobicContact CE1-CD2 4.36Å; F215-L302 HydrophobicContact CE1-CG 4.32Å; R298-L302 PolarHBondContact O-N 3.31Å; R298-L302 VanDerWaalsContact O-N 3.11Å; A299-L302 PolarHBondContact O-N 2.86Å; Y300-L302 VanDerWaalsContact C-N 3.35Å; Y300-L302 PolarHBondContact O-N 3.35Å; L302-Q304 VanDerWaalsContact C-N 3.32Å; L302-Q304 PolarHBondContact O-N 3Å; L302-R305 WeakPolarHBondContact O-CB 3.27Å; L302-R305 PolarHBondContact O-N 3.13Å; L302-R305 VanDerWaalsContact O-N 3.16Å; L302-L306 HydrophobicContact CD1-CD1 4.31Å; L302-L306 HydrophobicContact CD1-CG 4.28Å; L302-L306 HydrophobicContact CG-CD1 4.05Å; L302-L306 HydrophobicContact CG-CG 4.49Å; L302-L306 WeakPolarHBondContact O-CG 3.47Å; L302-L306 PolarHBondContact O-N 3.26Å; L302-A320 HydrophobicContact CD1-CB 4.01Å; L302-D323 HydrophobicContact CD1-CB 3.94Å; L302-D323 HydrophobicContact CD2-CB 4.41Å; L302-Y325 HydrophobicContact CD2-CD1 3.57Å; L302-Y325 HydrophobicContact CD2-CE1 4.38Å; L302-Y325 HydrophobicContact CD2-CG 4.14Å; L302-F326 HydrophobicContact CD2-CE2 3.77Å; L302-F326 HydrophobicContact CD2-CZ 4.03Å
303L98.4Very high96Very high0 Ų048.3 Ų48.30%024%0.241CC..Hα-helixtrans-58.6-44.1178.318064.4000112G212 F215 A216 L219 L284 M288 A299 Y300 R305 L306 L307G212-L303 WeakPolarHBondContact O-CD1 3.35Å; F215-L303 HydrophobicContact CB-CD1 4.14Å; F215-L303 HydrophobicContact CD1-CB 3.9Å; F215-L303 HydrophobicContact CD1-CD1 3.74Å; F215-L303 HydrophobicContact CD1-CG 4.4Å; F215-L303 HydrophobicContact CE1-CB 3.91Å; F215-L303 HydrophobicContact CG-CD1 4.24Å; A216-L303 HydrophobicContact CB-CD1 3.95Å; A216-L303 HydrophobicContact CB-CD2 4.06Å; L219-L303 HydrophobicContact CD1-CD2 4.23Å; L284-L303 HydrophobicContact CD2-CG 4.39Å; M288-L303 HydrophobicContact CE-CD2 3.6Å; M288-L303 HydrophobicContact CG-CD2 4.15Å; M288-L303 HydrophobicContact SD-CD2 3.74Å; A299-L303 WeakPolarHBondContact O-CB 3.31Å; A299-L303 PolarHBondContact O-N 3.3Å; Y300-L303 WeakPolarHBondContact O-CB 3.42Å; Y300-L303 PolarHBondContact O-N 3.44Å; Y300-L303 VanDerWaalsContact O-N 3.15Å; L303-R305 PolarHBondContact O-N 3.18Å; L303-L306 PolarHBondContact O-N 3.06Å; L303-L307 HydrophobicContact CD1-CD1 3.73Å; L303-L307 HydrophobicContact CD1-CG 4.04Å; L303-L307 HydrophobicContact CG-CD1 4.09Å; L303-L307 PolarHBondContact O-N 2.92Å
304Q98Very high96.3Very high101 Ų10148.3 Ų48.347%0.47224%0.239SC..Hα-helixtrans-59.7-37.2178.4-173.2178.919.700111.9L284 Y300 L302 L307 T308L284-Q304 HydrophobicContact CD2-CB 4.27Å; Y300-Q304 WeakPolarHBondContact O-CB 3.38Å; Y300-Q304 PolarHBondContact O-N 3.34Å; L302-Q304 VanDerWaalsContact C-N 3.32Å; L302-Q304 PolarHBondContact O-N 3Å; Q304-L307 CarbonylContact O-C 3.46Å; Q304-T308 PolarHBondContact O-N 3Å; Q304-T308 PolarHBondContact O-OG1 3.16Å
305R98.3Very high96.6Very high91 Ų9142 Ų4234%0.34321%0.212SC..Hα-helixtrans-72.8-32.8177.5-73.318070.7-163.2-0.3113.4Q301 L302 L303 T308 V315 D323Q301-R305 WeakPolarHBondContact O-CG 3.48Å; Q301-R305 PolarHBondContact O-N 2.68Å; L302-R305 WeakPolarHBondContact O-CB 3.27Å; L302-R305 PolarHBondContact O-N 3.13Å; L302-R305 VanDerWaalsContact O-N 3.16Å; L303-R305 PolarHBondContact O-N 3.18Å; R305-T308 PolarHBondContact O-OG1 3.12Å; R305-V315 HydrophobicContact CB-CG1 3.64Å; R305-V315 HydrophobicContact CG-CG1 4.3Å; R305-V315 VanDerWaalsContact NE-CG1 3.34Å; R305-V315 PolarHBondContact O-N 3.44Å; R305-D323 IonicContact CZ-OD2 2.66Å; R305-D323 IonicContact NH1-OD2 3.12Å; R305-D323 PolarHBondContact NH1-OD2 3.14Å
306L98.7Very high97Very high0 Ų043.5 Ų43.50%022%0.221CC..Hα-helixtrans-73.6-38.7174.3-67.9166.7000111.6L131 I208 F215 L302 L303 T308 R314 V315 A320L131-L306 HydrophobicContact CD2-CD2 4.4Å; I208-L306 HydrophobicContact CG2-CD2 3.47Å; I208-L306 VanDerWaalsContact CG2-CD2 3.47Å; F215-L306 HydrophobicContact CD1-CD1 3.9Å; L302-L306 HydrophobicContact CD1-CD1 4.31Å; L302-L306 HydrophobicContact CD1-CG 4.28Å; L302-L306 HydrophobicContact CG-CD1 4.05Å; L302-L306 HydrophobicContact CG-CG 4.49Å; L302-L306 WeakPolarHBondContact O-CG 3.47Å; L302-L306 PolarHBondContact O-N 3.26Å; L303-L306 PolarHBondContact O-N 3.06Å; L306-T308 VanDerWaalsContact C-N 3.33Å; L306-T308 PolarHBondContact O-N 3.07Å; L306-R314 VanDerWaalsContact O-CD 3.28Å; L306-R314 WeakPolarHBondContact O-CD 3.41Å; L306-R314 VanDerWaalsContact O-CG 3.29Å; L306-R314 WeakPolarHBondContact O-CG 3.21Å; L306-V315 HydrophobicContact CD2-CG2 3.79Å; L306-V315 HydrophobicContact CG-CG2 4.4Å; L306-A320 HydrophobicContact CD2-CB 4.04Å
307L98.6Very high97.3Very high1 Ų138 Ų381%0.00519%0.192CC..THydrogen-bonded Turntrans-93.429.9179.7-65-177.6000113.4W209 I224 F225 M250 L284 L303 Q304 M309W209-L307 HydrophobicContact CD2-CD2 4.07Å; W209-L307 HydrophobicContact CE3-CD2 4.1Å; W209-L307 HydrophobicContact CZ3-CB 4.36Å; W209-L307 HydrophobicContact CZ3-CD2 4.34Å; W209-L307 WeakPolarHBondContact CZ3-O 3.49Å; I224-L307 HydrophobicContact CD1-CD1 3.84Å; F225-L307 HydrophobicContact CE2-CD1 4.44Å; F225-L307 HydrophobicContact CE2-CD2 4.11Å; F225-L307 HydrophobicContact CZ-CD1 4.24Å; F225-L307 HydrophobicContact CZ-CD2 4.48Å; M250-L307 HydrophobicContact CE-CB 4Å; M250-L307 WeakPolarHBondContact CE-O 3.45Å; M250-L307 HydrophobicContact SD-CB 4.48Å; L284-L307 HydrophobicContact CD1-CD1 4.37Å; L284-L307 HydrophobicContact CD2-CD1 4.46Å; L303-L307 HydrophobicContact CD1-CD1 3.73Å; L303-L307 HydrophobicContact CD1-CG 4.04Å; L303-L307 HydrophobicContact CG-CD1 4.09Å; L303-L307 PolarHBondContact O-N 2.92Å; Q304-L307 CarbonylContact O-C 3.46Å; L307-M309 PolarHBondContact O-N 3.17Å
308T98.4Very high97.5Very high36 Ų3639.5 Ų39.522%0.22120%0.195CC..  trans-67.1125.6170.9-57.10000109.9Q304 R305 L306 K313 R314Q304-T308 PolarHBondContact O-N 3Å; Q304-T308 PolarHBondContact O-OG1 3.16Å; R305-T308 PolarHBondContact O-OG1 3.12Å; L306-T308 VanDerWaalsContact C-N 3.33Å; L306-T308 PolarHBondContact O-N 3.07Å; T308-K313 HydrophobicContact CG2-CB 3.73Å; T308-R314 PolarHBondContact O-NE 3.13Å; T308-R314 PolarHBondContact O-NH2 2.77Å
309M97.8Very high97.7Very high24 Ų2439.1 Ų39.112%0.11820%0.197CC..SBendtrans-63.8-45.5-177.1-74.9-172.8-86.100112.4W209 M250 G251 P253 W258 L307 P311 R314W209-M309 HydrophobicContact CZ3-CG 4.43Å; M250-M309 HydrophobicContact CB-CE 4.23Å; M250-M309 HydrophobicContact CB-SD 4.28Å; G251-M309 WeakPolarHBondContact O-CE 3.47Å; P253-M309 HydrophobicContact CB-CE 3.64Å; P253-M309 HydrophobicContact CB-SD 3.87Å; P253-M309 HydrophobicContact CG-CE 4.25Å; P253-M309 HydrophobicContact CG-SD 3.92Å; W258-M309 HydrophobicContact CE3-CB 4.06Å; W258-M309 HydrophobicContact CZ3-CB 4.39Å; L307-M309 PolarHBondContact O-N 3.17Å; M309-P311 VanDerWaalsContact O-CD 3.31Å; M309-P311 WeakPolarHBondContact O-CD 3.35Å; M309-R314 PolarHBondContact O-NH2 3.33Å; M309-R314 VanDerWaalsContact O-NH2 3.11Å
310D97.5Very high97.9Very high5 Ų538.6 Ų38.63%0.02719%0.193CC..SBendtrans-69.7115.4174-173.8-21.5000110.1D257 W258 T312 K313 R314D257-D310 WeakPolarHBondContact O-CB 3.49Å; W258-D310 HydrophobicContact CB-CB 3.92Å; W258-D310 VanDerWaalsContact CD1-CG 3.46Å; W258-D310 HydrophobicContact CD2-CB 4.44Å; W258-D310 HydrophobicContact CG-CB 3.78Å; D310-T312 VanDerWaalsContact CG-OG1 3.26Å; D310-T312 PolarHBondContact O-N 3.33Å; D310-T312 WeakPolarHBondContact OD1-CB 3.42Å; D310-T312 PolarHBondContact OD1-N 3.17Å; D310-T312 PolarHBondContact OD1-OG1 3.4Å; D310-T312 PolarHBondContact OD2-OG1 2.79Å; D310-K313 HydrophobicContact CB-CB 4.26Å; D310-K313 HydrophobicContact CB-CD 4.07Å; D310-K313 HydrophobicContact CB-CG 4.22Å; D310-K313 PolarHBondContact O-N 2.79Å; D310-K313 VanDerWaalsContact O-N 3.13Å; D310-K313 WeakPolarHBondContact OD2-CE 3.27Å; D310-K313 IonicContact OD2-NZ 3.66Å; D310-R314 PolarHBondContact O-N 3.06Å
311P96.5Very high97.9Very high26 Ų2639.2 Ų39.217%0.16920%0.196CC..THydrogen-bonded Turntrans-63.9-21.5-177.926-34.6000113.4E194 A205 M309 K313E194-P311 HydrophobicContact CB-CG 4.3Å; E194-P311 HydrophobicContact CG-CB 4.41Å; E194-P311 HydrophobicContact CG-CG 4.21Å; A205-P311 HydrophobicContact CB-CB 3.82Å; A205-P311 WeakPolarHBondContact CB-O 3.39Å; M309-P311 VanDerWaalsContact O-CD 3.31Å; M309-P311 WeakPolarHBondContact O-CD 3.35Å; P311-K313 VanDerWaalsContact C-N 3.34Å
312T95.6Very high97.8Very high105 Ų10539.7 Ų39.764%0.64420%0.201SC*.THydrogen-bonded Turntrans-78-21.4178.6690000112.9D310D310-T312 VanDerWaalsContact CG-OG1 3.26Å; D310-T312 PolarHBondContact O-N 3.33Å; D310-T312 WeakPolarHBondContact OD1-CB 3.42Å; D310-T312 PolarHBondContact OD1-N 3.17Å; D310-T312 PolarHBondContact OD1-OG1 3.4Å; D310-T312 PolarHBondContact OD2-OG1 2.79Å
313K97.4Very high97.8Very high91 Ų9140.3 Ų40.340%0.39621%0.205SC..SBendtrans-101.1-2.9178.4-61176.1-171.9164.10112.5K256 D257 T308 D310 P311K256-K313 PolarHBondContact O-NZ 3.41Å; D257-K313 PolarHBondContact O-NZ 2.85Å; T308-K313 HydrophobicContact CG2-CB 3.73Å; D310-K313 HydrophobicContact CB-CB 4.26Å; D310-K313 HydrophobicContact CB-CD 4.07Å; D310-K313 HydrophobicContact CB-CG 4.22Å; D310-K313 PolarHBondContact O-N 2.79Å; D310-K313 VanDerWaalsContact O-N 3.13Å; D310-K313 WeakPolarHBondContact OD2-CE 3.27Å; D310-K313 IonicContact OD2-NZ 3.66Å; P311-K313 VanDerWaalsContact C-N 3.34Å
314R98.1Very high97.6Very high16 Ų1644 Ų446%0.0622%0.223CC..SBendtrans-76.9134.9177.8-161.7178-60.4142.35.4109.3E194 A205 I208 L306 T308 M309 D310E194-R314 IonicContact OE1-CZ 3Å; E194-R314 IonicContact OE1-NH1 3.86Å; E194-R314 PolarHBondContact OE1-NH1 3.41Å; E194-R314 IonicContact OE1-NH2 3.12Å; E194-R314 PolarHBondContact OE1-NH2 2.88Å; E194-R314 IonicContact OE2-CZ 2.73Å; E194-R314 IonicContact OE2-NH1 2.73Å; E194-R314 IonicContact OE2-NH2 3.2Å; E194-R314 PolarHBondContact OE2-NH2 2.93Å; A205-R314 HydrophobicContact CB-CB 4.47Å; A205-R314 VanDerWaalsContact O-CD 3.3Å; A205-R314 WeakPolarHBondContact O-CD 3.3Å; A205-R314 PolarHBondContact O-NH1 3.27Å; I208-R314 HydrophobicContact CB-CG 4.4Å; I208-R314 HydrophobicContact CG2-CG 3.98Å; L306-R314 VanDerWaalsContact O-CD 3.28Å; L306-R314 WeakPolarHBondContact O-CD 3.41Å; L306-R314 VanDerWaalsContact O-CG 3.29Å; L306-R314 WeakPolarHBondContact O-CG 3.21Å; T308-R314 PolarHBondContact O-NE 3.13Å; T308-R314 PolarHBondContact O-NH2 2.77Å; M309-R314 PolarHBondContact O-NH2 3.33Å; M309-R314 VanDerWaalsContact O-NH2 3.11Å; D310-R314 PolarHBondContact O-N 3.06Å
315V98.4Very high97.5Very high12 Ų1240 Ų407%0.07320%0.204CC..PPolyproline II helixtrans-64153.9-177-55.20000111.7I208 R305 L306 E319 A320I208-V315 HydrophobicContact CG2-CG2 4.35Å; I208-V315 WeakPolarHBondContact CG2-O 3.31Å; R305-V315 HydrophobicContact CB-CG1 3.64Å; R305-V315 HydrophobicContact CG-CG1 4.3Å; R305-V315 VanDerWaalsContact NE-CG1 3.34Å; R305-V315 PolarHBondContact O-N 3.44Å; L306-V315 HydrophobicContact CD2-CG2 3.79Å; L306-V315 HydrophobicContact CG-CG2 4.4Å; V315-E319 HydrophobicContact CB-CB 4.22Å; V315-A320 HydrophobicContact CG2-CB 3.95Å
316S98.5Very high97.4Very high47 Ų4736.4 Ų36.433%0.32919%0.191SC..PPolyproline II helixtrans-76.7164.1165.965.10000111.7Q318 E319 A320S316-Q318 VanDerWaalsContact C-N 3.25Å; S316-Q318 PolarHBondContact O-N 2.68Å; S316-E319 WeakPolarHBondContact CB-OE2 3.46Å; S316-E319 PolarHBondContact N-OE2 3.37Å; S316-E319 PolarHBondContact O-N 3.47Å; S316-E319 VanDerWaalsContact OG-CG 3.26Å; S316-E319 WeakPolarHBondContact OG-CG 3.42Å; S316-E319 PolarHBondContact OG-N 2.95Å; S316-E319 PolarHBondContact OG-OE2 2.93Å; S316-A320 WeakPolarHBondContact O-CB 3.35Å; S316-A320 PolarHBondContact O-N 3.39Å
317A98.3Very high97Very high2 Ų242.7 Ų42.72%0.01722%0.219CC..Hα-helixtrans-57.7-39.8173.900000112.1L131 I134 H135 I208 A320 M321L131-A317 HydrophobicContact CD2-CB 4.41Å; I134-A317 HydrophobicContact CG2-CB 4.15Å; H135-A317 HydrophobicContact CB-CB 3.83Å; I208-A317 HydrophobicContact CD1-CB 3.83Å; A317-A320 PolarHBondContact O-N 3.03Å; A317-M321 VanDerWaalsContact O-CG 3.3Å; A317-M321 WeakPolarHBondContact O-CG 3.43Å; A317-M321 PolarHBondContact O-N 2.93Å
318Q97.9Very high96.3Very high71 Ų7146 Ų4633%0.33224%0.238SC..Hα-helixtrans-62.7-51.4177.6-17860.157.300111.5H135 S316 A320 M321 D322H135-Q318 PolarHBondContact CE1-OE1 3.27Å; H135-Q318 VanDerWaalsContact CE1-OE1 3.3Å; S316-Q318 VanDerWaalsContact C-N 3.25Å; S316-Q318 PolarHBondContact O-N 2.68Å; Q318-A320 PolarHBondContact O-N 3.17Å; Q318-M321 PolarHBondContact O-N 3.42Å; Q318-M321 VanDerWaalsContact O-N 3.07Å; Q318-D322 PolarHBondContact NE2-OD1 3.16Å; Q318-D322 PolarHBondContact NE2-OD2 3.37Å; Q318-D322 PolarHBondContact O-N 2.93Å
319E98.1Very high95.4Very high96 Ų9652.8 Ų52.845%0.44927%0.265SS..Hα-helixtrans-61.9-31.5179.1-70.5165.5126.800112.6V315 S316 D323V315-E319 HydrophobicContact CB-CB 4.22Å; S316-E319 WeakPolarHBondContact CB-OE2 3.46Å; S316-E319 PolarHBondContact N-OE2 3.37Å; S316-E319 PolarHBondContact O-N 3.47Å; S316-E319 VanDerWaalsContact OG-CG 3.26Å; S316-E319 WeakPolarHBondContact OG-CG 3.42Å; S316-E319 PolarHBondContact OG-N 2.95Å; S316-E319 PolarHBondContact OG-OE2 2.93Å; E319-D323 PolarHBondContact O-N 3.04Å
320A98.4Very high94.6Very high0 Ų053.4 Ų53.40%027%0.271CS..Hα-helixtrans-69.3-42.6173.100000111.9L131 L302 L306 V315 S316 A317 Q318 D322 D323 F326L131-A320 HydrophobicContact CD1-CB 3.72Å; L131-A320 HydrophobicContact CD2-CB 3.79Å; L131-A320 HydrophobicContact CG-CB 4.4Å; L302-A320 HydrophobicContact CD1-CB 4.01Å; L306-A320 HydrophobicContact CD2-CB 4.04Å; V315-A320 HydrophobicContact CG2-CB 3.95Å; S316-A320 WeakPolarHBondContact O-CB 3.35Å; S316-A320 PolarHBondContact O-N 3.39Å; A317-A320 PolarHBondContact O-N 3.03Å; Q318-A320 PolarHBondContact O-N 3.17Å; A320-D322 VanDerWaalsContact C-N 3.28Å; A320-D322 PolarHBondContact O-N 3.5Å; A320-D323 WeakPolarHBondContact O-CB 3.36Å; A320-D323 PolarHBondContact O-N 2.88Å; A320-F326 WeakPolarHBondContact O-CD2 3.25Å; A320-F326 WeakPolarHBondContact O-CE2 3.37Å
321M97.1Very high93.7Very high22 Ų2261.8 Ų61.811%0.10830%0.302CS..Hα-helixtrans-63.5-34.2176.1-70.2168.96800112.5F128 L131 D132 H135 A317 Q318 D323 F326F128-M321 HydrophobicContact CE1-CE 4.26Å; F128-M321 HydrophobicContact CE2-CB 4.16Å; F128-M321 HydrophobicContact CE2-CE 4.25Å; F128-M321 HydrophobicContact CE2-CG 4.34Å; F128-M321 HydrophobicContact CZ-CE 3.83Å; L131-M321 HydrophobicContact CB-CG 3.59Å; L131-M321 HydrophobicContact CB-SD 4.2Å; L131-M321 HydrophobicContact CD1-CG 4.32Å; D132-M321 HydrophobicContact CB-CE 3.79Å; D132-M321 HydrophobicContact CB-SD 4.29Å; D132-M321 WeakPolarHBondContact OD1-CE 3.48Å; H135-M321 HydrophobicContact CB-SD 4Å; A317-M321 VanDerWaalsContact O-CG 3.3Å; A317-M321 WeakPolarHBondContact O-CG 3.43Å; A317-M321 PolarHBondContact O-N 2.93Å; Q318-M321 PolarHBondContact O-N 3.42Å; Q318-M321 VanDerWaalsContact O-N 3.07Å; M321-D323 PolarHBondContact O-N 2.88Å; M321-F326 WeakPolarHBondContact O-CD2 3.16Å
322D96.5Very high92.5Very high87 Ų8762 Ų6247%0.46531%0.306SS..THydrogen-bonded Turntrans-77.6-3.4178-68.9-38.6000113.9Q318 A320 K327Q318-D322 PolarHBondContact NE2-OD1 3.16Å; Q318-D322 PolarHBondContact NE2-OD2 3.37Å; Q318-D322 PolarHBondContact O-N 2.93Å; A320-D322 VanDerWaalsContact C-N 3.28Å; A320-D322 PolarHBondContact O-N 3.5Å; D322-K327 WeakPolarHBondContact O-CE 3.47Å; D322-K327 PolarHBondContact O-NZ 3.31Å
323D97.2Very high91.4Very high14 Ų1458.6 Ų58.68%0.07529%0.286CS..SBendtrans-62.9146.2-178.3-164.8-78.2000112.2L302 R305 E319 A320 M321 Y325 F326L302-D323 HydrophobicContact CD1-CB 3.94Å; L302-D323 HydrophobicContact CD2-CB 4.41Å; R305-D323 IonicContact CZ-OD2 2.66Å; R305-D323 IonicContact NH1-OD2 3.12Å; R305-D323 PolarHBondContact NH1-OD2 3.14Å; E319-D323 PolarHBondContact O-N 3.04Å; A320-D323 WeakPolarHBondContact O-CB 3.36Å; A320-D323 PolarHBondContact O-N 2.88Å; M321-D323 PolarHBondContact O-N 2.88Å; D323-Y325 PolarHBondContact O-N 3.16Å; D323-Y325 VanDerWaalsContact O-N 3.12Å; D323-Y325 WeakPolarHBondContact OD1-CB 3.46Å; D323-Y325 PolarHBondContact OD1-N 3.28Å; D323-F326 PolarHBondContact O-N 3.33Å; D323-F326 VanDerWaalsContact O-N 3.1Å
324I95Very high89.9Confident76 Ų7658.8 Ų58.839%0.3929%0.291SS..Hα-helixtrans-61-22.2179.6-165.5152.2000113.2F326 K327 V328I324-F326 PolarHBondContact O-N 3.24Å; I324-K327 PolarHBondContact O-N 3.45Å; I324-K327 VanDerWaalsContact O-N 3.07Å; I324-V328 HydrophobicContact CG1-CG2 4.13Å; I324-V328 WeakPolarHBondContact O-CG2 3.23Å; I324-V328 PolarHBondContact O-N 2.93Å; I324-V328 VanDerWaalsContact O-N 3.13Å
325Y95.4Very high88.2Confident18 Ų1861.8 Ų61.87%0.07131%0.311CS..Hα-helixtrans-51.6-39.2171.7176.2-117.4000112.9K124 L127 F215 R298 A299 L302 D323K124-Y325 HydrophobicContact CB-CE1 4.06Å; K124-Y325 WeakPolarHBondContact CB-OH 3.24Å; K124-Y325 HydrophobicContact CD-CE1 4.37Å; K124-Y325 VanDerWaalsContact CE-O 3.27Å; K124-Y325 WeakPolarHBondContact CE-O 3.45Å; K124-Y325 HydrophobicContact CG-CD1 4.29Å; K124-Y325 HydrophobicContact CG-CE1 3.66Å; K124-Y325 PolarHBondContact NZ-O 3.4Å; L127-Y325 HydrophobicContact CD2-CD1 4.46Å; L127-Y325 HydrophobicContact CD2-CE1 4.07Å; F215-Y325 HydrophobicContact CE2-CE1 4.38Å; F215-Y325 AromaticContact CZ-CE1 3.95Å; F215-Y325 HydrophobicContact CZ-CE1 3.95Å; R298-Y325 HydrophobicContact CB-CD2 4.1Å; A299-Y325 HydrophobicContact CB-CD2 4.12Å; A299-Y325 HydrophobicContact CB-CE2 3.63Å; L302-Y325 HydrophobicContact CD2-CD1 3.57Å; L302-Y325 HydrophobicContact CD2-CE1 4.38Å; L302-Y325 HydrophobicContact CD2-CG 4.14Å; D323-Y325 PolarHBondContact O-N 3.16Å; D323-Y325 VanDerWaalsContact O-N 3.12Å; D323-Y325 WeakPolarHBondContact OD1-CB 3.46Å; D323-Y325 PolarHBondContact OD1-N 3.28Å
326F95Very high86.1Confident16 Ų1666.4 Ų66.47%0.0733%0.33CS..Hα-helixtrans-82.8-21.4179.2-62.6-62.5000113.7K124 L127 F128 L131 L302 A320 M321 D323 I324 A332K124-F326 HydrophobicContact CD-CD1 4.19Å; K124-F326 HydrophobicContact CG-CD1 3.62Å; K124-F326 HydrophobicContact CG-CE1 3.78Å; K124-F326 WeakPolarHBondContact O-CE1 3.41Å; L127-F326 HydrophobicContact CB-CE1 4.48Å; L127-F326 HydrophobicContact CB-CZ 4.31Å; L127-F326 HydrophobicContact CD2-CE1 4.39Å; L127-F326 HydrophobicContact CD2-CZ 3.74Å; L127-F326 HydrophobicContact CG-CZ 3.88Å; F128-F326 HydrophobicContact CB-CD1 4Å; F128-F326 HydrophobicContact CB-CE1 3.64Å; F128-F326 HydrophobicContact CB-CZ 4.16Å; F128-F326 HydrophobicContact CD2-CB 4.27Å; F128-F326 AromaticContact CD2-CD1 3.69Å; F128-F326 HydrophobicContact CD2-CD1 3.69Å; F128-F326 HydrophobicContact CD2-CD2 4Å; F128-F326 AromaticContact CD2-CE1 3.96Å; F128-F326 HydrophobicContact CD2-CE1 3.96Å; F128-F326 HydrophobicContact CD2-CE2 4.23Å; F128-F326 AromaticContact CD2-CG 3.72Å; F128-F326 HydrophobicContact CD2-CG 3.72Å; F128-F326 HydrophobicContact CD2-CZ 4.2Å; F128-F326 HydrophobicContact CE2-CG 4.37Å; F128-F326 HydrophobicContact CG-CD1 4.29Å; F128-F326 HydrophobicContact CG-CE1 4.31Å; L131-F326 HydrophobicContact CD1-CE2 3.81Å; L131-F326 HydrophobicContact CD1-CZ 3.83Å; L302-F326 HydrophobicContact CD2-CE2 3.77Å; L302-F326 HydrophobicContact CD2-CZ 4.03Å; A320-F326 WeakPolarHBondContact O-CD2 3.25Å; A320-F326 WeakPolarHBondContact O-CE2 3.37Å; M321-F326 WeakPolarHBondContact O-CD2 3.16Å; D323-F326 PolarHBondContact O-N 3.33Å; D323-F326 VanDerWaalsContact O-N 3.1Å; I324-F326 PolarHBondContact O-N 3.24Å; F326-A332 HydrophobicContact CD1-CB 4.29Å
327K90.2Very high85.5Confident132 Ų13267.4 Ų67.457%0.57433%0.331SS*.Hα-helixtrans-79.4-28.7178.9-62.6174.8176.9158.30112.5D322 I324D322-K327 WeakPolarHBondContact O-CE 3.47Å; D322-K327 PolarHBondContact O-NZ 3.31Å; I324-K327 PolarHBondContact O-N 3.45Å; I324-K327 VanDerWaalsContact O-N 3.07Å
328V85.6Confident84.8Confident69 Ų6970.8 Ų70.842%0.41835%0.347SS..SBendtrans-81.3140.1179.21770000111.5K124 I324 P330K124-V328 PolarHBondContact NZ-O 3.38Å; I324-V328 HydrophobicContact CG1-CG2 4.13Å; I324-V328 WeakPolarHBondContact O-CG2 3.23Å; I324-V328 PolarHBondContact O-N 2.93Å; I324-V328 VanDerWaalsContact O-N 3.13Å; V328-P330 CarbonylContact O-C 3.27Å
329F78.4Confident84.1Confident180 Ų18070.8 Ų70.879%0.78935%0.348SS*.SBendtrans-63.5143.9177.1-169.1-89.9000112.3
330P81.1Confident83.3Confident36 Ų3669.3 Ų69.323%0.23434%0.342CS..SBendcis-66.3136.9-6.929.2-34.1000110.1R121 K124 V328R121-P330 HydrophobicContact CB-CB 4.26Å; R121-P330 HydrophobicContact CB-CG 4Å; R121-P330 HydrophobicContact CG-CB 4.22Å; R121-P330 HydrophobicContact CG-CG 4.46Å; K124-P330 WeakPolarHBondContact CD-O 3.47Å; K124-P330 VanDerWaalsContact CE-O 3.31Å; K124-P330 WeakPolarHBondContact CE-O 3.39Å; K124-P330 PolarHBondContact NZ-O 3.1Å; V328-P330 CarbonylContact O-C 3.27Å
331R78.8Confident82.3Confident182 Ų18273.6 Ų73.669%0.68736%0.363SS*.PPolyproline II helixtrans-68.5153.2173-68.6-176.6-179.8170.91.3109.2S333R331-S333 PolarHBondContact O-N 2.66Å
332A72Confident81.4Confident30 Ų3077.1 Ų77.125%0.24838%0.38CS..PPolyproline II helixtrans-58.2134167.300000108.9K124 F128 F326K124-A332 HydrophobicContact CG-CB 4.36Å; F128-A332 HydrophobicContact CB-CB 3.78Å; F128-A332 HydrophobicContact CD1-CB 4.44Å; F128-A332 HydrophobicContact CD2-CB 4.38Å; F128-A332 HydrophobicContact CG-CB 3.94Å; F326-A332 HydrophobicContact CD1-CB 4.29Å
333S72Confident80.3Confident33 Ų3376.4 Ų76.423%0.23137%0.374CS..  trans-111.5139.1169.6-165.90000108.9S125 R331 V335S125-S333 VanDerWaalsContact CB-O 3.26Å; S125-S333 WeakPolarHBondContact CB-O 3.45Å; S125-S333 PolarHBondContact OG-N 3.11Å; S125-S333 PolarHBondContact OG-O 3.11Å; R331-S333 PolarHBondContact O-N 2.66Å; S333-V335 WeakPolarHBondContact CB-O 3.24Å; S333-V335 PolarHBondContact O-N 3.12Å; S333-V335 PolarHBondContact OG-O 2.63Å
334L65.4Low79Confident96 Ų9681.2 Ų81.250%0.50340%0.397SS..SBendtrans-790.1179-63.3173.6000113F128 Q129F128-L334 HydrophobicContact CD1-CD2 4.35Å; F128-L334 HydrophobicContact CE1-CD2 4.48Å; Q129-L334 HydrophobicContact CG-CD2 3.97Å
335V62.2Low77.6Confident78 Ų7881.6 Ų81.647%0.47340%0.398SS..  trans-150.1138.7-175.3-112.10000107.3D157 S333D157-V335 HydrophobicContact CB-CG1 4.35Å; D157-V335 WeakPolarHBondContact O-CG1 3.29Å; S333-V335 WeakPolarHBondContact CB-O 3.24Å; S333-V335 PolarHBondContact O-N 3.12Å; S333-V335 PolarHBondContact OG-O 2.63Å
336F55.6Low76Confident109 Ų10987.4 Ų87.448%0.47843%0.428SS..  trans-95.70-176.8-73.9-57.2000114.2M122 S125 L126 L154M122-F336 VanDerWaalsContact CA-CE1 3.48Å; M122-F336 HydrophobicContact CB-CE1 4.11Å; M122-F336 HydrophobicContact CB-CZ 4.24Å; M122-F336 HydrophobicContact CG-CE1 4.16Å; M122-F336 HydrophobicContact CG-CE2 4.25Å; M122-F336 HydrophobicContact CG-CZ 3.84Å; S125-F336 WeakPolarHBondContact OG-CE1 3.17Å; L126-F336 HydrophobicContact CD2-CE2 3.99Å; L126-F336 HydrophobicContact CD2-CZ 4.36Å; L126-F336 HydrophobicContact CG-CE2 4.2Å; L126-F336 HydrophobicContact CG-CZ 4.08Å; L154-F336 HydrophobicContact CD1-CE2 4.39Å

Retrieved 336 of 336 residues in 112.1 ms (Link to these results)

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