A0A096LRT3_POEFO Loading...

Geranylgeranyl transferase type-1 subunit beta

AlphaFold DB , UniProt , Accession A0A096LRT3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 374 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
1T56.1Low38.8Very low178 Ų178156.8 Ų156.8100%1.09279%0.787SS**  042.50-22.90000112.5
2K38.2Very low39.1Very low173 Ų173160 Ų16075%0.75280%0.797SS**  trans-153.50.5169.4-107.7-173.8-179.9-172.30113.2
3M32Very low40.1Very low171 Ų171157.8 Ų157.884%0.84278%0.78SS**SBendtrans-105.2-2.9176.4-80.3-179.763.100112.9
4A37.2Very low41.3Very low88 Ų88157.6 Ų157.673%0.72778%0.776SS**SBendtrans-104.81.4178.400000112.5
5E34.3Very low43Very low149 Ų149158.2 Ų158.270%0.69678%0.776SS**SBendtrans-106.1-6.9-179.4-71.9176.6166.900112.5
6E35.2Very low45.5Very low165 Ų165150.6 Ų150.677%0.77174%0.74SS**SBendtrans-96.5-7.5-179.5-71.4-178.7167.700113.8
7E36.3Very low48.3Very low179 Ų179147.5 Ų147.584%0.83673%0.727SS**SBendtrans-91.44178.1-75.8-174.7161.100114.2
8N33.3Very low51Low119 Ų119141.1 Ų141.164%0.63669%0.694SS**  trans-113.922.6-172.9-126.119000114.5F10N8-F10 PolarHBondContact O-N 3.01Å; N8-F10 WeakPolarHBondContact OD1-CE2 3.17Å
9Q36.1Very low53.4Low183 Ų183135.6 Ų135.686%0.85567%0.668SS**  trans-77.876.2159.4-72.8-173.7-2.100107.9E11Q9-E11 PolarHBondContact O-N 2.87Å; Q9-E11 VanDerWaalsContact O-N 3.09Å
10F40.8Very low55.7Low170 Ų170131.6 Ų131.675%0.74665%0.647SS**  trans-51.9117.5160.6-84.6-89.2000107.1N8 E12N8-F10 PolarHBondContact O-N 3.01Å; N8-F10 WeakPolarHBondContact OD1-CE2 3.17Å; F10-E12 VanDerWaalsContact C-N 3.34Å; F10-E12 PolarHBondContact O-N 3.09Å
11E46.9Very low57.7Low150 Ų150130.9 Ų130.970%0.70165%0.645SS**  trans-50.8104164.3-71.5175.2155.900106.7Q9 F13Q9-E11 PolarHBondContact O-N 2.87Å; Q9-E11 VanDerWaalsContact O-N 3.09Å; E11-F13 HydrophobicContact CB-CD2 4.33Å; E11-F13 HydrophobicContact CB-CE2 4.07Å; E11-F13 HydrophobicContact CB-CZ 4.48Å; E11-F13 WeakPolarHBondContact O-CD2 3.41Å; E11-F13 PolarHBondContact O-N 2.99Å; E11-F13 WeakPolarHBondContact OE2-CZ 3.46Å
12E43Very low59.7Low195 Ų195126.8 Ų126.891%0.91161%0.61SS**  trans-60.689.4160.9-109.3-179.9168.700105.1F10 E14F10-E12 VanDerWaalsContact C-N 3.34Å; F10-E12 PolarHBondContact O-N 3.09Å; E12-E14 PolarHBondContact O-N 2.79Å
13F52.2Low62.6Low132 Ų132118.6 Ų118.658%0.57957%0.574SS**  trans-57.5112.6166.7-77.1-84.2000105.5E11 Q15E11-F13 HydrophobicContact CB-CD2 4.33Å; E11-F13 HydrophobicContact CB-CE2 4.07Å; E11-F13 HydrophobicContact CB-CZ 4.48Å; E11-F13 WeakPolarHBondContact O-CD2 3.41Å; E11-F13 PolarHBondContact O-N 2.99Å; E11-F13 WeakPolarHBondContact OE2-CZ 3.46Å; F13-Q15 PolarHBondContact O-N 2.81Å
14E56.2Low65.8Low154 Ų154111.2 Ų111.272%0.7254%0.539SS*.  trans-50.8116.1169.4-170.5179.9178.500106.4E12 I16E12-E14 PolarHBondContact O-N 2.79Å; E14-I16 VanDerWaalsContact C-N 3.26Å; E14-I16 PolarHBondContact O-N 2.95Å
15Q66.6Low68.7Low167 Ų167112.7 Ų112.778%0.7853%0.525SS*.  trans-72.390-176.9-166171.96.300107.2F13 D17F13-Q15 PolarHBondContact O-N 2.81Å; Q15-D17 PolarHBondContact O-N 3.32Å
16I84.1Confident71.8Confident37 Ų37106.5 Ų106.519%0.1950%0.497CS..PPolyproline II helixtrans-73.5117.8178.5-60.4171.7000107.4E14 L296E14-I16 VanDerWaalsContact C-N 3.26Å; E14-I16 PolarHBondContact O-N 2.95Å; I16-L296 HydrophobicContact CB-CB 4.18Å; I16-L296 HydrophobicContact CG2-CB 4.03Å; I16-L296 WeakPolarHBondContact O-CD1 3.46Å
17D92Very high74.8Confident98 Ų9898.7 Ų98.752%0.52446%0.46SS..PPolyproline II helixtrans-71.2146.4174.8-65.4-36.8000111.6Q15 Q299Q15-D17 PolarHBondContact O-N 3.32Å; D17-Q299 PolarHBondContact O-NE2 2.89Å
18F97.4Very high77.8Confident32 Ų3292.9 Ų92.914%0.1443%0.433CS..PPolyproline II helixtrans-78.7120.7171.1173.9-117.7000110.7K20 H23 L59 L296 F306 L323 L326 E331 L334F18-K20 HydrophobicContact CD1-CB 4.28Å; F18-K20 HydrophobicContact CE1-CB 3.81Å; F18-K20 HydrophobicContact CE1-CG 4.39Å; F18-K20 HydrophobicContact CZ-CB 4.45Å; F18-K20 PolarHBondContact O-N 3.03Å; F18-H23 AromaticContact CD2-NE2 3.88Å; F18-H23 AromaticContact CE2-CD2 3.29Å; F18-H23 WeakPolarHBondContact CE2-CD2 3.42Å; F18-H23 AromaticContact CE2-NE2 3.49Å; F18-H23 WeakPolarHBondContact CE2-NE2 3.14Å; F18-H23 AromaticContact CZ-CD2 3.77Å; F18-L59 HydrophobicContact CE1-CD2 4.25Å; F18-L59 HydrophobicContact CZ-CD2 3.74Å; F18-L296 HydrophobicContact CB-CD2 4.17Å; F18-L296 HydrophobicContact CD2-CD2 4.1Å; F18-F306 HydrophobicContact CD2-CZ 4.17Å; F18-F306 HydrophobicContact CE2-CE2 4.22Å; F18-F306 AromaticContact CE2-CZ 3.98Å; F18-F306 HydrophobicContact CE2-CZ 3.98Å; F18-L323 HydrophobicContact CE2-CD2 3.46Å; F18-L323 VanDerWaalsContact CE2-CD2 3.46Å; F18-L323 HydrophobicContact CZ-CD2 3.38Å; F18-L326 HydrophobicContact CD2-CD1 3.91Å; F18-L326 HydrophobicContact CE2-CD1 3.99Å; F18-E331 HydrophobicContact CD1-CG 4.49Å; F18-L334 HydrophobicContact CE1-CD2 3.65Å; F18-L334 HydrophobicContact CE1-CG 4.3Å; F18-L334 HydrophobicContact CZ-CD1 4.49Å; F18-L334 HydrophobicContact CZ-CD2 3.77Å
19L97.6Very high80.9Confident36 Ų3692.1 Ų92.119%0.18842%0.421CS..  trans-96.461.8-169.1-59.1175.9000112.2D21 R22 H23 Q299 R301L19-D21 PolarHBondContact O-N 3.28Å; L19-R22 HydrophobicContact CB-CB 4.13Å; L19-R22 HydrophobicContact CB-CG 4.18Å; L19-R22 WeakPolarHBondContact O-CB 3.43Å; L19-R22 PolarHBondContact O-N 2.85Å; L19-H23 VanDerWaalsContact C-CD2 3.48Å; L19-H23 PolarHBondContact O-CD2 2.91Å; L19-H23 PolarHBondContact O-N 2.86Å; L19-Q299 HydrophobicContact CD1-CG 4.46Å; L19-R301 HydrophobicContact CD1-CB 4.02Å; L19-R301 HydrophobicContact CD1-CG 4.01Å
20K98.1Very high83.8Confident56 Ų5684.2 Ų84.224%0.24339%0.385CS..Hα-helixtrans-40.4-56.4-176.1-178.8167.5178.4162.30113.9F18 R22 H23 V24 L59 D333F18-K20 HydrophobicContact CD1-CB 4.28Å; F18-K20 HydrophobicContact CE1-CB 3.81Å; F18-K20 HydrophobicContact CE1-CG 4.39Å; F18-K20 HydrophobicContact CZ-CB 4.45Å; F18-K20 PolarHBondContact O-N 3.03Å; K20-R22 PolarHBondContact O-N 3.33Å; K20-R22 VanDerWaalsContact O-N 3.17Å; K20-H23 WeakPolarHBondContact O-CB 3.18Å; K20-H23 PolarHBondContact O-N 2.81Å; K20-V24 PolarHBondContact O-N 3.16Å; K20-L59 WeakPolarHBondContact CE-O 3.46Å; K20-L59 HydrophobicContact CG-CD2 4.06Å; K20-L59 PolarHBondContact NZ-O 3Å; K20-D333 HydrophobicContact CD-CB 4.11Å; K20-D333 PolarHBondContact NZ-O 3.11Å
21D98.2Very high86.6Confident116 Ų11677.6 Ų77.662%0.6236%0.357SS*.Hα-helixtrans-62.7-25.6-177.6-65-22.9000114.3L19 R25L19-D21 PolarHBondContact O-N 3.28Å; D21-R25 WeakPolarHBondContact O-CG 3.4Å; D21-R25 PolarHBondContact O-N 3.01Å; D21-R25 PolarHBondContact O-NE 3.41Å
22R98.4Very high88.9Confident93 Ų9377.3 Ų77.335%0.35136%0.356SS..Hα-helixtrans-76-39.2174.9-65.2-168.1-174.7-95.9-0.6110.8L19 K20 R25 F26 R301 L302L19-R22 HydrophobicContact CB-CB 4.13Å; L19-R22 HydrophobicContact CB-CG 4.18Å; L19-R22 WeakPolarHBondContact O-CB 3.43Å; L19-R22 PolarHBondContact O-N 2.85Å; K20-R22 PolarHBondContact O-N 3.33Å; K20-R22 VanDerWaalsContact O-N 3.17Å; R22-R25 PolarHBondContact O-N 3.29Å; R22-F26 WeakPolarHBondContact O-CB 3.41Å; R22-F26 PolarHBondContact O-N 3.06Å; R22-R301 WeakPolarHBondContact CD-O 3.21Å; R22-R301 PolarHBondContact NE-O 3.02Å; R22-R301 PolarHBondContact NH1-O 3.03Å; R22-L302 PolarHBondContact NH1-O 3.34Å
23H98.8Very high91.5Very high0 Ų074 Ų740%035%0.349CS..Hα-helixtrans-65-41.5174.6-60.7-65.4000112.1F18 L19 K20 R25 F26 F27 L59 Q299 G305 F306F18-H23 AromaticContact CD2-NE2 3.88Å; F18-H23 AromaticContact CE2-CD2 3.29Å; F18-H23 WeakPolarHBondContact CE2-CD2 3.42Å; F18-H23 AromaticContact CE2-NE2 3.49Å; F18-H23 WeakPolarHBondContact CE2-NE2 3.14Å; F18-H23 AromaticContact CZ-CD2 3.77Å; L19-H23 VanDerWaalsContact C-CD2 3.48Å; L19-H23 PolarHBondContact O-CD2 2.91Å; L19-H23 PolarHBondContact O-N 2.86Å; K20-H23 WeakPolarHBondContact O-CB 3.18Å; K20-H23 PolarHBondContact O-N 2.81Å; H23-R25 PolarHBondContact O-N 2.94Å; H23-F26 WeakPolarHBondContact O-CB 3.33Å; H23-F26 PolarHBondContact O-N 3.47Å; H23-F26 VanDerWaalsContact O-N 3.12Å; H23-F27 VanDerWaalsContact O-CD2 3.26Å; H23-F27 WeakPolarHBondContact O-CD2 3.46Å; H23-F27 PolarHBondContact O-N 3.25Å; H23-L59 HydrophobicContact CB-CD1 3.83Å; H23-L59 HydrophobicContact CB-CD2 4.3Å; H23-Q299 PolarHBondContact NE2-OE1 3.05Å; H23-G305 PolarHBondContact CE1-N 2.68Å; H23-G305 PolarHBondContact CE1-O 2.9Å; H23-G305 WeakPolarHBondContact ND1-CA 3.2Å; H23-G305 PolarHBondContact ND1-N 2.94Å; H23-F306 AromaticContact CE1-CD2 3.71Å; H23-F306 AromaticContact CE1-CE2 3.21Å; H23-F306 WeakPolarHBondContact CE1-CE2 3.44Å; H23-F306 AromaticContact CE1-CZ 3.49Å; H23-F306 VanDerWaalsContact CE1-CZ 3.49Å; H23-F306 WeakPolarHBondContact CE1-CZ 3.12Å; H23-F306 AromaticContact ND1-CE2 3.71Å; H23-F306 AromaticContact NE2-CE2 3.61Å; H23-F306 AromaticContact NE2-CZ 3.56Å
24V98.8Very high93.6Very high16 Ų1670.5 Ų70.510%0.09734%0.336CS..Hα-helixtrans-55.3-53173173.70000110.2K20 F26 F27 Q28 L56 L59 A61 V64K20-V24 PolarHBondContact O-N 3.16Å; V24-F26 VanDerWaalsContact C-N 3.26Å; V24-F26 PolarHBondContact O-N 2.89Å; V24-F27 PolarHBondContact O-N 3.35Å; V24-Q28 WeakPolarHBondContact O-CG 3.37Å; V24-Q28 PolarHBondContact O-N 3.19Å; V24-L56 HydrophobicContact CB-CD2 4.38Å; V24-L56 HydrophobicContact CG1-CD2 3.92Å; V24-L59 HydrophobicContact CG2-CB 4.18Å; V24-L59 HydrophobicContact CG2-CD1 3.88Å; V24-A61 HydrophobicContact CG1-CB 4.07Å; V24-A61 HydrophobicContact CG2-CB 3.71Å; V24-V64 HydrophobicContact CG1-CG1 4.2Å; V24-V64 HydrophobicContact CG1-CG2 4.35Å
25R98.8Very high95.6Very high119 Ų11966.5 Ų66.545%0.44932%0.323SS..Hα-helixtrans-63.7-30.6178.9-70.1180-76-162-6.3112.9D21 R22 H23 Q28 R29D21-R25 WeakPolarHBondContact O-CG 3.4Å; D21-R25 PolarHBondContact O-N 3.01Å; D21-R25 PolarHBondContact O-NE 3.41Å; R22-R25 PolarHBondContact O-N 3.29Å; H23-R25 PolarHBondContact O-N 2.94Å; R25-Q28 PolarHBondContact O-N 3.27Å; R25-R29 VanDerWaalsContact C-NH2 3.26Å; R25-R29 WeakPolarHBondContact O-CG 3.28Å; R25-R29 PolarHBondContact O-N 3.5Å; R25-R29 PolarHBondContact O-NE 2.92Å; R25-R29 PolarHBondContact O-NH1 2.96Å; R25-R29 VanDerWaalsContact O-NH1 3.17Å; R25-R29 PolarHBondContact O-NH2 2.91Å
26F98.8Very high97.1Very high20 Ų2067 Ų679%0.08833%0.326CS..Hα-helixtrans-64.3-45.5176.3176.3-87.9000111.3R22 H23 V24 R29 T30 G304 P314 A319R22-F26 WeakPolarHBondContact O-CB 3.41Å; R22-F26 PolarHBondContact O-N 3.06Å; H23-F26 WeakPolarHBondContact O-CB 3.33Å; H23-F26 PolarHBondContact O-N 3.47Å; H23-F26 VanDerWaalsContact O-N 3.12Å; V24-F26 VanDerWaalsContact C-N 3.26Å; V24-F26 PolarHBondContact O-N 2.89Å; F26-R29 PolarHBondContact O-N 3.19Å; F26-T30 PolarHBondContact O-N 3.16Å; F26-T30 PolarHBondContact O-OG1 2.62Å; F26-G304 WeakPolarHBondContact CD2-O 3.36Å; F26-P314 HydrophobicContact CE2-CB 4.09Å; F26-P314 HydrophobicContact CE2-CG 4.06Å; F26-P314 HydrophobicContact CZ-CB 4.38Å; F26-A319 HydrophobicContact CD1-CB 3.96Å; F26-A319 HydrophobicContact CE1-CB 3.48Å; F26-A319 VanDerWaalsContact CE1-CB 3.48Å; F26-A319 HydrophobicContact CZ-CB 4.2Å
27F98.8Very high97.7Very high0 Ų073.7 Ų73.70%035%0.348CS..Hα-helixtrans-71.2-34.3176.1-65.5-53.6000113H23 V24 R29 T30 L31 A52 L56 L59 A319 L323H23-F27 VanDerWaalsContact O-CD2 3.26Å; H23-F27 WeakPolarHBondContact O-CD2 3.46Å; H23-F27 PolarHBondContact O-N 3.25Å; V24-F27 PolarHBondContact O-N 3.35Å; F27-R29 VanDerWaalsContact C-N 3.33Å; F27-R29 PolarHBondContact O-N 3.38Å; F27-T30 WeakPolarHBondContact O-CB 3.27Å; F27-T30 PolarHBondContact O-N 3.05Å; F27-T30 VanDerWaalsContact O-N 3.15Å; F27-L31 WeakPolarHBondContact O-CG 3.47Å; F27-L31 PolarHBondContact O-N 2.93Å; F27-A52 HydrophobicContact CB-CB 4.04Å; F27-A52 VanDerWaalsContact CD1-CA 3.49Å; F27-A52 HydrophobicContact CD1-CB 3.93Å; F27-A52 HydrophobicContact CG-CB 4.35Å; F27-L56 HydrophobicContact CB-CD1 4.22Å; F27-L56 HydrophobicContact CB-CD2 3.98Å; F27-L56 HydrophobicContact CB-CG 3.74Å; F27-L56 HydrophobicContact CD2-CG 4.46Å; F27-L56 HydrophobicContact CG-CG 4.49Å; F27-L59 HydrophobicContact CD2-CD1 3.84Å; F27-L59 HydrophobicContact CE2-CD1 3.86Å; F27-A319 HydrophobicContact CE1-CB 3.78Å; F27-A319 HydrophobicContact CZ-CB 3.77Å; F27-L323 HydrophobicContact CE2-CD1 3.43Å; F27-L323 VanDerWaalsContact CE2-CD1 3.43Å; F27-L323 HydrophobicContact CZ-CD1 3.84Å
28Q98.6Very high98Very high57 Ų5771.9 Ų71.927%0.26634%0.335SS..Hα-helixtrans-57.2-45.9170.8-72.1-177.8-66.100111.8V24 R25 T30 L31 Q32 V64V24-Q28 WeakPolarHBondContact O-CG 3.37Å; V24-Q28 PolarHBondContact O-N 3.19Å; R25-Q28 PolarHBondContact O-N 3.27Å; Q28-T30 VanDerWaalsContact C-N 3.33Å; Q28-T30 PolarHBondContact O-N 3.45Å; Q28-L31 PolarHBondContact O-N 3.29Å; Q28-Q32 VanDerWaalsContact O-CG 3.31Å; Q28-Q32 WeakPolarHBondContact O-CG 3.32Å; Q28-Q32 PolarHBondContact O-N 2.97Å; Q28-V64 HydrophobicContact CG-CB 4.35Å; Q28-V64 HydrophobicContact CG-CG2 3.61Å
29R98.4Very high98Very high104 Ų10473.4 Ų73.439%0.39235%0.353SS..Hα-helixtrans-62.3-40.7175.3-74.3179.1-70.1-83.31.5112.1R25 F26 F27 L31 Q32 V303R25-R29 VanDerWaalsContact C-NH2 3.26Å; R25-R29 WeakPolarHBondContact O-CG 3.28Å; R25-R29 PolarHBondContact O-N 3.5Å; R25-R29 PolarHBondContact O-NE 2.92Å; R25-R29 PolarHBondContact O-NH1 2.96Å; R25-R29 VanDerWaalsContact O-NH1 3.17Å; R25-R29 PolarHBondContact O-NH2 2.91Å; F26-R29 PolarHBondContact O-N 3.19Å; F27-R29 VanDerWaalsContact C-N 3.33Å; F27-R29 PolarHBondContact O-N 3.38Å; R29-L31 PolarHBondContact O-N 2.75Å; R29-Q32 PolarHBondContact O-N 3.41Å; R29-Q32 VanDerWaalsContact O-N 3.1Å; R29-V303 PolarHBondContact NH2-O 2.93Å
30T98.3Very high98Very high16 Ų1676.5 Ų76.510%0.09838%0.378CS..Hα-helixtrans-58.8-35.5177.6-59.90000112.2F26 F27 Q28 Q32 I48 A52 P316F26-T30 PolarHBondContact O-N 3.16Å; F26-T30 PolarHBondContact O-OG1 2.62Å; F27-T30 WeakPolarHBondContact O-CB 3.27Å; F27-T30 PolarHBondContact O-N 3.05Å; F27-T30 VanDerWaalsContact O-N 3.15Å; Q28-T30 VanDerWaalsContact C-N 3.33Å; Q28-T30 PolarHBondContact O-N 3.45Å; T30-Q32 VanDerWaalsContact C-N 3.33Å; T30-I48 HydrophobicContact CG2-CG2 3.5Å; T30-A52 HydrophobicContact CG2-CB 3.87Å; T30-P316 HydrophobicContact CG2-CB 4.04Å; T30-P316 HydrophobicContact CG2-CG 3.63Å
31L98.1Very high98Very high32 Ų3276.1 Ų76.117%0.16838%0.378CS..THydrogen-bonded Turntrans-82.6-6.1179-68170.5000114.4F27 Q28 R29 L49 A52 L53 L56 V65 M70F27-L31 WeakPolarHBondContact O-CG 3.47Å; F27-L31 PolarHBondContact O-N 2.93Å; Q28-L31 PolarHBondContact O-N 3.29Å; R29-L31 PolarHBondContact O-N 2.75Å; L31-L49 HydrophobicContact CD2-CB 4.24Å; L31-L49 HydrophobicContact CD2-CD1 4.08Å; L31-L49 HydrophobicContact CD2-CG 3.86Å; L31-A52 HydrophobicContact CD1-CB 4.07Å; L31-A52 HydrophobicContact CD2-CB 3.73Å; L31-A52 HydrophobicContact CG-CB 3.6Å; L31-L53 HydrophobicContact CD1-CD2 3.78Å; L31-L53 HydrophobicContact CD1-CG 4.44Å; L31-L53 HydrophobicContact CD2-CD2 4.43Å; L31-L53 HydrophobicContact CD2-CG 4.35Å; L31-L56 HydrophobicContact CD1-CD1 3.82Å; L31-V65 HydrophobicContact CD1-CG1 3.63Å; L31-M70 HydrophobicContact CB-CE 4.13Å
32Q96.6Very high98Very high143 Ų14373.6 Ų73.667%0.66836%0.363SS*.THydrogen-bonded Turntrans-93.9-93.4179.8-70.9168.1-1.400110.7Q28 R29 T30Q28-Q32 VanDerWaalsContact O-CG 3.31Å; Q28-Q32 WeakPolarHBondContact O-CG 3.32Å; Q28-Q32 PolarHBondContact O-N 2.97Å; R29-Q32 PolarHBondContact O-N 3.41Å; R29-Q32 VanDerWaalsContact O-N 3.1Å; T30-Q32 VanDerWaalsContact C-N 3.33Å
33V96.6Very high98.1Very high125 Ų12572.6 Ų72.676%0.75837%0.367SS*.  trans-132.6132.3-173.9-179.60000108.3
34L96.7Very high98Very high59 Ų5974.6 Ų74.631%0.30938%0.379SS..  trans-103.3138.1175.4-59.7179000109.9Y38 I48L34-Y38 HydrophobicContact CB-CD2 4.13Å; L34-Y38 HydrophobicContact CB-CG 4.47Å; L34-I48 HydrophobicContact CD1-CG2 4.24Å
35P97.4Very high98Very high71 Ų7178.6 Ų78.646%0.46139%0.393SS..  trans-57.7152.7171.4-24.331.1000113R37 Y38P35-R37 HydrophobicContact CB-CG 4.2Å; P35-R37 PolarHBondContact O-N 3.26Å; P35-Y38 HydrophobicContact CB-CD2 4.2Å; P35-Y38 HydrophobicContact CB-CE2 4.37Å; P35-Y38 HydrophobicContact CG-CD2 4.26Å; P35-Y38 HydrophobicContact CG-CE2 4.09Å; P35-Y38 WeakPolarHBondContact O-CB 3.5Å; P35-Y38 WeakPolarHBondContact O-CD2 3.44Å; P35-Y38 PolarHBondContact O-N 3.42Å
36E98Very high98Very high177 Ų17772.9 Ų72.983%0.82737%0.371SS*.G310 helixtrans-53.7-28.3-179.1-177.6-178-144.600113.8Y38 A39E36-Y38 PolarHBondContact O-N 3.39Å; E36-A39 WeakPolarHBondContact O-CB 3.24Å; E36-A39 PolarHBondContact O-N 3.19Å
37R97.5Very high98Very high177 Ų17772.8 Ų72.867%0.66837%0.373SS*.G310 helixtrans-56.1-16.2174.877.3-170.5-177.7-178.20.6114P35P35-R37 HydrophobicContact CB-CG 4.2Å; P35-R37 PolarHBondContact O-N 3.26Å
38Y97.8Very high98Very high60 Ų6073.4 Ų73.424%0.23538%0.376CS..G310 helixtrans-96.111.4175.1-61.3-75.2000113.5L34 P35 E36 S40 L41L34-Y38 HydrophobicContact CB-CD2 4.13Å; L34-Y38 HydrophobicContact CB-CG 4.47Å; P35-Y38 HydrophobicContact CB-CD2 4.2Å; P35-Y38 HydrophobicContact CB-CE2 4.37Å; P35-Y38 HydrophobicContact CG-CD2 4.26Å; P35-Y38 HydrophobicContact CG-CE2 4.09Å; P35-Y38 WeakPolarHBondContact O-CB 3.5Å; P35-Y38 WeakPolarHBondContact O-CD2 3.44Å; P35-Y38 PolarHBondContact O-N 3.42Å; E36-Y38 PolarHBondContact O-N 3.39Å; Y38-S40 PolarHBondContact O-N 3.28Å; Y38-S40 VanDerWaalsContact O-N 3.12Å; Y38-L41 HydrophobicContact CD1-CD1 3.82Å; Y38-L41 HydrophobicContact CG-CD1 4.44Å; Y38-L41 VanDerWaalsContact O-CB 3.31Å; Y38-L41 WeakPolarHBondContact O-CB 3.5Å; Y38-L41 PolarHBondContact O-N 3.17Å
39A97.8Very high98.1Very high64 Ų6471.4 Ų71.453%0.52937%0.367SS..G310 helixtrans-56.9-28.118000000113.3E36 L41 E42E36-A39 WeakPolarHBondContact O-CB 3.24Å; E36-A39 PolarHBondContact O-N 3.19Å; A39-L41 PolarHBondContact O-N 2.81Å; A39-L41 VanDerWaalsContact O-N 3.13Å; A39-E42 VanDerWaalsContact O-CB 3.3Å; A39-E42 WeakPolarHBondContact O-CB 3.36Å; A39-E42 PolarHBondContact O-N 3.27Å; A39-E42 VanDerWaalsContact O-N 3.08Å
40S98.3Very high98.1Very high102 Ų10266.6 Ų66.671%0.71335%0.349SS*.G310 helixtrans-64.6-12.8173.863.60000114Y38Y38-S40 PolarHBondContact O-N 3.28Å; Y38-S40 VanDerWaalsContact O-N 3.12Å
41L98.1Very high98.1Very high47 Ų4767.2 Ų67.225%0.24635%0.35CS..G310 helixtrans-94.72176.5-54.6179.3000112.6Y38 A39 T43 T44 R45 I48Y38-L41 HydrophobicContact CD1-CD1 3.82Å; Y38-L41 HydrophobicContact CG-CD1 4.44Å; Y38-L41 VanDerWaalsContact O-CB 3.31Å; Y38-L41 WeakPolarHBondContact O-CB 3.5Å; Y38-L41 PolarHBondContact O-N 3.17Å; A39-L41 PolarHBondContact O-N 2.81Å; A39-L41 VanDerWaalsContact O-N 3.13Å; L41-T43 VanDerWaalsContact C-N 3.33Å; L41-T43 PolarHBondContact O-N 2.77Å; L41-T44 CarbonylContact O-C 3.57Å; L41-T44 PolarHBondContact O-N 2.73Å; L41-T44 PolarHBondContact O-OG1 3.47Å; L41-R45 WeakPolarHBondContact O-CG 3.35Å; L41-R45 PolarHBondContact O-N 3.2Å; L41-I48 HydrophobicContact CB-CG1 4.41Å; L41-I48 HydrophobicContact CD1-CD1 3.94Å; L41-I48 HydrophobicContact CD1-CG1 4.25Å
42E98.6Very high98.1Very high64 Ų6465.7 Ų65.730%0.29934%0.342SS..G310 helixtrans-54.5-47.7-17517855-14100111.8A39 T44 R45 S96 H98A39-E42 VanDerWaalsContact O-CB 3.3Å; A39-E42 WeakPolarHBondContact O-CB 3.36Å; A39-E42 PolarHBondContact O-N 3.27Å; A39-E42 VanDerWaalsContact O-N 3.08Å; E42-T44 PolarHBondContact O-N 3.47Å; E42-T44 VanDerWaalsContact O-N 3.17Å; E42-R45 WeakPolarHBondContact O-CG 3.36Å; E42-R45 PolarHBondContact O-N 2.99Å; E42-R45 IonicContact OE1-NH1 3.02Å; E42-R45 PolarHBondContact OE1-NH1 3.17Å; E42-R45 WeakPolarHBondContact OE2-CD 3.49Å; E42-R45 IonicContact OE2-NE 3.81Å; E42-R45 IonicContact OE2-NH1 3.36Å; E42-R45 PolarHBondContact OE2-NH1 2.64Å; E42-S96 WeakPolarHBondContact O-CB 3.42Å; E42-S96 PolarHBondContact O-OG 3.4Å; E42-S96 WeakPolarHBondContact OE1-CB 3.33Å; E42-S96 PolarHBondContact OE1-OG 3.14Å; E42-H98 HydrophobicContact CG-CB 3.84Å
43T98.5Very high98.3Very high72 Ų7258.9 Ų58.944%0.44231%0.311SS..G310 helixtrans-75.4-0.1-179.659.80000114.1L41 G95L41-T43 VanDerWaalsContact C-N 3.33Å; L41-T43 PolarHBondContact O-N 2.77Å; T43-G95 WeakPolarHBondContact O-CA 3.46Å
44T98.5Very high98.4Very high41 Ų4152.9 Ų52.925%0.25227%0.274SS..G310 helixtrans-129.117.4179.961.40000113L41 E42 L46 S47 I48 M121L41-T44 CarbonylContact O-C 3.57Å; L41-T44 PolarHBondContact O-N 2.73Å; L41-T44 PolarHBondContact O-OG1 3.47Å; E42-T44 PolarHBondContact O-N 3.47Å; E42-T44 VanDerWaalsContact O-N 3.17Å; T44-L46 PolarHBondContact O-N 3.41Å; T44-L46 VanDerWaalsContact O-N 3.15Å; T44-S47 WeakPolarHBondContact O-CB 3.43Å; T44-S47 PolarHBondContact O-N 2.89Å; T44-I48 PolarHBondContact O-N 2.93Å; T44-M121 HydrophobicContact CG2-CE 3.72Å
45R98.7Very high98.5Very high100 Ų10050.1 Ų50.138%0.37726%0.26SS..Hα-helixtrans-55.7-32.6-179.8-77.1171.860.2-173.53.5113.6L41 E42 S47 I48 L49 W73 G95L41-R45 WeakPolarHBondContact O-CG 3.35Å; L41-R45 PolarHBondContact O-N 3.2Å; E42-R45 WeakPolarHBondContact O-CG 3.36Å; E42-R45 PolarHBondContact O-N 2.99Å; E42-R45 IonicContact OE1-NH1 3.02Å; E42-R45 PolarHBondContact OE1-NH1 3.17Å; E42-R45 WeakPolarHBondContact OE2-CD 3.49Å; E42-R45 IonicContact OE2-NE 3.81Å; E42-R45 IonicContact OE2-NH1 3.36Å; E42-R45 PolarHBondContact OE2-NH1 2.64Å; R45-S47 VanDerWaalsContact C-N 3.3Å; R45-S47 PolarHBondContact O-N 3.18Å; R45-I48 WeakPolarHBondContact O-CB 3.27Å; R45-I48 PolarHBondContact O-N 3.23Å; R45-I48 VanDerWaalsContact O-N 3.13Å; R45-L49 PolarHBondContact O-N 3.24Å; R45-W73 HydrophobicContact CB-CH2 4.44Å; R45-G95 WeakPolarHBondContact CB-O 3.35Å; R45-G95 PolarHBondContact N-O 3.26Å
46L98.9Very high98.5Very high0 Ų046.7 Ų46.70%024%0.238CC..Hα-helixtrans-62.7-34.8174.8-174.354.9000112.5T44 L49 F50 W73 I74 F93 R94 G95 M121T44-L46 PolarHBondContact O-N 3.41Å; T44-L46 VanDerWaalsContact O-N 3.15Å; L46-L49 HydrophobicContact CD1-CD2 4.14Å; L46-L49 PolarHBondContact O-N 3.04Å; L46-F50 WeakPolarHBondContact O-CB 3.42Å; L46-F50 PolarHBondContact O-N 3.17Å; L46-W73 HydrophobicContact CB-CH2 4.39Å; L46-W73 HydrophobicContact CB-CZ3 4.48Å; L46-W73 HydrophobicContact CD1-CH2 4.38Å; L46-W73 HydrophobicContact CD1-CZ3 3.66Å; L46-I74 HydrophobicContact CD1-CG1 4.1Å; L46-I74 HydrophobicContact CD1-CG2 4.24Å; L46-F93 HydrophobicContact CD2-CB 3.91Å; L46-F93 HydrophobicContact CD2-CD1 4.39Å; L46-R94 WeakPolarHBondContact CD2-O 3.44Å; L46-G95 PolarHBondContact N-O 2.72Å; L46-M121 HydrophobicContact CB-SD 4.08Å; L46-M121 HydrophobicContact CD2-CB 4.11Å; L46-M121 WeakPolarHBondContact CD2-O 3.38Å
47S98.8Very high98.6Very high17 Ų1738.3 Ų38.312%0.11920%0.198CC..Hα-helixtrans-70.4-35171.7-60.10000112.5T44 R45 F50 F51 M121 T124T44-S47 WeakPolarHBondContact O-CB 3.43Å; T44-S47 PolarHBondContact O-N 2.89Å; R45-S47 VanDerWaalsContact C-N 3.3Å; R45-S47 PolarHBondContact O-N 3.18Å; S47-F50 WeakPolarHBondContact O-CB 3.49Å; S47-F50 PolarHBondContact O-N 3.49Å; S47-F51 VanDerWaalsContact O-CD2 3.26Å; S47-F51 WeakPolarHBondContact O-CD2 3.37Å; S47-F51 WeakPolarHBondContact O-CG 3.13Å; S47-F51 PolarHBondContact O-N 2.69Å; S47-M121 VanDerWaalsContact OG-CE 3.24Å; S47-M121 WeakPolarHBondContact OG-CE 3.29Å; S47-T124 PolarHBondContact OG-OG1 3.4Å
48I98.8Very high98.6Very high14 Ų1429.9 Ų29.97%0.07217%0.167CC..Hα-helixtrans-66-41.7174.1-55.7-54.9000111.1T30 L34 L41 T44 R45 F50 F51 A52 P316T30-I48 HydrophobicContact CG2-CG2 3.5Å; L34-I48 HydrophobicContact CD1-CG2 4.24Å; L41-I48 HydrophobicContact CB-CG1 4.41Å; L41-I48 HydrophobicContact CD1-CD1 3.94Å; L41-I48 HydrophobicContact CD1-CG1 4.25Å; T44-I48 PolarHBondContact O-N 2.93Å; R45-I48 WeakPolarHBondContact O-CB 3.27Å; R45-I48 PolarHBondContact O-N 3.23Å; R45-I48 VanDerWaalsContact O-N 3.13Å; I48-F50 VanDerWaalsContact C-N 3.35Å; I48-F51 HydrophobicContact CD1-CD2 4.22Å; I48-F51 HydrophobicContact CD1-CE2 4.48Å; I48-F51 PolarHBondContact O-N 3.11Å; I48-A52 PolarHBondContact O-N 2.76Å; I48-A52 VanDerWaalsContact O-N 3.11Å; I48-P316 HydrophobicContact CG2-CB 4.24Å; I48-P316 HydrophobicContact CG2-CG 4.04Å
49L98.8Very high98.7Very high15 Ų1527 Ų278%0.07916%0.155CC..Hα-helixtrans-61-44.2172.1176.4140.1000111.1L31 R45 L46 F51 A52 L53 M70 W73 I74L31-L49 HydrophobicContact CD2-CB 4.24Å; L31-L49 HydrophobicContact CD2-CD1 4.08Å; L31-L49 HydrophobicContact CD2-CG 3.86Å; R45-L49 PolarHBondContact O-N 3.24Å; L46-L49 HydrophobicContact CD1-CD2 4.14Å; L46-L49 PolarHBondContact O-N 3.04Å; L49-F51 PolarHBondContact O-N 2.89Å; L49-A52 PolarHBondContact O-N 3.48Å; L49-L53 HydrophobicContact CD2-CD1 3.4Å; L49-L53 HydrophobicContact CD2-CG 4.14Å; L49-L53 HydrophobicContact CG-CD1 3.89Å; L49-L53 HydrophobicContact CG-CG 4.18Å; L49-L53 WeakPolarHBondContact O-CB 3.49Å; L49-L53 WeakPolarHBondContact O-CG 3.21Å; L49-L53 PolarHBondContact O-N 2.99Å; L49-M70 HydrophobicContact CD1-SD 3.97Å; L49-W73 HydrophobicContact CB-CZ3 4.25Å; L49-W73 HydrophobicContact CD1-CE3 3.62Å; L49-W73 HydrophobicContact CD1-CZ3 3.62Å; L49-W73 HydrophobicContact CD2-CZ3 4.46Å; L49-W73 HydrophobicContact CG-CZ3 4.33Å; L49-I74 HydrophobicContact CD2-CD1 3.96Å; L49-I74 HydrophobicContact CD2-CG1 3.98Å
50F98.9Very high98.7Very high2 Ų227.7 Ų27.71%0.00915%0.15CC..Hα-helixtrans-57.2-48.7174.7161.8-101.1000112.2L46 S47 I48 A52 L53 S54 T124 C127 S128 I131 Y320 N342 I343L46-F50 WeakPolarHBondContact O-CB 3.42Å; L46-F50 PolarHBondContact O-N 3.17Å; S47-F50 WeakPolarHBondContact O-CB 3.49Å; S47-F50 PolarHBondContact O-N 3.49Å; I48-F50 VanDerWaalsContact C-N 3.35Å; F50-A52 VanDerWaalsContact C-N 3.26Å; F50-A52 PolarHBondContact O-N 3.47Å; F50-L53 PolarHBondContact O-N 2.81Å; F50-S54 WeakPolarHBondContact O-CB 3.4Å; F50-S54 PolarHBondContact O-N 3.11Å; F50-T124 HydrophobicContact CB-CG2 3.95Å; F50-T124 HydrophobicContact CD1-CG2 3.73Å; F50-T124 HydrophobicContact CD2-CG2 4.48Å; F50-T124 HydrophobicContact CE1-CG2 4.37Å; F50-T124 HydrophobicContact CG-CG2 3.78Å; F50-C127 HydrophobicContact CD2-CB 3.82Å; F50-C127 HydrophobicContact CE2-CB 3.69Å; F50-S128 WeakPolarHBondContact CA-OG 3.4Å; F50-S128 WeakPolarHBondContact CB-OG 3.29Å; F50-I131 HydrophobicContact CD2-CD1 4.18Å; F50-I131 HydrophobicContact CE2-CD1 4.12Å; F50-Y320 HydrophobicContact CE1-CD1 4.48Å; F50-Y320 AromaticContact CE1-CE1 3.93Å; F50-Y320 HydrophobicContact CE1-CE1 3.93Å; F50-Y320 HydrophobicContact CZ-CE1 4.04Å; F50-N342 WeakPolarHBondContact CZ-O 3.47Å; F50-I343 HydrophobicContact CE2-CG2 4.2Å
51F98.9Very high98.8Very high29 Ų2923.1 Ų23.113%0.12712%0.118CC..Hα-helixtrans-58.8-39.6178.1-66.1-38.6000112.2S47 I48 L49 G55 P316 L317 Y320S47-F51 VanDerWaalsContact O-CD2 3.26Å; S47-F51 WeakPolarHBondContact O-CD2 3.37Å; S47-F51 WeakPolarHBondContact O-CG 3.13Å; S47-F51 PolarHBondContact O-N 2.69Å; I48-F51 HydrophobicContact CD1-CD2 4.22Å; I48-F51 HydrophobicContact CD1-CE2 4.48Å; I48-F51 PolarHBondContact O-N 3.11Å; L49-F51 PolarHBondContact O-N 2.89Å; F51-G55 WeakPolarHBondContact O-CA 3.43Å; F51-G55 PolarHBondContact O-N 3.36Å; F51-P316 HydrophobicContact CB-CB 4.13Å; F51-P316 HydrophobicContact CD2-CB 4.31Å; F51-L317 HydrophobicContact CD2-CB 4.15Å; F51-L317 HydrophobicContact CE2-CB 3.76Å; F51-L317 HydrophobicContact CE2-CD1 4.13Å; F51-L317 HydrophobicContact CE2-CG 4.14Å; F51-L317 HydrophobicContact CZ-CB 4.11Å; F51-L317 HydrophobicContact CZ-CD1 3.96Å; F51-L317 HydrophobicContact CZ-CG 3.99Å; F51-Y320 HydrophobicContact CB-CG 4.39Å; F51-Y320 AromaticContact CD1-CD1 3.46Å; F51-Y320 HydrophobicContact CD1-CD1 3.46Å; F51-Y320 VanDerWaalsContact CD1-CD1 3.46Å; F51-Y320 HydrophobicContact CD1-CE1 4.21Å; F51-Y320 HydrophobicContact CD1-CG 4.04Å; F51-Y320 HydrophobicContact CE1-CD1 4.05Å; F51-Y320 HydrophobicContact CG-CD1 4.44Å
52A98.9Very high98.8Very high0 Ų022 Ų220%011%0.112CC..Hα-helixtrans-73.1-45.7179.400000113.3F27 T30 L31 I48 L49 F50 G55 L56F27-A52 HydrophobicContact CB-CB 4.04Å; F27-A52 VanDerWaalsContact CD1-CA 3.49Å; F27-A52 HydrophobicContact CD1-CB 3.93Å; F27-A52 HydrophobicContact CG-CB 4.35Å; T30-A52 HydrophobicContact CG2-CB 3.87Å; L31-A52 HydrophobicContact CD1-CB 4.07Å; L31-A52 HydrophobicContact CD2-CB 3.73Å; L31-A52 HydrophobicContact CG-CB 3.6Å; I48-A52 PolarHBondContact O-N 2.76Å; I48-A52 VanDerWaalsContact O-N 3.11Å; L49-A52 PolarHBondContact O-N 3.48Å; F50-A52 VanDerWaalsContact C-N 3.26Å; F50-A52 PolarHBondContact O-N 3.47Å; A52-G55 PolarHBondContact O-N 2.7Å; A52-L56 VanDerWaalsContact O-CG 3.31Å; A52-L56 WeakPolarHBondContact O-CG 3.48Å; A52-L56 PolarHBondContact O-N 2.68Å
53L98.9Very high98.7Very high0 Ų025.7 Ų25.70%013%0.13CC..Hα-helixtrans-66.7-45.5177.8-70.2-177.5000112L31 L49 F50 G55 L56 D57 L62 V65 I131 L132L31-L53 HydrophobicContact CD1-CD2 3.78Å; L31-L53 HydrophobicContact CD1-CG 4.44Å; L31-L53 HydrophobicContact CD2-CD2 4.43Å; L31-L53 HydrophobicContact CD2-CG 4.35Å; L49-L53 HydrophobicContact CD2-CD1 3.4Å; L49-L53 HydrophobicContact CD2-CG 4.14Å; L49-L53 HydrophobicContact CG-CD1 3.89Å; L49-L53 HydrophobicContact CG-CG 4.18Å; L49-L53 WeakPolarHBondContact O-CB 3.49Å; L49-L53 WeakPolarHBondContact O-CG 3.21Å; L49-L53 PolarHBondContact O-N 2.99Å; F50-L53 PolarHBondContact O-N 2.81Å; L53-G55 VanDerWaalsContact C-N 3.3Å; L53-G55 PolarHBondContact O-N 3.37Å; L53-L56 PolarHBondContact O-N 3.21Å; L53-D57 WeakPolarHBondContact O-CB 3.48Å; L53-D57 PolarHBondContact O-N 3Å; L53-L62 HydrophobicContact CD2-CD2 4.44Å; L53-L62 WeakPolarHBondContact O-CD2 3.4Å; L53-V65 HydrophobicContact CD2-CG2 4.02Å; L53-I131 HydrophobicContact CB-CG2 4.31Å; L53-L132 HydrophobicContact CD1-CD1 3.73Å; L53-L132 HydrophobicContact CD1-CD2 4.01Å; L53-L132 HydrophobicContact CD1-CG 3.92Å; L53-L132 HydrophobicContact CD2-CD2 4.02Å
54S98.9Very high98.7Very high0 Ų024.7 Ų24.70%012%0.124CC..Hα-helixtrans-66.4-35.8177.3-1610000111.1F50 D57 V58 Y320F50-S54 WeakPolarHBondContact O-CB 3.4Å; F50-S54 PolarHBondContact O-N 3.11Å; S54-D57 WeakPolarHBondContact O-CB 3.35Å; S54-D57 PolarHBondContact O-N 2.72Å; S54-V58 VanDerWaalsContact O-CG2 3.31Å; S54-V58 WeakPolarHBondContact O-CG2 3.29Å; S54-V58 PolarHBondContact O-N 3.05Å; S54-Y320 WeakPolarHBondContact OG-CE2 3.28Å; S54-Y320 VanDerWaalsContact OG-CZ 3.23Å; S54-Y320 PolarHBondContact OG-OH 3.32Å
55G98.9Very high98.6Very high0 Ų023.8 Ų23.80%012%0.118CC..Hα-helixtrans-61.7-46.2171.700000113.1F51 A52 L53 D57 V58 L59F51-G55 WeakPolarHBondContact O-CA 3.43Å; F51-G55 PolarHBondContact O-N 3.36Å; A52-G55 PolarHBondContact O-N 2.7Å; L53-G55 VanDerWaalsContact C-N 3.3Å; L53-G55 PolarHBondContact O-N 3.37Å; G55-D57 VanDerWaalsContact C-N 3.3Å; G55-D57 PolarHBondContact O-N 3.19Å; G55-V58 PolarHBondContact O-N 3.07Å; G55-L59 WeakPolarHBondContact O-CD1 3.33Å; G55-L59 WeakPolarHBondContact O-CG 3.28Å; G55-L59 PolarHBondContact O-N 3.18Å
56L98.9Very high98.6Very high0 Ų023.4 Ų23.40%012%0.123CC..Hα-helixtrans-62.4-37.2173.3-72.1170.2000112.1V24 F27 L31 A52 L53 L59 D60 A61 L62 V64 V65V24-L56 HydrophobicContact CB-CD2 4.38Å; V24-L56 HydrophobicContact CG1-CD2 3.92Å; F27-L56 HydrophobicContact CB-CD1 4.22Å; F27-L56 HydrophobicContact CB-CD2 3.98Å; F27-L56 HydrophobicContact CB-CG 3.74Å; F27-L56 HydrophobicContact CD2-CG 4.46Å; F27-L56 HydrophobicContact CG-CG 4.49Å; L31-L56 HydrophobicContact CD1-CD1 3.82Å; A52-L56 VanDerWaalsContact O-CG 3.31Å; A52-L56 WeakPolarHBondContact O-CG 3.48Å; A52-L56 PolarHBondContact O-N 2.68Å; L53-L56 PolarHBondContact O-N 3.21Å; L56-L59 CarbonylContact O-C 3.6Å; L56-L59 PolarHBondContact O-N 2.88Å; L56-D60 PolarHBondContact O-N 2.95Å; L56-D60 VanDerWaalsContact O-N 3.13Å; L56-A61 HydrophobicContact CD2-CB 4.18Å; L56-A61 PolarHBondContact O-N 3.09Å; L56-L62 HydrophobicContact CB-CD2 4.04Å; L56-V64 HydrophobicContact CD1-CG2 4.04Å; L56-V64 HydrophobicContact CD2-CG2 3.89Å; L56-V65 HydrophobicContact CD1-CG1 3.67Å
57D98.9Very high98.5Very high0 Ų025.3 Ų25.30%014%0.137CC..Hα-helixtrans-65.2-45.1175.2-169.523.1000111.9L53 S54 G55 L59 D60 L62 I131 R335 T344 R346L53-D57 WeakPolarHBondContact O-CB 3.48Å; L53-D57 PolarHBondContact O-N 3Å; S54-D57 WeakPolarHBondContact O-CB 3.35Å; S54-D57 PolarHBondContact O-N 2.72Å; G55-D57 VanDerWaalsContact C-N 3.3Å; G55-D57 PolarHBondContact O-N 3.19Å; D57-L59 PolarHBondContact O-N 3.12Å; D57-D60 PolarHBondContact O-N 2.68Å; D57-L62 HydrophobicContact CB-CD1 3.83Å; D57-L62 HydrophobicContact CB-CD2 4.3Å; D57-L62 HydrophobicContact CB-CG 4.01Å; D57-I131 HydrophobicContact CB-CG2 3.84Å; D57-R335 WeakPolarHBondContact O-CD 3.28Å; D57-R335 IonicContact OD1-CZ 2.66Å; D57-R335 IonicContact OD1-NH1 3.28Å; D57-R335 PolarHBondContact OD1-NH1 3.5Å; D57-T344 HydrophobicContact CB-CG2 3.89Å; D57-T344 VanDerWaalsContact CG-OG1 3.31Å; D57-T344 WeakPolarHBondContact OD2-CB 3.38Å; D57-T344 VanDerWaalsContact OD2-CG2 3.22Å; D57-T344 WeakPolarHBondContact OD2-CG2 3.36Å; D57-T344 PolarHBondContact OD2-OG1 3.37Å; D57-R346 IonicContact OD1-CZ 2.65Å; D57-R346 IonicContact OD1-NE 3.56Å; D57-R346 PolarHBondContact OD1-NE 3.02Å; D57-R346 IonicContact OD1-NH2 3.3Å; D57-R346 PolarHBondContact OD1-NH2 3.31Å; D57-R346 IonicContact OD2-CZ 2.63Å; D57-R346 IonicContact OD2-NE 3.05Å; D57-R346 IonicContact OD2-NH2 3.4Å; D57-R346 PolarHBondContact OD2-NH2 3.43Å
58V98.9Very high98.4Very high0 Ų032.4 Ų32.40%017%0.166CC..Hα-helixtrans-58.7-37.2173.7171.90000111S54 G55 D60 Y320 L323 L334 R335 V337 T344S54-V58 VanDerWaalsContact O-CG2 3.31Å; S54-V58 WeakPolarHBondContact O-CG2 3.29Å; S54-V58 PolarHBondContact O-N 3.05Å; G55-V58 PolarHBondContact O-N 3.07Å; V58-D60 PolarHBondContact O-N 2.94Å; V58-Y320 HydrophobicContact CG2-CE2 4.24Å; V58-L323 HydrophobicContact CG1-CB 4.06Å; V58-L334 HydrophobicContact CG1-CB 4.24Å; V58-L334 HydrophobicContact CG1-CD1 4.42Å; V58-L334 HydrophobicContact CG1-CD2 4.3Å; V58-L334 CarbonylContact O-C 3.53Å; V58-L334 WeakPolarHBondContact O-CA 3.22Å; V58-R335 PolarHBondContact O-N 3.08Å; V58-V337 HydrophobicContact CG2-CG1 3.73Å; V58-T344 HydrophobicContact CB-CG2 4.42Å; V58-T344 HydrophobicContact CG2-CG2 3.74Å
59L98.8Very high98.4Very high0 Ų035.9 Ų35.90%019%0.187CC..THydrogen-bonded Turntrans-78.5-2.6177.3-65.5164000113.8F18 K20 H23 V24 F27 G55 L56 D57 A61 L323 L334F18-L59 HydrophobicContact CE1-CD2 4.25Å; F18-L59 HydrophobicContact CZ-CD2 3.74Å; K20-L59 WeakPolarHBondContact CE-O 3.46Å; K20-L59 HydrophobicContact CG-CD2 4.06Å; K20-L59 PolarHBondContact NZ-O 3Å; H23-L59 HydrophobicContact CB-CD1 3.83Å; H23-L59 HydrophobicContact CB-CD2 4.3Å; V24-L59 HydrophobicContact CG2-CB 4.18Å; V24-L59 HydrophobicContact CG2-CD1 3.88Å; F27-L59 HydrophobicContact CD2-CD1 3.84Å; F27-L59 HydrophobicContact CE2-CD1 3.86Å; G55-L59 WeakPolarHBondContact O-CD1 3.33Å; G55-L59 WeakPolarHBondContact O-CG 3.28Å; G55-L59 PolarHBondContact O-N 3.18Å; L56-L59 CarbonylContact O-C 3.6Å; L56-L59 PolarHBondContact O-N 2.88Å; D57-L59 PolarHBondContact O-N 3.12Å; L59-A61 HydrophobicContact CB-CB 4.22Å; L59-L323 HydrophobicContact CD1-CD1 3.92Å; L59-L323 HydrophobicContact CD2-CD1 4.08Å; L59-L323 HydrophobicContact CD2-CD2 3.93Å; L59-L323 HydrophobicContact CG-CD1 3.91Å; L59-L334 HydrophobicContact CD2-CD2 3.74Å
60D98.6Very high98.4Very high79 Ų7936.8 Ų36.842%0.42219%0.191SC..THydrogen-bonded Turntrans54.150.2-171.8-165.813.2000112.5L56 D57 V58 R335L56-D60 PolarHBondContact O-N 2.95Å; L56-D60 VanDerWaalsContact O-N 3.13Å; D57-D60 PolarHBondContact O-N 2.68Å; V58-D60 PolarHBondContact O-N 2.94Å; D60-R335 HydrophobicContact CB-CG 4.24Å; D60-R335 IonicContact OD1-CZ 3.63Å; D60-R335 IonicContact OD1-NE 3.37Å; D60-R335 PolarHBondContact OD1-NE 3.46Å; D60-R335 IonicContact OD1-NH1 3.71Å; D60-R335 IonicContact OD1-NH2 3.47Å; D60-R335 PolarHBondContact OD1-NH2 3.39Å; D60-R335 IonicContact OD2-NE 2.79Å; D60-R335 IonicContact OD2-NH2 3.86Å
61A98.6Very high98.4Very high5 Ų537.6 Ų37.64%0.04120%0.196CC..  trans-138.329.4-172.400000113V24 L56 L59 E63 V64V24-A61 HydrophobicContact CG1-CB 4.07Å; V24-A61 HydrophobicContact CG2-CB 3.71Å; L56-A61 HydrophobicContact CD2-CB 4.18Å; L56-A61 PolarHBondContact O-N 3.09Å; L59-A61 HydrophobicContact CB-CB 4.22Å; A61-E63 WeakPolarHBondContact CA-OE2 3.41Å; A61-E63 PolarHBondContact O-N 3.03Å; A61-V64 WeakPolarHBondContact O-CG2 3.39Å; A61-V64 PolarHBondContact O-N 3.14Å
62L98.3Very high98.4Very high23 Ų2339.2 Ų39.212%0.1220%0.204CC..G310 helixtrans-69-19.5179.9-79.8174.3000113.2L53 L56 D57 V64 V65 I131L53-L62 HydrophobicContact CD2-CD2 4.44Å; L53-L62 WeakPolarHBondContact O-CD2 3.4Å; L56-L62 HydrophobicContact CB-CD2 4.04Å; D57-L62 HydrophobicContact CB-CD1 3.83Å; D57-L62 HydrophobicContact CB-CD2 4.3Å; D57-L62 HydrophobicContact CB-CG 4.01Å; L62-V64 PolarHBondContact O-N 3.19Å; L62-V64 VanDerWaalsContact O-N 3.1Å; L62-V65 WeakPolarHBondContact O-CG2 3.36Å; L62-V65 PolarHBondContact O-N 3.06Å; L62-I131 HydrophobicContact CD1-CG2 3.88Å; L62-I131 HydrophobicContact CD2-CG2 4.05Å
63E97.7Very high98.4Very high142 Ų14241.8 Ų41.866%0.66421%0.213SC*.G310 helixtrans-63.3-14.3177.970.9-73.6171.300113.7A61 V65A61-E63 WeakPolarHBondContact CA-OE2 3.41Å; A61-E63 PolarHBondContact O-N 3.03Å; E63-V65 VanDerWaalsContact C-N 3.26Å; E63-V65 PolarHBondContact O-N 3.03Å
64V98.1Very high98.3Very high52 Ų5241.8 Ų41.832%0.31521%0.213SC..G310 helixtrans-80.7-3.6178.6-48.10000113.7V24 Q28 L56 A61 L62V24-V64 HydrophobicContact CG1-CG1 4.2Å; V24-V64 HydrophobicContact CG1-CG2 4.35Å; Q28-V64 HydrophobicContact CG-CB 4.35Å; Q28-V64 HydrophobicContact CG-CG2 3.61Å; L56-V64 HydrophobicContact CD1-CG2 4.04Å; L56-V64 HydrophobicContact CD2-CG2 3.89Å; A61-V64 WeakPolarHBondContact O-CG2 3.39Å; A61-V64 PolarHBondContact O-N 3.14Å; L62-V64 PolarHBondContact O-N 3.19Å; L62-V64 VanDerWaalsContact O-N 3.1Å
65V97.1Very high98.3Very high22 Ų2241.9 Ų41.913%0.13321%0.214CC..SBendtrans-119.8150.5177.9-59.50000111.4L31 L53 L56 L62 E63 S67L31-V65 HydrophobicContact CD1-CG1 3.63Å; L53-V65 HydrophobicContact CD2-CG2 4.02Å; L56-V65 HydrophobicContact CD1-CG1 3.67Å; L62-V65 WeakPolarHBondContact O-CG2 3.36Å; L62-V65 PolarHBondContact O-N 3.06Å; E63-V65 VanDerWaalsContact C-N 3.26Å; E63-V65 PolarHBondContact O-N 3.03Å; V65-S67 PolarHBondContact O-N 3.36Å
66D97.6Very high98.3Very high91 Ų9142.3 Ų42.349%0.48722%0.217SC..  trans-81.496.7170-172.3-28.9000109.7K68 V69 M70D66-K68 PolarHBondContact O-N 3.42Å; D66-K68 WeakPolarHBondContact OD1-CB 3.08Å; D66-K68 PolarHBondContact OD1-N 3.17Å; D66-V69 HydrophobicContact CB-CB 4.16Å; D66-V69 HydrophobicContact CB-CG2 4.09Å; D66-V69 PolarHBondContact O-N 3.07Å; D66-V69 PolarHBondContact OD1-N 3.06Å; D66-V69 WeakPolarHBondContact OD2-CG2 3.45Å; D66-M70 WeakPolarHBondContact O-CG 3.24Å; D66-M70 PolarHBondContact O-N 3.22Å; D66-M70 VanDerWaalsContact O-N 3.11Å
67S97.1Very high98.3Very high41 Ų4142.5 Ų42.529%0.28722%0.218SC..Hα-helixtrans-56.7-33.4-179.8-57.50000113V65 M70 I71V65-S67 PolarHBondContact O-N 3.36Å; S67-M70 PolarHBondContact O-N 3.22Å; S67-I71 VanDerWaalsContact O-CB 3.26Å; S67-I71 WeakPolarHBondContact O-CB 3.46Å; S67-I71 WeakPolarHBondContact O-CD1 3.49Å; S67-I71 WeakPolarHBondContact O-CG1 3.19Å; S67-I71 PolarHBondContact O-N 2.73Å
68K97.7Very high98.3Very high166 Ų16642.8 Ų42.872%0.72222%0.219SC*.Hα-helixtrans-68.3-45.1-178.5-65.2178.7-179.61750110.7D66 M70 I71 E72D66-K68 PolarHBondContact O-N 3.42Å; D66-K68 WeakPolarHBondContact OD1-CB 3.08Å; D66-K68 PolarHBondContact OD1-N 3.17Å; K68-M70 VanDerWaalsContact C-N 3.33Å; K68-M70 PolarHBondContact O-N 3.2Å; K68-I71 PolarHBondContact O-N 2.66Å; K68-E72 WeakPolarHBondContact O-CG 3.18Å; K68-E72 PolarHBondContact O-N 3.3Å
69V98Very high98.3Very high87 Ų8742.9 Ų42.953%0.52722%0.219SC..Hα-helixtrans-62-43.81771740000110.8D66 E72 W73D66-V69 HydrophobicContact CB-CB 4.16Å; D66-V69 HydrophobicContact CB-CG2 4.09Å; D66-V69 PolarHBondContact O-N 3.07Å; D66-V69 PolarHBondContact OD1-N 3.06Å; D66-V69 WeakPolarHBondContact OD2-CG2 3.45Å; V69-E72 PolarHBondContact O-N 3.45Å; V69-W73 PolarHBondContact O-N 3.48Å
70M98.4Very high98.2Very high33 Ų3344 Ų4416%0.16323%0.225CC..Hα-helixtrans-65.7-43.1179.2-64.4-60174.400112L31 L49 D66 S67 K68 W73 I74 L132L31-M70 HydrophobicContact CB-CE 4.13Å; L49-M70 HydrophobicContact CD1-SD 3.97Å; D66-M70 WeakPolarHBondContact O-CG 3.24Å; D66-M70 PolarHBondContact O-N 3.22Å; D66-M70 VanDerWaalsContact O-N 3.11Å; S67-M70 PolarHBondContact O-N 3.22Å; K68-M70 VanDerWaalsContact C-N 3.33Å; K68-M70 PolarHBondContact O-N 3.2Å; M70-W73 PolarHBondContact O-N 3.28Å; M70-I74 WeakPolarHBondContact O-CD1 3.4Å; M70-I74 VanDerWaalsContact O-CG1 3.25Å; M70-I74 WeakPolarHBondContact O-CG1 3.44Å; M70-I74 PolarHBondContact O-N 3.12Å; M70-L132 HydrophobicContact CB-CD1 3.65Å
71I98.8Very high98.2Very high19 Ų1941 Ų4110%0.09721%0.21CC..Hα-helixtrans-59.2-47.9175.5-75.2166.5000110.8S67 K68 W73 I74 Y75 L129 L132 D134S67-I71 VanDerWaalsContact O-CB 3.26Å; S67-I71 WeakPolarHBondContact O-CB 3.46Å; S67-I71 WeakPolarHBondContact O-CD1 3.49Å; S67-I71 WeakPolarHBondContact O-CG1 3.19Å; S67-I71 PolarHBondContact O-N 2.73Å; K68-I71 PolarHBondContact O-N 2.66Å; I71-W73 VanDerWaalsContact C-N 3.32Å; I71-W73 PolarHBondContact O-N 3.23Å; I71-I74 PolarHBondContact O-N 3.44Å; I71-Y75 HydrophobicContact CG2-CD2 3.68Å; I71-Y75 HydrophobicContact CG2-CE2 3.81Å; I71-Y75 WeakPolarHBondContact O-CD2 3.41Å; I71-Y75 PolarHBondContact O-N 3Å; I71-L129 HydrophobicContact CB-CD2 4.49Å; I71-L129 HydrophobicContact CG1-CD2 4.32Å; I71-L129 HydrophobicContact CG2-CD2 4.12Å; I71-L132 HydrophobicContact CD1-CB 3.98Å; I71-L132 HydrophobicContact CG1-CB 3.84Å; I71-L132 HydrophobicContact CG1-CD1 3.73Å; I71-L132 HydrophobicContact CG1-CG 4.43Å; I71-D134 HydrophobicContact CD1-CB 4.04Å; I71-D134 HydrophobicContact CG1-CB 4.32Å
72E98.6Very high98.1Very high64 Ų6441.1 Ų41.130%0.29921%0.211SC..Hα-helixtrans-61.7-41.4177.6-69.7-56.5123.900111.5K68 V69 Y75 S76 Y103 T105 R138K68-E72 WeakPolarHBondContact O-CG 3.18Å; K68-E72 PolarHBondContact O-N 3.3Å; V69-E72 PolarHBondContact O-N 3.45Å; E72-Y75 PolarHBondContact O-N 3.47Å; E72-S76 PolarHBondContact O-N 3.32Å; E72-Y103 VanDerWaalsContact C-OH 3.29Å; E72-Y103 WeakPolarHBondContact CB-OH 3.37Å; E72-Y103 PolarHBondContact O-OH 2.91Å; E72-T105 HydrophobicContact CB-CG2 4.38Å; E72-T105 WeakPolarHBondContact O-CG2 3.3Å; E72-T105 WeakPolarHBondContact OE2-CB 3.11Å; E72-T105 WeakPolarHBondContact OE2-CG2 3.42Å; E72-T105 PolarHBondContact OE2-OG1 3.26Å; E72-R138 IonicContact OE1-CZ 3.35Å; E72-R138 IonicContact OE1-NH1 3.2Å; E72-R138 PolarHBondContact OE1-NH1 2.95Å; E72-R138 IonicContact OE1-NH2 2.65Å; E72-R138 IonicContact OE2-NH1 2.95Å
73W98.6Very high98Very high54 Ų5448.6 Ų48.621%0.20525%0.245CC..Hα-helixtrans-62.1-45.2176.1-177.485.6000112R45 L46 L49 V69 M70 I71 Y75 S76 Q77R45-W73 HydrophobicContact CB-CH2 4.44Å; L46-W73 HydrophobicContact CB-CH2 4.39Å; L46-W73 HydrophobicContact CB-CZ3 4.48Å; L46-W73 HydrophobicContact CD1-CH2 4.38Å; L46-W73 HydrophobicContact CD1-CZ3 3.66Å; L49-W73 HydrophobicContact CB-CZ3 4.25Å; L49-W73 HydrophobicContact CD1-CE3 3.62Å; L49-W73 HydrophobicContact CD1-CZ3 3.62Å; L49-W73 HydrophobicContact CD2-CZ3 4.46Å; L49-W73 HydrophobicContact CG-CZ3 4.33Å; V69-W73 PolarHBondContact O-N 3.48Å; M70-W73 PolarHBondContact O-N 3.28Å; I71-W73 VanDerWaalsContact C-N 3.32Å; I71-W73 PolarHBondContact O-N 3.23Å; W73-Y75 PolarHBondContact O-N 3.15Å; W73-S76 PolarHBondContact O-N 3.42Å; W73-S76 PolarHBondContact O-OG 2.97Å; W73-Q77 HydrophobicContact CH2-CG 4.28Å; W73-Q77 HydrophobicContact CZ2-CG 4.35Å; W73-Q77 HydrophobicContact CZ3-CG 4.37Å; W73-Q77 PolarHBondContact O-N 3.06Å; W73-Q77 PolarHBondContact O-NE2 2.98Å
74I98.8Very high97.9Very high0 Ų047.3 Ų47.30%024%0.243CC..Hα-helixtrans-60.8-45.9177.2-63.4158.2000110.3L46 L49 M70 I71 S76 Q77 F93 L129 L132L46-I74 HydrophobicContact CD1-CG1 4.1Å; L46-I74 HydrophobicContact CD1-CG2 4.24Å; L49-I74 HydrophobicContact CD2-CD1 3.96Å; L49-I74 HydrophobicContact CD2-CG1 3.98Å; M70-I74 WeakPolarHBondContact O-CD1 3.4Å; M70-I74 VanDerWaalsContact O-CG1 3.25Å; M70-I74 WeakPolarHBondContact O-CG1 3.44Å; M70-I74 PolarHBondContact O-N 3.12Å; I71-I74 PolarHBondContact O-N 3.44Å; I74-S76 PolarHBondContact O-N 3.38Å; I74-Q77 WeakPolarHBondContact O-CB 3.25Å; I74-Q77 PolarHBondContact O-N 3.03Å; I74-F93 HydrophobicContact CG2-CD1 4.19Å; I74-F93 HydrophobicContact CG2-CE1 3.87Å; I74-F93 WeakPolarHBondContact O-CD1 3.44Å; I74-F93 WeakPolarHBondContact O-CE1 3.37Å; I74-L129 HydrophobicContact CB-CD2 4.12Å; I74-L129 HydrophobicContact CB-CG 4.47Å; I74-L129 HydrophobicContact CD1-CD2 4.2Å; I74-L129 HydrophobicContact CD1-CG 4.46Å; I74-L129 HydrophobicContact CG2-CD1 4.16Å; I74-L129 HydrophobicContact CG2-CD2 3.97Å; I74-L129 HydrophobicContact CG2-CG 3.8Å; I74-L132 HydrophobicContact CD1-CD1 3.69Å
75Y98.8Very high97.8Very high1 Ų149.4 Ų49.40%0.00425%0.247CC..Hα-helixtrans-63.5-29.8177.8-86.9-60.7000113.6I71 E72 W73 Q77 Q78 L129 D134 R138 V139I71-Y75 HydrophobicContact CG2-CD2 3.68Å; I71-Y75 HydrophobicContact CG2-CE2 3.81Å; I71-Y75 WeakPolarHBondContact O-CD2 3.41Å; I71-Y75 PolarHBondContact O-N 3Å; E72-Y75 PolarHBondContact O-N 3.47Å; W73-Y75 PolarHBondContact O-N 3.15Å; Y75-Q77 PolarHBondContact O-N 3.04Å; Y75-Q78 VanDerWaalsContact O-CB 3.31Å; Y75-Q78 WeakPolarHBondContact O-CB 2.94Å; Y75-Q78 PolarHBondContact O-N 3.1Å; Y75-L129 HydrophobicContact CD2-CD2 3.89Å; Y75-L129 HydrophobicContact CE1-CD1 3.97Å; Y75-L129 HydrophobicContact CE2-CD1 4.11Å; Y75-L129 HydrophobicContact CE2-CD2 3.49Å; Y75-L129 VanDerWaalsContact CE2-CD2 3.49Å; Y75-L129 HydrophobicContact CE2-CG 4.46Å; Y75-D134 WeakPolarHBondContact CE2-OD2 3.31Å; Y75-D134 PolarHBondContact OH-OD1 3.23Å; Y75-R138 HydrophobicContact CD1-CB 4.07Å; Y75-R138 VanDerWaalsContact CD2-NH2 3.35Å; Y75-R138 HydrophobicContact CE1-CB 3.52Å; Y75-R138 HydrophobicContact CE2-CB 4.23Å; Y75-V139 HydrophobicContact CE1-CG2 3.95Å
76S98.4Very high97.8Very high9 Ų951.6 Ų51.66%0.06326%0.263CS..Hα-helixtrans-66.3-17.5173.476.80000113.7E72 W73 I74 R94 Y103 S104E72-S76 PolarHBondContact O-N 3.32Å; W73-S76 PolarHBondContact O-N 3.42Å; W73-S76 PolarHBondContact O-OG 2.97Å; I74-S76 PolarHBondContact O-N 3.38Å; S76-R94 PolarHBondContact O-NH1 3.18Å; S76-Y103 VanDerWaalsContact OG-CE2 3.27Å; S76-Y103 WeakPolarHBondContact OG-CE2 3.25Å; S76-S104 VanDerWaalsContact CA-O 3.3Å; S76-S104 WeakPolarHBondContact CA-O 3.47Å
77Q98.7Very high97.8Very high4 Ų447.8 Ų47.82%0.01924%0.243CC..THydrogen-bonded Turntrans-85.2-9.7174.1-51.6-44.5-53.100112.8W73 I74 Y75 V79 F93 R94 S96W73-Q77 HydrophobicContact CH2-CG 4.28Å; W73-Q77 HydrophobicContact CZ2-CG 4.35Å; W73-Q77 HydrophobicContact CZ3-CG 4.37Å; W73-Q77 PolarHBondContact O-N 3.06Å; W73-Q77 PolarHBondContact O-NE2 2.98Å; I74-Q77 WeakPolarHBondContact O-CB 3.25Å; I74-Q77 PolarHBondContact O-N 3.03Å; Y75-Q77 PolarHBondContact O-N 3.04Å; Q77-V79 PolarHBondContact O-N 3.49Å; Q77-F93 HydrophobicContact CB-CD1 4.26Å; Q77-F93 CarbonylContact O-C 3.54Å; Q77-F93 WeakPolarHBondContact O-CA 3.45Å; Q77-R94 HydrophobicContact CB-CB 4.27Å; Q77-R94 WeakPolarHBondContact O-CG 3.38Å; Q77-R94 PolarHBondContact O-N 3.45Å; Q77-R94 PolarHBondContact O-NH1 3.35Å; Q77-S96 VanDerWaalsContact OE1-CA 3.29Å; Q77-S96 PolarHBondContact OE1-O 2.94Å
78Q98.7Very high97.7Very high7 Ų747.6 Ų47.63%0.03324%0.239CC..EExtended strand (participates in β ladder)trans-67.4130.8178.5-170171.7-16400110.9Y75 L80 G92 F93 R94 R138Y75-Q78 VanDerWaalsContact O-CB 3.31Å; Y75-Q78 WeakPolarHBondContact O-CB 2.94Å; Y75-Q78 PolarHBondContact O-N 3.1Å; Q78-L80 HydrophobicContact CG-CD2 3.91Å; Q78-L80 HydrophobicContact CG-CG 4.27Å; Q78-L80 PolarHBondContact O-N 3.1Å; Q78-G92 WeakPolarHBondContact CA-O 3.26Å; Q78-F93 HydrophobicContact CB-CD1 4.13Å; Q78-F93 HydrophobicContact CB-CE1 3.8Å; Q78-F93 HydrophobicContact CB-CE2 4.41Å; Q78-F93 HydrophobicContact CB-CZ 3.95Å; Q78-F93 HydrophobicContact CG-CE1 4.35Å; Q78-F93 HydrophobicContact CG-CE2 4.11Å; Q78-F93 HydrophobicContact CG-CZ 4Å; Q78-R94 PolarHBondContact O-NH1 2.91Å; Q78-R138 PolarHBondContact NE2-O 3.38Å
79V98.4Very high97.7Very high1 Ų143.3 Ų43.31%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-8793.3171.6-174.90000107.7Q77 R90 G92 R94Q77-V79 PolarHBondContact O-N 3.49Å; V79-R90 WeakPolarHBondContact CG1-O 3.41Å; V79-G92 PolarHBondContact N-O 3.25Å; V79-R94 HydrophobicContact CG2-CG 3.67Å
80L97.9Very high97.7Very high24 Ų2440.8 Ų40.813%0.12621%0.205CC..PPolyproline II helixtrans-76.3151.5-179.9-67.5172000111.1Q78 N87 G107 G109 N140Q78-L80 HydrophobicContact CG-CD2 3.91Å; Q78-L80 HydrophobicContact CG-CG 4.27Å; Q78-L80 PolarHBondContact O-N 3.1Å; L80-N87 PolarHBondContact O-ND2 3.32Å; L80-N87 VanDerWaalsContact O-ND2 3.15Å; L80-G107 WeakPolarHBondContact CD1-O 3.38Å; L80-G109 WeakPolarHBondContact O-CA 3.48Å; L80-N140 HydrophobicContact CD2-CB 4.04Å
81P97.3Very high97.6Very high15 Ų1539.6 Ų39.610%0.09720%0.201CC..PPolyproline II helixtrans-65139.9173.926.5-32.6000110.6K85 N87 L88 P108 G109 N140 A143P81-K85 HydrophobicContact CB-CG 4.42Å; P81-N87 VanDerWaalsContact CA-OD1 3.24Å; P81-N87 WeakPolarHBondContact CA-OD1 3.47Å; P81-L88 HydrophobicContact CB-CD2 4.01Å; P81-P108 WeakPolarHBondContact O-CA 3.31Å; P81-G109 PolarHBondContact O-N 3.02Å; P81-N140 WeakPolarHBondContact CG-ND2 3.35Å; P81-A143 HydrophobicContact CG-CB 4.37Å
82T97Very high97.6Very high9 Ų938.7 Ų38.76%0.05520%0.197CC..PPolyproline II helixtrans-61.8165.7169.251.50000110.6D84 K85 S86 N87 L111T82-D84 VanDerWaalsContact CB-OD1 3.29Å; T82-D84 WeakPolarHBondContact CB-OD1 3.34Å; T82-D84 PolarHBondContact O-N 3.3Å; T82-D84 PolarHBondContact OG1-OD1 3.31Å; T82-K85 WeakPolarHBondContact O-CA 3.33Å; T82-K85 PolarHBondContact O-N 3.42Å; T82-S86 PolarHBondContact OG1-N 3.28Å; T82-S86 PolarHBondContact OG1-OG 3.48Å; T82-N87 PolarHBondContact N-OD1 2.81Å; T82-N87 PolarHBondContact OG1-OD1 3.29Å; T82-L111 HydrophobicContact CG2-CB 3.85Å; T82-L111 HydrophobicContact CG2-CD1 4.16Å
83Q95.7Very high97.6Very high180 Ų18035.7 Ų35.784%0.84118%0.182SC*.THydrogen-bonded Turntrans-57.9-34.8-178.9-173.71757.800113.1K85 P108Q83-K85 VanDerWaalsContact C-N 3.33Å; Q83-P108 HydrophobicContact CB-CB 4.21Å
84D96.3Very high97.7Very high115 Ų11534 Ų3462%0.61518%0.176SC*.THydrogen-bonded Turntrans-87.81.8176.167.3-12.9000113.5T82 S86T82-D84 VanDerWaalsContact CB-OD1 3.29Å; T82-D84 WeakPolarHBondContact CB-OD1 3.34Å; T82-D84 PolarHBondContact O-N 3.3Å; T82-D84 PolarHBondContact OG1-OD1 3.31Å; D84-S86 VanDerWaalsContact CG-OG 3.29Å; D84-S86 PolarHBondContact O-N 3.47Å; D84-S86 VanDerWaalsContact O-N 3.13Å; D84-S86 WeakPolarHBondContact OD1-CB 3.39Å; D84-S86 PolarHBondContact OD1-N 2.96Å; D84-S86 PolarHBondContact OD1-OG 3.13Å; D84-S86 WeakPolarHBondContact OD2-CB 3.09Å; D84-S86 PolarHBondContact OD2-OG 3.4Å; D84-S86 VanDerWaalsContact OD2-OG 3.13Å
85K96.4Very high97.6Very high96 Ų9634.2 Ų34.242%0.41718%0.178SC..  trans55.522-176.6-62.8-171.2167.8-160.60114.5P81 T82 Q83 N87 L88 E142P81-K85 HydrophobicContact CB-CG 4.42Å; T82-K85 WeakPolarHBondContact O-CA 3.33Å; T82-K85 PolarHBondContact O-N 3.42Å; Q83-K85 VanDerWaalsContact C-N 3.33Å; K85-N87 PolarHBondContact O-N 3.48Å; K85-L88 HydrophobicContact CB-CD1 3.97Å; K85-L88 HydrophobicContact CB-CG 4.03Å; K85-L88 HydrophobicContact CD-CD1 4.25Å; K85-L88 WeakPolarHBondContact O-CG 3.32Å; K85-L88 PolarHBondContact O-N 3.03Å; K85-E142 VanDerWaalsContact NZ-CD 3.32Å; K85-E142 IonicContact NZ-OE1 2.9Å; K85-E142 PolarHBondContact NZ-OE1 3.34Å; K85-E142 IonicContact NZ-OE2 2.89Å; K85-E142 PolarHBondContact NZ-OE2 3.46Å
86S96.1Very high97.6Very high67 Ų6734.1 Ų34.147%0.46918%0.178SC..THydrogen-bonded Turntrans-67.8-18.8-176.457.10000114.4T82 D84T82-S86 PolarHBondContact OG1-N 3.28Å; T82-S86 PolarHBondContact OG1-OG 3.48Å; D84-S86 VanDerWaalsContact CG-OG 3.29Å; D84-S86 PolarHBondContact O-N 3.47Å; D84-S86 VanDerWaalsContact O-N 3.13Å; D84-S86 WeakPolarHBondContact OD1-CB 3.39Å; D84-S86 PolarHBondContact OD1-N 2.96Å; D84-S86 PolarHBondContact OD1-OG 3.13Å; D84-S86 WeakPolarHBondContact OD2-CB 3.09Å; D84-S86 PolarHBondContact OD2-OG 3.4Å; D84-S86 VanDerWaalsContact OD2-OG 3.13Å
87N97.1Very high97.6Very high11 Ų1136.2 Ų36.26%0.05920%0.195CC..THydrogen-bonded Turntrans-105.519.918074.3-33.7000114.4L80 P81 T82 K85 N89 R90L80-N87 PolarHBondContact O-ND2 3.32Å; L80-N87 VanDerWaalsContact O-ND2 3.15Å; P81-N87 VanDerWaalsContact CA-OD1 3.24Å; P81-N87 WeakPolarHBondContact CA-OD1 3.47Å; T82-N87 PolarHBondContact N-OD1 2.81Å; T82-N87 PolarHBondContact OG1-OD1 3.29Å; K85-N87 PolarHBondContact O-N 3.48Å; N87-N89 PolarHBondContact O-N 3.38Å; N87-N89 VanDerWaalsContact O-N 3.14Å; N87-R90 WeakPolarHBondContact O-CB 3.15Å; N87-R90 PolarHBondContact O-N 2.89Å
88L96.4Very high97.5Very high38 Ų3840.6 Ų40.620%0.19922%0.216CC..G310 helixtrans-53.6-35.8-178.7-84.9173.8000113.5P81 K85 R90 G91 E142 A143 A146 G147P81-L88 HydrophobicContact CB-CD2 4.01Å; K85-L88 HydrophobicContact CB-CD1 3.97Å; K85-L88 HydrophobicContact CB-CG 4.03Å; K85-L88 HydrophobicContact CD-CD1 4.25Å; K85-L88 WeakPolarHBondContact O-CG 3.32Å; K85-L88 PolarHBondContact O-N 3.03Å; L88-R90 PolarHBondContact O-N 2.82Å; L88-R90 VanDerWaalsContact O-N 3.12Å; L88-G91 PolarHBondContact O-N 3.44Å; L88-E142 HydrophobicContact CD2-CG 4.44Å; L88-A143 HydrophobicContact CD2-CB 4.01Å; L88-A146 HydrophobicContact CB-CB 4.2Å; L88-G147 PolarHBondContact O-N 2.73Å
89N96.9Very high97.4Very high76 Ų7642.4 Ų42.441%0.40623%0.225SC..G310 helixtrans-69.2-0.3176.364.4-22.1000114.4N87 V150N87-N89 PolarHBondContact O-N 3.38Å; N87-N89 VanDerWaalsContact O-N 3.14Å; N89-V150 HydrophobicContact CB-CB 4.44Å; N89-V150 HydrophobicContact CB-CG1 3.8Å; N89-V150 HydrophobicContact CB-CG2 3.95Å; N89-V150 WeakPolarHBondContact O-CG2 3.44Å
90R98.2Very high97.3Very high33 Ų3345.3 Ų45.313%0.12526%0.255CS..G310 helixtrans-117.56.1178.6-54.8179.880.2-170.19.2112.4V79 N87 L88 H112 P113 D115 G117 P162 E163V79-R90 WeakPolarHBondContact CG1-O 3.41Å; N87-R90 WeakPolarHBondContact O-CB 3.15Å; N87-R90 PolarHBondContact O-N 2.89Å; L88-R90 PolarHBondContact O-N 2.82Å; L88-R90 VanDerWaalsContact O-N 3.12Å; R90-H112 PolarHBondContact NH1-O 3.16Å; R90-P113 PolarHBondContact NH1-O 3.17Å; R90-P113 PolarHBondContact NH2-O 3.48Å; R90-D115 PolarHBondContact NE-O 3.06Å; R90-D115 PolarHBondContact NH1-O 2.89Å; R90-D115 PolarHBondContact NH2-O 3.36Å; R90-G117 PolarHBondContact O-N 3.27Å; R90-P162 HydrophobicContact CB-CG 4.4Å; R90-P162 HydrophobicContact CG-CG 4.03Å; R90-E163 IonicContact CZ-OE1 3.18Å; R90-E163 IonicContact NE-OE1 2.9Å; R90-E163 PolarHBondContact NE-OE1 2.76Å; R90-E163 IonicContact NH2-OE1 2.94Å; R90-E163 PolarHBondContact NH2-OE1 2.92Å
91G97.7Very high97.1Very high8 Ų845.5 Ų45.58%0.08226%0.256CS..  trans-62.6158.8178.800000113L88 A143L88-G91 PolarHBondContact O-N 3.44Å; G91-A143 WeakPolarHBondContact CA-O 3.36Å
92G98.5Very high97Very high1 Ų149.2 Ų49.21%0.0128%0.28CS..EExtended strand (participates in β ladder)trans136.5-154.7-173.200000111.2Q78 V79 T122Q78-G92 WeakPolarHBondContact CA-O 3.26Å; V79-G92 PolarHBondContact N-O 3.25Å; G92-T122 VanDerWaalsContact CA-OG1 3.26Å; G92-T122 WeakPolarHBondContact CA-OG1 3.46Å
93F98.9Very high97Very high0 Ų055.8 Ų55.80%031%0.305CS..EExtended strand (participates in β ladder)trans-121.1143.3174.6-71.1-111.4000110.8L46 I74 Q77 Q78 G117 H118 M121 T122 L126 L129 V139L46-F93 HydrophobicContact CD2-CB 3.91Å; L46-F93 HydrophobicContact CD2-CD1 4.39Å; I74-F93 HydrophobicContact CG2-CD1 4.19Å; I74-F93 HydrophobicContact CG2-CE1 3.87Å; I74-F93 WeakPolarHBondContact O-CD1 3.44Å; I74-F93 WeakPolarHBondContact O-CE1 3.37Å; Q77-F93 HydrophobicContact CB-CD1 4.26Å; Q77-F93 CarbonylContact O-C 3.54Å; Q77-F93 WeakPolarHBondContact O-CA 3.45Å; Q78-F93 HydrophobicContact CB-CD1 4.13Å; Q78-F93 HydrophobicContact CB-CE1 3.8Å; Q78-F93 HydrophobicContact CB-CE2 4.41Å; Q78-F93 HydrophobicContact CB-CZ 3.95Å; Q78-F93 HydrophobicContact CG-CE1 4.35Å; Q78-F93 HydrophobicContact CG-CE2 4.11Å; Q78-F93 HydrophobicContact CG-CZ 4Å; F93-G117 WeakPolarHBondContact O-CA 3.4Å; F93-H118 PolarHBondContact O-N 3.36Å; F93-M121 VanDerWaalsContact O-CB 3.32Å; F93-M121 WeakPolarHBondContact O-CB 3.4Å; F93-T122 HydrophobicContact CD2-CG2 4.2Å; F93-T122 PolarHBondContact N-OG1 2.85Å; F93-L126 HydrophobicContact CE2-CD2 4.32Å; F93-L129 HydrophobicContact CE1-CD1 4.48Å; F93-L129 HydrophobicContact CZ-CD1 4.21Å; F93-V139 HydrophobicContact CZ-CG2 4.47Å
94R98.8Very high96.9Very high20 Ų2050 Ų508%0.07528%0.284CS..  trans-74.8159167.4-55174.1-166.887.76.1109.5L46 S76 Q77 Q78 V79 D115L46-R94 WeakPolarHBondContact CD2-O 3.44Å; S76-R94 PolarHBondContact O-NH1 3.18Å; Q77-R94 HydrophobicContact CB-CB 4.27Å; Q77-R94 WeakPolarHBondContact O-CG 3.38Å; Q77-R94 PolarHBondContact O-N 3.45Å; Q77-R94 PolarHBondContact O-NH1 3.35Å; Q78-R94 PolarHBondContact O-NH1 2.91Å; V79-R94 HydrophobicContact CG2-CG 3.67Å; R94-D115 WeakPolarHBondContact CD-OD1 3.36Å; R94-D115 IonicContact CZ-OD1 3.92Å; R94-D115 IonicContact CZ-OD2 3.34Å; R94-D115 IonicContact NE-OD1 3.94Å; R94-D115 PolarHBondContact NE-OD1 3.02Å; R94-D115 IonicContact NE-OD2 3.73Å; R94-D115 PolarHBondContact NE-OD2 2.95Å; R94-D115 IonicContact NH2-OD1 2.68Å; R94-D115 IonicContact NH2-OD2 3.94Å; R94-D115 PolarHBondContact NH2-OD2 3.39Å
95G98.4Very high96.7Very high3 Ų345.6 Ų45.63%0.03126%0.261CS..SBendtrans-80.5-24.6170.500000114T43 R45 L46T43-G95 WeakPolarHBondContact O-CA 3.46Å; R45-G95 WeakPolarHBondContact CB-O 3.35Å; R45-G95 PolarHBondContact N-O 3.26Å; L46-G95 PolarHBondContact N-O 2.72Å
96S98.6Very high96.3Very high0 Ų048.1 Ų48.10%027%0.272CS..SBendtrans-167179.3174.978.30000111.4E42 Q77 H98E42-S96 WeakPolarHBondContact O-CB 3.42Å; E42-S96 PolarHBondContact O-OG 3.4Å; E42-S96 WeakPolarHBondContact OE1-CB 3.33Å; E42-S96 PolarHBondContact OE1-OG 3.14Å; Q77-S96 VanDerWaalsContact OE1-CA 3.29Å; Q77-S96 PolarHBondContact OE1-O 2.94Å; S96-H98 PolarHBondContact O-N 3.12Å; S96-H98 WeakPolarHBondContact OG-CB 3.47Å; S96-H98 PolarHBondContact OG-N 3.03Å; S96-H98 VanDerWaalsContact OG-N 3.17Å; S96-H98 PolarHBondContact OG-ND1 3.22Å
97A97.5Very high95.8Very high53 Ų5347.4 Ų47.444%0.43828%0.275SS..SBendtrans-81.517.3175.100000114.6I99 G100A97-I99 PolarHBondContact O-N 2.87Å; A97-I99 VanDerWaalsContact O-N 3.08Å; A97-G100 PolarHBondContact O-N 2.92Å
98H97.6Very high95.5Very high96 Ų9650.9 Ų50.944%0.44430%0.299SS..THydrogen-bonded Turntrans-57.9-24.4-174.670.8-78.9000115E42 S96 G100E42-H98 HydrophobicContact CG-CB 3.84Å; S96-H98 PolarHBondContact O-N 3.12Å; S96-H98 WeakPolarHBondContact OG-CB 3.47Å; S96-H98 PolarHBondContact OG-N 3.03Å; S96-H98 VanDerWaalsContact OG-N 3.17Å; S96-H98 PolarHBondContact OG-ND1 3.22Å; H98-G100 PolarHBondContact O-N 2.94Å
99I95.3Very high95.4Very high45 Ų4549.9 Ų49.923%0.23130%0.298CS..THydrogen-bonded Turntrans-71.1-18177-62.3-177.7000111.8A97 I101 H112 D115A97-I99 PolarHBondContact O-N 2.87Å; A97-I99 VanDerWaalsContact O-N 3.08Å; I99-I101 HydrophobicContact CB-CG1 4.38Å; I99-I101 HydrophobicContact CG2-CD1 4.14Å; I99-I101 HydrophobicContact CG2-CG1 3.97Å; I99-H112 WeakPolarHBondContact CG2-CE1 3.18Å; I99-D115 HydrophobicContact CD1-CB 4.39Å; I99-D115 HydrophobicContact CG2-CB 4.5Å
100G96Very high95.2Very high61 Ų6150.1 Ų50.163%0.62930%0.302SS*.  trans81.318.1179.700000114.4A97 H98A97-G100 PolarHBondContact O-N 2.92Å; H98-G100 PolarHBondContact O-N 2.94Å
101I95.6Very high94.9Very high29 Ų2954.1 Ų54.115%0.14933%0.325CS..PPolyproline II helixtrans-62133169.6-57-61.7000109I99 Y103 H112 D115I99-I101 HydrophobicContact CB-CG1 4.38Å; I99-I101 HydrophobicContact CG2-CD1 4.14Å; I99-I101 HydrophobicContact CG2-CG1 3.97Å; I101-Y103 PolarHBondContact O-N 2.83Å; I101-H112 HydrophobicContact CD1-CB 3.49Å; I101-H112 VanDerWaalsContact CD1-CB 3.49Å; I101-D115 HydrophobicContact CD1-CB 4.3Å; I101-D115 HydrophobicContact CG1-CB 4.45Å
102P94.3Very high94.9Very high93 Ų9356.4 Ų56.460%0.60433%0.334SS*.PPolyproline II helixtrans-55.4139.2177-26.434.7000112.1S104P102-S104 PolarHBondContact O-N 3.03Å; P102-S104 VanDerWaalsContact O-N 3.14Å
103Y96.3Very high94.8Very high147 Ų14760.8 Ų60.858%0.57636%0.362SS*.PPolyproline II helixtrans-57.1119.4177.8-175.8-84.5000110.7E72 S76 I101 T105E72-Y103 VanDerWaalsContact C-OH 3.29Å; E72-Y103 WeakPolarHBondContact CB-OH 3.37Å; E72-Y103 PolarHBondContact O-OH 2.91Å; S76-Y103 VanDerWaalsContact OG-CE2 3.27Å; S76-Y103 WeakPolarHBondContact OG-CE2 3.25Å; I101-Y103 PolarHBondContact O-N 2.83Å; Y103-T105 HydrophobicContact CE1-CG2 3.92Å
104S93.7Very high94.7Very high58 Ų5869.2 Ų69.241%0.40640%0.395SS..  trans-150.6136.5175.8-176.40000110.8S76 P102 K106S76-S104 VanDerWaalsContact CA-O 3.3Å; S76-S104 WeakPolarHBondContact CA-O 3.47Å; P102-S104 PolarHBondContact O-N 3.03Å; P102-S104 VanDerWaalsContact O-N 3.14Å; S104-K106 PolarHBondContact OG-N 3.42Å; S104-K106 PolarHBondContact OG-O 2.89Å
105T92.7Very high94.7Very high22 Ų2268.4 Ų68.414%0.13539%0.392CS..SBendtrans-109.81.4175.262.60000112.8E72 Y103E72-T105 HydrophobicContact CB-CG2 4.38Å; E72-T105 WeakPolarHBondContact O-CG2 3.3Å; E72-T105 WeakPolarHBondContact OE2-CB 3.11Å; E72-T105 WeakPolarHBondContact OE2-CG2 3.42Å; E72-T105 PolarHBondContact OE2-OG1 3.26Å; Y103-T105 HydrophobicContact CE1-CG2 3.92Å
106K88.7Confident94.6Very high149 Ų14969 Ų6965%0.64840%0.396SS*.SBendtrans-148.7167.5-172.6-61.6-176.8-176.3177.70112.4S104S104-K106 PolarHBondContact OG-N 3.42Å; S104-K106 PolarHBondContact OG-O 2.89Å
107G84.3Confident94.7Very high52 Ų5269.1 Ų69.154%0.53640%0.397SS..SBendtrans87.4-179173.400000113.5L80L80-G107 WeakPolarHBondContact CD1-O 3.38Å
108P91.4Very high94.7Very high84 Ų8468.9 Ų68.955%0.54539%0.387SS..SBendtrans-63.9147.1169.529.1-33000109.6P81 Q83P81-P108 WeakPolarHBondContact O-CA 3.31Å; Q83-P108 HydrophobicContact CB-CB 4.21Å
109G93.1Very high94.8Very high18 Ų1864.4 Ų64.419%0.18637%0.366CS..PPolyproline II helixtrans-63.8154.1174.700000112.3L80 P81L80-G109 WeakPolarHBondContact O-CA 3.48Å; P81-G109 PolarHBondContact O-N 3.02Å
110V93.1Very high95Very high81 Ų8163.1 Ų63.149%0.49136%0.362SS..PPolyproline II helixtrans-85.5124.8172.8179.70000108.3H112V110-H112 PolarHBondContact O-N 3.27Å
111L93.2Very high95.1Very high117 Ų11760.4 Ų60.461%0.61333%0.333SS*.PPolyproline II helixtrans-65.6126.1175.5-177.666000109.7T82T82-L111 HydrophobicContact CG2-CB 3.85Å; T82-L111 HydrophobicContact CG2-CD1 4.16Å
112H96.5Very high95.3Very high56 Ų5659.3 Ų59.326%0.25933%0.328SS..  trans-140.8136.4171.8178.3-85.8000110.5R90 I99 I101 V110 Y114 D115R90-H112 PolarHBondContact NH1-O 3.16Å; I99-H112 WeakPolarHBondContact CG2-CE1 3.18Å; I101-H112 HydrophobicContact CD1-CB 3.49Å; I101-H112 VanDerWaalsContact CD1-CB 3.49Å; V110-H112 PolarHBondContact O-N 3.27Å; H112-Y114 PolarHBondContact ND1-N 3.46Å; H112-Y114 VanDerWaalsContact ND1-N 3.16Å; H112-Y114 PolarHBondContact O-N 3.43Å; H112-Y114 VanDerWaalsContact O-N 3.11Å; H112-D115 HydrophobicContact CB-CB 3.65Å; H112-D115 PolarHBondContact ND1-N 3.24Å; H112-D115 PolarHBondContact O-N 2.91Å
113P95.9Very high95.5Very high93 Ų9355.5 Ų55.560%0.60430%0.302SS*.THydrogen-bonded Turntrans-57.7-31.7-171.9-27.135.2000114.7R90R90-P113 PolarHBondContact NH1-O 3.17Å; R90-P113 PolarHBondContact NH2-O 3.48Å
114Y97.2Very high95.6Very high176 Ų17648.8 Ų48.869%0.6928%0.276SS*.THydrogen-bonded Turntrans-117.712.4-174.4-55.9-71.1000114.1H112H112-Y114 PolarHBondContact ND1-N 3.46Å; H112-Y114 VanDerWaalsContact ND1-N 3.16Å; H112-Y114 PolarHBondContact O-N 3.43Å; H112-Y114 VanDerWaalsContact O-N 3.11Å
115D98.3Very high95.8Very high4 Ų446 Ų462%0.02126%0.257CS..  trans-91.7116.1180-173.242.2000112.1R90 R94 I99 I101 H112R90-D115 PolarHBondContact NE-O 3.06Å; R90-D115 PolarHBondContact NH1-O 2.89Å; R90-D115 PolarHBondContact NH2-O 3.36Å; R94-D115 WeakPolarHBondContact CD-OD1 3.36Å; R94-D115 IonicContact CZ-OD1 3.92Å; R94-D115 IonicContact CZ-OD2 3.34Å; R94-D115 IonicContact NE-OD1 3.94Å; R94-D115 PolarHBondContact NE-OD1 3.02Å; R94-D115 IonicContact NE-OD2 3.73Å; R94-D115 PolarHBondContact NE-OD2 2.95Å; R94-D115 IonicContact NH2-OD1 2.68Å; R94-D115 IonicContact NH2-OD2 3.94Å; R94-D115 PolarHBondContact NH2-OD2 3.39Å; I99-D115 HydrophobicContact CD1-CB 4.39Å; I99-D115 HydrophobicContact CG2-CB 4.5Å; I101-D115 HydrophobicContact CD1-CB 4.3Å; I101-D115 HydrophobicContact CG1-CB 4.45Å; H112-D115 HydrophobicContact CB-CB 3.65Å; H112-D115 PolarHBondContact ND1-N 3.24Å; H112-D115 PolarHBondContact O-N 2.91Å
116S98.4Very high96.1Very high15 Ų1545 Ų4511%0.10525%0.25CS..  trans-147.1157.6-179.260.90000111.7E163S116-E163 WeakPolarHBondContact CB-OE1 3.4Å; S116-E163 VanDerWaalsContact OG-CD 3.28Å; S116-E163 PolarHBondContact OG-OE1 2.89Å; S116-E163 PolarHBondContact OG-OE2 3.12Å
117G98.6Very high96.6Very high3 Ų337.9 Ų37.93%0.03122%0.219CC..  trans-72.3154.2170.100000111.7R90 F93R90-G117 PolarHBondContact O-N 3.27Å; F93-G117 WeakPolarHBondContact O-CA 3.4Å
118H98.9Very high97.3Very high48 Ų4835.4 Ų35.422%0.22219%0.194CC..  trans-116.9130.6171.2179-57.8000109.2F93 A120 M121 T122 A160 V161F93-H118 PolarHBondContact O-N 3.36Å; H118-A120 PolarHBondContact ND1-N 2.93Å; H118-A120 VanDerWaalsContact ND1-N 3.14Å; H118-A120 PolarHBondContact O-N 2.79Å; H118-M121 HydrophobicContact CB-CB 4.08Å; H118-M121 HydrophobicContact CB-CG 3.7Å; H118-M121 CarbonylContact O-C 3.55Å; H118-M121 WeakPolarHBondContact O-CA 3.37Å; H118-M121 WeakPolarHBondContact O-CB 3.43Å; H118-M121 PolarHBondContact O-N 3.19Å; H118-T122 PolarHBondContact O-N 2.94Å; H118-T122 PolarHBondContact O-OG1 3.3Å; H118-A160 CarbonylContact C-O 3.52Å; H118-A160 WeakPolarHBondContact CA-O 3.31Å; H118-V161 HydrophobicContact CB-CG1 3.9Å
119V98.9Very high97.7Very high1 Ų131.4 Ų31.41%0.00617%0.168CC..Hα-helixtrans-56.4-43.8-170.772.90000113.7M121 T122 Y123 L148 L151 A160 F171 C174 I178V119-M121 VanDerWaalsContact C-N 3.28Å; V119-M121 PolarHBondContact O-N 2.81Å; V119-T122 PolarHBondContact O-N 2.65Å; V119-Y123 PolarHBondContact O-N 3.48Å; V119-L148 HydrophobicContact CG2-CD1 3.58Å; V119-L151 HydrophobicContact CB-CD1 3.78Å; V119-L151 HydrophobicContact CG2-CD1 4.23Å; V119-A160 PolarHBondContact N-O 3.03Å; V119-F171 HydrophobicContact CG1-CB 3.99Å; V119-F171 HydrophobicContact CG1-CD1 3.4Å; V119-F171 VanDerWaalsContact CG1-CD1 3.4Å; V119-F171 HydrophobicContact CG1-CE1 4.15Å; V119-F171 HydrophobicContact CG1-CG 3.89Å; V119-C174 HydrophobicContact CB-CB 4.44Å; V119-C174 HydrophobicContact CG1-CB 4.14Å; V119-C174 HydrophobicContact CG2-CB 3.74Å; V119-I178 HydrophobicContact CG2-CD1 3.83Å
120A98.9Very high98Very high18 Ų1830.5 Ų30.515%0.14916%0.159CC..Hα-helixtrans-66.2-29.717600000113.2H118 T124H118-A120 PolarHBondContact ND1-N 2.93Å; H118-A120 VanDerWaalsContact ND1-N 3.14Å; H118-A120 PolarHBondContact O-N 2.79Å; A120-T124 WeakPolarHBondContact O-CB 3.43Å; A120-T124 WeakPolarHBondContact O-CG2 3.46Å; A120-T124 PolarHBondContact O-N 2.98Å; A120-T124 PolarHBondContact O-OG1 3.46Å
121M98.9Very high98.2Very high4 Ų426.7 Ų26.72%0.0214%0.136CC..Hα-helixtrans-76.8-38.4177-55.7-55.4127.100110.4T44 L46 S47 F93 H118 V119 T124 G125T44-M121 HydrophobicContact CG2-CE 3.72Å; L46-M121 HydrophobicContact CB-SD 4.08Å; L46-M121 HydrophobicContact CD2-CB 4.11Å; L46-M121 WeakPolarHBondContact CD2-O 3.38Å; S47-M121 VanDerWaalsContact OG-CE 3.24Å; S47-M121 WeakPolarHBondContact OG-CE 3.29Å; F93-M121 VanDerWaalsContact O-CB 3.32Å; F93-M121 WeakPolarHBondContact O-CB 3.4Å; H118-M121 HydrophobicContact CB-CB 4.08Å; H118-M121 HydrophobicContact CB-CG 3.7Å; H118-M121 CarbonylContact O-C 3.55Å; H118-M121 WeakPolarHBondContact O-CA 3.37Å; H118-M121 WeakPolarHBondContact O-CB 3.43Å; H118-M121 PolarHBondContact O-N 3.19Å; V119-M121 VanDerWaalsContact C-N 3.28Å; V119-M121 PolarHBondContact O-N 2.81Å; M121-T124 WeakPolarHBondContact CA-OG1 3.19Å; M121-T124 PolarHBondContact O-N 3.12Å; M121-T124 PolarHBondContact O-OG1 3.19Å; M121-G125 WeakPolarHBondContact O-CA 3.43Å; M121-G125 PolarHBondContact O-N 3.22Å
122T98.9Very high98.5Very high7 Ų721.9 Ų21.94%0.04311%0.111CC..Hα-helixtrans-59.3-47.3169.8-55.40000111.1G92 F93 H118 V119 L126 V144 I178G92-T122 VanDerWaalsContact CA-OG1 3.26Å; G92-T122 WeakPolarHBondContact CA-OG1 3.46Å; F93-T122 HydrophobicContact CD2-CG2 4.2Å; F93-T122 PolarHBondContact N-OG1 2.85Å; H118-T122 PolarHBondContact O-N 2.94Å; H118-T122 PolarHBondContact O-OG1 3.3Å; V119-T122 PolarHBondContact O-N 2.65Å; T122-L126 HydrophobicContact CG2-CD1 4.31Å; T122-L126 VanDerWaalsContact O-CG 3.28Å; T122-L126 WeakPolarHBondContact O-CG 3.19Å; T122-L126 PolarHBondContact O-N 2.84Å; T122-L126 VanDerWaalsContact O-N 3.08Å; T122-V144 HydrophobicContact CG2-CG1 3.65Å; T122-V144 HydrophobicContact CG2-CG2 4.49Å; T122-I178 HydrophobicContact CG2-CD1 3.64Å; T122-I178 HydrophobicContact CG2-CG1 3.98Å; T122-I178 HydrophobicContact CG2-CG2 4.3Å
123Y98.9Very high98.6Very high12 Ų1221.1 Ų21.15%0.04712%0.118CC..Hα-helixtrans-57.4-57.2174.6160.4-117.4000111.9V119 G125 L126 C127 Y173 S177 M181 L341V119-Y123 PolarHBondContact O-N 3.48Å; Y123-G125 VanDerWaalsContact C-N 3.32Å; Y123-G125 PolarHBondContact O-N 2.85Å; Y123-L126 PolarHBondContact O-N 3.13Å; Y123-C127 WeakPolarHBondContact CE2-SG 3.28Å; Y123-C127 PolarHBondContact O-N 3.3Å; Y123-C127 PolarHBondContact O-SG 3Å; Y123-Y173 HydrophobicContact CE1-CE1 4.08Å; Y123-Y173 HydrophobicContact CE2-CE1 4.45Å; Y123-Y173 AromaticContact CZ-CE1 3.9Å; Y123-Y173 PolarHBondContact OH-OH 2.63Å; Y123-S177 VanDerWaalsContact CD2-CB 3.42Å; Y123-M181 HydrophobicContact CD2-CE 3.84Å; Y123-M181 HydrophobicContact CE2-CE 4.42Å; Y123-L341 PolarHBondContact OH-O 3.05Å; Y123-L341 VanDerWaalsContact OH-O 3.11Å
124T98.9Very high98.7Very high6 Ų617.4 Ų17.44%0.0379%0.093CC..Hα-helixtrans-67.3-30.6-176.4480000113.2S47 F50 A120 M121 S128S47-T124 PolarHBondContact OG-OG1 3.4Å; F50-T124 HydrophobicContact CB-CG2 3.95Å; F50-T124 HydrophobicContact CD1-CG2 3.73Å; F50-T124 HydrophobicContact CD2-CG2 4.48Å; F50-T124 HydrophobicContact CE1-CG2 4.37Å; F50-T124 HydrophobicContact CG-CG2 3.78Å; A120-T124 WeakPolarHBondContact O-CB 3.43Å; A120-T124 WeakPolarHBondContact O-CG2 3.46Å; A120-T124 PolarHBondContact O-N 2.98Å; A120-T124 PolarHBondContact O-OG1 3.46Å; M121-T124 WeakPolarHBondContact CA-OG1 3.19Å; M121-T124 PolarHBondContact O-N 3.12Å; M121-T124 PolarHBondContact O-OG1 3.19Å; T124-S128 VanDerWaalsContact O-CB 3.27Å; T124-S128 WeakPolarHBondContact O-CB 3.21Å; T124-S128 PolarHBondContact O-N 3.33Å; T124-S128 PolarHBondContact O-OG 2.86Å
125G98.9Very high98.8Very high0 Ų012.6 Ų12.60%08%0.079CC..Hα-helixtrans-63.9-49.517300000112.6M121 Y123 S128 L129M121-G125 WeakPolarHBondContact O-CA 3.43Å; M121-G125 PolarHBondContact O-N 3.22Å; Y123-G125 VanDerWaalsContact C-N 3.32Å; Y123-G125 PolarHBondContact O-N 2.85Å; G125-S128 PolarHBondContact O-N 3.02Å; G125-L129 WeakPolarHBondContact O-CG 3.31Å; G125-L129 PolarHBondContact O-N 3Å
126L98.9Very high98.8Very high0 Ų012.5 Ų12.50%08%0.078CC..Hα-helixtrans-62.6-44.9176.6-68175.8000111.8F93 T122 Y123 S128 L129 L130 L136 V139 I178 M181 L182F93-L126 HydrophobicContact CE2-CD2 4.32Å; T122-L126 HydrophobicContact CG2-CD1 4.31Å; T122-L126 VanDerWaalsContact O-CG 3.28Å; T122-L126 WeakPolarHBondContact O-CG 3.19Å; T122-L126 PolarHBondContact O-N 2.84Å; T122-L126 VanDerWaalsContact O-N 3.08Å; Y123-L126 PolarHBondContact O-N 3.13Å; L126-S128 VanDerWaalsContact C-N 3.31Å; L126-S128 PolarHBondContact O-N 2.82Å; L126-L129 PolarHBondContact O-N 3.34Å; L126-L130 WeakPolarHBondContact O-CG 3.18Å; L126-L130 PolarHBondContact O-N 3.46Å; L126-L136 HydrophobicContact CD2-CD1 4.42Å; L126-L136 HydrophobicContact CD2-CD2 4.27Å; L126-V139 HydrophobicContact CD2-CB 4.46Å; L126-V139 HydrophobicContact CD2-CG1 3.95Å; L126-V139 HydrophobicContact CD2-CG2 3.72Å; L126-I178 HydrophobicContact CD1-CB 4.46Å; L126-I178 HydrophobicContact CD1-CG1 4.26Å; L126-I178 HydrophobicContact CD1-CG2 4.04Å; L126-M181 HydrophobicContact CB-CE 3.54Å; L126-M181 HydrophobicContact CB-SD 3.86Å; L126-M181 HydrophobicContact CD1-CE 4.05Å; L126-M181 HydrophobicContact CG-CE 4.45Å; L126-L182 HydrophobicContact CD1-CD1 4.46Å; L126-L182 HydrophobicContact CD1-CD2 4.11Å; L126-L182 HydrophobicContact CD1-CG 4.18Å; L126-L182 HydrophobicContact CD2-CD2 4.24Å
127C98.9Very high98.8Very high0 Ų015.9 Ų15.90%010%0.102CC..Hα-helixtrans-58-44.5174-71.70000111.8F50 Y123 L129 L130 I131 I343F50-C127 HydrophobicContact CD2-CB 3.82Å; F50-C127 HydrophobicContact CE2-CB 3.69Å; Y123-C127 WeakPolarHBondContact CE2-SG 3.28Å; Y123-C127 PolarHBondContact O-N 3.3Å; Y123-C127 PolarHBondContact O-SG 3Å; C127-L129 PolarHBondContact O-N 3.39Å; C127-L130 PolarHBondContact O-N 2.66Å; C127-I131 WeakPolarHBondContact O-CB 3.31Å; C127-I131 WeakPolarHBondContact O-CD1 3.4Å; C127-I131 WeakPolarHBondContact O-CG1 3.21Å; C127-I131 PolarHBondContact O-N 3.38Å; C127-I343 HydrophobicContact CB-CG2 3.89Å
128S98.9Very high98.7Very high0 Ų019.4 Ų19.40%012%0.115CC..Hα-helixtrans-64-40.3-179.8-60.50000112.1F50 T124 G125 L126 I131 L132F50-S128 WeakPolarHBondContact CA-OG 3.4Å; F50-S128 WeakPolarHBondContact CB-OG 3.29Å; T124-S128 VanDerWaalsContact O-CB 3.27Å; T124-S128 WeakPolarHBondContact O-CB 3.21Å; T124-S128 PolarHBondContact O-N 3.33Å; T124-S128 PolarHBondContact O-OG 2.86Å; G125-S128 PolarHBondContact O-N 3.02Å; L126-S128 VanDerWaalsContact C-N 3.31Å; L126-S128 PolarHBondContact O-N 2.82Å; S128-I131 PolarHBondContact O-N 3.27Å; S128-L132 VanDerWaalsContact O-CG 3.25Å; S128-L132 WeakPolarHBondContact O-CG 3.48Å; S128-L132 PolarHBondContact O-N 3.43Å
129L98.9Very high98.7Very high0 Ų017.5 Ų17.50%011%0.107CC..Hα-helixtrans-61.3-46.4174.1-72.2171.4000111.6I71 I74 Y75 F93 G125 L126 C127 I131 L132 G133 D134 L136 V139I71-L129 HydrophobicContact CB-CD2 4.49Å; I71-L129 HydrophobicContact CG1-CD2 4.32Å; I71-L129 HydrophobicContact CG2-CD2 4.12Å; I74-L129 HydrophobicContact CB-CD2 4.12Å; I74-L129 HydrophobicContact CB-CG 4.47Å; I74-L129 HydrophobicContact CD1-CD2 4.2Å; I74-L129 HydrophobicContact CD1-CG 4.46Å; I74-L129 HydrophobicContact CG2-CD1 4.16Å; I74-L129 HydrophobicContact CG2-CD2 3.97Å; I74-L129 HydrophobicContact CG2-CG 3.8Å; Y75-L129 HydrophobicContact CD2-CD2 3.89Å; Y75-L129 HydrophobicContact CE1-CD1 3.97Å; Y75-L129 HydrophobicContact CE2-CD1 4.11Å; Y75-L129 HydrophobicContact CE2-CD2 3.49Å; Y75-L129 VanDerWaalsContact CE2-CD2 3.49Å; Y75-L129 HydrophobicContact CE2-CG 4.46Å; F93-L129 HydrophobicContact CE1-CD1 4.48Å; F93-L129 HydrophobicContact CZ-CD1 4.21Å; G125-L129 WeakPolarHBondContact O-CG 3.31Å; G125-L129 PolarHBondContact O-N 3Å; L126-L129 PolarHBondContact O-N 3.34Å; C127-L129 PolarHBondContact O-N 3.39Å; L129-I131 PolarHBondContact O-N 3.05Å; L129-L132 CarbonylContact O-C 3.55Å; L129-L132 PolarHBondContact O-N 3.47Å; L129-G133 PolarHBondContact O-N 3.04Å; L129-G133 VanDerWaalsContact O-N 3.17Å; L129-D134 HydrophobicContact CB-CB 4.12Å; L129-D134 HydrophobicContact CD2-CB 4.15Å; L129-D134 WeakPolarHBondContact O-CB 3.4Å; L129-D134 PolarHBondContact O-N 3.11Å; L129-L136 HydrophobicContact CB-CD2 3.47Å; L129-L136 VanDerWaalsContact CB-CD2 3.47Å; L129-L136 HydrophobicContact CD1-CD2 3.78Å; L129-L136 HydrophobicContact CG-CD2 4.27Å; L129-V139 HydrophobicContact CD1-CG2 4.08Å
130L98.9Very high98.7Very high0 Ų019.6 Ų19.60%012%0.118CC..Hα-helixtrans-62.6-41.3176.6-69.3169.4000112.4L126 C127 L132 G133 L136 M181 L351 L354L126-L130 WeakPolarHBondContact O-CG 3.18Å; L126-L130 PolarHBondContact O-N 3.46Å; C127-L130 PolarHBondContact O-N 2.66Å; L130-L132 VanDerWaalsContact C-N 3.28Å; L130-L132 PolarHBondContact O-N 2.94Å; L130-G133 PolarHBondContact O-N 2.99Å; L130-G133 VanDerWaalsContact O-N 3.1Å; L130-L136 HydrophobicContact CD2-CD1 3.8Å; L130-L136 HydrophobicContact CD2-CD2 4.46Å; L130-L136 HydrophobicContact CD2-CG 4.07Å; L130-L136 HydrophobicContact CG-CD1 4.11Å; L130-L136 HydrophobicContact CG-CD2 4.43Å; L130-L136 HydrophobicContact CG-CG 4.49Å; L130-M181 HydrophobicContact CD1-CB 4.4Å; L130-M181 HydrophobicContact CD1-CG 3.9Å; L130-M181 HydrophobicContact CD1-SD 3.53Å; L130-M181 VanDerWaalsContact CD1-SD 3.53Å; L130-L351 HydrophobicContact CD1-CB 4.21Å; L130-L351 HydrophobicContact CD1-CD1 4.07Å; L130-L351 HydrophobicContact CD1-CD2 4.25Å; L130-L351 HydrophobicContact CD1-CG 4.41Å; L130-L351 HydrophobicContact CD2-CB 4.12Å; L130-L351 HydrophobicContact CD2-CD1 4.1Å; L130-L354 HydrophobicContact CD2-CD1 3.81Å
131I98.9Very high98.6Very high1 Ų121.8 Ų21.81%0.00512%0.124CC..Hα-helixtrans-59.6-42.4176-72.7160.6000110.2F50 L53 D57 L62 C127 S128 L129 G133 I343 R346 A347F50-I131 HydrophobicContact CD2-CD1 4.18Å; F50-I131 HydrophobicContact CE2-CD1 4.12Å; L53-I131 HydrophobicContact CB-CG2 4.31Å; D57-I131 HydrophobicContact CB-CG2 3.84Å; L62-I131 HydrophobicContact CD1-CG2 3.88Å; L62-I131 HydrophobicContact CD2-CG2 4.05Å; C127-I131 WeakPolarHBondContact O-CB 3.31Å; C127-I131 WeakPolarHBondContact O-CD1 3.4Å; C127-I131 WeakPolarHBondContact O-CG1 3.21Å; C127-I131 PolarHBondContact O-N 3.38Å; S128-I131 PolarHBondContact O-N 3.27Å; L129-I131 PolarHBondContact O-N 3.05Å; I131-G133 PolarHBondContact O-N 2.92Å; I131-I343 HydrophobicContact CD1-CG2 4.03Å; I131-I343 HydrophobicContact CG1-CG2 4.29Å; I131-R346 PolarHBondContact O-NH2 3.3Å; I131-A347 HydrophobicContact CG1-CB 4.01Å
132L98.8Very high98.6Very high16 Ų1626.3 Ų26.38%0.08415%0.145CC..THydrogen-bonded Turntrans-76.1-3.2178.7-65.3172000114.1L53 M70 I71 I74 S128 L129 L130L53-L132 HydrophobicContact CD1-CD1 3.73Å; L53-L132 HydrophobicContact CD1-CD2 4.01Å; L53-L132 HydrophobicContact CD1-CG 3.92Å; L53-L132 HydrophobicContact CD2-CD2 4.02Å; M70-L132 HydrophobicContact CB-CD1 3.65Å; I71-L132 HydrophobicContact CD1-CB 3.98Å; I71-L132 HydrophobicContact CG1-CB 3.84Å; I71-L132 HydrophobicContact CG1-CD1 3.73Å; I71-L132 HydrophobicContact CG1-CG 4.43Å; I74-L132 HydrophobicContact CD1-CD1 3.69Å; S128-L132 VanDerWaalsContact O-CG 3.25Å; S128-L132 WeakPolarHBondContact O-CG 3.48Å; S128-L132 PolarHBondContact O-N 3.43Å; L129-L132 CarbonylContact O-C 3.55Å; L129-L132 PolarHBondContact O-N 3.47Å; L130-L132 VanDerWaalsContact C-N 3.28Å; L130-L132 PolarHBondContact O-N 2.94Å
133G98.6Very high98.5Very high40 Ų4026 Ų2641%0.41214%0.143SC..THydrogen-bonded Turntrans81.615.8178.200000114.7L129 L130 I131L129-G133 PolarHBondContact O-N 3.04Å; L129-G133 VanDerWaalsContact O-N 3.17Å; L130-G133 PolarHBondContact O-N 2.99Å; L130-G133 VanDerWaalsContact O-N 3.1Å; I131-G133 PolarHBondContact O-N 2.92Å
134D98.7Very high98.5Very high14 Ų1425.6 Ų25.68%0.07514%0.142CC..  trans-68.8151.4172.8-173-85.8000110.7I71 Y75 L129 L136 R138 H350I71-D134 HydrophobicContact CD1-CB 4.04Å; I71-D134 HydrophobicContact CG1-CB 4.32Å; Y75-D134 WeakPolarHBondContact CE2-OD2 3.31Å; Y75-D134 PolarHBondContact OH-OD1 3.23Å; L129-D134 HydrophobicContact CB-CB 4.12Å; L129-D134 HydrophobicContact CD2-CB 4.15Å; L129-D134 WeakPolarHBondContact O-CB 3.4Å; L129-D134 PolarHBondContact O-N 3.11Å; D134-L136 WeakPolarHBondContact OD1-CA 3.49Å; D134-L136 PolarHBondContact OD1-N 3.31Å; D134-R138 IonicContact OD2-CZ 3.26Å; D134-R138 IonicContact OD2-NH2 3.97Å; D134-R138 PolarHBondContact OD2-NH2 3.38Å; D134-H350 PolarHBondContact O-NE2 2.99Å
135D98.3Very high98.5Very high75 Ų7525.9 Ų25.940%0.40114%0.143SC..  trans-92.11.5-175.263.611.9000113.9S137 L354D135-S137 PolarHBondContact O-N 3.36Å; D135-S137 VanDerWaalsContact O-N 3.17Å; D135-S137 WeakPolarHBondContact OD1-CB 3.34Å; D135-S137 PolarHBondContact OD1-N 2.99Å; D135-S137 PolarHBondContact OD1-OG 3.21Å; D135-L354 HydrophobicContact CB-CD2 3.9Å
136L98.6Very high98.5Very high2 Ų227.4 Ų27.41%0.0116%0.156CC..  trans60.712.9-175.5-51-176.8000114.4L126 L129 L130 D134 R138 V139 W358L126-L136 HydrophobicContact CD2-CD1 4.42Å; L126-L136 HydrophobicContact CD2-CD2 4.27Å; L129-L136 HydrophobicContact CB-CD2 3.47Å; L129-L136 VanDerWaalsContact CB-CD2 3.47Å; L129-L136 HydrophobicContact CD1-CD2 3.78Å; L129-L136 HydrophobicContact CG-CD2 4.27Å; L130-L136 HydrophobicContact CD2-CD1 3.8Å; L130-L136 HydrophobicContact CD2-CD2 4.46Å; L130-L136 HydrophobicContact CD2-CG 4.07Å; L130-L136 HydrophobicContact CG-CD1 4.11Å; L130-L136 HydrophobicContact CG-CD2 4.43Å; L130-L136 HydrophobicContact CG-CG 4.49Å; D134-L136 WeakPolarHBondContact OD1-CA 3.49Å; D134-L136 PolarHBondContact OD1-N 3.31Å; L136-R138 PolarHBondContact O-N 2.73Å; L136-R138 VanDerWaalsContact O-N 3.16Å; L136-V139 HydrophobicContact CB-CB 4.42Å; L136-V139 HydrophobicContact CB-CG2 3.88Å; L136-V139 HydrophobicContact CD2-CG2 4.04Å; L136-V139 VanDerWaalsContact O-CB 3.29Å; L136-V139 WeakPolarHBondContact O-CB 3.44Å; L136-V139 PolarHBondContact O-N 2.87Å; L136-W358 HydrophobicContact CB-CZ2 4.3Å; L136-W358 HydrophobicContact CD1-CH2 4.19Å
137S97.4Very high98.5Very high87 Ų8727.5 Ų27.561%0.60816%0.157SC*.THydrogen-bonded Turntrans-61.7-26.3-177.160.20000113.8D135D135-S137 PolarHBondContact O-N 3.36Å; D135-S137 VanDerWaalsContact O-N 3.17Å; D135-S137 WeakPolarHBondContact OD1-CB 3.34Å; D135-S137 PolarHBondContact OD1-N 2.99Å; D135-S137 PolarHBondContact OD1-OG 3.21Å
138R98.1Very high98.5Very high76 Ų7627.8 Ų27.829%0.28716%0.158SC..THydrogen-bonded Turntrans-92-0.8176.6-61.5174-70.6-180-12.6113.5E72 Y75 Q78 D134 L136 N140E72-R138 IonicContact OE1-CZ 3.35Å; E72-R138 IonicContact OE1-NH1 3.2Å; E72-R138 PolarHBondContact OE1-NH1 2.95Å; E72-R138 IonicContact OE1-NH2 2.65Å; E72-R138 IonicContact OE2-NH1 2.95Å; Y75-R138 HydrophobicContact CD1-CB 4.07Å; Y75-R138 VanDerWaalsContact CD2-NH2 3.35Å; Y75-R138 HydrophobicContact CE1-CB 3.52Å; Y75-R138 HydrophobicContact CE2-CB 4.23Å; Q78-R138 PolarHBondContact NE2-O 3.38Å; D134-R138 IonicContact OD2-CZ 3.26Å; D134-R138 IonicContact OD2-NH2 3.97Å; D134-R138 PolarHBondContact OD2-NH2 3.38Å; L136-R138 PolarHBondContact O-N 2.73Å; L136-R138 VanDerWaalsContact O-N 3.16Å; R138-N140 PolarHBondContact O-N 3.45Å
139V98.5Very high98.5Very high9 Ų934.2 Ų34.26%0.05519%0.186CC..SBendtrans-73.5121.9171.21790000107.9Y75 F93 L126 L129 L136 K141 V144 L182Y75-V139 HydrophobicContact CE1-CG2 3.95Å; F93-V139 HydrophobicContact CZ-CG2 4.47Å; L126-V139 HydrophobicContact CD2-CB 4.46Å; L126-V139 HydrophobicContact CD2-CG1 3.95Å; L126-V139 HydrophobicContact CD2-CG2 3.72Å; L129-V139 HydrophobicContact CD1-CG2 4.08Å; L136-V139 HydrophobicContact CB-CB 4.42Å; L136-V139 HydrophobicContact CB-CG2 3.88Å; L136-V139 HydrophobicContact CD2-CG2 4.04Å; L136-V139 VanDerWaalsContact O-CB 3.29Å; L136-V139 WeakPolarHBondContact O-CB 3.44Å; L136-V139 PolarHBondContact O-N 2.87Å; V139-K141 VanDerWaalsContact C-N 3.29Å; V139-K141 PolarHBondContact O-N 3.1Å; V139-V144 HydrophobicContact CG1-CG2 3.98Å; V139-L182 HydrophobicContact CG1-CD2 4.33Å
140N98.3Very high98.4Very high45 Ų4537.6 Ų37.624%0.24121%0.207CC..  trans-7686171.1-167.5-55.4000109L80 P81 R138 E142 A143 V144L80-N140 HydrophobicContact CD2-CB 4.04Å; P81-N140 WeakPolarHBondContact CG-ND2 3.35Å; R138-N140 PolarHBondContact O-N 3.45Å; N140-E142 VanDerWaalsContact C-N 3.27Å; N140-E142 PolarHBondContact O-N 3.23Å; N140-A143 HydrophobicContact CB-CB 4.12Å; N140-A143 PolarHBondContact O-N 3.47Å; N140-A143 VanDerWaalsContact OD1-CB 3.27Å; N140-A143 WeakPolarHBondContact OD1-CB 3.34Å; N140-A143 PolarHBondContact OD1-N 2.97Å; N140-V144 WeakPolarHBondContact O-CG2 3.26Å; N140-V144 PolarHBondContact O-N 3.3Å
141K98Very high98.4Very high64 Ų6438 Ų3828%0.27821%0.209SC..Hα-helixtrans-56.1-41.2-177.3-62.5-169.2177.7-169.30112.2V139 A143 V144 L145 L182 W358V139-K141 VanDerWaalsContact C-N 3.29Å; V139-K141 PolarHBondContact O-N 3.1Å; K141-A143 PolarHBondContact O-N 3.11Å; K141-V144 PolarHBondContact O-N 2.93Å; K141-L145 WeakPolarHBondContact O-CB 3.14Å; K141-L145 VanDerWaalsContact O-CG 3.26Å; K141-L145 WeakPolarHBondContact O-CG 3.46Å; K141-L145 PolarHBondContact O-N 3.22Å; K141-L182 HydrophobicContact CD-CD2 4.48Å; K141-L182 HydrophobicContact CG-CD2 4.22Å; K141-L182 PolarHBondContact NZ-O 3.13Å; K141-W358 VanDerWaalsContact NZ-CH2 3.29Å
142E97.6Very high98.4Very high99 Ų9939.5 Ų39.546%0.46322%0.216SC..Hα-helixtrans-56.4-51.3177.1-175.7-169.1167.400111.2K85 L88 N140 L145 A146K85-E142 VanDerWaalsContact NZ-CD 3.32Å; K85-E142 IonicContact NZ-OE1 2.9Å; K85-E142 PolarHBondContact NZ-OE1 3.34Å; K85-E142 IonicContact NZ-OE2 2.89Å; K85-E142 PolarHBondContact NZ-OE2 3.46Å; L88-E142 HydrophobicContact CD2-CG 4.44Å; N140-E142 VanDerWaalsContact C-N 3.27Å; N140-E142 PolarHBondContact O-N 3.23Å; E142-L145 PolarHBondContact O-N 2.96Å; E142-A146 WeakPolarHBondContact O-CB 3.23Å; E142-A146 PolarHBondContact O-N 3.04Å
143A98Very high98.4Very high1 Ų140.8 Ų40.81%0.00822%0.222CC..Hα-helixtrans-67.6-39.4-179.900000112.3P81 L88 G91 N140 K141 G147P81-A143 HydrophobicContact CG-CB 4.37Å; L88-A143 HydrophobicContact CD2-CB 4.01Å; G91-A143 WeakPolarHBondContact CA-O 3.36Å; N140-A143 HydrophobicContact CB-CB 4.12Å; N140-A143 PolarHBondContact O-N 3.47Å; N140-A143 VanDerWaalsContact OD1-CB 3.27Å; N140-A143 WeakPolarHBondContact OD1-CB 3.34Å; N140-A143 PolarHBondContact OD1-N 2.97Å; K141-A143 PolarHBondContact O-N 3.11Å; A143-G147 PolarHBondContact O-N 3.14Å
144V98.8Very high98.4Very high3 Ų347.2 Ų47.22%0.01824%0.242CC..Hα-helixtrans-61.9-47176.7170.60000111.1T122 V139 N140 K141 G147 L148 I178 L182T122-V144 HydrophobicContact CG2-CG1 3.65Å; T122-V144 HydrophobicContact CG2-CG2 4.49Å; V139-V144 HydrophobicContact CG1-CG2 3.98Å; N140-V144 WeakPolarHBondContact O-CG2 3.26Å; N140-V144 PolarHBondContact O-N 3.3Å; K141-V144 PolarHBondContact O-N 2.93Å; V144-G147 PolarHBondContact O-N 3.08Å; V144-L148 WeakPolarHBondContact O-CB 3.47Å; V144-L148 PolarHBondContact O-N 3.13Å; V144-I178 HydrophobicContact CG1-CG2 3.71Å; V144-L182 HydrophobicContact CB-CD1 4.15Å; V144-L182 HydrophobicContact CG1-CD1 3.68Å
145L98.8Very high98.4Very high11 Ų1150 Ų506%0.05826%0.257CS..Hα-helixtrans-72.1-37-178.6-64.9168.5000112K141 E142 L148 K149 L182 D184K141-L145 WeakPolarHBondContact O-CB 3.14Å; K141-L145 VanDerWaalsContact O-CG 3.26Å; K141-L145 WeakPolarHBondContact O-CG 3.46Å; K141-L145 PolarHBondContact O-N 3.22Å; E142-L145 PolarHBondContact O-N 2.96Å; L145-L148 PolarHBondContact O-N 2.88Å; L145-K149 WeakPolarHBondContact O-CB 3.3Å; L145-K149 PolarHBondContact O-N 3.49Å; L145-L182 HydrophobicContact CD2-CD1 4.17Å; L145-L182 HydrophobicContact CG-CD1 4.23Å; L145-D184 HydrophobicContact CD1-CB 3.81Å; L145-D184 VanDerWaalsContact CD1-OD2 3.27Å; L145-D184 WeakPolarHBondContact CD1-OD2 3.48Å
146A98.7Very high98.4Very high32 Ų3246.4 Ų46.426%0.26424%0.238SC..Hα-helixtrans-64.2-42.8173.500000112L88 E142 K149 V150L88-A146 HydrophobicContact CB-CB 4.2Å; E142-A146 WeakPolarHBondContact O-CB 3.23Å; E142-A146 PolarHBondContact O-N 3.04Å; A146-K149 PolarHBondContact O-N 3.21Å; A146-V150 PolarHBondContact O-N 3.3Å
147G98.6Very high98.4Very high3 Ų346.3 Ų46.33%0.03124%0.237CC..Hα-helixtrans-61.7-45.8172.400000111.8L88 A143 V144 K149 V150 L151L88-G147 PolarHBondContact O-N 2.73Å; A143-G147 PolarHBondContact O-N 3.14Å; V144-G147 PolarHBondContact O-N 3.08Å; G147-K149 VanDerWaalsContact C-N 3.32Å; G147-K149 PolarHBondContact O-N 2.87Å; G147-V150 WeakPolarHBondContact O-CG2 3.26Å; G147-V150 PolarHBondContact O-N 3.49Å; G147-L151 WeakPolarHBondContact O-CG 3.45Å
148L98.8Very high98.4Very high5 Ų542.2 Ų42.23%0.02621%0.208CC..Hα-helixtrans-60.5-42178.7-169.164.1000112.4V119 V144 L145 V150 L151 F158 A175 I178 G187V119-L148 HydrophobicContact CG2-CD1 3.58Å; V144-L148 WeakPolarHBondContact O-CB 3.47Å; V144-L148 PolarHBondContact O-N 3.13Å; L145-L148 PolarHBondContact O-N 2.88Å; L148-V150 VanDerWaalsContact C-N 3.31Å; L148-V150 PolarHBondContact O-N 3.03Å; L148-L151 WeakPolarHBondContact O-CB 3.26Å; L148-L151 PolarHBondContact O-N 3.16Å; L148-L151 VanDerWaalsContact O-N 3.11Å; L148-F158 HydrophobicContact CD1-CD1 4.38Å; L148-F158 HydrophobicContact CD1-CE1 4.24Å; L148-F158 HydrophobicContact CG-CE1 4.21Å; L148-A175 HydrophobicContact CD1-CB 3.73Å; L148-A175 HydrophobicContact CD2-CB 4.16Å; L148-A175 HydrophobicContact CG-CB 4.25Å; L148-I178 HydrophobicContact CD1-CD1 4.1Å; L148-I178 HydrophobicContact CD2-CB 4.22Å; L148-I178 HydrophobicContact CD2-CG2 4.05Å; L148-G187 CarbonylContact C-O 3.52Å
149K98.6Very high98.5Very high135 Ų13542.3 Ų42.359%0.58721%0.209SC*.Hα-helixtrans-61.5-36.6-176.9-172.5170.9-175.2169.60113.3L145 A146 G147 L151 G187L145-K149 WeakPolarHBondContact O-CB 3.3Å; L145-K149 PolarHBondContact O-N 3.49Å; A146-K149 PolarHBondContact O-N 3.21Å; G147-K149 VanDerWaalsContact C-N 3.32Å; G147-K149 PolarHBondContact O-N 2.87Å; K149-L151 VanDerWaalsContact C-N 3.28Å; K149-L151 PolarHBondContact O-N 3.36Å; K149-G187 VanDerWaalsContact CA-O 3.28Å; K149-G187 WeakPolarHBondContact CA-O 3.45Å; K149-G187 PolarHBondContact N-O 2.84Å
150V98.4Very high98.5Very high72 Ų7242 Ų4244%0.43621%0.208SC..Hα-helixtrans-78.5-13.8179.6-58.80000113.5N89 A146 G147 L148 Q152 P162N89-V150 HydrophobicContact CB-CB 4.44Å; N89-V150 HydrophobicContact CB-CG1 3.8Å; N89-V150 HydrophobicContact CB-CG2 3.95Å; N89-V150 WeakPolarHBondContact O-CG2 3.44Å; A146-V150 PolarHBondContact O-N 3.3Å; G147-V150 WeakPolarHBondContact O-CG2 3.26Å; G147-V150 PolarHBondContact O-N 3.49Å; L148-V150 VanDerWaalsContact C-N 3.31Å; L148-V150 PolarHBondContact O-N 3.03Å; V150-Q152 VanDerWaalsContact C-N 3.34Å; V150-P162 HydrophobicContact CG2-CB 4.38Å
151L98.9Very high98.5Very high8 Ų841.3 Ų41.34%0.04221%0.205CC..Hα-helixtrans-77.6-23.4175.4-62.8-179.3000112V119 G147 L148 K149 F158 Y159 P162V119-L151 HydrophobicContact CB-CD1 3.78Å; V119-L151 HydrophobicContact CG2-CD1 4.23Å; G147-L151 WeakPolarHBondContact O-CG 3.45Å; L148-L151 WeakPolarHBondContact O-CB 3.26Å; L148-L151 PolarHBondContact O-N 3.16Å; L148-L151 VanDerWaalsContact O-N 3.11Å; K149-L151 VanDerWaalsContact C-N 3.28Å; K149-L151 PolarHBondContact O-N 3.36Å; L151-F158 HydrophobicContact CB-CD1 3.87Å; L151-F158 CarbonylContact O-C 3.6Å; L151-F158 VanDerWaalsContact O-CA 3.26Å; L151-F158 WeakPolarHBondContact O-CA 3.25Å; L151-Y159 PolarHBondContact O-N 3.33Å; L151-P162 HydrophobicContact CD2-CB 4.36Å
152Q98.8Very high98.5Very high32 Ų3240.4 Ų40.415%0.1521%0.206CC..BIsolated β-bridgetrans-72.8129.1177.3-161.4173.622.900110.8V150 G156 S157 F158 D189V150-Q152 VanDerWaalsContact C-N 3.34Å; Q152-G156 PolarHBondContact NE2-O 3.27Å; Q152-G156 VanDerWaalsContact NE2-O 3.15Å; Q152-S157 WeakPolarHBondContact CA-O 3.27Å; Q152-F158 HydrophobicContact CB-CD1 3.98Å; Q152-F158 HydrophobicContact CB-CD2 4.43Å; Q152-F158 HydrophobicContact CB-CE1 3.54Å; Q152-F158 HydrophobicContact CB-CE2 4.04Å; Q152-F158 HydrophobicContact CB-CG 4.39Å; Q152-F158 HydrophobicContact CB-CZ 3.55Å; Q152-F158 HydrophobicContact CG-CD2 4.1Å; Q152-F158 HydrophobicContact CG-CE1 4.06Å; Q152-F158 HydrophobicContact CG-CE2 3.58Å; Q152-F158 HydrophobicContact CG-CZ 3.54Å; Q152-D189 PolarHBondContact NE2-O 2.85Å
153I98.4Very high98.5Very high43 Ų4340.2 Ų40.222%0.22121%0.205CC..  trans-102.3176.5178.767.2169.1000111.6D155 G156 S157 Y159 N167I153-D155 VanDerWaalsContact C-N 3.26Å; I153-D155 VanDerWaalsContact CG1-OD1 3.23Å; I153-D155 WeakPolarHBondContact CG1-OD1 3.43Å; I153-D155 PolarHBondContact O-N 3.31Å; I153-G156 PolarHBondContact O-N 3.21Å; I153-S157 WeakPolarHBondContact CG1-O 3.49Å; I153-S157 PolarHBondContact N-O 3.35Å; I153-Y159 HydrophobicContact CG2-CD2 3.61Å; I153-Y159 HydrophobicContact CG2-CE2 3.46Å; I153-Y159 VanDerWaalsContact CG2-CE2 3.46Å; I153-Y159 HydrophobicContact CG2-CG 4.28Å; I153-N167 HydrophobicContact CD1-CB 4.14Å; I153-N167 WeakPolarHBondContact CD1-ND2 3.44Å
154E98.1Very high98.5Very high175 Ų17542 Ų4282%0.81822%0.223SC*.THydrogen-bonded Turntrans-55.5-38.7-170.6-173.8176.3-173.700113.8G156 K192E154-G156 PolarHBondContact O-N 3.07Å; E154-K192 PolarHBondContact O-NZ 2.83Å
155D97.8Very high98.5Very high73 Ų7343.7 Ų43.739%0.3924%0.235SC..THydrogen-bonded Turntrans-75.8-4.7-178.575.25.5000114.3I153 S157 Y196I153-D155 VanDerWaalsContact C-N 3.26Å; I153-D155 VanDerWaalsContact CG1-OD1 3.23Å; I153-D155 WeakPolarHBondContact CG1-OD1 3.43Å; I153-D155 PolarHBondContact O-N 3.31Å; D155-S157 VanDerWaalsContact OD1-CB 3.31Å; D155-S157 WeakPolarHBondContact OD1-CB 3.22Å; D155-S157 PolarHBondContact OD1-N 2.92Å; D155-S157 PolarHBondContact OD1-OG 3.02Å; D155-S157 PolarHBondContact OD2-OG 3.22Å; D155-Y196 HydrophobicContact CB-CD2 4.23Å; D155-Y196 WeakPolarHBondContact O-CB 3.39Å; D155-Y196 WeakPolarHBondContact O-CD2 3.47Å; D155-Y196 WeakPolarHBondContact OD2-CE2 3.47Å
156G98.6Very high98.5Very high0 Ų047.6 Ų47.60%025%0.253CS..SBendtrans94.2-12.117900000115.7Q152 I153 E154Q152-G156 PolarHBondContact NE2-O 3.27Å; Q152-G156 VanDerWaalsContact NE2-O 3.15Å; I153-G156 PolarHBondContact O-N 3.21Å; E154-G156 PolarHBondContact O-N 3.07Å
157S98.6Very high98.5Very high0 Ų048.4 Ų48.40%025%0.253CS..  trans-76.4176.3170.468.70000112.3Q152 I153 D155 N167 Y196Q152-S157 WeakPolarHBondContact CA-O 3.27Å; I153-S157 WeakPolarHBondContact CG1-O 3.49Å; I153-S157 PolarHBondContact N-O 3.35Å; D155-S157 VanDerWaalsContact OD1-CB 3.31Å; D155-S157 WeakPolarHBondContact OD1-CB 3.22Å; D155-S157 PolarHBondContact OD1-N 2.92Å; D155-S157 PolarHBondContact OD1-OG 3.02Å; D155-S157 PolarHBondContact OD2-OG 3.22Å; S157-N167 PolarHBondContact OG-ND2 3.28Å; S157-Y196 VanDerWaalsContact CB-CE2 3.43Å
158F98.9Very high98.5Very high0 Ų048.2 Ų48.20%025%0.252CS..BIsolated β-bridgetrans-125.2143.2-174.2-74.6-108000110.6L148 L151 Q152 N167 F171 I172 A175 M188L148-F158 HydrophobicContact CD1-CD1 4.38Å; L148-F158 HydrophobicContact CD1-CE1 4.24Å; L148-F158 HydrophobicContact CG-CE1 4.21Å; L151-F158 HydrophobicContact CB-CD1 3.87Å; L151-F158 CarbonylContact O-C 3.6Å; L151-F158 VanDerWaalsContact O-CA 3.26Å; L151-F158 WeakPolarHBondContact O-CA 3.25Å; Q152-F158 HydrophobicContact CB-CD1 3.98Å; Q152-F158 HydrophobicContact CB-CD2 4.43Å; Q152-F158 HydrophobicContact CB-CE1 3.54Å; Q152-F158 HydrophobicContact CB-CE2 4.04Å; Q152-F158 HydrophobicContact CB-CG 4.39Å; Q152-F158 HydrophobicContact CB-CZ 3.55Å; Q152-F158 HydrophobicContact CG-CD2 4.1Å; Q152-F158 HydrophobicContact CG-CE1 4.06Å; Q152-F158 HydrophobicContact CG-CE2 3.58Å; Q152-F158 HydrophobicContact CG-CZ 3.54Å; F158-N167 VanDerWaalsContact O-CA 3.28Å; F158-N167 WeakPolarHBondContact O-CA 3.28Å; F158-N167 VanDerWaalsContact O-CB 3.31Å; F158-N167 WeakPolarHBondContact O-CB 3.15Å; F158-F171 HydrophobicContact CB-CB 3.6Å; F158-F171 VanDerWaalsContact O-CD2 3.27Å; F158-F171 WeakPolarHBondContact O-CD2 3.38Å; F158-I172 HydrophobicContact CD2-CG1 3.94Å; F158-I172 HydrophobicContact CE2-CG1 4.49Å; F158-A175 HydrophobicContact CD1-CB 3.99Å; F158-A175 HydrophobicContact CD2-CB 4.31Å; F158-A175 HydrophobicContact CE1-CB 3.77Å; F158-A175 HydrophobicContact CE2-CB 4.12Å; F158-A175 HydrophobicContact CG-CB 4.27Å; F158-A175 HydrophobicContact CZ-CB 3.85Å; F158-M188 HydrophobicContact CE1-CB 4.42Å; F158-M188 HydrophobicContact CZ-CB 3.63Å
159Y98.8Very high98.4Very high78 Ų7848 Ų4831%0.30625%0.25SS..BIsolated β-bridgetrans-75.6165.6156.4-70.6-44.2000111.1L151 I153 S165 N167L151-Y159 PolarHBondContact O-N 3.33Å; I153-Y159 HydrophobicContact CG2-CD2 3.61Å; I153-Y159 HydrophobicContact CG2-CE2 3.46Å; I153-Y159 VanDerWaalsContact CG2-CE2 3.46Å; I153-Y159 HydrophobicContact CG2-CG 4.28Å; Y159-S165 WeakPolarHBondContact CD1-O 3.48Å; Y159-S165 WeakPolarHBondContact CE1-O 3.44Å; Y159-N167 HydrophobicContact CD1-CB 3.83Å; Y159-N167 HydrophobicContact CE1-CB 3.91Å
160A98.8Very high98.4Very high3 Ų345.2 Ų45.23%0.02524%0.236CC..SBendtrans-81.7-36.3175.800000112.6H118 V119 S165 F171H118-A160 CarbonylContact C-O 3.52Å; H118-A160 WeakPolarHBondContact CA-O 3.31Å; V119-A160 PolarHBondContact N-O 3.03Å; A160-S165 WeakPolarHBondContact CB-OG 3.38Å; A160-S165 PolarHBondContact N-OG 2.84Å; A160-F171 HydrophobicContact CB-CD1 4.38Å; A160-F171 HydrophobicContact CB-CD2 4.34Å; A160-F171 HydrophobicContact CB-CE1 3.85Å; A160-F171 HydrophobicContact CB-CE2 3.8Å; A160-F171 HydrophobicContact CB-CZ 3.54Å
161V98.8Very high98.5Very high30 Ų3042.1 Ų42.118%0.18222%0.217CC..SBendtrans-140.4151.5-173.7-640000110.3H118 E163 G164H118-V161 HydrophobicContact CB-CG1 3.9Å; V161-E163 HydrophobicContact CG2-CB 4.41Å; V161-E163 PolarHBondContact O-N 3.26Å; V161-G164 PolarHBondContact O-N 3.27Å; V161-G164 VanDerWaalsContact O-N 3.12Å
162P98.1Very high98.5Very high45 Ų4541.8 Ų41.829%0.29222%0.215SC..THydrogen-bonded Turntrans-68.7-18-176.326.6-34.3000113.6R90 V150 L151 G164R90-P162 HydrophobicContact CB-CG 4.4Å; R90-P162 HydrophobicContact CG-CG 4.03Å; V150-P162 HydrophobicContact CG2-CB 4.38Å; L151-P162 HydrophobicContact CD2-CB 4.36Å; P162-G164 PolarHBondContact O-N 2.92Å
163E98Very high98.5Very high95 Ų9540.6 Ų40.644%0.44421%0.209SC..THydrogen-bonded Turntrans-72.3-13.1174.2-64.672.3-156.800113.2R90 S116 V161R90-E163 IonicContact CZ-OE1 3.18Å; R90-E163 IonicContact NE-OE1 2.9Å; R90-E163 PolarHBondContact NE-OE1 2.76Å; R90-E163 IonicContact NH2-OE1 2.94Å; R90-E163 PolarHBondContact NH2-OE1 2.92Å; S116-E163 WeakPolarHBondContact CB-OE1 3.4Å; S116-E163 VanDerWaalsContact OG-CD 3.28Å; S116-E163 PolarHBondContact OG-OE1 2.89Å; S116-E163 PolarHBondContact OG-OE2 3.12Å; V161-E163 HydrophobicContact CG2-CB 4.41Å; V161-E163 PolarHBondContact O-N 3.26Å
164G97.5Very high98.5Very high39 Ų3939 Ų3940%0.40220%0.202SC..  trans102.6144.6-176.500000113.2V161 P162V161-G164 PolarHBondContact O-N 3.27Å; V161-G164 VanDerWaalsContact O-N 3.12Å; P162-G164 PolarHBondContact O-N 2.92Å
165S98.6Very high98.5Very high38 Ų3830.7 Ų30.727%0.26616%0.163SC..  trans-156.5-166.4177.666.70000110Y159 A160Y159-S165 WeakPolarHBondContact CD1-O 3.48Å; Y159-S165 WeakPolarHBondContact CE1-O 3.44Å; A160-S165 WeakPolarHBondContact CB-OG 3.38Å; A160-S165 PolarHBondContact N-OG 2.84Å
166E98.4Very high98.6Very high94 Ų9427.2 Ų27.244%0.43914%0.144SC..  trans-67.3160.4158.381.4-73.4-167.900111.4R170 F171E166-R170 IonicContact OE1-CZ 3.02Å; E166-R170 IonicContact OE1-NH1 2.68Å; E166-R170 PolarHBondContact OE1-NH1 3.37Å; E166-R170 IonicContact OE1-NH2 3.9Å; E166-R170 PolarHBondContact OE1-NH2 2.56Å; E166-F171 HydrophobicContact CG-CE2 4.09Å; E166-F171 WeakPolarHBondContact O-CE2 3.41Å; E166-F171 WeakPolarHBondContact OE1-CZ 3.35Å
167N98.4Very high98.6Very high48 Ų4827.2 Ų27.226%0.25714%0.144SC..BIsolated β-bridgetrans-131.5132176.861.6-69.8000110.7I153 S157 F158 Y159I153-N167 HydrophobicContact CD1-CB 4.14Å; I153-N167 WeakPolarHBondContact CD1-ND2 3.44Å; S157-N167 PolarHBondContact OG-ND2 3.28Å; F158-N167 VanDerWaalsContact O-CA 3.28Å; F158-N167 WeakPolarHBondContact O-CA 3.28Å; F158-N167 VanDerWaalsContact O-CB 3.31Å; F158-N167 WeakPolarHBondContact O-CB 3.15Å; Y159-N167 HydrophobicContact CD1-CB 3.83Å; Y159-N167 HydrophobicContact CE1-CB 3.91Å
168D98.3Very high98.6Very high0 Ų027.2 Ų27.20%014%0.144CC..SBendtrans-167.3-177.5175.360.260.9000112.9R170 F171 Q209D168-R170 PolarHBondContact O-N 3.21Å; D168-R170 VanDerWaalsContact O-N 3.1Å; D168-R170 WeakPolarHBondContact OD1-CB 3.46Å; D168-R170 WeakPolarHBondContact OD1-CG 3.39Å; D168-R170 IonicContact OD1-CZ 3.77Å; D168-R170 PolarHBondContact OD1-N 3.44Å; D168-R170 IonicContact OD1-NE 2.56Å; D168-R170 PolarHBondContact OD1-NE 3.1Å; D168-R170 IonicContact OD1-NH2 3.32Å; D168-R170 IonicContact OD2-CZ 3.31Å; D168-R170 VanDerWaalsContact OD2-CZ 3.28Å; D168-R170 IonicContact OD2-NE 3.86Å; D168-R170 PolarHBondContact OD2-NE 3.48Å; D168-R170 VanDerWaalsContact OD2-NE 3.09Å; D168-R170 IonicContact OD2-NH2 3.87Å; D168-R170 PolarHBondContact OD2-NH2 3.32Å; D168-F171 PolarHBondContact O-N 3.27Å; D168-F171 VanDerWaalsContact O-N 3.11Å; D168-Q209 HydrophobicContact CB-CG 3.3Å; D168-Q209 WeakPolarHBondContact CB-O 3.16Å; D168-Q209 PolarHBondContact OD2-NE2 2.74Å
169I98.1Very high98.6Very high0 Ų027.2 Ų27.20%014%0.144CC..Hα-helixtrans-57.5-24.1-176.9-57.2-175000113.4F171 I172 Y173 Y196 F207 G208 C222 A223I169-F171 PolarHBondContact O-N 3.26Å; I169-I172 PolarHBondContact O-N 3.16Å; I169-Y173 PolarHBondContact O-N 3.39Å; I169-Y196 HydrophobicContact CG1-CD1 4.2Å; I169-Y196 HydrophobicContact CG1-CE1 3.85Å; I169-F207 HydrophobicContact CD1-CB 4.26Å; I169-G208 WeakPolarHBondContact CD1-O 3.18Å; I169-C222 HydrophobicContact CB-CB 4.43Å; I169-C222 HydrophobicContact CG2-CB 3.51Å; I169-A223 HydrophobicContact CD1-CB 4.32Å; I169-A223 HydrophobicContact CG2-CB 4.16Å
170R98.8Very high98.6Very high77 Ų7726 Ų2629%0.29114%0.139SC..Hα-helixtrans-55.2-43.3175.6-68.6176-72.5154.53.6111.4E166 D168 Y173 C174 W219E166-R170 IonicContact OE1-CZ 3.02Å; E166-R170 IonicContact OE1-NH1 2.68Å; E166-R170 PolarHBondContact OE1-NH1 3.37Å; E166-R170 IonicContact OE1-NH2 3.9Å; E166-R170 PolarHBondContact OE1-NH2 2.56Å; D168-R170 PolarHBondContact O-N 3.21Å; D168-R170 VanDerWaalsContact O-N 3.1Å; D168-R170 WeakPolarHBondContact OD1-CB 3.46Å; D168-R170 WeakPolarHBondContact OD1-CG 3.39Å; D168-R170 IonicContact OD1-CZ 3.77Å; D168-R170 PolarHBondContact OD1-N 3.44Å; D168-R170 IonicContact OD1-NE 2.56Å; D168-R170 PolarHBondContact OD1-NE 3.1Å; D168-R170 IonicContact OD1-NH2 3.32Å; D168-R170 IonicContact OD2-CZ 3.31Å; D168-R170 VanDerWaalsContact OD2-CZ 3.28Å; D168-R170 IonicContact OD2-NE 3.86Å; D168-R170 PolarHBondContact OD2-NE 3.48Å; D168-R170 VanDerWaalsContact OD2-NE 3.09Å; D168-R170 IonicContact OD2-NH2 3.87Å; D168-R170 PolarHBondContact OD2-NH2 3.32Å; R170-Y173 PolarHBondContact O-N 3.22Å; R170-C174 PolarHBondContact O-N 2.85Å; R170-C174 PolarHBondContact O-SG 2.59Å; R170-W219 VanDerWaalsContact CD-CZ3 3.43Å; R170-W219 HydrophobicContact CG-CE3 3.92Å; R170-W219 HydrophobicContact CG-CH2 3.95Å; R170-W219 HydrophobicContact CG-CZ3 3.21Å
171F98.9Very high98.6Very high7 Ų725.9 Ų25.93%0.03114%0.138CC..Hα-helixtrans-80.6-25-174.8-56.5-39.8000111.7V119 F158 A160 E166 D168 I169 C174 A175V119-F171 HydrophobicContact CG1-CB 3.99Å; V119-F171 HydrophobicContact CG1-CD1 3.4Å; V119-F171 VanDerWaalsContact CG1-CD1 3.4Å; V119-F171 HydrophobicContact CG1-CE1 4.15Å; V119-F171 HydrophobicContact CG1-CG 3.89Å; F158-F171 HydrophobicContact CB-CB 3.6Å; F158-F171 VanDerWaalsContact O-CD2 3.27Å; F158-F171 WeakPolarHBondContact O-CD2 3.38Å; A160-F171 HydrophobicContact CB-CD1 4.38Å; A160-F171 HydrophobicContact CB-CD2 4.34Å; A160-F171 HydrophobicContact CB-CE1 3.85Å; A160-F171 HydrophobicContact CB-CE2 3.8Å; A160-F171 HydrophobicContact CB-CZ 3.54Å; E166-F171 HydrophobicContact CG-CE2 4.09Å; E166-F171 WeakPolarHBondContact O-CE2 3.41Å; E166-F171 WeakPolarHBondContact OE1-CZ 3.35Å; D168-F171 PolarHBondContact O-N 3.27Å; D168-F171 VanDerWaalsContact O-N 3.11Å; I169-F171 PolarHBondContact O-N 3.26Å; F171-C174 PolarHBondContact O-N 3.4Å; F171-A175 VanDerWaalsContact O-CB 3.27Å; F171-A175 WeakPolarHBondContact O-CB 3.5Å; F171-A175 PolarHBondContact O-N 3.14Å
172I98.9Very high98.6Very high0 Ų024.6 Ų24.60%013%0.13CC..Hα-helixtrans-62.8-45165.8-60.1175.4000110.5F158 I169 C174 A175 A176 A193 Y196 I197 M230F158-I172 HydrophobicContact CD2-CG1 3.94Å; F158-I172 HydrophobicContact CE2-CG1 4.49Å; I169-I172 PolarHBondContact O-N 3.16Å; I172-C174 PolarHBondContact O-N 2.83Å; I172-A175 PolarHBondContact O-N 2.85Å; I172-A176 WeakPolarHBondContact O-CB 3.49Å; I172-A176 PolarHBondContact O-N 2.76Å; I172-A193 HydrophobicContact CG2-CB 4.22Å; I172-Y196 HydrophobicContact CD1-CD1 3.36Å; I172-Y196 HydrophobicContact CD1-CE1 4.08Å; I172-Y196 HydrophobicContact CD1-CG 3.95Å; I172-I197 HydrophobicContact CD1-CG1 4.21Å; I172-I197 HydrophobicContact CG2-CD1 3.91Å; I172-I197 HydrophobicContact CG2-CG1 4.34Å; I172-M230 HydrophobicContact CG2-CE 4.36Å
173Y98.9Very high98.6Very high8 Ų824.9 Ų24.93%0.03113%0.129CC..Hα-helixtrans-62.2-43.6176.7171.4-104.5000112.9Y123 I169 R170 A175 A176 S177 Y221 C222 A225 S226 L229 A340Y123-Y173 HydrophobicContact CE1-CE1 4.08Å; Y123-Y173 HydrophobicContact CE2-CE1 4.45Å; Y123-Y173 AromaticContact CZ-CE1 3.9Å; Y123-Y173 PolarHBondContact OH-OH 2.63Å; I169-Y173 PolarHBondContact O-N 3.39Å; R170-Y173 PolarHBondContact O-N 3.22Å; Y173-A175 VanDerWaalsContact C-N 3.35Å; Y173-A175 PolarHBondContact O-N 2.81Å; Y173-A176 PolarHBondContact O-N 2.86Å; Y173-S177 WeakPolarHBondContact O-CB 3.46Å; Y173-S177 PolarHBondContact O-N 3.46Å; Y173-S177 PolarHBondContact O-OG 3.48Å; Y173-Y221 HydrophobicContact CD2-CE1 4.42Å; Y173-Y221 HydrophobicContact CE1-CE1 4.2Å; Y173-Y221 AromaticContact CE2-CE1 3.92Å; Y173-Y221 HydrophobicContact CE2-CE1 3.92Å; Y173-Y221 AromaticContact CZ-CE1 3.79Å; Y173-Y221 PolarHBondContact OH-OH 3.05Å; Y173-C222 HydrophobicContact CG-CB 4.32Å; Y173-A225 HydrophobicContact CD2-CB 3.9Å; Y173-A225 HydrophobicContact CE2-CB 3.69Å; Y173-S226 WeakPolarHBondContact CA-OG 3.17Å; Y173-S226 PolarHBondContact N-OG 3.48Å; Y173-L229 HydrophobicContact CE2-CD1 4.21Å; Y173-A340 WeakPolarHBondContact CE2-O 3.42Å; Y173-A340 PolarHBondContact OH-O 2.94Å
174C98.9Very high98.7Very high9 Ų923.3 Ų23.36%0.06112%0.124CC..Hα-helixtrans-60.7-46.5175-62.60000110.7V119 R170 F171 I172 S177 I178V119-C174 HydrophobicContact CB-CB 4.44Å; V119-C174 HydrophobicContact CG1-CB 4.14Å; V119-C174 HydrophobicContact CG2-CB 3.74Å; R170-C174 PolarHBondContact O-N 2.85Å; R170-C174 PolarHBondContact O-SG 2.59Å; F171-C174 PolarHBondContact O-N 3.4Å; I172-C174 PolarHBondContact O-N 2.83Å; C174-S177 PolarHBondContact O-N 3.35Å; C174-I178 WeakPolarHBondContact O-CD1 3.43Å; C174-I178 WeakPolarHBondContact O-CG1 3.21Å; C174-I178 PolarHBondContact O-N 3.49Å
175A98.9Very high98.7Very high0 Ų025 Ų250%012%0.119CC..Hα-helixtrans-60.9-46.8178.500000112.1L148 F158 F171 I172 Y173 S177 I178 C179 M188L148-A175 HydrophobicContact CD1-CB 3.73Å; L148-A175 HydrophobicContact CD2-CB 4.16Å; L148-A175 HydrophobicContact CG-CB 4.25Å; F158-A175 HydrophobicContact CD1-CB 3.99Å; F158-A175 HydrophobicContact CD2-CB 4.31Å; F158-A175 HydrophobicContact CE1-CB 3.77Å; F158-A175 HydrophobicContact CE2-CB 4.12Å; F158-A175 HydrophobicContact CG-CB 4.27Å; F158-A175 HydrophobicContact CZ-CB 3.85Å; F171-A175 VanDerWaalsContact O-CB 3.27Å; F171-A175 WeakPolarHBondContact O-CB 3.5Å; F171-A175 PolarHBondContact O-N 3.14Å; I172-A175 PolarHBondContact O-N 2.85Å; Y173-A175 VanDerWaalsContact C-N 3.35Å; Y173-A175 PolarHBondContact O-N 2.81Å; A175-S177 VanDerWaalsContact C-N 3.31Å; A175-S177 PolarHBondContact O-N 3.31Å; A175-I178 PolarHBondContact O-N 2.85Å; A175-C179 PolarHBondContact O-N 2.95Å; A175-M188 HydrophobicContact CB-CE 3.52Å; A175-M188 VanDerWaalsContact O-CE 3.3Å; A175-M188 WeakPolarHBondContact O-CE 3.2Å
176A98.9Very high98.7Very high0 Ų026.4 Ų26.40%013%0.128CC..Hα-helixtrans-63-40.5-179.800000111.1I172 Y173 Y180 W185 M188 M230I172-A176 WeakPolarHBondContact O-CB 3.49Å; I172-A176 PolarHBondContact O-N 2.76Å; Y173-A176 PolarHBondContact O-N 2.86Å; A176-Y180 WeakPolarHBondContact O-CB 3.48Å; A176-Y180 PolarHBondContact O-N 3.44Å; A176-W185 HydrophobicContact CB-CH2 4.35Å; A176-W185 HydrophobicContact CB-CZ3 4.28Å; A176-M188 HydrophobicContact CB-CE 4.29Å; A176-M188 VanDerWaalsContact N-CE 3.29Å; A176-M230 HydrophobicContact CB-CE 3.96Å
177S98.9Very high98.7Very high0 Ų021.9 Ų21.90%011%0.107CC..Hα-helixtrans-65.8-40.2176.1-58.30000112.2Y123 Y173 C174 A175 Y180 M181 L229Y123-S177 VanDerWaalsContact CD2-CB 3.42Å; Y173-S177 WeakPolarHBondContact O-CB 3.46Å; Y173-S177 PolarHBondContact O-N 3.46Å; Y173-S177 PolarHBondContact O-OG 3.48Å; C174-S177 PolarHBondContact O-N 3.35Å; A175-S177 VanDerWaalsContact C-N 3.31Å; A175-S177 PolarHBondContact O-N 3.31Å; S177-Y180 PolarHBondContact O-N 2.93Å; S177-M181 WeakPolarHBondContact O-CB 3.22Å; S177-M181 WeakPolarHBondContact O-CE 3.12Å; S177-M181 VanDerWaalsContact O-CG 3.29Å; S177-M181 WeakPolarHBondContact O-CG 3.43Å; S177-M181 PolarHBondContact O-N 2.79Å; S177-L229 WeakPolarHBondContact OG-CD1 3.42Å
178I98.9Very high98.7Very high1 Ų120.3 Ų20.31%0.00510%0.098CC..Hα-helixtrans-63.5-51.8175.9-67.7159.1000110.5V119 T122 L126 V144 L148 C174 A175 Y180 M181 L182V119-I178 HydrophobicContact CG2-CD1 3.83Å; T122-I178 HydrophobicContact CG2-CD1 3.64Å; T122-I178 HydrophobicContact CG2-CG1 3.98Å; T122-I178 HydrophobicContact CG2-CG2 4.3Å; L126-I178 HydrophobicContact CD1-CB 4.46Å; L126-I178 HydrophobicContact CD1-CG1 4.26Å; L126-I178 HydrophobicContact CD1-CG2 4.04Å; V144-I178 HydrophobicContact CG1-CG2 3.71Å; L148-I178 HydrophobicContact CD1-CD1 4.1Å; L148-I178 HydrophobicContact CD2-CB 4.22Å; L148-I178 HydrophobicContact CD2-CG2 4.05Å; C174-I178 WeakPolarHBondContact O-CD1 3.43Å; C174-I178 WeakPolarHBondContact O-CG1 3.21Å; C174-I178 PolarHBondContact O-N 3.49Å; A175-I178 PolarHBondContact O-N 2.85Å; I178-Y180 VanDerWaalsContact C-N 3.3Å; I178-Y180 PolarHBondContact O-N 2.84Å; I178-M181 PolarHBondContact O-N 3.03Å; I178-L182 HydrophobicContact CG2-CD1 4.04Å; I178-L182 HydrophobicContact CG2-CG 4.47Å; I178-L182 WeakPolarHBondContact O-CB 3.46Å; I178-L182 WeakPolarHBondContact O-CG 3.48Å; I178-L182 PolarHBondContact O-N 3.3Å
179C98.9Very high98.7Very high0 Ų023.5 Ų23.50%012%0.116CC..Hα-helixtrans-57.6-44.3177.1-77.50000111.7A175 L182 D183 D184 W185 M188A175-C179 PolarHBondContact O-N 2.95Å; C179-L182 PolarHBondContact O-N 3.26Å; C179-D183 PolarHBondContact O-N 2.63Å; C179-D184 VanDerWaalsContact CA-O 3.3Å; C179-D184 WeakPolarHBondContact CA-O 3.35Å; C179-D184 VanDerWaalsContact CB-O 3.31Å; C179-D184 WeakPolarHBondContact CB-O 3.49Å; C179-D184 PolarHBondContact O-N 3.13Å; C179-D184 VanDerWaalsContact O-N 3.08Å; C179-D184 PolarHBondContact SG-O 3.47Å; C179-W185 HydrophobicContact CB-CD2 3.82Å; C179-W185 HydrophobicContact CB-CE3 3.6Å; C179-W185 HydrophobicContact CB-CG 4.35Å; C179-W185 HydrophobicContact CB-CH2 4.39Å; C179-W185 HydrophobicContact CB-CZ3 3.9Å; C179-M188 HydrophobicContact CB-CE 4.16Å
180Y98.9Very high98.7Very high52 Ų5224.8 Ų24.820%0.20412%0.124CC..Hα-helixtrans-59.5-51.5176-171.8-80.9000111.5A176 S177 I178 L182 D183 W185 L229 L341 F348 L351 Q355A176-Y180 WeakPolarHBondContact O-CB 3.48Å; A176-Y180 PolarHBondContact O-N 3.44Å; S177-Y180 PolarHBondContact O-N 2.93Å; I178-Y180 VanDerWaalsContact C-N 3.3Å; I178-Y180 PolarHBondContact O-N 2.84Å; Y180-L182 VanDerWaalsContact C-N 3.31Å; Y180-L182 PolarHBondContact O-N 3.2Å; Y180-D183 PolarHBondContact O-N 2.91Å; Y180-W185 HydrophobicContact CD2-CZ2 4.3Å; Y180-L229 HydrophobicContact CD1-CD2 4.18Å; Y180-L229 HydrophobicContact CD2-CB 4.02Å; Y180-L229 HydrophobicContact CD2-CD2 3.75Å; Y180-L229 HydrophobicContact CD2-CG 4.49Å; Y180-L229 VanDerWaalsContact CD2-O 3.31Å; Y180-L229 WeakPolarHBondContact CD2-O 3.17Å; Y180-L229 HydrophobicContact CE2-CD2 4.06Å; Y180-L229 HydrophobicContact CG-CB 4.44Å; Y180-L229 HydrophobicContact CG-CD2 3.79Å; Y180-L341 HydrophobicContact CD1-CD1 3.75Å; Y180-L341 HydrophobicContact CD1-CD2 4.06Å; Y180-L341 HydrophobicContact CD1-CG 4.3Å; Y180-L341 HydrophobicContact CE1-CD1 3.69Å; Y180-F348 AromaticContact CE1-CE2 3.77Å; Y180-F348 HydrophobicContact CE1-CE2 3.77Å; Y180-F348 AromaticContact CZ-CE2 3.99Å; Y180-F348 WeakPolarHBondContact OH-CE2 3.32Å; Y180-F348 WeakPolarHBondContact OH-CZ 3.27Å; Y180-L351 HydrophobicContact CD1-CD2 4.11Å; Y180-L351 HydrophobicContact CE1-CD2 3.99Å; Y180-Q355 PolarHBondContact O-NE2 2.58Å
181M98.9Very high98.7Very high0 Ų025.2 Ų25.20%013%0.129CC..Hα-helixtrans-64.1-33.6-178.7-73.7-174.7-70.300113.2Y123 L126 L130 S177 I178 D183 L341 L351Y123-M181 HydrophobicContact CD2-CE 3.84Å; Y123-M181 HydrophobicContact CE2-CE 4.42Å; L126-M181 HydrophobicContact CB-CE 3.54Å; L126-M181 HydrophobicContact CB-SD 3.86Å; L126-M181 HydrophobicContact CD1-CE 4.05Å; L126-M181 HydrophobicContact CG-CE 4.45Å; L130-M181 HydrophobicContact CD1-CB 4.4Å; L130-M181 HydrophobicContact CD1-CG 3.9Å; L130-M181 HydrophobicContact CD1-SD 3.53Å; L130-M181 VanDerWaalsContact CD1-SD 3.53Å; S177-M181 WeakPolarHBondContact O-CB 3.22Å; S177-M181 WeakPolarHBondContact O-CE 3.12Å; S177-M181 VanDerWaalsContact O-CG 3.29Å; S177-M181 WeakPolarHBondContact O-CG 3.43Å; S177-M181 PolarHBondContact O-N 2.79Å; I178-M181 PolarHBondContact O-N 3.03Å; M181-D183 VanDerWaalsContact C-N 3.3Å; M181-L341 HydrophobicContact CG-CD2 4.34Å; M181-L351 HydrophobicContact CB-CD1 4.43Å; M181-L351 HydrophobicContact CB-CD2 4.49Å; M181-L351 HydrophobicContact CG-CD2 3.97Å; M181-L351 VanDerWaalsContact O-CD1 3.32Å; M181-L351 WeakPolarHBondContact O-CD1 3.27Å
182L98.8Very high98.7Very high3 Ų328.3 Ų28.32%0.01614%0.142CC..Hα-helixtrans-83.6-7.3178.9-63.2-173.3000113.8L126 V139 K141 V144 L145 I178 C179 Y180 D184L126-L182 HydrophobicContact CD1-CD1 4.46Å; L126-L182 HydrophobicContact CD1-CD2 4.11Å; L126-L182 HydrophobicContact CD1-CG 4.18Å; L126-L182 HydrophobicContact CD2-CD2 4.24Å; V139-L182 HydrophobicContact CG1-CD2 4.33Å; K141-L182 HydrophobicContact CD-CD2 4.48Å; K141-L182 HydrophobicContact CG-CD2 4.22Å; K141-L182 PolarHBondContact NZ-O 3.13Å; V144-L182 HydrophobicContact CB-CD1 4.15Å; V144-L182 HydrophobicContact CG1-CD1 3.68Å; L145-L182 HydrophobicContact CD2-CD1 4.17Å; L145-L182 HydrophobicContact CG-CD1 4.23Å; I178-L182 HydrophobicContact CG2-CD1 4.04Å; I178-L182 HydrophobicContact CG2-CG 4.47Å; I178-L182 WeakPolarHBondContact O-CB 3.46Å; I178-L182 WeakPolarHBondContact O-CG 3.48Å; I178-L182 PolarHBondContact O-N 3.3Å; C179-L182 PolarHBondContact O-N 3.26Å; Y180-L182 VanDerWaalsContact C-N 3.31Å; Y180-L182 PolarHBondContact O-N 3.2Å; L182-D184 VanDerWaalsContact C-N 3.25Å; L182-D184 PolarHBondContact O-N 3.43Å
183D98.4Very high98.7Very high51 Ų5128.3 Ų28.327%0.27314%0.142SC..THydrogen-bonded Turntrans57.436.5-173.7-158.633.3000112.8C179 Y180 M181 Q355 W358 R359C179-D183 PolarHBondContact O-N 2.63Å; Y180-D183 PolarHBondContact O-N 2.91Å; M181-D183 VanDerWaalsContact C-N 3.3Å; D183-Q355 HydrophobicContact CB-CG 4.02Å; D183-W358 HydrophobicContact CB-CE3 4.17Å; D183-W358 HydrophobicContact CB-CZ3 4.28Å; D183-R359 IonicContact OD1-CZ 3.09Å; D183-R359 IonicContact OD1-NE 2.72Å; D183-R359 IonicContact OD1-NH2 2.87Å; D183-R359 PolarHBondContact OD1-NH2 2.9Å; D183-R359 IonicContact OD2-CZ 3.66Å; D183-R359 IonicContact OD2-NE 3.77Å; D183-R359 PolarHBondContact OD2-NE 3.36Å; D183-R359 IonicContact OD2-NH2 2.73Å; D183-R359 PolarHBondContact OD2-NH2 3.15Å
184D98.5Very high98.7Very high63 Ų6328.2 Ų28.234%0.33714%0.142SC..  trans-150.2116.3-176-170.1-21000111.2L145 C179 L182 S186L145-D184 HydrophobicContact CD1-CB 3.81Å; L145-D184 VanDerWaalsContact CD1-OD2 3.27Å; L145-D184 WeakPolarHBondContact CD1-OD2 3.48Å; C179-D184 VanDerWaalsContact CA-O 3.3Å; C179-D184 WeakPolarHBondContact CA-O 3.35Å; C179-D184 VanDerWaalsContact CB-O 3.31Å; C179-D184 WeakPolarHBondContact CB-O 3.49Å; C179-D184 PolarHBondContact O-N 3.13Å; C179-D184 VanDerWaalsContact O-N 3.08Å; C179-D184 PolarHBondContact SG-O 3.47Å; L182-D184 VanDerWaalsContact C-N 3.25Å; L182-D184 PolarHBondContact O-N 3.43Å; D184-S186 VanDerWaalsContact CG-OG 3.29Å; D184-S186 WeakPolarHBondContact OD1-CB 3.43Å; D184-S186 PolarHBondContact OD1-N 3.07Å; D184-S186 PolarHBondContact OD1-OG 3.27Å; D184-S186 PolarHBondContact OD2-OG 3.4Å
185W98.6Very high98.7Very high74 Ų7432.8 Ų32.828%0.2816%0.163SC..  trans-93.23.9-178.5-66.688.7000113.8A176 C179 Y180 G187 M188 L229 M230A176-W185 HydrophobicContact CB-CH2 4.35Å; A176-W185 HydrophobicContact CB-CZ3 4.28Å; C179-W185 HydrophobicContact CB-CD2 3.82Å; C179-W185 HydrophobicContact CB-CE3 3.6Å; C179-W185 HydrophobicContact CB-CG 4.35Å; C179-W185 HydrophobicContact CB-CH2 4.39Å; C179-W185 HydrophobicContact CB-CZ3 3.9Å; Y180-W185 HydrophobicContact CD2-CZ2 4.3Å; W185-G187 PolarHBondContact O-N 2.91Å; W185-G187 VanDerWaalsContact O-N 3.15Å; W185-M188 HydrophobicContact CE3-CE 4.28Å; W185-M188 HydrophobicContact CE3-CG 4.24Å; W185-M188 HydrophobicContact CE3-SD 3.92Å; W185-M188 HydrophobicContact CZ3-CE 4.07Å; W185-M188 HydrophobicContact CZ3-SD 3.93Å; W185-M188 PolarHBondContact O-N 3.27Å; W185-M188 VanDerWaalsContact O-O 3.1Å; W185-L229 HydrophobicContact CH2-CB 4.42Å; W185-L229 WeakPolarHBondContact CZ2-O 3.21Å; W185-M230 HydrophobicContact CE3-CG 4.34Å; W185-M230 HydrophobicContact CH2-CB 4.08Å; W185-M230 HydrophobicContact CH2-CG 3.48Å; W185-M230 VanDerWaalsContact CH2-CG 3.48Å; W185-M230 HydrophobicContact CZ2-CG 4.45Å; W185-M230 HydrophobicContact CZ3-CB 4.35Å; W185-M230 HydrophobicContact CZ3-CE 4.29Å; W185-M230 HydrophobicContact CZ3-CG 3.41Å; W185-M230 VanDerWaalsContact CZ3-CG 3.41Å
186S98.6Very high98.7Very high67 Ų6734.1 Ų34.147%0.46917%0.168SC..THydrogen-bonded Turntrans-65.8-14.4178.9660000114.3D184 M188D184-S186 VanDerWaalsContact CG-OG 3.29Å; D184-S186 WeakPolarHBondContact OD1-CB 3.43Å; D184-S186 PolarHBondContact OD1-N 3.07Å; D184-S186 PolarHBondContact OD1-OG 3.27Å; D184-S186 PolarHBondContact OD2-OG 3.4Å; S186-M188 PolarHBondContact O-N 2.76Å
187G98.3Very high98.7Very high0 Ų034.1 Ų34.10%017%0.168CC..THydrogen-bonded Turntrans-74-4.6174.500000114.9L148 K149 W185L148-G187 CarbonylContact C-O 3.52Å; K149-G187 VanDerWaalsContact CA-O 3.28Å; K149-G187 WeakPolarHBondContact CA-O 3.45Å; K149-G187 PolarHBondContact N-O 2.84Å; W185-G187 PolarHBondContact O-N 2.91Å; W185-G187 VanDerWaalsContact O-N 3.15Å
188M98.3Very high98.7Very high14 Ų1439 Ų397%0.06919%0.186CC..SBendtrans-150.2151.9176.365.8170.576.200114.2F158 A175 A176 C179 W185 S186 T190 M230F158-M188 HydrophobicContact CE1-CB 4.42Å; F158-M188 HydrophobicContact CZ-CB 3.63Å; A175-M188 HydrophobicContact CB-CE 3.52Å; A175-M188 VanDerWaalsContact O-CE 3.3Å; A175-M188 WeakPolarHBondContact O-CE 3.2Å; A176-M188 HydrophobicContact CB-CE 4.29Å; A176-M188 VanDerWaalsContact N-CE 3.29Å; C179-M188 HydrophobicContact CB-CE 4.16Å; W185-M188 HydrophobicContact CE3-CE 4.28Å; W185-M188 HydrophobicContact CE3-CG 4.24Å; W185-M188 HydrophobicContact CE3-SD 3.92Å; W185-M188 HydrophobicContact CZ3-CE 4.07Å; W185-M188 HydrophobicContact CZ3-SD 3.93Å; W185-M188 PolarHBondContact O-N 3.27Å; W185-M188 VanDerWaalsContact O-O 3.1Å; S186-M188 PolarHBondContact O-N 2.76Å; M188-T190 PolarHBondContact O-N 2.82Å; M188-M230 HydrophobicContact SD-CE 3.84Å
189D98.8Very high98.7Very high68 Ų6841.1 Ų41.136%0.36421%0.208SC..  trans-75.897.9155.7-172.4-29.7000108.9Q152 Q191 K192 A193Q152-D189 PolarHBondContact NE2-O 2.85Å; D189-Q191 VanDerWaalsContact C-N 3.27Å; D189-Q191 PolarHBondContact O-N 3.17Å; D189-Q191 PolarHBondContact OD1-N 3.12Å; D189-K192 HydrophobicContact CB-CB 4.2Å; D189-K192 HydrophobicContact CB-CD 4.34Å; D189-K192 HydrophobicContact CB-CG 4.37Å; D189-K192 PolarHBondContact OD1-N 3.19Å; D189-K192 WeakPolarHBondContact OD2-CD 3.15Å; D189-K192 WeakPolarHBondContact OD2-CG 3.26Å; D189-A193 PolarHBondContact O-N 3.17Å
190T98.6Very high98.7Very high27 Ų2741.2 Ų41.217%0.16621%0.208CC..Hα-helixtrans-64.2-33.6-178.4-58.60000111.7M188 A193 I194 M230M188-T190 PolarHBondContact O-N 2.82Å; T190-A193 PolarHBondContact O-N 2.6Å; T190-I194 HydrophobicContact CG2-CD1 4Å; T190-I194 VanDerWaalsContact O-CG1 3.29Å; T190-I194 WeakPolarHBondContact O-CG1 3.24Å; T190-I194 PolarHBondContact O-N 2.82Å; T190-M230 HydrophobicContact CG2-CB 4.47Å; T190-M230 HydrophobicContact CG2-CE 4.49Å; T190-M230 HydrophobicContact CG2-CG 4.06Å; T190-M230 HydrophobicContact CG2-SD 3.87Å
191Q98.7Very high98.6Very high85 Ų8541 Ų4140%0.39721%0.211SC..Hα-helixtrans-69.2-45.8-177.1-178.756.435.200110.8D189 A193 I194 E195D189-Q191 VanDerWaalsContact C-N 3.27Å; D189-Q191 PolarHBondContact O-N 3.17Å; D189-Q191 PolarHBondContact OD1-N 3.12Å; Q191-A193 VanDerWaalsContact C-N 3.32Å; Q191-A193 PolarHBondContact O-N 3.03Å; Q191-I194 WeakPolarHBondContact O-CB 3.46Å; Q191-I194 PolarHBondContact O-N 3.31Å; Q191-E195 WeakPolarHBondContact CG-OE1 3.11Å; Q191-E195 PolarHBondContact NE2-OE1 3.24Å; Q191-E195 WeakPolarHBondContact O-CG 3.14Å; Q191-E195 PolarHBondContact O-N 2.98Å
192K98.8Very high98.6Very high72 Ų7241.8 Ų41.831%0.31322%0.216SC..Hα-helixtrans-62.5-38.4174.1-73.4-172.6170.7-154.30112.9E154 D189 I194 E195 Y196E154-K192 PolarHBondContact O-NZ 2.83Å; D189-K192 HydrophobicContact CB-CB 4.2Å; D189-K192 HydrophobicContact CB-CD 4.34Å; D189-K192 HydrophobicContact CB-CG 4.37Å; D189-K192 PolarHBondContact OD1-N 3.19Å; D189-K192 WeakPolarHBondContact OD2-CD 3.15Å; D189-K192 WeakPolarHBondContact OD2-CG 3.26Å; K192-I194 VanDerWaalsContact C-N 3.33Å; K192-I194 PolarHBondContact O-N 3.17Å; K192-E195 PolarHBondContact O-N 3Å; K192-Y196 PolarHBondContact O-N 3.47Å
193A98.8Very high98.6Very high0 Ų051.6 Ų51.60%025%0.254CS..Hα-helixtrans-61.6-41.6175.300000111.8I172 D189 T190 Q191 Y196 I197 M230I172-A193 HydrophobicContact CG2-CB 4.22Å; D189-A193 PolarHBondContact O-N 3.17Å; T190-A193 PolarHBondContact O-N 2.6Å; Q191-A193 VanDerWaalsContact C-N 3.32Å; Q191-A193 PolarHBondContact O-N 3.03Å; A193-Y196 PolarHBondContact O-N 3.29Å; A193-I197 WeakPolarHBondContact O-CG1 3.2Å; A193-I197 PolarHBondContact O-N 3.28Å; A193-M230 HydrophobicContact CB-CE 4.05Å
194I98.8Very high98.6Very high6 Ų650.9 Ų50.93%0.03125%0.251CS..Hα-helixtrans-62.8-42.8174.1-69.4165.9000111T190 Q191 K192 I197 R198 L227 M230 R232 A236T190-I194 HydrophobicContact CG2-CD1 4Å; T190-I194 VanDerWaalsContact O-CG1 3.29Å; T190-I194 WeakPolarHBondContact O-CG1 3.24Å; T190-I194 PolarHBondContact O-N 2.82Å; Q191-I194 WeakPolarHBondContact O-CB 3.46Å; Q191-I194 PolarHBondContact O-N 3.31Å; K192-I194 VanDerWaalsContact C-N 3.33Å; K192-I194 PolarHBondContact O-N 3.17Å; I194-I197 PolarHBondContact O-N 3.34Å; I194-R198 HydrophobicContact CG2-CG 4.41Å; I194-R198 WeakPolarHBondContact O-CB 3.4Å; I194-R198 WeakPolarHBondContact O-CG 3.49Å; I194-R198 PolarHBondContact O-N 3Å; I194-L227 HydrophobicContact CG1-CD2 3.93Å; I194-L227 HydrophobicContact CG2-CD2 4.49Å; I194-M230 HydrophobicContact CD1-SD 4.47Å; I194-M230 HydrophobicContact CG1-SD 4Å; I194-R232 HydrophobicContact CD1-CB 3.95Å; I194-R232 HydrophobicContact CD1-CG 4.05Å; I194-A236 HydrophobicContact CG2-CB 3.75Å
195E98.8Very high98.5Very high105 Ų10550.1 Ų50.149%0.49125%0.247SC..Hα-helixtrans-61.5-44177.4-73.2166.5-167.300112Q191 K192 R198 G199Q191-E195 WeakPolarHBondContact CG-OE1 3.11Å; Q191-E195 PolarHBondContact NE2-OE1 3.24Å; Q191-E195 WeakPolarHBondContact O-CG 3.14Å; Q191-E195 PolarHBondContact O-N 2.98Å; K192-E195 PolarHBondContact O-N 3Å; E195-R198 PolarHBondContact O-N 3.2Å; E195-G199 PolarHBondContact O-N 2.9Å
196Y98.8Very high98.5Very high29 Ų2946.6 Ų46.611%0.11423%0.233CC..Hα-helixtrans-61-46174.1-170.5-85.8000112.1D155 S157 I169 I172 K192 A193 R198 G199 S200D155-Y196 HydrophobicContact CB-CD2 4.23Å; D155-Y196 WeakPolarHBondContact O-CB 3.39Å; D155-Y196 WeakPolarHBondContact O-CD2 3.47Å; D155-Y196 WeakPolarHBondContact OD2-CE2 3.47Å; S157-Y196 VanDerWaalsContact CB-CE2 3.43Å; I169-Y196 HydrophobicContact CG1-CD1 4.2Å; I169-Y196 HydrophobicContact CG1-CE1 3.85Å; I172-Y196 HydrophobicContact CD1-CD1 3.36Å; I172-Y196 HydrophobicContact CD1-CE1 4.08Å; I172-Y196 HydrophobicContact CD1-CG 3.95Å; K192-Y196 PolarHBondContact O-N 3.47Å; A193-Y196 PolarHBondContact O-N 3.29Å; Y196-R198 PolarHBondContact O-N 3.26Å; Y196-G199 PolarHBondContact O-N 3.09Å; Y196-S200 PolarHBondContact O-N 2.87Å; Y196-S200 VanDerWaalsContact O-N 3.09Å; Y196-S200 PolarHBondContact O-OG 2.96Å
197I98.8Very high98.5Very high0 Ų043.4 Ų43.40%021%0.211CC..Hα-helixtrans-57.9-50.8176.6-71.9167.8000109.9I172 A193 I194 G199 S200 F207 A223 L227I172-I197 HydrophobicContact CD1-CG1 4.21Å; I172-I197 HydrophobicContact CG2-CD1 3.91Å; I172-I197 HydrophobicContact CG2-CG1 4.34Å; A193-I197 WeakPolarHBondContact O-CG1 3.2Å; A193-I197 PolarHBondContact O-N 3.28Å; I194-I197 PolarHBondContact O-N 3.34Å; I197-G199 VanDerWaalsContact C-N 3.35Å; I197-G199 PolarHBondContact O-N 2.89Å; I197-S200 WeakPolarHBondContact O-CB 3.27Å; I197-S200 PolarHBondContact O-N 3.1Å; I197-F207 HydrophobicContact CG2-CD1 4.15Å; I197-F207 HydrophobicContact CG2-CE1 3.66Å; I197-F207 HydrophobicContact CG2-CZ 4.13Å; I197-F207 VanDerWaalsContact O-CD1 3.26Å; I197-F207 WeakPolarHBondContact O-CD1 3.46Å; I197-F207 WeakPolarHBondContact O-CE1 3.45Å; I197-A223 HydrophobicContact CG2-CB 3.81Å; I197-L227 HydrophobicContact CD1-CD2 4.06Å; I197-L227 HydrophobicContact CD1-CG 4.17Å; I197-L227 HydrophobicContact CG2-CD1 3.96Å; I197-L227 HydrophobicContact CG2-CD2 4.49Å; I197-L227 HydrophobicContact CG2-CG 4.24Å
198R98.6Very high98.5Very high103 Ų10343.4 Ų43.439%0.38921%0.211SC..Hα-helixtrans-60.2-43.1179-75.4-172.159.267.94.5112.1I194 E195 Y196 S200 L201 A236 E241I194-R198 HydrophobicContact CG2-CG 4.41Å; I194-R198 WeakPolarHBondContact O-CB 3.4Å; I194-R198 WeakPolarHBondContact O-CG 3.49Å; I194-R198 PolarHBondContact O-N 3Å; E195-R198 PolarHBondContact O-N 3.2Å; Y196-R198 PolarHBondContact O-N 3.26Å; R198-S200 PolarHBondContact O-N 2.93Å; R198-L201 WeakPolarHBondContact O-CB 3.38Å; R198-L201 PolarHBondContact O-N 3.26Å; R198-L201 VanDerWaalsContact O-N 3.17Å; R198-A236 VanDerWaalsContact CD-O 3.29Å; R198-A236 WeakPolarHBondContact CD-O 3.27Å; R198-A236 PolarHBondContact NH1-O 3.28Å; R198-E241 IonicContact CZ-OE1 2.68Å; R198-E241 IonicContact NH1-OE1 3.19Å; R198-E241 PolarHBondContact NH1-OE1 2.91Å; R198-E241 IonicContact NH1-OE2 3.63Å; R198-E241 IonicContact NH2-OE1 2.67Å; R198-E241 PolarHBondContact NH2-OE1 3.49Å
199G98.5Very high98.4Very high44 Ų4446 Ų4645%0.45422%0.223SC..Hα-helixtrans-63.2-20.3176.600000113.9E195 Y196 I197 A211E195-G199 PolarHBondContact O-N 2.9Å; Y196-G199 PolarHBondContact O-N 3.09Å; I197-G199 VanDerWaalsContact C-N 3.35Å; I197-G199 PolarHBondContact O-N 2.89Å; G199-A211 WeakPolarHBondContact O-CA 3.12Å; G199-A211 WeakPolarHBondContact O-CB 3.37Å
200S98.6Very high98.3Very high2 Ų243.1 Ų43.11%0.01421%0.209CC..THydrogen-bonded Turntrans-88-2.2178.9-55.70000114Y196 I197 R198 S202 F207 G208 G210Y196-S200 PolarHBondContact O-N 2.87Å; Y196-S200 VanDerWaalsContact O-N 3.09Å; Y196-S200 PolarHBondContact O-OG 2.96Å; I197-S200 WeakPolarHBondContact O-CB 3.27Å; I197-S200 PolarHBondContact O-N 3.1Å; R198-S200 PolarHBondContact O-N 2.93Å; S200-S202 PolarHBondContact O-N 3.06Å; S200-F207 WeakPolarHBondContact O-CA 3.35Å; S200-G208 PolarHBondContact O-N 3.06Å; S200-G210 WeakPolarHBondContact OG-CA 3.43Å
201L98.5Very high98.3Very high48 Ų4845.2 Ų45.225%0.25123%0.229SC..BIsolated β-bridgetrans-67.7117.4174-17366.5000109.8R198 F207 E241 I245R198-L201 WeakPolarHBondContact O-CB 3.38Å; R198-L201 PolarHBondContact O-N 3.26Å; R198-L201 VanDerWaalsContact O-N 3.17Å; L201-F207 HydrophobicContact CB-CD1 4.22Å; L201-F207 HydrophobicContact CB-CE1 4Å; L201-F207 HydrophobicContact CD1-CD1 4.31Å; L201-F207 HydrophobicContact CD1-CE1 4.06Å; L201-F207 HydrophobicContact CD1-CE2 4.37Å; L201-F207 HydrophobicContact CD1-CZ 4.1Å; L201-E241 HydrophobicContact CD2-CG 4.35Å; L201-I245 HydrophobicContact CD1-CD1 4.25Å; L201-I245 HydrophobicContact CD1-CG1 4.21Å
202S98.3Very high98.2Very high17 Ų1745.1 Ų45.112%0.11925%0.251CS..  trans-85.3168.8-177.4-158.90000112.4S200 D204 N205 A206 R213S200-S202 PolarHBondContact O-N 3.06Å; S202-D204 PolarHBondContact O-N 2.67Å; S202-N205 WeakPolarHBondContact O-CA 3.17Å; S202-N205 PolarHBondContact O-N 2.77Å; S202-A206 WeakPolarHBondContact CB-O 3.24Å; S202-A206 PolarHBondContact N-O 3.42Å; S202-R213 PolarHBondContact OG-O 2.72Å
203Y98.1Very high98.2Very high208 Ų20849.3 Ų49.382%0.81627%0.265SS*.THydrogen-bonded Turntrans-63.6-25.5-17771.3-92.2000113.4N205Y203-N205 PolarHBondContact O-N 3.17Å
204D98.3Very high98.2Very high36 Ų3654.1 Ų54.119%0.19329%0.287CS..THydrogen-bonded Turntrans-85.96.7176.973.9-19000113S202 S215 W248S202-D204 PolarHBondContact O-N 2.67Å; D204-S215 WeakPolarHBondContact OD1-CB 3.2Å; D204-S215 PolarHBondContact OD1-OG 2.96Å; D204-S215 PolarHBondContact OD2-OG 3.21Å; D204-W248 VanDerWaalsContact O-CD1 3.24Å; D204-W248 PolarHBondContact OD2-NE1 2.92Å
205N97.7Very high98.2Very high47 Ų4753.8 Ų53.825%0.25129%0.286SS..SBendtrans7632.4168.4-39.3-89.4000115.4S202 Y203 R244 I245S202-N205 WeakPolarHBondContact O-CA 3.17Å; S202-N205 PolarHBondContact O-N 2.77Å; Y203-N205 PolarHBondContact O-N 3.17Å; N205-R244 HydrophobicContact CB-CB 3.49Å; N205-R244 VanDerWaalsContact CB-CB 3.49Å; N205-R244 HydrophobicContact CB-CG 4.44Å; N205-R244 WeakPolarHBondContact OD1-CD 3.49Å; N205-I245 VanDerWaalsContact O-CA 3.31Å; N205-I245 WeakPolarHBondContact O-CA 3.35Å; N205-I245 WeakPolarHBondContact O-CG1 3.24Å
206A98.4Very high98.2Very high0 Ų050 Ų500%027%0.268CS..SBendtrans-138.9173.4165.700000110.6S202 T220 W248S202-A206 WeakPolarHBondContact CB-O 3.24Å; S202-A206 PolarHBondContact N-O 3.42Å; A206-T220 HydrophobicContact CB-CG2 4.37Å; A206-W248 HydrophobicContact CB-CB 3.98Å; A206-W248 HydrophobicContact CB-CD2 3.14Å; A206-W248 HydrophobicContact CB-CE3 3.36Å; A206-W248 HydrophobicContact CB-CG 3.41Å; A206-W248 VanDerWaalsContact CB-CG 3.41Å; A206-W248 HydrophobicContact CB-CH2 4.25Å; A206-W248 HydrophobicContact CB-CZ2 4.07Å; A206-W248 HydrophobicContact CB-CZ3 3.93Å
207F98.8Very high98.2Very high0 Ų048.6 Ų48.60%026%0.263CS..BIsolated β-bridgetrans-88.6132.7-170.8-60.9-85.8000111.8I169 I197 S200 L201 S215 H216 T220 A223 I224 L237 I245I169-F207 HydrophobicContact CD1-CB 4.26Å; I197-F207 HydrophobicContact CG2-CD1 4.15Å; I197-F207 HydrophobicContact CG2-CE1 3.66Å; I197-F207 HydrophobicContact CG2-CZ 4.13Å; I197-F207 VanDerWaalsContact O-CD1 3.26Å; I197-F207 WeakPolarHBondContact O-CD1 3.46Å; I197-F207 WeakPolarHBondContact O-CE1 3.45Å; S200-F207 WeakPolarHBondContact O-CA 3.35Å; L201-F207 HydrophobicContact CB-CD1 4.22Å; L201-F207 HydrophobicContact CB-CE1 4Å; L201-F207 HydrophobicContact CD1-CD1 4.31Å; L201-F207 HydrophobicContact CD1-CE1 4.06Å; L201-F207 HydrophobicContact CD1-CE2 4.37Å; L201-F207 HydrophobicContact CD1-CZ 4.1Å; F207-S215 CarbonylContact O-C 3.38Å; F207-S215 VanDerWaalsContact O-CA 3.28Å; F207-S215 WeakPolarHBondContact O-CA 3.32Å; F207-H216 PolarHBondContact O-N 3.11Å; F207-T220 HydrophobicContact CD2-CG2 4.13Å; F207-T220 PolarHBondContact N-OG1 3.42Å; F207-T220 PolarHBondContact O-OG1 3.03Å; F207-A223 HydrophobicContact CB-CB 3.97Å; F207-A223 HydrophobicContact CD1-CB 3.9Å; F207-A223 HydrophobicContact CD2-CB 3.5Å; F207-A223 VanDerWaalsContact CD2-CB 3.5Å; F207-A223 HydrophobicContact CE1-CB 4.27Å; F207-A223 HydrophobicContact CE2-CB 3.89Å; F207-A223 HydrophobicContact CG-CB 3.5Å; F207-A223 VanDerWaalsContact CG-CB 3.5Å; F207-A223 HydrophobicContact CZ-CB 4.26Å; F207-I224 HydrophobicContact CE2-CD1 3.86Å; F207-I224 HydrophobicContact CE2-CG1 4.2Å; F207-L237 HydrophobicContact CE2-CD1 4.42Å; F207-L237 HydrophobicContact CZ-CD1 3.99Å; F207-L237 HydrophobicContact CZ-CD2 4.02Å; F207-I245 HydrophobicContact CE2-CD1 3.82Å; F207-I245 HydrophobicContact CE2-CG1 4.49Å; F207-I245 HydrophobicContact CZ-CD1 4.11Å
208G98.3Very high98.2Very high0 Ų049 Ų490%027%0.266CS..BIsolated β-bridgetrans-88.8-179.2166.400000112I169 S200 G210 E214 W219I169-G208 WeakPolarHBondContact CD1-O 3.18Å; S200-G208 PolarHBondContact O-N 3.06Å; G208-G210 PolarHBondContact O-N 3.41Å; G208-E214 WeakPolarHBondContact CA-O 3.37Å; G208-W219 VanDerWaalsContact C-CD1 3.45Å
209Q95.8Very high98.2Very high70 Ų7046.6 Ų46.633%0.32726%0.257SS..SBendtrans-62.1-29.5178.9-173179.710.900112.3D168 R213 W219D168-Q209 HydrophobicContact CB-CG 3.3Å; D168-Q209 WeakPolarHBondContact CB-O 3.16Å; D168-Q209 PolarHBondContact OD2-NE2 2.74Å; Q209-R213 HydrophobicContact CB-CB 4.36Å; Q209-R213 HydrophobicContact CB-CG 4.37Å; Q209-W219 HydrophobicContact CB-CD2 4.48Å; Q209-W219 HydrophobicContact CB-CG 4.39Å; Q209-W219 HydrophobicContact CG-CZ2 4.38Å
210G96.9Very high98.2Very high6 Ų644.5 Ų44.56%0.06224%0.236CC..SBendtrans-168.6-177.9-179.800000108.8S200 G208 G212 R213S200-G210 WeakPolarHBondContact OG-CA 3.43Å; G208-G210 PolarHBondContact O-N 3.41Å; G210-G212 PolarHBondContact O-N 3.4Å; G210-R213 WeakPolarHBondContact O-CB 3.34Å; G210-R213 WeakPolarHBondContact O-CG 3.28Å; G210-R213 PolarHBondContact O-N 3.21Å; G210-R213 VanDerWaalsContact O-N 3.16Å
211A97.8Very high98.2Very high72 Ų7244.4 Ų44.460%0.59524%0.235SC*.THydrogen-bonded Turntrans-53.9133.7179.800000112.9G199 R213G199-A211 WeakPolarHBondContact O-CA 3.12Å; G199-A211 WeakPolarHBondContact O-CB 3.37Å; A211-R213 PolarHBondContact O-N 3.22Å
212G97.2Very high98.2Very high83 Ų8342.5 Ų42.586%0.85623%0.226SC*.THydrogen-bonded Turntrans72.15.6178.700000115.7G210G210-G212 PolarHBondContact O-N 3.4Å
213R97.9Very high98.2Very high159 Ų15941.7 Ų41.760%0.622%0.22SC*.PPolyproline II helixtrans-87.9158.9177.4-57.2-59.8-174.3176.10.9111.9S202 Q209 G210 A211 S215S202-R213 PolarHBondContact OG-O 2.72Å; Q209-R213 HydrophobicContact CB-CB 4.36Å; Q209-R213 HydrophobicContact CB-CG 4.37Å; G210-R213 WeakPolarHBondContact O-CB 3.34Å; G210-R213 WeakPolarHBondContact O-CG 3.28Å; G210-R213 PolarHBondContact O-N 3.21Å; G210-R213 VanDerWaalsContact O-N 3.16Å; A211-R213 PolarHBondContact O-N 3.22Å; R213-S215 PolarHBondContact O-N 3.25Å
214E98.6Very high98.3Very high101 Ų10131.8 Ų31.847%0.47218%0.181SC..PPolyproline II helixtrans-61.1133.8173.8-170.7-172.3-168.800109.9G208 R260G208-E214 WeakPolarHBondContact CA-O 3.37Å; E214-R260 WeakPolarHBondContact OE1-CD 3.1Å; E214-R260 VanDerWaalsContact OE2-CD 3.25Å; E214-R260 WeakPolarHBondContact OE2-CD 3.43Å; E214-R260 IonicContact OE2-CZ 3.73Å; E214-R260 IonicContact OE2-NE 3.19Å; E214-R260 IonicContact OE2-NH1 3.92Å; E214-R260 PolarHBondContact OE2-NH1 3.46Å
215S98.8Very high98.3Very high0 Ų030.1 Ų30.10%017%0.172CC..BIsolated β-bridgetrans-64.4149.3175.763.20000111.3D204 F207 R213 W248 R260D204-S215 WeakPolarHBondContact OD1-CB 3.2Å; D204-S215 PolarHBondContact OD1-OG 2.96Å; D204-S215 PolarHBondContact OD2-OG 3.21Å; F207-S215 CarbonylContact O-C 3.38Å; F207-S215 VanDerWaalsContact O-CA 3.28Å; F207-S215 WeakPolarHBondContact O-CA 3.32Å; R213-S215 PolarHBondContact O-N 3.25Å; S215-W248 WeakPolarHBondContact OG-CZ2 3.24Å; S215-W248 PolarHBondContact OG-NE1 3.47Å; S215-R260 VanDerWaalsContact O-CG 3.3Å; S215-R260 WeakPolarHBondContact O-CG 3.29Å
216H98.9Very high98.4Very high24 Ų2427.9 Ų27.911%0.11116%0.16CC..  trans-151.4145.5-175.2-169.1-91.2000111.5F207 G218 W219 T220 G259 R260 Y269F207-H216 PolarHBondContact O-N 3.11Å; H216-G218 VanDerWaalsContact C-N 3.34Å; H216-G218 PolarHBondContact ND1-N 3.19Å; H216-G218 PolarHBondContact O-N 3.05Å; H216-W219 HydrophobicContact CB-CB 4.23Å; H216-W219 HydrophobicContact CB-CD2 4.49Å; H216-W219 HydrophobicContact CB-CG 3.77Å; H216-W219 AromaticContact CG-CD1 4Å; H216-W219 PolarHBondContact O-N 3.26Å; H216-T220 VanDerWaalsContact O-CB 3.25Å; H216-T220 WeakPolarHBondContact O-CB 3.26Å; H216-T220 PolarHBondContact O-N 2.91Å; H216-T220 PolarHBondContact O-OG1 3.31Å; H216-G259 CarbonylContact C-O 3.59Å; H216-G259 WeakPolarHBondContact CA-O 3.5Å; H216-R260 HydrophobicContact CB-CG 4.21Å; H216-R260 VanDerWaalsContact CD2-CD 3.46Å; H216-R260 WeakPolarHBondContact CD2-CD 3.39Å; H216-R260 VanDerWaalsContact CD2-CG 3.41Å; H216-R260 WeakPolarHBondContact CD2-CG 2.94Å; H216-R260 PolarHBondContact CD2-NE 2.79Å; H216-R260 VanDerWaalsContact CD2-NE 3.3Å; H216-Y269 AromaticContact CE1-CE1 3.67Å; H216-Y269 AromaticContact CE1-CZ 3.69Å; H216-Y269 PolarHBondContact CE1-OH 3.04Å; H216-Y269 PolarHBondContact NE2-OH 3.28Å
217G98.9Very high98.4Very high1 Ų127.9 Ų27.91%0.0116%0.16CC..Hα-helixtrans-59.5-43-178.400000112.6T220 Y221 G259G217-T220 PolarHBondContact O-N 2.79Å; G217-Y221 WeakPolarHBondContact O-CB 3.34Å; G217-Y221 PolarHBondContact O-N 3.42Å; G217-G259 PolarHBondContact N-O 2.61Å
218G98.8Very high98.4Very high7 Ų729.6 Ų29.67%0.07217%0.172CC..Hα-helixtrans-64.6-41.7175.700000114H216 Y221 C222H216-G218 VanDerWaalsContact C-N 3.34Å; H216-G218 PolarHBondContact ND1-N 3.19Å; H216-G218 PolarHBondContact O-N 3.05Å; G218-Y221 PolarHBondContact O-N 3.22Å; G218-C222 PolarHBondContact O-N 3.38Å; G218-C222 PolarHBondContact O-SG 3.2Å
219W98.6Very high98.4Very high54 Ų5430.1 Ų30.121%0.20518%0.175CC..Hα-helixtrans-71.4-37.6178.5-50149.4000111.3R170 G208 Q209 H216 C222 A223R170-W219 VanDerWaalsContact CD-CZ3 3.43Å; R170-W219 HydrophobicContact CG-CE3 3.92Å; R170-W219 HydrophobicContact CG-CH2 3.95Å; R170-W219 HydrophobicContact CG-CZ3 3.21Å; G208-W219 VanDerWaalsContact C-CD1 3.45Å; Q209-W219 HydrophobicContact CB-CD2 4.48Å; Q209-W219 HydrophobicContact CB-CG 4.39Å; Q209-W219 HydrophobicContact CG-CZ2 4.38Å; H216-W219 HydrophobicContact CB-CB 4.23Å; H216-W219 HydrophobicContact CB-CD2 4.49Å; H216-W219 HydrophobicContact CB-CG 3.77Å; H216-W219 AromaticContact CG-CD1 4Å; H216-W219 PolarHBondContact O-N 3.26Å; W219-C222 PolarHBondContact O-N 3.15Å; W219-A223 WeakPolarHBondContact O-CB 3.35Å; W219-A223 PolarHBondContact O-N 2.88Å
220T98.9Very high98.6Very high0 Ų027.8 Ų27.80%016%0.164CC..Hα-helixtrans-64.4-41.9175.1-59.60000111.6A206 F207 H216 G217 A223 I224 I245 T276A206-T220 HydrophobicContact CB-CG2 4.37Å; F207-T220 HydrophobicContact CD2-CG2 4.13Å; F207-T220 PolarHBondContact N-OG1 3.42Å; F207-T220 PolarHBondContact O-OG1 3.03Å; H216-T220 VanDerWaalsContact O-CB 3.25Å; H216-T220 WeakPolarHBondContact O-CB 3.26Å; H216-T220 PolarHBondContact O-N 2.91Å; H216-T220 PolarHBondContact O-OG1 3.31Å; G217-T220 PolarHBondContact O-N 2.79Å; T220-A223 PolarHBondContact O-N 2.98Å; T220-I224 HydrophobicContact CG2-CG1 4.47Å; T220-I224 WeakPolarHBondContact O-CB 3.4Å; T220-I224 WeakPolarHBondContact O-CG1 3.41Å; T220-I224 PolarHBondContact O-N 2.69Å; T220-I245 HydrophobicContact CG2-CG2 4.18Å; T220-T276 HydrophobicContact CG2-CG2 4.12Å
221Y98.9Very high98.7Very high0 Ų030.5 Ų30.50%019%0.192CC..Hα-helixtrans-57.2-54.2169.5172.8-95.2000111.8Y173 G217 G218 A223 I224 A225 F271 W272 A275 T276 P339 A340Y173-Y221 HydrophobicContact CD2-CE1 4.42Å; Y173-Y221 HydrophobicContact CE1-CE1 4.2Å; Y173-Y221 AromaticContact CE2-CE1 3.92Å; Y173-Y221 HydrophobicContact CE2-CE1 3.92Å; Y173-Y221 AromaticContact CZ-CE1 3.79Å; Y173-Y221 PolarHBondContact OH-OH 3.05Å; G217-Y221 WeakPolarHBondContact O-CB 3.34Å; G217-Y221 PolarHBondContact O-N 3.42Å; G218-Y221 PolarHBondContact O-N 3.22Å; Y221-A223 VanDerWaalsContact C-N 3.26Å; Y221-A223 PolarHBondContact O-N 3.39Å; Y221-I224 PolarHBondContact O-N 3.48Å; Y221-A225 HydrophobicContact CE1-CB 4.2Å; Y221-A225 HydrophobicContact CE2-CB 4.2Å; Y221-A225 WeakPolarHBondContact O-CB 3.48Å; Y221-A225 PolarHBondContact O-N 2.88Å; Y221-F271 HydrophobicContact CE1-CE1 4.46Å; Y221-F271 AromaticContact CE2-CE1 3.95Å; Y221-F271 HydrophobicContact CE2-CE1 3.95Å; Y221-F271 HydrophobicContact CE2-CZ 4.14Å; Y221-F271 AromaticContact CZ-CE1 3.8Å; Y221-W272 WeakPolarHBondContact CB-O 3.46Å; Y221-W272 AromaticContact CD1-CE3 3.27Å; Y221-W272 HydrophobicContact CD1-CE3 3.27Å; Y221-W272 AromaticContact CD1-CZ3 3.35Å; Y221-W272 HydrophobicContact CD1-CZ3 3.35Å; Y221-W272 HydrophobicContact CD2-CE3 4.22Å; Y221-W272 WeakPolarHBondContact CD2-O 3.33Å; Y221-W272 AromaticContact CE1-CE3 3.67Å; Y221-W272 HydrophobicContact CE1-CE3 3.67Å; Y221-W272 AromaticContact CE1-CZ3 3.36Å; Y221-W272 HydrophobicContact CE1-CZ3 3.36Å; Y221-W272 AromaticContact CG-CE3 3.58Å; Y221-W272 HydrophobicContact CG-CE3 3.58Å; Y221-W272 HydrophobicContact CG-CZ3 4.14Å; Y221-A275 HydrophobicContact CD2-CB 4.06Å; Y221-A275 HydrophobicContact CE2-CB 3.69Å; Y221-T276 WeakPolarHBondContact CA-OG1 3.34Å; Y221-T276 WeakPolarHBondContact CB-OG1 3.39Å; Y221-P339 VanDerWaalsContact CE2-O 3.27Å; Y221-P339 WeakPolarHBondContact CE2-O 3.44Å; Y221-P339 PolarHBondContact OH-O 2.65Å; Y221-A340 PolarHBondContact OH-O 2.66Å; Y221-A340 VanDerWaalsContact OH-O 3.12Å
222C98.9Very high98.7Very high8 Ų830.3 Ų30.35%0.05418%0.176CC..Hα-helixtrans-59.6-40.4-176.5-66.50000111.1I169 Y173 G218 W219 S226I169-C222 HydrophobicContact CB-CB 4.43Å; I169-C222 HydrophobicContact CG2-CB 3.51Å; Y173-C222 HydrophobicContact CG-CB 4.32Å; G218-C222 PolarHBondContact O-N 3.38Å; G218-C222 PolarHBondContact O-SG 3.2Å; W219-C222 PolarHBondContact O-N 3.15Å; C222-S226 VanDerWaalsContact O-CB 3.24Å; C222-S226 WeakPolarHBondContact O-CB 3.47Å; C222-S226 PolarHBondContact O-N 3.46Å; C222-S226 PolarHBondContact O-OG 2.98Å
223A98.9Very high98.7Very high0 Ų027.4 Ų27.40%014%0.141CC..Hα-helixtrans-63.4-55.4176.100000112.5I169 I197 F207 W219 T220 Y221 S226 L227I169-A223 HydrophobicContact CD1-CB 4.32Å; I169-A223 HydrophobicContact CG2-CB 4.16Å; I197-A223 HydrophobicContact CG2-CB 3.81Å; F207-A223 HydrophobicContact CB-CB 3.97Å; F207-A223 HydrophobicContact CD1-CB 3.9Å; F207-A223 HydrophobicContact CD2-CB 3.5Å; F207-A223 VanDerWaalsContact CD2-CB 3.5Å; F207-A223 HydrophobicContact CE1-CB 4.27Å; F207-A223 HydrophobicContact CE2-CB 3.89Å; F207-A223 HydrophobicContact CG-CB 3.5Å; F207-A223 VanDerWaalsContact CG-CB 3.5Å; F207-A223 HydrophobicContact CZ-CB 4.26Å; W219-A223 WeakPolarHBondContact O-CB 3.35Å; W219-A223 PolarHBondContact O-N 2.88Å; T220-A223 PolarHBondContact O-N 2.98Å; Y221-A223 VanDerWaalsContact C-N 3.26Å; Y221-A223 PolarHBondContact O-N 3.39Å; A223-S226 PolarHBondContact O-N 2.92Å; A223-L227 WeakPolarHBondContact O-CG 3.4Å; A223-L227 PolarHBondContact O-N 3.02Å; A223-L227 VanDerWaalsContact O-N 3.08Å
224I98.9Very high98.7Very high0 Ų026.2 Ų26.20%015%0.146CC..Hα-helixtrans-64.5-46.3-177.5-66.5-62.5000111F207 T220 Y221 S226 L227 C228 L233 L237 I245 T276 L279 L280F207-I224 HydrophobicContact CE2-CD1 3.86Å; F207-I224 HydrophobicContact CE2-CG1 4.2Å; T220-I224 HydrophobicContact CG2-CG1 4.47Å; T220-I224 WeakPolarHBondContact O-CB 3.4Å; T220-I224 WeakPolarHBondContact O-CG1 3.41Å; T220-I224 PolarHBondContact O-N 2.69Å; Y221-I224 PolarHBondContact O-N 3.48Å; I224-S226 VanDerWaalsContact C-N 3.33Å; I224-S226 PolarHBondContact O-N 3.4Å; I224-L227 PolarHBondContact O-N 3.11Å; I224-C228 PolarHBondContact O-N 3.23Å; I224-C228 PolarHBondContact O-SG 3.47Å; I224-L233 HydrophobicContact CD1-CD1 3.87Å; I224-L233 HydrophobicContact CG2-CD1 4.44Å; I224-L237 HydrophobicContact CD1-CD1 3.84Å; I224-I245 HydrophobicContact CD1-CD1 4.45Å; I224-I245 HydrophobicContact CD1-CG2 4.39Å; I224-T276 HydrophobicContact CB-CG2 4.14Å; I224-T276 HydrophobicContact CG1-CG2 3.97Å; I224-T276 HydrophobicContact CG2-CG2 4.25Å; I224-L279 HydrophobicContact CG2-CB 3.97Å; I224-L279 HydrophobicContact CG2-CD1 4.09Å; I224-L280 HydrophobicContact CD1-CD2 4.3Å; I224-L280 HydrophobicContact CG2-CD2 4.28Å; I224-L280 HydrophobicContact CG2-CG 4.33Å
225A98.9Very high98.6Very high0 Ų027.3 Ų27.30%015%0.151CC..Hα-helixtrans-61.3-41.5178.100000111.7Y173 Y221 C228 L229 L279 A340Y173-A225 HydrophobicContact CD2-CB 3.9Å; Y173-A225 HydrophobicContact CE2-CB 3.69Å; Y221-A225 HydrophobicContact CE1-CB 4.2Å; Y221-A225 HydrophobicContact CE2-CB 4.2Å; Y221-A225 WeakPolarHBondContact O-CB 3.48Å; Y221-A225 PolarHBondContact O-N 2.88Å; A225-C228 PolarHBondContact O-N 2.79Å; A225-L229 VanDerWaalsContact O-CG 3.24Å; A225-L229 WeakPolarHBondContact O-CG 3.46Å; A225-L229 PolarHBondContact O-N 2.94Å; A225-L279 HydrophobicContact CB-CD1 4.02Å; A225-A340 HydrophobicContact CB-CB 4.35Å
226S98.9Very high98.6Very high0 Ų027.5 Ų27.50%015%0.153CC..Hα-helixtrans-60.3-47.7175.5-59.60000111.9Y173 C222 A223 I224 C228 L229 M230Y173-S226 WeakPolarHBondContact CA-OG 3.17Å; Y173-S226 PolarHBondContact N-OG 3.48Å; C222-S226 VanDerWaalsContact O-CB 3.24Å; C222-S226 WeakPolarHBondContact O-CB 3.47Å; C222-S226 PolarHBondContact O-N 3.46Å; C222-S226 PolarHBondContact O-OG 2.98Å; A223-S226 PolarHBondContact O-N 2.92Å; I224-S226 VanDerWaalsContact C-N 3.33Å; I224-S226 PolarHBondContact O-N 3.4Å; S226-C228 VanDerWaalsContact C-N 3.31Å; S226-C228 PolarHBondContact O-N 3.37Å; S226-L229 PolarHBondContact O-N 2.94Å; S226-M230 WeakPolarHBondContact O-CB 3.25Å; S226-M230 VanDerWaalsContact O-CG 3.24Å; S226-M230 WeakPolarHBondContact O-CG 3.25Å; S226-M230 PolarHBondContact O-N 3.24Å
227L98.9Very high98.6Very high0 Ų026.4 Ų26.40%015%0.148CC..Hα-helixtrans-63.2-37.3178.6-68.2176.6000112.3I194 I197 A223 I224 G231 R232 L233 A236 L237I194-L227 HydrophobicContact CG1-CD2 3.93Å; I194-L227 HydrophobicContact CG2-CD2 4.49Å; I197-L227 HydrophobicContact CD1-CD2 4.06Å; I197-L227 HydrophobicContact CD1-CG 4.17Å; I197-L227 HydrophobicContact CG2-CD1 3.96Å; I197-L227 HydrophobicContact CG2-CD2 4.49Å; I197-L227 HydrophobicContact CG2-CG 4.24Å; A223-L227 WeakPolarHBondContact O-CG 3.4Å; A223-L227 PolarHBondContact O-N 3.02Å; A223-L227 VanDerWaalsContact O-N 3.08Å; I224-L227 PolarHBondContact O-N 3.11Å; L227-G231 PolarHBondContact O-N 3.48Å; L227-R232 PolarHBondContact O-N 3.27Å; L227-L233 HydrophobicContact CB-CB 4.31Å; L227-L233 HydrophobicContact CB-CD1 3.94Å; L227-L233 HydrophobicContact CD1-CD1 4.08Å; L227-L233 PolarHBondContact O-N 3.27Å; L227-A236 HydrophobicContact CD1-CB 3.93Å; L227-A236 HydrophobicContact CD2-CB 3.55Å; L227-A236 HydrophobicContact CG-CB 4.33Å; L227-L237 HydrophobicContact CD1-CD1 3.84Å; L227-L237 HydrophobicContact CD1-CG 4.14Å
228C98.9Very high98.5Very high37 Ų3728.6 Ų28.625%0.2516%0.163CC..Hα-helixtrans-64.7-45.1173.5-690000111.8I224 A225 S226 M230 G231 L279I224-C228 PolarHBondContact O-N 3.23Å; I224-C228 PolarHBondContact O-SG 3.47Å; A225-C228 PolarHBondContact O-N 2.79Å; S226-C228 VanDerWaalsContact C-N 3.31Å; S226-C228 PolarHBondContact O-N 3.37Å; C228-M230 VanDerWaalsContact C-N 3.33Å; C228-M230 PolarHBondContact O-N 3.45Å; C228-G231 PolarHBondContact O-N 2.75Å; C228-L279 HydrophobicContact CB-CD2 4.29Å
229L98.9Very high98.5Very high10 Ų1032.9 Ų32.95%0.05219%0.189CC..Hα-helixtrans-63.6-39.3177.8-68.4169.8000111.8Y173 S177 Y180 W185 A225 S226 G231 A340 L341Y173-L229 HydrophobicContact CE2-CD1 4.21Å; S177-L229 WeakPolarHBondContact OG-CD1 3.42Å; Y180-L229 HydrophobicContact CD1-CD2 4.18Å; Y180-L229 HydrophobicContact CD2-CB 4.02Å; Y180-L229 HydrophobicContact CD2-CD2 3.75Å; Y180-L229 HydrophobicContact CD2-CG 4.49Å; Y180-L229 VanDerWaalsContact CD2-O 3.31Å; Y180-L229 WeakPolarHBondContact CD2-O 3.17Å; Y180-L229 HydrophobicContact CE2-CD2 4.06Å; Y180-L229 HydrophobicContact CG-CB 4.44Å; Y180-L229 HydrophobicContact CG-CD2 3.79Å; W185-L229 HydrophobicContact CH2-CB 4.42Å; W185-L229 WeakPolarHBondContact CZ2-O 3.21Å; A225-L229 VanDerWaalsContact O-CG 3.24Å; A225-L229 WeakPolarHBondContact O-CG 3.46Å; A225-L229 PolarHBondContact O-N 2.94Å; S226-L229 PolarHBondContact O-N 2.94Å; L229-G231 PolarHBondContact O-N 2.83Å; L229-A340 HydrophobicContact CD2-CB 3.85Å; L229-A340 HydrophobicContact CG-CB 3.99Å; L229-L341 HydrophobicContact CD1-CD2 4.07Å; L229-L341 HydrophobicContact CD2-CD1 4.49Å; L229-L341 HydrophobicContact CD2-CD2 3.67Å; L229-L341 HydrophobicContact CD2-CG 3.67Å
230M98.7Very high98.5Very high21 Ų2138.5 Ų38.510%0.10321%0.211CC..Hα-helixtrans-66.6-17.9173.6-67.6166.9-175.500112.8I172 A176 W185 M188 T190 A193 I194 S226 C228 R232I172-M230 HydrophobicContact CG2-CE 4.36Å; A176-M230 HydrophobicContact CB-CE 3.96Å; W185-M230 HydrophobicContact CE3-CG 4.34Å; W185-M230 HydrophobicContact CH2-CB 4.08Å; W185-M230 HydrophobicContact CH2-CG 3.48Å; W185-M230 VanDerWaalsContact CH2-CG 3.48Å; W185-M230 HydrophobicContact CZ2-CG 4.45Å; W185-M230 HydrophobicContact CZ3-CB 4.35Å; W185-M230 HydrophobicContact CZ3-CE 4.29Å; W185-M230 HydrophobicContact CZ3-CG 3.41Å; W185-M230 VanDerWaalsContact CZ3-CG 3.41Å; M188-M230 HydrophobicContact SD-CE 3.84Å; T190-M230 HydrophobicContact CG2-CB 4.47Å; T190-M230 HydrophobicContact CG2-CE 4.49Å; T190-M230 HydrophobicContact CG2-CG 4.06Å; T190-M230 HydrophobicContact CG2-SD 3.87Å; A193-M230 HydrophobicContact CB-CE 4.05Å; I194-M230 HydrophobicContact CD1-SD 4.47Å; I194-M230 HydrophobicContact CG1-SD 4Å; S226-M230 WeakPolarHBondContact O-CB 3.25Å; S226-M230 VanDerWaalsContact O-CG 3.24Å; S226-M230 WeakPolarHBondContact O-CG 3.25Å; S226-M230 PolarHBondContact O-N 3.24Å; C228-M230 VanDerWaalsContact C-N 3.33Å; C228-M230 PolarHBondContact O-N 3.45Å; M230-R232 VanDerWaalsContact C-N 3.33Å; M230-R232 HydrophobicContact CB-CB 4.2Å; M230-R232 HydrophobicContact CB-CG 3.82Å; M230-R232 WeakPolarHBondContact O-CG 3.47Å
231G98.5Very high98.5Very high63 Ų6340.3 Ų40.365%0.64922%0.219SC*.THydrogen-bonded Turntrans7029.1-171.200000113.1L227 C228 L229L227-G231 PolarHBondContact O-N 3.48Å; C228-G231 PolarHBondContact O-N 2.75Å; L229-G231 PolarHBondContact O-N 2.83Å
232R98.5Very high98.5Very high68 Ų6840.6 Ų40.626%0.25722%0.22SC..  trans-125.214.5-170.4-53.2-64.5-75.5-71.4-4.1113.7I194 L227 M230 D234 E235 A236I194-R232 HydrophobicContact CD1-CB 3.95Å; I194-R232 HydrophobicContact CD1-CG 4.05Å; L227-R232 PolarHBondContact O-N 3.27Å; M230-R232 VanDerWaalsContact C-N 3.33Å; M230-R232 HydrophobicContact CB-CB 4.2Å; M230-R232 HydrophobicContact CB-CG 3.82Å; M230-R232 WeakPolarHBondContact O-CG 3.47Å; R232-D234 PolarHBondContact O-N 3.28Å; R232-E235 IonicContact CZ-OE1 3.41Å; R232-E235 IonicContact CZ-OE2 3.58Å; R232-E235 IonicContact NE-OE1 2.74Å; R232-E235 IonicContact NE-OE2 3.75Å; R232-E235 PolarHBondContact NE-OE2 3.33Å; R232-E235 IonicContact NH2-OE1 3.23Å; R232-E235 PolarHBondContact NH2-OE1 2.87Å; R232-E235 IonicContact NH2-OE2 2.66Å; R232-E235 PolarHBondContact NH2-OE2 2.87Å; R232-E235 PolarHBondContact O-N 3.25Å; R232-A236 WeakPolarHBondContact O-CB 3.27Å; R232-A236 PolarHBondContact O-N 3.38Å
233L98.5Very high98.5Very high23 Ų2344.5 Ų44.512%0.1224%0.241CC..Hα-helixtrans-55.9-52.6-178-176.370.6000112.7I224 L227 E235 A236 L237 L242 L280I224-L233 HydrophobicContact CD1-CD1 3.87Å; I224-L233 HydrophobicContact CG2-CD1 4.44Å; L227-L233 HydrophobicContact CB-CB 4.31Å; L227-L233 HydrophobicContact CB-CD1 3.94Å; L227-L233 HydrophobicContact CD1-CD1 4.08Å; L227-L233 PolarHBondContact O-N 3.27Å; L233-E235 VanDerWaalsContact C-N 3.3Å; L233-E235 PolarHBondContact O-N 3.39Å; L233-A236 PolarHBondContact O-N 2.94Å; L233-L237 HydrophobicContact CD1-CD1 3.96Å; L233-L237 PolarHBondContact O-N 3.08Å; L233-L242 HydrophobicContact CD1-CD2 4.04Å; L233-L242 HydrophobicContact CD2-CD2 4.33Å; L233-L242 HydrophobicContact CG-CD2 4.1Å; L233-L280 HydrophobicContact CD2-CD2 4.33Å
234D97.2Very high98.5Very high133 Ų13349.3 Ų49.371%0.71126%0.259SS*.Hα-helixtrans-72.8-22.7-176.4-63.2-52000113.5R232R232-D234 PolarHBondContact O-N 3.28Å
235E96.6Very high98.5Very high125 Ų12549.4 Ų49.458%0.58426%0.259SS*.Hα-helixtrans-77.3-44.8171.4-174.3-172.5141.800110.8R232 L233 L237R232-E235 IonicContact CZ-OE1 3.41Å; R232-E235 IonicContact CZ-OE2 3.58Å; R232-E235 IonicContact NE-OE1 2.74Å; R232-E235 IonicContact NE-OE2 3.75Å; R232-E235 PolarHBondContact NE-OE2 3.33Å; R232-E235 IonicContact NH2-OE1 3.23Å; R232-E235 PolarHBondContact NH2-OE1 2.87Å; R232-E235 IonicContact NH2-OE2 2.66Å; R232-E235 PolarHBondContact NH2-OE2 2.87Å; R232-E235 PolarHBondContact O-N 3.25Å; L233-E235 VanDerWaalsContact C-N 3.3Å; L233-E235 PolarHBondContact O-N 3.39Å; E235-L237 VanDerWaalsContact C-N 3.33Å; E235-L237 PolarHBondContact O-N 3.22Å
236A98.1Very high98.5Very high4 Ų452.7 Ų52.73%0.03327%0.272CS..Hα-helixtrans-77.2-16.4-175.100000112.9I194 R198 L227 R232 L233I194-A236 HydrophobicContact CG2-CB 3.75Å; R198-A236 VanDerWaalsContact CD-O 3.29Å; R198-A236 WeakPolarHBondContact CD-O 3.27Å; R198-A236 PolarHBondContact NH1-O 3.28Å; L227-A236 HydrophobicContact CD1-CB 3.93Å; L227-A236 HydrophobicContact CD2-CB 3.55Å; L227-A236 HydrophobicContact CG-CB 4.33Å; R232-A236 WeakPolarHBondContact O-CB 3.27Å; R232-A236 PolarHBondContact O-N 3.38Å; L233-A236 PolarHBondContact O-N 2.94Å
237L98.5Very high98.5Very high1 Ų160.9 Ų60.91%0.00530%0.303CS..SBendtrans-142.5127.4-179-63.6170.7000110.9F207 I224 L227 L233 E235 E241 L242 I245F207-L237 HydrophobicContact CE2-CD1 4.42Å; F207-L237 HydrophobicContact CZ-CD1 3.99Å; F207-L237 HydrophobicContact CZ-CD2 4.02Å; I224-L237 HydrophobicContact CD1-CD1 3.84Å; L227-L237 HydrophobicContact CD1-CD1 3.84Å; L227-L237 HydrophobicContact CD1-CG 4.14Å; L233-L237 HydrophobicContact CD1-CD1 3.96Å; L233-L237 PolarHBondContact O-N 3.08Å; E235-L237 VanDerWaalsContact C-N 3.33Å; E235-L237 PolarHBondContact O-N 3.22Å; L237-E241 HydrophobicContact CB-CB 4.45Å; L237-E241 HydrophobicContact CD2-CB 4.37Å; L237-L242 HydrophobicContact CB-CD2 3.84Å; L237-L242 HydrophobicContact CB-CG 3.93Å; L237-L242 HydrophobicContact CD1-CD2 3.76Å; L237-L242 HydrophobicContact CG-CD2 4.48Å; L237-I245 HydrophobicContact CD1-CD1 3.75Å; L237-I245 HydrophobicContact CD2-CD1 4.33Å
238S98.4Very high98.5Very high47 Ų4761.7 Ų61.733%0.32931%0.306SS..  trans-65.6156.5175.165.30000111.9R240 E241 L242S238-R240 PolarHBondContact O-N 3.14Å; S238-E241 WeakPolarHBondContact CB-OE2 3.47Å; S238-E241 PolarHBondContact N-OE2 3.21Å; S238-E241 PolarHBondContact O-N 3.5Å; S238-E241 WeakPolarHBondContact OG-CG 3.46Å; S238-E241 PolarHBondContact OG-N 3.27Å; S238-E241 PolarHBondContact OG-OE2 3.47Å; S238-L242 PolarHBondContact O-N 3.05Å
239P98.6Very high98.5Very high96 Ų9660 Ų6062%0.62329%0.294SS*.Hα-helixtrans-54.1-32.3174.7-28.735.5000113.7N243P239-N243 WeakPolarHBondContact O-CB 3.19Å; P239-N243 VanDerWaalsContact O-CG 3.27Å; P239-N243 PolarHBondContact O-N 2.97Å; P239-N243 PolarHBondContact O-ND2 3.47Å
240R98.5Very high98.5Very high172 Ų17262.1 Ų62.165%0.64931%0.305SS*.Hα-helixtrans-69.1-42.9176.1-173.8-178.2-177-174.23.3111.9S238 R244S238-R240 PolarHBondContact O-N 3.14Å; R240-R244 VanDerWaalsContact NH2-NH2 3.15Å; R240-R244 WeakPolarHBondContact O-CD 3.37Å; R240-R244 VanDerWaalsContact O-CG 3.28Å; R240-R244 WeakPolarHBondContact O-CG 3.5Å; R240-R244 PolarHBondContact O-N 3.42Å
241E98.7Very high98.5Very high38 Ų3866.3 Ų66.318%0.17833%0.326CS..Hα-helixtrans-64.3-47.4175.5-73.3161.3137.300110.2R198 L201 L237 S238 N243 R244 I245R198-E241 IonicContact CZ-OE1 2.68Å; R198-E241 IonicContact NH1-OE1 3.19Å; R198-E241 PolarHBondContact NH1-OE1 2.91Å; R198-E241 IonicContact NH1-OE2 3.63Å; R198-E241 IonicContact NH2-OE1 2.67Å; R198-E241 PolarHBondContact NH2-OE1 3.49Å; L201-E241 HydrophobicContact CD2-CG 4.35Å; L237-E241 HydrophobicContact CB-CB 4.45Å; L237-E241 HydrophobicContact CD2-CB 4.37Å; S238-E241 WeakPolarHBondContact CB-OE2 3.47Å; S238-E241 PolarHBondContact N-OE2 3.21Å; S238-E241 PolarHBondContact O-N 3.5Å; S238-E241 WeakPolarHBondContact OG-CG 3.46Å; S238-E241 PolarHBondContact OG-N 3.27Å; S238-E241 PolarHBondContact OG-OE2 3.47Å; E241-N243 VanDerWaalsContact C-N 3.33Å; E241-N243 PolarHBondContact O-N 3.43Å; E241-R244 WeakPolarHBondContact O-CB 3.46Å; E241-R244 PolarHBondContact O-N 3.23Å; E241-I245 WeakPolarHBondContact O-CG1 3.36Å; E241-I245 PolarHBondContact O-N 3.42Å
242L98.8Very high98.5Very high6 Ų664 Ų643%0.03130%0.298CS..Hα-helixtrans-56-44.8176.6-68.8172.8000112.2L233 L237 S238 R244 I245 R246 L280L233-L242 HydrophobicContact CD1-CD2 4.04Å; L233-L242 HydrophobicContact CD2-CD2 4.33Å; L233-L242 HydrophobicContact CG-CD2 4.1Å; L237-L242 HydrophobicContact CB-CD2 3.84Å; L237-L242 HydrophobicContact CB-CG 3.93Å; L237-L242 HydrophobicContact CD1-CD2 3.76Å; L237-L242 HydrophobicContact CG-CD2 4.48Å; S238-L242 PolarHBondContact O-N 3.05Å; L242-R244 VanDerWaalsContact C-N 3.29Å; L242-R244 PolarHBondContact O-N 2.9Å; L242-I245 PolarHBondContact O-N 3.32Å; L242-R246 WeakPolarHBondContact O-CB 3.32Å; L242-R246 VanDerWaalsContact O-CG 3.27Å; L242-R246 WeakPolarHBondContact O-CG 3.4Å; L242-R246 PolarHBondContact O-N 2.93Å; L242-L280 HydrophobicContact CD2-CD2 3.9Å
243N98.8Very high98.5Very high91 Ų9162.2 Ų62.249%0.48729%0.292SS..Hα-helixtrans-62.9-33.7176.5-76.5-23000113.6P239 E241 R246 R247P239-N243 WeakPolarHBondContact O-CB 3.19Å; P239-N243 VanDerWaalsContact O-CG 3.27Å; P239-N243 PolarHBondContact O-N 2.97Å; P239-N243 PolarHBondContact O-ND2 3.47Å; E241-N243 VanDerWaalsContact C-N 3.33Å; E241-N243 PolarHBondContact O-N 3.43Å; N243-R246 PolarHBondContact OD1-NH1 3.36Å; N243-R247 PolarHBondContact O-N 3.17Å; N243-R247 VanDerWaalsContact O-N 3.12Å
244R98.8Very high98.5Very high101 Ų10166.8 Ų66.838%0.38131%0.313SS..Hα-helixtrans-74.1-38.3176.4-67.7164158.9-170.3-4.8111.7N205 R240 E241 L242 R247 W248N205-R244 HydrophobicContact CB-CB 3.49Å; N205-R244 VanDerWaalsContact CB-CB 3.49Å; N205-R244 HydrophobicContact CB-CG 4.44Å; N205-R244 WeakPolarHBondContact OD1-CD 3.49Å; R240-R244 VanDerWaalsContact NH2-NH2 3.15Å; R240-R244 WeakPolarHBondContact O-CD 3.37Å; R240-R244 VanDerWaalsContact O-CG 3.28Å; R240-R244 WeakPolarHBondContact O-CG 3.5Å; R240-R244 PolarHBondContact O-N 3.42Å; E241-R244 WeakPolarHBondContact O-CB 3.46Å; E241-R244 PolarHBondContact O-N 3.23Å; L242-R244 VanDerWaalsContact C-N 3.29Å; L242-R244 PolarHBondContact O-N 2.9Å; R244-R247 WeakPolarHBondContact O-CB 3.2Å; R244-R247 PolarHBondContact O-N 2.9Å; R244-W248 PolarHBondContact O-N 3.27Å
245I98.9Very high98.4Very high1 Ų162.9 Ų62.91%0.00530%0.296CS..Hα-helixtrans-64.4-44.8174.1-64.2159.2000110.5L201 N205 F207 T220 I224 L237 E241 L242 R247 W248 C249 L280L201-I245 HydrophobicContact CD1-CD1 4.25Å; L201-I245 HydrophobicContact CD1-CG1 4.21Å; N205-I245 VanDerWaalsContact O-CA 3.31Å; N205-I245 WeakPolarHBondContact O-CA 3.35Å; N205-I245 WeakPolarHBondContact O-CG1 3.24Å; F207-I245 HydrophobicContact CE2-CD1 3.82Å; F207-I245 HydrophobicContact CE2-CG1 4.49Å; F207-I245 HydrophobicContact CZ-CD1 4.11Å; T220-I245 HydrophobicContact CG2-CG2 4.18Å; I224-I245 HydrophobicContact CD1-CD1 4.45Å; I224-I245 HydrophobicContact CD1-CG2 4.39Å; L237-I245 HydrophobicContact CD1-CD1 3.75Å; L237-I245 HydrophobicContact CD2-CD1 4.33Å; E241-I245 WeakPolarHBondContact O-CG1 3.36Å; E241-I245 PolarHBondContact O-N 3.42Å; L242-I245 PolarHBondContact O-N 3.32Å; I245-R247 VanDerWaalsContact C-N 3.29Å; I245-R247 PolarHBondContact O-N 3.37Å; I245-W248 PolarHBondContact O-N 3.08Å; I245-W248 VanDerWaalsContact O-N 3.12Å; I245-C249 WeakPolarHBondContact O-CB 3.5Å; I245-C249 PolarHBondContact O-N 2.86Å; I245-C249 PolarHBondContact O-SG 3.32Å; I245-L280 HydrophobicContact CG2-CD1 3.82Å
246R98.9Very high98.5Very high69 Ų6957 Ų5726%0.2627%0.268SS..Hα-helixtrans-52.7-48.1172.1-73.7169.8176.1134.33.9111.2L242 N243 C249 I250 L280 V282L242-R246 WeakPolarHBondContact O-CB 3.32Å; L242-R246 VanDerWaalsContact O-CG 3.27Å; L242-R246 WeakPolarHBondContact O-CG 3.4Å; L242-R246 PolarHBondContact O-N 2.93Å; N243-R246 PolarHBondContact OD1-NH1 3.36Å; R246-C249 PolarHBondContact O-N 3.11Å; R246-I250 WeakPolarHBondContact O-CG2 3.34Å; R246-I250 PolarHBondContact O-N 3.43Å; R246-L280 HydrophobicContact CG-CB 3.93Å; R246-L280 HydrophobicContact CG-CD1 4.05Å; R246-L280 HydrophobicContact CG-CG 4.5Å; R246-L280 PolarHBondContact NE-O 3Å; R246-L280 PolarHBondContact NH2-O 3.29Å; R246-L280 VanDerWaalsContact NH2-O 3.14Å; R246-V282 HydrophobicContact CB-CG2 4.22Å; R246-V282 HydrophobicContact CG-CG1 4.08Å; R246-V282 HydrophobicContact CG-CG2 3.84Å
247R98.9Very high98.5Very high173 Ų17356.8 Ų56.865%0.65327%0.267SS*.Hα-helixtrans-60-46176.5178.563.767.986.13.1111.9N243 R244 I245 I250 M251N243-R247 PolarHBondContact O-N 3.17Å; N243-R247 VanDerWaalsContact O-N 3.12Å; R244-R247 WeakPolarHBondContact O-CB 3.2Å; R244-R247 PolarHBondContact O-N 2.9Å; I245-R247 VanDerWaalsContact C-N 3.29Å; I245-R247 PolarHBondContact O-N 3.37Å; R247-I250 WeakPolarHBondContact O-CG2 3.38Å; R247-M251 WeakPolarHBondContact O-CB 3.27Å; R247-M251 WeakPolarHBondContact O-CG 3.38Å; R247-M251 PolarHBondContact O-N 2.96Å
248W98.9Very high98.5Very high17 Ų1757.1 Ų57.16%0.06427%0.268CS..Hα-helixtrans-63.1-44.3179.9-173.799.2000111.8D204 A206 S215 R244 I245 M251 R252D204-W248 VanDerWaalsContact O-CD1 3.24Å; D204-W248 PolarHBondContact OD2-NE1 2.92Å; A206-W248 HydrophobicContact CB-CB 3.98Å; A206-W248 HydrophobicContact CB-CD2 3.14Å; A206-W248 HydrophobicContact CB-CE3 3.36Å; A206-W248 HydrophobicContact CB-CG 3.41Å; A206-W248 VanDerWaalsContact CB-CG 3.41Å; A206-W248 HydrophobicContact CB-CH2 4.25Å; A206-W248 HydrophobicContact CB-CZ2 4.07Å; A206-W248 HydrophobicContact CB-CZ3 3.93Å; S215-W248 WeakPolarHBondContact OG-CZ2 3.24Å; S215-W248 PolarHBondContact OG-NE1 3.47Å; R244-W248 PolarHBondContact O-N 3.27Å; I245-W248 PolarHBondContact O-N 3.08Å; I245-W248 VanDerWaalsContact O-N 3.12Å; W248-M251 PolarHBondContact O-N 2.76Å; W248-R252 HydrophobicContact CE3-CG 4.09Å; W248-R252 HydrophobicContact CH2-CG 4.34Å; W248-R252 HydrophobicContact CZ3-CG 3.86Å; W248-R252 WeakPolarHBondContact O-CG 3.14Å; W248-R252 PolarHBondContact O-NE 3.12Å
249C98.9Very high98.5Very high1 Ų155 Ų551%0.00725%0.254CS..Hα-helixtrans-65.5-45.5-179.3-65.60000112.2I245 R246 M251 R252 V273 L277I245-C249 WeakPolarHBondContact O-CB 3.5Å; I245-C249 PolarHBondContact O-N 2.86Å; I245-C249 PolarHBondContact O-SG 3.32Å; R246-C249 PolarHBondContact O-N 3.11Å; C249-M251 VanDerWaalsContact C-N 3.26Å; C249-M251 PolarHBondContact O-N 3.46Å; C249-R252 WeakPolarHBondContact O-CB 3.33Å; C249-R252 WeakPolarHBondContact O-CG 3.27Å; C249-R252 PolarHBondContact O-N 2.81Å; C249-V273 HydrophobicContact CB-CG1 4.16Å; C249-V273 WeakPolarHBondContact O-CG1 3.49Å; C249-L277 HydrophobicContact CB-CD2 3.47Å; C249-L277 VanDerWaalsContact CB-CD2 3.47Å; C249-L277 HydrophobicContact CB-CG 3.93Å
250I98.8Very high98.5Very high54 Ų5454.2 Ų54.228%0.27724%0.239SC..Hα-helixtrans-67-32.3-179.2-160.8168.3000111.5R246 R247 R252 Q253 L277 F285 T286R246-I250 WeakPolarHBondContact O-CG2 3.34Å; R246-I250 PolarHBondContact O-N 3.43Å; R247-I250 WeakPolarHBondContact O-CG2 3.38Å; I250-R252 PolarHBondContact O-N 3.39Å; I250-Q253 PolarHBondContact O-N 2.85Å; I250-L277 HydrophobicContact CB-CD2 4.22Å; I250-F285 HydrophobicContact CD1-CB 4.28Å; I250-T286 HydrophobicContact CG1-CG2 4.31Å
251M98.8Very high98.5Very high109 Ų10948.2 Ų48.254%0.53722%0.222SC..THydrogen-bonded Turntrans-68.4-2.2174.4-69.9-64.2-60.700113.5R247 W248 C249 Q253R247-M251 WeakPolarHBondContact O-CB 3.27Å; R247-M251 WeakPolarHBondContact O-CG 3.38Å; R247-M251 PolarHBondContact O-N 2.96Å; W248-M251 PolarHBondContact O-N 2.76Å; C249-M251 VanDerWaalsContact C-N 3.26Å; C249-M251 PolarHBondContact O-N 3.46Å; M251-Q253 VanDerWaalsContact C-N 3.34Å
252R98.8Very high98.5Very high16 Ų1654.3 Ų54.36%0.0626%0.256CS..THydrogen-bonded Turntrans-81.7-15.6173.8-55.6-5877-137.7-13.1112.9W248 C249 I250 F257 H258 R260 P261 V273W248-R252 HydrophobicContact CE3-CG 4.09Å; W248-R252 HydrophobicContact CH2-CG 4.34Å; W248-R252 HydrophobicContact CZ3-CG 3.86Å; W248-R252 WeakPolarHBondContact O-CG 3.14Å; W248-R252 PolarHBondContact O-NE 3.12Å; C249-R252 WeakPolarHBondContact O-CB 3.33Å; C249-R252 WeakPolarHBondContact O-CG 3.27Å; C249-R252 PolarHBondContact O-N 2.81Å; I250-R252 PolarHBondContact O-N 3.39Å; R252-F257 HydrophobicContact CB-CD1 3.99Å; R252-F257 WeakPolarHBondContact O-CA 3.31Å; R252-H258 VanDerWaalsContact CA-CD2 3.46Å; R252-H258 WeakPolarHBondContact CA-CD2 3.44Å; R252-H258 PolarHBondContact NH1-CD2 2.87Å; R252-H258 PolarHBondContact NH1-CE1 3.3Å; R252-H258 PolarHBondContact NH1-NE2 3.09Å; R252-H258 PolarHBondContact NH2-NE2 2.93Å; R252-H258 PolarHBondContact O-CD2 3.49Å; R252-H258 PolarHBondContact O-N 3.01Å; R252-H258 VanDerWaalsContact O-N 3.09Å; R252-R260 PolarHBondContact NH1-O 2.85Å; R252-P261 VanDerWaalsContact NH1-CD 3.28Å; R252-V273 HydrophobicContact CB-CG1 3.95Å; R252-V273 HydrophobicContact CB-CG2 4.21Å; R252-V273 HydrophobicContact CG-CG1 4Å; R252-V273 HydrophobicContact CG-CG2 4.1Å
253Q98.8Very high98.5Very high30 Ų3059.3 Ų59.314%0.1428%0.277CS..BIsolated β-bridgetrans-75131.7178.1-163.5174.819.500110.4I250 M251 G256 F257 H287I250-Q253 PolarHBondContact O-N 2.85Å; M251-Q253 VanDerWaalsContact C-N 3.34Å; Q253-G256 CarbonylContact C-O 3.1Å; Q253-G256 WeakPolarHBondContact CA-O 3.26Å; Q253-F257 HydrophobicContact CB-CD1 4.02Å; Q253-F257 HydrophobicContact CB-CE1 3.6Å; Q253-F257 HydrophobicContact CB-CZ 3.91Å; Q253-F257 HydrophobicContact CG-CE1 4.07Å; Q253-F257 HydrophobicContact CG-CE2 4.15Å; Q253-F257 HydrophobicContact CG-CZ 3.86Å; Q253-H287 PolarHBondContact NE2-O 2.65Å
254Q97.9Very high98.5Very high118 Ų11858.5 Ų58.555%0.55128%0.277SS*.SBendtrans-121.4-95.6167.1-58.1-65.1-60.400107.1G256 V265Q254-G256 PolarHBondContact N-O 2.85Å; Q254-V265 HydrophobicContact CB-CG1 3.81Å; Q254-V265 HydrophobicContact CG-CG1 4.19Å
255S94.9Very high98.5Very high52 Ų5254.8 Ų54.836%0.36427%0.265SS..SBendtrans-88.5-62.5160.250.90000110.1K290 N291S255-K290 CarbonylContact O-C 3.57Å; S255-K290 VanDerWaalsContact O-O 3.1Å; S255-N291 WeakPolarHBondContact O-CA 3.31Å; S255-N291 PolarHBondContact O-N 3.22Å
256G97.9Very high98.5Very high0 Ų055 Ų550%027%0.267CS..SBendtrans-91.7-149.7158.800000112Q253 Q254Q253-G256 CarbonylContact C-O 3.1Å; Q253-G256 WeakPolarHBondContact CA-O 3.26Å; Q254-G256 PolarHBondContact N-O 2.85Å
257F98.9Very high98.5Very high0 Ų051.7 Ų51.70%025%0.254CS..BIsolated β-bridgetrans-113.5146.3176.7-69.1-97.2000111.5R252 Q253 V265 D266 V273 L277 T286 N291R252-F257 HydrophobicContact CB-CD1 3.99Å; R252-F257 WeakPolarHBondContact O-CA 3.31Å; Q253-F257 HydrophobicContact CB-CD1 4.02Å; Q253-F257 HydrophobicContact CB-CE1 3.6Å; Q253-F257 HydrophobicContact CB-CZ 3.91Å; Q253-F257 HydrophobicContact CG-CE1 4.07Å; Q253-F257 HydrophobicContact CG-CE2 4.15Å; Q253-F257 HydrophobicContact CG-CZ 3.86Å; F257-V265 CarbonylContact O-C 3.53Å; F257-V265 VanDerWaalsContact O-CA 3.29Å; F257-V265 WeakPolarHBondContact O-CA 3.23Å; F257-D266 PolarHBondContact O-N 3.41Å; F257-V273 HydrophobicContact CB-CB 4.36Å; F257-V273 HydrophobicContact CD1-CB 3.84Å; F257-V273 HydrophobicContact CD1-CG1 3.66Å; F257-V273 HydrophobicContact CE1-CB 4.49Å; F257-V273 HydrophobicContact CE1-CG1 3.99Å; F257-V273 HydrophobicContact CG-CB 4.28Å; F257-L277 HydrophobicContact CE1-CD1 3.84Å; F257-L277 HydrophobicContact CZ-CD1 4.26Å; F257-T286 HydrophobicContact CZ-CG2 4.12Å; F257-N291 HydrophobicContact CE2-CB 4.26Å
258H98.8Very high98.5Very high9 Ų943.9 Ų43.94%0.04223%0.226CC..  trans-111.4154.3168.564.5-175.4000112.2R252 R260 K263 P264 V265R252-H258 VanDerWaalsContact CA-CD2 3.46Å; R252-H258 WeakPolarHBondContact CA-CD2 3.44Å; R252-H258 PolarHBondContact NH1-CD2 2.87Å; R252-H258 PolarHBondContact NH1-CE1 3.3Å; R252-H258 PolarHBondContact NH1-NE2 3.09Å; R252-H258 PolarHBondContact NH2-NE2 2.93Å; R252-H258 PolarHBondContact O-CD2 3.49Å; R252-H258 PolarHBondContact O-N 3.01Å; R252-H258 VanDerWaalsContact O-N 3.09Å; H258-R260 PolarHBondContact CE1-O 3.33Å; H258-R260 PolarHBondContact ND1-O 3.36Å; H258-R260 PolarHBondContact O-N 3.43Å; H258-K263 WeakPolarHBondContact CB-O 3.48Å; H258-K263 PolarHBondContact ND1-O 2.99Å; H258-P264 VanDerWaalsContact CB-O 3.27Å; H258-P264 WeakPolarHBondContact CB-O 3.34Å; H258-V265 HydrophobicContact CB-CG1 4.38Å
259G98.6Very high98.5Very high3 Ų344.4 Ų44.43%0.03123%0.228CC..SBendtrans-72.1-26-178.900000114.7H216 G217 Y269H216-G259 CarbonylContact C-O 3.59Å; H216-G259 WeakPolarHBondContact CA-O 3.5Å; G217-G259 PolarHBondContact N-O 2.61Å; G259-Y269 VanDerWaalsContact N-CD2 3.34Å
260R98.6Very high98.5Very high78 Ų7844.4 Ų44.429%0.29423%0.228SC..SBendtrans-154.4155.7-170.3-69.9-176.2-84.5174.6-6.7112.5E214 S215 H216 R252 H258 K263E214-R260 WeakPolarHBondContact OE1-CD 3.1Å; E214-R260 VanDerWaalsContact OE2-CD 3.25Å; E214-R260 WeakPolarHBondContact OE2-CD 3.43Å; E214-R260 IonicContact OE2-CZ 3.73Å; E214-R260 IonicContact OE2-NE 3.19Å; E214-R260 IonicContact OE2-NH1 3.92Å; E214-R260 PolarHBondContact OE2-NH1 3.46Å; S215-R260 VanDerWaalsContact O-CG 3.3Å; S215-R260 WeakPolarHBondContact O-CG 3.29Å; H216-R260 HydrophobicContact CB-CG 4.21Å; H216-R260 VanDerWaalsContact CD2-CD 3.46Å; H216-R260 WeakPolarHBondContact CD2-CD 3.39Å; H216-R260 VanDerWaalsContact CD2-CG 3.41Å; H216-R260 WeakPolarHBondContact CD2-CG 2.94Å; H216-R260 PolarHBondContact CD2-NE 2.79Å; H216-R260 VanDerWaalsContact CD2-NE 3.3Å; R252-R260 PolarHBondContact NH1-O 2.85Å; H258-R260 PolarHBondContact CE1-O 3.33Å; H258-R260 PolarHBondContact ND1-O 3.36Å; H258-R260 PolarHBondContact O-N 3.43Å; R260-K263 HydrophobicContact CB-CG 4.01Å; R260-K263 PolarHBondContact O-N 2.6Å
261P98.7Very high98.5Very high46 Ų4641.8 Ų41.830%0.29922%0.215SC..THydrogen-bonded Turntrans-56.7141.7-178.8-2836.1000111.4R252 K263R252-P261 VanDerWaalsContact NH1-CD 3.28Å; P261-K263 PolarHBondContact O-N 2.87Å; P261-K263 VanDerWaalsContact O-N 3.14Å
262N98.4Very high98.5Very high166 Ų16639 Ų3989%0.88820%0.198SC*.THydrogen-bonded Turntrans59.620179.5-53.7-43.2000115.8
263K98.6Very high98.5Very high111 Ų11138.4 Ų38.448%0.48320%0.196SC..SBendtrans-102.1154.8169.4-65.6-64.4-69.7-179.80111.1H258 R260 P261H258-K263 WeakPolarHBondContact CB-O 3.48Å; H258-K263 PolarHBondContact ND1-O 2.99Å; R260-K263 HydrophobicContact CB-CG 4.01Å; R260-K263 PolarHBondContact O-N 2.6Å; P261-K263 PolarHBondContact O-N 2.87Å; P261-K263 VanDerWaalsContact O-N 3.14Å
264P98.4Very high98.5Very high74 Ų7437 Ų3748%0.48119%0.189SC..PPolyproline II helixtrans-63.3152.817327.5-35.3000111H258 W309H258-P264 VanDerWaalsContact CB-O 3.27Å; H258-P264 WeakPolarHBondContact CB-O 3.34Å; P264-W309 HydrophobicContact CG-CZ2 3.98Å
265V98.6Very high98.5Very high23 Ų2331.3 Ų31.314%0.13916%0.163CC..PPolyproline II helixtrans-61.6156.9169.3-68.10000111.1Q254 F257 H258 F294 W309Q254-V265 HydrophobicContact CB-CG1 3.81Å; Q254-V265 HydrophobicContact CG-CG1 4.19Å; F257-V265 CarbonylContact O-C 3.53Å; F257-V265 VanDerWaalsContact O-CA 3.29Å; F257-V265 WeakPolarHBondContact O-CA 3.23Å; H258-V265 HydrophobicContact CB-CG1 4.38Å; V265-F294 HydrophobicContact CB-CE1 4.19Å; V265-F294 HydrophobicContact CB-CE2 4.12Å; V265-F294 HydrophobicContact CB-CZ 3.8Å; V265-F294 HydrophobicContact CG2-CD2 3.93Å; V265-F294 HydrophobicContact CG2-CE1 4.23Å; V265-F294 HydrophobicContact CG2-CE2 3.27Å; V265-F294 HydrophobicContact CG2-CZ 3.44Å; V265-F294 VanDerWaalsContact CG2-CZ 3.44Å; V265-W309 PolarHBondContact O-NE1 3.04Å
266D98.8Very high98.7Very high6 Ų628.9 Ų28.93%0.03215%0.146CC..  trans-154.6130.1-178.9165.5-11.1000108.2F257 C268 Y269 K308 H318F257-D266 PolarHBondContact O-N 3.41Å; D266-C268 VanDerWaalsContact CG-SG 3.51Å; D266-C268 PolarHBondContact O-N 3.17Å; D266-C268 VanDerWaalsContact O-N 3.07Å; D266-C268 PolarHBondContact OD1-N 3.43Å; D266-C268 PolarHBondContact OD1-SG 2.87Å; D266-Y269 HydrophobicContact CB-CD2 3.71Å; D266-Y269 HydrophobicContact CB-CE2 3.85Å; D266-Y269 PolarHBondContact O-N 3.49Å; D266-K308 WeakPolarHBondContact CA-O 3.29Å; D266-K308 HydrophobicContact CB-CD 4.28Å; D266-K308 HydrophobicContact CB-CG 3.91Å; D266-K308 VanDerWaalsContact CG-CG 3.44Å; D266-K308 VanDerWaalsContact OD2-CD 3.24Å; D266-K308 WeakPolarHBondContact OD2-CD 3.38Å; D266-K308 WeakPolarHBondContact OD2-CE 3.49Å; D266-K308 IonicContact OD2-NZ 2.72Å; D266-K308 PolarHBondContact OD2-NZ 3.17Å; D266-H318 IonicContact OD1-CD2 3.52Å; D266-H318 PolarHBondContact OD1-CD2 3.23Å; D266-H318 VanDerWaalsContact OD1-CD2 3.31Å; D266-H318 IonicContact OD1-NE2 2.69Å; D266-H318 PolarHBondContact OD1-NE2 3.16Å; D266-H318 IonicContact OD2-NE2 3.49Å
267T98.9Very high98.8Very high0 Ų028.9 Ų28.90%015%0.146CC..THydrogen-bonded Turntrans-47.4-39.3-174.7-57.60000113.4Y269 S270 I295 T298 F306 A307 K308T267-Y269 PolarHBondContact O-N 3.44Å; T267-S270 WeakPolarHBondContact O-CB 3.42Å; T267-S270 PolarHBondContact O-N 3.1Å; T267-S270 VanDerWaalsContact O-N 3.08Å; T267-I295 HydrophobicContact CG2-CG2 4.26Å; T267-T298 WeakPolarHBondContact OG1-CB 3.47Å; T267-T298 VanDerWaalsContact OG1-CG2 3.24Å; T267-T298 WeakPolarHBondContact OG1-CG2 3.28Å; T267-T298 PolarHBondContact OG1-OG1 3.39Å; T267-F306 HydrophobicContact CG2-CB 4.3Å; T267-A307 VanDerWaalsContact CB-O 3.22Å; T267-A307 WeakPolarHBondContact CB-O 3.44Å; T267-A307 PolarHBondContact OG1-O 2.8Å; T267-K308 PolarHBondContact N-O 2.87Å; T267-K308 VanDerWaalsContact N-O 3.17Å; T267-K308 PolarHBondContact OG1-O 2.61Å
268C98.9Very high98.8Very high8 Ų831.5 Ų31.55%0.05416%0.158CC..THydrogen-bonded Turntrans-64.9-25.1-175.768.50000113.2D266 S270 F271 W272 L317 L321D266-C268 VanDerWaalsContact CG-SG 3.51Å; D266-C268 PolarHBondContact O-N 3.17Å; D266-C268 VanDerWaalsContact O-N 3.07Å; D266-C268 PolarHBondContact OD1-N 3.43Å; D266-C268 PolarHBondContact OD1-SG 2.87Å; C268-S270 VanDerWaalsContact C-N 3.27Å; C268-S270 PolarHBondContact O-N 3.25Å; C268-F271 PolarHBondContact O-N 2.95Å; C268-F271 VanDerWaalsContact O-N 3.16Å; C268-W272 PolarHBondContact O-N 3.04Å; C268-L317 HydrophobicContact CB-CD2 3.99Å; C268-L321 HydrophobicContact CB-CB 4.13Å; C268-L321 HydrophobicContact CB-CD1 3.68Å
269Y98.9Very high98.8Very high29 Ų2932.9 Ų32.911%0.11417%0.165CC..Hα-helixtrans-74.9-16.3177.5-65.5-70.1000113.6H216 G259 D266 T267 F271 W272 V273 G274H216-Y269 AromaticContact CE1-CE1 3.67Å; H216-Y269 AromaticContact CE1-CZ 3.69Å; H216-Y269 PolarHBondContact CE1-OH 3.04Å; H216-Y269 PolarHBondContact NE2-OH 3.28Å; G259-Y269 VanDerWaalsContact N-CD2 3.34Å; D266-Y269 HydrophobicContact CB-CD2 3.71Å; D266-Y269 HydrophobicContact CB-CE2 3.85Å; D266-Y269 PolarHBondContact O-N 3.49Å; T267-Y269 PolarHBondContact O-N 3.44Å; Y269-F271 PolarHBondContact O-N 3.29Å; Y269-W272 HydrophobicContact CD1-CB 3.97Å; Y269-W272 AromaticContact CD1-CD1 4Å; Y269-W272 HydrophobicContact CD1-CG 4.38Å; Y269-W272 PolarHBondContact O-N 3.29Å; Y269-V273 HydrophobicContact CD1-CG2 4.12Å; Y269-V273 WeakPolarHBondContact O-CB 3.43Å; Y269-V273 PolarHBondContact O-N 3.18Å; Y269-G274 PolarHBondContact O-N 3.41Å
270S98.9Very high98.8Very high0 Ų032.9 Ų32.90%017%0.165CC..Hα-helixtrans-60.7-26.6168.3-62.30000111.4T267 C268 G274 N291T267-S270 WeakPolarHBondContact O-CB 3.42Å; T267-S270 PolarHBondContact O-N 3.1Å; T267-S270 VanDerWaalsContact O-N 3.08Å; C268-S270 VanDerWaalsContact C-N 3.27Å; C268-S270 PolarHBondContact O-N 3.25Å; S270-G274 WeakPolarHBondContact O-CA 3.26Å; S270-N291 WeakPolarHBondContact CB-OD1 3.12Å; S270-N291 PolarHBondContact OG-OD1 3.43Å
271F98.9Very high98.8Very high0 Ų034.7 Ų34.70%018%0.18CC..Hα-helixtrans-89-55.9164179.1-101000112.7Y221 C268 Y269 V273 G274 A275 L321 C324 L328 V337 N342Y221-F271 HydrophobicContact CE1-CE1 4.46Å; Y221-F271 AromaticContact CE2-CE1 3.95Å; Y221-F271 HydrophobicContact CE2-CE1 3.95Å; Y221-F271 HydrophobicContact CE2-CZ 4.14Å; Y221-F271 AromaticContact CZ-CE1 3.8Å; C268-F271 PolarHBondContact O-N 2.95Å; C268-F271 VanDerWaalsContact O-N 3.16Å; Y269-F271 PolarHBondContact O-N 3.29Å; F271-V273 PolarHBondContact O-N 2.85Å; F271-G274 PolarHBondContact O-N 3.3Å; F271-A275 HydrophobicContact CD2-CB 4Å; F271-A275 HydrophobicContact CE1-CB 4.42Å; F271-A275 HydrophobicContact CE2-CB 3.76Å; F271-A275 HydrophobicContact CG-CB 4.48Å; F271-A275 HydrophobicContact CZ-CB 3.99Å; F271-A275 WeakPolarHBondContact O-CB 3.39Å; F271-A275 PolarHBondContact O-N 2.99Å; F271-L321 HydrophobicContact CB-CB 4.17Å; F271-L321 HydrophobicContact CB-CD2 4.12Å; F271-L321 HydrophobicContact CD1-CD2 3.53Å; F271-L321 HydrophobicContact CE1-CD2 4.14Å; F271-L321 HydrophobicContact CG-CD2 3.92Å; F271-C324 HydrophobicContact CB-CB 4.08Å; F271-C324 HydrophobicContact CD2-CB 3.3Å; F271-C324 HydrophobicContact CE2-CB 3.9Å; F271-C324 HydrophobicContact CG-CB 3.86Å; F271-L328 HydrophobicContact CD2-CD1 4.19Å; F271-V337 HydrophobicContact CE2-CG2 4.35Å; F271-N342 HydrophobicContact CE1-CB 4.17Å; F271-N342 HydrophobicContact CZ-CB 3.78Å; F271-N342 VanDerWaalsContact CZ-OD1 3.26Å; F271-N342 WeakPolarHBondContact CZ-OD1 3.48Å
272W98.9Very high98.8Very high51 Ų5133.5 Ų33.519%0.19317%0.172CC..Hα-helixtrans-56.5-48.1-171.5-62.7123.4000112.8Y221 C268 Y269 T276 L321Y221-W272 WeakPolarHBondContact CB-O 3.46Å; Y221-W272 AromaticContact CD1-CE3 3.27Å; Y221-W272 HydrophobicContact CD1-CE3 3.27Å; Y221-W272 AromaticContact CD1-CZ3 3.35Å; Y221-W272 HydrophobicContact CD1-CZ3 3.35Å; Y221-W272 HydrophobicContact CD2-CE3 4.22Å; Y221-W272 WeakPolarHBondContact CD2-O 3.33Å; Y221-W272 AromaticContact CE1-CE3 3.67Å; Y221-W272 HydrophobicContact CE1-CE3 3.67Å; Y221-W272 AromaticContact CE1-CZ3 3.36Å; Y221-W272 HydrophobicContact CE1-CZ3 3.36Å; Y221-W272 AromaticContact CG-CE3 3.58Å; Y221-W272 HydrophobicContact CG-CE3 3.58Å; Y221-W272 HydrophobicContact CG-CZ3 4.14Å; C268-W272 PolarHBondContact O-N 3.04Å; Y269-W272 HydrophobicContact CD1-CB 3.97Å; Y269-W272 AromaticContact CD1-CD1 4Å; Y269-W272 HydrophobicContact CD1-CG 4.38Å; Y269-W272 PolarHBondContact O-N 3.29Å; W272-T276 PolarHBondContact O-N 2.96Å; W272-T276 PolarHBondContact O-OG1 3.07Å; W272-L321 HydrophobicContact CZ2-CD1 3.63Å
273V98.9Very high98.8Very high2 Ų225.6 Ų25.61%0.01213%0.13CC..Hα-helixtrans-80.1-40.8177.1-177.10000110.9C249 R252 F257 Y269 F271 A275 T276 L277C249-V273 HydrophobicContact CB-CG1 4.16Å; C249-V273 WeakPolarHBondContact O-CG1 3.49Å; R252-V273 HydrophobicContact CB-CG1 3.95Å; R252-V273 HydrophobicContact CB-CG2 4.21Å; R252-V273 HydrophobicContact CG-CG1 4Å; R252-V273 HydrophobicContact CG-CG2 4.1Å; F257-V273 HydrophobicContact CB-CB 4.36Å; F257-V273 HydrophobicContact CD1-CB 3.84Å; F257-V273 HydrophobicContact CD1-CG1 3.66Å; F257-V273 HydrophobicContact CE1-CB 4.49Å; F257-V273 HydrophobicContact CE1-CG1 3.99Å; F257-V273 HydrophobicContact CG-CB 4.28Å; Y269-V273 HydrophobicContact CD1-CG2 4.12Å; Y269-V273 WeakPolarHBondContact O-CB 3.43Å; Y269-V273 PolarHBondContact O-N 3.18Å; F271-V273 PolarHBondContact O-N 2.85Å; V273-A275 PolarHBondContact O-N 2.93Å; V273-T276 WeakPolarHBondContact O-CB 3.22Å; V273-T276 PolarHBondContact O-N 3.4Å; V273-L277 HydrophobicContact CG1-CD1 3.95Å; V273-L277 HydrophobicContact CG1-CG 4.29Å; V273-L277 WeakPolarHBondContact O-CG 3.34Å; V273-L277 PolarHBondContact O-N 2.61Å
274G98.9Very high98.8Very high0 Ų024.5 Ų24.50%013%0.127CC..Hα-helixtrans-57.6-49.9179.100000113Y269 S270 F271 T276 L277 E278Y269-G274 PolarHBondContact O-N 3.41Å; S270-G274 WeakPolarHBondContact O-CA 3.26Å; F271-G274 PolarHBondContact O-N 3.3Å; G274-T276 VanDerWaalsContact C-N 3.29Å; G274-T276 PolarHBondContact O-N 3.47Å; G274-L277 WeakPolarHBondContact O-CB 3.36Å; G274-L277 PolarHBondContact O-N 3.18Å; G274-L277 VanDerWaalsContact O-N 3.1Å; G274-E278 PolarHBondContact O-N 2.95Å
275A98.9Very high98.8Very high0 Ų027.9 Ų27.90%013%0.134CC..Hα-helixtrans-64.6-33.2176.900000112.1Y221 F271 V273 E278 L279 L328 P339Y221-A275 HydrophobicContact CD2-CB 4.06Å; Y221-A275 HydrophobicContact CE2-CB 3.69Å; F271-A275 HydrophobicContact CD2-CB 4Å; F271-A275 HydrophobicContact CE1-CB 4.42Å; F271-A275 HydrophobicContact CE2-CB 3.76Å; F271-A275 HydrophobicContact CG-CB 4.48Å; F271-A275 HydrophobicContact CZ-CB 3.99Å; F271-A275 WeakPolarHBondContact O-CB 3.39Å; F271-A275 PolarHBondContact O-N 2.99Å; V273-A275 PolarHBondContact O-N 2.93Å; A275-E278 PolarHBondContact O-N 3.47Å; A275-L279 VanDerWaalsContact O-CG 3.26Å; A275-L279 WeakPolarHBondContact O-CG 3.4Å; A275-L279 PolarHBondContact O-N 3.35Å; A275-L328 HydrophobicContact CB-CD1 4.15Å; A275-P339 HydrophobicContact CB-CB 3.9Å
276T98.9Very high98.8Very high0 Ų027.4 Ų27.40%013%0.131CC..Hα-helixtrans-63.7-44.8171.5-56.40000111.1T220 Y221 I224 W272 V273 G274 E278 L279 L280T220-T276 HydrophobicContact CG2-CG2 4.12Å; Y221-T276 WeakPolarHBondContact CA-OG1 3.34Å; Y221-T276 WeakPolarHBondContact CB-OG1 3.39Å; I224-T276 HydrophobicContact CB-CG2 4.14Å; I224-T276 HydrophobicContact CG1-CG2 3.97Å; I224-T276 HydrophobicContact CG2-CG2 4.25Å; W272-T276 PolarHBondContact O-N 2.96Å; W272-T276 PolarHBondContact O-OG1 3.07Å; V273-T276 WeakPolarHBondContact O-CB 3.22Å; V273-T276 PolarHBondContact O-N 3.4Å; G274-T276 VanDerWaalsContact C-N 3.29Å; G274-T276 PolarHBondContact O-N 3.47Å; T276-E278 VanDerWaalsContact C-N 3.3Å; T276-E278 PolarHBondContact O-N 3.47Å; T276-L279 PolarHBondContact O-N 3.47Å; T276-L280 HydrophobicContact CG2-CD1 3.96Å; T276-L280 WeakPolarHBondContact O-CB 3.33Å; T276-L280 VanDerWaalsContact O-CG 3.26Å; T276-L280 WeakPolarHBondContact O-CG 3.43Å; T276-L280 PolarHBondContact O-N 2.96Å
277L98.9Very high98.8Very high0 Ų031.6 Ų31.60%015%0.15CC..Hα-helixtrans-65.1-34.8177.2-70166.8000111.8C249 I250 F257 V273 G274 L280 D281 V282 F283 T286C249-L277 HydrophobicContact CB-CD2 3.47Å; C249-L277 VanDerWaalsContact CB-CD2 3.47Å; C249-L277 HydrophobicContact CB-CG 3.93Å; I250-L277 HydrophobicContact CB-CD2 4.22Å; F257-L277 HydrophobicContact CE1-CD1 3.84Å; F257-L277 HydrophobicContact CZ-CD1 4.26Å; V273-L277 HydrophobicContact CG1-CD1 3.95Å; V273-L277 HydrophobicContact CG1-CG 4.29Å; V273-L277 WeakPolarHBondContact O-CG 3.34Å; V273-L277 PolarHBondContact O-N 2.61Å; G274-L277 WeakPolarHBondContact O-CB 3.36Å; G274-L277 PolarHBondContact O-N 3.18Å; G274-L277 VanDerWaalsContact O-N 3.1Å; L277-L280 CarbonylContact O-C 3.57Å; L277-L280 PolarHBondContact O-N 3.31Å; L277-D281 PolarHBondContact O-N 3.08Å; L277-D281 VanDerWaalsContact O-N 3.13Å; L277-V282 HydrophobicContact CB-CG2 4.27Å; L277-V282 HydrophobicContact CD2-CG2 3.53Å; L277-V282 PolarHBondContact O-N 3.32Å; L277-F283 HydrophobicContact CB-CB 3.87Å; L277-F283 HydrophobicContact CB-CD2 3.96Å; L277-F283 HydrophobicContact CB-CG 4.41Å; L277-F283 HydrophobicContact CD1-CD2 4.33Å; L277-F283 PolarHBondContact O-N 2.89Å; L277-T286 HydrophobicContact CD1-CG2 3.73Å
278E98.8Very high98.8Very high55 Ų5534.7 Ų34.726%0.25716%0.164SC..Hα-helixtrans-65-46.5174.8-178.175.4176.200110G274 A275 T276 L280 D281 F283 L328 K336 P339G274-E278 PolarHBondContact O-N 2.95Å; A275-E278 PolarHBondContact O-N 3.47Å; T276-E278 VanDerWaalsContact C-N 3.3Å; T276-E278 PolarHBondContact O-N 3.47Å; E278-L280 PolarHBondContact O-N 3.21Å; E278-D281 PolarHBondContact O-N 3.41Å; E278-D281 VanDerWaalsContact O-N 3.11Å; E278-F283 HydrophobicContact CB-CB 4.23Å; E278-L328 HydrophobicContact CB-CD2 4.33Å; E278-L328 HydrophobicContact CG-CD2 4.27Å; E278-K336 IonicContact OE1-NZ 3.72Å; E278-K336 PolarHBondContact OE1-NZ 3.22Å; E278-P339 HydrophobicContact CB-CB 4.27Å; E278-P339 HydrophobicContact CB-CG 4.5Å; E278-P339 HydrophobicContact CG-CB 4.11Å; E278-P339 HydrophobicContact CG-CG 3.88Å
279L98.9Very high98.7Very high38 Ų3839.9 Ų39.920%0.19919%0.187CC..Hα-helixtrans-63.2-24.8175.4-69.9170.5000113.4I224 A225 C228 A275 T276 P339 A340I224-L279 HydrophobicContact CG2-CB 3.97Å; I224-L279 HydrophobicContact CG2-CD1 4.09Å; A225-L279 HydrophobicContact CB-CD1 4.02Å; C228-L279 HydrophobicContact CB-CD2 4.29Å; A275-L279 VanDerWaalsContact O-CG 3.26Å; A275-L279 WeakPolarHBondContact O-CG 3.4Å; A275-L279 PolarHBondContact O-N 3.35Å; T276-L279 PolarHBondContact O-N 3.47Å; L279-P339 HydrophobicContact CD2-CB 4.16Å; L279-P339 HydrophobicContact CD2-CG 3.77Å; L279-P339 HydrophobicContact CG-CB 4.02Å; L279-P339 HydrophobicContact CG-CG 4.13Å; L279-A340 HydrophobicContact CD1-CB 4.27Å; L279-A340 HydrophobicContact CD2-CB 3.98Å
280L98.8Very high98.7Very high4 Ų443.4 Ų43.42%0.02120%0.203CC..THydrogen-bonded Turntrans-96.15.2178.5-66.6176000113.6I224 L233 L242 I245 R246 T276 L277 E278 V282I224-L280 HydrophobicContact CD1-CD2 4.3Å; I224-L280 HydrophobicContact CG2-CD2 4.28Å; I224-L280 HydrophobicContact CG2-CG 4.33Å; L233-L280 HydrophobicContact CD2-CD2 4.33Å; L242-L280 HydrophobicContact CD2-CD2 3.9Å; I245-L280 HydrophobicContact CG2-CD1 3.82Å; R246-L280 HydrophobicContact CG-CB 3.93Å; R246-L280 HydrophobicContact CG-CD1 4.05Å; R246-L280 HydrophobicContact CG-CG 4.5Å; R246-L280 PolarHBondContact NE-O 3Å; R246-L280 PolarHBondContact NH2-O 3.29Å; R246-L280 VanDerWaalsContact NH2-O 3.14Å; T276-L280 HydrophobicContact CG2-CD1 3.96Å; T276-L280 WeakPolarHBondContact O-CB 3.33Å; T276-L280 VanDerWaalsContact O-CG 3.26Å; T276-L280 WeakPolarHBondContact O-CG 3.43Å; T276-L280 PolarHBondContact O-N 2.96Å; L277-L280 CarbonylContact O-C 3.57Å; L277-L280 PolarHBondContact O-N 3.31Å; E278-L280 PolarHBondContact O-N 3.21Å; L280-V282 HydrophobicContact CB-CG2 4.08Å; L280-V282 PolarHBondContact O-N 2.79Å
281D98.4Very high98.7Very high115 Ų11543.4 Ų43.462%0.61520%0.203SC*.THydrogen-bonded Turntrans54.545.6179.9-169.827000113.5L277 E278 Q284L277-D281 PolarHBondContact O-N 3.08Å; L277-D281 VanDerWaalsContact O-N 3.13Å; E278-D281 PolarHBondContact O-N 3.41Å; E278-D281 VanDerWaalsContact O-N 3.11Å; D281-Q284 PolarHBondContact O-NE2 2.88Å; D281-Q284 PolarHBondContact OD1-NE2 3.39Å
282V98.7Very high98.6Very high21 Ų2145.8 Ų45.813%0.12721%0.212CC..  trans-138.24.9177-69.30000114R246 L277 L280 Q284 F285R246-V282 HydrophobicContact CB-CG2 4.22Å; R246-V282 HydrophobicContact CG-CG1 4.08Å; R246-V282 HydrophobicContact CG-CG2 3.84Å; L277-V282 HydrophobicContact CB-CG2 4.27Å; L277-V282 HydrophobicContact CD2-CG2 3.53Å; L277-V282 PolarHBondContact O-N 3.32Å; L280-V282 HydrophobicContact CB-CG2 4.08Å; L280-V282 PolarHBondContact O-N 2.79Å; V282-Q284 VanDerWaalsContact C-N 3.28Å; V282-Q284 VanDerWaalsContact CA-OE1 3.24Å; V282-Q284 PolarHBondContact O-N 3.49Å; V282-F285 HydrophobicContact CB-CD2 4Å; V282-F285 HydrophobicContact CG1-CD2 4.16Å; V282-F285 HydrophobicContact CG1-CE2 4.28Å; V282-F285 PolarHBondContact O-N 3.28Å
283F98.8Very high98.6Very high1 Ų145.2 Ų45.20%0.00422%0.216CC..G310 helixtrans-63.5-34179.3-174.5-116.7000112.8L277 E278 F285 T286 F288 L328 I329L277-F283 HydrophobicContact CB-CB 3.87Å; L277-F283 HydrophobicContact CB-CD2 3.96Å; L277-F283 HydrophobicContact CB-CG 4.41Å; L277-F283 HydrophobicContact CD1-CD2 4.33Å; L277-F283 PolarHBondContact O-N 2.89Å; E278-F283 HydrophobicContact CB-CB 4.23Å; F283-F285 PolarHBondContact O-N 3.26Å; F283-T286 HydrophobicContact CD2-CG2 4.11Å; F283-T286 WeakPolarHBondContact O-CB 3.27Å; F283-T286 WeakPolarHBondContact O-CG2 3.42Å; F283-T286 PolarHBondContact O-N 3.01Å; F283-T286 PolarHBondContact O-OG1 3.47Å; F283-F288 AromaticContact CD1-CE1 3.78Å; F283-F288 HydrophobicContact CD1-CE1 3.78Å; F283-F288 AromaticContact CD1-CZ 3.86Å; F283-F288 HydrophobicContact CD1-CZ 3.86Å; F283-F288 HydrophobicContact CE1-CD1 4.37Å; F283-F288 AromaticContact CE1-CE1 3.47Å; F283-F288 HydrophobicContact CE1-CE1 3.47Å; F283-F288 VanDerWaalsContact CE1-CE1 3.47Å; F283-F288 AromaticContact CE1-CZ 3.72Å; F283-F288 HydrophobicContact CE1-CZ 3.72Å; F283-F288 HydrophobicContact CE2-CE1 4.42Å; F283-F288 HydrophobicContact CG-CE1 4.36Å; F283-F288 HydrophobicContact CZ-CD1 4.42Å; F283-F288 AromaticContact CZ-CE1 3.85Å; F283-F288 HydrophobicContact CZ-CE1 3.85Å; F283-F288 WeakPolarHBondContact O-CE1 3.42Å; F283-L328 HydrophobicContact CD1-CB 4.45Å; F283-L328 HydrophobicContact CE1-CB 3.66Å; F283-L328 WeakPolarHBondContact CE1-O 3.5Å; F283-L328 HydrophobicContact CZ-CB 3.87Å; F283-I329 HydrophobicContact CE1-CG2 3.78Å; F283-I329 HydrophobicContact CZ-CG2 3.54Å
284Q98.5Very high98.6Very high88 Ų8845.8 Ų45.841%0.41122%0.218SC..G310 helixtrans-58-16175.467.9-863700114.3D281 V282D281-Q284 PolarHBondContact O-NE2 2.88Å; D281-Q284 PolarHBondContact OD1-NE2 3.39Å; V282-Q284 VanDerWaalsContact C-N 3.28Å; V282-Q284 VanDerWaalsContact CA-OE1 3.24Å; V282-Q284 PolarHBondContact O-N 3.49Å
285F98.6Very high98.6Very high144 Ų14445.8 Ų45.863%0.63222%0.218SC*.G310 helixtrans-93.63.5176.5-55.7-58.1000113.5I250 V282 F283I250-F285 HydrophobicContact CD1-CB 4.28Å; V282-F285 HydrophobicContact CB-CD2 4Å; V282-F285 HydrophobicContact CG1-CD2 4.16Å; V282-F285 HydrophobicContact CG1-CE2 4.28Å; V282-F285 PolarHBondContact O-N 3.28Å; F283-F285 PolarHBondContact O-N 3.26Å
286T98.8Very high98.5Very high13 Ų1346 Ų468%0.0822%0.219CC..SBendtrans-87.5162.2177.466.70000112.1I250 F257 L277 F283 F288I250-T286 HydrophobicContact CG1-CG2 4.31Å; F257-T286 HydrophobicContact CZ-CG2 4.12Å; L277-T286 HydrophobicContact CD1-CG2 3.73Å; F283-T286 HydrophobicContact CD2-CG2 4.11Å; F283-T286 WeakPolarHBondContact O-CB 3.27Å; F283-T286 WeakPolarHBondContact O-CG2 3.42Å; F283-T286 PolarHBondContact O-N 3.01Å; F283-T286 PolarHBondContact O-OG1 3.47Å; T286-F288 PolarHBondContact O-N 3.3Å; T286-F288 WeakPolarHBondContact OG1-CD1 3.35Å; T286-F288 VanDerWaalsContact OG1-CE1 3.25Å; T286-F288 WeakPolarHBondContact OG1-CE1 3.48Å
287H98.4Very high98.5Very high94 Ų9448 Ų4844%0.43523%0.233SC..  trans-85.690.8-179.7-163.7-42.8000111.3Q253 E289 K290 N291Q253-H287 PolarHBondContact NE2-O 2.65Å; H287-E289 PolarHBondContact O-N 2.92Å; H287-K290 HydrophobicContact CB-CB 4.41Å; H287-K290 PolarHBondContact ND1-N 2.95Å; H287-K290 PolarHBondContact O-N 2.81Å; H287-N291 PolarHBondContact O-N 2.96Å
288F98.4Very high98.5Very high66 Ų6648.2 Ų48.229%0.28924%0.235SC..Hα-helixtrans-58.3-47.2-174.2-71.60.1000113.5F283 T286 K290 N291 R292 I329F283-F288 AromaticContact CD1-CE1 3.78Å; F283-F288 HydrophobicContact CD1-CE1 3.78Å; F283-F288 AromaticContact CD1-CZ 3.86Å; F283-F288 HydrophobicContact CD1-CZ 3.86Å; F283-F288 HydrophobicContact CE1-CD1 4.37Å; F283-F288 AromaticContact CE1-CE1 3.47Å; F283-F288 HydrophobicContact CE1-CE1 3.47Å; F283-F288 VanDerWaalsContact CE1-CE1 3.47Å; F283-F288 AromaticContact CE1-CZ 3.72Å; F283-F288 HydrophobicContact CE1-CZ 3.72Å; F283-F288 HydrophobicContact CE2-CE1 4.42Å; F283-F288 HydrophobicContact CG-CE1 4.36Å; F283-F288 HydrophobicContact CZ-CD1 4.42Å; F283-F288 AromaticContact CZ-CE1 3.85Å; F283-F288 HydrophobicContact CZ-CE1 3.85Å; F283-F288 WeakPolarHBondContact O-CE1 3.42Å; T286-F288 PolarHBondContact O-N 3.3Å; T286-F288 WeakPolarHBondContact OG1-CD1 3.35Å; T286-F288 VanDerWaalsContact OG1-CE1 3.25Å; T286-F288 WeakPolarHBondContact OG1-CE1 3.48Å; F288-K290 PolarHBondContact O-N 2.68Å; F288-N291 WeakPolarHBondContact O-CB 3.3Å; F288-N291 PolarHBondContact O-N 2.98Å; F288-N291 VanDerWaalsContact O-N 3.11Å; F288-R292 WeakPolarHBondContact O-CB 3.2Å; F288-R292 PolarHBondContact O-N 3.41Å; F288-I329 HydrophobicContact CB-CB 4.31Å; F288-I329 HydrophobicContact CB-CG2 4.15Å; F288-I329 HydrophobicContact CD1-CB 4.36Å; F288-I329 HydrophobicContact CD1-CG2 3.65Å; F288-I329 HydrophobicContact CD2-CB 3.99Å; F288-I329 HydrophobicContact CD2-CG2 4.18Å; F288-I329 HydrophobicContact CE1-CG2 4Å; F288-I329 HydrophobicContact CE2-CB 4.36Å; F288-I329 HydrophobicContact CG-CB 3.99Å; F288-I329 HydrophobicContact CG-CG2 3.74Å; F288-I329 HydrophobicContact CZ-CG2 4.42Å
289E97.6Very high98.5Very high117 Ų11746.3 Ų46.355%0.54723%0.226SC..Hα-helixtrans-61.3-38.6-177.1-65-52.6138.700114.1H287 S293H287-E289 PolarHBondContact O-N 2.92Å; E289-S293 VanDerWaalsContact O-CB 3.28Å; E289-S293 WeakPolarHBondContact O-CB 3.38Å; E289-S293 PolarHBondContact O-N 3.16Å; E289-S293 PolarHBondContact O-OG 3.33Å
290K97.9Very high98.5Very high103 Ų10346.4 Ų46.445%0.44823%0.227SC..Hα-helixtrans-67.1-41.3175.7-77.5-174.5-179.1-169.30111.5S255 H287 F288 F294S255-K290 CarbonylContact O-C 3.57Å; S255-K290 VanDerWaalsContact O-O 3.1Å; H287-K290 HydrophobicContact CB-CB 4.41Å; H287-K290 PolarHBondContact ND1-N 2.95Å; H287-K290 PolarHBondContact O-N 2.81Å; F288-K290 PolarHBondContact O-N 2.68Å; K290-F294 WeakPolarHBondContact O-CB 3.29Å; K290-F294 PolarHBondContact O-N 2.87Å
291N98.7Very high98.4Very high0 Ų052.1 Ų52.10%025%0.248CC..Hα-helixtrans-64.6-47.7176.9-175.539.4000110.8S255 F257 S270 H287 F288 S293 F294 I295S255-N291 WeakPolarHBondContact O-CA 3.31Å; S255-N291 PolarHBondContact O-N 3.22Å; F257-N291 HydrophobicContact CE2-CB 4.26Å; S270-N291 WeakPolarHBondContact CB-OD1 3.12Å; S270-N291 PolarHBondContact OG-OD1 3.43Å; H287-N291 PolarHBondContact O-N 2.96Å; F288-N291 WeakPolarHBondContact O-CB 3.3Å; F288-N291 PolarHBondContact O-N 2.98Å; F288-N291 VanDerWaalsContact O-N 3.11Å; N291-S293 PolarHBondContact O-N 3.28Å; N291-F294 PolarHBondContact O-N 2.73Å; N291-I295 VanDerWaalsContact O-CG1 3.28Å; N291-I295 WeakPolarHBondContact O-CG1 3.42Å; N291-I295 PolarHBondContact O-N 3.16Å
292R98.3Very high98.3Very high50 Ų5053.3 Ų53.319%0.18925%0.253CS..Hα-helixtrans-54.7-52.5175.2-170.1-179.3-179.9-83-8.7111.2F288 F294 I295 L296 L326 I329 E331F288-R292 WeakPolarHBondContact O-CB 3.2Å; F288-R292 PolarHBondContact O-N 3.41Å; R292-F294 VanDerWaalsContact C-N 3.33Å; R292-F294 PolarHBondContact O-N 3.36Å; R292-I295 PolarHBondContact O-N 2.83Å; R292-L296 HydrophobicContact CG-CD1 3.96Å; R292-L296 HydrophobicContact CG-CG 4.49Å; R292-L296 VanDerWaalsContact CZ-CD1 3.43Å; R292-L296 VanDerWaalsContact NH1-CD1 3.34Å; R292-L296 WeakPolarHBondContact O-CG 3.45Å; R292-L296 PolarHBondContact O-N 2.84Å; R292-L326 HydrophobicContact CG-CD2 3.99Å; R292-I329 HydrophobicContact CB-CD1 3.53Å; R292-I329 HydrophobicContact CG-CD1 3.86Å; R292-E331 WeakPolarHBondContact CD-OE2 3.37Å; R292-E331 IonicContact CZ-OE1 3.57Å; R292-E331 IonicContact CZ-OE2 3.51Å; R292-E331 IonicContact NE-OE1 3.92Å; R292-E331 IonicContact NE-OE2 3.76Å; R292-E331 PolarHBondContact NE-OE2 2.95Å; R292-E331 IonicContact NH2-OE1 3.51Å; R292-E331 PolarHBondContact NH2-OE1 3.48Å; R292-E331 IonicContact NH2-OE2 2.67Å; R292-E331 PolarHBondContact NH2-OE2 3.29Å
293S98.2Very high98.3Very high39 Ų3955.1 Ų55.127%0.27327%0.265SS..Hα-helixtrans-59.5-42.6-179.6-59.20000111.9E289 N291 L296 S297E289-S293 VanDerWaalsContact O-CB 3.28Å; E289-S293 WeakPolarHBondContact O-CB 3.38Å; E289-S293 PolarHBondContact O-N 3.16Å; E289-S293 PolarHBondContact O-OG 3.33Å; N291-S293 PolarHBondContact O-N 3.28Å; S293-L296 PolarHBondContact O-N 3.35Å; S293-S297 WeakPolarHBondContact O-CB 3.37Å; S293-S297 PolarHBondContact O-N 2.67Å
294F98.6Very high98.3Very high14 Ų1455.1 Ų55.16%0.06127%0.265CS..Hα-helixtrans-63.2-47.8174.7173.1-103.1000112.2V265 K290 N291 R292 L296 S297 T298V265-F294 HydrophobicContact CB-CE1 4.19Å; V265-F294 HydrophobicContact CB-CE2 4.12Å; V265-F294 HydrophobicContact CB-CZ 3.8Å; V265-F294 HydrophobicContact CG2-CD2 3.93Å; V265-F294 HydrophobicContact CG2-CE1 4.23Å; V265-F294 HydrophobicContact CG2-CE2 3.27Å; V265-F294 HydrophobicContact CG2-CZ 3.44Å; V265-F294 VanDerWaalsContact CG2-CZ 3.44Å; K290-F294 WeakPolarHBondContact O-CB 3.29Å; K290-F294 PolarHBondContact O-N 2.87Å; N291-F294 PolarHBondContact O-N 2.73Å; R292-F294 VanDerWaalsContact C-N 3.33Å; R292-F294 PolarHBondContact O-N 3.36Å; F294-L296 VanDerWaalsContact C-N 3.32Å; F294-L296 PolarHBondContact O-N 2.82Å; F294-S297 PolarHBondContact O-N 3.19Å; F294-S297 PolarHBondContact O-OG 3.49Å; F294-T298 HydrophobicContact CE2-CG2 4.34Å; F294-T298 HydrophobicContact CZ-CG2 4.26Å; F294-T298 WeakPolarHBondContact O-CG2 3.38Å; F294-T298 PolarHBondContact O-N 2.89Å
295I98.7Very high98.3Very high0 Ų050.9 Ų50.90%025%0.245CC..Hα-helixtrans-59-46.8178.8-63.1161.3000110.2T267 N291 R292 S297 T298 F306 L326T267-I295 HydrophobicContact CG2-CG2 4.26Å; N291-I295 VanDerWaalsContact O-CG1 3.28Å; N291-I295 WeakPolarHBondContact O-CG1 3.42Å; N291-I295 PolarHBondContact O-N 3.16Å; R292-I295 PolarHBondContact O-N 2.83Å; I295-S297 VanDerWaalsContact C-N 3.28Å; I295-S297 PolarHBondContact O-N 3.25Å; I295-T298 PolarHBondContact O-N 3.17Å; I295-T298 PolarHBondContact O-OG1 3.24Å; I295-F306 HydrophobicContact CG2-CD1 3.97Å; I295-F306 HydrophobicContact CG2-CE1 3.75Å; I295-F306 HydrophobicContact CG2-CZ 4.27Å; I295-F306 VanDerWaalsContact O-CD1 3.28Å; I295-F306 WeakPolarHBondContact O-CD1 3.35Å; I295-F306 WeakPolarHBondContact O-CE1 3.41Å; I295-L326 HydrophobicContact CB-CD2 4.22Å; I295-L326 HydrophobicContact CB-CG 4.46Å; I295-L326 HydrophobicContact CD1-CD2 4.02Å; I295-L326 HydrophobicContact CD1-CG 4.18Å; I295-L326 HydrophobicContact CG2-CD1 4.04Å; I295-L326 HydrophobicContact CG2-CD2 4.12Å; I295-L326 HydrophobicContact CG2-CG 3.85Å
296L98.5Very high98.3Very high4 Ų444 Ų442%0.02122%0.215CC..Hα-helixtrans-68.1-27.2-179.6-63.9178.1000113I16 F18 R292 S293 F294 T298 Q299 F306 L326I16-L296 HydrophobicContact CB-CB 4.18Å; I16-L296 HydrophobicContact CG2-CB 4.03Å; I16-L296 WeakPolarHBondContact O-CD1 3.46Å; F18-L296 HydrophobicContact CB-CD2 4.17Å; F18-L296 HydrophobicContact CD2-CD2 4.1Å; R292-L296 HydrophobicContact CG-CD1 3.96Å; R292-L296 HydrophobicContact CG-CG 4.49Å; R292-L296 VanDerWaalsContact CZ-CD1 3.43Å; R292-L296 VanDerWaalsContact NH1-CD1 3.34Å; R292-L296 WeakPolarHBondContact O-CG 3.45Å; R292-L296 PolarHBondContact O-N 2.84Å; S293-L296 PolarHBondContact O-N 3.35Å; F294-L296 VanDerWaalsContact C-N 3.32Å; F294-L296 PolarHBondContact O-N 2.82Å; L296-T298 PolarHBondContact O-N 3.04Å; L296-Q299 WeakPolarHBondContact O-CB 3.41Å; L296-Q299 PolarHBondContact O-N 3.15Å; L296-Q299 VanDerWaalsContact O-N 3.16Å; L296-F306 HydrophobicContact CD2-CE1 4.23Å; L296-F306 HydrophobicContact CD2-CZ 4.37Å; L296-L326 HydrophobicContact CD2-CD1 4.05Å; L296-L326 HydrophobicContact CD2-CD2 4.49Å
297S98.2Very high98.3Very high42 Ų4243.4 Ų43.429%0.29421%0.211SC..Hα-helixtrans-66.7-16.6171.975.60000113.9S293 F294 I295 P310S293-S297 WeakPolarHBondContact O-CB 3.37Å; S293-S297 PolarHBondContact O-N 2.67Å; F294-S297 PolarHBondContact O-N 3.19Å; F294-S297 PolarHBondContact O-OG 3.49Å; I295-S297 VanDerWaalsContact C-N 3.28Å; I295-S297 PolarHBondContact O-N 3.25Å; S297-P310 WeakPolarHBondContact O-CA 3.49Å; S297-P310 WeakPolarHBondContact O-CB 3.41Å; S297-P310 WeakPolarHBondContact OG-CG 3.35Å
298T98.7Very high98.3Very high5 Ų542.3 Ų42.33%0.03121%0.205CC..THydrogen-bonded Turntrans-98.34.6175.176.40000113.3T267 F294 I295 L296 F306 A307 W309 P310T267-T298 WeakPolarHBondContact OG1-CB 3.47Å; T267-T298 VanDerWaalsContact OG1-CG2 3.24Å; T267-T298 WeakPolarHBondContact OG1-CG2 3.28Å; T267-T298 PolarHBondContact OG1-OG1 3.39Å; F294-T298 HydrophobicContact CE2-CG2 4.34Å; F294-T298 HydrophobicContact CZ-CG2 4.26Å; F294-T298 WeakPolarHBondContact O-CG2 3.38Å; F294-T298 PolarHBondContact O-N 2.89Å; I295-T298 PolarHBondContact O-N 3.17Å; I295-T298 PolarHBondContact O-OG1 3.24Å; L296-T298 PolarHBondContact O-N 3.04Å; T298-F306 WeakPolarHBondContact O-CA 3.38Å; T298-A307 WeakPolarHBondContact CB-O 3.42Å; T298-A307 PolarHBondContact O-N 3.43Å; T298-A307 PolarHBondContact OG1-O 3.47Å; T298-W309 VanDerWaalsContact CG2-C 3.49Å; T298-P310 HydrophobicContact CG2-CG 4.26Å
299Q98.6Very high98.3Very high15 Ų1544.4 Ų44.47%0.0721%0.211CC..BIsolated β-bridgetrans-71.5123.9177.8-176.6177.2-117.600110.9D17 L19 H23 L296 R301 F306D17-Q299 PolarHBondContact O-NE2 2.89Å; L19-Q299 HydrophobicContact CD1-CG 4.46Å; H23-Q299 PolarHBondContact NE2-OE1 3.05Å; L296-Q299 WeakPolarHBondContact O-CB 3.41Å; L296-Q299 PolarHBondContact O-N 3.15Å; L296-Q299 VanDerWaalsContact O-N 3.16Å; Q299-R301 PolarHBondContact O-N 3.02Å; Q299-F306 HydrophobicContact CB-CD1 3.95Å; Q299-F306 HydrophobicContact CB-CE1 3.66Å; Q299-F306 HydrophobicContact CB-CZ 4.49Å; Q299-F306 HydrophobicContact CG-CE1 4.13Å
300D98.4Very high98.3Very high40 Ų4041.3 Ų41.321%0.21420%0.201CC..  trans-79.4109.2170.9-170.1-55.5000109.9L302 V303 G304 G305 P314D300-L302 PolarHBondContact O-N 3.18Å; D300-L302 WeakPolarHBondContact OD1-CA 3.32Å; D300-L302 WeakPolarHBondContact OD1-CB 3.41Å; D300-L302 PolarHBondContact OD1-N 3.01Å; D300-V303 HydrophobicContact CB-CG2 4.03Å; D300-V303 WeakPolarHBondContact OD1-CG2 3.42Å; D300-V303 PolarHBondContact OD1-N 3.05Å; D300-V303 WeakPolarHBondContact OD2-CG2 3.26Å; D300-G304 WeakPolarHBondContact O-CA 3.31Å; D300-G304 PolarHBondContact O-N 3.21Å; D300-G305 PolarHBondContact N-O 2.96Å; D300-P314 HydrophobicContact CB-CB 4.24Å; D300-P314 HydrophobicContact CB-CG 3.72Å
301R97.2Very high98.2Very high123 Ų12344.8 Ų44.846%0.46423%0.225SC..THydrogen-bonded Turntrans-73.4-15.6-176.1-57.9-176.871.5131.81.7113.4L19 R22 Q299L19-R301 HydrophobicContact CD1-CB 4.02Å; L19-R301 HydrophobicContact CD1-CG 4.01Å; R22-R301 WeakPolarHBondContact CD-O 3.21Å; R22-R301 PolarHBondContact NE-O 3.02Å; R22-R301 PolarHBondContact NH1-O 3.03Å; Q299-R301 PolarHBondContact O-N 3.02Å
302L97.3Very high98.1Very high140 Ų14047 Ų4773%0.73324%0.24SC*.THydrogen-bonded Turntrans-90.9-61.8-179.4-178.263.9000110.3R22 D300R22-L302 PolarHBondContact NH1-O 3.34Å; D300-L302 PolarHBondContact O-N 3.18Å; D300-L302 WeakPolarHBondContact OD1-CA 3.32Å; D300-L302 WeakPolarHBondContact OD1-CB 3.41Å; D300-L302 PolarHBondContact OD1-N 3.01Å
303V97.6Very high98.1Very high60 Ų6052.2 Ų52.236%0.36427%0.266SS..THydrogen-bonded Turntrans-95-7.8-173.7-57.90000113.4R29 D300 P314R29-V303 PolarHBondContact NH2-O 2.93Å; D300-V303 HydrophobicContact CB-CG2 4.03Å; D300-V303 WeakPolarHBondContact OD1-CG2 3.42Å; D300-V303 PolarHBondContact OD1-N 3.05Å; D300-V303 WeakPolarHBondContact OD2-CG2 3.26Å; V303-P314 HydrophobicContact CG2-CG 3.7Å
304G98.4Very high98.2Very high0 Ų051 Ų510%026%0.257CS..  trans72.5178.3-172.500000112.7F26 D300F26-G304 WeakPolarHBondContact CD2-O 3.36Å; D300-G304 WeakPolarHBondContact O-CA 3.31Å; D300-G304 PolarHBondContact O-N 3.21Å
305G98.7Very high98.2Very high0 Ų052.4 Ų52.40%027%0.265CS..SBendtrans82.4175.1-171.700000112.1H23 D300H23-G305 PolarHBondContact CE1-N 2.68Å; H23-G305 PolarHBondContact CE1-O 2.9Å; H23-G305 WeakPolarHBondContact ND1-CA 3.2Å; H23-G305 PolarHBondContact ND1-N 2.94Å; D300-G305 PolarHBondContact N-O 2.96Å
306F98.9Very high98.2Very high0 Ų053 Ų530%027%0.269CS..BIsolated β-bridgetrans-122147.4176.9-64.6-87.6000109.4F18 H23 T267 I295 L296 T298 Q299 P314 D315 H318 A319 L323 L326F18-F306 HydrophobicContact CD2-CZ 4.17Å; F18-F306 HydrophobicContact CE2-CE2 4.22Å; F18-F306 AromaticContact CE2-CZ 3.98Å; F18-F306 HydrophobicContact CE2-CZ 3.98Å; H23-F306 AromaticContact CE1-CD2 3.71Å; H23-F306 AromaticContact CE1-CE2 3.21Å; H23-F306 WeakPolarHBondContact CE1-CE2 3.44Å; H23-F306 AromaticContact CE1-CZ 3.49Å; H23-F306 VanDerWaalsContact CE1-CZ 3.49Å; H23-F306 WeakPolarHBondContact CE1-CZ 3.12Å; H23-F306 AromaticContact ND1-CE2 3.71Å; H23-F306 AromaticContact NE2-CE2 3.61Å; H23-F306 AromaticContact NE2-CZ 3.56Å; T267-F306 HydrophobicContact CG2-CB 4.3Å; I295-F306 HydrophobicContact CG2-CD1 3.97Å; I295-F306 HydrophobicContact CG2-CE1 3.75Å; I295-F306 HydrophobicContact CG2-CZ 4.27Å; I295-F306 VanDerWaalsContact O-CD1 3.28Å; I295-F306 WeakPolarHBondContact O-CD1 3.35Å; I295-F306 WeakPolarHBondContact O-CE1 3.41Å; L296-F306 HydrophobicContact CD2-CE1 4.23Å; L296-F306 HydrophobicContact CD2-CZ 4.37Å; T298-F306 WeakPolarHBondContact O-CA 3.38Å; Q299-F306 HydrophobicContact CB-CD1 3.95Å; Q299-F306 HydrophobicContact CB-CE1 3.66Å; Q299-F306 HydrophobicContact CB-CZ 4.49Å; Q299-F306 HydrophobicContact CG-CE1 4.13Å; F306-P314 WeakPolarHBondContact O-CA 3.35Å; F306-P314 WeakPolarHBondContact O-CB 3.08Å; F306-D315 PolarHBondContact O-N 2.94Å; F306-H318 VanDerWaalsContact O-CB 3.29Å; F306-H318 WeakPolarHBondContact O-CB 3.3Å; F306-A319 PolarHBondContact O-N 2.83Å; F306-L323 HydrophobicContact CE2-CD2 3.86Å; F306-L323 HydrophobicContact CE2-CG 4.04Å; F306-L326 HydrophobicContact CE2-CD1 4.46Å; F306-L326 HydrophobicContact CZ-CD1 3.86Å
307A98.8Very high98.2Very high0 Ų055.4 Ų55.40%028%0.282CS..  trans-100.1176.4170.400000111T267 T298 W309 S312 H313T267-A307 VanDerWaalsContact CB-O 3.22Å; T267-A307 WeakPolarHBondContact CB-O 3.44Å; T267-A307 PolarHBondContact OG1-O 2.8Å; T298-A307 WeakPolarHBondContact CB-O 3.42Å; T298-A307 PolarHBondContact O-N 3.43Å; T298-A307 PolarHBondContact OG1-O 3.47Å; A307-W309 WeakPolarHBondContact CB-O 3.39Å; A307-S312 VanDerWaalsContact CB-O 3.27Å; A307-S312 WeakPolarHBondContact CB-O 3.47Å; A307-H313 WeakPolarHBondContact CB-O 3.37Å
308K98.5Very high98.2Very high71 Ų7154.5 Ų54.531%0.30927%0.273SS..SBendtrans-64.4-40.5170.8168.6161.5177.7138.20113.2D266 T267D266-K308 WeakPolarHBondContact CA-O 3.29Å; D266-K308 HydrophobicContact CB-CD 4.28Å; D266-K308 HydrophobicContact CB-CG 3.91Å; D266-K308 VanDerWaalsContact CG-CG 3.44Å; D266-K308 VanDerWaalsContact OD2-CD 3.24Å; D266-K308 WeakPolarHBondContact OD2-CD 3.38Å; D266-K308 WeakPolarHBondContact OD2-CE 3.49Å; D266-K308 IonicContact OD2-NZ 2.72Å; D266-K308 PolarHBondContact OD2-NZ 3.17Å; T267-K308 PolarHBondContact N-O 2.87Å; T267-K308 VanDerWaalsContact N-O 3.17Å; T267-K308 PolarHBondContact OG1-O 2.61Å
309W98.5Very high98.2Very high109 Ų10954.2 Ų54.241%0.41327%0.272SS..SBendtrans-134.9161.2-174.4-63.6-40.5000110.1P264 V265 T298 A307 S312P264-W309 HydrophobicContact CG-CZ2 3.98Å; V265-W309 PolarHBondContact O-NE1 3.04Å; T298-W309 VanDerWaalsContact CG2-C 3.49Å; A307-W309 WeakPolarHBondContact CB-O 3.39Å; W309-S312 WeakPolarHBondContact O-CB 3.45Å
310P97.8Very high98.2Very high53 Ų5353.5 Ų53.534%0.34427%0.268SS..THydrogen-bonded Turntrans-54.8151.2168.2-24.235.7000111.4S297 T298 S312S297-P310 WeakPolarHBondContact O-CA 3.49Å; S297-P310 WeakPolarHBondContact O-CB 3.41Å; S297-P310 WeakPolarHBondContact OG-CG 3.35Å; T298-P310 HydrophobicContact CG2-CG 4.26Å; P310-S312 PolarHBondContact O-N 3.48Å; P310-S312 PolarHBondContact O-OG 3.2Å
311D95.6Very high98.3Very high176 Ų17651.6 Ų51.694%0.94126%0.258SS*.THydrogen-bonded Turntrans53.627177.8-54-44.9000114.7
312S97.9Very high98.3Very high47 Ų4745.8 Ų45.833%0.32924%0.236SC..SBendtrans-114.3161.3177.6-620000111.3A307 W309 P310A307-S312 VanDerWaalsContact CB-O 3.27Å; A307-S312 WeakPolarHBondContact CB-O 3.47Å; W309-S312 WeakPolarHBondContact O-CB 3.45Å; P310-S312 PolarHBondContact O-N 3.48Å; P310-S312 PolarHBondContact O-OG 3.2Å
313H98.1Very high98.4Very high159 Ų15939.1 Ų39.174%0.73620%0.201SC*.  trans-70.2133.3179.5-67.3-51.2000112A307A307-H313 WeakPolarHBondContact CB-O 3.37Å
314P98.6Very high98.5Very high12 Ų1236.2 Ų36.28%0.07818%0.184CC..  trans-74.3154.4175.932.2-36.6000111.7F26 D300 V303 F306F26-P314 HydrophobicContact CE2-CB 4.09Å; F26-P314 HydrophobicContact CE2-CG 4.06Å; F26-P314 HydrophobicContact CZ-CB 4.38Å; D300-P314 HydrophobicContact CB-CB 4.24Å; D300-P314 HydrophobicContact CB-CG 3.72Å; V303-P314 HydrophobicContact CG2-CG 3.7Å; F306-P314 WeakPolarHBondContact O-CA 3.35Å; F306-P314 WeakPolarHBondContact O-CB 3.08Å
315D98.8Very high98.5Very high44 Ų4436.2 Ų36.224%0.23518%0.184CC..  trans-143.8162.3175.265.968.6000111.4F306 L317 H318 A319F306-D315 PolarHBondContact O-N 2.94Å; D315-L317 VanDerWaalsContact C-N 3.27Å; D315-L317 PolarHBondContact O-N 3.16Å; D315-L317 WeakPolarHBondContact OD1-CB 3.48Å; D315-L317 PolarHBondContact OD1-N 3.4Å; D315-H318 PolarHBondContact O-N 3.34Å; D315-H318 IonicContact OD1-CG 3.54Å; D315-H318 PolarHBondContact OD1-N 3.14Å; D315-H318 IonicContact OD1-ND1 2.76Å; D315-H318 PolarHBondContact OD1-ND1 2.95Å; D315-H318 IonicContact OD2-CE1 3.41Å; D315-H318 IonicContact OD2-CG 3.67Å; D315-H318 IonicContact OD2-ND1 3.4Å; D315-H318 PolarHBondContact OD2-ND1 3.02Å; D315-A319 WeakPolarHBondContact O-CB 3.29Å; D315-A319 PolarHBondContact O-N 2.72Å
316P98.6Very high98.5Very high12 Ų1236.2 Ų36.28%0.07818%0.184CC..Hα-helixtrans-57.7-34.4-176.6-28.537.5000114.8T30 I48 F51 Y320T30-P316 HydrophobicContact CG2-CB 4.04Å; T30-P316 HydrophobicContact CG2-CG 3.63Å; I48-P316 HydrophobicContact CG2-CB 4.24Å; I48-P316 HydrophobicContact CG2-CG 4.04Å; F51-P316 HydrophobicContact CB-CB 4.13Å; F51-P316 HydrophobicContact CD2-CB 4.31Å; P316-Y320 WeakPolarHBondContact O-CB 3.45Å; P316-Y320 PolarHBondContact O-N 3.31Å
317L98.8Very high98.5Very high56 Ų5636.5 Ų36.529%0.29319%0.186SC..Hα-helixtrans-69.8-52.6-178.2178154.6000110.5F51 C268 D315 A319 Y320 L321F51-L317 HydrophobicContact CD2-CB 4.15Å; F51-L317 HydrophobicContact CE2-CB 3.76Å; F51-L317 HydrophobicContact CE2-CD1 4.13Å; F51-L317 HydrophobicContact CE2-CG 4.14Å; F51-L317 HydrophobicContact CZ-CB 4.11Å; F51-L317 HydrophobicContact CZ-CD1 3.96Å; F51-L317 HydrophobicContact CZ-CG 3.99Å; C268-L317 HydrophobicContact CB-CD2 3.99Å; D315-L317 VanDerWaalsContact C-N 3.27Å; D315-L317 PolarHBondContact O-N 3.16Å; D315-L317 WeakPolarHBondContact OD1-CB 3.48Å; D315-L317 PolarHBondContact OD1-N 3.4Å; L317-A319 VanDerWaalsContact C-N 3.33Å; L317-Y320 PolarHBondContact O-N 3.18Å; L317-L321 HydrophobicContact CD2-CD1 3.78Å; L317-L321 HydrophobicContact CG-CD1 4.04Å; L317-L321 WeakPolarHBondContact O-CB 3.49Å; L317-L321 WeakPolarHBondContact O-CG 3.34Å; L317-L321 PolarHBondContact O-N 2.82Å
318H98.9Very high98.5Very high22 Ų2237.2 Ų37.210%0.10219%0.189CC..Hα-helixtrans-69.7-34.5179.9-65.492.3000111.3D266 F306 D315 Y320 G322D266-H318 IonicContact OD1-CD2 3.52Å; D266-H318 PolarHBondContact OD1-CD2 3.23Å; D266-H318 VanDerWaalsContact OD1-CD2 3.31Å; D266-H318 IonicContact OD1-NE2 2.69Å; D266-H318 PolarHBondContact OD1-NE2 3.16Å; D266-H318 IonicContact OD2-NE2 3.49Å; F306-H318 VanDerWaalsContact O-CB 3.29Å; F306-H318 WeakPolarHBondContact O-CB 3.3Å; D315-H318 PolarHBondContact O-N 3.34Å; D315-H318 IonicContact OD1-CG 3.54Å; D315-H318 PolarHBondContact OD1-N 3.14Å; D315-H318 IonicContact OD1-ND1 2.76Å; D315-H318 PolarHBondContact OD1-ND1 2.95Å; D315-H318 IonicContact OD2-CE1 3.41Å; D315-H318 IonicContact OD2-CG 3.67Å; D315-H318 IonicContact OD2-ND1 3.4Å; D315-H318 PolarHBondContact OD2-ND1 3.02Å; H318-Y320 PolarHBondContact O-N 3.07Å; H318-G322 WeakPolarHBondContact O-CA 3.31Å; H318-G322 PolarHBondContact O-N 3.05Å
319A98.9Very high98.5Very high0 Ų035.1 Ų35.10%018%0.181CC..Hα-helixtrans-58.1-48.1173.100000111.8F26 F27 F306 D315 L317 L323F26-A319 HydrophobicContact CD1-CB 3.96Å; F26-A319 HydrophobicContact CE1-CB 3.48Å; F26-A319 VanDerWaalsContact CE1-CB 3.48Å; F26-A319 HydrophobicContact CZ-CB 4.2Å; F27-A319 HydrophobicContact CE1-CB 3.78Å; F27-A319 HydrophobicContact CZ-CB 3.77Å; F306-A319 PolarHBondContact O-N 2.83Å; D315-A319 WeakPolarHBondContact O-CB 3.29Å; D315-A319 PolarHBondContact O-N 2.72Å; L317-A319 VanDerWaalsContact C-N 3.33Å; A319-L323 WeakPolarHBondContact O-CG 3.5Å; A319-L323 PolarHBondContact O-N 3.49Å
320Y98.9Very high98.5Very high0 Ų032.7 Ų32.70%019%0.19CC..Hα-helixtrans-67.8-52.3178.4173.4-116.4000112.1F50 F51 S54 V58 P316 L317 H318 G322 L323 C324 N342F50-Y320 HydrophobicContact CE1-CD1 4.48Å; F50-Y320 AromaticContact CE1-CE1 3.93Å; F50-Y320 HydrophobicContact CE1-CE1 3.93Å; F50-Y320 HydrophobicContact CZ-CE1 4.04Å; F51-Y320 HydrophobicContact CB-CG 4.39Å; F51-Y320 AromaticContact CD1-CD1 3.46Å; F51-Y320 HydrophobicContact CD1-CD1 3.46Å; F51-Y320 VanDerWaalsContact CD1-CD1 3.46Å; F51-Y320 HydrophobicContact CD1-CE1 4.21Å; F51-Y320 HydrophobicContact CD1-CG 4.04Å; F51-Y320 HydrophobicContact CE1-CD1 4.05Å; F51-Y320 HydrophobicContact CG-CD1 4.44Å; S54-Y320 WeakPolarHBondContact OG-CE2 3.28Å; S54-Y320 VanDerWaalsContact OG-CZ 3.23Å; S54-Y320 PolarHBondContact OG-OH 3.32Å; V58-Y320 HydrophobicContact CG2-CE2 4.24Å; P316-Y320 WeakPolarHBondContact O-CB 3.45Å; P316-Y320 PolarHBondContact O-N 3.31Å; L317-Y320 PolarHBondContact O-N 3.18Å; H318-Y320 PolarHBondContact O-N 3.07Å; Y320-G322 VanDerWaalsContact C-N 3.3Å; Y320-G322 PolarHBondContact O-N 3.42Å; Y320-L323 WeakPolarHBondContact O-CB 3.44Å; Y320-L323 PolarHBondContact O-N 3.33Å; Y320-L323 VanDerWaalsContact O-N 3.1Å; Y320-C324 WeakPolarHBondContact CE2-SG 3.42Å; Y320-C324 PolarHBondContact O-N 2.9Å; Y320-C324 PolarHBondContact O-SG 2.96Å; Y320-N342 VanDerWaalsContact CE1-OD1 3.23Å; Y320-N342 WeakPolarHBondContact CE1-OD1 3.32Å; Y320-N342 PolarHBondContact OH-O 2.82Å; Y320-N342 PolarHBondContact OH-OD1 2.9Å
321L98.9Very high98.5Very high0 Ų031 Ų310%018%0.178CC..Hα-helixtrans-70.2-26.6-175.4-63.8-178.6000113.1C268 F271 W272 L317 C324 G325C268-L321 HydrophobicContact CB-CB 4.13Å; C268-L321 HydrophobicContact CB-CD1 3.68Å; F271-L321 HydrophobicContact CB-CB 4.17Å; F271-L321 HydrophobicContact CB-CD2 4.12Å; F271-L321 HydrophobicContact CD1-CD2 3.53Å; F271-L321 HydrophobicContact CE1-CD2 4.14Å; F271-L321 HydrophobicContact CG-CD2 3.92Å; W272-L321 HydrophobicContact CZ2-CD1 3.63Å; L317-L321 HydrophobicContact CD2-CD1 3.78Å; L317-L321 HydrophobicContact CG-CD1 4.04Å; L317-L321 WeakPolarHBondContact O-CB 3.49Å; L317-L321 WeakPolarHBondContact O-CG 3.34Å; L317-L321 PolarHBondContact O-N 2.82Å; L321-C324 PolarHBondContact O-N 3.48Å; L321-G325 PolarHBondContact O-N 3.37Å
322G98.9Very high98.5Very high0 Ų026.5 Ų26.50%016%0.158CC..Hα-helixtrans-63.3-45.6168.500000111.8H318 Y320 C324 G325 L326H318-G322 WeakPolarHBondContact O-CA 3.31Å; H318-G322 PolarHBondContact O-N 3.05Å; Y320-G322 VanDerWaalsContact C-N 3.3Å; Y320-G322 PolarHBondContact O-N 3.42Å; G322-C324 PolarHBondContact O-N 2.93Å; G322-G325 PolarHBondContact O-N 3.08Å; G322-L326 PolarHBondContact O-N 2.89Å
323L98.9Very high98.3Very high0 Ų030.1 Ų30.10%017%0.174CC..Hα-helixtrans-62.7-40.5173.5-70.2173.9000112.5F18 F27 V58 L59 F306 A319 Y320 G325 L326 S327 L334F18-L323 HydrophobicContact CE2-CD2 3.46Å; F18-L323 VanDerWaalsContact CE2-CD2 3.46Å; F18-L323 HydrophobicContact CZ-CD2 3.38Å; F27-L323 HydrophobicContact CE2-CD1 3.43Å; F27-L323 VanDerWaalsContact CE2-CD1 3.43Å; F27-L323 HydrophobicContact CZ-CD1 3.84Å; V58-L323 HydrophobicContact CG1-CB 4.06Å; L59-L323 HydrophobicContact CD1-CD1 3.92Å; L59-L323 HydrophobicContact CD2-CD1 4.08Å; L59-L323 HydrophobicContact CD2-CD2 3.93Å; L59-L323 HydrophobicContact CG-CD1 3.91Å; F306-L323 HydrophobicContact CE2-CD2 3.86Å; F306-L323 HydrophobicContact CE2-CG 4.04Å; A319-L323 WeakPolarHBondContact O-CG 3.5Å; A319-L323 PolarHBondContact O-N 3.49Å; Y320-L323 WeakPolarHBondContact O-CB 3.44Å; Y320-L323 PolarHBondContact O-N 3.33Å; Y320-L323 VanDerWaalsContact O-N 3.1Å; L323-G325 VanDerWaalsContact C-N 3.3Å; L323-G325 PolarHBondContact O-N 3.35Å; L323-L326 PolarHBondContact O-N 3.49Å; L323-S327 VanDerWaalsContact O-CB 3.32Å; L323-S327 WeakPolarHBondContact O-CB 3.4Å; L323-S327 PolarHBondContact O-N 3.19Å; L323-L334 HydrophobicContact CD2-CD1 4.23Å; L323-L334 HydrophobicContact CD2-CD2 4.29Å
324C98.9Very high98.3Very high0 Ų023.7 Ų23.70%015%0.145CC..Hα-helixtrans-63.7-38.3174.5-57.80000111.6F271 Y320 L321 G322 S327 L328 V337F271-C324 HydrophobicContact CB-CB 4.08Å; F271-C324 HydrophobicContact CD2-CB 3.3Å; F271-C324 HydrophobicContact CE2-CB 3.9Å; F271-C324 HydrophobicContact CG-CB 3.86Å; Y320-C324 WeakPolarHBondContact CE2-SG 3.42Å; Y320-C324 PolarHBondContact O-N 2.9Å; Y320-C324 PolarHBondContact O-SG 2.96Å; L321-C324 PolarHBondContact O-N 3.48Å; G322-C324 PolarHBondContact O-N 2.93Å; C324-S327 WeakPolarHBondContact O-CB 3.31Å; C324-S327 PolarHBondContact O-N 2.94Å; C324-L328 WeakPolarHBondContact O-CG 3.44Å; C324-L328 PolarHBondContact O-N 3.33Å; C324-V337 HydrophobicContact CB-CG1 4.13Å; C324-V337 HydrophobicContact CB-CG2 4.39Å
325G98.8Very high98.3Very high0 Ų026.3 Ų26.30%015%0.153CC..Hα-helixtrans-61.5-41.8173.300000113.2L321 G322 L323L321-G325 PolarHBondContact O-N 3.37Å; G322-G325 PolarHBondContact O-N 3.08Å; L323-G325 VanDerWaalsContact C-N 3.3Å; L323-G325 PolarHBondContact O-N 3.35Å
326L98.8Very high98.3Very high0 Ų029.8 Ų29.80%017%0.166CC..Hα-helixtrans-66.8-40173.1-70.8174.8000112F18 R292 I295 L296 F306 G322 L323 L328 I329 G330 E331 L334F18-L326 HydrophobicContact CD2-CD1 3.91Å; F18-L326 HydrophobicContact CE2-CD1 3.99Å; R292-L326 HydrophobicContact CG-CD2 3.99Å; I295-L326 HydrophobicContact CB-CD2 4.22Å; I295-L326 HydrophobicContact CB-CG 4.46Å; I295-L326 HydrophobicContact CD1-CD2 4.02Å; I295-L326 HydrophobicContact CD1-CG 4.18Å; I295-L326 HydrophobicContact CG2-CD1 4.04Å; I295-L326 HydrophobicContact CG2-CD2 4.12Å; I295-L326 HydrophobicContact CG2-CG 3.85Å; L296-L326 HydrophobicContact CD2-CD1 4.05Å; L296-L326 HydrophobicContact CD2-CD2 4.49Å; F306-L326 HydrophobicContact CE2-CD1 4.46Å; F306-L326 HydrophobicContact CZ-CD1 3.86Å; G322-L326 PolarHBondContact O-N 2.89Å; L323-L326 PolarHBondContact O-N 3.49Å; L326-L328 VanDerWaalsContact C-N 3.33Å; L326-L328 PolarHBondContact O-N 3.31Å; L326-I329 HydrophobicContact CD2-CD1 4.16Å; L326-I329 WeakPolarHBondContact O-CG1 3.35Å; L326-I329 PolarHBondContact O-N 3.3Å; L326-G330 PolarHBondContact O-N 3.44Å; L326-E331 HydrophobicContact CB-CB 3.82Å; L326-E331 HydrophobicContact CB-CG 4.22Å; L326-E331 WeakPolarHBondContact O-CB 3.1Å; L326-E331 PolarHBondContact O-N 3.38Å; L326-L334 HydrophobicContact CB-CD1 3.62Å
327S98.8Very high98.3Very high6 Ų629.2 Ų29.24%0.04216%0.162CC..Hα-helixtrans-60.6-40176175.20000112.2L323 C324 I329 G330 R335 K336 V337L323-S327 VanDerWaalsContact O-CB 3.32Å; L323-S327 WeakPolarHBondContact O-CB 3.4Å; L323-S327 PolarHBondContact O-N 3.19Å; C324-S327 WeakPolarHBondContact O-CB 3.31Å; C324-S327 PolarHBondContact O-N 2.94Å; S327-I329 VanDerWaalsContact C-N 3.33Å; S327-I329 PolarHBondContact O-N 3.28Å; S327-G330 PolarHBondContact O-N 3.12Å; S327-G330 VanDerWaalsContact O-N 3.13Å; S327-R335 PolarHBondContact OG-O 3.37Å; S327-K336 WeakPolarHBondContact OG-CA 3.3Å; S327-V337 PolarHBondContact OG-N 3.11Å
328L98.8Very high98.3Very high15 Ų1528 Ų288%0.07916%0.155CC..Hα-helixtrans-62.1-37177.8-72.5173.3000112.9F271 A275 E278 F283 C324 L326 G330 V337F271-L328 HydrophobicContact CD2-CD1 4.19Å; A275-L328 HydrophobicContact CB-CD1 4.15Å; E278-L328 HydrophobicContact CB-CD2 4.33Å; E278-L328 HydrophobicContact CG-CD2 4.27Å; F283-L328 HydrophobicContact CD1-CB 4.45Å; F283-L328 HydrophobicContact CE1-CB 3.66Å; F283-L328 WeakPolarHBondContact CE1-O 3.5Å; F283-L328 HydrophobicContact CZ-CB 3.87Å; C324-L328 WeakPolarHBondContact O-CG 3.44Å; C324-L328 PolarHBondContact O-N 3.33Å; L326-L328 VanDerWaalsContact C-N 3.33Å; L326-L328 PolarHBondContact O-N 3.31Å; L328-G330 VanDerWaalsContact C-N 3.27Å; L328-G330 PolarHBondContact O-N 2.87Å; L328-V337 HydrophobicContact CD2-CG2 3.82Å; L328-V337 HydrophobicContact CG-CG2 3.99Å
329I98.3Very high98.3Very high26 Ų2627.8 Ų27.813%0.13316%0.156CC..THydrogen-bonded Turntrans-84.41.2177.963.5170.4000113.3F283 F288 R292 L326 S327F283-I329 HydrophobicContact CE1-CG2 3.78Å; F283-I329 HydrophobicContact CZ-CG2 3.54Å; F288-I329 HydrophobicContact CB-CB 4.31Å; F288-I329 HydrophobicContact CB-CG2 4.15Å; F288-I329 HydrophobicContact CD1-CB 4.36Å; F288-I329 HydrophobicContact CD1-CG2 3.65Å; F288-I329 HydrophobicContact CD2-CB 3.99Å; F288-I329 HydrophobicContact CD2-CG2 4.18Å; F288-I329 HydrophobicContact CE1-CG2 4Å; F288-I329 HydrophobicContact CE2-CB 4.36Å; F288-I329 HydrophobicContact CG-CB 3.99Å; F288-I329 HydrophobicContact CG-CG2 3.74Å; F288-I329 HydrophobicContact CZ-CG2 4.42Å; R292-I329 HydrophobicContact CB-CD1 3.53Å; R292-I329 HydrophobicContact CG-CD1 3.86Å; L326-I329 HydrophobicContact CD2-CD1 4.16Å; L326-I329 WeakPolarHBondContact O-CG1 3.35Å; L326-I329 PolarHBondContact O-N 3.3Å; S327-I329 VanDerWaalsContact C-N 3.33Å; S327-I329 PolarHBondContact O-N 3.28Å
330G97.9Very high98.3Very high59 Ų5927.9 Ų27.961%0.60816%0.157SC*.THydrogen-bonded Turntrans7933.7178.200000114.6L326 S327 L328L326-G330 PolarHBondContact O-N 3.44Å; S327-G330 PolarHBondContact O-N 3.12Å; S327-G330 VanDerWaalsContact O-N 3.13Å; L328-G330 VanDerWaalsContact C-N 3.27Å; L328-G330 PolarHBondContact O-N 2.87Å
331E97.8Very high98.2Very high16 Ų1627.9 Ų27.98%0.07516%0.157CC..  trans-52.4132.5172.6-173.369-156.800110.7F18 R292 L326 L334F18-E331 HydrophobicContact CD1-CG 4.49Å; R292-E331 WeakPolarHBondContact CD-OE2 3.37Å; R292-E331 IonicContact CZ-OE1 3.57Å; R292-E331 IonicContact CZ-OE2 3.51Å; R292-E331 IonicContact NE-OE1 3.92Å; R292-E331 IonicContact NE-OE2 3.76Å; R292-E331 PolarHBondContact NE-OE2 2.95Å; R292-E331 IonicContact NH2-OE1 3.51Å; R292-E331 PolarHBondContact NH2-OE1 3.48Å; R292-E331 IonicContact NH2-OE2 2.67Å; R292-E331 PolarHBondContact NH2-OE2 3.29Å; L326-E331 HydrophobicContact CB-CB 3.82Å; L326-E331 HydrophobicContact CB-CG 4.22Å; L326-E331 WeakPolarHBondContact O-CB 3.1Å; L326-E331 PolarHBondContact O-N 3.38Å; E331-L334 HydrophobicContact CB-CD1 3.87Å; E331-L334 HydrophobicContact CB-CG 4.19Å; E331-L334 HydrophobicContact CG-CD1 4.07Å; E331-L334 HydrophobicContact CG-CG 4.26Å
332P96.2Very high98.2Very high83 Ų8328.1 Ų28.154%0.53916%0.158SC..THydrogen-bonded Turntrans-54.6151176.6-26.335.3000112.9L334P332-L334 PolarHBondContact O-N 3.33Å; P332-L334 VanDerWaalsContact O-N 3.07Å
333D93.3Very high98.2Very high123 Ų12328.1 Ų28.166%0.65816%0.158SC*.THydrogen-bonded Turntrans6211.5176-53.5-40.8000116.3K20K20-D333 HydrophobicContact CD-CB 4.11Å; K20-D333 PolarHBondContact NZ-O 3.11Å
334L98.5Very high98.2Very high24 Ų2428.1 Ų28.113%0.12616%0.158CC..  trans-106.2136.8170.2-58.5-167.2000111.4F18 V58 L59 L323 L326 E331 P332F18-L334 HydrophobicContact CE1-CD2 3.65Å; F18-L334 HydrophobicContact CE1-CG 4.3Å; F18-L334 HydrophobicContact CZ-CD1 4.49Å; F18-L334 HydrophobicContact CZ-CD2 3.77Å; V58-L334 HydrophobicContact CG1-CB 4.24Å; V58-L334 HydrophobicContact CG1-CD1 4.42Å; V58-L334 HydrophobicContact CG1-CD2 4.3Å; V58-L334 CarbonylContact O-C 3.53Å; V58-L334 WeakPolarHBondContact O-CA 3.22Å; L59-L334 HydrophobicContact CD2-CD2 3.74Å; L323-L334 HydrophobicContact CD2-CD1 4.23Å; L323-L334 HydrophobicContact CD2-CD2 4.29Å; L326-L334 HydrophobicContact CB-CD1 3.62Å; E331-L334 HydrophobicContact CB-CD1 3.87Å; E331-L334 HydrophobicContact CB-CG 4.19Å; E331-L334 HydrophobicContact CG-CD1 4.07Å; E331-L334 HydrophobicContact CG-CG 4.26Å; P332-L334 PolarHBondContact O-N 3.33Å; P332-L334 VanDerWaalsContact O-N 3.07Å
335R98.6Very high98.2Very high66 Ų6630.9 Ų30.925%0.24917%0.171CC..PPolyproline II helixtrans-69.4142.1169.9-61.9-167.3175.5162.8-16.6110.1D57 V58 D60 S327 V337 T344D57-R335 WeakPolarHBondContact O-CD 3.28Å; D57-R335 IonicContact OD1-CZ 2.66Å; D57-R335 IonicContact OD1-NH1 3.28Å; D57-R335 PolarHBondContact OD1-NH1 3.5Å; V58-R335 PolarHBondContact O-N 3.08Å; D60-R335 HydrophobicContact CB-CG 4.24Å; D60-R335 IonicContact OD1-CZ 3.63Å; D60-R335 IonicContact OD1-NE 3.37Å; D60-R335 PolarHBondContact OD1-NE 3.46Å; D60-R335 IonicContact OD1-NH1 3.71Å; D60-R335 IonicContact OD1-NH2 3.47Å; D60-R335 PolarHBondContact OD1-NH2 3.39Å; D60-R335 IonicContact OD2-NE 2.79Å; D60-R335 IonicContact OD2-NH2 3.86Å; S327-R335 PolarHBondContact OG-O 3.37Å; R335-V337 PolarHBondContact O-N 3.4Å; R335-T344 HydrophobicContact CB-CG2 4.08Å
336K98.6Very high98.2Very high117 Ų11734.2 Ų34.251%0.50918%0.184SC..PPolyproline II helixtrans-62.6133174-171.3171.1-176.4174.10110.4E278 S327 Q345E278-K336 IonicContact OE1-NZ 3.72Å; E278-K336 PolarHBondContact OE1-NZ 3.22Å; S327-K336 WeakPolarHBondContact OG-CA 3.3Å; K336-Q345 PolarHBondContact O-N 3.03Å
337V98.6Very high98.2Very high0 Ų034.2 Ų34.20%018%0.184CC..EExtended strand (participates in β ladder)trans-86.9141.7172.8-66.40000111.5V58 F271 C324 S327 L328 R335 P339V58-V337 HydrophobicContact CG2-CG1 3.73Å; F271-V337 HydrophobicContact CE2-CG2 4.35Å; C324-V337 HydrophobicContact CB-CG1 4.13Å; C324-V337 HydrophobicContact CB-CG2 4.39Å; S327-V337 PolarHBondContact OG-N 3.11Å; L328-V337 HydrophobicContact CD2-CG2 3.82Å; L328-V337 HydrophobicContact CG-CG2 3.99Å; R335-V337 PolarHBondContact O-N 3.4Å; V337-P339 WeakPolarHBondContact O-CD 3.39Å
338H98.8Very high98.2Very high30 Ų3034.5 Ų34.514%0.13918%0.184CC..EExtended strand (participates in β ladder)trans-79.6115.1168.2-175.6-65.4000108.9A340 L341 N342 I343 F348H338-A340 PolarHBondContact ND1-N 3.25Å; H338-A340 PolarHBondContact O-N 3.15Å; H338-L341 PolarHBondContact ND1-N 2.95Å; H338-N342 PolarHBondContact O-N 3.4Å; H338-I343 PolarHBondContact N-O 3.45Å; H338-F348 HydrophobicContact CB-CB 4.28Å; H338-F348 HydrophobicContact CB-CG 4.48Å; H338-F348 AromaticContact CD2-CD1 3.47Å; H338-F348 VanDerWaalsContact CD2-CD1 3.47Å; H338-F348 WeakPolarHBondContact CD2-CD1 3.49Å; H338-F348 AromaticContact CD2-CD2 3.72Å; H338-F348 AromaticContact CD2-CE1 3.58Å; H338-F348 AromaticContact CD2-CE2 3.81Å; H338-F348 AromaticContact CD2-CG 3.5Å; H338-F348 AromaticContact CD2-CZ 3.73Å; H338-F348 AromaticContact NE2-CE1 3.76Å; H338-F348 AromaticContact NE2-CE2 3.68Å; H338-F348 AromaticContact NE2-CZ 3.5Å; H338-F348 WeakPolarHBondContact NE2-CZ 3.16Å
339P98.5Very high98.2Very high18 Ų1838.2 Ų38.212%0.11720%0.201CC..THydrogen-bonded Turntrans-67.6-32.5-16625.5-35.1000113.9Y221 A275 E278 L279 V337Y221-P339 VanDerWaalsContact CE2-O 3.27Å; Y221-P339 WeakPolarHBondContact CE2-O 3.44Å; Y221-P339 PolarHBondContact OH-O 2.65Å; A275-P339 HydrophobicContact CB-CB 3.9Å; E278-P339 HydrophobicContact CB-CB 4.27Å; E278-P339 HydrophobicContact CB-CG 4.5Å; E278-P339 HydrophobicContact CG-CB 4.11Å; E278-P339 HydrophobicContact CG-CG 3.88Å; L279-P339 HydrophobicContact CD2-CB 4.16Å; L279-P339 HydrophobicContact CD2-CG 3.77Å; L279-P339 HydrophobicContact CG-CB 4.02Å; L279-P339 HydrophobicContact CG-CG 4.13Å; V337-P339 WeakPolarHBondContact O-CD 3.39Å
340A98.8Very high98.2Very high3 Ų338.8 Ų38.83%0.02520%0.203CC..THydrogen-bonded Turntrans-78.6-48.7179.300000113.8Y173 Y221 A225 L229 L279 H338Y173-A340 WeakPolarHBondContact CE2-O 3.42Å; Y173-A340 PolarHBondContact OH-O 2.94Å; Y221-A340 PolarHBondContact OH-O 2.66Å; Y221-A340 VanDerWaalsContact OH-O 3.12Å; A225-A340 HydrophobicContact CB-CB 4.35Å; L229-A340 HydrophobicContact CD2-CB 3.85Å; L229-A340 HydrophobicContact CG-CB 3.99Å; L279-A340 HydrophobicContact CD1-CB 4.27Å; L279-A340 HydrophobicContact CD2-CB 3.98Å; H338-A340 PolarHBondContact ND1-N 3.25Å; H338-A340 PolarHBondContact O-N 3.15Å
341L98.5Very high98.3Very high0 Ų036 Ų360%017%0.174CC..THydrogen-bonded Turntrans-82.3-11.7-178-78.1174000115.4Y123 Y180 M181 L229 H338 I343 F348 L351Y123-L341 PolarHBondContact OH-O 3.05Å; Y123-L341 VanDerWaalsContact OH-O 3.11Å; Y180-L341 HydrophobicContact CD1-CD1 3.75Å; Y180-L341 HydrophobicContact CD1-CD2 4.06Å; Y180-L341 HydrophobicContact CD1-CG 4.3Å; Y180-L341 HydrophobicContact CE1-CD1 3.69Å; M181-L341 HydrophobicContact CG-CD2 4.34Å; L229-L341 HydrophobicContact CD1-CD2 4.07Å; L229-L341 HydrophobicContact CD2-CD1 4.49Å; L229-L341 HydrophobicContact CD2-CD2 3.67Å; L229-L341 HydrophobicContact CD2-CG 3.67Å; H338-L341 PolarHBondContact ND1-N 2.95Å; L341-I343 HydrophobicContact CB-CD1 4.29Å; L341-I343 HydrophobicContact CB-CG1 4Å; L341-I343 HydrophobicContact CD1-CD1 4.35Å; L341-I343 PolarHBondContact O-N 3.16Å; L341-F348 HydrophobicContact CD1-CD2 3.49Å; L341-F348 VanDerWaalsContact CD1-CD2 3.49Å; L341-F348 HydrophobicContact CD1-CE2 3.68Å; L341-L351 HydrophobicContact CD1-CD2 3.86Å
342N98.6Very high98.3Very high4 Ų439.4 Ų39.42%0.02119%0.19CC..THydrogen-bonded Turntrans57.546.8179.5-174.124.8000112.5F50 F271 Y320 H338F50-N342 WeakPolarHBondContact CZ-O 3.47Å; F271-N342 HydrophobicContact CE1-CB 4.17Å; F271-N342 HydrophobicContact CZ-CB 3.78Å; F271-N342 VanDerWaalsContact CZ-OD1 3.26Å; F271-N342 WeakPolarHBondContact CZ-OD1 3.48Å; Y320-N342 VanDerWaalsContact CE1-OD1 3.23Å; Y320-N342 WeakPolarHBondContact CE1-OD1 3.32Å; Y320-N342 PolarHBondContact OH-O 2.82Å; Y320-N342 PolarHBondContact OH-OD1 2.9Å; H338-N342 PolarHBondContact O-N 3.4Å
343I98.8Very high98.4Very high0 Ų041.6 Ų41.60%019%0.193CC..EExtended strand (participates in β ladder)trans-137.2169.5171.659.4178.4000108.4F50 C127 I131 H338 L341 A347 F348F50-I343 HydrophobicContact CE2-CG2 4.2Å; C127-I343 HydrophobicContact CB-CG2 3.89Å; I131-I343 HydrophobicContact CD1-CG2 4.03Å; I131-I343 HydrophobicContact CG1-CG2 4.29Å; H338-I343 PolarHBondContact N-O 3.45Å; L341-I343 HydrophobicContact CB-CD1 4.29Å; L341-I343 HydrophobicContact CB-CG1 4Å; L341-I343 HydrophobicContact CD1-CD1 4.35Å; L341-I343 PolarHBondContact O-N 3.16Å; I343-A347 HydrophobicContact CB-CB 4.2Å; I343-A347 HydrophobicContact CD1-CB 3.97Å; I343-A347 HydrophobicContact CG1-CB 4.3Å; I343-F348 HydrophobicContact CD1-CB 4.26Å; I343-F348 HydrophobicContact CG1-CB 4.44Å
344T98.9Very high98.7Very high0 Ų036.7 Ų36.70%017%0.167CC..EExtended strand (participates in β ladder)trans-65.8154.6174.567.50000112D57 V58 R335 R346 A347 F348D57-T344 HydrophobicContact CB-CG2 3.89Å; D57-T344 VanDerWaalsContact CG-OG1 3.31Å; D57-T344 WeakPolarHBondContact OD2-CB 3.38Å; D57-T344 VanDerWaalsContact OD2-CG2 3.22Å; D57-T344 WeakPolarHBondContact OD2-CG2 3.36Å; D57-T344 PolarHBondContact OD2-OG1 3.37Å; V58-T344 HydrophobicContact CB-CG2 4.42Å; V58-T344 HydrophobicContact CG2-CG2 3.74Å; R335-T344 HydrophobicContact CB-CG2 4.08Å; T344-R346 PolarHBondContact O-N 2.91Å; T344-A347 PolarHBondContact O-N 3.41Å; T344-A347 VanDerWaalsContact O-N 3.15Å; T344-A347 PolarHBondContact OG1-N 3.23Å; T344-A347 VanDerWaalsContact OG1-N 3.14Å; T344-F348 PolarHBondContact O-N 2.98Å
345Q98.8Very high98.7Very high58 Ų5836.3 Ų36.327%0.27116%0.164SC..Hα-helixtrans-57.4-30.7172.5-172.163.739.700111.8K336 F348 Q349K336-Q345 PolarHBondContact O-N 3.03Å; Q345-F348 PolarHBondContact O-N 3.42Å; Q345-Q349 WeakPolarHBondContact O-CB 3.43Å; Q345-Q349 VanDerWaalsContact O-CG 3.22Å; Q345-Q349 WeakPolarHBondContact O-CG 3.24Å; Q345-Q349 PolarHBondContact O-N 3.44Å
346R98.7Very high98.6Very high70 Ų7037.8 Ų37.826%0.26417%0.174SC..Hα-helixtrans-64.1-51.5173.9178.6-149.260.486.1-0.3111.6D57 I131 T344 F348 Q349 H350D57-R346 IonicContact OD1-CZ 2.65Å; D57-R346 IonicContact OD1-NE 3.56Å; D57-R346 PolarHBondContact OD1-NE 3.02Å; D57-R346 IonicContact OD1-NH2 3.3Å; D57-R346 PolarHBondContact OD1-NH2 3.31Å; D57-R346 IonicContact OD2-CZ 2.63Å; D57-R346 IonicContact OD2-NE 3.05Å; D57-R346 IonicContact OD2-NH2 3.4Å; D57-R346 PolarHBondContact OD2-NH2 3.43Å; I131-R346 PolarHBondContact O-NH2 3.3Å; T344-R346 PolarHBondContact O-N 2.91Å; R346-F348 PolarHBondContact O-N 3.21Å; R346-Q349 PolarHBondContact O-N 3.49Å; R346-H350 PolarHBondContact O-N 2.79Å
347A98.8Very high98.5Very high0 Ų035.6 Ų35.60%017%0.171CC..Hα-helixtrans-61.8-35.9177.400000111.4I131 I343 T344 H350 L351I131-A347 HydrophobicContact CG1-CB 4.01Å; I343-A347 HydrophobicContact CB-CB 4.2Å; I343-A347 HydrophobicContact CD1-CB 3.97Å; I343-A347 HydrophobicContact CG1-CB 4.3Å; T344-A347 PolarHBondContact O-N 3.41Å; T344-A347 VanDerWaalsContact O-N 3.15Å; T344-A347 PolarHBondContact OG1-N 3.23Å; T344-A347 VanDerWaalsContact OG1-N 3.14Å; A347-H350 WeakPolarHBondContact O-CB 3.26Å; A347-H350 PolarHBondContact O-N 2.74Å; A347-L351 PolarHBondContact O-N 3.32Å
348F98.8Very high98.4Very high12 Ų1238.4 Ų38.45%0.05318%0.182CC..Hα-helixtrans-64.8-42.4173.2-179.7-109.4000113.2Y180 H338 L341 I343 T344 Q345 R346 H350 L351 Q352Y180-F348 AromaticContact CE1-CE2 3.77Å; Y180-F348 HydrophobicContact CE1-CE2 3.77Å; Y180-F348 AromaticContact CZ-CE2 3.99Å; Y180-F348 WeakPolarHBondContact OH-CE2 3.32Å; Y180-F348 WeakPolarHBondContact OH-CZ 3.27Å; H338-F348 HydrophobicContact CB-CB 4.28Å; H338-F348 HydrophobicContact CB-CG 4.48Å; H338-F348 AromaticContact CD2-CD1 3.47Å; H338-F348 VanDerWaalsContact CD2-CD1 3.47Å; H338-F348 WeakPolarHBondContact CD2-CD1 3.49Å; H338-F348 AromaticContact CD2-CD2 3.72Å; H338-F348 AromaticContact CD2-CE1 3.58Å; H338-F348 AromaticContact CD2-CE2 3.81Å; H338-F348 AromaticContact CD2-CG 3.5Å; H338-F348 AromaticContact CD2-CZ 3.73Å; H338-F348 AromaticContact NE2-CE1 3.76Å; H338-F348 AromaticContact NE2-CE2 3.68Å; H338-F348 AromaticContact NE2-CZ 3.5Å; H338-F348 WeakPolarHBondContact NE2-CZ 3.16Å; L341-F348 HydrophobicContact CD1-CD2 3.49Å; L341-F348 VanDerWaalsContact CD1-CD2 3.49Å; L341-F348 HydrophobicContact CD1-CE2 3.68Å; I343-F348 HydrophobicContact CD1-CB 4.26Å; I343-F348 HydrophobicContact CG1-CB 4.44Å; T344-F348 PolarHBondContact O-N 2.98Å; Q345-F348 PolarHBondContact O-N 3.42Å; R346-F348 PolarHBondContact O-N 3.21Å; F348-H350 VanDerWaalsContact C-N 3.31Å; F348-H350 PolarHBondContact O-N 2.73Å; F348-L351 HydrophobicContact CD2-CD2 4.37Å; F348-L351 WeakPolarHBondContact O-CB 3.42Å; F348-L351 PolarHBondContact O-N 2.95Å; F348-Q352 HydrophobicContact CD1-CG 4.24Å; F348-Q352 HydrophobicContact CE1-CG 3.9Å; F348-Q352 HydrophobicContact CE2-CG 4.38Å; F348-Q352 HydrophobicContact CZ-CG 3.99Å; F348-Q352 WeakPolarHBondContact O-CG 3.29Å; F348-Q352 PolarHBondContact O-N 2.81Å
349Q98.8Very high98.3Very high94 Ų9443.3 Ų43.344%0.43920%0.199SC..Hα-helixtrans-62.1-39175.3-75.7164.9-11.100112Q345 R346 Q352 Q353Q345-Q349 WeakPolarHBondContact O-CB 3.43Å; Q345-Q349 VanDerWaalsContact O-CG 3.22Å; Q345-Q349 WeakPolarHBondContact O-CG 3.24Å; Q345-Q349 PolarHBondContact O-N 3.44Å; R346-Q349 PolarHBondContact O-N 3.49Å; Q349-Q352 PolarHBondContact O-N 2.99Å; Q349-Q353 WeakPolarHBondContact O-CG 3.48Å; Q349-Q353 PolarHBondContact O-N 3.23Å
350H98.8Very high98.1Very high38 Ų3846.8 Ų46.818%0.17622%0.216CC..Hα-helixtrans-58.4-47.9171.9177.861.3000111.3D134 R346 A347 F348 Q352 Q353 L354D134-H350 PolarHBondContact O-NE2 2.99Å; R346-H350 PolarHBondContact O-N 2.79Å; A347-H350 WeakPolarHBondContact O-CB 3.26Å; A347-H350 PolarHBondContact O-N 2.74Å; F348-H350 VanDerWaalsContact C-N 3.31Å; F348-H350 PolarHBondContact O-N 2.73Å; H350-Q352 PolarHBondContact O-N 2.8Å; H350-Q353 PolarHBondContact O-N 2.89Å; H350-L354 WeakPolarHBondContact O-CG 3.43Å; H350-L354 PolarHBondContact O-N 3.21Å
351L98.8Very high97.7Very high0 Ų051.2 Ų51.20%024%0.24CC..Hα-helixtrans-55.8-47.3173.717263.6000112.2L130 Y180 M181 L341 A347 F348 Q353 L354 Q355L130-L351 HydrophobicContact CD1-CB 4.21Å; L130-L351 HydrophobicContact CD1-CD1 4.07Å; L130-L351 HydrophobicContact CD1-CD2 4.25Å; L130-L351 HydrophobicContact CD1-CG 4.41Å; L130-L351 HydrophobicContact CD2-CB 4.12Å; L130-L351 HydrophobicContact CD2-CD1 4.1Å; Y180-L351 HydrophobicContact CD1-CD2 4.11Å; Y180-L351 HydrophobicContact CE1-CD2 3.99Å; M181-L351 HydrophobicContact CB-CD1 4.43Å; M181-L351 HydrophobicContact CB-CD2 4.49Å; M181-L351 HydrophobicContact CG-CD2 3.97Å; M181-L351 VanDerWaalsContact O-CD1 3.32Å; M181-L351 WeakPolarHBondContact O-CD1 3.27Å; L341-L351 HydrophobicContact CD1-CD2 3.86Å; A347-L351 PolarHBondContact O-N 3.32Å; F348-L351 HydrophobicContact CD2-CD2 4.37Å; F348-L351 WeakPolarHBondContact O-CB 3.42Å; F348-L351 PolarHBondContact O-N 2.95Å; L351-Q353 VanDerWaalsContact C-N 3.29Å; L351-Q353 PolarHBondContact O-N 3.48Å; L351-L354 WeakPolarHBondContact O-CB 3.44Å; L351-L354 PolarHBondContact O-N 2.91Å; L351-L354 VanDerWaalsContact O-N 3.16Å; L351-Q355 HydrophobicContact CD1-CG 3.96Å; L351-Q355 HydrophobicContact CG-CG 4.38Å; L351-Q355 WeakPolarHBondContact O-CG 3.22Å; L351-Q355 PolarHBondContact O-N 3.26Å
352Q98.6Very high97.1Very high88 Ų8853.9 Ų53.941%0.41126%0.262SS..Hα-helixtrans-59.8-39.3179.5-69.2-177.3-62.400112.2F348 Q349 H350 Q355 Q356F348-Q352 HydrophobicContact CD1-CG 4.24Å; F348-Q352 HydrophobicContact CE1-CG 3.9Å; F348-Q352 HydrophobicContact CE2-CG 4.38Å; F348-Q352 HydrophobicContact CZ-CG 3.99Å; F348-Q352 WeakPolarHBondContact O-CG 3.29Å; F348-Q352 PolarHBondContact O-N 2.81Å; Q349-Q352 PolarHBondContact O-N 2.99Å; H350-Q352 PolarHBondContact O-N 2.8Å; Q352-Q355 PolarHBondContact O-N 3.13Å; Q352-Q356 WeakPolarHBondContact O-CB 3.13Å; Q352-Q356 PolarHBondContact O-N 3.15Å
353Q98.6Very high95.9Very high129 Ų12955.8 Ų55.860%0.60328%0.282SS*.Hα-helixtrans-65.5-41.4175.9-69.5169.76.300112Q349 H350 L351 Q356 T357Q349-Q353 WeakPolarHBondContact O-CG 3.48Å; Q349-Q353 PolarHBondContact O-N 3.23Å; H350-Q353 PolarHBondContact O-N 2.89Å; L351-Q353 VanDerWaalsContact C-N 3.29Å; L351-Q353 PolarHBondContact O-N 3.48Å; Q353-Q356 PolarHBondContact O-N 3.22Å; Q353-T357 PolarHBondContact O-N 3.18Å; Q353-T357 PolarHBondContact O-OG1 3.49Å
354L98.4Very high94.3Very high20 Ų2058.8 Ų58.811%0.10530%0.303CS..Hα-helixtrans-62.2-47175.3-67.6178.2000111.7L130 D135 H350 L351 Q356 T357 W358L130-L354 HydrophobicContact CD2-CD1 3.81Å; D135-L354 HydrophobicContact CB-CD2 3.9Å; H350-L354 WeakPolarHBondContact O-CG 3.43Å; H350-L354 PolarHBondContact O-N 3.21Å; L351-L354 WeakPolarHBondContact O-CB 3.44Å; L351-L354 PolarHBondContact O-N 2.91Å; L351-L354 VanDerWaalsContact O-N 3.16Å; L354-Q356 VanDerWaalsContact C-N 3.35Å; L354-Q356 PolarHBondContact O-N 3.36Å; L354-T357 WeakPolarHBondContact O-CB 3.45Å; L354-T357 PolarHBondContact O-N 2.66Å; L354-T357 VanDerWaalsContact O-N 3.16Å; L354-W358 HydrophobicContact CB-CZ2 4.09Å; L354-W358 VanDerWaalsContact O-CG 3.23Å; L354-W358 PolarHBondContact O-N 2.82Å
355Q98.3Very high92.6Very high15 Ų1561.9 Ų61.97%0.0733%0.329CS..Hα-helixtrans-62-42.8179.5-68.6179.3-31.600111.9Y180 D183 L351 Q352 T357 W358 R359Y180-Q355 PolarHBondContact O-NE2 2.58Å; D183-Q355 HydrophobicContact CB-CG 4.02Å; L351-Q355 HydrophobicContact CD1-CG 3.96Å; L351-Q355 HydrophobicContact CG-CG 4.38Å; L351-Q355 WeakPolarHBondContact O-CG 3.22Å; L351-Q355 PolarHBondContact O-N 3.26Å; Q352-Q355 PolarHBondContact O-N 3.13Å; Q355-T357 VanDerWaalsContact C-N 3.31Å; Q355-T357 PolarHBondContact O-N 3.08Å; Q355-W358 HydrophobicContact CG-CE3 4.12Å; Q355-W358 HydrophobicContact CG-CZ3 4Å; Q355-W358 PolarHBondContact O-N 3.45Å; Q355-R359 WeakPolarHBondContact O-CG 3.42Å; Q355-R359 PolarHBondContact O-N 2.81Å
356Q97.8Very high90.5Very high97 Ų9764.8 Ų64.845%0.45335%0.346SS..Hα-helixtrans-58.7-46.4174.2-172.859.35000111Q352 Q353 L354 W358 R359 D360Q352-Q356 WeakPolarHBondContact O-CB 3.13Å; Q352-Q356 PolarHBondContact O-N 3.15Å; Q353-Q356 PolarHBondContact O-N 3.22Å; L354-Q356 VanDerWaalsContact C-N 3.35Å; L354-Q356 PolarHBondContact O-N 3.36Å; Q356-W358 VanDerWaalsContact C-N 3.32Å; Q356-W358 PolarHBondContact O-N 3.28Å; Q356-R359 PolarHBondContact O-N 3.2Å; Q356-D360 PolarHBondContact NE2-OD1 3.14Å; Q356-D360 PolarHBondContact NE2-OD2 3.24Å; Q356-D360 PolarHBondContact O-N 3.4Å
357T97.1Very high88.4Confident72 Ų7265.4 Ų65.444%0.44236%0.361SS..Hα-helixtrans-59-41.7177-55.30000112Q353 L354 Q355 N361Q353-T357 PolarHBondContact O-N 3.18Å; Q353-T357 PolarHBondContact O-OG1 3.49Å; L354-T357 WeakPolarHBondContact O-CB 3.45Å; L354-T357 PolarHBondContact O-N 2.66Å; L354-T357 VanDerWaalsContact O-N 3.16Å; Q355-T357 VanDerWaalsContact C-N 3.31Å; Q355-T357 PolarHBondContact O-N 3.08Å; T357-N361 WeakPolarHBondContact O-CB 3.45Å; T357-N361 PolarHBondContact O-N 2.89Å; T357-N361 VanDerWaalsContact O-N 3.08Å; T357-N361 PolarHBondContact O-ND2 3.17Å
358W96.5Very high85.9Confident59 Ų5967.6 Ų67.622%0.22338%0.383CS..Hα-helixtrans-64.5-42.9177.1-60-20.7000112.4L136 K141 D183 L354 Q355 Q356 N361 A362L136-W358 HydrophobicContact CB-CZ2 4.3Å; L136-W358 HydrophobicContact CD1-CH2 4.19Å; K141-W358 VanDerWaalsContact NZ-CH2 3.29Å; D183-W358 HydrophobicContact CB-CE3 4.17Å; D183-W358 HydrophobicContact CB-CZ3 4.28Å; L354-W358 HydrophobicContact CB-CZ2 4.09Å; L354-W358 VanDerWaalsContact O-CG 3.23Å; L354-W358 PolarHBondContact O-N 2.82Å; Q355-W358 HydrophobicContact CG-CE3 4.12Å; Q355-W358 HydrophobicContact CG-CZ3 4Å; Q355-W358 PolarHBondContact O-N 3.45Å; Q356-W358 VanDerWaalsContact C-N 3.32Å; Q356-W358 PolarHBondContact O-N 3.28Å; W358-N361 PolarHBondContact O-N 2.89Å; W358-A362 PolarHBondContact O-N 3.13Å
359R95.3Very high83.5Confident132 Ų13270.5 Ų70.550%0.49841%0.41SS..Hα-helixtrans-66.4-41.8178.3-68.7176.4-170.6-179.13.7112.1D183 Q355 Q356 N361 A362 G363D183-R359 IonicContact OD1-CZ 3.09Å; D183-R359 IonicContact OD1-NE 2.72Å; D183-R359 IonicContact OD1-NH2 2.87Å; D183-R359 PolarHBondContact OD1-NH2 2.9Å; D183-R359 IonicContact OD2-CZ 3.66Å; D183-R359 IonicContact OD2-NE 3.77Å; D183-R359 PolarHBondContact OD2-NE 3.36Å; D183-R359 IonicContact OD2-NH2 2.73Å; D183-R359 PolarHBondContact OD2-NH2 3.15Å; Q355-R359 WeakPolarHBondContact O-CG 3.42Å; Q355-R359 PolarHBondContact O-N 2.81Å; Q356-R359 PolarHBondContact O-N 3.2Å; R359-N361 VanDerWaalsContact C-N 3.33Å; R359-N361 PolarHBondContact O-N 2.9Å; R359-A362 PolarHBondContact O-N 3.1Å; R359-G363 PolarHBondContact O-N 3Å
360D94.5Very high80.9Confident91 Ų9173 Ų7349%0.48743%0.426SS..Hα-helixtrans-62.4-42.9177.1-67.3-19.6000111Q356 G363 S364Q356-D360 PolarHBondContact NE2-OD1 3.14Å; Q356-D360 PolarHBondContact NE2-OD2 3.24Å; Q356-D360 PolarHBondContact O-N 3.4Å; D360-G363 PolarHBondContact O-N 3.21Å; D360-S364 WeakPolarHBondContact O-CB 3.45Å; D360-S364 PolarHBondContact O-N 2.92Å; D360-S364 PolarHBondContact O-OG 3.15Å
361N90.8Very high78.3Confident97 Ų9775 Ų7552%0.51945%0.45SS..Hα-helixtrans-63.9-42.2175.6-71.9-23.4000112T357 W358 R359 S364 A365T357-N361 WeakPolarHBondContact O-CB 3.45Å; T357-N361 PolarHBondContact O-N 2.89Å; T357-N361 VanDerWaalsContact O-N 3.08Å; T357-N361 PolarHBondContact O-ND2 3.17Å; W358-N361 PolarHBondContact O-N 2.89Å; R359-N361 VanDerWaalsContact C-N 3.33Å; R359-N361 PolarHBondContact O-N 2.9Å; N361-S364 PolarHBondContact O-N 3.37Å; N361-S364 PolarHBondContact O-OG 3.45Å; N361-A365 PolarHBondContact O-N 3.22Å; N361-A365 VanDerWaalsContact O-N 3.1Å
362A86.2Confident75.8Confident56 Ų5681.3 Ų81.346%0.46349%0.488SS..Hα-helixtrans-64.9-39.817600000112.7W358 R359 N366W358-A362 PolarHBondContact O-N 3.13Å; R359-A362 PolarHBondContact O-N 3.1Å; A362-N366 PolarHBondContact O-N 2.84Å
363G73.8Confident73.1Confident43 Ų4382.7 Ų82.744%0.44351%0.506SS..Hα-helixtrans-66-41.7175.600000113R359 D360 N366 S367R359-G363 PolarHBondContact O-N 3Å; D360-G363 PolarHBondContact O-N 3.21Å; G363-N366 PolarHBondContact O-N 3.4Å; G363-S367 PolarHBondContact O-N 3.45Å; G363-S367 VanDerWaalsContact O-N 3.11Å
364S64.9Low70Confident64 Ų6486.6 Ų86.645%0.44855%0.545SS..Hα-helixtrans-64.6-39.3177.2720000112.8D360 N361 N366 S367 G368D360-S364 WeakPolarHBondContact O-CB 3.45Å; D360-S364 PolarHBondContact O-N 2.92Å; D360-S364 PolarHBondContact O-OG 3.15Å; N361-S364 PolarHBondContact O-N 3.37Å; N361-S364 PolarHBondContact O-OG 3.45Å; S364-N366 VanDerWaalsContact C-N 3.31Å; S364-N366 PolarHBondContact O-N 3.11Å; S364-S367 WeakPolarHBondContact CA-OG 3.45Å; S364-S367 PolarHBondContact O-N 3.32Å; S364-S367 PolarHBondContact O-OG 3.34Å; S364-G368 PolarHBondContact O-N 2.79Å; S364-G368 VanDerWaalsContact O-N 3.15Å
365A62.5Low68.6Low65 Ų6589.9 Ų89.954%0.53757%0.567SS.*Hα-helixtrans-62.5-35.8176.300000112.7N361N361-A365 PolarHBondContact O-N 3.22Å; N361-A365 VanDerWaalsContact O-N 3.1Å
366N55.5Low67.1Low119 Ų11993.8 Ų93.864%0.63659%0.593SS**Hα-helixtrans-74-34.1175.4-74.8-16.5000112.6A362 G363 S364 G368 A369A362-N366 PolarHBondContact O-N 2.84Å; G363-N366 PolarHBondContact O-N 3.4Å; S364-N366 VanDerWaalsContact C-N 3.31Å; S364-N366 PolarHBondContact O-N 3.11Å; N366-G368 VanDerWaalsContact C-N 3.32Å; N366-G368 PolarHBondContact O-N 3.46Å; N366-A369 PolarHBondContact O-N 3.4Å
367S52.8Low65.3Low83 Ų8393.7 Ų93.758%0.5860%0.601SS**Hα-helixtrans-72-20.7175.764.20000114.8G363 S364G363-S367 PolarHBondContact O-N 3.45Å; G363-S367 VanDerWaalsContact O-N 3.11Å; S364-S367 WeakPolarHBondContact CA-OG 3.45Å; S364-S367 PolarHBondContact O-N 3.32Å; S364-S367 PolarHBondContact O-OG 3.34Å
368G47.4Very low63.5Low45 Ų4594.9 Ų94.946%0.46461%0.61SS.*Hα-helixtrans-82.9-17.9176.100000114.4S364 N366S364-G368 PolarHBondContact O-N 2.79Å; S364-G368 VanDerWaalsContact O-N 3.15Å; N366-G368 VanDerWaalsContact C-N 3.32Å; N366-G368 PolarHBondContact O-N 3.46Å
369A48.1Very low61.4Low73 Ų7397.2 Ų97.260%0.60363%0.634SS**Hα-helixtrans-78.8-24.8179.200000113.1N366N366-A369 PolarHBondContact O-N 3.4Å
370D43.4Very low59.2Low146 Ų14694.9 Ų94.978%0.78164%0.643SS**THydrogen-bonded Turntrans-87.5-4.1178.1-71-24.7000113.6
371A45.4Very low56.6Low82 Ų8295.1 Ų95.168%0.67865%0.654SS**THydrogen-bonded Turntrans-964-177.100000114.6
372V45.3Very low54Low131 Ų13195 Ų9579%0.79467%0.665SS**SBendtrans-115.256.4174.5-167.10000110
373C41.9Very low51.3Low118 Ų11898.3 Ų98.380%0.79768%0.682SS**  trans-160.277160.6-150.80000109.9
374C34.9Very low49.3Very low210 Ų210103.3 Ų103.3100%1.41970%0.703SS**  trans-154.70155.4-920000108.8

Retrieved 374 of 374 residues in 84.1 ms (Link to these results)

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