A0A077ZDR0_TRITR Loading...

Acetohydroxy-acid reductoisomerase

AlphaFold DB , UniProt , Accession A0A077ZDR0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 491 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
1M78.3Confident95.5Very high136 Ų13675.4 Ų75.467%0.6739%0.392SS*.  0147.70-78.672.3176.400107.6R116 V139M1-R116 VanDerWaalsContact CE-NH2 3.28Å; M1-R116 PolarHBondContact SD-NH2 3.47Å; M1-V139 WeakPolarHBondContact CB-O 3.38Å
2A90.9Very high95.8Very high71 Ų7175.8 Ų75.859%0.58739%0.391SS*.  trans-80.3142.7172.400000109.2Y4 G140A2-Y4 PolarHBondContact O-N 2.94Å; A2-G140 WeakPolarHBondContact O-CA 3.2Å
3N96.7Very high96Very high21 Ų2172.5 Ų72.511%0.11237%0.373CS..  trans-55.6125.6173.3178.6-63.4000109.9F5 N6 T7 V137 E138N3-F5 PolarHBondContact O-N 3.2Å; N3-F5 WeakPolarHBondContact OD1-CB 3.41Å; N3-F5 PolarHBondContact OD1-N 3.38Å; N3-N6 HydrophobicContact CB-CB 4.19Å; N3-N6 PolarHBondContact O-N 2.88Å; N3-N6 PolarHBondContact OD1-N 2.78Å; N3-N6 VanDerWaalsContact OD1-N 3.16Å; N3-T7 WeakPolarHBondContact O-CG2 3.37Å; N3-T7 PolarHBondContact O-N 2.84Å; N3-V137 PolarHBondContact OD1-O 2.93Å; N3-E138 WeakPolarHBondContact CA-O 3.15Å; N3-E138 WeakPolarHBondContact ND2-CA 3.29Å; N3-E138 PolarHBondContact ND2-O 3.12Å; N3-E138 PolarHBondContact ND2-OE2 3.47Å
4Y98.2Very high96.1Very high16 Ų1673.2 Ų73.26%0.06338%0.377CS..SBendtrans-62.6-44.2-174.2165.6-100000111.6A2 N6 T7 L8 Q16 I136 V137 H178 E180 V211A2-Y4 PolarHBondContact O-N 2.94Å; Y4-N6 PolarHBondContact O-N 2.78Å; Y4-T7 WeakPolarHBondContact O-CB 3.23Å; Y4-T7 PolarHBondContact O-N 3.4Å; Y4-T7 PolarHBondContact O-OG1 3.16Å; Y4-L8 HydrophobicContact CE1-CD1 3.83Å; Y4-L8 HydrophobicContact CE1-CG 4.38Å; Y4-L8 HydrophobicContact CE2-CD2 4.3Å; Y4-Q16 PolarHBondContact OH-NE2 3.41Å; Y4-I136 WeakPolarHBondContact CB-O 3.07Å; Y4-V137 WeakPolarHBondContact CB-O 3.34Å; Y4-V137 PolarHBondContact N-O 3.14Å; Y4-H178 AromaticContact CE1-CE1 3.85Å; Y4-H178 AromaticContact CE2-CE1 3.59Å; Y4-H178 AromaticContact CZ-CE1 3.45Å; Y4-H178 VanDerWaalsContact CZ-CE1 3.45Å; Y4-E180 HydrophobicContact CE2-CG 3.94Å; Y4-V211 HydrophobicContact CD1-CG2 4.27Å; Y4-V211 HydrophobicContact CE1-CG2 3.95Å
5F98.2Very high96.2Very high2 Ų272.9 Ų72.91%0.00939%0.39CS..G310 helixtrans-59.3-35.7-179.5-178.3-99.4000112N3 T7 L8 Q13 L17 V137 V211 I308N3-F5 PolarHBondContact O-N 3.2Å; N3-F5 WeakPolarHBondContact OD1-CB 3.41Å; N3-F5 PolarHBondContact OD1-N 3.38Å; F5-T7 PolarHBondContact O-N 3.31Å; F5-L8 WeakPolarHBondContact O-CB 3.31Å; F5-L8 PolarHBondContact O-N 3.17Å; F5-Q13 HydrophobicContact CD2-CB 4.48Å; F5-Q13 HydrophobicContact CD2-CG 4.06Å; F5-Q13 HydrophobicContact CE1-CG 4.02Å; F5-Q13 HydrophobicContact CE2-CB 3.57Å; F5-Q13 HydrophobicContact CE2-CG 3.54Å; F5-Q13 HydrophobicContact CZ-CB 3.61Å; F5-Q13 HydrophobicContact CZ-CG 3.51Å; F5-Q13 PolarHBondContact O-NE2 3.33Å; F5-L17 HydrophobicContact CE2-CD1 3.97Å; F5-L17 HydrophobicContact CE2-CD2 4.4Å; F5-L17 HydrophobicContact CE2-CG 4.03Å; F5-L17 HydrophobicContact CZ-CD1 3.87Å; F5-L17 HydrophobicContact CZ-CG 4.41Å; F5-V137 HydrophobicContact CB-CG1 4.02Å; F5-V211 HydrophobicContact CD2-CB 4.41Å; F5-V211 HydrophobicContact CD2-CG1 3.4Å; F5-V211 HydrophobicContact CD2-CG2 4.09Å; F5-V211 HydrophobicContact CE2-CG1 3.5Å; F5-V211 VanDerWaalsContact CE2-CG1 3.5Å; F5-I308 VanDerWaalsContact CD1-O 3.24Å; F5-I308 WeakPolarHBondContact CD1-O 3.27Å; F5-I308 HydrophobicContact CE1-CG2 3.98Å; F5-I308 WeakPolarHBondContact CE1-O 3.32Å; F5-I308 HydrophobicContact CZ-CD1 4.29Å; F5-I308 HydrophobicContact CZ-CG2 4.42Å
6N97.8Very high96.4Very high84 Ų8469.8 Ų69.845%0.44937%0.372SS..G310 helixtrans-74.8-11.2177.5-67.5-10.7000113.8N3 Y4 L8 S309N3-N6 HydrophobicContact CB-CB 4.19Å; N3-N6 PolarHBondContact O-N 2.88Å; N3-N6 PolarHBondContact OD1-N 2.78Å; N3-N6 VanDerWaalsContact OD1-N 3.16Å; Y4-N6 PolarHBondContact O-N 2.78Å; N6-L8 VanDerWaalsContact C-N 3.34Å; N6-S309 PolarHBondContact ND2-O 3.07Å; N6-S309 PolarHBondContact OD1-O 3.37Å
7T98Very high96.5Very high89 Ų8966 Ų6655%0.54635%0.352SS..G310 helixtrans-81.4-17.6170.573.30000112.9N3 Y4 F5N3-T7 WeakPolarHBondContact O-CG2 3.37Å; N3-T7 PolarHBondContact O-N 2.84Å; Y4-T7 WeakPolarHBondContact O-CB 3.23Å; Y4-T7 PolarHBondContact O-N 3.4Å; Y4-T7 PolarHBondContact O-OG1 3.16Å; F5-T7 PolarHBondContact O-N 3.31Å
8L98.1Very high96.5Very high15 Ų1563.9 Ų63.98%0.07935%0.348CS..SBendtrans-84.4142.5-179.9-56.8-177.2000110.4Y4 F5 N6 Q12 Q13Y4-L8 HydrophobicContact CE1-CD1 3.83Å; Y4-L8 HydrophobicContact CE1-CG 4.38Å; Y4-L8 HydrophobicContact CE2-CD2 4.3Å; F5-L8 WeakPolarHBondContact O-CB 3.31Å; F5-L8 PolarHBondContact O-N 3.17Å; N6-L8 VanDerWaalsContact C-N 3.34Å; L8-Q12 HydrophobicContact CB-CB 3.88Å; L8-Q12 HydrophobicContact CD1-CB 4.49Å; L8-Q12 HydrophobicContact CD2-CB 4.24Å; L8-Q12 HydrophobicContact CG-CB 4.43Å; L8-Q13 HydrophobicContact CB-CG 3.69Å; L8-Q13 PolarHBondContact O-NE2 2.99Å
9N98.1Very high96.6Very high81 Ų8163.8 Ų63.843%0.43334%0.344SS..  trans-76.9165.7167.165.853.1000111.2R11 Q12 Q13N9-R11 PolarHBondContact O-N 3.05Å; N9-R11 VanDerWaalsContact O-N 3.07Å; N9-R11 WeakPolarHBondContact OD1-CB 3.17Å; N9-R11 PolarHBondContact OD1-N 3.23Å; N9-R11 VanDerWaalsContact OD1-N 3.13Å; N9-Q12 PolarHBondContact ND2-OE1 3.3Å; N9-Q12 WeakPolarHBondContact O-CA 3.16Å; N9-Q12 WeakPolarHBondContact O-CB 3.18Å; N9-Q12 PolarHBondContact O-N 2.92Å; N9-Q12 PolarHBondContact OD1-N 3.23Å; N9-Q12 VanDerWaalsContact OD1-N 3.09Å; N9-Q13 WeakPolarHBondContact O-CG 3.46Å; N9-Q13 PolarHBondContact O-N 3.13Å
10L98.3Very high96.5Very high122 Ų12261.8 Ų61.864%0.63933%0.334SS*.Hα-helixtrans-48.1-42.6-178-176.570.6000113.8Q12 Q13 L14L10-Q12 PolarHBondContact O-N 3.06Å; L10-Q13 PolarHBondContact O-N 3.2Å; L10-L14 HydrophobicContact CD1-CD1 4.28Å; L10-L14 HydrophobicContact CD1-CG 4.43Å; L10-L14 HydrophobicContact CG-CD1 3.98Å; L10-L14 WeakPolarHBondContact O-CB 3.36Å; L10-L14 WeakPolarHBondContact O-CG 3.35Å; L10-L14 PolarHBondContact O-N 3.13Å
11R98.2Very high96.5Very high192 Ų19263.5 Ų63.573%0.72534%0.336SS*.Hα-helixtrans-66.3-39.4-179.7-176.7176.864.694.1-0.2111.9N9 A15N9-R11 PolarHBondContact O-N 3.05Å; N9-R11 VanDerWaalsContact O-N 3.07Å; N9-R11 WeakPolarHBondContact OD1-CB 3.17Å; N9-R11 PolarHBondContact OD1-N 3.23Å; N9-R11 VanDerWaalsContact OD1-N 3.13Å; R11-A15 WeakPolarHBondContact O-CB 3.24Å; R11-A15 PolarHBondContact O-N 3.13Å; R11-A15 VanDerWaalsContact O-N 3.09Å
12Q98.4Very high97.2Very high81 Ų8159.6 Ų59.638%0.37932%0.315SS..Hα-helixtrans-71.6-38.3176.7-70.2167.5-48.800111.6L8 N9 L10 A15 Q16L8-Q12 HydrophobicContact CB-CB 3.88Å; L8-Q12 HydrophobicContact CD1-CB 4.49Å; L8-Q12 HydrophobicContact CD2-CB 4.24Å; L8-Q12 HydrophobicContact CG-CB 4.43Å; N9-Q12 PolarHBondContact ND2-OE1 3.3Å; N9-Q12 WeakPolarHBondContact O-CA 3.16Å; N9-Q12 WeakPolarHBondContact O-CB 3.18Å; N9-Q12 PolarHBondContact O-N 2.92Å; N9-Q12 PolarHBondContact OD1-N 3.23Å; N9-Q12 VanDerWaalsContact OD1-N 3.09Å; L10-Q12 PolarHBondContact O-N 3.06Å; Q12-A15 PolarHBondContact O-N 3.4Å; Q12-Q16 PolarHBondContact O-N 3.06Å
13Q98.4Very high97.4Very high33 Ų3356.5 Ų56.515%0.15429%0.289CS..Hα-helixtrans-59.1-54.5173.9-69.6175.3-23.200110.6F5 L8 N9 L10 A15 Q16 L17F5-Q13 HydrophobicContact CD2-CB 4.48Å; F5-Q13 HydrophobicContact CD2-CG 4.06Å; F5-Q13 HydrophobicContact CE1-CG 4.02Å; F5-Q13 HydrophobicContact CE2-CB 3.57Å; F5-Q13 HydrophobicContact CE2-CG 3.54Å; F5-Q13 HydrophobicContact CZ-CB 3.61Å; F5-Q13 HydrophobicContact CZ-CG 3.51Å; F5-Q13 PolarHBondContact O-NE2 3.33Å; L8-Q13 HydrophobicContact CB-CG 3.69Å; L8-Q13 PolarHBondContact O-NE2 2.99Å; N9-Q13 WeakPolarHBondContact O-CG 3.46Å; N9-Q13 PolarHBondContact O-N 3.13Å; L10-Q13 PolarHBondContact O-N 3.2Å; Q13-A15 VanDerWaalsContact C-N 3.29Å; Q13-A15 PolarHBondContact O-N 2.98Å; Q13-Q16 PolarHBondContact O-N 3.32Å; Q13-Q16 VanDerWaalsContact O-N 3.09Å; Q13-L17 WeakPolarHBondContact O-CB 3.38Å; Q13-L17 WeakPolarHBondContact O-CG 3.28Å; Q13-L17 PolarHBondContact O-N 3Å
14L98.1Very high97.3Very high82 Ų8256.7 Ų56.743%0.42930%0.296SS..Hα-helixtrans-59.5-37.4178.1-73.4169.1000112.6L10 Q16 G18L10-L14 HydrophobicContact CD1-CD1 4.28Å; L10-L14 HydrophobicContact CD1-CG 4.43Å; L10-L14 HydrophobicContact CG-CD1 3.98Å; L10-L14 WeakPolarHBondContact O-CB 3.36Å; L10-L14 WeakPolarHBondContact O-CG 3.35Å; L10-L14 PolarHBondContact O-N 3.13Å; L14-Q16 VanDerWaalsContact C-N 3.27Å; L14-Q16 PolarHBondContact O-N 3.22Å; L14-G18 WeakPolarHBondContact O-CA 3.42Å; L14-G18 PolarHBondContact O-N 2.68Å
15A97.9Very high96.9Very high69 Ų6963.1 Ų63.157%0.5732%0.32SS*.Hα-helixtrans-63.6-32.1177.600000113R11 Q12 Q13R11-A15 WeakPolarHBondContact O-CB 3.24Å; R11-A15 PolarHBondContact O-N 3.13Å; R11-A15 VanDerWaalsContact O-N 3.09Å; Q12-A15 PolarHBondContact O-N 3.4Å; Q13-A15 VanDerWaalsContact C-N 3.29Å; Q13-A15 PolarHBondContact O-N 2.98Å
16Q98.4Very high96.7Very high23 Ų2369.1 Ų69.111%0.10735%0.352CS..Hα-helixtrans-88.9-41.6177-62.9-159.745.200112.6Y4 Q12 Q13 L14 G18 K19 S209 V211 A212Y4-Q16 PolarHBondContact OH-NE2 3.41Å; Q12-Q16 PolarHBondContact O-N 3.06Å; Q13-Q16 PolarHBondContact O-N 3.32Å; Q13-Q16 VanDerWaalsContact O-N 3.09Å; L14-Q16 VanDerWaalsContact C-N 3.27Å; L14-Q16 PolarHBondContact O-N 3.22Å; Q16-G18 VanDerWaalsContact C-N 3.29Å; Q16-G18 PolarHBondContact O-N 2.81Å; Q16-K19 WeakPolarHBondContact O-CB 3.3Å; Q16-K19 PolarHBondContact O-N 3.01Å; Q16-K19 VanDerWaalsContact O-N 3.13Å; Q16-S209 PolarHBondContact O-OG 3.34Å; Q16-V211 HydrophobicContact CB-CB 3.72Å; Q16-V211 HydrophobicContact CB-CG1 4.12Å; Q16-V211 HydrophobicContact CB-CG2 4.01Å; Q16-A212 WeakPolarHBondContact O-CB 3.3Å
17L98Very high96.8Very high5 Ų567.7 Ų67.73%0.02634%0.343CS..Hα-helixtrans-57.2-43.5173.7-75.1167000111.6F5 Q13 K19 V211 K215 I308 G380 I381F5-L17 HydrophobicContact CE2-CD1 3.97Å; F5-L17 HydrophobicContact CE2-CD2 4.4Å; F5-L17 HydrophobicContact CE2-CG 4.03Å; F5-L17 HydrophobicContact CZ-CD1 3.87Å; F5-L17 HydrophobicContact CZ-CG 4.41Å; Q13-L17 WeakPolarHBondContact O-CB 3.38Å; Q13-L17 WeakPolarHBondContact O-CG 3.28Å; Q13-L17 PolarHBondContact O-N 3Å; L17-K19 PolarHBondContact O-N 2.71Å; L17-V211 HydrophobicContact CD2-CG1 3.87Å; L17-V211 HydrophobicContact CG-CG1 3.93Å; L17-K215 HydrophobicContact CD2-CB 3.88Å; L17-K215 HydrophobicContact CD2-CG 3.91Å; L17-I308 HydrophobicContact CD1-CD1 4.22Å; L17-I308 HydrophobicContact CD2-CD1 4.07Å; L17-G380 CarbonylContact C-O 3.59Å; L17-I381 HydrophobicContact CD2-CG1 4Å
18G97.6Very high96.8Very high28 Ų2864 Ų6429%0.28932%0.319SS..THydrogen-bonded Turntrans-77.24.3179.500000114.5L14 Q16 C20 G380 I382L14-G18 WeakPolarHBondContact O-CA 3.42Å; L14-G18 PolarHBondContact O-N 2.68Å; Q16-G18 VanDerWaalsContact C-N 3.29Å; Q16-G18 PolarHBondContact O-N 2.81Å; G18-C20 PolarHBondContact O-N 3.37Å; G18-G380 PolarHBondContact N-O 3.11Å; G18-I382 WeakPolarHBondContact O-CG1 3.35Å
19K97.3Very high96.7Very high63 Ų6367.4 Ų67.427%0.27435%0.349SS..  trans-85.3101-178.7-166.8175179.2-165.90109.6Q16 L17 E207 S208Q16-K19 WeakPolarHBondContact O-CB 3.3Å; Q16-K19 PolarHBondContact O-N 3.01Å; Q16-K19 VanDerWaalsContact O-N 3.13Å; L17-K19 PolarHBondContact O-N 2.71Å; K19-E207 WeakPolarHBondContact CE-OE1 3.49Å; K19-E207 IonicContact NZ-OE1 3.78Å; K19-E207 PolarHBondContact NZ-OE1 3.12Å; K19-S208 VanDerWaalsContact CD-O 3.28Å; K19-S208 WeakPolarHBondContact CD-O 3.39Å; K19-S208 WeakPolarHBondContact CE-O 3.48Å; K19-S208 PolarHBondContact NZ-O 2.77Å; K19-S208 VanDerWaalsContact O-CA 3.29Å; K19-S208 WeakPolarHBondContact O-CA 3.29Å; K19-S208 PolarHBondContact O-OG 3.28Å; K19-S208 VanDerWaalsContact O-OG 3.05Å
20C95.7Very high96.7Very high22 Ų2269.2 Ų69.215%0.14936%0.359CS..EExtended strand (participates in β ladder)trans-153.5125.7169.5-164.40000110.2G18 L206 E207 I382 S385G18-C20 PolarHBondContact O-N 3.37Å; C20-L206 WeakPolarHBondContact SG-CD2 3.2Å; C20-E207 CarbonylContact C-O 3.24Å; C20-E207 VanDerWaalsContact CA-O 3.3Å; C20-E207 WeakPolarHBondContact CA-O 3.41Å; C20-I382 HydrophobicContact CB-CB 3.79Å; C20-I382 HydrophobicContact CB-CG1 4.14Å; C20-I382 HydrophobicContact CB-CG2 4.09Å; C20-S385 WeakPolarHBondContact CB-OG 3.4Å; C20-S385 PolarHBondContact SG-OG 3.46Å
21R95.6Very high96.6Very high98 Ų9864.5 Ų64.537%0.3734%0.341SS..EExtended strand (participates in β ladder)trans-145.6118.2177.9-175.8-175.869.584.5-5.8110.4M23 E27 L206 E207R21-M23 PolarHBondContact O-N 2.8Å; R21-E27 IonicContact CZ-OE1 3.87Å; R21-E27 IonicContact CZ-OE2 3.75Å; R21-E27 IonicContact NH1-OE1 3.39Å; R21-E27 PolarHBondContact NH1-OE1 3.01Å; R21-E27 IonicContact NH1-OE2 2.71Å; R21-E27 PolarHBondContact NH1-OE2 3.2Å; R21-E27 IonicContact NH2-OE1 3.69Å; R21-E27 IonicContact NH2-OE2 2.68Å; R21-E27 PolarHBondContact NH2-OE2 2.91Å; R21-L206 CarbonylContact O-C 3.47Å; R21-L206 WeakPolarHBondContact O-CA 3.42Å; R21-E207 HydrophobicContact CB-CB 4.35Å; R21-E207 IonicContact CZ-OE2 3.58Å; R21-E207 PolarHBondContact N-O 2.71Å; R21-E207 IonicContact NE-OE2 3.28Å; R21-E207 PolarHBondContact NE-OE2 3.46Å; R21-E207 IonicContact NH2-OE2 2.98Å; R21-E207 PolarHBondContact NH2-OE2 3.36Å; R21-E207 PolarHBondContact O-N 2.7Å
22F93.6Very high96.6Very high54 Ų5456.1 Ų56.124%0.23731%0.312CS..EExtended strand (participates in β ladder)trans-64.9121.3170.1-162.6-83.7000109.3L206 L477 Y480F22-L206 HydrophobicContact CD2-CG 4.25Å; F22-L477 HydrophobicContact CD2-CD2 3.89Å; F22-L477 HydrophobicContact CE2-CD2 4.3Å; F22-Y480 HydrophobicContact CD1-CD2 4.19Å; F22-Y480 HydrophobicContact CD2-CD2 4.42Å; F22-Y480 HydrophobicContact CE1-CD2 4.1Å; F22-Y480 HydrophobicContact CE1-CG 4.49Å; F22-Y480 HydrophobicContact CE2-CD2 4.34Å; F22-Y480 HydrophobicContact CG-CD2 4.34Å; F22-Y480 HydrophobicContact CZ-CD2 4.17Å
23M95.7Very high96.6Very high7 Ų756.4 Ų56.43%0.03432%0.323CS..PPolyproline II helixtrans-84.1144.8-173.6-60-178.875.900111.4R21 E27 F28 I175 K192 V205 E207R21-M23 PolarHBondContact O-N 2.8Å; M23-E27 WeakPolarHBondContact CA-OE1 3.46Å; M23-E27 HydrophobicContact CE-CB 4.23Å; M23-E27 VanDerWaalsContact CE-OE2 3.27Å; M23-E27 WeakPolarHBondContact CE-OE2 3.28Å; M23-F28 HydrophobicContact CB-CE2 3.79Å; M23-F28 HydrophobicContact CB-CZ 4.42Å; M23-F28 HydrophobicContact CE-CE2 4.16Å; M23-F28 HydrophobicContact CE-CZ 4.03Å; M23-F28 HydrophobicContact SD-CE2 4Å; M23-F28 HydrophobicContact SD-CZ 3.7Å; M23-I175 HydrophobicContact CE-CD1 4.25Å; M23-I175 HydrophobicContact SD-CD1 3.61Å; M23-I175 HydrophobicContact SD-CG1 4.14Å; M23-K192 HydrophobicContact CE-CD 3.68Å; M23-K192 HydrophobicContact CE-CG 4.08Å; M23-V205 WeakPolarHBondContact CB-O 3.46Å; M23-V205 WeakPolarHBondContact CG-O 3.25Å; M23-V205 PolarHBondContact N-O 3.47Å; M23-V205 HydrophobicContact SD-CB 4.35Å; M23-V205 HydrophobicContact SD-CG1 3.84Å; M23-E207 HydrophobicContact CG-CB 3.92Å; M23-E207 HydrophobicContact SD-CB 3.87Å
24G93.7Very high96.6Very high25 Ų2559.1 Ų59.126%0.25833%0.332SS..PPolyproline II helixtrans-67.2146.1171.700000111.3D26 E27G24-D26 PolarHBondContact O-N 3.06Å; G24-E27 PolarHBondContact N-OE1 3.27Å; G24-E27 VanDerWaalsContact O-CB 3.32Å; G24-E27 WeakPolarHBondContact O-CB 3.31Å; G24-E27 PolarHBondContact O-N 3.02Å
25R89.8Confident96.7Very high150 Ų15055.2 Ų55.257%0.56631%0.312SS*.G310 helixtrans-61.1-34.3177.5-174.6-17765.1-179.1-1.9111.9E27 F28 M484R25-E27 PolarHBondContact O-N 3.31Å; R25-F28 PolarHBondContact O-N 2.85Å; R25-F28 VanDerWaalsContact O-N 3.13Å; R25-M484 HydrophobicContact CG-CE 4.4Å
26D95.2Very high96.7Very high128 Ų12857 Ų5768%0.68431%0.309SS*.G310 helixtrans-60.3-26175.554.6-64.6000113G24 F28 A29G24-D26 PolarHBondContact O-N 3.06Å; D26-F28 PolarHBondContact O-N 3.28Å; D26-F28 VanDerWaalsContact O-N 3.17Å; D26-A29 WeakPolarHBondContact O-CB 3.4Å; D26-A29 PolarHBondContact O-N 2.95Å; D26-A29 VanDerWaalsContact O-N 3.16Å
27E98.3Very high96.6Very high54 Ų5459.4 Ų59.425%0.25234%0.339SS..G310 helixtrans-69.3-11.9176.6-58.1-176.5-118.300113.4R21 M23 G24 R25 K192R21-E27 IonicContact CZ-OE1 3.87Å; R21-E27 IonicContact CZ-OE2 3.75Å; R21-E27 IonicContact NH1-OE1 3.39Å; R21-E27 PolarHBondContact NH1-OE1 3.01Å; R21-E27 IonicContact NH1-OE2 2.71Å; R21-E27 PolarHBondContact NH1-OE2 3.2Å; R21-E27 IonicContact NH2-OE1 3.69Å; R21-E27 IonicContact NH2-OE2 2.68Å; R21-E27 PolarHBondContact NH2-OE2 2.91Å; M23-E27 WeakPolarHBondContact CA-OE1 3.46Å; M23-E27 HydrophobicContact CE-CB 4.23Å; M23-E27 VanDerWaalsContact CE-OE2 3.27Å; M23-E27 WeakPolarHBondContact CE-OE2 3.28Å; G24-E27 PolarHBondContact N-OE1 3.27Å; G24-E27 VanDerWaalsContact O-CB 3.32Å; G24-E27 WeakPolarHBondContact O-CB 3.31Å; G24-E27 PolarHBondContact O-N 3.02Å; R25-E27 PolarHBondContact O-N 3.31Å; E27-K192 PolarHBondContact O-NZ 3.46Å
28F97.8Very high96.7Very high12 Ų1261.4 Ų61.45%0.05335%0.348CS..G310 helixtrans-109.120.2176.5-63.3-89.5000112.7M23 R25 D26 D30 G31 K192 A196 H201 V205M23-F28 HydrophobicContact CB-CE2 3.79Å; M23-F28 HydrophobicContact CB-CZ 4.42Å; M23-F28 HydrophobicContact CE-CE2 4.16Å; M23-F28 HydrophobicContact CE-CZ 4.03Å; M23-F28 HydrophobicContact SD-CE2 4Å; M23-F28 HydrophobicContact SD-CZ 3.7Å; R25-F28 PolarHBondContact O-N 2.85Å; R25-F28 VanDerWaalsContact O-N 3.13Å; D26-F28 PolarHBondContact O-N 3.28Å; D26-F28 VanDerWaalsContact O-N 3.17Å; F28-D30 PolarHBondContact O-N 2.92Å; F28-G31 WeakPolarHBondContact O-CA 3.42Å; F28-G31 PolarHBondContact O-N 3.06Å; F28-K192 HydrophobicContact CD1-CB 4.17Å; F28-K192 HydrophobicContact CD1-CG 4.45Å; F28-K192 HydrophobicContact CE1-CB 3.82Å; F28-K192 HydrophobicContact CE1-CD 4.29Å; F28-K192 HydrophobicContact CE1-CG 3.82Å; F28-K192 HydrophobicContact CZ-CD 4.46Å; F28-K192 HydrophobicContact CZ-CG 4.17Å; F28-A196 HydrophobicContact CD1-CB 4.33Å; F28-H201 HydrophobicContact CB-CB 3.87Å; F28-H201 HydrophobicContact CD1-CB 3.69Å; F28-H201 HydrophobicContact CD2-CB 4.01Å; F28-H201 HydrophobicContact CE1-CB 4.24Å; F28-H201 HydrophobicContact CG-CB 3.57Å; F28-V205 HydrophobicContact CE1-CB 4.34Å; F28-V205 HydrophobicContact CE1-CG1 4.35Å; F28-V205 HydrophobicContact CE1-CG2 4.08Å; F28-V205 HydrophobicContact CE2-CB 3.85Å; F28-V205 HydrophobicContact CE2-CG1 4.41Å; F28-V205 HydrophobicContact CE2-CG2 4.12Å; F28-V205 HydrophobicContact CZ-CB 3.44Å; F28-V205 VanDerWaalsContact CZ-CB 3.44Å; F28-V205 HydrophobicContact CZ-CG1 3.59Å; F28-V205 HydrophobicContact CZ-CG2 3.62Å
29A96.8Very high96.7Very high86 Ų8664.3 Ų64.371%0.71135%0.352SS*.THydrogen-bonded Turntrans-55.9-33.1177.800000113.3D26 G31D26-A29 WeakPolarHBondContact O-CB 3.4Å; D26-A29 PolarHBondContact O-N 2.95Å; D26-A29 VanDerWaalsContact O-N 3.16Å; A29-G31 PolarHBondContact O-N 3.47Å
30D97.4Very high96.8Very high119 Ų11961.3 Ų61.364%0.63634%0.339SS*.THydrogen-bonded Turntrans-75.8-4.6176.5-59.6-36.6000113.3F28 A32 S33F28-D30 PolarHBondContact O-N 2.92Å; D30-A32 PolarHBondContact O-N 2.77Å; D30-S33 WeakPolarHBondContact O-CB 3.45Å; D30-S33 PolarHBondContact O-N 2.67Å; D30-S33 PolarHBondContact O-OG 3.08Å; D30-S33 VanDerWaalsContact O-OG 3.06Å
31G97.4Very high97Very high24 Ų2460.4 Ų60.425%0.24733%0.333CS..THydrogen-bonded Turntrans48.4-126-177.600000112F28 A29 A193 A196F28-G31 WeakPolarHBondContact O-CA 3.42Å; F28-G31 PolarHBondContact O-N 3.06Å; A29-G31 PolarHBondContact O-N 3.47Å; G31-A193 WeakPolarHBondContact O-CA 3.13Å; G31-A196 VanDerWaalsContact C-CB 3.44Å; G31-A196 WeakPolarHBondContact O-CB 3.17Å
32A98Very high97.1Very high16 Ų1655.8 Ų55.813%0.13232%0.316CS..THydrogen-bonded Turntrans-93.96.4178.100000114D30 Y34 L35 Q36 L61 A197D30-A32 PolarHBondContact O-N 2.77Å; A32-Y34 VanDerWaalsContact C-N 3.26Å; A32-Y34 PolarHBondContact O-N 3.49Å; A32-Y34 VanDerWaalsContact O-N 3.13Å; A32-L35 PolarHBondContact O-N 2.88Å; A32-Q36 PolarHBondContact O-N 2.81Å; A32-L61 HydrophobicContact CB-CD1 3.66Å; A32-A197 HydrophobicContact CB-CB 3.79Å
33S98.3Very high97.3Very high86 Ų8653.2 Ų53.260%0.60131%0.305SS*.G310 helixtrans-61.7-27.9-166.8-64.40000114.5D30 L35 Q36D30-S33 WeakPolarHBondContact O-CB 3.45Å; D30-S33 PolarHBondContact O-N 2.67Å; D30-S33 PolarHBondContact O-OG 3.08Å; D30-S33 VanDerWaalsContact O-OG 3.06Å; S33-L35 PolarHBondContact O-N 3.41Å; S33-Q36 VanDerWaalsContact O-CB 3.31Å; S33-Q36 WeakPolarHBondContact O-CB 3.48Å; S33-Q36 PolarHBondContact O-N 3.48Å
34Y98.5Very high97.3Very high90 Ų9053.5 Ų53.535%0.35331%0.309SS..G310 helixtrans-62.5-26.3176.9-162.7-97.1000113.5A32 K38 E186 A189 I190A32-Y34 VanDerWaalsContact C-N 3.26Å; A32-Y34 PolarHBondContact O-N 3.49Å; A32-Y34 VanDerWaalsContact O-N 3.13Å; Y34-K38 WeakPolarHBondContact O-CD 3.33Å; Y34-K38 VanDerWaalsContact O-CE 3.23Å; Y34-K38 WeakPolarHBondContact O-CE 3.46Å; Y34-K38 PolarHBondContact O-NZ 3.04Å; Y34-E186 HydrophobicContact CE1-CB 4.38Å; Y34-E186 WeakPolarHBondContact OH-CB 3.32Å; Y34-E186 PolarHBondContact OH-OE2 3.43Å; Y34-A189 HydrophobicContact CD1-CB 3.91Å; Y34-A189 HydrophobicContact CD2-CB 3.77Å; Y34-A189 HydrophobicContact CE1-CB 3.94Å; Y34-A189 HydrophobicContact CE2-CB 3.79Å; Y34-A189 HydrophobicContact CG-CB 3.83Å; Y34-I190 HydrophobicContact CD1-CG1 3.87Å; Y34-I190 HydrophobicContact CE1-CD1 4.47Å; Y34-I190 HydrophobicContact CE1-CG1 3.62Å
35L98.7Very high97.5Very high1 Ų152.6 Ų52.61%0.00530%0.299CS..G310 helixtrans-98.5-1.2176.7-70.4173.1000112.8A32 S33 G37 K38 V40 L61 L101 I190 A193 W194A32-L35 PolarHBondContact O-N 2.88Å; S33-L35 PolarHBondContact O-N 3.41Å; L35-G37 PolarHBondContact O-N 3.02Å; L35-K38 HydrophobicContact CD2-CD 4.26Å; L35-K38 WeakPolarHBondContact O-CB 3.28Å; L35-K38 PolarHBondContact O-N 3.19Å; L35-V40 HydrophobicContact CD2-CG2 4.43Å; L35-L61 HydrophobicContact CB-CD2 3.78Å; L35-L61 HydrophobicContact CB-CG 4.06Å; L35-L61 HydrophobicContact CD1-CD2 3.97Å; L35-L101 HydrophobicContact CD1-CD2 4.04Å; L35-L101 HydrophobicContact CD2-CB 4.37Å; L35-L101 HydrophobicContact CD2-CD2 4.06Å; L35-I190 HydrophobicContact CD2-CG2 4.39Å; L35-A193 HydrophobicContact CB-CB 4.37Å; L35-A193 HydrophobicContact CD1-CB 3.91Å; L35-A193 HydrophobicContact CG-CB 3.86Å; L35-W194 HydrophobicContact CD1-CB 3.91Å
36Q98Very high97.5Very high107 Ų10747 Ų4750%0.529%0.288SS..THydrogen-bonded Turntrans-66.3132.2179-168.461.62300110.9A32 S33 K38 G60A32-Q36 PolarHBondContact O-N 2.81Å; S33-Q36 VanDerWaalsContact O-CB 3.31Å; S33-Q36 WeakPolarHBondContact O-CB 3.48Å; S33-Q36 PolarHBondContact O-N 3.48Å; Q36-K38 PolarHBondContact O-N 3.42Å; Q36-G60 PolarHBondContact NE2-O 3.19Å; Q36-G60 PolarHBondContact OE1-O 3.08Å; Q36-G60 VanDerWaalsContact OE1-O 3.08Å
37G98Very high97.2Very high72 Ų7243.9 Ų43.974%0.74228%0.28SS*.THydrogen-bonded Turntrans72.1-0.7-177.600000114.8L35L35-G37 PolarHBondContact O-N 3.02Å
38K98.6Very high97Very high48 Ų4843.6 Ų43.621%0.20928%0.279CS..SBendtrans-88.5147.9170.8-66.1-170.1180178.10110.1Y34 L35 Q36 V40 D100 E186Y34-K38 WeakPolarHBondContact O-CD 3.33Å; Y34-K38 VanDerWaalsContact O-CE 3.23Å; Y34-K38 WeakPolarHBondContact O-CE 3.46Å; Y34-K38 PolarHBondContact O-NZ 3.04Å; L35-K38 HydrophobicContact CD2-CD 4.26Å; L35-K38 WeakPolarHBondContact O-CB 3.28Å; L35-K38 PolarHBondContact O-N 3.19Å; Q36-K38 PolarHBondContact O-N 3.42Å; K38-V40 PolarHBondContact O-N 3.13Å; K38-D100 WeakPolarHBondContact CA-OD2 3.15Å; K38-D100 HydrophobicContact CB-CB 3.78Å; K38-D100 HydrophobicContact CD-CB 4.13Å; K38-D100 HydrophobicContact CG-CB 4.22Å; K38-E186 IonicContact NZ-OE2 3.9Å
39K98.8Very high96.9Very high89 Ų8943 Ų4339%0.38728%0.276SS..EExtended strand (participates in β ladder)trans-83111.5176.9-70.2178177.9175.80110.1Q98 D100 L101K39-Q98 HydrophobicContact CD-CB 3.85Å; K39-D100 PolarHBondContact N-OD2 3.4Å; K39-D100 PolarHBondContact O-N 3.27Å; K39-L101 PolarHBondContact O-N 3.2Å
40V98.9Very high97Very high0 Ų040 Ų400%025%0.248CC..EExtended strand (participates in β ladder)trans-102.3118.8176.4-178.10000109.2L35 K38 M56 L61 D62 I63 S64 L101 I103L35-V40 HydrophobicContact CD2-CG2 4.43Å; K38-V40 PolarHBondContact O-N 3.13Å; V40-M56 HydrophobicContact CG1-CE 3.85Å; V40-L61 HydrophobicContact CG2-CD2 4.42Å; V40-D62 WeakPolarHBondContact CB-O 3.44Å; V40-D62 PolarHBondContact N-O 3.25Å; V40-D62 VanDerWaalsContact O-O 3.13Å; V40-I63 HydrophobicContact CB-CD1 3.78Å; V40-I63 HydrophobicContact CG1-CD1 3.71Å; V40-I63 WeakPolarHBondContact O-CA 3.39Å; V40-S64 PolarHBondContact O-N 2.82Å; V40-S64 VanDerWaalsContact O-N 3.08Å; V40-L101 WeakPolarHBondContact CA-O 3.48Å; V40-L101 HydrophobicContact CG1-CD2 4.2Å; V40-L101 HydrophobicContact CG1-CG 4.41Å; V40-L101 HydrophobicContact CG2-CB 4.36Å; V40-L101 HydrophobicContact CG2-CD2 4.49Å; V40-I103 HydrophobicContact CG1-CD1 3.57Å; V40-I103 HydrophobicContact CG1-CG1 4.07Å
41V98.9Very high97Very high3 Ų335.2 Ų35.22%0.01822%0.222CC..EExtended strand (participates in β ladder)trans-116114.1-176.1-175.30000109.7S64 A66 L95 I96 A99 L101 V102 I103V41-S64 WeakPolarHBondContact CA-O 3.35Å; V41-A66 HydrophobicContact CG1-CB 3.53Å; V41-L95 HydrophobicContact CG1-CB 3.98Å; V41-L95 HydrophobicContact CG1-CD1 4.47Å; V41-L95 HydrophobicContact CG2-CB 4.42Å; V41-I96 HydrophobicContact CB-CD1 4.47Å; V41-I96 HydrophobicContact CG1-CD1 3.88Å; V41-A99 HydrophobicContact CB-CB 3.96Å; V41-A99 HydrophobicContact CG2-CB 3.48Å; V41-A99 VanDerWaalsContact CG2-CB 3.48Å; V41-L101 PolarHBondContact N-O 3.35Å; V41-V102 CarbonylContact O-C 3.58Å; V41-V102 VanDerWaalsContact O-CA 3.32Å; V41-V102 WeakPolarHBondContact O-CA 3.24Å; V41-I103 PolarHBondContact O-N 3.39Å
42I98.9Very high97.1Very high0 Ų034.1 Ų34.10%021%0.211CC..EExtended strand (participates in β ladder)trans-88.4127.4176.5-56.8178.6000109G44 I63 S64 Y65 A66 I103 L105I42-G44 WeakPolarHBondContact CG2-O 3.46Å; I42-I63 HydrophobicContact CD1-CG2 3.84Å; I42-I63 HydrophobicContact CG1-CG2 4.31Å; I42-S64 PolarHBondContact N-O 3.07Å; I42-Y65 HydrophobicContact CB-CD1 3.9Å; I42-Y65 HydrophobicContact CB-CE1 3.91Å; I42-Y65 HydrophobicContact CD1-CE1 4.09Å; I42-Y65 HydrophobicContact CG2-CD1 4.08Å; I42-Y65 HydrophobicContact CG2-CE1 3.91Å; I42-Y65 CarbonylContact O-C 3.58Å; I42-Y65 WeakPolarHBondContact O-CA 3.42Å; I42-A66 PolarHBondContact O-N 2.91Å; I42-I103 CarbonylContact C-O 3.54Å; I42-I103 WeakPolarHBondContact CA-O 3.48Å; I42-I103 HydrophobicContact CG1-CB 4.33Å; I42-I103 HydrophobicContact CG1-CD1 4.35Å; I42-L105 HydrophobicContact CG2-CB 4.22Å; I42-L105 HydrophobicContact CG2-CD1 3.91Å; I42-L105 HydrophobicContact CG2-CG 4.28Å
43V98.5Very high97.1Very high1 Ų133.4 Ų33.41%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-92.7118.5173.9-1740000109A66 Y92 I96 V102 I103 L105 T106 V114 V118V43-A66 HydrophobicContact CG2-CB 4.41Å; V43-Y92 HydrophobicContact CG1-CE1 3.84Å; V43-I96 HydrophobicContact CG2-CD1 4.08Å; V43-V102 HydrophobicContact CG2-CG1 3.57Å; V43-I103 PolarHBondContact N-O 3.07Å; V43-L105 CarbonylContact O-C 3.49Å; V43-L105 PolarHBondContact O-N 3.45Å; V43-L105 VanDerWaalsContact O-N 3.17Å; V43-T106 HydrophobicContact CG1-CG2 4.07Å; V43-V114 HydrophobicContact CB-CG1 4.47Å; V43-V114 HydrophobicContact CG1-CG1 3.68Å; V43-V118 HydrophobicContact CG2-CG2 4.39Å
44G95.2Very high97.1Very high13 Ų1329.9 Ų29.913%0.13418%0.179CC..  trans84.8157-171.400000113.1I42 Y65 A66I42-G44 WeakPolarHBondContact CG2-O 3.46Å; G44-Y65 WeakPolarHBondContact O-CD1 3.41Å; G44-A66 PolarHBondContact N-O 2.83Å
45C96.5Very high97.1Very high5 Ų525.6 Ų25.63%0.03416%0.162CC..  trans-138.658.8178.6-170.20000109.5Y65 L67 S78C45-Y65 HydrophobicContact CB-CD1 3.69Å; C45-Y65 HydrophobicContact CB-CE1 3.88Å; C45-Y65 HydrophobicContact CB-CG 4.44Å; C45-L67 HydrophobicContact CB-CD2 4.45Å; C45-S78 WeakPolarHBondContact CB-O 3.48Å
46G91.4Very high97.1Very high33 Ų3325.5 Ų25.534%0.3416%0.162SC..SBendtrans-82.5-155.7173.700000112.4L50G46-L50 WeakPolarHBondContact O-CB 3.39Å; G46-L50 PolarHBondContact O-N 3.49Å
47A88Confident97.2Very high62 Ų6224.6 Ų24.651%0.51215%0.154SC..Hα-helixtrans-63.5-55.417900000112.2N51A47-N51 WeakPolarHBondContact O-CB 3.48Å; A47-N51 PolarHBondContact O-N 3.09Å; A47-N51 PolarHBondContact O-ND2 2.89Å
48Q93.7Very high97.2Very high49 Ų4925 Ų2523%0.22914%0.138CC..Hα-helixtrans-65.1-46.6175.2-70.5-65.5-12.600111.1L50 N51 Q52 L105 C156Q48-L50 PolarHBondContact O-N 3.37Å; Q48-N51 PolarHBondContact O-N 2.92Å; Q48-Q52 WeakPolarHBondContact O-CB 3.47Å; Q48-Q52 WeakPolarHBondContact O-CG 3.47Å; Q48-Q52 PolarHBondContact O-N 3.31Å; Q48-L105 HydrophobicContact CB-CD2 4.34Å; Q48-C156 PolarHBondContact NE2-O 3.17Å
49G97.1Very high97.2Very high0 Ų024.3 Ų24.30%014%0.14CC..Hα-helixtrans-48.7-56.5-179.900000113.9G53 Y65G49-G53 PolarHBondContact O-N 3.36Å; G49-Y65 PolarHBondContact O-OH 2.82Å; G49-Y65 VanDerWaalsContact O-OH 3.04Å
50L97.9Very high97.2Very high23 Ų2322 Ų2212%0.1214%0.141CC..Hα-helixtrans-64.4-49.6-179178.762.7000112.1G46 Q48 G53 L54 Y65 K81 F87G46-L50 WeakPolarHBondContact O-CB 3.39Å; G46-L50 PolarHBondContact O-N 3.49Å; Q48-L50 PolarHBondContact O-N 3.37Å; L50-G53 PolarHBondContact O-N 2.86Å; L50-L54 HydrophobicContact CD1-CD1 4.23Å; L50-L54 HydrophobicContact CD1-CG 4.31Å; L50-L54 HydrophobicContact CG-CD1 4.04Å; L50-L54 VanDerWaalsContact O-CG 3.32Å; L50-L54 WeakPolarHBondContact O-CG 3.21Å; L50-L54 PolarHBondContact O-N 3.09Å; L50-Y65 WeakPolarHBondContact CA-OH 3.3Å; L50-Y65 PolarHBondContact O-OH 2.84Å; L50-K81 HydrophobicContact CD1-CB 4.5Å; L50-K81 HydrophobicContact CD2-CB 4.13Å; L50-K81 HydrophobicContact CD2-CD 4.22Å; L50-K81 HydrophobicContact CD2-CG 4.34Å; L50-F87 HydrophobicContact CD1-CE2 4.31Å
51N97.8Very high97.1Very high18 Ų1822.3 Ų22.310%0.09614%0.143CC..Hα-helixtrans-74.4-38.3-168.6-72-62.3000112.7A47 Q48 L54 N55 G158 R162A47-N51 WeakPolarHBondContact O-CB 3.48Å; A47-N51 PolarHBondContact O-N 3.09Å; A47-N51 PolarHBondContact O-ND2 2.89Å; Q48-N51 PolarHBondContact O-N 2.92Å; N51-L54 PolarHBondContact O-N 3.25Å; N51-N55 PolarHBondContact O-N 3.13Å; N51-N55 PolarHBondContact O-OD1 3.36Å; N51-G158 WeakPolarHBondContact CB-O 3.21Å; N51-G158 VanDerWaalsContact ND2-C 3.32Å; N51-G158 PolarHBondContact ND2-O 3.41Å; N51-R162 HydrophobicContact CB-CB 3.93Å; N51-R162 WeakPolarHBondContact OD1-CB 3.33Å
52Q98.7Very high97.1Very high1 Ų126.1 Ų26.11%0.00516%0.163CC..Hα-helixtrans-64.1-44.5170.3-68.5-168.336.900110.7Q48 L54 N55 M56 L105 S131 W194 T198Q48-Q52 WeakPolarHBondContact O-CB 3.47Å; Q48-Q52 WeakPolarHBondContact O-CG 3.47Å; Q48-Q52 PolarHBondContact O-N 3.31Å; Q52-L54 VanDerWaalsContact C-N 3.3Å; Q52-L54 PolarHBondContact O-N 3.41Å; Q52-N55 PolarHBondContact O-N 3.09Å; Q52-N55 VanDerWaalsContact O-N 3.17Å; Q52-M56 WeakPolarHBondContact O-CB 3.43Å; Q52-M56 WeakPolarHBondContact O-CG 3.33Å; Q52-M56 PolarHBondContact O-N 2.87Å; Q52-L105 HydrophobicContact CB-CD1 4.39Å; Q52-S131 PolarHBondContact NE2-OG 3.25Å; Q52-W194 VanDerWaalsContact OE1-CZ2 3.27Å; Q52-T198 HydrophobicContact CB-CG2 4.07Å; Q52-T198 HydrophobicContact CG-CG2 4.08Å
53G98.6Very high97.1Very high0 Ų026.5 Ų26.50%017%0.165CC..Hα-helixtrans-61.8-35.4178.300000113.8G49 L50 R57 Y65G49-G53 PolarHBondContact O-N 3.36Å; L50-G53 PolarHBondContact O-N 2.86Å; G53-R57 WeakPolarHBondContact O-CB 3.47Å; G53-R57 PolarHBondContact O-N 2.95Å; G53-Y65 WeakPolarHBondContact CA-OH 3.29Å
54L98.7Very high97.1Very high12 Ų1226.8 Ų26.86%0.06317%0.167CC..Hα-helixtrans-61-50.3171.7-75.2168.5000111.7L50 N51 Q52 R57 D58 N85 F87 R162L50-L54 HydrophobicContact CD1-CD1 4.23Å; L50-L54 HydrophobicContact CD1-CG 4.31Å; L50-L54 HydrophobicContact CG-CD1 4.04Å; L50-L54 VanDerWaalsContact O-CG 3.32Å; L50-L54 WeakPolarHBondContact O-CG 3.21Å; L50-L54 PolarHBondContact O-N 3.09Å; N51-L54 PolarHBondContact O-N 3.25Å; Q52-L54 VanDerWaalsContact C-N 3.3Å; Q52-L54 PolarHBondContact O-N 3.41Å; L54-R57 PolarHBondContact O-N 2.91Å; L54-D58 WeakPolarHBondContact O-CB 3.48Å; L54-D58 VanDerWaalsContact O-CG 3.23Å; L54-D58 PolarHBondContact O-N 3.23Å; L54-N85 HydrophobicContact CD2-CB 4.29Å; L54-F87 HydrophobicContact CD2-CE2 3.71Å; L54-F87 HydrophobicContact CD2-CZ 3.84Å; L54-F87 HydrophobicContact CG-CE2 4.13Å; L54-F87 HydrophobicContact CG-CZ 4.15Å; L54-R162 HydrophobicContact CD1-CG 4.45Å
55N98.7Very high97.3Very high0 Ų026.2 Ų26.20%016%0.161CC..Hα-helixtrans-64.4-42.8-179.6-67.20.7000111.8N51 Q52 R57 D58 S59 V161 R162 Y165 A197 T198N51-N55 PolarHBondContact O-N 3.13Å; N51-N55 PolarHBondContact O-OD1 3.36Å; Q52-N55 PolarHBondContact O-N 3.09Å; Q52-N55 VanDerWaalsContact O-N 3.17Å; N55-R57 PolarHBondContact O-N 3.27Å; N55-D58 CarbonylContact O-C 3.51Å; N55-D58 PolarHBondContact O-N 3.38Å; N55-S59 WeakPolarHBondContact O-CB 3.4Å; N55-S59 PolarHBondContact O-N 3.43Å; N55-S59 PolarHBondContact O-OG 2.96Å; N55-S59 VanDerWaalsContact O-OG 3.06Å; N55-V161 PolarHBondContact ND2-O 2.92Å; N55-R162 WeakPolarHBondContact OD1-CD 3.47Å; N55-R162 PolarHBondContact OD1-NH1 3.35Å; N55-Y165 HydrophobicContact CB-CD1 4.09Å; N55-Y165 HydrophobicContact CB-CD2 3.7Å; N55-Y165 HydrophobicContact CB-CE1 4.25Å; N55-Y165 HydrophobicContact CB-CE2 3.86Å; N55-Y165 HydrophobicContact CB-CG 3.83Å; N55-Y165 VanDerWaalsContact CG-CB 3.45Å; N55-Y165 WeakPolarHBondContact ND2-CB 3.5Å; N55-Y165 PolarHBondContact O-OH 2.67Å; N55-Y165 WeakPolarHBondContact OD1-CB 3.5Å; N55-Y165 WeakPolarHBondContact OD1-CD1 3.41Å; N55-A197 CarbonylContact C-O 3.59Å; N55-A197 VanDerWaalsContact O-O 3.1Å; N55-T198 PolarHBondContact ND2-O 2.9Å; N55-T198 VanDerWaalsContact ND2-O 3.12Å
56M98.8Very high97.4Very high0 Ų026 Ų260%016%0.159CC..Hα-helixtrans-64.8-41.3-179.9-67.1175.177.400111.9V40 Q52 S59 G60 L61 I63 I103 W194 A197 T198V40-M56 HydrophobicContact CG1-CE 3.85Å; Q52-M56 WeakPolarHBondContact O-CB 3.43Å; Q52-M56 WeakPolarHBondContact O-CG 3.33Å; Q52-M56 PolarHBondContact O-N 2.87Å; M56-S59 CarbonylContact O-C 3.53Å; M56-S59 WeakPolarHBondContact O-CA 3.5Å; M56-S59 WeakPolarHBondContact O-CB 3.41Å; M56-S59 PolarHBondContact O-N 3.15Å; M56-S59 VanDerWaalsContact O-N 3.14Å; M56-G60 PolarHBondContact O-N 3.31Å; M56-L61 HydrophobicContact CB-CB 4.48Å; M56-L61 HydrophobicContact CB-CD2 4.27Å; M56-L61 HydrophobicContact CE-CD2 3.61Å; M56-L61 WeakPolarHBondContact O-CB 3.37Å; M56-L61 PolarHBondContact O-N 3.49Å; M56-L61 VanDerWaalsContact O-N 3.13Å; M56-I63 HydrophobicContact CB-CD1 3.55Å; M56-I63 HydrophobicContact CB-CG1 3.89Å; M56-I63 HydrophobicContact CE-CD1 3.92Å; M56-I63 HydrophobicContact CG-CD1 4.42Å; M56-I63 HydrophobicContact SD-CD1 4.06Å; M56-I103 HydrophobicContact CE-CD1 3.83Å; M56-I103 HydrophobicContact SD-CD1 4.05Å; M56-W194 VanDerWaalsContact CE-CD1 3.43Å; M56-W194 HydrophobicContact CE-CG 4.07Å; M56-A197 WeakPolarHBondContact CA-O 3.29Å; M56-A197 HydrophobicContact CB-CB 4.24Å; M56-A197 HydrophobicContact CG-CB 3.86Å; M56-A197 PolarHBondContact N-O 2.84Å; M56-T198 HydrophobicContact CG-CG2 3.88Å; M56-T198 HydrophobicContact SD-CG2 4.28Å
57R98.7Very high97.7Very high88 Ų8824.6 Ų24.633%0.33214%0.144SC..Hα-helixtrans-63.9-43.9174.1-175.5-17466.4-172.41.2111.6G53 L54 N55 S59 G60 I63 N85 F87G53-R57 WeakPolarHBondContact O-CB 3.47Å; G53-R57 PolarHBondContact O-N 2.95Å; L54-R57 PolarHBondContact O-N 2.91Å; N55-R57 PolarHBondContact O-N 3.27Å; R57-S59 PolarHBondContact O-N 2.93Å; R57-G60 PolarHBondContact O-N 2.67Å; R57-I63 HydrophobicContact CB-CB 4.49Å; R57-I63 HydrophobicContact CB-CG1 4.15Å; R57-N85 PolarHBondContact NH1-O 3.05Å; R57-F87 HydrophobicContact CB-CE1 3.95Å; R57-F87 HydrophobicContact CB-CZ 4.45Å; R57-F87 HydrophobicContact CG-CE1 4.36Å
58D98.5Very high98Very high79 Ų7927.5 Ų27.542%0.42214%0.142SC..Hα-helixtrans-64.4-22.1175.9-67.6-6.2000111.7L54 N55 G60 R162 Y165L54-D58 WeakPolarHBondContact O-CB 3.48Å; L54-D58 VanDerWaalsContact O-CG 3.23Å; L54-D58 PolarHBondContact O-N 3.23Å; N55-D58 CarbonylContact O-C 3.51Å; N55-D58 PolarHBondContact O-N 3.38Å; D58-G60 VanDerWaalsContact C-N 3.3Å; D58-R162 IonicContact OD2-CZ 3.73Å; D58-R162 VanDerWaalsContact OD2-CZ 3.22Å; D58-R162 IonicContact OD2-NH1 3.96Å; D58-R162 PolarHBondContact OD2-NH1 2.96Å; D58-R162 IonicContact OD2-NH2 3.34Å; D58-R162 PolarHBondContact OD2-NH2 2.79Å; D58-Y165 HydrophobicContact CB-CE1 3.73Å
59S98.4Very high98.1Very high35 Ų3532.6 Ų32.625%0.24516%0.163CC..THydrogen-bonded Turntrans-84.34.7171-63.30000114.2N55 M56 R57 Y165 A197N55-S59 WeakPolarHBondContact O-CB 3.4Å; N55-S59 PolarHBondContact O-N 3.43Å; N55-S59 PolarHBondContact O-OG 2.96Å; N55-S59 VanDerWaalsContact O-OG 3.06Å; M56-S59 CarbonylContact O-C 3.53Å; M56-S59 WeakPolarHBondContact O-CA 3.5Å; M56-S59 WeakPolarHBondContact O-CB 3.41Å; M56-S59 PolarHBondContact O-N 3.15Å; M56-S59 VanDerWaalsContact O-N 3.14Å; R57-S59 PolarHBondContact O-N 2.93Å; S59-Y165 PolarHBondContact N-OH 3.14Å; S59-Y165 PolarHBondContact OG-OH 3.2Å; S59-A197 WeakPolarHBondContact OG-CA 3.47Å; S59-A197 PolarHBondContact OG-O 3.13Å
60G98.2Very high98.1Very high39 Ų3936 Ų3640%0.40218%0.179SC..THydrogen-bonded Turntrans94.45.4173.900000116.1Q36 M56 R57 D58Q36-G60 PolarHBondContact NE2-O 3.19Å; Q36-G60 PolarHBondContact OE1-O 3.08Å; Q36-G60 VanDerWaalsContact OE1-O 3.08Å; M56-G60 PolarHBondContact O-N 3.31Å; R57-G60 PolarHBondContact O-N 2.67Å; D58-G60 VanDerWaalsContact C-N 3.3Å
61L98.7Very high97.9Very high7 Ų735.1 Ų35.14%0.03718%0.175CC..  trans-83.1148.9-178.8-8155.1000112.1A32 L35 V40 M56 I63 A197A32-L61 HydrophobicContact CB-CD1 3.66Å; L35-L61 HydrophobicContact CB-CD2 3.78Å; L35-L61 HydrophobicContact CB-CG 4.06Å; L35-L61 HydrophobicContact CD1-CD2 3.97Å; V40-L61 HydrophobicContact CG2-CD2 4.42Å; M56-L61 HydrophobicContact CB-CB 4.48Å; M56-L61 HydrophobicContact CB-CD2 4.27Å; M56-L61 HydrophobicContact CE-CD2 3.61Å; M56-L61 WeakPolarHBondContact O-CB 3.37Å; M56-L61 PolarHBondContact O-N 3.49Å; M56-L61 VanDerWaalsContact O-N 3.13Å; L61-I63 HydrophobicContact CB-CD1 4.15Å; L61-I63 HydrophobicContact CB-CG1 4.31Å; L61-I63 PolarHBondContact O-N 2.88Å; L61-A197 HydrophobicContact CD1-CB 4.25Å; L61-A197 HydrophobicContact CD2-CB 3.71Å
62D98.7Very high97.8Very high83 Ų8336.2 Ų36.244%0.44418%0.181SC..EExtended strand (participates in β ladder)trans-80.699.4172.8179.920.2000110.1V40V40-D62 WeakPolarHBondContact CB-O 3.44Å; V40-D62 PolarHBondContact N-O 3.25Å; V40-D62 VanDerWaalsContact O-O 3.13Å
63I98.8Very high97.8Very high8 Ų840 Ų404%0.04121%0.212CC..EExtended strand (participates in β ladder)trans-106127.6-176.6-55.5-68.6000110.7V40 I42 M56 R57 L61 Y65 F87V40-I63 HydrophobicContact CB-CD1 3.78Å; V40-I63 HydrophobicContact CG1-CD1 3.71Å; V40-I63 WeakPolarHBondContact O-CA 3.39Å; I42-I63 HydrophobicContact CD1-CG2 3.84Å; I42-I63 HydrophobicContact CG1-CG2 4.31Å; M56-I63 HydrophobicContact CB-CD1 3.55Å; M56-I63 HydrophobicContact CB-CG1 3.89Å; M56-I63 HydrophobicContact CE-CD1 3.92Å; M56-I63 HydrophobicContact CG-CD1 4.42Å; M56-I63 HydrophobicContact SD-CD1 4.06Å; R57-I63 HydrophobicContact CB-CB 4.49Å; R57-I63 HydrophobicContact CB-CG1 4.15Å; L61-I63 HydrophobicContact CB-CD1 4.15Å; L61-I63 HydrophobicContact CB-CG1 4.31Å; L61-I63 PolarHBondContact O-N 2.88Å; I63-Y65 HydrophobicContact CG2-CE2 4.15Å; I63-F87 HydrophobicContact CB-CD1 4.21Å; I63-F87 HydrophobicContact CB-CE1 3.95Å; I63-F87 HydrophobicContact CG2-CD1 4.01Å; I63-F87 HydrophobicContact CG2-CE1 3.77Å
64S98.8Very high97.7Very high8 Ų845.6 Ų45.66%0.05624%0.238CC..EExtended strand (participates in β ladder)trans-134.1159.5169.362.30000111.8V40 V41 I42 K88V40-S64 PolarHBondContact O-N 2.82Å; V40-S64 VanDerWaalsContact O-N 3.08Å; V41-S64 WeakPolarHBondContact CA-O 3.35Å; I42-S64 PolarHBondContact N-O 3.07Å; S64-K88 CarbonylContact C-O 3.58Å; S64-K88 WeakPolarHBondContact CA-O 3.17Å; S64-K88 WeakPolarHBondContact CB-O 3.37Å
65Y98.8Very high97.6Very high0 Ų049.9 Ų49.90%026%0.256CS..EExtended strand (participates in β ladder)trans-112.8119-178.3-69.4-91.3000111.7I42 G44 C45 G49 L50 G53 I63 A82 F87 K88 V89 G90 L95I42-Y65 HydrophobicContact CB-CD1 3.9Å; I42-Y65 HydrophobicContact CB-CE1 3.91Å; I42-Y65 HydrophobicContact CD1-CE1 4.09Å; I42-Y65 HydrophobicContact CG2-CD1 4.08Å; I42-Y65 HydrophobicContact CG2-CE1 3.91Å; I42-Y65 CarbonylContact O-C 3.58Å; I42-Y65 WeakPolarHBondContact O-CA 3.42Å; G44-Y65 WeakPolarHBondContact O-CD1 3.41Å; C45-Y65 HydrophobicContact CB-CD1 3.69Å; C45-Y65 HydrophobicContact CB-CE1 3.88Å; C45-Y65 HydrophobicContact CB-CG 4.44Å; G49-Y65 PolarHBondContact O-OH 2.82Å; G49-Y65 VanDerWaalsContact O-OH 3.04Å; L50-Y65 WeakPolarHBondContact CA-OH 3.3Å; L50-Y65 PolarHBondContact O-OH 2.84Å; G53-Y65 WeakPolarHBondContact CA-OH 3.29Å; I63-Y65 HydrophobicContact CG2-CE2 4.15Å; Y65-A82 HydrophobicContact CD2-CB 3.84Å; Y65-A82 HydrophobicContact CE2-CB 4.37Å; Y65-A82 HydrophobicContact CG-CB 4.01Å; Y65-F87 HydrophobicContact CD2-CB 3.64Å; Y65-F87 HydrophobicContact CD2-CD1 4.22Å; Y65-F87 HydrophobicContact CD2-CD2 4.29Å; Y65-F87 AromaticContact CD2-CG 3.85Å; Y65-F87 HydrophobicContact CD2-CG 3.85Å; Y65-F87 HydrophobicContact CE2-CB 3.74Å; Y65-F87 AromaticContact CE2-CD1 3.61Å; Y65-F87 HydrophobicContact CE2-CD1 3.61Å; Y65-F87 AromaticContact CE2-CD2 3.57Å; Y65-F87 HydrophobicContact CE2-CD2 3.57Å; Y65-F87 AromaticContact CE2-CE1 3.96Å; Y65-F87 HydrophobicContact CE2-CE1 3.96Å; Y65-F87 AromaticContact CE2-CE2 3.93Å; Y65-F87 HydrophobicContact CE2-CE2 3.93Å; Y65-F87 AromaticContact CE2-CG 3.38Å; Y65-F87 HydrophobicContact CE2-CG 3.38Å; Y65-F87 HydrophobicContact CE2-CZ 4.11Å; Y65-K88 PolarHBondContact N-O 3.37Å; Y65-V89 WeakPolarHBondContact O-CA 3.39Å; Y65-G90 PolarHBondContact O-N 2.96Å; Y65-G90 VanDerWaalsContact O-N 3.13Å; Y65-L95 VanDerWaalsContact O-CD1 3.27Å; Y65-L95 WeakPolarHBondContact O-CD1 3.5Å
66A98.7Very high97.4Very high0 Ų053.9 Ų53.90%027%0.271CS..EExtended strand (participates in β ladder)trans-90.8119.5171.300000109.3V41 I42 V43 G44 G90 Y92 L95 I96V41-A66 HydrophobicContact CG1-CB 3.53Å; I42-A66 PolarHBondContact O-N 2.91Å; V43-A66 HydrophobicContact CG2-CB 4.41Å; G44-A66 PolarHBondContact N-O 2.83Å; A66-G90 WeakPolarHBondContact CA-O 3.36Å; A66-Y92 HydrophobicContact CB-CD1 3.87Å; A66-Y92 HydrophobicContact CB-CE1 4.24Å; A66-L95 HydrophobicContact CB-CB 4.36Å; A66-L95 HydrophobicContact CB-CD1 4.29Å; A66-I96 HydrophobicContact CB-CD1 3.96Å; A66-I96 HydrophobicContact CB-CG1 4.41Å
67L97.5Very high97.3Very high4 Ų456.9 Ų56.92%0.02130%0.297CS..  trans-123.5155.9-179.3-60.4-178.8000110.6C45 A71 I72 W79 V89 G90C45-L67 HydrophobicContact CB-CD2 4.45Å; L67-A71 HydrophobicContact CB-CB 4.47Å; L67-I72 HydrophobicContact CB-CD1 4.28Å; L67-I72 HydrophobicContact CB-CG1 3.94Å; L67-W79 HydrophobicContact CD1-CB 3.8Å; L67-V89 HydrophobicContact CD1-CG1 3.78Å; L67-V89 HydrophobicContact CG-CG1 4.16Å; L67-G90 PolarHBondContact N-O 2.96Å
68R94.9Very high97.1Very high124 Ų12454 Ų5447%0.46829%0.29SS..  trans-60.7144.7171.4-61.2178.9-76.4167.8-15.5110.2E70 A71 I72 Y92R68-E70 VanDerWaalsContact C-N 3.28Å; R68-E70 VanDerWaalsContact CB-CD 3.49Å; R68-E70 WeakPolarHBondContact CB-OE1 3.18Å; R68-E70 WeakPolarHBondContact CB-OE2 3.41Å; R68-E70 VanDerWaalsContact CD-OE1 3.23Å; R68-E70 WeakPolarHBondContact CD-OE1 3.5Å; R68-E70 IonicContact CZ-OE1 3.84Å; R68-E70 IonicContact NE-OE1 2.76Å; R68-E70 IonicContact NH1-OE1 3.99Å; R68-E70 PolarHBondContact NH1-OE1 3.42Å; R68-E70 PolarHBondContact O-N 2.98Å; R68-A71 HydrophobicContact CB-CB 4.35Å; R68-A71 WeakPolarHBondContact O-CA 3.45Å; R68-A71 WeakPolarHBondContact O-CB 3.4Å; R68-A71 PolarHBondContact O-N 2.83Å; R68-I72 PolarHBondContact O-N 2.85Å; R68-Y92 HydrophobicContact CG-CE2 4.11Å; R68-Y92 WeakPolarHBondContact CG-OH 3.01Å
69K95.9Very high97Very high156 Ų15653.1 Ų53.168%0.67828%0.281SS*.Hα-helixtrans-57.6-41.5-173.3-170.8172.8-176.7173.30112.2A71 I72 A73 T91K69-A71 VanDerWaalsContact C-N 3.34Å; K69-I72 PolarHBondContact O-N 3.24Å; K69-A73 PolarHBondContact O-N 3.15Å; K69-T91 HydrophobicContact CB-CG2 4.49Å; K69-T91 HydrophobicContact CG-CG2 4.44Å
70E95.6Very high97Very high71 Ų7156.9 Ų56.933%0.33229%0.289SS..Hα-helixtrans-65.5-34.8175.169-78.1-176.700112.5R68 I72 A73 E74R68-E70 VanDerWaalsContact C-N 3.28Å; R68-E70 VanDerWaalsContact CB-CD 3.49Å; R68-E70 WeakPolarHBondContact CB-OE1 3.18Å; R68-E70 WeakPolarHBondContact CB-OE2 3.41Å; R68-E70 VanDerWaalsContact CD-OE1 3.23Å; R68-E70 WeakPolarHBondContact CD-OE1 3.5Å; R68-E70 IonicContact CZ-OE1 3.84Å; R68-E70 IonicContact NE-OE1 2.76Å; R68-E70 IonicContact NH1-OE1 3.99Å; R68-E70 PolarHBondContact NH1-OE1 3.42Å; R68-E70 PolarHBondContact O-N 2.98Å; E70-I72 VanDerWaalsContact C-N 3.26Å; E70-I72 PolarHBondContact O-N 2.91Å; E70-A73 PolarHBondContact O-N 3.09Å; E70-E74 VanDerWaalsContact O-CB 3.25Å; E70-E74 WeakPolarHBondContact O-CB 3.38Å; E70-E74 VanDerWaalsContact O-CG 3.29Å; E70-E74 WeakPolarHBondContact O-CG 3.26Å; E70-E74 PolarHBondContact O-N 2.9Å
71A94.6Very high97Very high4 Ų459.2 Ų59.23%0.03329%0.289CS..Hα-helixtrans-65.7-32.5177.500000112.3L67 R68 K69 K75 R76L67-A71 HydrophobicContact CB-CB 4.47Å; R68-A71 HydrophobicContact CB-CB 4.35Å; R68-A71 WeakPolarHBondContact O-CA 3.45Å; R68-A71 WeakPolarHBondContact O-CB 3.4Å; R68-A71 PolarHBondContact O-N 2.83Å; K69-A71 VanDerWaalsContact C-N 3.34Å; A71-K75 PolarHBondContact O-N 3.29Å; A71-R76 HydrophobicContact CB-CB 4.34Å; A71-R76 HydrophobicContact CB-CG 4.31Å; A71-R76 PolarHBondContact O-N 3.03Å
72I96.5Very high96.9Very high42 Ų4258.9 Ų58.922%0.21529%0.287CS..Hα-helixtrans-73.1-51.6173.5-59.6176000110.1L67 R68 K69 E70 E74 K75 V89 T91L67-I72 HydrophobicContact CB-CD1 4.28Å; L67-I72 HydrophobicContact CB-CG1 3.94Å; R68-I72 PolarHBondContact O-N 2.85Å; K69-I72 PolarHBondContact O-N 3.24Å; E70-I72 VanDerWaalsContact C-N 3.26Å; E70-I72 PolarHBondContact O-N 2.91Å; I72-E74 VanDerWaalsContact C-N 3.34Å; I72-E74 PolarHBondContact O-N 2.88Å; I72-K75 PolarHBondContact O-N 2.86Å; I72-V89 HydrophobicContact CD1-CG1 4.49Å; I72-T91 HydrophobicContact CD1-CG2 4.09Å
73A96.8Very high96.9Very high81 Ų8157.2 Ų57.267%0.66928%0.28SS*.Hα-helixtrans-60.6-41.2-177.100000112.7K69 E70 K75K69-A73 PolarHBondContact O-N 3.15Å; E70-A73 PolarHBondContact O-N 3.09Å; A73-K75 PolarHBondContact O-N 3.02Å
74E97.4Very high96.8Very high117 Ų11763.8 Ų63.855%0.54731%0.31SS..THydrogen-bonded Turntrans-81.5-1.8178.7-64.9169.2-165.100113E70 I72 R76E70-E74 VanDerWaalsContact O-CB 3.25Å; E70-E74 WeakPolarHBondContact O-CB 3.38Å; E70-E74 VanDerWaalsContact O-CG 3.29Å; E70-E74 WeakPolarHBondContact O-CG 3.26Å; E70-E74 PolarHBondContact O-N 2.9Å; I72-E74 VanDerWaalsContact C-N 3.34Å; I72-E74 PolarHBondContact O-N 2.88Å; E74-R76 VanDerWaalsContact C-N 3.26Å; E74-R76 HydrophobicContact CB-CG 4.1Å; E74-R76 PolarHBondContact O-N 3.22Å; E74-R76 IonicContact OE1-NH2 3.96Å; E74-R76 PolarHBondContact OE1-NH2 3Å; E74-R76 IonicContact OE2-CZ 3.59Å; E74-R76 IonicContact OE2-NE 3.47Å; E74-R76 PolarHBondContact OE2-NE 3.23Å; E74-R76 IonicContact OE2-NH2 3.83Å; E74-R76 PolarHBondContact OE2-NH2 3.4Å
75K96.3Very high96.8Very high101 Ų10166.4 Ų66.444%0.43932%0.324SS..THydrogen-bonded Turntrans5048.7-175.9-53.3178.778.6171.90111A71 I72 A73 W79 R80A71-K75 PolarHBondContact O-N 3.29Å; I72-K75 PolarHBondContact O-N 2.86Å; A73-K75 PolarHBondContact O-N 3.02Å; K75-W79 HydrophobicContact CB-CE3 3.74Å; K75-W79 HydrophobicContact CB-CZ3 3.97Å; K75-W79 HydrophobicContact CD-CH2 4.49Å; K75-W79 HydrophobicContact CD-CZ3 4.17Å; K75-W79 VanDerWaalsContact CE-CH2 3.44Å; K75-W79 HydrophobicContact CG-CE3 4.01Å; K75-W79 HydrophobicContact CG-CH2 4.39Å; K75-W79 HydrophobicContact CG-CZ3 3.91Å; K75-R80 PolarHBondContact O-NE 3Å
76R95.7Very high96.7Very high84 Ų8469.4 Ų69.432%0.31736%0.355SS..  trans-59.5161.7178.1-68-171.2-173.1168.23.1110.5A71 E74 S78 W79 R80A71-R76 HydrophobicContact CB-CB 4.34Å; A71-R76 HydrophobicContact CB-CG 4.31Å; A71-R76 PolarHBondContact O-N 3.03Å; E74-R76 VanDerWaalsContact C-N 3.26Å; E74-R76 HydrophobicContact CB-CG 4.1Å; E74-R76 PolarHBondContact O-N 3.22Å; E74-R76 IonicContact OE1-NH2 3.96Å; E74-R76 PolarHBondContact OE1-NH2 3Å; E74-R76 IonicContact OE2-CZ 3.59Å; E74-R76 IonicContact OE2-NE 3.47Å; E74-R76 PolarHBondContact OE2-NE 3.23Å; E74-R76 IonicContact OE2-NH2 3.83Å; E74-R76 PolarHBondContact OE2-NH2 3.4Å; R76-S78 PolarHBondContact O-N 2.98Å; R76-S78 VanDerWaalsContact O-N 3.1Å; R76-W79 PolarHBondContact O-N 3.24Å; R76-R80 PolarHBondContact O-N 3.45Å; R76-R80 VanDerWaalsContact O-N 3.08Å
77A95.1Very high96.7Very high64 Ų6470.1 Ų70.153%0.52936%0.358SS..Hα-helixtrans-52.5-36.6-177.200000113.3R80 K81A77-R80 PolarHBondContact O-N 2.91Å; A77-K81 WeakPolarHBondContact O-CB 3.35Å; A77-K81 VanDerWaalsContact O-CG 3.24Å; A77-K81 WeakPolarHBondContact O-CG 3.38Å; A77-K81 PolarHBondContact O-N 3.31Å
78S94.8Very high96.8Very high28 Ų2876 Ų7620%0.19638%0.383CS..Hα-helixtrans-60.7-45.2175.449.50000113C45 R76 A82C45-S78 WeakPolarHBondContact CB-O 3.48Å; R76-S78 PolarHBondContact O-N 2.98Å; R76-S78 VanDerWaalsContact O-N 3.1Å; S78-A82 WeakPolarHBondContact O-CB 3.22Å; S78-A82 PolarHBondContact O-N 2.95Å; S78-A82 VanDerWaalsContact O-N 3.14Å
79W97.7Very high97Very high59 Ų5971.7 Ų71.722%0.22337%0.371CS..Hα-helixtrans-65.5-43.7176.7177.887.2000111.5L67 K75 R76 A82 T83L67-W79 HydrophobicContact CD1-CB 3.8Å; K75-W79 HydrophobicContact CB-CE3 3.74Å; K75-W79 HydrophobicContact CB-CZ3 3.97Å; K75-W79 HydrophobicContact CD-CH2 4.49Å; K75-W79 HydrophobicContact CD-CZ3 4.17Å; K75-W79 VanDerWaalsContact CE-CH2 3.44Å; K75-W79 HydrophobicContact CG-CE3 4.01Å; K75-W79 HydrophobicContact CG-CH2 4.39Å; K75-W79 HydrophobicContact CG-CZ3 3.91Å; R76-W79 PolarHBondContact O-N 3.24Å; W79-A82 PolarHBondContact O-N 3.47Å; W79-T83 HydrophobicContact CD2-CG2 4.1Å; W79-T83 HydrophobicContact CG-CG2 4.46Å; W79-T83 HydrophobicContact CH2-CG2 4.42Å; W79-T83 HydrophobicContact CZ2-CG2 3.85Å; W79-T83 WeakPolarHBondContact O-CB 3.41Å; W79-T83 WeakPolarHBondContact O-CG2 3.47Å; W79-T83 PolarHBondContact O-N 2.99Å; W79-T83 PolarHBondContact O-OG1 2.98Å
80R97.9Very high97.1Very high114 Ų11464.4 Ų64.443%0.4334%0.34SS..Hα-helixtrans-60.2-53177.4-66.8-178.3-172.5-110.22.7111.4K75 R76 A77 A82 T83 E84K75-R80 PolarHBondContact O-NE 3Å; R76-R80 PolarHBondContact O-N 3.45Å; R76-R80 VanDerWaalsContact O-N 3.08Å; A77-R80 PolarHBondContact O-N 2.91Å; R80-A82 VanDerWaalsContact C-N 3.32Å; R80-A82 PolarHBondContact O-N 3.05Å; R80-T83 PolarHBondContact O-N 2.96Å; R80-T83 PolarHBondContact O-OG1 3.47Å; R80-E84 VanDerWaalsContact O-CB 3.24Å; R80-E84 WeakPolarHBondContact O-CB 3.2Å; R80-E84 WeakPolarHBondContact O-CG 3.38Å; R80-E84 PolarHBondContact O-N 3.09Å
81K97Very high97.2Very high89 Ų8961.8 Ų61.839%0.38733%0.329SS..Hα-helixtrans-55-45.8178.6-74.7174.1-178.1-174.70112.4L50 A77 N85L50-K81 HydrophobicContact CD1-CB 4.5Å; L50-K81 HydrophobicContact CD2-CB 4.13Å; L50-K81 HydrophobicContact CD2-CD 4.22Å; L50-K81 HydrophobicContact CD2-CG 4.34Å; A77-K81 WeakPolarHBondContact O-CB 3.35Å; A77-K81 VanDerWaalsContact O-CG 3.24Å; A77-K81 WeakPolarHBondContact O-CG 3.38Å; A77-K81 PolarHBondContact O-N 3.31Å; K81-N85 WeakPolarHBondContact O-CB 3.4Å; K81-N85 PolarHBondContact O-N 2.95Å; K81-N85 PolarHBondContact O-ND2 3.3Å
82A97.6Very high97.4Very high0 Ų062.6 Ų62.60%033%0.331CS..Hα-helixtrans-65.5-48.7179.100000112.1Y65 S78 W79 R80 N85 G86 F87 V89Y65-A82 HydrophobicContact CD2-CB 3.84Å; Y65-A82 HydrophobicContact CE2-CB 4.37Å; Y65-A82 HydrophobicContact CG-CB 4.01Å; S78-A82 WeakPolarHBondContact O-CB 3.22Å; S78-A82 PolarHBondContact O-N 2.95Å; S78-A82 VanDerWaalsContact O-N 3.14Å; W79-A82 PolarHBondContact O-N 3.47Å; R80-A82 VanDerWaalsContact C-N 3.32Å; R80-A82 PolarHBondContact O-N 3.05Å; A82-N85 PolarHBondContact O-N 3.31Å; A82-G86 PolarHBondContact O-N 2.83Å; A82-F87 WeakPolarHBondContact O-CB 3.34Å; A82-F87 WeakPolarHBondContact O-CD2 3.19Å; A82-F87 PolarHBondContact O-N 3.45Å; A82-V89 HydrophobicContact CB-CG2 3.54Å
83T97.6Very high97.5Very high47 Ų4766 Ų6629%0.28835%0.346SS..Hα-helixtrans-70.1-39.4-177.351.70000113.3W79 R80 N85 G86 V89W79-T83 HydrophobicContact CD2-CG2 4.1Å; W79-T83 HydrophobicContact CG-CG2 4.46Å; W79-T83 HydrophobicContact CH2-CG2 4.42Å; W79-T83 HydrophobicContact CZ2-CG2 3.85Å; W79-T83 WeakPolarHBondContact O-CB 3.41Å; W79-T83 WeakPolarHBondContact O-CG2 3.47Å; W79-T83 PolarHBondContact O-N 2.99Å; W79-T83 PolarHBondContact O-OG1 2.98Å; R80-T83 PolarHBondContact O-N 2.96Å; R80-T83 PolarHBondContact O-OG1 3.47Å; T83-N85 PolarHBondContact O-N 2.87Å; T83-G86 WeakPolarHBondContact O-CA 3.43Å; T83-G86 PolarHBondContact O-N 3.41Å; T83-V89 HydrophobicContact CG2-CB 4.33Å; T83-V89 HydrophobicContact CG2-CG2 3.76Å
84E98.1Very high97.6Very high147 Ų14767.6 Ų67.669%0.68734%0.34SS*.Hα-helixtrans-64.3-29.3176.4-72.1167.5-173.700112.1R80 G86R80-E84 VanDerWaalsContact O-CB 3.24Å; R80-E84 WeakPolarHBondContact O-CB 3.2Å; R80-E84 WeakPolarHBondContact O-CG 3.38Å; R80-E84 PolarHBondContact O-N 3.09Å; E84-G86 VanDerWaalsContact C-N 3.26Å; E84-G86 PolarHBondContact O-N 3.48Å
85N98.1Very high97.6Very high63 Ų6362.3 Ų62.334%0.33732%0.315SS..THydrogen-bonded Turntrans-84.95.3172.1-77.2-84.8000113.3L54 R57 K81 A82 T83 F87L54-N85 HydrophobicContact CD2-CB 4.29Å; R57-N85 PolarHBondContact NH1-O 3.05Å; K81-N85 WeakPolarHBondContact O-CB 3.4Å; K81-N85 PolarHBondContact O-N 2.95Å; K81-N85 PolarHBondContact O-ND2 3.3Å; A82-N85 PolarHBondContact O-N 3.31Å; T83-N85 PolarHBondContact O-N 2.87Å; N85-F87 HydrophobicContact CB-CD2 3.66Å; N85-F87 HydrophobicContact CB-CE2 3.67Å
86G98Very high97.8Very high63 Ų6357.5 Ų57.565%0.64929%0.294SS*.THydrogen-bonded Turntrans74.521.117600000114.9A82 T83 E84A82-G86 PolarHBondContact O-N 2.83Å; T83-G86 WeakPolarHBondContact O-CA 3.43Å; T83-G86 PolarHBondContact O-N 3.41Å; E84-G86 VanDerWaalsContact C-N 3.26Å; E84-G86 PolarHBondContact O-N 3.48Å
87F98.6Very high97.9Very high15 Ų1555.7 Ų55.77%0.06629%0.293CS..  trans-80.1151.3175.1-69-83.3000112.4L50 L54 R57 I63 Y65 A82 N85L50-F87 HydrophobicContact CD1-CE2 4.31Å; L54-F87 HydrophobicContact CD2-CE2 3.71Å; L54-F87 HydrophobicContact CD2-CZ 3.84Å; L54-F87 HydrophobicContact CG-CE2 4.13Å; L54-F87 HydrophobicContact CG-CZ 4.15Å; R57-F87 HydrophobicContact CB-CE1 3.95Å; R57-F87 HydrophobicContact CB-CZ 4.45Å; R57-F87 HydrophobicContact CG-CE1 4.36Å; I63-F87 HydrophobicContact CB-CD1 4.21Å; I63-F87 HydrophobicContact CB-CE1 3.95Å; I63-F87 HydrophobicContact CG2-CD1 4.01Å; I63-F87 HydrophobicContact CG2-CE1 3.77Å; Y65-F87 HydrophobicContact CD2-CB 3.64Å; Y65-F87 HydrophobicContact CD2-CD1 4.22Å; Y65-F87 HydrophobicContact CD2-CD2 4.29Å; Y65-F87 AromaticContact CD2-CG 3.85Å; Y65-F87 HydrophobicContact CD2-CG 3.85Å; Y65-F87 HydrophobicContact CE2-CB 3.74Å; Y65-F87 AromaticContact CE2-CD1 3.61Å; Y65-F87 HydrophobicContact CE2-CD1 3.61Å; Y65-F87 AromaticContact CE2-CD2 3.57Å; Y65-F87 HydrophobicContact CE2-CD2 3.57Å; Y65-F87 AromaticContact CE2-CE1 3.96Å; Y65-F87 HydrophobicContact CE2-CE1 3.96Å; Y65-F87 AromaticContact CE2-CE2 3.93Å; Y65-F87 HydrophobicContact CE2-CE2 3.93Å; Y65-F87 AromaticContact CE2-CG 3.38Å; Y65-F87 HydrophobicContact CE2-CG 3.38Å; Y65-F87 HydrophobicContact CE2-CZ 4.11Å; A82-F87 WeakPolarHBondContact O-CB 3.34Å; A82-F87 WeakPolarHBondContact O-CD2 3.19Å; A82-F87 PolarHBondContact O-N 3.45Å; N85-F87 HydrophobicContact CB-CD2 3.66Å; N85-F87 HydrophobicContact CB-CE2 3.67Å
88K98.6Very high98.1Very high127 Ų12756.3 Ų56.355%0.55229%0.285SS*.EExtended strand (participates in β ladder)trans-68130.5166.2-174-173.4-179-1570109.3S64 Y65 L95S64-K88 CarbonylContact C-O 3.58Å; S64-K88 WeakPolarHBondContact CA-O 3.17Å; S64-K88 WeakPolarHBondContact CB-O 3.37Å; Y65-K88 PolarHBondContact N-O 3.37Å; K88-L95 HydrophobicContact CD-CD2 4.18Å; K88-L95 VanDerWaalsContact NZ-CD2 3.34Å
89V98.7Very high98.2Very high34 Ų3455 Ų5521%0.20628%0.276CS..EExtended strand (participates in β ladder)trans-127.8140.3178.6-173.40000109.2Y65 L67 I72 A82 T83Y65-V89 WeakPolarHBondContact O-CA 3.39Å; L67-V89 HydrophobicContact CD1-CG1 3.78Å; L67-V89 HydrophobicContact CG-CG1 4.16Å; I72-V89 HydrophobicContact CD1-CG1 4.49Å; A82-V89 HydrophobicContact CB-CG2 3.54Å; T83-V89 HydrophobicContact CG2-CB 4.33Å; T83-V89 HydrophobicContact CG2-CG2 3.76Å
90G98.4Very high98.3Very high3 Ų354.5 Ų54.53%0.03128%0.278CS..EExtended strand (participates in β ladder)trans-160.8176.3179.800000112Y65 A66 L67 E94Y65-G90 PolarHBondContact O-N 2.96Å; Y65-G90 VanDerWaalsContact O-N 3.13Å; A66-G90 WeakPolarHBondContact CA-O 3.36Å; L67-G90 PolarHBondContact N-O 2.96Å; G90-E94 VanDerWaalsContact CA-OE2 3.23Å; G90-E94 WeakPolarHBondContact CA-OE2 3.3Å
91T98.4Very high98.4Very high16 Ų1649 Ų4910%0.09826%0.257CS..  trans-75.5172.6175.778.90000111.6K69 I72 E93 E94 L95K69-T91 HydrophobicContact CB-CG2 4.49Å; K69-T91 HydrophobicContact CG-CG2 4.44Å; I72-T91 HydrophobicContact CD1-CG2 4.09Å; T91-E93 VanDerWaalsContact C-N 3.32Å; T91-E93 WeakPolarHBondContact CB-OE2 3.34Å; T91-E93 PolarHBondContact O-N 2.93Å; T91-E93 PolarHBondContact OG1-N 3.28Å; T91-E93 PolarHBondContact OG1-OE2 2.93Å; T91-E94 PolarHBondContact N-OE2 3.25Å; T91-E94 PolarHBondContact O-N 3.13Å; T91-E94 WeakPolarHBondContact OG1-CG 3.48Å; T91-E94 PolarHBondContact OG1-N 3.26Å; T91-L95 PolarHBondContact O-N 2.89Å
92Y98.4Very high98.4Very high20 Ų2044.9 Ų44.98%0.07824%0.239CC..Hα-helixtrans-60.9-44.1175.3-62.7-10.5000111V43 A66 R68 E94 L95 I96 T117 V118V43-Y92 HydrophobicContact CG1-CE1 3.84Å; A66-Y92 HydrophobicContact CB-CD1 3.87Å; A66-Y92 HydrophobicContact CB-CE1 4.24Å; R68-Y92 HydrophobicContact CG-CE2 4.11Å; R68-Y92 WeakPolarHBondContact CG-OH 3.01Å; Y92-E94 VanDerWaalsContact C-N 3.26Å; Y92-E94 PolarHBondContact O-N 2.96Å; Y92-L95 PolarHBondContact O-N 3.06Å; Y92-I96 WeakPolarHBondContact O-CB 3.37Å; Y92-I96 VanDerWaalsContact O-CG1 3.23Å; Y92-I96 WeakPolarHBondContact O-CG1 3.49Å; Y92-I96 PolarHBondContact O-N 2.88Å; Y92-T117 HydrophobicContact CD2-CG2 3.83Å; Y92-T117 HydrophobicContact CE2-CG2 4.2Å; Y92-V118 HydrophobicContact CD2-CG2 4.22Å; Y92-V118 HydrophobicContact CE2-CG2 4.34Å; Y92-V118 HydrophobicContact CG-CG2 4.46Å
93E98.2Very high98.5Very high115 Ų11544.9 Ų44.954%0.53724%0.239SC..Hα-helixtrans-64.8-30.4-179.9-56.177.5-169.800112.6T91 P97 L121T91-E93 VanDerWaalsContact C-N 3.32Å; T91-E93 WeakPolarHBondContact CB-OE2 3.34Å; T91-E93 PolarHBondContact O-N 2.93Å; T91-E93 PolarHBondContact OG1-N 3.28Å; T91-E93 PolarHBondContact OG1-OE2 2.93Å; E93-P97 WeakPolarHBondContact O-CD 3.4Å; E93-P97 VanDerWaalsContact O-CG 3.32Å; E93-P97 WeakPolarHBondContact O-CG 3.24Å; E93-L121 HydrophobicContact CG-CD1 4.44Å
94E98.3Very high98.5Very high114 Ų11442.7 Ų42.753%0.53323%0.226SC..Hα-helixtrans-79.6-38.5-178.4-70.2170.1175.800112.8G90 T91 Y92 Q98G90-E94 VanDerWaalsContact CA-OE2 3.23Å; G90-E94 WeakPolarHBondContact CA-OE2 3.3Å; T91-E94 PolarHBondContact N-OE2 3.25Å; T91-E94 PolarHBondContact O-N 3.13Å; T91-E94 WeakPolarHBondContact OG1-CG 3.48Å; T91-E94 PolarHBondContact OG1-N 3.26Å; Y92-E94 VanDerWaalsContact C-N 3.26Å; Y92-E94 PolarHBondContact O-N 2.96Å; E94-Q98 PolarHBondContact O-OE1 3.14Å
95L98.7Very high98.5Very high6 Ų636.6 Ų36.63%0.03120%0.198CC..Hα-helixtrans-107.2-38.1-168.6-63-177.2000114.3V41 Y65 A66 K88 T91 Y92V41-L95 HydrophobicContact CG1-CB 3.98Å; V41-L95 HydrophobicContact CG1-CD1 4.47Å; V41-L95 HydrophobicContact CG2-CB 4.42Å; Y65-L95 VanDerWaalsContact O-CD1 3.27Å; Y65-L95 WeakPolarHBondContact O-CD1 3.5Å; A66-L95 HydrophobicContact CB-CB 4.36Å; A66-L95 HydrophobicContact CB-CD1 4.29Å; K88-L95 HydrophobicContact CD-CD2 4.18Å; K88-L95 VanDerWaalsContact NZ-CD2 3.34Å; T91-L95 PolarHBondContact O-N 2.89Å; Y92-L95 PolarHBondContact O-N 3.06Å
96I98.8Very high98.4Very high0 Ų034.8 Ų34.80%019%0.189CC..G310 helixtrans-63.7-40.4-174.5-58.5-61.4000112.7V41 V43 A66 Y92 Q98 A99 V102 V118 L121 M122V41-I96 HydrophobicContact CB-CD1 4.47Å; V41-I96 HydrophobicContact CG1-CD1 3.88Å; V43-I96 HydrophobicContact CG2-CD1 4.08Å; A66-I96 HydrophobicContact CB-CD1 3.96Å; A66-I96 HydrophobicContact CB-CG1 4.41Å; Y92-I96 WeakPolarHBondContact O-CB 3.37Å; Y92-I96 VanDerWaalsContact O-CG1 3.23Å; Y92-I96 WeakPolarHBondContact O-CG1 3.49Å; Y92-I96 PolarHBondContact O-N 2.88Å; I96-Q98 PolarHBondContact O-N 3.34Å; I96-A99 WeakPolarHBondContact O-CB 3.49Å; I96-A99 PolarHBondContact O-N 3.13Å; I96-V102 HydrophobicContact CD1-CG1 3.77Å; I96-V102 HydrophobicContact CD1-CG2 3.99Å; I96-V102 HydrophobicContact CG2-CG2 4.24Å; I96-V118 HydrophobicContact CD1-CG1 4.02Å; I96-V118 HydrophobicContact CG1-CG1 4.23Å; I96-V118 HydrophobicContact CG2-CG1 3.88Å; I96-L121 HydrophobicContact CB-CB 3.99Å; I96-L121 HydrophobicContact CG2-CB 3.67Å; I96-M122 HydrophobicContact CG2-CB 4.44Å; I96-M122 HydrophobicContact CG2-CG 3.61Å
97P98.8Very high98Very high46 Ų4635.5 Ų35.530%0.29918%0.182SC..G310 helixtrans-62.1-17.6-175.1-25.935.8000115.9E93 L121E93-P97 WeakPolarHBondContact O-CD 3.4Å; E93-P97 VanDerWaalsContact O-CG 3.32Å; E93-P97 WeakPolarHBondContact O-CG 3.24Å; P97-L121 VanDerWaalsContact CA-O 3.22Å; P97-L121 WeakPolarHBondContact CA-O 3.31Å; P97-L121 HydrophobicContact CG-CB 4.47Å
98Q98.5Very high97.5Very high77 Ų7735.7 Ų35.736%0.3618%0.184SC..G310 helixtrans-108.4-6.2176.4-45.288.533.500113.5K39 E94 I96 K123K39-Q98 HydrophobicContact CD-CB 3.85Å; E94-Q98 PolarHBondContact O-OE1 3.14Å; I96-Q98 PolarHBondContact O-N 3.34Å; Q98-K123 PolarHBondContact O-NZ 3.02Å; Q98-K123 VanDerWaalsContact O-NZ 3.08Å
99A98.8Very high97.1Very high1 Ų132.1 Ų32.11%0.00817%0.168CC..  trans-60.5134.2-178.600000111.5V41 I96 V102 K123V41-A99 HydrophobicContact CB-CB 3.96Å; V41-A99 HydrophobicContact CG2-CB 3.48Å; V41-A99 VanDerWaalsContact CG2-CB 3.48Å; I96-A99 WeakPolarHBondContact O-CB 3.49Å; I96-A99 PolarHBondContact O-N 3.13Å; A99-V102 HydrophobicContact CB-CG2 3.51Å; A99-K123 WeakPolarHBondContact O-CE 3.45Å
100D98.9Very high96.9Very high47 Ų4733.7 Ų33.725%0.25117%0.174SC..SBendtrans-88.1-37.3169.7-65-69.6000110.8K38 K39 K123 A127K38-D100 WeakPolarHBondContact CA-OD2 3.15Å; K38-D100 HydrophobicContact CB-CB 3.78Å; K38-D100 HydrophobicContact CD-CB 4.13Å; K38-D100 HydrophobicContact CG-CB 4.22Å; K39-D100 PolarHBondContact N-OD2 3.4Å; K39-D100 PolarHBondContact O-N 3.27Å; D100-K123 VanDerWaalsContact CG-NZ 3.34Å; D100-K123 WeakPolarHBondContact OD1-CE 2.99Å; D100-K123 IonicContact OD1-NZ 2.78Å; D100-K123 PolarHBondContact OD1-NZ 3.46Å; D100-K123 IonicContact OD2-NZ 3.62Å; D100-A127 PolarHBondContact O-N 3.23Å
101L98.9Very high96.7Very high0 Ų033.7 Ų33.70%017%0.173CC..EExtended strand (participates in β ladder)trans-129.5120.6172.2172.962.8000108.6L35 K39 V40 V41 I103 A127 V150 I190L35-L101 HydrophobicContact CD1-CD2 4.04Å; L35-L101 HydrophobicContact CD2-CB 4.37Å; L35-L101 HydrophobicContact CD2-CD2 4.06Å; K39-L101 PolarHBondContact O-N 3.2Å; V40-L101 WeakPolarHBondContact CA-O 3.48Å; V40-L101 HydrophobicContact CG1-CD2 4.2Å; V40-L101 HydrophobicContact CG1-CG 4.41Å; V40-L101 HydrophobicContact CG2-CB 4.36Å; V40-L101 HydrophobicContact CG2-CD2 4.49Å; V41-L101 PolarHBondContact N-O 3.35Å; L101-I103 HydrophobicContact CD1-CG1 4.31Å; L101-I103 HydrophobicContact CD2-CD1 3.9Å; L101-I103 HydrophobicContact CD2-CG1 3.93Å; L101-I103 HydrophobicContact CG-CD1 4.27Å; L101-I103 HydrophobicContact CG-CG1 3.75Å; L101-A127 WeakPolarHBondContact CA-O 3.43Å; L101-A127 HydrophobicContact CD1-CB 3.7Å; L101-V150 HydrophobicContact CD1-CG2 4.39Å; L101-I190 HydrophobicContact CD1-CG2 4.1Å; L101-I190 HydrophobicContact CD2-CG2 4.08Å
102V98.9Very high96.6Very high1 Ų134 Ų341%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-100.8121.8170.2-177.70000108.3V41 V43 I96 A99 V118 M122 A127 L128 G129V41-V102 CarbonylContact O-C 3.58Å; V41-V102 VanDerWaalsContact O-CA 3.32Å; V41-V102 WeakPolarHBondContact O-CA 3.24Å; V43-V102 HydrophobicContact CG2-CG1 3.57Å; I96-V102 HydrophobicContact CD1-CG1 3.77Å; I96-V102 HydrophobicContact CD1-CG2 3.99Å; I96-V102 HydrophobicContact CG2-CG2 4.24Å; A99-V102 HydrophobicContact CB-CG2 3.51Å; V102-V118 HydrophobicContact CG1-CG1 3.87Å; V102-M122 HydrophobicContact CB-CE 4.22Å; V102-M122 HydrophobicContact CB-SD 4.35Å; V102-M122 HydrophobicContact CG2-CE 4.02Å; V102-M122 HydrophobicContact CG2-CG 4.05Å; V102-M122 HydrophobicContact CG2-SD 4.16Å; V102-A127 PolarHBondContact N-O 3.22Å; V102-L128 HydrophobicContact CB-CD1 4.36Å; V102-L128 HydrophobicContact CG1-CD1 4.36Å; V102-L128 CarbonylContact O-C 3.59Å; V102-L128 WeakPolarHBondContact O-CA 3.46Å; V102-G129 PolarHBondContact O-N 3.34Å
103I98.9Very high96.5Very high0 Ų038.1 Ų38.10%020%0.199CC..EExtended strand (participates in β ladder)trans-107.7113.1-178.4-48.8-178.4000109.3V40 V41 I42 V43 M56 L101 L105 W194V40-I103 HydrophobicContact CG1-CD1 3.57Å; V40-I103 HydrophobicContact CG1-CG1 4.07Å; V41-I103 PolarHBondContact O-N 3.39Å; I42-I103 CarbonylContact C-O 3.54Å; I42-I103 WeakPolarHBondContact CA-O 3.48Å; I42-I103 HydrophobicContact CG1-CB 4.33Å; I42-I103 HydrophobicContact CG1-CD1 4.35Å; V43-I103 PolarHBondContact N-O 3.07Å; M56-I103 HydrophobicContact CE-CD1 3.83Å; M56-I103 HydrophobicContact SD-CD1 4.05Å; L101-I103 HydrophobicContact CD1-CG1 4.31Å; L101-I103 HydrophobicContact CD2-CD1 3.9Å; L101-I103 HydrophobicContact CD2-CG1 3.93Å; L101-I103 HydrophobicContact CG-CD1 4.27Å; L101-I103 HydrophobicContact CG-CG1 3.75Å; I103-L105 HydrophobicContact CG2-CD1 3.96Å; I103-L105 HydrophobicContact CG2-CD2 4.12Å; I103-L105 HydrophobicContact CG2-CG 3.75Å; I103-L105 PolarHBondContact O-N 3.24Å; I103-W194 HydrophobicContact CD1-CD2 4.07Å; I103-W194 HydrophobicContact CD1-CZ2 4.05Å; I103-W194 HydrophobicContact CG2-CH2 3.35Å; I103-W194 HydrophobicContact CG2-CZ2 3.35Å; I103-W194 HydrophobicContact CG2-CZ3 4.15Å
104N98.5Very high96.4Very high2 Ų233.3 Ų33.31%0.01118%0.177CC..EExtended strand (participates in β ladder)trans-82.7103175.8-179.824.1000110.3T106 H111 G129 Y130N104-T106 PolarHBondContact OD1-N 2.95Å; N104-T106 PolarHBondContact OD1-OG1 2.92Å; N104-H111 PolarHBondContact ND2-CE1 2.97Å; N104-H111 VanDerWaalsContact ND2-CG 3.3Å; N104-H111 PolarHBondContact ND2-ND1 2.66Å; N104-G129 PolarHBondContact N-O 3.13Å; N104-Y130 HydrophobicContact CB-CD1 4.35Å; N104-Y130 HydrophobicContact CB-CE1 4.33Å; N104-Y130 WeakPolarHBondContact ND2-CE1 3.32Å
105L97.2Very high96.4Very high18 Ų1828 Ų289%0.09415%0.153CC..  trans-118.439.1175.3-62177.1000110.8I42 V43 Q48 Q52 I103 S131I42-L105 HydrophobicContact CG2-CB 4.22Å; I42-L105 HydrophobicContact CG2-CD1 3.91Å; I42-L105 HydrophobicContact CG2-CG 4.28Å; V43-L105 CarbonylContact O-C 3.49Å; V43-L105 PolarHBondContact O-N 3.45Å; V43-L105 VanDerWaalsContact O-N 3.17Å; Q48-L105 HydrophobicContact CB-CD2 4.34Å; Q52-L105 HydrophobicContact CB-CD1 4.39Å; I103-L105 HydrophobicContact CG2-CD1 3.96Å; I103-L105 HydrophobicContact CG2-CD2 4.12Å; I103-L105 HydrophobicContact CG2-CG 3.75Å; I103-L105 PolarHBondContact O-N 3.24Å; L105-S131 VanDerWaalsContact CD2-OG 3.25Å; L105-S131 WeakPolarHBondContact CD2-OG 3.28Å
106T94.9Very high96.4Very high26 Ų2632.7 Ų32.716%0.1617%0.17CC..SBendtrans-85.1169.1168640000110.2V43 N104 H111 V114V43-T106 HydrophobicContact CG1-CG2 4.07Å; N104-T106 PolarHBondContact OD1-N 2.95Å; N104-T106 PolarHBondContact OD1-OG1 2.92Å; T106-H111 PolarHBondContact O-CE1 3.01Å; T106-H111 PolarHBondContact OG1-ND1 3.47Å; T106-H111 VanDerWaalsContact OG1-ND1 3.14Å; T106-V114 HydrophobicContact CG2-CG1 4.41Å; T106-V114 HydrophobicContact CG2-CG2 3.91Å
107P90.6Very high96.3Very high78 Ų7836.1 Ų36.151%0.50619%0.191SC..  trans-69.5152172.5-9.123.7000111.2K109 Q110 H111P107-K109 VanDerWaalsContact C-N 3.3Å; P107-K109 PolarHBondContact O-N 3.04Å; P107-Q110 VanDerWaalsContact CD-OE1 3.29Å; P107-Q110 PolarHBondContact O-N 3.35Å; P107-Q110 PolarHBondContact O-OE1 3.21Å; P107-H111 PolarHBondContact O-N 3.44Å; P107-H111 PolarHBondContact O-ND1 3.48Å; P107-H111 VanDerWaalsContact O-ND1 3.14Å
108D88.2Confident96.3Very high19 Ų1934 Ų3410%0.10218%0.177CC..G310 helixtrans-58.9-40.8-169.5-56.9-59.3000113Q110 H111 H132 F134D108-Q110 PolarHBondContact O-N 2.95Å; D108-Q110 VanDerWaalsContact O-N 3.08Å; D108-H111 VanDerWaalsContact O-CB 3.25Å; D108-H111 WeakPolarHBondContact O-CB 3.39Å; D108-H111 PolarHBondContact O-N 3.16Å; D108-H111 IonicContact OD1-CD2 2.87Å; D108-H111 IonicContact OD1-CE1 2.73Å; D108-H111 IonicContact OD1-NE2 3.76Å; D108-H111 PolarHBondContact OD1-NE2 2.91Å; D108-H132 IonicContact OD1-CD2 3.45Å; D108-H132 PolarHBondContact OD1-CD2 2.97Å; D108-H132 IonicContact OD1-CG 2.67Å; D108-H132 IonicContact OD2-CD2 3.4Å; D108-F134 HydrophobicContact CB-CB 4.42Å
109K90.2Very high96.3Very high52 Ų5231.3 Ų31.323%0.22617%0.165CC..G310 helixtrans-56-27.1176-179171.3177.6170.50113.2P107 W320 D324P107-K109 VanDerWaalsContact C-N 3.3Å; P107-K109 PolarHBondContact O-N 3.04Å; K109-W320 HydrophobicContact CB-CD2 4.2Å; K109-W320 HydrophobicContact CB-CE3 4.19Å; K109-W320 HydrophobicContact CB-CH2 4.01Å; K109-W320 HydrophobicContact CB-CZ2 4Å; K109-W320 HydrophobicContact CB-CZ3 4.11Å; K109-W320 HydrophobicContact CD-CB 4.27Å; K109-W320 HydrophobicContact CD-CD2 3.87Å; K109-W320 HydrophobicContact CD-CE3 4.43Å; K109-W320 HydrophobicContact CD-CG 3.78Å; K109-W320 HydrophobicContact CG-CD2 3.78Å; K109-W320 HydrophobicContact CG-CE3 3.85Å; K109-W320 HydrophobicContact CG-CG 4.18Å; K109-W320 HydrophobicContact CG-CZ2 4.49Å; K109-W320 HydrophobicContact CG-CZ3 4.26Å; K109-D324 IonicContact NZ-OD1 3.49Å; K109-D324 PolarHBondContact NZ-OD1 2.98Å; K109-D324 IonicContact NZ-OD2 3.08Å; K109-D324 PolarHBondContact NZ-OD2 3.19Å
110Q93.5Very high96.3Very high67 Ų6735.9 Ų35.931%0.31319%0.194SC..G310 helixtrans-96.3-3.2178.6-67.780.542.300113.8P107 D108 S112 D113 V114P107-Q110 VanDerWaalsContact CD-OE1 3.29Å; P107-Q110 PolarHBondContact O-N 3.35Å; P107-Q110 PolarHBondContact O-OE1 3.21Å; D108-Q110 PolarHBondContact O-N 2.95Å; D108-Q110 VanDerWaalsContact O-N 3.08Å; Q110-S112 PolarHBondContact O-N 3.32Å; Q110-D113 PolarHBondContact O-N 3.16Å; Q110-V114 HydrophobicContact CB-CG2 4.45Å; Q110-V114 WeakPolarHBondContact O-CB 3.43Å; Q110-V114 VanDerWaalsContact O-CG2 3.27Å; Q110-V114 WeakPolarHBondContact O-CG2 3.46Å; Q110-V114 PolarHBondContact O-N 3.47Å
111H95.6Very high96.3Very high3 Ų336 Ų361%0.01420%0.195CC..Hα-helixtrans-57.8-46-175.5-77.73.3000112.8N104 T106 P107 D108 D113 V114 V115 Y130 N135N104-H111 PolarHBondContact ND2-CE1 2.97Å; N104-H111 VanDerWaalsContact ND2-CG 3.3Å; N104-H111 PolarHBondContact ND2-ND1 2.66Å; T106-H111 PolarHBondContact O-CE1 3.01Å; T106-H111 PolarHBondContact OG1-ND1 3.47Å; T106-H111 VanDerWaalsContact OG1-ND1 3.14Å; P107-H111 PolarHBondContact O-N 3.44Å; P107-H111 PolarHBondContact O-ND1 3.48Å; P107-H111 VanDerWaalsContact O-ND1 3.14Å; D108-H111 VanDerWaalsContact O-CB 3.25Å; D108-H111 WeakPolarHBondContact O-CB 3.39Å; D108-H111 PolarHBondContact O-N 3.16Å; D108-H111 IonicContact OD1-CD2 2.87Å; D108-H111 IonicContact OD1-CE1 2.73Å; D108-H111 IonicContact OD1-NE2 3.76Å; D108-H111 PolarHBondContact OD1-NE2 2.91Å; H111-D113 PolarHBondContact O-N 3.24Å; H111-V114 PolarHBondContact O-N 3.27Å; H111-V115 WeakPolarHBondContact O-CB 3.2Å; H111-V115 WeakPolarHBondContact O-CG2 3.34Å; H111-V115 PolarHBondContact O-N 3.01Å; H111-Y130 AromaticContact CD2-CD1 3.74Å; H111-Y130 AromaticContact CD2-CE1 3.69Å; H111-Y130 AromaticContact NE2-CD1 3.63Å; H111-N135 HydrophobicContact CB-CB 3.55Å
112S95.8Very high96.3Very high21 Ų2136.2 Ų36.215%0.14720%0.195CC..Hα-helixtrans-57.1-48.1179.5-72.40000112.8Q110 V115 R116 N135 E141Q110-S112 PolarHBondContact O-N 3.32Å; S112-V115 PolarHBondContact O-N 3.12Å; S112-R116 VanDerWaalsContact O-CB 3.31Å; S112-R116 WeakPolarHBondContact O-CB 3.49Å; S112-R116 WeakPolarHBondContact O-CD 3.2Å; S112-R116 WeakPolarHBondContact O-CG 3.41Å; S112-R116 PolarHBondContact O-N 3.43Å; S112-R116 PolarHBondContact OG-NH2 2.97Å; S112-N135 PolarHBondContact N-OD1 2.99Å; S112-N135 PolarHBondContact OG-OD1 2.81Å; S112-E141 WeakPolarHBondContact CB-OE2 3.32Å; S112-E141 PolarHBondContact OG-OE2 3.37Å
113D95.8Very high96.3Very high108 Ų10839.7 Ų39.758%0.57821%0.211SC*.Hα-helixtrans-65.2-43.2-178.9-69.2-20.8000111.4Q110 H111 T117Q110-D113 PolarHBondContact O-N 3.16Å; H111-D113 PolarHBondContact O-N 3.24Å; D113-T117 WeakPolarHBondContact O-CB 3.46Å; D113-T117 PolarHBondContact O-N 3.49Å; D113-T117 VanDerWaalsContact O-N 3.12Å; D113-T117 PolarHBondContact O-OG1 2.99Å
114V96.8Very high96.2Very high14 Ų1445.8 Ų45.89%0.08524%0.243CC..Hα-helixtrans-62-52.4177.5169.90000110.4V43 T106 Q110 H111 R116 T117 V118V43-V114 HydrophobicContact CB-CG1 4.47Å; V43-V114 HydrophobicContact CG1-CG1 3.68Å; T106-V114 HydrophobicContact CG2-CG1 4.41Å; T106-V114 HydrophobicContact CG2-CG2 3.91Å; Q110-V114 HydrophobicContact CB-CG2 4.45Å; Q110-V114 WeakPolarHBondContact O-CB 3.43Å; Q110-V114 VanDerWaalsContact O-CG2 3.27Å; Q110-V114 WeakPolarHBondContact O-CG2 3.46Å; Q110-V114 PolarHBondContact O-N 3.47Å; H111-V114 PolarHBondContact O-N 3.27Å; V114-R116 PolarHBondContact O-N 2.85Å; V114-T117 PolarHBondContact O-N 3.44Å; V114-T117 VanDerWaalsContact O-N 3.16Å; V114-V118 HydrophobicContact CG1-CG2 4.16Å; V114-V118 VanDerWaalsContact O-CB 3.3Å; V114-V118 WeakPolarHBondContact O-CB 3.47Å; V114-V118 VanDerWaalsContact O-CG2 3.23Å; V114-V118 WeakPolarHBondContact O-CG2 3.41Å; V114-V118 PolarHBondContact O-N 3.36Å
115V98.1Very high96.2Very high2 Ų246 Ų461%0.01225%0.246CC..Hα-helixtrans-64.7-42.8-174.7169.70000110.6H111 S112 T117 V118 Q119 L128 Y130 E141 I143H111-V115 WeakPolarHBondContact O-CB 3.2Å; H111-V115 WeakPolarHBondContact O-CG2 3.34Å; H111-V115 PolarHBondContact O-N 3.01Å; S112-V115 PolarHBondContact O-N 3.12Å; V115-T117 VanDerWaalsContact C-N 3.28Å; V115-T117 PolarHBondContact O-N 3.12Å; V115-V118 PolarHBondContact O-N 3.38Å; V115-Q119 HydrophobicContact CG1-CG 3.97Å; V115-Q119 VanDerWaalsContact CG1-NE2 3.32Å; V115-Q119 VanDerWaalsContact O-CB 3.28Å; V115-Q119 WeakPolarHBondContact O-CB 3.24Å; V115-Q119 WeakPolarHBondContact O-CG 3.31Å; V115-Q119 PolarHBondContact O-N 2.97Å; V115-L128 HydrophobicContact CG1-CD2 4.3Å; V115-Y130 HydrophobicContact CG2-CE1 4.24Å; V115-Y130 WeakPolarHBondContact CG2-OH 3.16Å; V115-E141 HydrophobicContact CG1-CG 3.92Å; V115-I143 HydrophobicContact CG1-CD1 3.56Å
116R97.9Very high96.3Very high104 Ų10445.2 Ų45.239%0.39224%0.242SC..Hα-helixtrans-65.3-30.8176.1-69.3169.6-168.2159.612.3113.1M1 S112 V114 P120 E141M1-R116 VanDerWaalsContact CE-NH2 3.28Å; M1-R116 PolarHBondContact SD-NH2 3.47Å; S112-R116 VanDerWaalsContact O-CB 3.31Å; S112-R116 WeakPolarHBondContact O-CB 3.49Å; S112-R116 WeakPolarHBondContact O-CD 3.2Å; S112-R116 WeakPolarHBondContact O-CG 3.41Å; S112-R116 PolarHBondContact O-N 3.43Å; S112-R116 PolarHBondContact OG-NH2 2.97Å; V114-R116 PolarHBondContact O-N 2.85Å; R116-P120 WeakPolarHBondContact O-CD 3.4Å; R116-P120 WeakPolarHBondContact O-CG 3.22Å; R116-E141 WeakPolarHBondContact CG-OE1 3.2Å; R116-E141 IonicContact CZ-OE1 2.82Å; R116-E141 IonicContact CZ-OE2 2.66Å; R116-E141 IonicContact NE-OE1 2.74Å; R116-E141 PolarHBondContact NE-OE1 2.91Å; R116-E141 IonicContact NE-OE2 3.58Å; R116-E141 PolarHBondContact NE-OE2 2.9Å; R116-E141 IonicContact NH2-OE1 3.52Å; R116-E141 PolarHBondContact NH2-OE1 3.2Å; R116-E141 IonicContact NH2-OE2 2.77Å; R116-E141 PolarHBondContact NH2-OE2 3.12Å
117T98.1Very high96.5Very high73 Ų7344 Ų4445%0.44824%0.235SC..Hα-helixtrans-78.2-38.3176.7-55.30000112Y92 D113 V114 V115Y92-T117 HydrophobicContact CD2-CG2 3.83Å; Y92-T117 HydrophobicContact CE2-CG2 4.2Å; D113-T117 WeakPolarHBondContact O-CB 3.46Å; D113-T117 PolarHBondContact O-N 3.49Å; D113-T117 VanDerWaalsContact O-N 3.12Å; D113-T117 PolarHBondContact O-OG1 2.99Å; V114-T117 PolarHBondContact O-N 3.44Å; V114-T117 VanDerWaalsContact O-N 3.16Å; V115-T117 VanDerWaalsContact C-N 3.28Å; V115-T117 PolarHBondContact O-N 3.12Å
118V98.1Very high96.9Very high2 Ų240.5 Ų40.51%0.01221%0.212CC..Hα-helixtrans-82.6-40.4-173.6167.70000112.1V43 Y92 I96 V102 V114 V115 L121 M122V43-V118 HydrophobicContact CG2-CG2 4.39Å; Y92-V118 HydrophobicContact CD2-CG2 4.22Å; Y92-V118 HydrophobicContact CE2-CG2 4.34Å; Y92-V118 HydrophobicContact CG-CG2 4.46Å; I96-V118 HydrophobicContact CD1-CG1 4.02Å; I96-V118 HydrophobicContact CG1-CG1 4.23Å; I96-V118 HydrophobicContact CG2-CG1 3.88Å; V102-V118 HydrophobicContact CG1-CG1 3.87Å; V114-V118 HydrophobicContact CG1-CG2 4.16Å; V114-V118 VanDerWaalsContact O-CB 3.3Å; V114-V118 WeakPolarHBondContact O-CB 3.47Å; V114-V118 VanDerWaalsContact O-CG2 3.23Å; V114-V118 WeakPolarHBondContact O-CG2 3.41Å; V114-V118 PolarHBondContact O-N 3.36Å; V115-V118 PolarHBondContact O-N 3.38Å; V118-L121 WeakPolarHBondContact O-CA 3.32Å; V118-L121 WeakPolarHBondContact O-CB 3.35Å; V118-L121 PolarHBondContact O-N 3.1Å; V118-M122 HydrophobicContact CG1-CG 4.06Å; V118-M122 HydrophobicContact CG1-SD 4.01Å; V118-M122 PolarHBondContact O-N 3.16Å
119Q98.5Very high97.4Very high20 Ų2039.6 Ų39.69%0.09321%0.207CC..G310 helixtrans-52.8-44.9-176.6-82.1-167.782.200114.4V115 L121 M122 Q142 I143 I147V115-Q119 HydrophobicContact CG1-CG 3.97Å; V115-Q119 VanDerWaalsContact CG1-NE2 3.32Å; V115-Q119 VanDerWaalsContact O-CB 3.28Å; V115-Q119 WeakPolarHBondContact O-CB 3.24Å; V115-Q119 WeakPolarHBondContact O-CG 3.31Å; V115-Q119 PolarHBondContact O-N 2.97Å; Q119-L121 PolarHBondContact O-N 3.01Å; Q119-M122 PolarHBondContact O-N 2.77Å; Q119-M122 VanDerWaalsContact O-N 3.13Å; Q119-Q142 PolarHBondContact NE2-O 2.66Å; Q119-Q142 VanDerWaalsContact NE2-O 3.12Å; Q119-I143 VanDerWaalsContact OE1-CA 3.24Å; Q119-I147 HydrophobicContact CG-CD1 4.3Å
120P98.6Very high97.8Very high97 Ų9737.1 Ų37.163%0.6320%0.196SC*.G310 helixtrans-62.5-24.2177.9-2435.4000113.9R116R116-P120 WeakPolarHBondContact O-CD 3.4Å; R116-P120 WeakPolarHBondContact O-CG 3.22Å
121L98.8Very high98Very high49 Ų4934.9 Ų34.926%0.25719%0.188SC..G310 helixtrans-87.3-17.3179.2-59.3174.9000112.3E93 I96 P97 V118 Q119E93-L121 HydrophobicContact CG-CD1 4.44Å; I96-L121 HydrophobicContact CB-CB 3.99Å; I96-L121 HydrophobicContact CG2-CB 3.67Å; P97-L121 VanDerWaalsContact CA-O 3.22Å; P97-L121 WeakPolarHBondContact CA-O 3.31Å; P97-L121 HydrophobicContact CG-CB 4.47Å; V118-L121 WeakPolarHBondContact O-CA 3.32Å; V118-L121 WeakPolarHBondContact O-CB 3.35Å; V118-L121 PolarHBondContact O-N 3.1Å; Q119-L121 PolarHBondContact O-N 3.01Å
122M98.9Very high97.9Very high4 Ų435.7 Ų35.72%0.0219%0.192CC..SBendtrans-71.7132.3-179.7-68.9176.665.500111.1I96 V102 V118 Q119 A126 A127 L128 R144 I147I96-M122 HydrophobicContact CG2-CB 4.44Å; I96-M122 HydrophobicContact CG2-CG 3.61Å; V102-M122 HydrophobicContact CB-CE 4.22Å; V102-M122 HydrophobicContact CB-SD 4.35Å; V102-M122 HydrophobicContact CG2-CE 4.02Å; V102-M122 HydrophobicContact CG2-CG 4.05Å; V102-M122 HydrophobicContact CG2-SD 4.16Å; V118-M122 HydrophobicContact CG1-CG 4.06Å; V118-M122 HydrophobicContact CG1-SD 4.01Å; V118-M122 PolarHBondContact O-N 3.16Å; Q119-M122 PolarHBondContact O-N 2.77Å; Q119-M122 VanDerWaalsContact O-N 3.13Å; M122-A126 HydrophobicContact CE-CB 3.88Å; M122-A127 WeakPolarHBondContact CE-O 3.39Å; M122-L128 HydrophobicContact CE-CB 4.13Å; M122-L128 HydrophobicContact SD-CD1 4.47Å; M122-R144 PolarHBondContact O-NH1 2.98Å; M122-R144 PolarHBondContact O-NH2 3.47Å; M122-I147 HydrophobicContact CB-CD1 4.19Å; M122-I147 HydrophobicContact CE-CD1 3.93Å; M122-I147 HydrophobicContact CE-CG1 4.23Å; M122-I147 HydrophobicContact CE-CG2 3.82Å; M122-I147 HydrophobicContact SD-CD1 3.92Å
123K98.6Very high97.9Very high75 Ų7534.7 Ų34.733%0.32619%0.185SC..PPolyproline II helixtrans-64.3157.4174.169.5-174-173.1-163.70111.5Q98 A99 D100 G125 A126 R144Q98-K123 PolarHBondContact O-NZ 3.02Å; Q98-K123 VanDerWaalsContact O-NZ 3.08Å; A99-K123 WeakPolarHBondContact O-CE 3.45Å; D100-K123 VanDerWaalsContact CG-NZ 3.34Å; D100-K123 WeakPolarHBondContact OD1-CE 2.99Å; D100-K123 IonicContact OD1-NZ 2.78Å; D100-K123 PolarHBondContact OD1-NZ 3.46Å; D100-K123 IonicContact OD2-NZ 3.62Å; K123-G125 PolarHBondContact O-N 3.36Å; K123-A126 HydrophobicContact CG-CB 3.97Å; K123-A126 WeakPolarHBondContact O-CB 3.4Å; K123-A126 PolarHBondContact O-N 2.9Å; K123-R144 PolarHBondContact O-NH2 3.21Å; K123-R144 VanDerWaalsContact O-NH2 3.14Å
124D98.6Very high97.9Very high127 Ų12729.5 Ų29.568%0.67916%0.157SC*.THydrogen-bonded Turntrans-55.2131176.6-176.3-94.3000111A126 D146D124-A126 VanDerWaalsContact C-N 3.27Å; D124-A126 PolarHBondContact O-N 2.95Å; D124-D146 WeakPolarHBondContact CA-OD2 3.47Å
125G98.4Very high98Very high7 Ų728.9 Ų28.97%0.07215%0.153CC..THydrogen-bonded Turntrans73.213.8175.300000115.4K123 D146 K184K123-G125 PolarHBondContact O-N 3.36Å; G125-D146 VanDerWaalsContact CA-O 3.3Å; G125-D146 WeakPolarHBondContact CA-O 3.3Å; G125-D146 PolarHBondContact N-OD2 3.38Å; G125-K184 VanDerWaalsContact CA-NZ 3.28Å; G125-K184 PolarHBondContact O-NZ 2.8Å
126A98.8Very high98Very high2 Ų228.9 Ų28.92%0.01715%0.153CC..  trans-69.8166.9168.800000111.4M122 K123 D124 I147 T148M122-A126 HydrophobicContact CE-CB 3.88Å; K123-A126 HydrophobicContact CG-CB 3.97Å; K123-A126 WeakPolarHBondContact O-CB 3.4Å; K123-A126 PolarHBondContact O-N 2.9Å; D124-A126 VanDerWaalsContact C-N 3.27Å; D124-A126 PolarHBondContact O-N 2.95Å; A126-I147 VanDerWaalsContact O-CA 3.3Å; A126-I147 WeakPolarHBondContact O-CA 3.4Å; A126-T148 PolarHBondContact O-N 2.89Å; A126-T148 VanDerWaalsContact O-N 3.11Å
127A98.9Very high98Very high1 Ų123.9 Ų23.91%0.00813%0.134CC..EExtended strand (participates in β ladder)trans-107.7146.817500000112.5D100 L101 V102 M122 T148 I190D100-A127 PolarHBondContact O-N 3.23Å; L101-A127 WeakPolarHBondContact CA-O 3.43Å; L101-A127 HydrophobicContact CD1-CB 3.7Å; V102-A127 PolarHBondContact N-O 3.22Å; M122-A127 WeakPolarHBondContact CE-O 3.39Å; A127-T148 CarbonylContact C-O 3.44Å; A127-T148 WeakPolarHBondContact CA-O 3.31Å; A127-I190 HydrophobicContact CB-CD1 3.61Å; A127-I190 HydrophobicContact CB-CG2 4.49Å
128L98.9Very high98Very high3 Ų320.7 Ų20.72%0.01611%0.114CC..EExtended strand (participates in β ladder)trans-114.3122.9171.8-178.163.1000109.4V102 V115 M122 Y130 I143 I147 T148 V149 V150V102-L128 HydrophobicContact CB-CD1 4.36Å; V102-L128 HydrophobicContact CG1-CD1 4.36Å; V102-L128 CarbonylContact O-C 3.59Å; V102-L128 WeakPolarHBondContact O-CA 3.46Å; V115-L128 HydrophobicContact CG1-CD2 4.3Å; M122-L128 HydrophobicContact CE-CB 4.13Å; M122-L128 HydrophobicContact SD-CD1 4.47Å; L128-Y130 HydrophobicContact CD2-CE2 3.68Å; L128-Y130 HydrophobicContact CG-CD2 4.45Å; L128-Y130 HydrophobicContact CG-CE2 3.76Å; L128-I143 HydrophobicContact CD2-CD1 3.85Å; L128-I143 HydrophobicContact CD2-CG1 4.43Å; L128-I143 HydrophobicContact CD2-CG2 4.35Å; L128-I147 HydrophobicContact CB-CG2 3.76Å; L128-T148 PolarHBondContact N-O 3.42Å; L128-V149 HydrophobicContact CB-CG2 4.37Å; L128-V149 WeakPolarHBondContact O-CA 3.32Å; L128-V150 PolarHBondContact O-N 3Å
129G98.8Very high97.9Very high0 Ų021.1 Ų21.10%012%0.117CC..EExtended strand (participates in β ladder)trans-107142.7-18000000112.6V102 N104 V150V102-G129 PolarHBondContact O-N 3.34Å; N104-G129 PolarHBondContact N-O 3.13Å; G129-V150 CarbonylContact C-O 3.56Å; G129-V150 VanDerWaalsContact CA-O 3.31Å; G129-V150 WeakPolarHBondContact CA-O 3.45Å
130Y98.6Very high97.9Very high0 Ų020.2 Ų20.20%011%0.113CC..EExtended strand (participates in β ladder)trans-124.9156.7169.5-67.2-96.4000110.8N104 H111 V115 L128 H132 N135 I136 V149 V150 M151 V152 W194 F210N104-Y130 HydrophobicContact CB-CD1 4.35Å; N104-Y130 HydrophobicContact CB-CE1 4.33Å; N104-Y130 WeakPolarHBondContact ND2-CE1 3.32Å; H111-Y130 AromaticContact CD2-CD1 3.74Å; H111-Y130 AromaticContact CD2-CE1 3.69Å; H111-Y130 AromaticContact NE2-CD1 3.63Å; V115-Y130 HydrophobicContact CG2-CE1 4.24Å; V115-Y130 WeakPolarHBondContact CG2-OH 3.16Å; L128-Y130 HydrophobicContact CD2-CE2 3.68Å; L128-Y130 HydrophobicContact CG-CD2 4.45Å; L128-Y130 HydrophobicContact CG-CE2 3.76Å; Y130-H132 WeakPolarHBondContact CB-O 3.13Å; Y130-N135 HydrophobicContact CE1-CB 4.04Å; Y130-N135 PolarHBondContact OH-ND2 3.19Å; Y130-I136 HydrophobicContact CD2-CG1 4.33Å; Y130-I136 HydrophobicContact CE2-CD1 3.97Å; Y130-I136 HydrophobicContact CE2-CG1 3.92Å; Y130-V149 HydrophobicContact CD2-CG1 4.28Å; Y130-V149 HydrophobicContact CE2-CG1 4.16Å; Y130-V150 PolarHBondContact N-O 2.96Å; Y130-M151 WeakPolarHBondContact O-CA 3.32Å; Y130-M151 WeakPolarHBondContact O-CG 3.35Å; Y130-V152 PolarHBondContact O-N 3.32Å; Y130-W194 WeakPolarHBondContact O-CH2 3.24Å; Y130-F210 HydrophobicContact CD2-CE1 4.13Å; Y130-F210 HydrophobicContact CD2-CZ 4.37Å; Y130-F210 HydrophobicContact CG-CE1 4.46Å
131S96.8Very high97.9Very high20 Ų2016 Ų1614%0.149%0.085CC..SBendtrans-108.2-0.8164.8-74.80000113.7Q52 L105 V152 A153Q52-S131 PolarHBondContact NE2-OG 3.25Å; L105-S131 VanDerWaalsContact CD2-OG 3.25Å; L105-S131 WeakPolarHBondContact CD2-OG 3.28Å; S131-V152 VanDerWaalsContact CA-O 3.31Å; S131-V152 WeakPolarHBondContact CA-O 3.22Å; S131-V152 VanDerWaalsContact CB-O 3.31Å; S131-V152 WeakPolarHBondContact CB-O 3.46Å; S131-V152 PolarHBondContact OG-O 3.33Å; S131-A153 VanDerWaalsContact O-CB 3.24Å; S131-A153 WeakPolarHBondContact O-CB 3.39Å
132H94.4Very high97.8Very high20 Ų2020.3 Ų20.39%0.09310%0.103CC..SBendtrans-147.1138.8168.4-17847.7000109.3D108 Y130 F134 E213 D217D108-H132 IonicContact OD1-CD2 3.45Å; D108-H132 PolarHBondContact OD1-CD2 2.97Å; D108-H132 IonicContact OD1-CG 2.67Å; D108-H132 IonicContact OD2-CD2 3.4Å; Y130-H132 WeakPolarHBondContact CB-O 3.13Å; H132-F134 WeakPolarHBondContact NE2-CB 3.46Å; H132-F134 PolarHBondContact O-N 3.45Å; H132-E213 IonicContact CE1-OE1 2.7Å; H132-E213 IonicContact CG-OE1 2.67Å; H132-E213 IonicContact ND1-OE1 3.01Å; H132-E213 PolarHBondContact ND1-OE1 2.87Å; H132-E213 IonicContact ND1-OE2 2.64Å; H132-E213 PolarHBondContact ND1-OE2 3.36Å; H132-D217 IonicContact CE1-OD2 3.46Å; H132-D217 PolarHBondContact CE1-OD2 3.49Å; H132-D217 IonicContact ND1-OD2 3.77Å; H132-D217 IonicContact NE2-OD2 3.37Å
133G95.3Very high97.8Very high0 Ų020.8 Ų20.80%011%0.106CC..  trans-84.5-0.9-169.400000115.9N135 I136 V137 M151 E213G133-N135 VanDerWaalsContact C-N 3.29Å; G133-N135 PolarHBondContact O-N 2.81Å; G133-N135 VanDerWaalsContact O-N 3.12Å; G133-I136 PolarHBondContact O-N 2.76Å; G133-V137 PolarHBondContact O-N 3.45Å; G133-M151 PolarHBondContact N-SD 3.12Å; G133-M151 VanDerWaalsContact N-SD 3.41Å; G133-E213 PolarHBondContact N-OE2 2.91Å
134F96.6Very high97.8Very high0 Ų021.4 Ų21.40%011%0.106CC..Hα-helixtrans-49-45.6-169.1-168.6-89.9000114D108 H132 I136 V137 E138 V139 L218 M316 M317 W320 T416D108-F134 HydrophobicContact CB-CB 4.42Å; H132-F134 WeakPolarHBondContact NE2-CB 3.46Å; H132-F134 PolarHBondContact O-N 3.45Å; F134-I136 VanDerWaalsContact C-N 3.33Å; F134-I136 PolarHBondContact O-N 3.12Å; F134-V137 PolarHBondContact O-N 3.45Å; F134-E138 HydrophobicContact CD1-CB 4.19Å; F134-E138 HydrophobicContact CD2-CB 3.96Å; F134-E138 HydrophobicContact CD2-CG 3.65Å; F134-E138 HydrophobicContact CE1-CB 3.98Å; F134-E138 HydrophobicContact CE2-CB 3.76Å; F134-E138 HydrophobicContact CE2-CG 3.6Å; F134-E138 HydrophobicContact CG-CB 4.16Å; F134-E138 HydrophobicContact CG-CG 4.22Å; F134-E138 HydrophobicContact CZ-CB 3.74Å; F134-E138 HydrophobicContact CZ-CG 4.13Å; F134-E138 WeakPolarHBondContact O-CA 3.49Å; F134-E138 WeakPolarHBondContact O-CB 3.48Å; F134-E138 PolarHBondContact O-N 2.87Å; F134-V139 HydrophobicContact CD1-CG2 3.88Å; F134-V139 HydrophobicContact CE1-CG2 3.75Å; F134-V139 PolarHBondContact O-N 3.03Å; F134-L218 HydrophobicContact CD2-CD2 4.43Å; F134-M316 HydrophobicContact CE1-CE 4.18Å; F134-M316 HydrophobicContact CE2-CE 3.58Å; F134-M316 HydrophobicContact CZ-CE 3.26Å; F134-M317 HydrophobicContact CE1-SD 4.33Å; F134-W320 HydrophobicContact CD1-CH2 4.3Å; F134-W320 AromaticContact CE1-CH2 3.62Å; F134-W320 HydrophobicContact CE1-CH2 3.62Å; F134-W320 AromaticContact CE1-CZ3 3.94Å; F134-W320 HydrophobicContact CE1-CZ3 3.94Å; F134-W320 HydrophobicContact CZ-CH2 4.02Å; F134-T416 HydrophobicContact CD2-CG2 4.33Å; F134-T416 HydrophobicContact CE2-CG2 4.12Å
135N97.6Very high97.8Very high0 Ų024.1 Ų24.10%011%0.112CC..Hα-helixtrans-67.1-32.4-177.2-173.763.7000113.3H111 S112 Y130 G133 V139 G140 E141H111-N135 HydrophobicContact CB-CB 3.55Å; S112-N135 PolarHBondContact N-OD1 2.99Å; S112-N135 PolarHBondContact OG-OD1 2.81Å; Y130-N135 HydrophobicContact CE1-CB 4.04Å; Y130-N135 PolarHBondContact OH-ND2 3.19Å; G133-N135 VanDerWaalsContact C-N 3.29Å; G133-N135 PolarHBondContact O-N 2.81Å; G133-N135 VanDerWaalsContact O-N 3.12Å; N135-V139 WeakPolarHBondContact O-CB 3.24Å; N135-G140 PolarHBondContact O-N 2.87Å; N135-E141 VanDerWaalsContact ND2-CB 3.29Å; N135-E141 WeakPolarHBondContact ND2-CB 3.19Å; N135-E141 WeakPolarHBondContact ND2-CG 3.23Å; N135-E141 VanDerWaalsContact O-CB 3.29Å; N135-E141 WeakPolarHBondContact O-CB 3.41Å; N135-E141 PolarHBondContact O-N 3Å
136I98.4Very high97.8Very high2 Ų225.2 Ų25.21%0.0112%0.116CC..Hα-helixtrans-78.2-41.9176.3-63.3-60.3000110.2Y4 Y130 G133 F134 G140 I143 V149 H178 F210Y4-I136 WeakPolarHBondContact CB-O 3.07Å; Y130-I136 HydrophobicContact CD2-CG1 4.33Å; Y130-I136 HydrophobicContact CE2-CD1 3.97Å; Y130-I136 HydrophobicContact CE2-CG1 3.92Å; G133-I136 PolarHBondContact O-N 2.76Å; F134-I136 VanDerWaalsContact C-N 3.33Å; F134-I136 PolarHBondContact O-N 3.12Å; I136-G140 WeakPolarHBondContact O-CA 3.31Å; I136-I143 HydrophobicContact CD1-CD1 4.08Å; I136-I143 HydrophobicContact CD1-CG1 3.69Å; I136-V149 HydrophobicContact CD1-CG1 4.16Å; I136-V149 HydrophobicContact CG1-CG1 4.27Å; I136-H178 VanDerWaalsContact CG2-CE1 3.47Å; I136-H178 WeakPolarHBondContact CG2-CE1 3.17Å; I136-H178 WeakPolarHBondContact CG2-ND1 3.44Å; I136-F210 HydrophobicContact CB-CD1 3.8Å; I136-F210 HydrophobicContact CB-CE1 4.1Å; I136-F210 HydrophobicContact CG1-CD1 3.98Å; I136-F210 HydrophobicContact CG1-CE1 3.73Å; I136-F210 HydrophobicContact CG2-CD1 4.05Å; I136-F210 HydrophobicContact CG2-CG 4.39Å
137V98.3Very high97.8Very high0 Ų025.1 Ų25.10%012%0.116CC..Hα-helixtrans-88.6-58.6-170.8-176.40000112.5N3 Y4 F5 G133 F134 F210 V211 V214N3-V137 PolarHBondContact OD1-O 2.93Å; Y4-V137 WeakPolarHBondContact CB-O 3.34Å; Y4-V137 PolarHBondContact N-O 3.14Å; F5-V137 HydrophobicContact CB-CG1 4.02Å; G133-V137 PolarHBondContact O-N 3.45Å; F134-V137 PolarHBondContact O-N 3.45Å; V137-F210 HydrophobicContact CG2-CB 3.8Å; V137-V211 HydrophobicContact CG1-CG2 4.22Å; V137-V211 HydrophobicContact CG2-CG2 4.24Å; V137-V214 HydrophobicContact CB-CB 4.26Å; V137-V214 HydrophobicContact CB-CG1 4.22Å; V137-V214 HydrophobicContact CB-CG2 4.06Å; V137-V214 HydrophobicContact CG1-CB 4.42Å; V137-V214 HydrophobicContact CG1-CG1 4.28Å; V137-V214 HydrophobicContact CG2-CB 4.28Å; V137-V214 HydrophobicContact CG2-CG2 3.85Å
138E97.7Very high97.8Very high6 Ų625.1 Ų25.13%0.02812%0.115CC..THydrogen-bonded Turntrans-80.6-45.5-172.2-60.9-50.9131.400112.2N3 F134 V214 K215 L218 S313N3-E138 WeakPolarHBondContact CA-O 3.15Å; N3-E138 WeakPolarHBondContact ND2-CA 3.29Å; N3-E138 PolarHBondContact ND2-O 3.12Å; N3-E138 PolarHBondContact ND2-OE2 3.47Å; F134-E138 HydrophobicContact CD1-CB 4.19Å; F134-E138 HydrophobicContact CD2-CB 3.96Å; F134-E138 HydrophobicContact CD2-CG 3.65Å; F134-E138 HydrophobicContact CE1-CB 3.98Å; F134-E138 HydrophobicContact CE2-CB 3.76Å; F134-E138 HydrophobicContact CE2-CG 3.6Å; F134-E138 HydrophobicContact CG-CB 4.16Å; F134-E138 HydrophobicContact CG-CG 4.22Å; F134-E138 HydrophobicContact CZ-CB 3.74Å; F134-E138 HydrophobicContact CZ-CG 4.13Å; F134-E138 WeakPolarHBondContact O-CA 3.49Å; F134-E138 WeakPolarHBondContact O-CB 3.48Å; F134-E138 PolarHBondContact O-N 2.87Å; E138-V214 HydrophobicContact CG-CG1 3.84Å; E138-V214 WeakPolarHBondContact OE1-CG1 3.35Å; E138-K215 VanDerWaalsContact OE1-CE 3.24Å; E138-K215 WeakPolarHBondContact OE1-CE 3.47Å; E138-K215 IonicContact OE1-NZ 3.55Å; E138-K215 PolarHBondContact OE1-NZ 3.19Å; E138-K215 IonicContact OE2-NZ 3.34Å; E138-K215 PolarHBondContact OE2-NZ 3.21Å; E138-L218 HydrophobicContact CG-CD1 4.26Å; E138-S313 WeakPolarHBondContact OE2-CB 3.43Å; E138-S313 PolarHBondContact OE2-OG 3.23Å
139V97.3Very high97.8Very high10 Ų1025 Ų256%0.06111%0.114CC..SBendtrans-74-34.2177-1800000111.1M1 F134 N135 M317M1-V139 WeakPolarHBondContact CB-O 3.38Å; F134-V139 HydrophobicContact CD1-CG2 3.88Å; F134-V139 HydrophobicContact CE1-CG2 3.75Å; F134-V139 PolarHBondContact O-N 3.03Å; N135-V139 WeakPolarHBondContact O-CB 3.24Å; V139-M317 HydrophobicContact CB-CE 4.48Å; V139-M317 HydrophobicContact CG1-CE 4.3Å; V139-M317 HydrophobicContact CG2-CE 3.89Å; V139-M317 HydrophobicContact CG2-SD 4.01Å
140G97.3Very high97.8Very high1 Ų125 Ų251%0.0111%0.114CC..  trans69.837.3-174.600000113A2 N135 I136 Q142A2-G140 WeakPolarHBondContact O-CA 3.2Å; N135-G140 PolarHBondContact O-N 2.87Å; I136-G140 WeakPolarHBondContact O-CA 3.31Å; G140-Q142 PolarHBondContact O-N 2.86Å; G140-Q142 PolarHBondContact O-NE2 2.83Å; G140-Q142 VanDerWaalsContact O-NE2 3.12Å
141E97.9Very high97.8Very high10 Ų1025 Ų255%0.04711%0.114CC..PPolyproline II helixtrans-59.5132.8179.2-164.368.1-134.500110.5S112 V115 R116 N135 I143S112-E141 WeakPolarHBondContact CB-OE2 3.32Å; S112-E141 PolarHBondContact OG-OE2 3.37Å; V115-E141 HydrophobicContact CG1-CG 3.92Å; R116-E141 WeakPolarHBondContact CG-OE1 3.2Å; R116-E141 IonicContact CZ-OE1 2.82Å; R116-E141 IonicContact CZ-OE2 2.66Å; R116-E141 IonicContact NE-OE1 2.74Å; R116-E141 PolarHBondContact NE-OE1 2.91Å; R116-E141 IonicContact NE-OE2 3.58Å; R116-E141 PolarHBondContact NE-OE2 2.9Å; R116-E141 IonicContact NH2-OE1 3.52Å; R116-E141 PolarHBondContact NH2-OE1 3.2Å; R116-E141 IonicContact NH2-OE2 2.77Å; R116-E141 PolarHBondContact NH2-OE2 3.12Å; N135-E141 VanDerWaalsContact ND2-CB 3.29Å; N135-E141 WeakPolarHBondContact ND2-CB 3.19Å; N135-E141 WeakPolarHBondContact ND2-CG 3.23Å; N135-E141 VanDerWaalsContact O-CB 3.29Å; N135-E141 WeakPolarHBondContact O-CB 3.41Å; N135-E141 PolarHBondContact O-N 3Å; E141-I143 HydrophobicContact CG-CD1 4.31Å
142Q97.8Very high97.9Very high138 Ų13824 Ų2465%0.64511%0.108SC*.PPolyproline II helixtrans-90.3121.7-177.5-61.2-63.4-54.300109.5Q119 G140Q119-Q142 PolarHBondContact NE2-O 2.66Å; Q119-Q142 VanDerWaalsContact NE2-O 3.12Å; G140-Q142 PolarHBondContact O-N 2.86Å; G140-Q142 PolarHBondContact O-NE2 2.83Å; G140-Q142 VanDerWaalsContact O-NE2 3.12Å
143I98.5Very high98Very high15 Ų1523.2 Ų23.28%0.07711%0.105CC..PPolyproline II helixtrans-101.3137.2178.6-49.7-55.4000109.9V115 Q119 L128 I136 E141 K145 I147 V149 N181V115-I143 HydrophobicContact CG1-CD1 3.56Å; Q119-I143 VanDerWaalsContact OE1-CA 3.24Å; L128-I143 HydrophobicContact CD2-CD1 3.85Å; L128-I143 HydrophobicContact CD2-CG1 4.43Å; L128-I143 HydrophobicContact CD2-CG2 4.35Å; I136-I143 HydrophobicContact CD1-CD1 4.08Å; I136-I143 HydrophobicContact CD1-CG1 3.69Å; E141-I143 HydrophobicContact CG-CD1 4.31Å; I143-K145 PolarHBondContact O-N 3.33Å; I143-I147 HydrophobicContact CG2-CB 3.82Å; I143-I147 HydrophobicContact CG2-CD1 4.3Å; I143-I147 HydrophobicContact CG2-CG2 3.77Å; I143-V149 HydrophobicContact CB-CG2 3.95Å; I143-V149 HydrophobicContact CG1-CG2 3.92Å; I143-V149 HydrophobicContact CG2-CG2 3.52Å; I143-N181 PolarHBondContact O-ND2 3.47Å
144R98.4Very high98Very high88 Ų8823.8 Ų23.833%0.33211%0.108SC..PPolyproline II helixtrans-50.6133.2176.6-152.9178.765-163.1-3.4109.9M122 K123 D146 I147 N181M122-R144 PolarHBondContact O-NH1 2.98Å; M122-R144 PolarHBondContact O-NH2 3.47Å; K123-R144 PolarHBondContact O-NH2 3.21Å; K123-R144 VanDerWaalsContact O-NH2 3.14Å; R144-D146 WeakPolarHBondContact CD-OD1 3.33Å; R144-D146 WeakPolarHBondContact CG-OD1 3.3Å; R144-D146 IonicContact CZ-OD1 2.72Å; R144-D146 IonicContact CZ-OD2 2.84Å; R144-D146 IonicContact NE-OD1 3.92Å; R144-D146 PolarHBondContact NE-OD1 3.33Å; R144-D146 IonicContact NE-OD2 3.74Å; R144-D146 PolarHBondContact NE-OD2 3.41Å; R144-D146 IonicContact NH2-OD1 2.92Å; R144-D146 IonicContact NH2-OD2 3.81Å; R144-D146 PolarHBondContact NH2-OD2 2.77Å; R144-D146 PolarHBondContact O-N 3.38Å; R144-D146 VanDerWaalsContact O-N 3.13Å; R144-I147 HydrophobicContact CB-CD1 3.8Å; R144-I147 HydrophobicContact CB-CG1 4.19Å; R144-I147 WeakPolarHBondContact O-CB 3.23Å; R144-I147 PolarHBondContact O-N 2.85Å; R144-N181 PolarHBondContact O-ND2 2.81Å
145K98.5Very high97.7Very high183 Ų18324 Ų2480%0.79611%0.109SC*.THydrogen-bonded Turntrans-61.7-24.9-167.1-70.1-174.1174.7-175.80115.4I143 I147I143-K145 PolarHBondContact O-N 3.33Å; K145-I147 VanDerWaalsContact C-N 3.33Å
146D98.7Very high97.1Very high31 Ų3124.7 Ų24.717%0.16611%0.114CC..THydrogen-bonded Turntrans-79.9-15176.962.6-70.2000112.9D124 G125 R144 P183D124-D146 WeakPolarHBondContact CA-OD2 3.47Å; G125-D146 VanDerWaalsContact CA-O 3.3Å; G125-D146 WeakPolarHBondContact CA-O 3.3Å; G125-D146 PolarHBondContact N-OD2 3.38Å; R144-D146 WeakPolarHBondContact CD-OD1 3.33Å; R144-D146 WeakPolarHBondContact CG-OD1 3.3Å; R144-D146 IonicContact CZ-OD1 2.72Å; R144-D146 IonicContact CZ-OD2 2.84Å; R144-D146 IonicContact NE-OD1 3.92Å; R144-D146 PolarHBondContact NE-OD1 3.33Å; R144-D146 IonicContact NE-OD2 3.74Å; R144-D146 PolarHBondContact NE-OD2 3.41Å; R144-D146 IonicContact NH2-OD1 2.92Å; R144-D146 IonicContact NH2-OD2 3.81Å; R144-D146 PolarHBondContact NH2-OD2 2.77Å; R144-D146 PolarHBondContact O-N 3.38Å; R144-D146 VanDerWaalsContact O-N 3.13Å; D146-P183 WeakPolarHBondContact O-CG 3.41Å
147I98.9Very high96.4Very high0 Ų026.8 Ų26.80%013%0.128CC..SBendtrans-83.3128.7-178.3-63.9173000109.8Q119 M122 A126 L128 I143 R144 K145 V149 N181Q119-I147 HydrophobicContact CG-CD1 4.3Å; M122-I147 HydrophobicContact CB-CD1 4.19Å; M122-I147 HydrophobicContact CE-CD1 3.93Å; M122-I147 HydrophobicContact CE-CG1 4.23Å; M122-I147 HydrophobicContact CE-CG2 3.82Å; M122-I147 HydrophobicContact SD-CD1 3.92Å; A126-I147 VanDerWaalsContact O-CA 3.3Å; A126-I147 WeakPolarHBondContact O-CA 3.4Å; L128-I147 HydrophobicContact CB-CG2 3.76Å; I143-I147 HydrophobicContact CG2-CB 3.82Å; I143-I147 HydrophobicContact CG2-CD1 4.3Å; I143-I147 HydrophobicContact CG2-CG2 3.77Å; R144-I147 HydrophobicContact CB-CD1 3.8Å; R144-I147 HydrophobicContact CB-CG1 4.19Å; R144-I147 WeakPolarHBondContact O-CB 3.23Å; R144-I147 PolarHBondContact O-N 2.85Å; K145-I147 VanDerWaalsContact C-N 3.33Å; I147-V149 HydrophobicContact CG2-CG2 4.34Å; I147-N181 WeakPolarHBondContact O-CB 3.5Å; I147-N181 PolarHBondContact O-ND2 2.96Å; I147-N181 VanDerWaalsContact O-ND2 3.15Å
148T98.9Very high95.9Very high0 Ų026.9 Ų26.90%013%0.129CC..EExtended strand (participates in β ladder)trans-79.6129.1170.9-580000109.8A126 A127 L128 V150 N181 E186 I190A126-T148 PolarHBondContact O-N 2.89Å; A126-T148 VanDerWaalsContact O-N 3.11Å; A127-T148 CarbonylContact C-O 3.44Å; A127-T148 WeakPolarHBondContact CA-O 3.31Å; L128-T148 PolarHBondContact N-O 3.42Å; T148-V150 HydrophobicContact CG2-CG1 4.11Å; T148-N181 CarbonylContact C-O 3.46Å; T148-N181 VanDerWaalsContact CA-O 3.24Å; T148-N181 WeakPolarHBondContact CA-O 3.31Å; T148-E186 HydrophobicContact CG2-CG 4.38Å; T148-I190 HydrophobicContact CG2-CD1 4.44Å
149V98.9Very high95.3Very high0 Ų030.7 Ų30.70%015%0.153CC..EExtended strand (participates in β ladder)trans-114.2121.6-177.61770000110.6L128 Y130 I136 I143 I147 H178 N181 F210L128-V149 HydrophobicContact CB-CG2 4.37Å; L128-V149 WeakPolarHBondContact O-CA 3.32Å; Y130-V149 HydrophobicContact CD2-CG1 4.28Å; Y130-V149 HydrophobicContact CE2-CG1 4.16Å; I136-V149 HydrophobicContact CD1-CG1 4.16Å; I136-V149 HydrophobicContact CG1-CG1 4.27Å; I143-V149 HydrophobicContact CB-CG2 3.95Å; I143-V149 HydrophobicContact CG1-CG2 3.92Å; I143-V149 HydrophobicContact CG2-CG2 3.52Å; I147-V149 HydrophobicContact CG2-CG2 4.34Å; V149-H178 HydrophobicContact CB-CB 3.97Å; V149-H178 HydrophobicContact CG1-CB 3.89Å; V149-H178 PolarHBondContact O-N 2.62Å; V149-N181 HydrophobicContact CB-CB 3.66Å; V149-N181 HydrophobicContact CG2-CB 3.48Å; V149-N181 VanDerWaalsContact CG2-CB 3.48Å; V149-N181 PolarHBondContact N-O 3.45Å; V149-F210 HydrophobicContact CG1-CE1 4.31Å; V149-F210 HydrophobicContact CG1-CE2 4.25Å; V149-F210 HydrophobicContact CG1-CZ 3.67Å
150V98.9Very high94.8Very high0 Ų032.9 Ų32.90%016%0.162CC..EExtended strand (participates in β ladder)trans-130.5159.9-175.9-59.10000111.4L101 L128 G129 Y130 T148 A176 V177 G187 I190 A191 W194L101-V150 HydrophobicContact CD1-CG2 4.39Å; L128-V150 PolarHBondContact O-N 3Å; G129-V150 CarbonylContact C-O 3.56Å; G129-V150 VanDerWaalsContact CA-O 3.31Å; G129-V150 WeakPolarHBondContact CA-O 3.45Å; Y130-V150 PolarHBondContact N-O 2.96Å; T148-V150 HydrophobicContact CG2-CG1 4.11Å; V150-A176 CarbonylContact C-O 3.46Å; V150-A176 WeakPolarHBondContact CA-O 3.35Å; V150-V177 HydrophobicContact CG1-CG2 4.36Å; V150-G187 VanDerWaalsContact CG1-O 3.29Å; V150-G187 WeakPolarHBondContact CG1-O 3.43Å; V150-I190 HydrophobicContact CG1-CB 4.41Å; V150-I190 HydrophobicContact CG1-CG2 4.44Å; V150-I190 HydrophobicContact CG2-CG2 3.93Å; V150-A191 HydrophobicContact CB-CB 4.18Å; V150-A191 HydrophobicContact CG1-CB 4.42Å; V150-W194 HydrophobicContact CG2-CE3 4.3Å; V150-W194 HydrophobicContact CG2-CZ3 4.33Å
151M98.8Very high94.6Very high0 Ų033 Ų330%016%0.162CC..EExtended strand (participates in β ladder)trans-131.9141.5172.8174.316068.800111.2Y130 G133 A153 L174 I175 A176 F210 E213Y130-M151 WeakPolarHBondContact O-CA 3.32Å; Y130-M151 WeakPolarHBondContact O-CG 3.35Å; G133-M151 PolarHBondContact N-SD 3.12Å; G133-M151 VanDerWaalsContact N-SD 3.41Å; M151-A153 HydrophobicContact CG-CB 4.22Å; M151-A153 HydrophobicContact SD-CB 4.48Å; M151-L174 HydrophobicContact CE-CD2 4.01Å; M151-I175 CarbonylContact O-C 3.16Å; M151-I175 VanDerWaalsContact O-CA 3.26Å; M151-I175 WeakPolarHBondContact O-CA 3.48Å; M151-A176 HydrophobicContact CB-CB 4.23Å; M151-A176 HydrophobicContact CE-CB 4.02Å; M151-A176 PolarHBondContact N-O 2.87Å; M151-A176 PolarHBondContact O-N 3.4Å; M151-F210 HydrophobicContact CB-CD2 4.43Å; M151-F210 HydrophobicContact CB-CE1 3.95Å; M151-F210 HydrophobicContact CB-CE2 3.79Å; M151-F210 HydrophobicContact CB-CZ 3.53Å; M151-F210 HydrophobicContact CE-CB 4.44Å; M151-F210 HydrophobicContact CE-CD1 4.14Å; M151-F210 HydrophobicContact CE-CD2 4.47Å; M151-F210 HydrophobicContact CE-CG 4.1Å; M151-F210 HydrophobicContact SD-CD1 4.31Å; M151-F210 HydrophobicContact SD-CE1 4.28Å; M151-E213 HydrophobicContact CE-CB 3.48Å; M151-E213 VanDerWaalsContact CE-CB 3.48Å; M151-E213 HydrophobicContact CE-CG 3.63Å; M151-E213 VanDerWaalsContact CE-OE2 3.32Å; M151-E213 WeakPolarHBondContact CE-OE2 3.47Å; M151-E213 HydrophobicContact SD-CG 4.21Å; M151-E213 VanDerWaalsContact SD-OE2 3.39Å
152V98.7Very high94.5Very high0 Ų034.2 Ų34.20%017%0.167CC..EExtended strand (participates in β ladder)trans-134.5108.7167.7177.10000106.9Y130 S131 P154 T173 L174 I175 A191 W194 A195Y130-V152 PolarHBondContact O-N 3.32Å; S131-V152 VanDerWaalsContact CA-O 3.31Å; S131-V152 WeakPolarHBondContact CA-O 3.22Å; S131-V152 VanDerWaalsContact CB-O 3.31Å; S131-V152 WeakPolarHBondContact CB-O 3.46Å; S131-V152 PolarHBondContact OG-O 3.33Å; V152-P154 WeakPolarHBondContact O-CD 3.36Å; V152-T173 HydrophobicContact CG1-CG2 3.53Å; V152-L174 CarbonylContact C-O 3.58Å; V152-L174 WeakPolarHBondContact CA-O 3.36Å; V152-I175 HydrophobicContact CG1-CG2 4.41Å; V152-I175 HydrophobicContact CG2-CG2 3.96Å; V152-A191 HydrophobicContact CG2-CB 4.39Å; V152-A191 WeakPolarHBondContact CG2-O 3.17Å; V152-W194 HydrophobicContact CB-CD2 3.56Å; V152-W194 HydrophobicContact CB-CE3 3.62Å; V152-W194 HydrophobicContact CB-CG 4.13Å; V152-W194 HydrophobicContact CB-CH2 3.92Å; V152-W194 HydrophobicContact CB-CZ2 3.9Å; V152-W194 HydrophobicContact CB-CZ3 3.79Å; V152-W194 HydrophobicContact CG1-CD2 4.25Å; V152-W194 HydrophobicContact CG1-CG 4.4Å; V152-W194 HydrophobicContact CG2-CB 3.93Å; V152-W194 HydrophobicContact CG2-CD2 3.39Å; V152-W194 HydrophobicContact CG2-CE3 3.25Å; V152-W194 HydrophobicContact CG2-CG 3.73Å; V152-W194 HydrophobicContact CG2-CH2 4.44Å; V152-W194 HydrophobicContact CG2-CZ3 3.82Å; V152-A195 HydrophobicContact CG1-CB 3.87Å; V152-A195 HydrophobicContact CG2-CB 4.33Å
153A96.9Very high94.3Very high3 Ų331.5 Ų31.53%0.02515%0.154CC..EExtended strand (participates in β ladder)trans-115.495.5-173.300000110S131 M151 L174 E213S131-A153 VanDerWaalsContact O-CB 3.24Å; S131-A153 WeakPolarHBondContact O-CB 3.39Å; M151-A153 HydrophobicContact CG-CB 4.22Å; M151-A153 HydrophobicContact SD-CB 4.48Å; A153-L174 HydrophobicContact CB-CB 4.35Å; A153-L174 PolarHBondContact N-O 2.65Å; A153-L174 PolarHBondContact O-N 2.76Å; A153-E213 HydrophobicContact CB-CG 4.32Å
154P94.7Very high93.9Very high12 Ų1231.9 Ų31.98%0.07816%0.155CC..EExtended strand (participates in β ladder)trans-64.9133171.7-17.430.9000110.8V152 C156 V161 V171V152-P154 WeakPolarHBondContact O-CD 3.36Å; P154-C156 PolarHBondContact O-N 2.88Å; P154-V161 HydrophobicContact CB-CG2 3.73Å; P154-V161 HydrophobicContact CG-CG2 4.31Å; P154-V171 HydrophobicContact CB-CG2 3.72Å
155K91.5Very high93.8Very high5 Ų528.8 Ų28.82%0.02214%0.144CC..SBendtrans-87.244.4-177.8-58-53.2-173.5173.20113.4P172 E389K155-P172 PolarHBondContact N-O 3.25Å; K155-E389 VanDerWaalsContact CE-OE1 3.22Å; K155-E389 WeakPolarHBondContact CE-OE1 3.45Å; K155-E389 VanDerWaalsContact CE-OE2 3.3Å; K155-E389 WeakPolarHBondContact CE-OE2 3.47Å; K155-E389 IonicContact NZ-OE1 2.86Å; K155-E389 PolarHBondContact NZ-OE1 3.37Å; K155-E389 IonicContact NZ-OE2 3.22Å; K155-E389 PolarHBondContact NZ-OE2 2.81Å
156C83.8Confident93.7Very high14 Ų1425.7 Ų25.710%0.09513%0.131CC..SBendtrans-157.7155.9179.2-74.30000110.8Q48 P154 E160 V161 V171 L396Q48-C156 PolarHBondContact NE2-O 3.17Å; P154-C156 PolarHBondContact O-N 2.88Å; C156-E160 HydrophobicContact CB-CB 4Å; C156-E160 HydrophobicContact CB-CG 4.45Å; C156-V161 HydrophobicContact CB-CG2 4.39Å; C156-V171 HydrophobicContact CB-CB 4.24Å; C156-V171 HydrophobicContact CB-CG1 3.99Å; C156-V171 HydrophobicContact CB-CG2 4.44Å; C156-L396 HydrophobicContact CB-CD1 4.15Å; C156-L396 VanDerWaalsContact SG-CD1 3.53Å
157P83.7Confident93.3Very high47 Ų4730.7 Ų30.731%0.30515%0.147SC..  trans-55.9146.2165.8-2332.8000112.2T159 E160 V161P157-T159 PolarHBondContact O-N 3.14Å; P157-E160 PolarHBondContact O-N 3.08Å; P157-V161 PolarHBondContact O-N 3.35Å
158G88.1Confident92.9Very high2 Ų232.4 Ų32.42%0.02116%0.164CC..Hα-helixtrans-54.6-31.1-175.500000114.6N51 E160 V161 R162N51-G158 WeakPolarHBondContact CB-O 3.21Å; N51-G158 VanDerWaalsContact ND2-C 3.32Å; N51-G158 PolarHBondContact ND2-O 3.41Å; G158-E160 PolarHBondContact O-N 2.88Å; G158-V161 WeakPolarHBondContact O-CB 3.43Å; G158-V161 PolarHBondContact O-N 3.27Å; G158-R162 PolarHBondContact O-N 2.98Å
159T85.3Confident92.6Very high86 Ų8633.5 Ų33.553%0.52817%0.169SC..Hα-helixtrans-62.9-41.5175.748.10000112.5P157 R162 E163P157-T159 PolarHBondContact O-N 3.14Å; T159-R162 PolarHBondContact O-N 2.9Å; T159-E163 WeakPolarHBondContact O-CG 3.46Å; T159-E163 PolarHBondContact O-N 3.27Å
160E86.7Confident92.3Very high56 Ų5633.5 Ų33.526%0.26217%0.17SC..Hα-helixtrans-70.4-36.6178.5-157.967.9-165.600110.8C156 P157 G158 R162 E163 E164 L396C156-E160 HydrophobicContact CB-CB 4Å; C156-E160 HydrophobicContact CB-CG 4.45Å; P157-E160 PolarHBondContact O-N 3.08Å; G158-E160 PolarHBondContact O-N 2.88Å; E160-R162 PolarHBondContact O-N 3.12Å; E160-E163 PolarHBondContact O-N 2.98Å; E160-E164 HydrophobicContact CG-CG 4.27Å; E160-E164 WeakPolarHBondContact O-CB 3.27Å; E160-E164 PolarHBondContact O-N 3.49Å; E160-L396 HydrophobicContact CG-CD2 4.48Å
161V93.8Very high92Very high2 Ų233.8 Ų33.81%0.01217%0.171CC..Hα-helixtrans-53.4-42172-178.10000110.6N55 P154 C156 P157 G158 Y165 V171N55-V161 PolarHBondContact ND2-O 2.92Å; P154-V161 HydrophobicContact CB-CG2 3.73Å; P154-V161 HydrophobicContact CG-CG2 4.31Å; C156-V161 HydrophobicContact CB-CG2 4.39Å; P157-V161 PolarHBondContact O-N 3.35Å; G158-V161 WeakPolarHBondContact O-CB 3.43Å; G158-V161 PolarHBondContact O-N 3.27Å; V161-Y165 VanDerWaalsContact O-CB 3.29Å; V161-Y165 WeakPolarHBondContact O-CB 3.44Å; V161-Y165 PolarHBondContact O-N 3.44Å; V161-V171 HydrophobicContact CB-CG2 4.42Å; V161-V171 HydrophobicContact CG1-CG2 4.38Å; V161-V171 HydrophobicContact CG2-CG2 3.89Å
162R95.9Very high91.7Very high37 Ų3734.2 Ų34.214%0.1417%0.174CC..Hα-helixtrans-74.9-44.5177.6179.856.2179.1170.92112.7N51 L54 N55 D58 G158 T159 E160 Y165 K166N51-R162 HydrophobicContact CB-CB 3.93Å; N51-R162 WeakPolarHBondContact OD1-CB 3.33Å; L54-R162 HydrophobicContact CD1-CG 4.45Å; N55-R162 WeakPolarHBondContact OD1-CD 3.47Å; N55-R162 PolarHBondContact OD1-NH1 3.35Å; D58-R162 IonicContact OD2-CZ 3.73Å; D58-R162 VanDerWaalsContact OD2-CZ 3.22Å; D58-R162 IonicContact OD2-NH1 3.96Å; D58-R162 PolarHBondContact OD2-NH1 2.96Å; D58-R162 IonicContact OD2-NH2 3.34Å; D58-R162 PolarHBondContact OD2-NH2 2.79Å; G158-R162 PolarHBondContact O-N 2.98Å; T159-R162 PolarHBondContact O-N 2.9Å; E160-R162 PolarHBondContact O-N 3.12Å; R162-Y165 PolarHBondContact O-N 2.95Å; R162-K166 HydrophobicContact CG-CD 3.94Å; R162-K166 HydrophobicContact CG-CG 4.46Å; R162-K166 WeakPolarHBondContact O-CG 3.41Å; R162-K166 PolarHBondContact O-N 3.03Å
163E92.7Very high91.6Very high81 Ų8134.2 Ų34.238%0.37917%0.174SC..Hα-helixtrans-68.8-36.2-175.8-72.2-54.4136.900113.2T159 E160 K166 R167T159-E163 WeakPolarHBondContact O-CG 3.46Å; T159-E163 PolarHBondContact O-N 3.27Å; E160-E163 PolarHBondContact O-N 2.98Å; E163-K166 IonicContact OE1-NZ 3.43Å; E163-K166 PolarHBondContact OE1-NZ 3.24Å; E163-K166 IonicContact OE2-NZ 3.49Å; E163-K166 PolarHBondContact OE2-NZ 2.77Å; E163-R167 WeakPolarHBondContact O-CG 3.14Å; E163-R167 PolarHBondContact O-NE 3.5Å; E163-R167 VanDerWaalsContact O-NE 3.11Å
164E90.8Very high91.6Very high23 Ų2334.3 Ų34.311%0.10717%0.174CC..Hα-helixtrans-70.6-36.4172.8-67.7-62.6161.700111.7E160 R167 F169 G170 V171E160-E164 HydrophobicContact CG-CG 4.27Å; E160-E164 WeakPolarHBondContact O-CB 3.27Å; E160-E164 PolarHBondContact O-N 3.49Å; E164-R167 WeakPolarHBondContact O-CG 3.29Å; E164-R167 PolarHBondContact O-N 2.73Å; E164-R167 IonicContact OE1-CZ 3.22Å; E164-R167 IonicContact OE1-NE 2.63Å; E164-R167 IonicContact OE1-NH1 2.76Å; E164-R167 PolarHBondContact OE1-NH1 3.2Å; E164-R167 IonicContact OE1-NH2 2.63Å; E164-R167 PolarHBondContact OE1-NH2 3.02Å; E164-R167 WeakPolarHBondContact OE2-CD 3.39Å; E164-R167 IonicContact OE2-CZ 3.85Å; E164-R167 IonicContact OE2-NE 3.63Å; E164-R167 PolarHBondContact OE2-NE 3.46Å; E164-R167 IonicContact OE2-NH1 3.48Å; E164-R167 PolarHBondContact OE2-NH1 3.03Å; E164-R167 VanDerWaalsContact OE2-NH1 3.07Å; E164-F169 CarbonylContact O-C 3.59Å; E164-F169 VanDerWaalsContact O-C 3.24Å; E164-F169 WeakPolarHBondContact O-CA 3.45Å; E164-F169 PolarHBondContact O-N 2.83Å; E164-G170 WeakPolarHBondContact CB-O 3.49Å; E164-V171 HydrophobicContact CB-CG1 4.12Å; E164-V171 HydrophobicContact CG-CG1 4.06Å
165Y96Very high91.8Very high23 Ų2333.7 Ų33.79%0.0917%0.17CC..Hα-helixtrans-63.6-44.5175.7-177.3-85.3000112.7N55 D58 S59 V161 R162 R167 G168 F169 T198N55-Y165 HydrophobicContact CB-CD1 4.09Å; N55-Y165 HydrophobicContact CB-CD2 3.7Å; N55-Y165 HydrophobicContact CB-CE1 4.25Å; N55-Y165 HydrophobicContact CB-CE2 3.86Å; N55-Y165 HydrophobicContact CB-CG 3.83Å; N55-Y165 VanDerWaalsContact CG-CB 3.45Å; N55-Y165 WeakPolarHBondContact ND2-CB 3.5Å; N55-Y165 PolarHBondContact O-OH 2.67Å; N55-Y165 WeakPolarHBondContact OD1-CB 3.5Å; N55-Y165 WeakPolarHBondContact OD1-CD1 3.41Å; D58-Y165 HydrophobicContact CB-CE1 3.73Å; S59-Y165 PolarHBondContact N-OH 3.14Å; S59-Y165 PolarHBondContact OG-OH 3.2Å; V161-Y165 VanDerWaalsContact O-CB 3.29Å; V161-Y165 WeakPolarHBondContact O-CB 3.44Å; V161-Y165 PolarHBondContact O-N 3.44Å; R162-Y165 PolarHBondContact O-N 2.95Å; Y165-R167 PolarHBondContact O-N 3.48Å; Y165-G168 PolarHBondContact O-N 2.9Å; Y165-F169 WeakPolarHBondContact CA-O 3.47Å; Y165-T198 WeakPolarHBondContact CD2-O 3.4Å
166K95.2Very high92.2Very high118 Ų11833.5 Ų33.551%0.51317%0.169SC..Hα-helixtrans-59.8-30.5179.7-77.6165.263.4-150.70113.2R162 E163 G168R162-K166 HydrophobicContact CG-CD 3.94Å; R162-K166 HydrophobicContact CG-CG 4.46Å; R162-K166 WeakPolarHBondContact O-CG 3.41Å; R162-K166 PolarHBondContact O-N 3.03Å; E163-K166 IonicContact OE1-NZ 3.43Å; E163-K166 PolarHBondContact OE1-NZ 3.24Å; E163-K166 IonicContact OE2-NZ 3.49Å; E163-K166 PolarHBondContact OE2-NZ 2.77Å; K166-G168 VanDerWaalsContact C-N 3.27Å; K166-G168 PolarHBondContact O-N 3.44Å
167R91.2Very high92.9Very high136 Ų13633.7 Ų33.751%0.51317%0.17SC..THydrogen-bonded Turntrans-90.216.9177.966.7179.990.8157.31.1113.6E163 E164 Y165 F169E163-R167 WeakPolarHBondContact O-CG 3.14Å; E163-R167 PolarHBondContact O-NE 3.5Å; E163-R167 VanDerWaalsContact O-NE 3.11Å; E164-R167 WeakPolarHBondContact O-CG 3.29Å; E164-R167 PolarHBondContact O-N 2.73Å; E164-R167 IonicContact OE1-CZ 3.22Å; E164-R167 IonicContact OE1-NE 2.63Å; E164-R167 IonicContact OE1-NH1 2.76Å; E164-R167 PolarHBondContact OE1-NH1 3.2Å; E164-R167 IonicContact OE1-NH2 2.63Å; E164-R167 PolarHBondContact OE1-NH2 3.02Å; E164-R167 WeakPolarHBondContact OE2-CD 3.39Å; E164-R167 IonicContact OE2-CZ 3.85Å; E164-R167 IonicContact OE2-NE 3.63Å; E164-R167 PolarHBondContact OE2-NE 3.46Å; E164-R167 IonicContact OE2-NH1 3.48Å; E164-R167 PolarHBondContact OE2-NH1 3.03Å; E164-R167 VanDerWaalsContact OE2-NH1 3.07Å; Y165-R167 PolarHBondContact O-N 3.48Å; R167-F169 VanDerWaalsContact C-N 3.29Å; R167-F169 HydrophobicContact CG-CB 4.41Å; R167-F169 PolarHBondContact O-N 2.83Å
168G91.4Very high93.6Very high35 Ų3531.9 Ų31.936%0.36116%0.157SC..THydrogen-bonded Turntrans813.7177.300000114.7Y165 K166Y165-G168 PolarHBondContact O-N 2.9Å; K166-G168 VanDerWaalsContact C-N 3.27Å; K166-G168 PolarHBondContact O-N 3.44Å
169F92.7Very high94Very high23 Ų2335.5 Ų35.510%0.10118%0.181CC..  trans-105.1-154.2178.3-163.5-128.6000110.6E164 Y165 R167 R202 A203 M484 K485 A488E164-F169 CarbonylContact O-C 3.59Å; E164-F169 VanDerWaalsContact O-C 3.24Å; E164-F169 WeakPolarHBondContact O-CA 3.45Å; E164-F169 PolarHBondContact O-N 2.83Å; Y165-F169 WeakPolarHBondContact CA-O 3.47Å; R167-F169 VanDerWaalsContact C-N 3.29Å; R167-F169 HydrophobicContact CG-CB 4.41Å; R167-F169 PolarHBondContact O-N 2.83Å; F169-R202 HydrophobicContact CD2-CB 4.39Å; F169-R202 WeakPolarHBondContact CE2-O 3.16Å; F169-R202 WeakPolarHBondContact O-CD 3.23Å; F169-R202 PolarHBondContact O-NH1 3.08Å; F169-R202 VanDerWaalsContact O-NH1 3.14Å; F169-A203 HydrophobicContact CE1-CB 3.92Å; F169-A203 HydrophobicContact CE2-CB 4.19Å; F169-A203 HydrophobicContact CZ-CB 3.66Å; F169-M484 HydrophobicContact CE2-CB 4.28Å; F169-K485 HydrophobicContact CD2-CB 4.28Å; F169-K485 HydrophobicContact CD2-CG 4.41Å; F169-K485 HydrophobicContact CE1-CB 4.38Å; F169-K485 HydrophobicContact CE2-CB 3.72Å; F169-K485 HydrophobicContact CE2-CG 4.3Å; F169-K485 HydrophobicContact CZ-CB 3.79Å; F169-K485 HydrophobicContact CZ-CG 4.36Å; F169-A488 HydrophobicContact CD2-CB 3.8Å
170G92.7Very high94.6Very high1 Ų137.3 Ų37.31%0.0118%0.183CC..  trans-162.8-167.7176.500000110.4E164E164-G170 WeakPolarHBondContact CB-O 3.49Å
171V91.7Very high95.2Very high6 Ų635.1 Ų35.14%0.03617%0.173CC..  trans-121.3149.7175.5-60.80000110.3P154 C156 V161 E164 T173 G200 A203P154-V171 HydrophobicContact CB-CG2 3.72Å; C156-V171 HydrophobicContact CB-CB 4.24Å; C156-V171 HydrophobicContact CB-CG1 3.99Å; C156-V171 HydrophobicContact CB-CG2 4.44Å; V161-V171 HydrophobicContact CB-CG2 4.42Å; V161-V171 HydrophobicContact CG1-CG2 4.38Å; V161-V171 HydrophobicContact CG2-CG2 3.89Å; E164-V171 HydrophobicContact CB-CG1 4.12Å; E164-V171 HydrophobicContact CG-CG1 4.06Å; V171-T173 PolarHBondContact O-N 3.18Å; V171-T173 PolarHBondContact O-OG1 3.35Å; V171-G200 WeakPolarHBondContact O-CA 3.48Å; V171-A203 VanDerWaalsContact C-CB 3.43Å
172P92.9Very high95.4Very high9 Ų937.3 Ų37.36%0.05819%0.185CC..  trans-51.2136.4171.6-29.440.1000110.8K155 A203 G204 Y388 M481K155-P172 PolarHBondContact N-O 3.25Å; P172-A203 HydrophobicContact CG-CB 4.37Å; P172-G204 WeakPolarHBondContact CA-O 3.46Å; P172-Y388 HydrophobicContact CB-CD1 4.18Å; P172-Y388 HydrophobicContact CB-CE1 3.57Å; P172-Y388 HydrophobicContact CG-CE1 4.02Å; P172-M481 HydrophobicContact CG-CG 4.49Å; P172-M481 HydrophobicContact CG-SD 3.47Å; P172-M481 WeakPolarHBondContact CG-SD 3.47Å
173T96.3Very high95.5Very high0 Ų039 Ų390%020%0.2CC..EExtended strand (participates in β ladder)trans-137.7134.9-172-59.70000110.1V152 V171 I175 A195 G200 G204 V205 L206V152-T173 HydrophobicContact CG1-CG2 3.53Å; V171-T173 PolarHBondContact O-N 3.18Å; V171-T173 PolarHBondContact O-OG1 3.35Å; T173-I175 HydrophobicContact CG2-CG2 4.34Å; T173-A195 HydrophobicContact CG2-CB 4.15Å; T173-G200 WeakPolarHBondContact OG1-CA 3.29Å; T173-G204 PolarHBondContact N-O 2.8Å; T173-G204 VanDerWaalsContact N-O 3.09Å; T173-V205 CarbonylContact O-C 3.6Å; T173-V205 WeakPolarHBondContact O-CA 3.28Å; T173-L206 PolarHBondContact O-N 2.85Å
174L97.5Very high95.8Very high4 Ų440.8 Ų40.82%0.02121%0.207CC..EExtended strand (participates in β ladder)trans-95.3139.2169.8179.9156.9000109.2M151 V152 A153 A176 L206 S208 E213M151-L174 HydrophobicContact CE-CD2 4.01Å; V152-L174 CarbonylContact C-O 3.58Å; V152-L174 WeakPolarHBondContact CA-O 3.36Å; A153-L174 HydrophobicContact CB-CB 4.35Å; A153-L174 PolarHBondContact N-O 2.65Å; A153-L174 PolarHBondContact O-N 2.76Å; L174-A176 HydrophobicContact CD2-CB 4.43Å; L174-L206 WeakPolarHBondContact CA-O 3.31Å; L174-S208 VanDerWaalsContact CD1-CB 3.46Å; L174-S208 WeakPolarHBondContact CD1-OG 3.03Å; L174-E213 HydrophobicContact CD1-CB 3.81Å; L174-E213 HydrophobicContact CD1-CG 3.99Å; L174-E213 HydrophobicContact CD2-CB 3.85Å; L174-E213 HydrophobicContact CD2-CG 3.93Å
175I98.7Very high96.1Very high0 Ų042.6 Ų42.60%023%0.232CC..EExtended strand (participates in β ladder)trans-123147170.868.1174.4000111.6M23 M151 V152 T173 M188 A191 K192 A195 V205 L206 S208M23-I175 HydrophobicContact CE-CD1 4.25Å; M23-I175 HydrophobicContact SD-CD1 3.61Å; M23-I175 HydrophobicContact SD-CG1 4.14Å; M151-I175 CarbonylContact O-C 3.16Å; M151-I175 VanDerWaalsContact O-CA 3.26Å; M151-I175 WeakPolarHBondContact O-CA 3.48Å; V152-I175 HydrophobicContact CG1-CG2 4.41Å; V152-I175 HydrophobicContact CG2-CG2 3.96Å; T173-I175 HydrophobicContact CG2-CG2 4.34Å; I175-M188 HydrophobicContact CD1-SD 3.64Å; I175-M188 HydrophobicContact CG1-SD 4.32Å; I175-A191 HydrophobicContact CB-CB 4.16Å; I175-A191 HydrophobicContact CD1-CB 4.38Å; I175-K192 HydrophobicContact CD1-CG 3.71Å; I175-A195 HydrophobicContact CG2-CB 3.59Å; I175-V205 HydrophobicContact CB-CG1 4.35Å; I175-V205 HydrophobicContact CD1-CG1 3.95Å; I175-V205 HydrophobicContact CG1-CG1 3.85Å; I175-V205 HydrophobicContact CG2-CG1 3.72Å; I175-L206 PolarHBondContact N-O 3.16Å; I175-S208 PolarHBondContact O-N 3.31Å
176A98.7Very high96.3Very high0 Ų042.6 Ų42.60%023%0.233CC..EExtended strand (participates in β ladder)trans-146.9160.5175.900000112.2V150 M151 L174 S209 F210V150-A176 CarbonylContact C-O 3.46Å; V150-A176 WeakPolarHBondContact CA-O 3.35Å; M151-A176 HydrophobicContact CB-CB 4.23Å; M151-A176 HydrophobicContact CE-CB 4.02Å; M151-A176 PolarHBondContact N-O 2.87Å; M151-A176 PolarHBondContact O-N 3.4Å; L174-A176 HydrophobicContact CD2-CB 4.43Å; A176-S209 VanDerWaalsContact CB-C 3.48Å; A176-F210 HydrophobicContact CB-CD2 3.88Å; A176-F210 HydrophobicContact CB-CE2 4.23Å
177V98.8Very high96.4Very high18 Ų1837 Ų3711%0.10921%0.208CC..EExtended strand (participates in β ladder)trans-127.6130.3171.8-177.80000107V150 D182 M188V150-V177 HydrophobicContact CG1-CG2 4.36Å; V177-D182 HydrophobicContact CG1-CB 3.79Å; V177-M188 HydrophobicContact CG2-CB 4.33Å; V177-M188 HydrophobicContact CG2-CE 3.85Å; V177-M188 HydrophobicContact CG2-SD 4.49Å
178H98.6Very high96.8Very high10 Ų1032.8 Ų32.85%0.04620%0.195CC..  trans-79.4120.3178.3-176.157000109.5Y4 I136 V149 E180 N181 F210Y4-H178 AromaticContact CE1-CE1 3.85Å; Y4-H178 AromaticContact CE2-CE1 3.59Å; Y4-H178 AromaticContact CZ-CE1 3.45Å; Y4-H178 VanDerWaalsContact CZ-CE1 3.45Å; I136-H178 VanDerWaalsContact CG2-CE1 3.47Å; I136-H178 WeakPolarHBondContact CG2-CE1 3.17Å; I136-H178 WeakPolarHBondContact CG2-ND1 3.44Å; V149-H178 HydrophobicContact CB-CB 3.97Å; V149-H178 HydrophobicContact CG1-CB 3.89Å; V149-H178 PolarHBondContact O-N 2.62Å; H178-E180 VanDerWaalsContact C-N 3.28Å; H178-E180 WeakPolarHBondContact NE2-CG 3.41Å; H178-E180 PolarHBondContact O-N 3.29Å; H178-N181 PolarHBondContact CD2-OD1 3.47Å; H178-N181 CarbonylContact O-C 3.33Å; H178-N181 PolarHBondContact O-N 3.34Å; H178-F210 HydrophobicContact CB-CD2 3.84Å; H178-F210 HydrophobicContact CB-CE2 3.78Å; H178-F210 HydrophobicContact CB-CZ 4.42Å
179P97.4Very high97.1Very high78 Ų7832.6 Ų32.651%0.50619%0.19SC..G310 helixtrans-65.7-26-169.524.5-34.9000114.3N181P179-N181 PolarHBondContact O-N 3.32Å
180E97.1Very high97.4Very high124 Ų12431.8 Ų31.858%0.57919%0.187SC*.G310 helixtrans-72.6-13.5176.3-49.4-57.4149.100112.6Y4 H178Y4-E180 HydrophobicContact CE2-CG 3.94Å; H178-E180 VanDerWaalsContact C-N 3.28Å; H178-E180 WeakPolarHBondContact NE2-CG 3.41Å; H178-E180 PolarHBondContact O-N 3.29Å
181N98.5Very high97.7Very high9 Ų931.7 Ų31.75%0.04819%0.186CC..G310 helixtrans-136.959.2-170.7-74.198.3000111.3I143 R144 I147 T148 V149 H178 P179 P183I143-N181 PolarHBondContact O-ND2 3.47Å; R144-N181 PolarHBondContact O-ND2 2.81Å; I147-N181 WeakPolarHBondContact O-CB 3.5Å; I147-N181 PolarHBondContact O-ND2 2.96Å; I147-N181 VanDerWaalsContact O-ND2 3.15Å; T148-N181 CarbonylContact C-O 3.46Å; T148-N181 VanDerWaalsContact CA-O 3.24Å; T148-N181 WeakPolarHBondContact CA-O 3.31Å; V149-N181 HydrophobicContact CB-CB 3.66Å; V149-N181 HydrophobicContact CG2-CB 3.48Å; V149-N181 VanDerWaalsContact CG2-CB 3.48Å; V149-N181 PolarHBondContact N-O 3.45Å; H178-N181 PolarHBondContact CD2-OD1 3.47Å; H178-N181 CarbonylContact O-C 3.33Å; H178-N181 PolarHBondContact O-N 3.34Å; P179-N181 PolarHBondContact O-N 3.32Å; N181-P183 VanDerWaalsContact C-CD 3.49Å
182D98.5Very high98.1Very high49 Ų4933.7 Ų33.726%0.26219%0.194SC..  trans-133.258.8164.3-167.813.5000111.5V177 K184 G185 E186 G187V177-D182 HydrophobicContact CG1-CB 3.79Å; D182-K184 PolarHBondContact O-N 3.47Å; D182-K184 VanDerWaalsContact O-N 3.14Å; D182-G185 PolarHBondContact O-N 3.49Å; D182-G185 VanDerWaalsContact O-N 3.12Å; D182-G185 VanDerWaalsContact OD1-CA 3.29Å; D182-G185 WeakPolarHBondContact OD1-CA 3.24Å; D182-G185 PolarHBondContact OD1-N 2.99Å; D182-E186 PolarHBondContact OD1-N 2.85Å; D182-G187 PolarHBondContact OD1-N 3.14Å
183P98.4Very high98.4Very high72 Ų7233.4 Ų33.447%0.46819%0.193SC..THydrogen-bonded Turntrans-64.4-23.8-168.827.1-36.4000113.8D146 N181D146-P183 WeakPolarHBondContact O-CG 3.41Å; N181-P183 VanDerWaalsContact C-CD 3.49Å
184K98.3Very high98.5Very high118 Ų11833.4 Ų33.451%0.51319%0.193SC..THydrogen-bonded Turntrans-102.6-4.2-179.8-68.2169.2175.5-179.30113.2G125 D182 E186G125-K184 VanDerWaalsContact CA-NZ 3.28Å; G125-K184 PolarHBondContact O-NZ 2.8Å; D182-K184 PolarHBondContact O-N 3.47Å; D182-K184 VanDerWaalsContact O-N 3.14Å; K184-E186 HydrophobicContact CB-CG 4.06Å; K184-E186 WeakPolarHBondContact CD-OE1 3.48Å; K184-E186 IonicContact NZ-OE1 3.22Å; K184-E186 PolarHBondContact O-N 3.39Å
185G98.4Very high98.5Very high61 Ų6133.2 Ų33.263%0.62919%0.192SC*.SBendtrans63.626.8-173.900000113.5D182D182-G185 PolarHBondContact O-N 3.49Å; D182-G185 VanDerWaalsContact O-N 3.12Å; D182-G185 VanDerWaalsContact OD1-CA 3.29Å; D182-G185 WeakPolarHBondContact OD1-CA 3.24Å; D182-G185 PolarHBondContact OD1-N 2.99Å
186E98.6Very high98.5Very high24 Ų2433.4 Ų33.411%0.11219%0.193CC..  trans-104.4-5.1-177.370.6178.9146.800113.3Y34 K38 T148 D182 K184 M188 A189 I190Y34-E186 HydrophobicContact CE1-CB 4.38Å; Y34-E186 WeakPolarHBondContact OH-CB 3.32Å; Y34-E186 PolarHBondContact OH-OE2 3.43Å; K38-E186 IonicContact NZ-OE2 3.9Å; T148-E186 HydrophobicContact CG2-CG 4.38Å; D182-E186 PolarHBondContact OD1-N 2.85Å; K184-E186 HydrophobicContact CB-CG 4.06Å; K184-E186 WeakPolarHBondContact CD-OE1 3.48Å; K184-E186 IonicContact NZ-OE1 3.22Å; K184-E186 PolarHBondContact O-N 3.39Å; E186-M188 VanDerWaalsContact C-N 3.29Å; E186-M188 PolarHBondContact O-N 3.19Å; E186-A189 WeakPolarHBondContact O-CB 3.47Å; E186-A189 PolarHBondContact O-N 3.35Å; E186-I190 HydrophobicContact CG-CD1 3.77Å; E186-I190 HydrophobicContact CG-CG1 4.36Å; E186-I190 PolarHBondContact O-N 3.05Å
187G98.8Very high98.5Very high0 Ų033.4 Ų33.40%019%0.193CC..Hα-helixtrans-53.4-44.4-173.500000113.2V150 D182 A189 I190 A191V150-G187 VanDerWaalsContact CG1-O 3.29Å; V150-G187 WeakPolarHBondContact CG1-O 3.43Å; D182-G187 PolarHBondContact OD1-N 3.14Å; G187-A189 PolarHBondContact O-N 3.4Å; G187-I190 PolarHBondContact O-N 3.45Å; G187-A191 WeakPolarHBondContact O-CB 3.47Å; G187-A191 PolarHBondContact O-N 3.03Å
188M98.7Very high98.5Very high47 Ų4732.7 Ų32.723%0.23219%0.189CC..Hα-helixtrans-69.8-33.9-179.2-164.957.466.400112.5I175 V177 E186 K192 E207I175-M188 HydrophobicContact CD1-SD 3.64Å; I175-M188 HydrophobicContact CG1-SD 4.32Å; V177-M188 HydrophobicContact CG2-CB 4.33Å; V177-M188 HydrophobicContact CG2-CE 3.85Å; V177-M188 HydrophobicContact CG2-SD 4.49Å; E186-M188 VanDerWaalsContact C-N 3.29Å; E186-M188 PolarHBondContact O-N 3.19Å; M188-K192 HydrophobicContact CG-CD 4.39Å; M188-K192 HydrophobicContact CG-CG 4.31Å; M188-K192 VanDerWaalsContact O-CB 3.31Å; M188-K192 WeakPolarHBondContact O-CB 3.34Å; M188-K192 VanDerWaalsContact O-CG 3.25Å; M188-K192 WeakPolarHBondContact O-CG 3.27Å; M188-K192 PolarHBondContact O-N 2.99Å; M188-K192 HydrophobicContact SD-CG 4.32Å; M188-E207 HydrophobicContact CE-CG 3.73Å; M188-E207 HydrophobicContact SD-CG 4.37Å
189A98.7Very high98.4Very high32 Ų3232.2 Ų32.226%0.26419%0.186SC..Hα-helixtrans-66.4-41.3176.300000111.1Y34 E186 G187 A193Y34-A189 HydrophobicContact CD1-CB 3.91Å; Y34-A189 HydrophobicContact CD2-CB 3.77Å; Y34-A189 HydrophobicContact CE1-CB 3.94Å; Y34-A189 HydrophobicContact CE2-CB 3.79Å; Y34-A189 HydrophobicContact CG-CB 3.83Å; E186-A189 WeakPolarHBondContact O-CB 3.47Å; E186-A189 PolarHBondContact O-N 3.35Å; G187-A189 PolarHBondContact O-N 3.4Å; A189-A193 VanDerWaalsContact O-CB 3.28Å; A189-A193 WeakPolarHBondContact O-CB 3.49Å; A189-A193 PolarHBondContact O-N 2.83Å
190I98.9Very high98.4Very high5 Ų528.5 Ų28.53%0.02616%0.163CC..Hα-helixtrans-64.2-51175-64.1178.4000110.7Y34 L35 L101 A127 T148 V150 E186 G187 K192 A193 W194Y34-I190 HydrophobicContact CD1-CG1 3.87Å; Y34-I190 HydrophobicContact CE1-CD1 4.47Å; Y34-I190 HydrophobicContact CE1-CG1 3.62Å; L35-I190 HydrophobicContact CD2-CG2 4.39Å; L101-I190 HydrophobicContact CD1-CG2 4.1Å; L101-I190 HydrophobicContact CD2-CG2 4.08Å; A127-I190 HydrophobicContact CB-CD1 3.61Å; A127-I190 HydrophobicContact CB-CG2 4.49Å; T148-I190 HydrophobicContact CG2-CD1 4.44Å; V150-I190 HydrophobicContact CG1-CB 4.41Å; V150-I190 HydrophobicContact CG1-CG2 4.44Å; V150-I190 HydrophobicContact CG2-CG2 3.93Å; E186-I190 HydrophobicContact CG-CD1 3.77Å; E186-I190 HydrophobicContact CG-CG1 4.36Å; E186-I190 PolarHBondContact O-N 3.05Å; G187-I190 PolarHBondContact O-N 3.45Å; I190-K192 PolarHBondContact O-N 3.12Å; I190-A193 PolarHBondContact O-N 2.96Å; I190-W194 WeakPolarHBondContact O-CB 3.08Å; I190-W194 PolarHBondContact O-N 2.81Å
191A98.9Very high98.3Very high0 Ų024.7 Ų24.70%015%0.145CC..Hα-helixtrans-62.2-44-177.100000111.8V150 V152 I175 G187 W194 A195V150-A191 HydrophobicContact CB-CB 4.18Å; V150-A191 HydrophobicContact CG1-CB 4.42Å; V152-A191 HydrophobicContact CG2-CB 4.39Å; V152-A191 WeakPolarHBondContact CG2-O 3.17Å; I175-A191 HydrophobicContact CB-CB 4.16Å; I175-A191 HydrophobicContact CD1-CB 4.38Å; G187-A191 WeakPolarHBondContact O-CB 3.47Å; G187-A191 PolarHBondContact O-N 3.03Å; A191-W194 PolarHBondContact O-N 3.39Å; A191-A195 WeakPolarHBondContact O-CB 3.39Å; A191-A195 PolarHBondContact O-N 2.98Å
192K98.9Very high98.1Very high48 Ų4827.2 Ų27.221%0.20915%0.154CC..Hα-helixtrans-62.5-44.8175.3-73.2-167.9-52.6171.20112.2M23 E27 F28 I175 M188 I190 W194 A195 A196M23-K192 HydrophobicContact CE-CD 3.68Å; M23-K192 HydrophobicContact CE-CG 4.08Å; E27-K192 PolarHBondContact O-NZ 3.46Å; F28-K192 HydrophobicContact CD1-CB 4.17Å; F28-K192 HydrophobicContact CD1-CG 4.45Å; F28-K192 HydrophobicContact CE1-CB 3.82Å; F28-K192 HydrophobicContact CE1-CD 4.29Å; F28-K192 HydrophobicContact CE1-CG 3.82Å; F28-K192 HydrophobicContact CZ-CD 4.46Å; F28-K192 HydrophobicContact CZ-CG 4.17Å; I175-K192 HydrophobicContact CD1-CG 3.71Å; M188-K192 HydrophobicContact CG-CD 4.39Å; M188-K192 HydrophobicContact CG-CG 4.31Å; M188-K192 VanDerWaalsContact O-CB 3.31Å; M188-K192 WeakPolarHBondContact O-CB 3.34Å; M188-K192 VanDerWaalsContact O-CG 3.25Å; M188-K192 WeakPolarHBondContact O-CG 3.27Å; M188-K192 PolarHBondContact O-N 2.99Å; M188-K192 HydrophobicContact SD-CG 4.32Å; I190-K192 PolarHBondContact O-N 3.12Å; K192-W194 VanDerWaalsContact C-N 3.34Å; K192-W194 PolarHBondContact O-N 2.84Å; K192-A195 PolarHBondContact O-N 3.43Å; K192-A196 VanDerWaalsContact O-CB 3.28Å; K192-A196 WeakPolarHBondContact O-CB 3.33Å; K192-A196 PolarHBondContact O-N 3.31Å
193A98.9Very high97.8Very high3 Ų324.9 Ų24.93%0.02514%0.141CC..Hα-helixtrans-65.4-38.3179.700000112.3G31 L35 A189 I190 A196 A197G31-A193 WeakPolarHBondContact O-CA 3.13Å; L35-A193 HydrophobicContact CB-CB 4.37Å; L35-A193 HydrophobicContact CD1-CB 3.91Å; L35-A193 HydrophobicContact CG-CB 3.86Å; A189-A193 VanDerWaalsContact O-CB 3.28Å; A189-A193 WeakPolarHBondContact O-CB 3.49Å; A189-A193 PolarHBondContact O-N 2.83Å; I190-A193 PolarHBondContact O-N 2.96Å; A193-A196 PolarHBondContact O-N 2.56Å; A193-A197 VanDerWaalsContact O-CB 3.3Å; A193-A197 WeakPolarHBondContact O-CB 3.46Å; A193-A197 PolarHBondContact O-N 3.23Å
194W98.9Very high97.5Very high0 Ų021.6 Ų21.60%012%0.12CC..Hα-helixtrans-66.7-48.8174.3175.115.5000111.2L35 Q52 M56 I103 Y130 V150 V152 I190 A191 K192 A196 A197 T198L35-W194 HydrophobicContact CD1-CB 3.91Å; Q52-W194 VanDerWaalsContact OE1-CZ2 3.27Å; M56-W194 VanDerWaalsContact CE-CD1 3.43Å; M56-W194 HydrophobicContact CE-CG 4.07Å; I103-W194 HydrophobicContact CD1-CD2 4.07Å; I103-W194 HydrophobicContact CD1-CZ2 4.05Å; I103-W194 HydrophobicContact CG2-CH2 3.35Å; I103-W194 HydrophobicContact CG2-CZ2 3.35Å; I103-W194 HydrophobicContact CG2-CZ3 4.15Å; Y130-W194 WeakPolarHBondContact O-CH2 3.24Å; V150-W194 HydrophobicContact CG2-CE3 4.3Å; V150-W194 HydrophobicContact CG2-CZ3 4.33Å; V152-W194 HydrophobicContact CB-CD2 3.56Å; V152-W194 HydrophobicContact CB-CE3 3.62Å; V152-W194 HydrophobicContact CB-CG 4.13Å; V152-W194 HydrophobicContact CB-CH2 3.92Å; V152-W194 HydrophobicContact CB-CZ2 3.9Å; V152-W194 HydrophobicContact CB-CZ3 3.79Å; V152-W194 HydrophobicContact CG1-CD2 4.25Å; V152-W194 HydrophobicContact CG1-CG 4.4Å; V152-W194 HydrophobicContact CG2-CB 3.93Å; V152-W194 HydrophobicContact CG2-CD2 3.39Å; V152-W194 HydrophobicContact CG2-CE3 3.25Å; V152-W194 HydrophobicContact CG2-CG 3.73Å; V152-W194 HydrophobicContact CG2-CH2 4.44Å; V152-W194 HydrophobicContact CG2-CZ3 3.82Å; I190-W194 WeakPolarHBondContact O-CB 3.08Å; I190-W194 PolarHBondContact O-N 2.81Å; A191-W194 PolarHBondContact O-N 3.39Å; K192-W194 VanDerWaalsContact C-N 3.34Å; K192-W194 PolarHBondContact O-N 2.84Å; W194-A196 PolarHBondContact O-N 3.39Å; W194-A197 WeakPolarHBondContact O-CB 3.44Å; W194-A197 PolarHBondContact O-N 2.93Å; W194-A197 VanDerWaalsContact O-N 3.09Å; W194-T198 PolarHBondContact O-N 3.49Å; W194-T198 PolarHBondContact O-OG1 2.89Å
195A98.8Very high97.4Very high0 Ų016 Ų160%010%0.096CC..Hα-helixtrans-60.5-34.7175.400000112.7V152 T173 I175 A191 K192 T198 G199 G200 V205V152-A195 HydrophobicContact CG1-CB 3.87Å; V152-A195 HydrophobicContact CG2-CB 4.33Å; T173-A195 HydrophobicContact CG2-CB 4.15Å; I175-A195 HydrophobicContact CG2-CB 3.59Å; A191-A195 WeakPolarHBondContact O-CB 3.39Å; A191-A195 PolarHBondContact O-N 2.98Å; K192-A195 PolarHBondContact O-N 3.43Å; A195-T198 PolarHBondContact O-OG1 3.42Å; A195-T198 VanDerWaalsContact O-OG1 3.05Å; A195-G199 PolarHBondContact O-N 3.37Å; A195-G200 PolarHBondContact O-N 3.33Å; A195-V205 HydrophobicContact CB-CG2 4.46Å
196A98.5Very high97.3Very high3 Ų313.3 Ų13.33%0.0257%0.067CC..Hα-helixtrans-65.4-45.9173.500000111.4F28 G31 K192 A193 W194 T198 G199 H201F28-A196 HydrophobicContact CD1-CB 4.33Å; G31-A196 VanDerWaalsContact C-CB 3.44Å; G31-A196 WeakPolarHBondContact O-CB 3.17Å; K192-A196 VanDerWaalsContact O-CB 3.28Å; K192-A196 WeakPolarHBondContact O-CB 3.33Å; K192-A196 PolarHBondContact O-N 3.31Å; A193-A196 PolarHBondContact O-N 2.56Å; W194-A196 PolarHBondContact O-N 3.39Å; A196-T198 VanDerWaalsContact C-N 3.26Å; A196-T198 PolarHBondContact O-N 3.41Å; A196-G199 WeakPolarHBondContact O-CA 3.49Å; A196-G199 PolarHBondContact O-N 3.36Å; A196-H201 VanDerWaalsContact CA-ND1 3.34Å; A196-H201 WeakPolarHBondContact CA-ND1 3.49Å; A196-H201 PolarHBondContact O-CE1 2.85Å; A196-H201 PolarHBondContact O-ND1 3.08Å
197A98.6Very high97.3Very high0 Ų013.9 Ų13.90%07%0.07CC..Hα-helixtrans-65.4-24.7179.400000113.9A32 N55 M56 S59 L61 A193 W194A32-A197 HydrophobicContact CB-CB 3.79Å; N55-A197 CarbonylContact C-O 3.59Å; N55-A197 VanDerWaalsContact O-O 3.1Å; M56-A197 WeakPolarHBondContact CA-O 3.29Å; M56-A197 HydrophobicContact CB-CB 4.24Å; M56-A197 HydrophobicContact CG-CB 3.86Å; M56-A197 PolarHBondContact N-O 2.84Å; S59-A197 WeakPolarHBondContact OG-CA 3.47Å; S59-A197 PolarHBondContact OG-O 3.13Å; L61-A197 HydrophobicContact CD1-CB 4.25Å; L61-A197 HydrophobicContact CD2-CB 3.71Å; A193-A197 VanDerWaalsContact O-CB 3.3Å; A193-A197 WeakPolarHBondContact O-CB 3.46Å; A193-A197 PolarHBondContact O-N 3.23Å; W194-A197 WeakPolarHBondContact O-CB 3.44Å; W194-A197 PolarHBondContact O-N 2.93Å; W194-A197 VanDerWaalsContact O-N 3.09Å
198T98.6Very high97.2Very high3 Ų313.9 Ų13.92%0.0187%0.07CC..Hα-helixtrans-85.9-9.717259.10000113.1Q52 N55 M56 Y165 W194 A195 A196Q52-T198 HydrophobicContact CB-CG2 4.07Å; Q52-T198 HydrophobicContact CG-CG2 4.08Å; N55-T198 PolarHBondContact ND2-O 2.9Å; N55-T198 VanDerWaalsContact ND2-O 3.12Å; M56-T198 HydrophobicContact CG-CG2 3.88Å; M56-T198 HydrophobicContact SD-CG2 4.28Å; Y165-T198 WeakPolarHBondContact CD2-O 3.4Å; W194-T198 PolarHBondContact O-N 3.49Å; W194-T198 PolarHBondContact O-OG1 2.89Å; A195-T198 PolarHBondContact O-OG1 3.42Å; A195-T198 VanDerWaalsContact O-OG1 3.05Å; A196-T198 VanDerWaalsContact C-N 3.26Å; A196-T198 PolarHBondContact O-N 3.41Å
199G97Very high97.2Very high0 Ų011.8 Ų11.80%06%0.06CC..THydrogen-bonded Turntrans94.10.5-178.200000114.9A195 A196 H201 R202A195-G199 PolarHBondContact O-N 3.37Å; A196-G199 WeakPolarHBondContact O-CA 3.49Å; A196-G199 PolarHBondContact O-N 3.36Å; G199-H201 VanDerWaalsContact C-N 3.32Å; G199-H201 PolarHBondContact O-N 3.41Å; G199-R202 VanDerWaalsContact O-CB 3.24Å; G199-R202 WeakPolarHBondContact O-CB 3.41Å; G199-R202 WeakPolarHBondContact O-CG 3.31Å; G199-R202 PolarHBondContact O-N 3.46Å
200G96.6Very high97.2Very high1 Ų110.3 Ų10.31%0.015%0.047CC..G310 helixtrans-56.2-40.8-174.600000114.3V171 T173 A195 R202 A203 G204 V205V171-G200 WeakPolarHBondContact O-CA 3.48Å; T173-G200 WeakPolarHBondContact OG1-CA 3.29Å; A195-G200 PolarHBondContact O-N 3.33Å; G200-R202 PolarHBondContact O-N 3.32Å; G200-A203 PolarHBondContact O-N 3.47Å; G200-G204 PolarHBondContact O-N 3.46Å; G200-V205 VanDerWaalsContact C-CG2 3.49Å
201H96Very high97.2Very high43 Ų4310.1 Ų10.120%0.1995%0.046CC..G310 helixtrans-56.8-17.3174.772.3-58.1000114.9F28 A196 G199 V205 M484F28-H201 HydrophobicContact CB-CB 3.87Å; F28-H201 HydrophobicContact CD1-CB 3.69Å; F28-H201 HydrophobicContact CD2-CB 4.01Å; F28-H201 HydrophobicContact CE1-CB 4.24Å; F28-H201 HydrophobicContact CG-CB 3.57Å; A196-H201 VanDerWaalsContact CA-ND1 3.34Å; A196-H201 WeakPolarHBondContact CA-ND1 3.49Å; A196-H201 PolarHBondContact O-CE1 2.85Å; A196-H201 PolarHBondContact O-ND1 3.08Å; G199-H201 VanDerWaalsContact C-N 3.32Å; G199-H201 PolarHBondContact O-N 3.41Å; H201-V205 HydrophobicContact CB-CG2 4.37Å; H201-M484 WeakPolarHBondContact O-CE 3.4Å
202R93.6Very high97.1Very high63 Ų6310.1 Ų10.124%0.2385%0.046CC..G310 helixtrans-82.2-19.7176.5-58.1169-177.9165.92.2112.9F169 G199 G200 M484F169-R202 HydrophobicContact CD2-CB 4.39Å; F169-R202 WeakPolarHBondContact CE2-O 3.16Å; F169-R202 WeakPolarHBondContact O-CD 3.23Å; F169-R202 PolarHBondContact O-NH1 3.08Å; F169-R202 VanDerWaalsContact O-NH1 3.14Å; G199-R202 VanDerWaalsContact O-CB 3.24Å; G199-R202 WeakPolarHBondContact O-CB 3.41Å; G199-R202 WeakPolarHBondContact O-CG 3.31Å; G199-R202 PolarHBondContact O-N 3.46Å; G200-R202 PolarHBondContact O-N 3.32Å; R202-M484 WeakPolarHBondContact O-CB 3.23Å; R202-M484 WeakPolarHBondContact O-CE 3.23Å
203A91.4Very high97.1Very high0 Ų08 Ų80%04%0.037CC..THydrogen-bonded Turntrans-112.6-21.718000000113F169 V171 P172 G200F169-A203 HydrophobicContact CE1-CB 3.92Å; F169-A203 HydrophobicContact CE2-CB 4.19Å; F169-A203 HydrophobicContact CZ-CB 3.66Å; V171-A203 VanDerWaalsContact C-CB 3.43Å; P172-A203 HydrophobicContact CG-CB 4.37Å; G200-A203 PolarHBondContact O-N 3.47Å
204G92.1Very high97Very high2 Ų27.8 Ų7.82%0.0214%0.036CC..  trans129.6134.3-178.700000110.5P172 T173 G200P172-G204 WeakPolarHBondContact CA-O 3.46Å; T173-G204 PolarHBondContact N-O 2.8Å; T173-G204 VanDerWaalsContact N-O 3.09Å; G200-G204 PolarHBondContact O-N 3.46Å
205V96.4Very high97Very high1 Ų17.8 Ų7.81%0.0064%0.036CC..EExtended strand (participates in β ladder)trans-121.9135177.9-179.70000109.9M23 F28 T173 I175 A195 G200 H201M23-V205 WeakPolarHBondContact CB-O 3.46Å; M23-V205 WeakPolarHBondContact CG-O 3.25Å; M23-V205 PolarHBondContact N-O 3.47Å; M23-V205 HydrophobicContact SD-CB 4.35Å; M23-V205 HydrophobicContact SD-CG1 3.84Å; F28-V205 HydrophobicContact CE1-CB 4.34Å; F28-V205 HydrophobicContact CE1-CG1 4.35Å; F28-V205 HydrophobicContact CE1-CG2 4.08Å; F28-V205 HydrophobicContact CE2-CB 3.85Å; F28-V205 HydrophobicContact CE2-CG1 4.41Å; F28-V205 HydrophobicContact CE2-CG2 4.12Å; F28-V205 HydrophobicContact CZ-CB 3.44Å; F28-V205 VanDerWaalsContact CZ-CB 3.44Å; F28-V205 HydrophobicContact CZ-CG1 3.59Å; F28-V205 HydrophobicContact CZ-CG2 3.62Å; T173-V205 CarbonylContact O-C 3.6Å; T173-V205 WeakPolarHBondContact O-CA 3.28Å; I175-V205 HydrophobicContact CB-CG1 4.35Å; I175-V205 HydrophobicContact CD1-CG1 3.95Å; I175-V205 HydrophobicContact CG1-CG1 3.85Å; I175-V205 HydrophobicContact CG2-CG1 3.72Å; A195-V205 HydrophobicContact CB-CG2 4.46Å; G200-V205 VanDerWaalsContact C-CG2 3.49Å; H201-V205 HydrophobicContact CB-CG2 4.37Å
206L96Very high96.9Very high4 Ų47.8 Ų7.82%0.0214%0.036CC..EExtended strand (participates in β ladder)trans-105.6121.8175-62.2100.8000110C20 R21 F22 T173 L174 I175 S208 E384 Y388C20-L206 WeakPolarHBondContact SG-CD2 3.2Å; R21-L206 CarbonylContact O-C 3.47Å; R21-L206 WeakPolarHBondContact O-CA 3.42Å; F22-L206 HydrophobicContact CD2-CG 4.25Å; T173-L206 PolarHBondContact O-N 2.85Å; L174-L206 WeakPolarHBondContact CA-O 3.31Å; I175-L206 PolarHBondContact N-O 3.16Å; L206-S208 PolarHBondContact O-N 3.39Å; L206-E384 HydrophobicContact CD2-CB 3.86Å; L206-Y388 HydrophobicContact CD1-CD2 3.59Å; L206-Y388 HydrophobicContact CD1-CE2 3.32Å; L206-Y388 HydrophobicContact CD1-CG 4.38Å; L206-Y388 HydrophobicContact CD2-CD2 3.72Å; L206-Y388 HydrophobicContact CD2-CE2 3.6Å; L206-Y388 HydrophobicContact CG-CD2 4.31Å; L206-Y388 HydrophobicContact CG-CE2 4.02Å
207E98.2Very high96.8Very high37 Ų378.9 Ų8.917%0.1734%0.041CC..EExtended strand (participates in β ladder)trans-75114.3166.3-170.6-165159.200108.7K19 C20 R21 M23 M188K19-E207 WeakPolarHBondContact CE-OE1 3.49Å; K19-E207 IonicContact NZ-OE1 3.78Å; K19-E207 PolarHBondContact NZ-OE1 3.12Å; C20-E207 CarbonylContact C-O 3.24Å; C20-E207 VanDerWaalsContact CA-O 3.3Å; C20-E207 WeakPolarHBondContact CA-O 3.41Å; R21-E207 HydrophobicContact CB-CB 4.35Å; R21-E207 IonicContact CZ-OE2 3.58Å; R21-E207 PolarHBondContact N-O 2.71Å; R21-E207 IonicContact NE-OE2 3.28Å; R21-E207 PolarHBondContact NE-OE2 3.46Å; R21-E207 IonicContact NH2-OE2 2.98Å; R21-E207 PolarHBondContact NH2-OE2 3.36Å; R21-E207 PolarHBondContact O-N 2.7Å; M23-E207 HydrophobicContact CG-CB 3.92Å; M23-E207 HydrophobicContact SD-CB 3.87Å; M188-E207 HydrophobicContact CE-CG 3.73Å; M188-E207 HydrophobicContact SD-CG 4.37Å
208S97.4Very high96.7Very high0 Ų08.9 Ų8.90%04%0.041CC..EExtended strand (participates in β ladder)trans-131.6-161.7-176.5-171.10000111.1K19 L174 I175 L206 A212K19-S208 VanDerWaalsContact CD-O 3.28Å; K19-S208 WeakPolarHBondContact CD-O 3.39Å; K19-S208 WeakPolarHBondContact CE-O 3.48Å; K19-S208 PolarHBondContact NZ-O 2.77Å; K19-S208 VanDerWaalsContact O-CA 3.29Å; K19-S208 WeakPolarHBondContact O-CA 3.29Å; K19-S208 PolarHBondContact O-OG 3.28Å; K19-S208 VanDerWaalsContact O-OG 3.05Å; L174-S208 VanDerWaalsContact CD1-CB 3.46Å; L174-S208 WeakPolarHBondContact CD1-OG 3.03Å; I175-S208 PolarHBondContact O-N 3.31Å; L206-S208 PolarHBondContact O-N 3.39Å; S208-A212 WeakPolarHBondContact OG-CB 3.25Å
209S98.6Very high96.7Very high3 Ų38.7 Ų8.72%0.0214%0.04CC..  trans-126.5163.6172.877.80000111Q16 A176 V211 A212 E213Q16-S209 PolarHBondContact O-OG 3.34Å; A176-S209 VanDerWaalsContact CB-C 3.48Å; S209-V211 VanDerWaalsContact C-N 3.27Å; S209-V211 PolarHBondContact O-N 3.28Å; S209-V211 PolarHBondContact OG-N 2.88Å; S209-A212 PolarHBondContact O-N 2.93Å; S209-A212 WeakPolarHBondContact OG-CB 3.48Å; S209-A212 PolarHBondContact OG-N 3.3Å; S209-E213 PolarHBondContact O-N 3.35Å; S209-E213 VanDerWaalsContact O-N 3.16Å
210F98.6Very high96.8Very high1 Ų18.7 Ų8.70%0.0044%0.04CC..Hα-helixtrans-57.7-42.1170.6-86.2-101.9000111.7Y130 I136 V137 V149 M151 A176 H178 V214Y130-F210 HydrophobicContact CD2-CE1 4.13Å; Y130-F210 HydrophobicContact CD2-CZ 4.37Å; Y130-F210 HydrophobicContact CG-CE1 4.46Å; I136-F210 HydrophobicContact CB-CD1 3.8Å; I136-F210 HydrophobicContact CB-CE1 4.1Å; I136-F210 HydrophobicContact CG1-CD1 3.98Å; I136-F210 HydrophobicContact CG1-CE1 3.73Å; I136-F210 HydrophobicContact CG2-CD1 4.05Å; I136-F210 HydrophobicContact CG2-CG 4.39Å; V137-F210 HydrophobicContact CG2-CB 3.8Å; V149-F210 HydrophobicContact CG1-CE1 4.31Å; V149-F210 HydrophobicContact CG1-CE2 4.25Å; V149-F210 HydrophobicContact CG1-CZ 3.67Å; M151-F210 HydrophobicContact CB-CD2 4.43Å; M151-F210 HydrophobicContact CB-CE1 3.95Å; M151-F210 HydrophobicContact CB-CE2 3.79Å; M151-F210 HydrophobicContact CB-CZ 3.53Å; M151-F210 HydrophobicContact CE-CB 4.44Å; M151-F210 HydrophobicContact CE-CD1 4.14Å; M151-F210 HydrophobicContact CE-CD2 4.47Å; M151-F210 HydrophobicContact CE-CG 4.1Å; M151-F210 HydrophobicContact SD-CD1 4.31Å; M151-F210 HydrophobicContact SD-CE1 4.28Å; A176-F210 HydrophobicContact CB-CD2 3.88Å; A176-F210 HydrophobicContact CB-CE2 4.23Å; H178-F210 HydrophobicContact CB-CD2 3.84Å; H178-F210 HydrophobicContact CB-CE2 3.78Å; H178-F210 HydrophobicContact CB-CZ 4.42Å; F210-V214 WeakPolarHBondContact O-CB 3.23Å; F210-V214 VanDerWaalsContact O-CG2 3.24Å; F210-V214 WeakPolarHBondContact O-CG2 3.45Å; F210-V214 PolarHBondContact O-N 2.9Å; F210-V214 VanDerWaalsContact O-N 3.1Å
211V98.6Very high96.8Very high0 Ų09.4 Ų9.40%04%0.043CC..Hα-helixtrans-66.8-47.6-179.6169.30000111.5Y4 F5 Q16 L17 V137 S209 V214 K215Y4-V211 HydrophobicContact CD1-CG2 4.27Å; Y4-V211 HydrophobicContact CE1-CG2 3.95Å; F5-V211 HydrophobicContact CD2-CB 4.41Å; F5-V211 HydrophobicContact CD2-CG1 3.4Å; F5-V211 HydrophobicContact CD2-CG2 4.09Å; F5-V211 HydrophobicContact CE2-CG1 3.5Å; F5-V211 VanDerWaalsContact CE2-CG1 3.5Å; Q16-V211 HydrophobicContact CB-CB 3.72Å; Q16-V211 HydrophobicContact CB-CG1 4.12Å; Q16-V211 HydrophobicContact CB-CG2 4.01Å; L17-V211 HydrophobicContact CD2-CG1 3.87Å; L17-V211 HydrophobicContact CG-CG1 3.93Å; V137-V211 HydrophobicContact CG1-CG2 4.22Å; V137-V211 HydrophobicContact CG2-CG2 4.24Å; S209-V211 VanDerWaalsContact C-N 3.27Å; S209-V211 PolarHBondContact O-N 3.28Å; S209-V211 PolarHBondContact OG-N 2.88Å; V211-V214 PolarHBondContact O-N 3.38Å; V211-K215 HydrophobicContact CG1-CG 4.18Å; V211-K215 WeakPolarHBondContact O-CB 3.39Å; V211-K215 VanDerWaalsContact O-CG 3.22Å; V211-K215 WeakPolarHBondContact O-CG 3.09Å; V211-K215 PolarHBondContact O-N 3.43Å
212A98Very high96.9Very high0 Ų07.4 Ų7.40%03%0.034CC..Hα-helixtrans-59.2-51.2-17900000110.3Q16 S208 S209 K215 S216Q16-A212 WeakPolarHBondContact O-CB 3.3Å; S208-A212 WeakPolarHBondContact OG-CB 3.25Å; S209-A212 PolarHBondContact O-N 2.93Å; S209-A212 WeakPolarHBondContact OG-CB 3.48Å; S209-A212 PolarHBondContact OG-N 3.3Å; A212-K215 PolarHBondContact O-N 3.07Å; A212-S216 WeakPolarHBondContact O-CB 3.19Å; A212-S216 PolarHBondContact O-N 2.92Å; A212-S216 PolarHBondContact O-OG 3.29Å
213E97.4Very high97.1Very high3 Ų34.4 Ų4.41%0.0142%0.023CC..Hα-helixtrans-56.4-53.9178.4-175.7-91165.900111.9H132 G133 M151 A153 L174 S209 K215 S216 D217H132-E213 IonicContact CE1-OE1 2.7Å; H132-E213 IonicContact CG-OE1 2.67Å; H132-E213 IonicContact ND1-OE1 3.01Å; H132-E213 PolarHBondContact ND1-OE1 2.87Å; H132-E213 IonicContact ND1-OE2 2.64Å; H132-E213 PolarHBondContact ND1-OE2 3.36Å; G133-E213 PolarHBondContact N-OE2 2.91Å; M151-E213 HydrophobicContact CE-CB 3.48Å; M151-E213 VanDerWaalsContact CE-CB 3.48Å; M151-E213 HydrophobicContact CE-CG 3.63Å; M151-E213 VanDerWaalsContact CE-OE2 3.32Å; M151-E213 WeakPolarHBondContact CE-OE2 3.47Å; M151-E213 HydrophobicContact SD-CG 4.21Å; M151-E213 VanDerWaalsContact SD-OE2 3.39Å; A153-E213 HydrophobicContact CB-CG 4.32Å; L174-E213 HydrophobicContact CD1-CB 3.81Å; L174-E213 HydrophobicContact CD1-CG 3.99Å; L174-E213 HydrophobicContact CD2-CB 3.85Å; L174-E213 HydrophobicContact CD2-CG 3.93Å; S209-E213 PolarHBondContact O-N 3.35Å; S209-E213 VanDerWaalsContact O-N 3.16Å; E213-K215 PolarHBondContact O-N 3.3Å; E213-S216 PolarHBondContact O-N 3.09Å; E213-S216 PolarHBondContact O-OG 2.59Å; E213-D217 WeakPolarHBondContact O-CB 3.42Å; E213-D217 PolarHBondContact O-N 3.04Å
214V97.5Very high97.5Very high0 Ų04.4 Ų4.40%02%0.023CC..Hα-helixtrans-60.2-47.2-177.7171.70000111.9V137 E138 F210 V211 L218V137-V214 HydrophobicContact CB-CB 4.26Å; V137-V214 HydrophobicContact CB-CG1 4.22Å; V137-V214 HydrophobicContact CB-CG2 4.06Å; V137-V214 HydrophobicContact CG1-CB 4.42Å; V137-V214 HydrophobicContact CG1-CG1 4.28Å; V137-V214 HydrophobicContact CG2-CB 4.28Å; V137-V214 HydrophobicContact CG2-CG2 3.85Å; E138-V214 HydrophobicContact CG-CG1 3.84Å; E138-V214 WeakPolarHBondContact OE1-CG1 3.35Å; F210-V214 WeakPolarHBondContact O-CB 3.23Å; F210-V214 VanDerWaalsContact O-CG2 3.24Å; F210-V214 WeakPolarHBondContact O-CG2 3.45Å; F210-V214 PolarHBondContact O-N 2.9Å; F210-V214 VanDerWaalsContact O-N 3.1Å; V211-V214 PolarHBondContact O-N 3.38Å; V214-L218 HydrophobicContact CG1-CD1 3.79Å; V214-L218 HydrophobicContact CG1-CG 4.25Å; V214-L218 WeakPolarHBondContact O-CB 3.3Å; V214-L218 WeakPolarHBondContact O-CG 3.48Å; V214-L218 PolarHBondContact O-N 3.21Å
215K98.2Very high97.7Very high0 Ų04.7 Ų4.70%02%0.023CC..Hα-helixtrans-70-36.1-174.6-61.5-61-172.2-175.60111.7L17 E138 V211 A212 E213 M219 I307 I308 I381L17-K215 HydrophobicContact CD2-CB 3.88Å; L17-K215 HydrophobicContact CD2-CG 3.91Å; E138-K215 VanDerWaalsContact OE1-CE 3.24Å; E138-K215 WeakPolarHBondContact OE1-CE 3.47Å; E138-K215 IonicContact OE1-NZ 3.55Å; E138-K215 PolarHBondContact OE1-NZ 3.19Å; E138-K215 IonicContact OE2-NZ 3.34Å; E138-K215 PolarHBondContact OE2-NZ 3.21Å; V211-K215 HydrophobicContact CG1-CG 4.18Å; V211-K215 WeakPolarHBondContact O-CB 3.39Å; V211-K215 VanDerWaalsContact O-CG 3.22Å; V211-K215 WeakPolarHBondContact O-CG 3.09Å; V211-K215 PolarHBondContact O-N 3.43Å; A212-K215 PolarHBondContact O-N 3.07Å; E213-K215 PolarHBondContact O-N 3.3Å; K215-M219 WeakPolarHBondContact O-CB 3.16Å; K215-M219 PolarHBondContact O-N 3.31Å; K215-I307 HydrophobicContact CB-CG2 4.41Å; K215-I307 HydrophobicContact CD-CG2 3.69Å; K215-I307 PolarHBondContact NZ-O 2.71Å; K215-I308 HydrophobicContact CB-CD1 4.42Å; K215-I308 HydrophobicContact CD-CD1 4.33Å; K215-I308 HydrophobicContact CG-CD1 4.28Å; K215-I381 HydrophobicContact CB-CD1 4.34Å
216S97.7Very high97.8Very high0 Ų04.7 Ų4.70%02%0.024CC..Hα-helixtrans-74.4-41.8175.856.90000112.4A212 E213 M219 G220 E389A212-S216 WeakPolarHBondContact O-CB 3.19Å; A212-S216 PolarHBondContact O-N 2.92Å; A212-S216 PolarHBondContact O-OG 3.29Å; E213-S216 PolarHBondContact O-N 3.09Å; E213-S216 PolarHBondContact O-OG 2.59Å; S216-M219 PolarHBondContact O-N 3.35Å; S216-G220 PolarHBondContact O-N 3.46Å; S216-E389 VanDerWaalsContact CB-CG 3.45Å; S216-E389 WeakPolarHBondContact O-CB 3.29Å; S216-E389 WeakPolarHBondContact OG-CG 3.46Å; S216-E389 PolarHBondContact OG-OE1 3.22Å
217D96.2Very high97.9Very high25 Ų254.5 Ų4.513%0.1342%0.023CC..Hα-helixtrans-61-51.3-179.9-17882.7000110.7H132 E213 M219 G220 E221H132-D217 IonicContact CE1-OD2 3.46Å; H132-D217 PolarHBondContact CE1-OD2 3.49Å; H132-D217 IonicContact ND1-OD2 3.77Å; H132-D217 IonicContact NE2-OD2 3.37Å; E213-D217 WeakPolarHBondContact O-CB 3.42Å; E213-D217 PolarHBondContact O-N 3.04Å; D217-M219 VanDerWaalsContact C-N 3.27Å; D217-M219 PolarHBondContact O-N 2.57Å; D217-G220 PolarHBondContact O-N 2.79Å; D217-G220 VanDerWaalsContact O-N 3.16Å; D217-E221 WeakPolarHBondContact O-CG 3.39Å; D217-E221 PolarHBondContact O-N 3.04Å
218L97.5Very high97.9Very high0 Ų03 Ų30%02%0.016CC..Hα-helixtrans-56.6-39.1176-69.8-179.8000112.6F134 E138 V214 E221 Q222 I307 F312 T416F134-L218 HydrophobicContact CD2-CD2 4.43Å; E138-L218 HydrophobicContact CG-CD1 4.26Å; V214-L218 HydrophobicContact CG1-CD1 3.79Å; V214-L218 HydrophobicContact CG1-CG 4.25Å; V214-L218 WeakPolarHBondContact O-CB 3.3Å; V214-L218 WeakPolarHBondContact O-CG 3.48Å; V214-L218 PolarHBondContact O-N 3.21Å; L218-E221 WeakPolarHBondContact CD2-OE1 3.3Å; L218-Q222 WeakPolarHBondContact O-CB 3.25Å; L218-Q222 WeakPolarHBondContact O-CG 3.4Å; L218-Q222 PolarHBondContact O-N 2.67Å; L218-Q222 VanDerWaalsContact O-N 3.11Å; L218-Q222 PolarHBondContact O-NE2 3.17Å; L218-I307 HydrophobicContact CB-CD1 4.02Å; L218-I307 HydrophobicContact CB-CG1 4.19Å; L218-I307 HydrophobicContact CB-CG2 4.17Å; L218-I307 HydrophobicContact CD1-CG2 4.27Å; L218-F312 HydrophobicContact CD1-CD1 4.1Å; L218-F312 HydrophobicContact CD1-CE1 4.06Å; L218-F312 HydrophobicContact CD2-CE1 3.75Å; L218-F312 HydrophobicContact CD2-CZ 4.49Å; L218-F312 HydrophobicContact CG-CE1 4.4Å; L218-T416 HydrophobicContact CD2-CG2 3.45Å; L218-T416 VanDerWaalsContact CD2-CG2 3.45Å
219M98.6Very high98Very high0 Ų03.1 Ų3.10%02%0.016CC..Hα-helixtrans-70.9-43.6179.7-179.856.8-174.400111.3K215 S216 D217 T223 F300 H303 M304 I307 T375 M376K215-M219 WeakPolarHBondContact O-CB 3.16Å; K215-M219 PolarHBondContact O-N 3.31Å; S216-M219 PolarHBondContact O-N 3.35Å; D217-M219 VanDerWaalsContact C-N 3.27Å; D217-M219 PolarHBondContact O-N 2.57Å; M219-T223 HydrophobicContact CE-CG2 3.61Å; M219-T223 WeakPolarHBondContact O-CB 3.48Å; M219-T223 PolarHBondContact O-N 2.78Å; M219-T223 VanDerWaalsContact O-N 3.12Å; M219-T223 PolarHBondContact O-OG1 3.19Å; M219-T223 HydrophobicContact SD-CG2 3.7Å; M219-F300 HydrophobicContact CE-CB 4.23Å; M219-F300 HydrophobicContact CE-CD1 3.9Å; M219-F300 HydrophobicContact CE-CG 4.49Å; M219-H303 HydrophobicContact SD-CB 4.38Å; M219-M304 HydrophobicContact CB-SD 3.78Å; M219-M304 HydrophobicContact CE-CB 4.28Å; M219-M304 HydrophobicContact CG-SD 3.74Å; M219-M304 HydrophobicContact SD-CB 3.92Å; M219-M304 HydrophobicContact SD-SD 4.05Å; M219-I307 HydrophobicContact CB-CD1 3.93Å; M219-I307 HydrophobicContact SD-CD1 4.19Å; M219-T375 HydrophobicContact CE-CG2 4.17Å; M219-M376 HydrophobicContact CB-CG 3.93Å; M219-M376 HydrophobicContact CB-SD 4.07Å; M219-M376 HydrophobicContact CG-CG 3.51Å; M219-M376 HydrophobicContact CG-SD 4.08Å
220G97.8Very high98Very high0 Ų03 Ų30%02%0.015CC..Hα-helixtrans-56.5-55.4174.800000112.4S216 D217 T223 I224 L225 E389S216-G220 PolarHBondContact O-N 3.46Å; D217-G220 PolarHBondContact O-N 2.79Å; D217-G220 VanDerWaalsContact O-N 3.16Å; G220-T223 PolarHBondContact O-N 2.79Å; G220-I224 PolarHBondContact O-N 3.04Å; G220-L225 WeakPolarHBondContact O-CB 3.5Å; G220-L225 WeakPolarHBondContact O-CG 3.22Å; G220-L225 PolarHBondContact O-N 3.23Å; G220-E389 WeakPolarHBondContact CA-O 3.45Å
221E96.5Very high98Very high16 Ų163 Ų38%0.0752%0.015CC..Iπ-helixtrans-67-38-175.872-178.1-161.500113.2D217 L218 C226 T416 A417D217-E221 WeakPolarHBondContact O-CG 3.39Å; D217-E221 PolarHBondContact O-N 3.04Å; L218-E221 WeakPolarHBondContact CD2-OE1 3.3Å; E221-C226 WeakPolarHBondContact O-CB 3.31Å; E221-C226 PolarHBondContact O-N 3.05Å; E221-T416 WeakPolarHBondContact OE1-CG2 3.18Å; E221-A417 HydrophobicContact CB-CB 4.07Å; E221-A417 VanDerWaalsContact CD-CA 3.41Å; E221-A417 HydrophobicContact CG-CB 4.1Å; E221-A417 WeakPolarHBondContact OE1-CA 3.27Å; E221-A417 PolarHBondContact OE1-N 3.02Å; E221-A417 WeakPolarHBondContact OE2-CB 3.35Å
222Q98.6Very high98Very high1 Ų13 Ų31%0.0052%0.016CC..Iπ-helixtrans-66.5-42.4176.7-79.1178.744.900112.7L218 G227 H303 F312 G420 F424L218-Q222 WeakPolarHBondContact O-CB 3.25Å; L218-Q222 WeakPolarHBondContact O-CG 3.4Å; L218-Q222 PolarHBondContact O-N 2.67Å; L218-Q222 VanDerWaalsContact O-N 3.11Å; L218-Q222 PolarHBondContact O-NE2 3.17Å; Q222-G227 VanDerWaalsContact O-CA 3.3Å; Q222-G227 WeakPolarHBondContact O-CA 3.49Å; Q222-G227 PolarHBondContact O-N 3.34Å; Q222-H303 PolarHBondContact OE1-ND1 3.49Å; Q222-F312 HydrophobicContact CG-CE2 4.38Å; Q222-F312 VanDerWaalsContact NE2-CD1 3.27Å; Q222-F312 VanDerWaalsContact NE2-CG 3.3Å; Q222-G420 VanDerWaalsContact CG-CA 3.46Å; Q222-F424 WeakPolarHBondContact O-CB 3.3Å; Q222-F424 WeakPolarHBondContact O-CG 3.21Å
223T98.7Very high98.1Very high0 Ų03 Ų30%02%0.016CC..Iπ-helixtrans-99.4-91.2-169.563.90000111.7M219 G220 G227 M228 F300 H303 F424M219-T223 HydrophobicContact CE-CG2 3.61Å; M219-T223 WeakPolarHBondContact O-CB 3.48Å; M219-T223 PolarHBondContact O-N 2.78Å; M219-T223 VanDerWaalsContact O-N 3.12Å; M219-T223 PolarHBondContact O-OG1 3.19Å; M219-T223 HydrophobicContact SD-CG2 3.7Å; G220-T223 PolarHBondContact O-N 2.79Å; T223-G227 CarbonylContact O-C 3.52Å; T223-G227 WeakPolarHBondContact O-CA 3.33Å; T223-G227 PolarHBondContact O-N 3.25Å; T223-M228 WeakPolarHBondContact O-CB 3.33Å; T223-M228 PolarHBondContact O-N 2.87Å; T223-F300 HydrophobicContact CG2-CD1 3.91Å; T223-F300 HydrophobicContact CG2-CE1 4.11Å; T223-F300 HydrophobicContact CG2-CG 4.38Å; T223-H303 HydrophobicContact CG2-CB 4.13Å; T223-F424 HydrophobicContact CG2-CD2 3.85Å; T223-F424 HydrophobicContact CG2-CE2 3.93Å
224I98.5Very high98.2Very high0 Ų03.8 Ų3.80%02%0.02CC..Iπ-helixtrans-69.3-40.1-169.2-179.556000113.6G220 M228 V369 A372 L394G220-I224 PolarHBondContact O-N 3.04Å; I224-M228 HydrophobicContact CD1-CB 4.25Å; I224-V369 HydrophobicContact CD1-CB 4.07Å; I224-V369 HydrophobicContact CG1-CB 3.84Å; I224-V369 HydrophobicContact CG1-CG2 4.09Å; I224-A372 HydrophobicContact CB-CB 4.08Å; I224-A372 HydrophobicContact CG2-CB 3.67Å; I224-L394 HydrophobicContact CD1-CD1 4.27Å; I224-L394 HydrophobicContact CD1-CD2 4Å; I224-L394 HydrophobicContact CG1-CD1 4.03Å; I224-L394 HydrophobicContact CG1-CD2 4.03Å; I224-L394 WeakPolarHBondContact O-CD1 3.34Å
225L97Very high98.2Very high7 Ų74.4 Ų4.44%0.0372%0.023CC..Iπ-helixtrans-71.8-51.2-170.4-61.1-177.1000111.9G220 L229 S390 E393 L394 I397G220-L225 WeakPolarHBondContact O-CB 3.5Å; G220-L225 WeakPolarHBondContact O-CG 3.22Å; G220-L225 PolarHBondContact O-N 3.23Å; L225-L229 WeakPolarHBondContact O-CD2 3.46Å; L225-S390 WeakPolarHBondContact CD2-O 3.47Å; L225-E393 HydrophobicContact CD1-CB 4.03Å; L225-E393 HydrophobicContact CD2-CB 3.88Å; L225-L394 HydrophobicContact CD2-CB 4.07Å; L225-L394 HydrophobicContact CD2-CD1 4.11Å; L225-I397 HydrophobicContact CB-CG1 4.21Å; L225-I397 VanDerWaalsContact O-CG2 3.26Å; L225-I397 WeakPolarHBondContact O-CG2 3.45Å
226C98.1Very high98.3Very high2 Ų24.4 Ų4.41%0.0142%0.023CC..THydrogen-bonded Turntrans-110.6-52.7-176.3-49.10000111.9E221 M228 L229 Q230 M409 I413 N421E221-C226 WeakPolarHBondContact O-CB 3.31Å; E221-C226 PolarHBondContact O-N 3.05Å; C226-M228 PolarHBondContact O-N 3.4Å; C226-L229 PolarHBondContact O-N 3.49Å; C226-Q230 WeakPolarHBondContact O-CB 3.37Å; C226-Q230 PolarHBondContact O-N 2.97Å; C226-M409 HydrophobicContact CB-CE 4.09Å; C226-M409 HydrophobicContact CB-SD 4.21Å; C226-I413 HydrophobicContact CB-CD1 4.24Å; C226-N421 HydrophobicContact CB-CB 3.68Å
227G98.6Very high98.3Very high0 Ų04.7 Ų4.70%02%0.024CC..Hα-helixtrans-55.4-48.9-174.900000114.5Q222 T223 A231 N421 F424Q222-G227 VanDerWaalsContact O-CA 3.3Å; Q222-G227 WeakPolarHBondContact O-CA 3.49Å; Q222-G227 PolarHBondContact O-N 3.34Å; T223-G227 CarbonylContact O-C 3.52Å; T223-G227 WeakPolarHBondContact O-CA 3.33Å; T223-G227 PolarHBondContact O-N 3.25Å; G227-A231 VanDerWaalsContact O-CB 3.25Å; G227-A231 WeakPolarHBondContact O-CB 3.21Å; G227-A231 PolarHBondContact O-N 2.7Å; G227-N421 WeakPolarHBondContact CA-OD1 3.41Å; G227-F424 VanDerWaalsContact CA-CD1 3.47Å
228M98.8Very high98.4Very high5 Ų57.5 Ų7.53%0.0254%0.039CC..Hα-helixtrans-70.7-38179.3-84.4-63.2-62.900112.2T223 I224 C226 G232 M296 F300 M364 F424T223-M228 WeakPolarHBondContact O-CB 3.33Å; T223-M228 PolarHBondContact O-N 2.87Å; I224-M228 HydrophobicContact CD1-CB 4.25Å; C226-M228 PolarHBondContact O-N 3.4Å; M228-G232 WeakPolarHBondContact O-CA 3.33Å; M228-G232 PolarHBondContact O-N 3.18Å; M228-M296 HydrophobicContact CE-CE 3.91Å; M228-M296 HydrophobicContact CE-SD 4.14Å; M228-M296 HydrophobicContact SD-CE 4.02Å; M228-M296 HydrophobicContact SD-SD 3.76Å; M228-F300 HydrophobicContact CG-CZ 3.82Å; M228-F300 HydrophobicContact SD-CE2 4.31Å; M228-F300 HydrophobicContact SD-CZ 4.08Å; M228-M364 HydrophobicContact CE-CB 3.93Å; M228-M364 HydrophobicContact CE-CG 4.31Å; M228-M364 WeakPolarHBondContact CE-O 3.25Å; M228-F424 HydrophobicContact CG-CE1 3.81Å; M228-F424 HydrophobicContact CG-CZ 3.85Å; M228-F424 HydrophobicContact SD-CE1 3.76Å; M228-F424 HydrophobicContact SD-CZ 3.71Å
229L98.8Very high98.5Very high2 Ų28.4 Ų8.41%0.014%0.043CC..Hα-helixtrans-66.1-40.4176.1-99.859.9000110.9L225 C226 S233 W258 L394 I397 A398 I401 M409L225-L229 WeakPolarHBondContact O-CD2 3.46Å; C226-L229 PolarHBondContact O-N 3.49Å; L229-S233 WeakPolarHBondContact O-CB 3.42Å; L229-S233 PolarHBondContact O-N 3.38Å; L229-S233 PolarHBondContact O-OG 3.04Å; L229-W258 HydrophobicContact CG-CG 4.49Å; L229-L394 HydrophobicContact CD1-CD1 3.54Å; L229-L394 HydrophobicContact CD2-CD1 4.15Å; L229-I397 HydrophobicContact CD2-CB 4.43Å; L229-I397 HydrophobicContact CD2-CG2 4.04Å; L229-A398 HydrophobicContact CD2-CB 4.32Å; L229-I401 HydrophobicContact CB-CD1 3.76Å; L229-I401 HydrophobicContact CD2-CD1 3.78Å; L229-I401 HydrophobicContact CG-CD1 4.01Å; L229-M409 HydrophobicContact CB-SD 4.35Å
230Q98.8Very high98.5Very high1 Ų18.6 Ų8.61%0.0054%0.044CC..Hα-helixtrans-67-55.5173.4174.8155.1-47.700111.7C226 G232 S233 L234 L406 M409 N410 N421 Y422 S425C226-Q230 WeakPolarHBondContact O-CB 3.37Å; C226-Q230 PolarHBondContact O-N 2.97Å; Q230-G232 VanDerWaalsContact C-N 3.31Å; Q230-G232 PolarHBondContact O-N 2.9Å; Q230-S233 PolarHBondContact O-N 3.36Å; Q230-S233 VanDerWaalsContact O-N 3.16Å; Q230-L234 HydrophobicContact CG-CD1 4.15Å; Q230-L234 WeakPolarHBondContact O-CG 3.4Å; Q230-L234 PolarHBondContact O-N 3.35Å; Q230-L406 HydrophobicContact CB-CD2 4.21Å; Q230-L406 HydrophobicContact CG-CD1 3.94Å; Q230-L406 HydrophobicContact CG-CD2 4.48Å; Q230-M409 HydrophobicContact CB-CE 4.07Å; Q230-N410 PolarHBondContact OE1-ND2 2.64Å; Q230-N410 VanDerWaalsContact OE1-ND2 3.08Å; Q230-N421 VanDerWaalsContact CB-OD1 3.3Å; Q230-N421 WeakPolarHBondContact CB-OD1 3.19Å; Q230-N421 PolarHBondContact OE1-ND2 3.05Å; Q230-Y422 VanDerWaalsContact NE2-CD1 3.3Å; Q230-S425 PolarHBondContact NE2-OG 2.78Å
231A98.9Very high98.5Very high0 Ų011.1 Ų11.10%06%0.06CC..Hα-helixtrans-57.4-45.8-179.700000111.5G227 L234 L235 C428 V429G227-A231 VanDerWaalsContact O-CB 3.25Å; G227-A231 WeakPolarHBondContact O-CB 3.21Å; G227-A231 PolarHBondContact O-N 2.7Å; A231-L234 PolarHBondContact O-N 3.24Å; A231-L235 WeakPolarHBondContact O-CB 3.43Å; A231-L235 WeakPolarHBondContact O-CD1 3.19Å; A231-L235 WeakPolarHBondContact O-CG 3.34Å; A231-L235 PolarHBondContact O-N 3.35Å; A231-C428 HydrophobicContact CB-CB 3.96Å; A231-V429 HydrophobicContact CB-CG2 3.95Å
232G98.8Very high98.6Very high1 Ų117 Ų171%0.019%0.087CC..Hα-helixtrans-62.7-41.3176.800000112.7M228 Q230 C236M228-G232 WeakPolarHBondContact O-CA 3.33Å; M228-G232 PolarHBondContact O-N 3.18Å; Q230-G232 VanDerWaalsContact C-N 3.31Å; Q230-G232 PolarHBondContact O-N 2.9Å; G232-C236 WeakPolarHBondContact O-CB 3.48Å; G232-C236 PolarHBondContact O-N 3.29Å; G232-C236 PolarHBondContact O-SG 3.39Å
233S98.9Very high98.6Very high0 Ų023.1 Ų23.10%012%0.116CC..Hα-helixtrans-61.7-46.7177.6-64.50000111.6L229 Q230 F237 W258L229-S233 WeakPolarHBondContact O-CB 3.42Å; L229-S233 PolarHBondContact O-N 3.38Å; L229-S233 PolarHBondContact O-OG 3.04Å; Q230-S233 PolarHBondContact O-N 3.36Å; Q230-S233 VanDerWaalsContact O-N 3.16Å; S233-F237 WeakPolarHBondContact O-CB 3.33Å; S233-F237 PolarHBondContact O-N 3.33Å; S233-W258 PolarHBondContact OG-NE1 3.39Å
234L98.9Very high98.5Very high20 Ų2026.4 Ų26.411%0.10515%0.15CC..Hα-helixtrans-65.5-51.2179.7-61.2178.2000111.2Q230 A231 C236 F237 D238 T337 F339 L406 V429Q230-L234 HydrophobicContact CG-CD1 4.15Å; Q230-L234 WeakPolarHBondContact O-CG 3.4Å; Q230-L234 PolarHBondContact O-N 3.35Å; A231-L234 PolarHBondContact O-N 3.24Å; L234-C236 PolarHBondContact O-N 3.07Å; L234-F237 PolarHBondContact O-N 3.38Å; L234-D238 WeakPolarHBondContact O-CB 3.49Å; L234-D238 VanDerWaalsContact O-CG 3.3Å; L234-D238 PolarHBondContact O-N 2.89Å; L234-T337 HydrophobicContact CD1-CG2 4.38Å; L234-T337 HydrophobicContact CD2-CG2 3.77Å; L234-F339 HydrophobicContact CD2-CB 4.27Å; L234-L406 HydrophobicContact CD2-CD1 3.9Å; L234-L406 HydrophobicContact CG-CD1 4.22Å; L234-V429 HydrophobicContact CB-CG2 4.46Å; L234-V429 HydrophobicContact CD1-CG2 4.39Å
235L98.9Very high98.5Very high13 Ų1328.1 Ų28.17%0.06816%0.16CC..Hα-helixtrans-61.1-47.5-179.4-70.2165.6000112.1A231 K239 M364 V429 L432 M436A231-L235 WeakPolarHBondContact O-CB 3.43Å; A231-L235 WeakPolarHBondContact O-CD1 3.19Å; A231-L235 WeakPolarHBondContact O-CG 3.34Å; A231-L235 PolarHBondContact O-N 3.35Å; L235-K239 VanDerWaalsContact O-CB 3.24Å; L235-K239 WeakPolarHBondContact O-CB 3.23Å; L235-K239 PolarHBondContact O-N 3.13Å; L235-M364 HydrophobicContact CB-CE 4.45Å; L235-M364 HydrophobicContact CD1-CE 4.31Å; L235-V429 HydrophobicContact CD2-CB 4.45Å; L235-V429 HydrophobicContact CD2-CG1 4.02Å; L235-V429 HydrophobicContact CG-CG2 4.22Å; L235-L432 HydrophobicContact CD1-CB 3.76Å; L235-L432 HydrophobicContact CD1-CD1 3.64Å; L235-L432 HydrophobicContact CD1-CG 4.29Å; L235-L432 HydrophobicContact CD2-CB 4.49Å; L235-M436 HydrophobicContact CB-CE 4Å; L235-M436 HydrophobicContact CB-CG 4.3Å; L235-M436 HydrophobicContact CB-SD 4.16Å; L235-M436 HydrophobicContact CD2-CG 3.86Å; L235-M436 HydrophobicContact CG-CG 4.49Å; L235-M436 WeakPolarHBondContact O-CE 3.18Å
236C98.9Very high98.6Very high0 Ų032 Ų320%018%0.181CC..Hα-helixtrans-69-42.2-177.7-65.10000111.5G232 L234 K239 L240 I254 L444G232-C236 WeakPolarHBondContact O-CB 3.48Å; G232-C236 PolarHBondContact O-N 3.29Å; G232-C236 PolarHBondContact O-SG 3.39Å; L234-C236 PolarHBondContact O-N 3.07Å; C236-K239 PolarHBondContact O-N 3.39Å; C236-L240 WeakPolarHBondContact O-CB 3.5Å; C236-L240 WeakPolarHBondContact O-CD1 3.2Å; C236-L240 VanDerWaalsContact O-CG 3.24Å; C236-L240 WeakPolarHBondContact O-CG 3.06Å; C236-L240 PolarHBondContact O-N 2.62Å; C236-I254 HydrophobicContact CB-CD1 3.49Å; C236-I254 VanDerWaalsContact CB-CD1 3.49Å; C236-I254 HydrophobicContact CB-CG1 4.29Å; C236-L444 HydrophobicContact CB-CD1 4.27Å; C236-L444 HydrophobicContact CB-CD2 3.8Å; C236-L444 WeakPolarHBondContact O-CD2 3.48Å
237F98.9Very high98.6Very high5 Ų534.3 Ų34.32%0.02220%0.196CC..Hα-helixtrans-61.7-52177175.9-93.6000111.4S233 L234 K239 L240 V241 P247 A250 E251 I254 A338 F339 A342S233-F237 WeakPolarHBondContact O-CB 3.33Å; S233-F237 PolarHBondContact O-N 3.33Å; L234-F237 PolarHBondContact O-N 3.38Å; F237-K239 VanDerWaalsContact C-N 3.26Å; F237-K239 PolarHBondContact O-N 3.21Å; F237-L240 PolarHBondContact O-N 2.87Å; F237-V241 HydrophobicContact CD1-CG2 4.44Å; F237-V241 HydrophobicContact CE1-CG2 3.92Å; F237-V241 HydrophobicContact CE2-CG2 4.03Å; F237-V241 HydrophobicContact CZ-CG2 3.71Å; F237-V241 WeakPolarHBondContact O-CG2 3.32Å; F237-V241 PolarHBondContact O-N 3.39Å; F237-V241 VanDerWaalsContact O-N 3.08Å; F237-P247 WeakPolarHBondContact CE2-O 3.17Å; F237-P247 HydrophobicContact CZ-CB 4.44Å; F237-A250 HydrophobicContact CD2-CB 3.96Å; F237-A250 HydrophobicContact CE2-CB 3.98Å; F237-E251 HydrophobicContact CD2-CB 4.24Å; F237-E251 HydrophobicContact CE2-CB 3.79Å; F237-I254 HydrophobicContact CB-CG1 4.21Å; F237-A338 HydrophobicContact CD1-CB 4.26Å; F237-A338 VanDerWaalsContact CE1-C 3.49Å; F237-A338 HydrophobicContact CE1-CB 3.6Å; F237-F339 HydrophobicContact CB-CB 3.98Å; F237-F339 HydrophobicContact CB-CD2 3.97Å; F237-F339 HydrophobicContact CB-CG 4.28Å; F237-F339 HydrophobicContact CD1-CB 3.77Å; F237-F339 HydrophobicContact CD2-CB 4.29Å; F237-F339 AromaticContact CD2-CD2 3.74Å; F237-F339 HydrophobicContact CD2-CD2 3.74Å; F237-F339 HydrophobicContact CE1-CB 4.38Å; F237-F339 HydrophobicContact CE2-CD2 4.45Å; F237-F339 HydrophobicContact CG-CB 3.72Å; F237-F339 AromaticContact CG-CD2 3.86Å; F237-F339 HydrophobicContact CG-CD2 3.86Å; F237-F339 HydrophobicContact CG-CG 4.25Å; F237-A342 HydrophobicContact CE2-CB 3.9Å; F237-A342 HydrophobicContact CZ-CB 3.69Å
238D98.7Very high98.6Very high84 Ų8434.8 Ų34.845%0.44920%0.2SC..Hα-helixtrans-60-40.7-178.7-73.8-12000110.6L234 V241 E242L234-D238 WeakPolarHBondContact O-CB 3.49Å; L234-D238 VanDerWaalsContact O-CG 3.3Å; L234-D238 PolarHBondContact O-N 2.89Å; D238-V241 PolarHBondContact O-N 2.99Å; D238-E242 VanDerWaalsContact O-CB 3.29Å; D238-E242 WeakPolarHBondContact O-CB 3.35Å; D238-E242 PolarHBondContact O-N 2.9Å
239K98.7Very high98.6Very high19 Ų1936.1 Ų36.18%0.08321%0.205CC..Hα-helixtrans-67.2-40.9177.9-174.753.8172.81740113.3L235 C236 F237 V241 E242 E243 M436 L439 L444L235-K239 VanDerWaalsContact O-CB 3.24Å; L235-K239 WeakPolarHBondContact O-CB 3.23Å; L235-K239 PolarHBondContact O-N 3.13Å; C236-K239 PolarHBondContact O-N 3.39Å; F237-K239 VanDerWaalsContact C-N 3.26Å; F237-K239 PolarHBondContact O-N 3.21Å; K239-V241 VanDerWaalsContact C-N 3.31Å; K239-V241 PolarHBondContact O-N 2.73Å; K239-E242 WeakPolarHBondContact CD-OE2 3.45Å; K239-E242 IonicContact NZ-OE2 2.62Å; K239-E242 PolarHBondContact NZ-OE2 3.25Å; K239-E242 PolarHBondContact O-N 3.25Å; K239-E243 HydrophobicContact CD-CG 4.06Å; K239-E243 WeakPolarHBondContact CE-OE1 3.27Å; K239-E243 IonicContact NZ-OE1 2.64Å; K239-E243 PolarHBondContact NZ-OE1 2.92Å; K239-E243 WeakPolarHBondContact O-CG 3.48Å; K239-E243 PolarHBondContact O-N 2.97Å; K239-M436 HydrophobicContact CB-CE 3.62Å; K239-M436 VanDerWaalsContact CE-O 3.23Å; K239-M436 WeakPolarHBondContact CE-O 3.37Å; K239-M436 HydrophobicContact CG-CE 3.94Å; K239-L439 HydrophobicContact CG-CD1 3.95Å; K239-L444 HydrophobicContact CB-CD2 4.27Å; K239-L444 HydrophobicContact CG-CD2 4.41Å
240L98.7Very high98.6Very high5 Ų536 Ų363%0.02621%0.205CC..Hα-helixtrans-59.1-45.5175.7-78.7164.3000111.1C236 F237 E243 G244 T245 A250 L253 I254 L444C236-L240 WeakPolarHBondContact O-CB 3.5Å; C236-L240 WeakPolarHBondContact O-CD1 3.2Å; C236-L240 VanDerWaalsContact O-CG 3.24Å; C236-L240 WeakPolarHBondContact O-CG 3.06Å; C236-L240 PolarHBondContact O-N 2.62Å; F237-L240 PolarHBondContact O-N 2.87Å; L240-E243 PolarHBondContact O-N 3.46Å; L240-G244 PolarHBondContact O-N 3.46Å; L240-T245 HydrophobicContact CB-CG2 4.48Å; L240-T245 HydrophobicContact CD2-CG2 4.39Å; L240-T245 WeakPolarHBondContact O-CA 3.12Å; L240-T245 WeakPolarHBondContact O-CB 3.46Å; L240-T245 PolarHBondContact O-N 2.93Å; L240-T245 PolarHBondContact O-OG1 3.11Å; L240-A250 HydrophobicContact CB-CB 3.75Å; L240-A250 HydrophobicContact CD1-CB 3.98Å; L240-A250 HydrophobicContact CG-CB 4.47Å; L240-L253 HydrophobicContact CD1-CD2 3.94Å; L240-L253 HydrophobicContact CD2-CD2 4.38Å; L240-I254 HydrophobicContact CD1-CD1 3.87Å; L240-I254 HydrophobicContact CD1-CG1 4.12Å; L240-L444 HydrophobicContact CD1-CD2 4.4Å; L240-L444 HydrophobicContact CD1-CG 4.37Å; L240-L444 HydrophobicContact CD2-CD2 4.3Å; L240-L444 HydrophobicContact CD2-CG 3.86Å; L240-L444 HydrophobicContact CG-CD2 3.83Å; L240-L444 HydrophobicContact CG-CG 3.91Å
241V98.6Very high98.5Very high53 Ų5336 Ų3632%0.32121%0.205SC..Hα-helixtrans-69.3-41.6179.9175.10000111.3F237 D238 K239 E243 G244 P247 A250F237-V241 HydrophobicContact CD1-CG2 4.44Å; F237-V241 HydrophobicContact CE1-CG2 3.92Å; F237-V241 HydrophobicContact CE2-CG2 4.03Å; F237-V241 HydrophobicContact CZ-CG2 3.71Å; F237-V241 WeakPolarHBondContact O-CG2 3.32Å; F237-V241 PolarHBondContact O-N 3.39Å; F237-V241 VanDerWaalsContact O-N 3.08Å; D238-V241 PolarHBondContact O-N 2.99Å; K239-V241 VanDerWaalsContact C-N 3.31Å; K239-V241 PolarHBondContact O-N 2.73Å; V241-E243 VanDerWaalsContact C-N 3.27Å; V241-E243 PolarHBondContact O-N 3.49Å; V241-G244 PolarHBondContact O-N 3.42Å; V241-P247 HydrophobicContact CG1-CG 4.29Å; V241-P247 HydrophobicContact CG2-CB 4.2Å; V241-P247 HydrophobicContact CG2-CG 4.24Å; V241-A250 HydrophobicContact CG2-CB 4.16Å
242E98.1Very high98.5Very high138 Ų13837.8 Ų37.865%0.64521%0.212SC*.Hα-helixtrans-55.6-42.2174.3-177.6-174.2-144.500111.6D238 K239 G244D238-E242 VanDerWaalsContact O-CB 3.29Å; D238-E242 WeakPolarHBondContact O-CB 3.35Å; D238-E242 PolarHBondContact O-N 2.9Å; K239-E242 WeakPolarHBondContact CD-OE2 3.45Å; K239-E242 IonicContact NZ-OE2 2.62Å; K239-E242 PolarHBondContact NZ-OE2 3.25Å; K239-E242 PolarHBondContact O-N 3.25Å; E242-G244 PolarHBondContact O-N 2.8Å
243E97.6Very high98.5Very high131 Ų13137.7 Ų37.761%0.61221%0.211SC*.THydrogen-bonded Turntrans-82.110.3178.3-64.7-6414800113.8K239 L240 V241K239-E243 HydrophobicContact CD-CG 4.06Å; K239-E243 WeakPolarHBondContact CE-OE1 3.27Å; K239-E243 IonicContact NZ-OE1 2.64Å; K239-E243 PolarHBondContact NZ-OE1 2.92Å; K239-E243 WeakPolarHBondContact O-CG 3.48Å; K239-E243 PolarHBondContact O-N 2.97Å; L240-E243 PolarHBondContact O-N 3.46Å; V241-E243 VanDerWaalsContact C-N 3.27Å; V241-E243 PolarHBondContact O-N 3.49Å
244G97.8Very high98.5Very high69 Ų6937.7 Ų37.771%0.71121%0.211SC*.THydrogen-bonded Turntrans85.315.817200000115.8L240 V241 E242L240-G244 PolarHBondContact O-N 3.46Å; V241-G244 PolarHBondContact O-N 3.42Å; E242-G244 PolarHBondContact O-N 2.8Å
245T98.3Very high98.5Very high36 Ų3637.2 Ų37.222%0.22121%0.209CC..  trans-68.9139.5169.1-520000109.6L240 Y249 A250L240-T245 HydrophobicContact CB-CG2 4.48Å; L240-T245 HydrophobicContact CD2-CG2 4.39Å; L240-T245 WeakPolarHBondContact O-CA 3.12Å; L240-T245 WeakPolarHBondContact O-CB 3.46Å; L240-T245 PolarHBondContact O-N 2.93Å; L240-T245 PolarHBondContact O-OG1 3.11Å; T245-Y249 HydrophobicContact CG2-CD1 3.91Å; T245-A250 HydrophobicContact CG2-CB 4.08Å
246D98.2Very high98.5Very high87 Ų8739.3 Ų39.347%0.46522%0.217SC..  trans-53.9126.8173.8170.665.3000110.8A248 Y249 A250D246-A248 VanDerWaalsContact C-N 3.28Å; D246-A248 PolarHBondContact O-N 3.22Å; D246-A248 WeakPolarHBondContact OD2-CB 3.46Å; D246-A248 PolarHBondContact OD2-N 3.35Å; D246-Y249 WeakPolarHBondContact O-CB 3.38Å; D246-Y249 PolarHBondContact O-N 3.41Å; D246-Y249 VanDerWaalsContact O-N 3.12Å; D246-Y249 PolarHBondContact OD2-N 2.82Å; D246-A250 WeakPolarHBondContact O-CB 3.37Å; D246-A250 PolarHBondContact O-N 2.97Å
247P98.5Very high98.5Very high51 Ų5139.3 Ų39.333%0.33122%0.217SC..Hα-helixtrans-59.1-34.9-176.7-2835.5000114.2F237 V241 E251F237-P247 WeakPolarHBondContact CE2-O 3.17Å; F237-P247 HydrophobicContact CZ-CB 4.44Å; V241-P247 HydrophobicContact CG1-CG 4.29Å; V241-P247 HydrophobicContact CG2-CB 4.2Å; V241-P247 HydrophobicContact CG2-CG 4.24Å; P247-E251 WeakPolarHBondContact O-CB 3.19Å; P247-E251 PolarHBondContact O-N 2.89Å
248A98.5Very high98.4Very high11 Ų1139.1 Ų39.19%0.09122%0.216CC..Hα-helixtrans-67.3-45.817700000110.3D246 E251 K252 P343 Y345D246-A248 VanDerWaalsContact C-N 3.28Å; D246-A248 PolarHBondContact O-N 3.22Å; D246-A248 WeakPolarHBondContact OD2-CB 3.46Å; D246-A248 PolarHBondContact OD2-N 3.35Å; A248-E251 PolarHBondContact O-N 3.49Å; A248-K252 PolarHBondContact O-N 2.82Å; A248-K252 VanDerWaalsContact O-N 3.09Å; A248-P343 WeakPolarHBondContact CA-O 3.22Å; A248-P343 HydrophobicContact CB-CB 4.31Å; A248-P343 HydrophobicContact CB-CG 3.89Å; A248-Y345 VanDerWaalsContact C-CB 3.47Å; A248-Y345 HydrophobicContact CB-CD2 4.34Å; A248-Y345 VanDerWaalsContact O-CB 3.23Å; A248-Y345 WeakPolarHBondContact O-CB 3.38Å
249Y98.6Very high98.4Very high33 Ų3338.1 Ų38.113%0.12921%0.209CC..Hα-helixtrans-61.4-45.1177-172.1-88.2000112.1T245 D246 K252 L253 Y345 I349 K357T245-Y249 HydrophobicContact CG2-CD1 3.91Å; D246-Y249 WeakPolarHBondContact O-CB 3.38Å; D246-Y249 PolarHBondContact O-N 3.41Å; D246-Y249 VanDerWaalsContact O-N 3.12Å; D246-Y249 PolarHBondContact OD2-N 2.82Å; Y249-K252 PolarHBondContact O-N 3.29Å; Y249-L253 WeakPolarHBondContact O-CB 3.16Å; Y249-L253 PolarHBondContact O-N 2.92Å; Y249-Y345 HydrophobicContact CD2-CD1 4.02Å; Y249-Y345 AromaticContact CD2-CE1 3.61Å; Y249-Y345 HydrophobicContact CD2-CE1 3.61Å; Y249-Y345 HydrophobicContact CD2-CE2 4.19Å; Y249-Y345 HydrophobicContact CD2-CG 4.48Å; Y249-Y345 AromaticContact CD2-CZ 3.71Å; Y249-Y345 HydrophobicContact CE2-CE1 4.02Å; Y249-I349 HydrophobicContact CD2-CD1 4.24Å; Y249-I349 HydrophobicContact CD2-CG1 4.44Å; Y249-I349 HydrophobicContact CE1-CD1 4.37Å; Y249-I349 HydrophobicContact CE2-CD1 3.74Å; Y249-I349 HydrophobicContact CE2-CG1 3.68Å; Y249-K357 HydrophobicContact CE1-CD 4.47Å; Y249-K357 PolarHBondContact OH-NZ 2.94Å
250A98.7Very high98.4Very high0 Ų038.5 Ų38.50%021%0.213CC..Hα-helixtrans-60.7-45.2177.900000111.3F237 L240 V241 T245 D246 K252 L253 I254F237-A250 HydrophobicContact CD2-CB 3.96Å; F237-A250 HydrophobicContact CE2-CB 3.98Å; L240-A250 HydrophobicContact CB-CB 3.75Å; L240-A250 HydrophobicContact CD1-CB 3.98Å; L240-A250 HydrophobicContact CG-CB 4.47Å; V241-A250 HydrophobicContact CG2-CB 4.16Å; T245-A250 HydrophobicContact CG2-CB 4.08Å; D246-A250 WeakPolarHBondContact O-CB 3.37Å; D246-A250 PolarHBondContact O-N 2.97Å; A250-K252 PolarHBondContact O-N 3.18Å; A250-L253 PolarHBondContact O-N 3.39Å; A250-I254 WeakPolarHBondContact O-CG1 3.21Å; A250-I254 PolarHBondContact O-N 2.97Å
251E98.6Very high98.4Very high1 Ų138.3 Ų38.31%0.00521%0.212CC..Hα-helixtrans-57.7-50.4176.3178.1-85.916800111.4F237 P247 A248 L253 I254 Q255 F339 A342 R405F237-E251 HydrophobicContact CD2-CB 4.24Å; F237-E251 HydrophobicContact CE2-CB 3.79Å; P247-E251 WeakPolarHBondContact O-CB 3.19Å; P247-E251 PolarHBondContact O-N 2.89Å; A248-E251 PolarHBondContact O-N 3.49Å; E251-L253 VanDerWaalsContact C-N 3.31Å; E251-L253 PolarHBondContact O-N 3.21Å; E251-I254 PolarHBondContact O-N 2.97Å; E251-Q255 WeakPolarHBondContact O-CB 3.3Å; E251-Q255 PolarHBondContact O-N 2.72Å; E251-Q255 PolarHBondContact OE1-OE1 3.5Å; E251-F339 HydrophobicContact CG-CD2 4.18Å; E251-F339 HydrophobicContact CG-CE2 4.02Å; E251-A342 HydrophobicContact CB-CB 3.73Å; E251-A342 HydrophobicContact CG-CB 3.87Å; E251-R405 IonicContact OE1-CZ 3.39Å; E251-R405 IonicContact OE1-NE 3.11Å; E251-R405 PolarHBondContact OE1-NE 3.2Å; E251-R405 IonicContact OE1-NH2 2.92Å; E251-R405 PolarHBondContact OE1-NH2 3.38Å; E251-R405 IonicContact OE2-NH2 2.72Å
252K98.6Very high98.4Very high36 Ų3635.8 Ų35.816%0.15720%0.197CC..Hα-helixtrans-63.6-38.6179.5-168.8179.2-159.8152.40112.3A248 Y249 A250 I254 Q255 F256 Y345 G347 I349A248-K252 PolarHBondContact O-N 2.82Å; A248-K252 VanDerWaalsContact O-N 3.09Å; Y249-K252 PolarHBondContact O-N 3.29Å; A250-K252 PolarHBondContact O-N 3.18Å; K252-I254 VanDerWaalsContact C-N 3.28Å; K252-I254 PolarHBondContact O-N 3.49Å; K252-Q255 PolarHBondContact O-N 2.92Å; K252-F256 HydrophobicContact CG-CD2 3.61Å; K252-F256 HydrophobicContact CG-CE2 3.94Å; K252-F256 WeakPolarHBondContact O-CD2 3.31Å; K252-F256 PolarHBondContact O-N 2.65Å; K252-F256 VanDerWaalsContact O-N 3.14Å; K252-Y345 HydrophobicContact CD-CD1 3.66Å; K252-Y345 HydrophobicContact CD-CG 4.36Å; K252-Y345 WeakPolarHBondContact CD-O 3.42Å; K252-Y345 PolarHBondContact NZ-O 3.03Å; K252-G347 PolarHBondContact NZ-O 3.31Å; K252-I349 HydrophobicContact CB-CD1 4.16Å; K252-I349 HydrophobicContact CD-CD1 4.1Å; K252-I349 HydrophobicContact CD-CG1 4.37Å; K252-I349 HydrophobicContact CG-CD1 4.07Å
253L98.7Very high98.3Very high0 Ų032.7 Ų32.70%018%0.182CC..Hα-helixtrans-58.4-43.7177.3-171.570.9000110.8L240 Y249 A250 E251 G257 I349 Y354 K357L240-L253 HydrophobicContact CD1-CD2 3.94Å; L240-L253 HydrophobicContact CD2-CD2 4.38Å; Y249-L253 WeakPolarHBondContact O-CB 3.16Å; Y249-L253 PolarHBondContact O-N 2.92Å; A250-L253 PolarHBondContact O-N 3.39Å; E251-L253 VanDerWaalsContact C-N 3.31Å; E251-L253 PolarHBondContact O-N 3.21Å; L253-G257 WeakPolarHBondContact O-CA 3.47Å; L253-G257 PolarHBondContact O-N 3.2Å; L253-I349 HydrophobicContact CB-CD1 4.34Å; L253-I349 HydrophobicContact CD1-CD1 4.33Å; L253-I349 HydrophobicContact CD1-CG2 4.4Å; L253-Y354 HydrophobicContact CD1-CD1 3.81Å; L253-Y354 HydrophobicContact CD1-CE1 4.23Å; L253-K357 HydrophobicContact CD1-CB 4.17Å; L253-K357 HydrophobicContact CD1-CD 4.5Å; L253-K357 HydrophobicContact CD2-CB 4.1Å
254I98.7Very high98.3Very high0 Ų026.9 Ų26.90%016%0.156CC..Hα-helixtrans-75.7-46178.8-59.3-46.9000111.6C236 F237 L240 A250 E251 K252 F256 G257 F339 M361C236-I254 HydrophobicContact CB-CD1 3.49Å; C236-I254 VanDerWaalsContact CB-CD1 3.49Å; C236-I254 HydrophobicContact CB-CG1 4.29Å; F237-I254 HydrophobicContact CB-CG1 4.21Å; L240-I254 HydrophobicContact CD1-CD1 3.87Å; L240-I254 HydrophobicContact CD1-CG1 4.12Å; A250-I254 WeakPolarHBondContact O-CG1 3.21Å; A250-I254 PolarHBondContact O-N 2.97Å; E251-I254 PolarHBondContact O-N 2.97Å; K252-I254 VanDerWaalsContact C-N 3.28Å; K252-I254 PolarHBondContact O-N 3.49Å; I254-F256 VanDerWaalsContact C-N 3.3Å; I254-F256 PolarHBondContact O-N 3.15Å; I254-G257 PolarHBondContact O-N 3.22Å; I254-F339 HydrophobicContact CB-CD2 4.34Å; I254-F339 HydrophobicContact CB-CE2 3.71Å; I254-F339 HydrophobicContact CB-CZ 4.3Å; I254-F339 HydrophobicContact CG2-CD2 4.29Å; I254-F339 HydrophobicContact CG2-CE2 3.68Å; I254-F339 HydrophobicContact CG2-CZ 3.86Å; I254-M361 HydrophobicContact CD1-CE 4.03Å; I254-M361 HydrophobicContact CD1-CG 4.42Å; I254-M361 HydrophobicContact CD1-SD 3.63Å
255Q98.4Very high98.2Very high10 Ų1023.6 Ų23.65%0.04712%0.122CC..Hα-helixtrans-55-45.4-177.2-173.5-173.80.900111.8E251 K252 F339 I401 A402 R405E251-Q255 WeakPolarHBondContact O-CB 3.3Å; E251-Q255 PolarHBondContact O-N 2.72Å; E251-Q255 PolarHBondContact OE1-OE1 3.5Å; K252-Q255 PolarHBondContact O-N 2.92Å; Q255-F339 HydrophobicContact CB-CZ 4.33Å; Q255-I401 VanDerWaalsContact CG-O 3.32Å; Q255-I401 WeakPolarHBondContact CG-O 3.1Å; Q255-A402 PolarHBondContact NE2-O 3.01Å; Q255-A402 VanDerWaalsContact O-CA 3.29Å; Q255-A402 WeakPolarHBondContact O-CA 3.32Å; Q255-A402 PolarHBondContact O-N 2.84Å; Q255-R405 HydrophobicContact CG-CG 4.3Å
256F98.5Very high98Very high56 Ų5626.8 Ų26.825%0.24613%0.133CC..Hα-helixtrans-101.6-12-177.2-64.4-81.5000113.9K252 I254 T260 Y354 A402K252-F256 HydrophobicContact CG-CD2 3.61Å; K252-F256 HydrophobicContact CG-CE2 3.94Å; K252-F256 WeakPolarHBondContact O-CD2 3.31Å; K252-F256 PolarHBondContact O-N 2.65Å; K252-F256 VanDerWaalsContact O-N 3.14Å; I254-F256 VanDerWaalsContact C-N 3.3Å; I254-F256 PolarHBondContact O-N 3.15Å; F256-T260 WeakPolarHBondContact O-CB 3.45Å; F256-T260 PolarHBondContact O-N 3.24Å; F256-T260 PolarHBondContact O-OG1 3.27Å; F256-Y354 HydrophobicContact CB-CE1 3.77Å; F256-Y354 WeakPolarHBondContact CB-OH 3.43Å; F256-A402 HydrophobicContact CD1-CB 4.02Å; F256-A402 HydrophobicContact CE1-CB 4.29Å; F256-A402 WeakPolarHBondContact CE1-O 3.13Å
257G98.6Very high97.7Very high0 Ų028.3 Ų28.30%014%0.138CC..Hα-helixtrans-65.3-43.4-178.700000112.1L253 I254 T260 I261L253-G257 WeakPolarHBondContact O-CA 3.47Å; L253-G257 PolarHBondContact O-N 3.2Å; I254-G257 PolarHBondContact O-N 3.22Å; G257-T260 PolarHBondContact O-N 2.78Å; G257-I261 WeakPolarHBondContact O-CG1 3.32Å; G257-I261 WeakPolarHBondContact O-CG2 3.4Å; G257-I261 PolarHBondContact O-N 2.96Å
258W98.5Very high97.6Very high1 Ų126.8 Ų26.80%0.00413%0.132CC..Hα-helixtrans-59.8-48.8177.2-55.6119.9000112L229 S233 T260 I261 T262 M361 M364 V365 A398L229-W258 HydrophobicContact CG-CG 4.49Å; S233-W258 PolarHBondContact OG-NE1 3.39Å; W258-T260 VanDerWaalsContact C-N 3.34Å; W258-T260 PolarHBondContact O-N 3.08Å; W258-I261 HydrophobicContact CE3-CD1 3.99Å; W258-I261 HydrophobicContact CZ3-CD1 4.33Å; W258-T262 VanDerWaalsContact O-CB 3.26Å; W258-T262 WeakPolarHBondContact O-CB 3.09Å; W258-T262 WeakPolarHBondContact O-CG2 3.28Å; W258-T262 PolarHBondContact O-N 3.44Å; W258-T262 PolarHBondContact O-OG1 3.05Å; W258-M361 HydrophobicContact CD2-CE 3.56Å; W258-M361 HydrophobicContact CE3-CB 4.18Å; W258-M361 HydrophobicContact CE3-CE 3.81Å; W258-M361 HydrophobicContact CG-CE 4.07Å; W258-M361 HydrophobicContact CH2-CB 3.7Å; W258-M361 HydrophobicContact CH2-CE 4.04Å; W258-M361 HydrophobicContact CH2-CG 3.73Å; W258-M361 HydrophobicContact CZ2-CE 3.8Å; W258-M361 HydrophobicContact CZ2-CG 4.18Å; W258-M361 HydrophobicContact CZ3-CB 3.5Å; W258-M361 HydrophobicContact CZ3-CE 4.05Å; W258-M361 HydrophobicContact CZ3-CG 4.03Å; W258-M361 WeakPolarHBondContact CZ3-O 3.21Å; W258-M364 HydrophobicContact CH2-SD 4.26Å; W258-V365 HydrophobicContact CE3-CG2 4Å; W258-V365 HydrophobicContact CZ3-CG2 3.97Å; W258-A398 HydrophobicContact CB-CB 4.02Å
259E98.1Very high97.6Very high64 Ų6426.3 Ų26.330%0.29913%0.127SC..Hα-helixtrans-58.1-47.2176.9171-178.6-107.500110.9I261 T262 E263 N399 A402E259-I261 PolarHBondContact O-N 3.23Å; E259-T262 PolarHBondContact O-N 3.05Å; E259-T262 PolarHBondContact O-OG1 2.95Å; E259-E263 PolarHBondContact O-N 2.92Å; E259-N399 WeakPolarHBondContact CG-OD1 3.41Å; E259-N399 PolarHBondContact OE1-OD1 2.81Å; E259-A402 HydrophobicContact CB-CB 3.74Å; E259-A402 HydrophobicContact CG-CB 4.15Å; E259-A402 WeakPolarHBondContact OE1-CB 3.21Å; E259-A402 WeakPolarHBondContact OE2-CB 3.42Å
260T98.2Very high97.6Very high26 Ų2624.7 Ų24.716%0.1612%0.121CC..Hα-helixtrans-63.4-46.8-176.6-58.20000112.3F256 G257 W258 E351 Y354 F355F256-T260 WeakPolarHBondContact O-CB 3.45Å; F256-T260 PolarHBondContact O-N 3.24Å; F256-T260 PolarHBondContact O-OG1 3.27Å; G257-T260 PolarHBondContact O-N 2.78Å; W258-T260 VanDerWaalsContact C-N 3.34Å; W258-T260 PolarHBondContact O-N 3.08Å; T260-E351 HydrophobicContact CG2-CG 3.86Å; T260-Y354 HydrophobicContact CG2-CD2 3.96Å; T260-Y354 HydrophobicContact CG2-CG 4.22Å; T260-F355 HydrophobicContact CG2-CD2 4.31Å; T260-F355 HydrophobicContact CG2-CE2 3.77Å
261I98.6Very high97.6Very high1 Ų125.9 Ų25.91%0.00513%0.128CC..Hα-helixtrans-74.2-35.3-178.870.7-175.5000111.8G257 W258 E259 E263 A264 L265 M273 F355 M361 I362 V365G257-I261 WeakPolarHBondContact O-CG1 3.32Å; G257-I261 WeakPolarHBondContact O-CG2 3.4Å; G257-I261 PolarHBondContact O-N 2.96Å; W258-I261 HydrophobicContact CE3-CD1 3.99Å; W258-I261 HydrophobicContact CZ3-CD1 4.33Å; E259-I261 PolarHBondContact O-N 3.23Å; I261-E263 VanDerWaalsContact C-N 3.32Å; I261-E263 PolarHBondContact O-N 3.16Å; I261-A264 WeakPolarHBondContact O-CB 3.12Å; I261-A264 PolarHBondContact O-N 3.12Å; I261-L265 PolarHBondContact O-N 2.66Å; I261-M273 HydrophobicContact CB-CG 4.32Å; I261-M273 HydrophobicContact CB-SD 4.24Å; I261-M273 HydrophobicContact CG1-SD 4.28Å; I261-F355 HydrophobicContact CB-CE1 4.1Å; I261-F355 HydrophobicContact CB-CZ 4.42Å; I261-F355 HydrophobicContact CG2-CD1 3.98Å; I261-F355 HydrophobicContact CG2-CE1 3.95Å; I261-F355 HydrophobicContact CG2-CG 4.32Å; I261-F355 HydrophobicContact CG2-CZ 4.27Å; I261-M361 HydrophobicContact CD1-CB 3.95Å; I261-I362 HydrophobicContact CB-CG1 4.15Å; I261-I362 HydrophobicContact CD1-CG1 3.92Å; I261-I362 HydrophobicContact CG2-CD1 4.18Å; I261-I362 HydrophobicContact CG2-CG1 3.87Å; I261-V365 HydrophobicContact CD1-CG2 3.92Å
262T98.1Very high97.6Very high1 Ų128.9 Ų28.91%0.00614%0.144CC..Hα-helixtrans-76.3-18178.959.80000113W258 E259 A264 L265 K266 V365 L394 A398W258-T262 VanDerWaalsContact O-CB 3.26Å; W258-T262 WeakPolarHBondContact O-CB 3.09Å; W258-T262 WeakPolarHBondContact O-CG2 3.28Å; W258-T262 PolarHBondContact O-N 3.44Å; W258-T262 PolarHBondContact O-OG1 3.05Å; E259-T262 PolarHBondContact O-N 3.05Å; E259-T262 PolarHBondContact O-OG1 2.95Å; T262-A264 VanDerWaalsContact C-N 3.34Å; T262-L265 HydrophobicContact CG2-CD2 4.4Å; T262-L265 CarbonylContact O-C 3.49Å; T262-L265 VanDerWaalsContact O-CB 3.29Å; T262-L265 WeakPolarHBondContact O-CB 3.47Å; T262-L265 PolarHBondContact O-N 3.32Å; T262-K266 WeakPolarHBondContact O-CB 3.14Å; T262-K266 PolarHBondContact O-N 3.34Å; T262-V365 HydrophobicContact CG2-CG2 4.46Å; T262-L394 HydrophobicContact CG2-CD2 4.11Å; T262-L394 HydrophobicContact CG2-CG 4.05Å; T262-A398 HydrophobicContact CG2-CB 4.27Å; T262-A398 VanDerWaalsContact OG1-CB 3.25Å; T262-A398 WeakPolarHBondContact OG1-CB 3.46Å
263E96.5Very high97.6Very high73 Ų7327.1 Ų27.134%0.34114%0.136SC..Hα-helixtrans-64.5-39.4167-178.256.3-148.800110.9E259 I261 L265 K266 Q267E259-E263 PolarHBondContact O-N 2.92Å; I261-E263 VanDerWaalsContact C-N 3.32Å; I261-E263 PolarHBondContact O-N 3.16Å; E263-L265 VanDerWaalsContact C-N 3.32Å; E263-L265 PolarHBondContact O-N 3.11Å; E263-K266 WeakPolarHBondContact O-CB 3.35Å; E263-K266 PolarHBondContact O-N 3.37Å; E263-K266 WeakPolarHBondContact OE2-CD 3.37Å; E263-K266 IonicContact OE2-NZ 2.81Å; E263-Q267 WeakPolarHBondContact O-CG 3.32Å; E263-Q267 PolarHBondContact O-N 3.14Å; E263-Q267 PolarHBondContact OE1-NE2 3.46Å
264A97.2Very high97.6Very high8 Ų827.1 Ų27.17%0.06614%0.136CC..Hα-helixtrans-64.3-39.1171.100000111.8I261 T262 K266 Q267 G268 L272 M273 R276 F355I261-A264 WeakPolarHBondContact O-CB 3.12Å; I261-A264 PolarHBondContact O-N 3.12Å; T262-A264 VanDerWaalsContact C-N 3.34Å; A264-K266 VanDerWaalsContact C-N 3.34Å; A264-K266 PolarHBondContact O-N 3.14Å; A264-Q267 PolarHBondContact O-N 3.06Å; A264-G268 PolarHBondContact O-N 3.08Å; A264-L272 HydrophobicContact CB-CG 4.34Å; A264-M273 HydrophobicContact CB-CB 4.35Å; A264-R276 HydrophobicContact CB-CG 4.2Å; A264-F355 HydrophobicContact CB-CE1 4.1Å; A264-F355 HydrophobicContact CB-CZ 3.85Å
265L97Very high97.6Very high0 Ų030.4 Ų30.40%015%0.154CC..Hα-helixtrans-59.2-43.1174.6-166.182.4000112I261 T262 E263 Q267 G269 I270 M273 V365 L391 L394I261-L265 PolarHBondContact O-N 2.66Å; T262-L265 HydrophobicContact CG2-CD2 4.4Å; T262-L265 CarbonylContact O-C 3.49Å; T262-L265 VanDerWaalsContact O-CB 3.29Å; T262-L265 WeakPolarHBondContact O-CB 3.47Å; T262-L265 PolarHBondContact O-N 3.32Å; E263-L265 VanDerWaalsContact C-N 3.32Å; E263-L265 PolarHBondContact O-N 3.11Å; L265-Q267 VanDerWaalsContact C-N 3.34Å; L265-Q267 PolarHBondContact O-N 2.95Å; L265-G269 WeakPolarHBondContact O-CA 3.42Å; L265-G269 PolarHBondContact O-N 3.27Å; L265-I270 HydrophobicContact CD1-CB 4.35Å; L265-I270 HydrophobicContact CD1-CG1 3.82Å; L265-M273 HydrophobicContact CB-SD 4.46Å; L265-M273 HydrophobicContact CD1-CB 4.31Å; L265-M273 HydrophobicContact CD1-CE 3.98Å; L265-M273 HydrophobicContact CD1-SD 4.11Å; L265-V365 HydrophobicContact CD1-CG1 4.36Å; L265-V365 HydrophobicContact CD2-CG1 4.08Å; L265-L391 HydrophobicContact CD1-CD1 4.23Å; L265-L391 HydrophobicContact CD1-CG 4.27Å; L265-L391 HydrophobicContact CD2-CD2 4.31Å; L265-L391 HydrophobicContact CD2-CG 3.94Å; L265-L391 HydrophobicContact CG-CD1 4.38Å; L265-L391 HydrophobicContact CG-CD2 4Å; L265-L391 HydrophobicContact CG-CG 3.93Å; L265-L394 HydrophobicContact CD2-CB 4.36Å; L265-L394 HydrophobicContact CD2-CD2 3.76Å
266K92.4Very high97.6Very high103 Ų10333.4 Ų33.445%0.44817%0.165SC..Hα-helixtrans-59.3-43.8176.2-175.7-175.3176.4-179.50112T262 E263 A264 P395 R478T262-K266 WeakPolarHBondContact O-CB 3.14Å; T262-K266 PolarHBondContact O-N 3.34Å; E263-K266 WeakPolarHBondContact O-CB 3.35Å; E263-K266 PolarHBondContact O-N 3.37Å; E263-K266 WeakPolarHBondContact OE2-CD 3.37Å; E263-K266 IonicContact OE2-NZ 2.81Å; A264-K266 VanDerWaalsContact C-N 3.34Å; A264-K266 PolarHBondContact O-N 3.14Å; K266-P395 HydrophobicContact CB-CB 4.16Å; K266-P395 HydrophobicContact CB-CG 3.73Å; K266-P395 HydrophobicContact CD-CB 4.35Å; K266-P395 HydrophobicContact CG-CG 4.29Å; K266-R478 WeakPolarHBondContact O-CD 3.39Å
267Q91.9Very high97.6Very high119 Ų11931.2 Ų31.256%0.55616%0.156SC*.Hα-helixtrans-75.6-36.5-175.6-62.4-58.8-29.600112.6E263 A264 L265 L272E263-Q267 WeakPolarHBondContact O-CG 3.32Å; E263-Q267 PolarHBondContact O-N 3.14Å; E263-Q267 PolarHBondContact OE1-NE2 3.46Å; A264-Q267 PolarHBondContact O-N 3.06Å; L265-Q267 VanDerWaalsContact C-N 3.34Å; L265-Q267 PolarHBondContact O-N 2.95Å; Q267-L272 HydrophobicContact CB-CD2 3.75Å
268G96.5Very high97.6Very high20 Ų2032 Ų3221%0.20616%0.161CC..Hα-helixtrans-146.511.3-168.300000116.3A264 R478A264-G268 PolarHBondContact O-N 3.08Å; G268-R478 PolarHBondContact O-NH2 2.94Å
269G98.3Very high97.6Very high0 Ų034.5 Ų34.50%017%0.174CC..Hα-helixtrans74.6-168.9-178.500000112.9L265 T271 L272 M273 E471L265-G269 WeakPolarHBondContact O-CA 3.42Å; L265-G269 PolarHBondContact O-N 3.27Å; G269-T271 PolarHBondContact O-N 3.4Å; G269-L272 PolarHBondContact O-N 3.26Å; G269-M273 PolarHBondContact O-N 3.05Å; G269-M273 VanDerWaalsContact O-N 3.14Å; G269-E471 VanDerWaalsContact CA-OE1 3.27Å; G269-E471 WeakPolarHBondContact CA-OE1 3.38Å
270I98.8Very high97.6Very high0 Ų032.7 Ų32.70%017%0.169CC..Hα-helixtrans-56-37.6176.8-56.5171.2000109.6L265 L272 M273 M274 K366 V369 E370 L391 I465 I470 E471L265-I270 HydrophobicContact CD1-CB 4.35Å; L265-I270 HydrophobicContact CD1-CG1 3.82Å; I270-L272 PolarHBondContact O-N 3.48Å; I270-M273 HydrophobicContact CG2-CE 4.41Å; I270-M273 PolarHBondContact O-N 3.32Å; I270-M274 HydrophobicContact CG2-CG 3.87Å; I270-M274 WeakPolarHBondContact O-CB 3.37Å; I270-M274 WeakPolarHBondContact O-CG 3.27Å; I270-M274 PolarHBondContact O-N 2.97Å; I270-K366 HydrophobicContact CD1-CG 4.48Å; I270-K366 HydrophobicContact CG2-CB 4.1Å; I270-K366 HydrophobicContact CG2-CD 3.99Å; I270-K366 HydrophobicContact CG2-CG 3.76Å; I270-V369 HydrophobicContact CD1-CG1 3.52Å; I270-V369 HydrophobicContact CG1-CG1 4.01Å; I270-E370 HydrophobicContact CD1-CG 3.81Å; I270-L391 HydrophobicContact CG1-CD1 4.07Å; I270-I465 HydrophobicContact CG2-CG2 4.02Å; I270-I470 HydrophobicContact CD1-CG2 3.65Å; I270-E471 HydrophobicContact CB-CG 4.08Å; I270-E471 HydrophobicContact CD1-CG 4.37Å; I270-E471 HydrophobicContact CG1-CG 4.46Å; I270-E471 PolarHBondContact N-OE1 3.09Å; I270-E471 PolarHBondContact N-OE2 3.37Å
271T98.7Very high97.6Very high24 Ų2431.6 Ų31.615%0.14716%0.162CC..Hα-helixtrans-53.9-54.1178.2-56.40000110.9G269 M274 D275 R466 E471G269-T271 PolarHBondContact O-N 3.4Å; T271-M274 PolarHBondContact O-N 3.06Å; T271-D275 VanDerWaalsContact O-CB 3.3Å; T271-D275 WeakPolarHBondContact O-CB 3.31Å; T271-D275 PolarHBondContact O-N 2.86Å; T271-R466 HydrophobicContact CG2-CB 4.39Å; T271-E471 WeakPolarHBondContact CB-OE2 3.33Å; T271-E471 PolarHBondContact N-OE2 2.7Å; T271-E471 PolarHBondContact OG1-OE2 3.38Å
272L98.6Very high97.6Very high64 Ų6432 Ų3234%0.33516%0.163SC..Hα-helixtrans-68.5-39.3-179.4-178.659.8000112.1A264 Q267 G269 I270 M274 D275 R276A264-L272 HydrophobicContact CB-CG 4.34Å; Q267-L272 HydrophobicContact CB-CD2 3.75Å; G269-L272 PolarHBondContact O-N 3.26Å; I270-L272 PolarHBondContact O-N 3.48Å; L272-M274 VanDerWaalsContact C-N 3.31Å; L272-M274 PolarHBondContact O-N 2.96Å; L272-D275 PolarHBondContact O-N 3Å; L272-R276 WeakPolarHBondContact O-CG 3.49Å; L272-R276 PolarHBondContact O-N 3.23Å
273M98.7Very high97.6Very high0 Ų032.8 Ų32.80%017%0.168CC..Hα-helixtrans-58.5-43.9176.3-176.1-176.862.300111.5I261 A264 L265 G269 I270 R276 F355 I362 V365I261-M273 HydrophobicContact CB-CG 4.32Å; I261-M273 HydrophobicContact CB-SD 4.24Å; I261-M273 HydrophobicContact CG1-SD 4.28Å; A264-M273 HydrophobicContact CB-CB 4.35Å; L265-M273 HydrophobicContact CB-SD 4.46Å; L265-M273 HydrophobicContact CD1-CB 4.31Å; L265-M273 HydrophobicContact CD1-CE 3.98Å; L265-M273 HydrophobicContact CD1-SD 4.11Å; G269-M273 PolarHBondContact O-N 3.05Å; G269-M273 VanDerWaalsContact O-N 3.14Å; I270-M273 HydrophobicContact CG2-CE 4.41Å; I270-M273 PolarHBondContact O-N 3.32Å; M273-R276 PolarHBondContact O-N 3.2Å; M273-F355 HydrophobicContact CG-CE1 4.45Å; M273-I362 HydrophobicContact CE-CG2 3.91Å; M273-I362 HydrophobicContact CG-CG1 4.44Å; M273-I362 HydrophobicContact CG-CG2 4.2Å; M273-I362 HydrophobicContact SD-CG2 4.29Å; M273-V365 HydrophobicContact CE-CB 3.99Å; M273-V365 HydrophobicContact CE-CG1 3.63Å; M273-V365 HydrophobicContact SD-CB 4.11Å; M273-V365 HydrophobicContact SD-CG1 3.72Å
274M98.8Very high97.7Very high0 Ų031.4 Ų31.40%016%0.159CC..Hα-helixtrans-71.7-34.1176.8-65-68.2-76.100112.1I270 T271 L272 R276 L277 K282 A285 I362 K366 I465I270-M274 HydrophobicContact CG2-CG 3.87Å; I270-M274 WeakPolarHBondContact O-CB 3.37Å; I270-M274 WeakPolarHBondContact O-CG 3.27Å; I270-M274 PolarHBondContact O-N 2.97Å; T271-M274 PolarHBondContact O-N 3.06Å; L272-M274 VanDerWaalsContact C-N 3.31Å; L272-M274 PolarHBondContact O-N 2.96Å; M274-R276 PolarHBondContact O-N 3.01Å; M274-L277 WeakPolarHBondContact O-CB 3.41Å; M274-L277 PolarHBondContact O-N 3.39Å; M274-L277 VanDerWaalsContact O-N 3.15Å; M274-K282 HydrophobicContact CB-CG 4.44Å; M274-K282 HydrophobicContact CE-CG 4.16Å; M274-K282 WeakPolarHBondContact O-CE 3.21Å; M274-A285 HydrophobicContact CE-CB 3.78Å; M274-A285 HydrophobicContact SD-CB 4.18Å; M274-I362 HydrophobicContact SD-CG2 3.44Å; M274-I362 WeakPolarHBondContact SD-CG2 3.35Å; M274-K366 HydrophobicContact CE-CD 4.34Å; M274-K366 HydrophobicContact SD-CD 4.41Å; M274-I465 HydrophobicContact CB-CD1 4.02Å; M274-I465 HydrophobicContact CE-CD1 3.87Å; M274-I465 HydrophobicContact CG-CD1 4.06Å; M274-I465 HydrophobicContact CG-CG2 4.42Å
275D98.5Very high97.8Very high69 Ų6931 Ų3137%0.36916%0.156SC..Hα-helixtrans-67.3-14.9177.2-75.9-19.2000113.6T271 L272 L277 K282T271-D275 VanDerWaalsContact O-CB 3.3Å; T271-D275 WeakPolarHBondContact O-CB 3.31Å; T271-D275 PolarHBondContact O-N 2.86Å; L272-D275 PolarHBondContact O-N 3Å; D275-L277 VanDerWaalsContact C-N 3.29Å; D275-K282 IonicContact OD1-NZ 2.97Å; D275-K282 PolarHBondContact OD1-NZ 2.98Å
276R98.4Very high97.9Very high72 Ų7233.5 Ų33.527%0.27217%0.166SC..THydrogen-bonded Turntrans-76.7-14172.3-68.6-61.2-58-86.7-2.3113.7A264 L272 M273 M274 E351 Q352 F355A264-R276 HydrophobicContact CB-CG 4.2Å; L272-R276 WeakPolarHBondContact O-CG 3.49Å; L272-R276 PolarHBondContact O-N 3.23Å; M273-R276 PolarHBondContact O-N 3.2Å; M274-R276 PolarHBondContact O-N 3.01Å; R276-E351 IonicContact CZ-OE1 3.32Å; R276-E351 IonicContact NH1-OE1 3.79Å; R276-E351 PolarHBondContact NH1-OE1 3.24Å; R276-E351 IonicContact NH2-OE1 2.74Å; R276-E351 PolarHBondContact NH2-OE1 3.05Å; R276-Q352 PolarHBondContact O-NE2 2.76Å; R276-F355 HydrophobicContact CB-CD1 3.38Å; R276-F355 HydrophobicContact CB-CD2 4.46Å; R276-F355 HydrophobicContact CB-CE1 3.43Å; R276-F355 VanDerWaalsContact CB-CE1 3.43Å; R276-F355 HydrophobicContact CB-CE2 4.49Å; R276-F355 HydrophobicContact CB-CG 3.95Å; R276-F355 HydrophobicContact CB-CZ 4.02Å; R276-F355 HydrophobicContact CG-CD1 4.18Å; R276-F355 HydrophobicContact CG-CE1 3.71Å; R276-F355 HydrophobicContact CG-CZ 3.9Å
277L98.6Very high98.2Very high10 Ų1030.4 Ų30.45%0.05216%0.16CC..SBendtrans-85.4154.1176.2-69.2175.5000112M274 D275 A281 K282 A285 F355 V359 I362M274-L277 WeakPolarHBondContact O-CB 3.41Å; M274-L277 PolarHBondContact O-N 3.39Å; M274-L277 VanDerWaalsContact O-N 3.15Å; D275-L277 VanDerWaalsContact C-N 3.29Å; L277-A281 HydrophobicContact CB-CB 4.05Å; L277-A281 HydrophobicContact CD2-CB 4.15Å; L277-A281 HydrophobicContact CG-CB 4.49Å; L277-K282 HydrophobicContact CB-CB 4.19Å; L277-A285 HydrophobicContact CD1-CB 3.64Å; L277-F355 HydrophobicContact CD2-CB 4.2Å; L277-F355 WeakPolarHBondContact CD2-O 3.36Å; L277-V359 HydrophobicContact CD2-CG2 4.39Å; L277-I362 HydrophobicContact CD1-CD1 3.89Å; L277-I362 HydrophobicContact CD1-CG2 4.09Å; L277-I362 HydrophobicContact CD2-CD1 3.66Å; L277-I362 HydrophobicContact CG-CD1 3.85Å
278S98.3Very high98.5Very high16 Ų1624.8 Ų24.811%0.11213%0.133CC..  trans-58.6158.5164.267.70000110.9A281 K282 E450S278-A281 PolarHBondContact O-N 3.48Å; S278-A281 WeakPolarHBondContact OG-CB 3.25Å; S278-A281 PolarHBondContact OG-N 2.95Å; S278-K282 WeakPolarHBondContact O-CB 3.26Å; S278-K282 PolarHBondContact O-N 2.86Å; S278-E450 WeakPolarHBondContact CA-OE2 3.32Å; S278-E450 VanDerWaalsContact CB-CD 3.5Å; S278-E450 WeakPolarHBondContact CB-OE2 3.28Å
279N98.4Very high98.7Very high54 Ų5423.8 Ų23.829%0.28912%0.123SC..Hα-helixtrans-60.5-45.5-177.8-69.8-46.2000112.7A281 K282 L283 E450 V453 L458N279-A281 VanDerWaalsContact C-N 3.35Å; N279-A281 PolarHBondContact O-N 2.66Å; N279-K282 PolarHBondContact O-N 3.39Å; N279-L283 WeakPolarHBondContact O-CG 3.36Å; N279-L283 PolarHBondContact O-N 2.85Å; N279-L283 VanDerWaalsContact O-N 3.09Å; N279-E450 PolarHBondContact N-OE1 3.41Å; N279-V453 HydrophobicContact CB-CG1 3.99Å; N279-V453 HydrophobicContact CB-CG2 3.84Å; N279-L458 HydrophobicContact CB-CD1 4.23Å; N279-L458 HydrophobicContact CB-CD2 4.33Å; N279-L458 WeakPolarHBondContact OD1-CD1 3.41Å
280P98.6Very high98.7Very high27 Ų2727.1 Ų27.118%0.17514%0.139CC..Hα-helixtrans-61.8-41.2174.7-23.835.4000112.7L283 R284 I448 E450 V453P280-L283 PolarHBondContact O-N 3.26Å; P280-R284 PolarHBondContact O-N 3.14Å; P280-I448 HydrophobicContact CB-CG2 3.83Å; P280-E450 WeakPolarHBondContact CD-OE1 3.45Å; P280-V453 HydrophobicContact CB-CG1 4.32Å; P280-V453 HydrophobicContact CG-CG1 3.77Å
281A98.7Very high98.7Very high2 Ų231.1 Ų31.12%0.01716%0.157CC..Hα-helixtrans-65.4-39.9178.400000112.1L277 S278 N279 R284 A285 V359 I448L277-A281 HydrophobicContact CB-CB 4.05Å; L277-A281 HydrophobicContact CD2-CB 4.15Å; L277-A281 HydrophobicContact CG-CB 4.49Å; S278-A281 PolarHBondContact O-N 3.48Å; S278-A281 WeakPolarHBondContact OG-CB 3.25Å; S278-A281 PolarHBondContact OG-N 2.95Å; N279-A281 VanDerWaalsContact C-N 3.35Å; N279-A281 PolarHBondContact O-N 2.66Å; A281-R284 PolarHBondContact O-N 2.77Å; A281-A285 WeakPolarHBondContact O-CB 3.21Å; A281-A285 PolarHBondContact O-N 2.9Å; A281-V359 HydrophobicContact CB-CG2 4.22Å; A281-I448 HydrophobicContact CB-CB 4.03Å; A281-I448 HydrophobicContact CB-CD1 4.25Å
282K98.8Very high98.7Very high9 Ų930 Ų304%0.03915%0.15CC..Hα-helixtrans-60.7-45.5175-179.6-173.9-72.9-179.30111.5M274 D275 L277 S278 N279 R284 A285 Y286 L458 N462 I465M274-K282 HydrophobicContact CB-CG 4.44Å; M274-K282 HydrophobicContact CE-CG 4.16Å; M274-K282 WeakPolarHBondContact O-CE 3.21Å; D275-K282 IonicContact OD1-NZ 2.97Å; D275-K282 PolarHBondContact OD1-NZ 2.98Å; L277-K282 HydrophobicContact CB-CB 4.19Å; S278-K282 WeakPolarHBondContact O-CB 3.26Å; S278-K282 PolarHBondContact O-N 2.86Å; N279-K282 PolarHBondContact O-N 3.39Å; K282-R284 VanDerWaalsContact C-N 3.29Å; K282-R284 PolarHBondContact O-N 3.43Å; K282-A285 PolarHBondContact O-N 3.22Å; K282-Y286 WeakPolarHBondContact O-CB 3.33Å; K282-Y286 PolarHBondContact O-N 3.26Å; K282-L458 HydrophobicContact CD-CD1 4.47Å; K282-N462 WeakPolarHBondContact CD-OD1 3.3Å; K282-N462 PolarHBondContact NZ-OD1 3.01Å; K282-I465 HydrophobicContact CD-CD1 4.46Å; K282-I465 HydrophobicContact CG-CD1 4.42Å
283L98.7Very high98.7Very high19 Ų1928 Ų2810%0.09914%0.139CC..Hα-helixtrans-61.4-40176.6-67.7-178.7000111.5N279 P280 A287 V453 Q457 V461N279-L283 WeakPolarHBondContact O-CG 3.36Å; N279-L283 PolarHBondContact O-N 2.85Å; N279-L283 VanDerWaalsContact O-N 3.09Å; P280-L283 PolarHBondContact O-N 3.26Å; L283-A287 PolarHBondContact O-N 3.26Å; L283-V453 HydrophobicContact CD1-CB 3.8Å; L283-V453 HydrophobicContact CD1-CG1 3.72Å; L283-V453 HydrophobicContact CD1-CG2 4.4Å; L283-Q457 HydrophobicContact CD1-CG 4.31Å; L283-Q457 HydrophobicContact CD2-CG 3.97Å; L283-V461 HydrophobicContact CD2-CB 3.86Å; L283-V461 HydrophobicContact CD2-CG1 4.15Å; L283-V461 HydrophobicContact CD2-CG2 3.6Å
284R98.6Very high98.7Very high44 Ų4435.5 Ų35.517%0.16617%0.174CC..Hα-helixtrans-68.9-46.4176.1-176.554.2175.1165.10.8112.4P280 A281 K282 Y286 A287 L288 V359 D443 I448P280-R284 PolarHBondContact O-N 3.14Å; A281-R284 PolarHBondContact O-N 2.77Å; K282-R284 VanDerWaalsContact C-N 3.29Å; K282-R284 PolarHBondContact O-N 3.43Å; R284-Y286 VanDerWaalsContact C-N 3.27Å; R284-Y286 PolarHBondContact O-N 2.99Å; R284-A287 PolarHBondContact O-N 3.01Å; R284-L288 HydrophobicContact CG-CD1 4.02Å; R284-L288 HydrophobicContact CG-CG 4.35Å; R284-L288 WeakPolarHBondContact O-CG 3.3Å; R284-L288 PolarHBondContact O-N 3.44Å; R284-V359 HydrophobicContact CB-CG1 4.44Å; R284-V359 HydrophobicContact CG-CG1 4.27Å; R284-D443 WeakPolarHBondContact CG-OD1 3.23Å; R284-D443 IonicContact CZ-OD1 2.71Å; R284-D443 IonicContact CZ-OD2 2.71Å; R284-D443 IonicContact NE-OD1 3.36Å; R284-D443 PolarHBondContact NE-OD1 3.49Å; R284-D443 IonicContact NE-OD2 3.05Å; R284-D443 IonicContact NH2-OD1 2.59Å; R284-D443 PolarHBondContact NH2-OD1 3.25Å; R284-D443 IonicContact NH2-OD2 3.57Å; R284-D443 PolarHBondContact NH2-OD2 3.36Å; R284-I448 HydrophobicContact CB-CD1 3.69Å; R284-I448 HydrophobicContact CG-CD1 3.78Å
285A98.9Very high98.7Very high0 Ų038.4 Ų38.40%019%0.189CC..Hα-helixtrans-57.9-41.317600000111.5M274 L277 A281 K282 S289 V359 I362 A363M274-A285 HydrophobicContact CE-CB 3.78Å; M274-A285 HydrophobicContact SD-CB 4.18Å; L277-A285 HydrophobicContact CD1-CB 3.64Å; A281-A285 WeakPolarHBondContact O-CB 3.21Å; A281-A285 PolarHBondContact O-N 2.9Å; K282-A285 PolarHBondContact O-N 3.22Å; A285-S289 VanDerWaalsContact O-CB 3.28Å; A285-S289 WeakPolarHBondContact O-CB 3.19Å; A285-S289 PolarHBondContact O-N 3.26Å; A285-V359 HydrophobicContact CB-CG1 3.93Å; A285-I362 HydrophobicContact CB-CG2 4.49Å; A285-A363 VanDerWaalsContact O-CB 3.31Å; A285-A363 WeakPolarHBondContact O-CB 3.46Å
286Y98.9Very high98.7Very high52 Ų5235.1 Ų35.120%0.20417%0.172CC..Hα-helixtrans-61.7-50.4174.4-179.2-89.3000111.1K282 R284 L288 S289 E290 V461 A464 I465K282-Y286 WeakPolarHBondContact O-CB 3.33Å; K282-Y286 PolarHBondContact O-N 3.26Å; R284-Y286 VanDerWaalsContact C-N 3.27Å; R284-Y286 PolarHBondContact O-N 2.99Å; Y286-L288 PolarHBondContact O-N 2.92Å; Y286-S289 WeakPolarHBondContact O-CB 3.44Å; Y286-S289 PolarHBondContact O-N 3.25Å; Y286-S289 VanDerWaalsContact O-N 3.11Å; Y286-E290 HydrophobicContact CD1-CG 4.12Å; Y286-E290 HydrophobicContact CE1-CG 3.66Å; Y286-E290 WeakPolarHBondContact O-CG 3.45Å; Y286-E290 PolarHBondContact O-N 3.46Å; Y286-V461 HydrophobicContact CD1-CG1 4.32Å; Y286-V461 HydrophobicContact CD1-CG2 3.81Å; Y286-V461 HydrophobicContact CD2-CG1 3.75Å; Y286-V461 HydrophobicContact CE1-CG2 4.14Å; Y286-V461 HydrophobicContact CE2-CG1 4.44Å; Y286-V461 HydrophobicContact CG-CB 4.45Å; Y286-V461 HydrophobicContact CG-CG1 3.67Å; Y286-V461 HydrophobicContact CG-CG2 4.04Å; Y286-A464 HydrophobicContact CE2-CB 3.89Å; Y286-A464 WeakPolarHBondContact OH-CB 3.46Å; Y286-I465 HydrophobicContact CD2-CD1 4.22Å; Y286-I465 HydrophobicContact CD2-CG1 3.86Å; Y286-I465 HydrophobicContact CE2-CG1 4.21Å
287A98.8Very high98.7Very high38 Ų3832.7 Ų32.731%0.31417%0.167SC..Hα-helixtrans-61.8-42.2179.700000113.1L283 R284 S289 E290 Q291L283-A287 PolarHBondContact O-N 3.26Å; R284-A287 PolarHBondContact O-N 3.01Å; A287-S289 VanDerWaalsContact C-N 3.3Å; A287-S289 PolarHBondContact O-N 3.19Å; A287-E290 PolarHBondContact O-N 3.32Å; A287-Q291 WeakPolarHBondContact O-CG 3.38Å; A287-Q291 PolarHBondContact O-N 3.47Å; A287-Q291 VanDerWaalsContact O-N 3.15Å
288L98.9Very high98.8Very high0 Ų036.1 Ų36.10%019%0.189CC..Hα-helixtrans-61.3-41.1173.5-71.8169.5000111R284 Y286 Q291 L292 V359 L360 A363 F435 L439 D443R284-L288 HydrophobicContact CG-CD1 4.02Å; R284-L288 HydrophobicContact CG-CG 4.35Å; R284-L288 WeakPolarHBondContact O-CG 3.3Å; R284-L288 PolarHBondContact O-N 3.44Å; Y286-L288 PolarHBondContact O-N 2.92Å; L288-Q291 PolarHBondContact O-N 3.21Å; L288-L292 WeakPolarHBondContact O-CB 3.32Å; L288-L292 VanDerWaalsContact O-CG 3.28Å; L288-L292 WeakPolarHBondContact O-CG 3.39Å; L288-L292 PolarHBondContact O-N 3.03Å; L288-V359 HydrophobicContact CD1-CG1 4.1Å; L288-L360 HydrophobicContact CD1-CD1 4.49Å; L288-A363 HydrophobicContact CB-CB 3.65Å; L288-F435 HydrophobicContact CD2-CE2 4.2Å; L288-F435 HydrophobicContact CD2-CZ 3.71Å; L288-L439 HydrophobicContact CD2-CD2 4.29Å; L288-D443 HydrophobicContact CD1-CB 4.17Å
289S98.9Very high98.8Very high0 Ų036.3 Ų36.30%019%0.189CC..Hα-helixtrans-61.8-46.4178174.60000111.4A285 Y286 A287 Q291 L292 K293 K366 A367A285-S289 VanDerWaalsContact O-CB 3.28Å; A285-S289 WeakPolarHBondContact O-CB 3.19Å; A285-S289 PolarHBondContact O-N 3.26Å; Y286-S289 WeakPolarHBondContact O-CB 3.44Å; Y286-S289 PolarHBondContact O-N 3.25Å; Y286-S289 VanDerWaalsContact O-N 3.11Å; A287-S289 VanDerWaalsContact C-N 3.3Å; A287-S289 PolarHBondContact O-N 3.19Å; S289-Q291 VanDerWaalsContact C-N 3.34Å; S289-Q291 PolarHBondContact O-N 3.25Å; S289-L292 WeakPolarHBondContact O-CB 3.38Å; S289-L292 PolarHBondContact O-N 3.49Å; S289-K293 WeakPolarHBondContact O-CG 3.34Å; S289-K293 PolarHBondContact O-N 3.17Å; S289-K366 WeakPolarHBondContact OG-CD 3.29Å; S289-K366 VanDerWaalsContact OG-CG 3.27Å; S289-K366 WeakPolarHBondContact OG-CG 3.2Å; S289-K366 PolarHBondContact OG-NZ 3.06Å; S289-K366 VanDerWaalsContact OG-NZ 3.1Å; S289-A367 WeakPolarHBondContact O-CB 3.49Å; S289-A367 PolarHBondContact OG-N 3.28Å
290E98.8Very high98.8Very high70 Ų7033.8 Ų33.833%0.32718%0.176SC..Hα-helixtrans-63.1-40178.7-61.2-54.7110.700111.9Y286 A287 K293 E294 K366Y286-E290 HydrophobicContact CD1-CG 4.12Å; Y286-E290 HydrophobicContact CE1-CG 3.66Å; Y286-E290 WeakPolarHBondContact O-CG 3.45Å; Y286-E290 PolarHBondContact O-N 3.46Å; A287-E290 PolarHBondContact O-N 3.32Å; E290-K293 PolarHBondContact O-N 3.32Å; E290-E294 PolarHBondContact O-N 3.04Å; E290-K366 IonicContact OE1-NZ 3.88Å; E290-K366 PolarHBondContact OE1-NZ 2.82Å
291Q98.8Very high98.8Very high83 Ų8336.8 Ų36.839%0.38819%0.188SC..Hα-helixtrans-62.6-44.4174.2-70.3172.3-10.900112A287 L288 S289 K293 E294 I295 F435A287-Q291 WeakPolarHBondContact O-CG 3.38Å; A287-Q291 PolarHBondContact O-N 3.47Å; A287-Q291 VanDerWaalsContact O-N 3.15Å; L288-Q291 PolarHBondContact O-N 3.21Å; S289-Q291 VanDerWaalsContact C-N 3.34Å; S289-Q291 PolarHBondContact O-N 3.25Å; Q291-K293 VanDerWaalsContact C-N 3.34Å; Q291-K293 PolarHBondContact O-N 2.93Å; Q291-E294 PolarHBondContact O-N 3.14Å; Q291-I295 WeakPolarHBondContact O-CD1 3.41Å; Q291-I295 VanDerWaalsContact O-CG1 3.27Å; Q291-I295 WeakPolarHBondContact O-CG1 3.46Å; Q291-I295 PolarHBondContact O-N 2.76Å; Q291-F435 HydrophobicContact CB-CE2 3.95Å
292L98.9Very high98.8Very high0 Ų041.8 Ų41.80%021%0.209CC..Hα-helixtrans-61.6-42.2175.9-76.7169.3000111.2L288 S289 I295 M296 L360 A363 M364 A367 L432 F435L288-L292 WeakPolarHBondContact O-CB 3.32Å; L288-L292 VanDerWaalsContact O-CG 3.28Å; L288-L292 WeakPolarHBondContact O-CG 3.39Å; L288-L292 PolarHBondContact O-N 3.03Å; S289-L292 WeakPolarHBondContact O-CB 3.38Å; S289-L292 PolarHBondContact O-N 3.49Å; L292-I295 PolarHBondContact O-N 2.97Å; L292-M296 HydrophobicContact CB-CE 3.94Å; L292-M296 VanDerWaalsContact O-CB 3.3Å; L292-M296 WeakPolarHBondContact O-CB 3.47Å; L292-M296 VanDerWaalsContact O-CG 3.29Å; L292-M296 WeakPolarHBondContact O-CG 3.33Å; L292-M296 PolarHBondContact O-N 3.39Å; L292-L360 HydrophobicContact CD1-CD1 4.05Å; L292-A363 HydrophobicContact CD1-CB 4.26Å; L292-M364 HydrophobicContact CD1-CB 4.45Å; L292-M364 HydrophobicContact CD1-CG 3.76Å; L292-A367 HydrophobicContact CB-CB 3.62Å; L292-A367 HydrophobicContact CD1-CB 4.33Å; L292-L432 HydrophobicContact CD2-CD1 3.97Å; L292-L432 HydrophobicContact CD2-CD2 3.65Å; L292-L432 HydrophobicContact CD2-CG 4.48Å; L292-F435 HydrophobicContact CD1-CE1 4.5Å; L292-F435 HydrophobicContact CD1-CZ 4.28Å; L292-F435 HydrophobicContact CD2-CD1 3.96Å; L292-F435 HydrophobicContact CD2-CE1 3.66Å; L292-F435 HydrophobicContact CD2-CE2 4.29Å; L292-F435 HydrophobicContact CD2-CG 4.4Å; L292-F435 HydrophobicContact CD2-CZ 3.82Å; L292-F435 HydrophobicContact CG-CE1 4.08Å; L292-F435 HydrophobicContact CG-CE2 4.2Å; L292-F435 HydrophobicContact CG-CZ 3.74Å
293K98.9Very high98.8Very high24 Ų2441.6 Ų41.610%0.10421%0.208CC..Hα-helixtrans-59.9-47176.6-70-177.771176.80111.3S289 E290 Q291 I295 M296 A297 A367 E370 L371 E374S289-K293 WeakPolarHBondContact O-CG 3.34Å; S289-K293 PolarHBondContact O-N 3.17Å; E290-K293 PolarHBondContact O-N 3.32Å; Q291-K293 VanDerWaalsContact C-N 3.34Å; Q291-K293 PolarHBondContact O-N 2.93Å; K293-I295 PolarHBondContact O-N 3.24Å; K293-M296 PolarHBondContact O-N 3.04Å; K293-A297 VanDerWaalsContact O-CB 3.29Å; K293-A297 WeakPolarHBondContact O-CB 3.49Å; K293-A297 PolarHBondContact O-N 3.3Å; K293-A367 HydrophobicContact CG-CB 3.73Å; K293-E370 HydrophobicContact CD-CB 4.24Å; K293-E370 VanDerWaalsContact CD-OE2 3.32Å; K293-E370 WeakPolarHBondContact CD-OE2 3.35Å; K293-E370 IonicContact NZ-OE2 3.22Å; K293-E370 PolarHBondContact NZ-OE2 2.75Å; K293-L371 HydrophobicContact CB-CD1 4.31Å; K293-L371 HydrophobicContact CB-CD2 4.49Å; K293-L371 HydrophobicContact CB-CG 4.21Å; K293-L371 HydrophobicContact CG-CD1 4.33Å; K293-L371 HydrophobicContact CG-CG 4.04Å; K293-E374 WeakPolarHBondContact CE-OE2 3.36Å; K293-E374 VanDerWaalsContact NZ-CD 3.34Å; K293-E374 IonicContact NZ-OE1 3.29Å; K293-E374 PolarHBondContact NZ-OE1 3.48Å; K293-E374 IonicContact NZ-OE2 3.34Å; K293-E374 PolarHBondContact NZ-OE2 2.83Å
294E98.8Very high98.8Very high157 Ų15740.7 Ų40.773%0.73420%0.203SC*.Hα-helixtrans-59.1-46.4178.2-173.8-179.7174.700112.1E290 Q291E290-E294 PolarHBondContact O-N 3.04Å; Q291-E294 PolarHBondContact O-N 3.14Å
295I98.8Very high98.8Very high61 Ų6143.2 Ų43.231%0.31322%0.22SC..Hα-helixtrans-68.3-42.3-178.4-64.8163.7000111.5Q291 L292 K293 L431 L432 F435Q291-I295 WeakPolarHBondContact O-CD1 3.41Å; Q291-I295 VanDerWaalsContact O-CG1 3.27Å; Q291-I295 WeakPolarHBondContact O-CG1 3.46Å; Q291-I295 PolarHBondContact O-N 2.76Å; L292-I295 PolarHBondContact O-N 2.97Å; K293-I295 PolarHBondContact O-N 3.24Å; I295-L431 HydrophobicContact CG2-CD1 4.08Å; I295-L431 HydrophobicContact CG2-CD2 4.32Å; I295-L431 HydrophobicContact CG2-CG 3.92Å; I295-L432 HydrophobicContact CG2-CD2 3.92Å; I295-F435 HydrophobicContact CD1-CB 3.97Å; I295-F435 HydrophobicContact CD1-CD2 3.72Å; I295-F435 HydrophobicContact CD1-CG 4.15Å
296M98.8Very high98.8Very high0 Ų044.6 Ų44.60%023%0.228CC..Hα-helixtrans-90.2-15.7-170.5-61.7-173.6-53.200113.9M228 L292 K293 P298 L299 F300 A367 L371 L431 L432M228-M296 HydrophobicContact CE-CE 3.91Å; M228-M296 HydrophobicContact CE-SD 4.14Å; M228-M296 HydrophobicContact SD-CE 4.02Å; M228-M296 HydrophobicContact SD-SD 3.76Å; L292-M296 HydrophobicContact CB-CE 3.94Å; L292-M296 VanDerWaalsContact O-CB 3.3Å; L292-M296 WeakPolarHBondContact O-CB 3.47Å; L292-M296 VanDerWaalsContact O-CG 3.29Å; L292-M296 WeakPolarHBondContact O-CG 3.33Å; L292-M296 PolarHBondContact O-N 3.39Å; K293-M296 PolarHBondContact O-N 3.04Å; M296-P298 VanDerWaalsContact C-CD 3.48Å; M296-P298 VanDerWaalsContact C-N 3.35Å; M296-L299 WeakPolarHBondContact O-CA 2.95Å; M296-L299 WeakPolarHBondContact O-CB 3.46Å; M296-L299 PolarHBondContact O-N 3.41Å; M296-F300 HydrophobicContact CB-CD2 3.91Å; M296-F300 HydrophobicContact CB-CE2 3.84Å; M296-F300 HydrophobicContact CE-CE2 4.13Å; M296-F300 WeakPolarHBondContact O-CD2 3.38Å; M296-F300 PolarHBondContact O-N 3.45Å; M296-F300 HydrophobicContact SD-CE2 4.22Å; M296-A367 HydrophobicContact CE-CB 4.1Å; M296-L371 HydrophobicContact CB-CD1 3.75Å; M296-L371 HydrophobicContact CE-CD1 4.1Å; M296-L431 HydrophobicContact CG-CD2 4.39Å; M296-L432 HydrophobicContact CG-CD2 4.04Å; M296-L432 HydrophobicContact SD-CD1 3.9Å; M296-L432 HydrophobicContact SD-CD2 4.28Å; M296-L432 HydrophobicContact SD-CG 4.42Å
297A98.8Very high98.8Very high20 Ų2042.1 Ų42.117%0.16522%0.218CC..Hα-helixtrans-49.6-46.3-178.100000113.7K293 L299 F300 Q301 L371K293-A297 VanDerWaalsContact O-CB 3.29Å; K293-A297 WeakPolarHBondContact O-CB 3.49Å; K293-A297 PolarHBondContact O-N 3.3Å; A297-L299 VanDerWaalsContact C-N 3.27Å; A297-L299 PolarHBondContact O-N 3.31Å; A297-F300 PolarHBondContact O-N 2.81Å; A297-Q301 WeakPolarHBondContact O-CB 3.48Å; A297-Q301 VanDerWaalsContact O-CG 3.22Å; A297-Q301 WeakPolarHBondContact O-CG 3.4Å; A297-Q301 PolarHBondContact O-N 2.77Å; A297-L371 HydrophobicContact CB-CD2 3.83Å
298P98.8Very high98.8Very high82 Ų8242.2 Ų42.253%0.53221%0.212SC..Hα-helixtrans-62.9-31.9178-22.634.9000113.6M296 K302M296-P298 VanDerWaalsContact C-CD 3.48Å; M296-P298 VanDerWaalsContact C-N 3.35Å; P298-K302 VanDerWaalsContact O-CB 3.3Å; P298-K302 WeakPolarHBondContact O-CB 3.47Å; P298-K302 PolarHBondContact O-N 2.91Å
299L98.9Very high98.8Very high21 Ų2145 Ų4511%0.1123%0.232CC..Hα-helixtrans-72.1-45.1177.3-179.561.2000110.8M296 A297 K302 H303 F424 A427 C428 L431M296-L299 WeakPolarHBondContact O-CA 2.95Å; M296-L299 WeakPolarHBondContact O-CB 3.46Å; M296-L299 PolarHBondContact O-N 3.41Å; A297-L299 VanDerWaalsContact C-N 3.27Å; A297-L299 PolarHBondContact O-N 3.31Å; L299-K302 PolarHBondContact O-N 3.27Å; L299-H303 PolarHBondContact O-CD2 2.82Å; L299-H303 VanDerWaalsContact O-CD2 3.31Å; L299-H303 PolarHBondContact O-N 3.14Å; L299-F424 HydrophobicContact CD2-CD2 4.21Å; L299-F424 HydrophobicContact CD2-CE2 3.88Å; L299-F424 HydrophobicContact CD2-CZ 4.23Å; L299-F424 HydrophobicContact CG-CD2 4.28Å; L299-F424 HydrophobicContact CG-CE2 4.06Å; L299-A427 HydrophobicContact CD1-CB 3.78Å; L299-A427 HydrophobicContact CD2-CB 4.2Å; L299-C428 HydrophobicContact CD2-CB 3.77Å; L299-L431 HydrophobicContact CB-CD2 4.06Å; L299-L431 HydrophobicContact CD2-CD2 3.93Å
300F98.8Very high98.7Very high0 Ų045.2 Ų45.20%024%0.235CC..Hα-helixtrans-63.2-44177.1-82.9-114.7000111.6M219 T223 M228 M296 A297 K302 H303 M304 G368 L371 A372 F424M219-F300 HydrophobicContact CE-CB 4.23Å; M219-F300 HydrophobicContact CE-CD1 3.9Å; M219-F300 HydrophobicContact CE-CG 4.49Å; T223-F300 HydrophobicContact CG2-CD1 3.91Å; T223-F300 HydrophobicContact CG2-CE1 4.11Å; T223-F300 HydrophobicContact CG2-CG 4.38Å; M228-F300 HydrophobicContact CG-CZ 3.82Å; M228-F300 HydrophobicContact SD-CE2 4.31Å; M228-F300 HydrophobicContact SD-CZ 4.08Å; M296-F300 HydrophobicContact CB-CD2 3.91Å; M296-F300 HydrophobicContact CB-CE2 3.84Å; M296-F300 HydrophobicContact CE-CE2 4.13Å; M296-F300 WeakPolarHBondContact O-CD2 3.38Å; M296-F300 PolarHBondContact O-N 3.45Å; M296-F300 HydrophobicContact SD-CE2 4.22Å; A297-F300 PolarHBondContact O-N 2.81Å; F300-K302 PolarHBondContact O-N 3.28Å; F300-H303 PolarHBondContact O-N 2.74Å; F300-M304 PolarHBondContact O-N 3Å; F300-G368 WeakPolarHBondContact CE1-O 3.49Å; F300-L371 HydrophobicContact CB-CB 4.43Å; F300-L371 HydrophobicContact CD1-CB 3.53Å; F300-L371 HydrophobicContact CD1-CD1 4.48Å; F300-L371 HydrophobicContact CD2-CB 4.36Å; F300-L371 HydrophobicContact CD2-CD1 3.84Å; F300-L371 HydrophobicContact CE1-CB 3.72Å; F300-L371 HydrophobicContact CE2-CD1 3.93Å; F300-L371 HydrophobicContact CG-CB 3.87Å; F300-L371 HydrophobicContact CG-CD1 4.11Å; F300-L371 HydrophobicContact CZ-CB 4.22Å; F300-L371 HydrophobicContact CZ-CD1 4.31Å; F300-A372 HydrophobicContact CD1-CB 4.37Å; F300-A372 HydrophobicContact CE1-CB 4.15Å; F300-F424 AromaticContact CD2-CE2 3.83Å; F300-F424 HydrophobicContact CD2-CE2 3.83Å; F300-F424 HydrophobicContact CD2-CZ 4.18Å; F300-F424 AromaticContact CE2-CE2 3.55Å; F300-F424 HydrophobicContact CE2-CE2 3.55Å; F300-F424 AromaticContact CE2-CZ 3.44Å; F300-F424 HydrophobicContact CE2-CZ 3.44Å; F300-F424 VanDerWaalsContact CE2-CZ 3.44Å; F300-F424 AromaticContact CZ-CE2 3.99Å; F300-F424 HydrophobicContact CZ-CE2 3.99Å; F300-F424 AromaticContact CZ-CZ 3.78Å; F300-F424 HydrophobicContact CZ-CZ 3.78Å
301Q98.9Very high98.7Very high91 Ų9147.4 Ų47.443%0.42525%0.245SC..Hα-helixtrans-58.7-46.8174.3-72163.31.500111.1A297 H303 M304 D305 T375A297-Q301 WeakPolarHBondContact O-CB 3.48Å; A297-Q301 VanDerWaalsContact O-CG 3.22Å; A297-Q301 WeakPolarHBondContact O-CG 3.4Å; A297-Q301 PolarHBondContact O-N 2.77Å; Q301-H303 VanDerWaalsContact C-N 3.33Å; Q301-H303 PolarHBondContact O-N 3.35Å; Q301-M304 PolarHBondContact O-N 2.64Å; Q301-D305 WeakPolarHBondContact O-CB 3.3Å; Q301-D305 PolarHBondContact O-N 3.22Å; Q301-T375 HydrophobicContact CG-CG2 4.16Å
302K98.8Very high98.7Very high107 Ų10743.8 Ų43.847%0.46523%0.228SC..Hα-helixtrans-56.2-45.7175.7172.7169.8172.246.40112.5P298 L299 F300 D305 D306P298-K302 VanDerWaalsContact O-CB 3.3Å; P298-K302 WeakPolarHBondContact O-CB 3.47Å; P298-K302 PolarHBondContact O-N 2.91Å; L299-K302 PolarHBondContact O-N 3.27Å; F300-K302 PolarHBondContact O-N 3.28Å; K302-D305 PolarHBondContact O-N 3.03Å; K302-D306 WeakPolarHBondContact CE-OD2 3.29Å; K302-D306 VanDerWaalsContact NZ-CG 3.34Å; K302-D306 IonicContact NZ-OD1 2.83Å; K302-D306 PolarHBondContact NZ-OD1 2.93Å; K302-D306 IonicContact NZ-OD2 3.59Å; K302-D306 PolarHBondContact NZ-OD2 3.04Å; K302-D306 WeakPolarHBondContact O-CB 3.45Å; K302-D306 PolarHBondContact O-N 3.3Å
303H98.9Very high98.6Very high5 Ų543.9 Ų43.92%0.02323%0.228CC..Hα-helixtrans-61.6-45.5178.4-88.8-94.6000111.5M219 Q222 T223 L299 F300 Q301 D305 D306 I307 F424M219-H303 HydrophobicContact SD-CB 4.38Å; Q222-H303 PolarHBondContact OE1-ND1 3.49Å; T223-H303 HydrophobicContact CG2-CB 4.13Å; L299-H303 PolarHBondContact O-CD2 2.82Å; L299-H303 VanDerWaalsContact O-CD2 3.31Å; L299-H303 PolarHBondContact O-N 3.14Å; F300-H303 PolarHBondContact O-N 2.74Å; Q301-H303 VanDerWaalsContact C-N 3.33Å; Q301-H303 PolarHBondContact O-N 3.35Å; H303-D305 PolarHBondContact O-N 2.93Å; H303-D306 PolarHBondContact O-N 2.87Å; H303-I307 WeakPolarHBondContact O-CB 3.42Å; H303-I307 WeakPolarHBondContact O-CD1 3.48Å; H303-I307 WeakPolarHBondContact O-CG1 3.41Å; H303-I307 PolarHBondContact O-N 2.92Å; H303-F424 AromaticContact CD2-CD2 3.82Å; H303-F424 PolarHBondContact CE1-N 3.31Å; H303-F424 WeakPolarHBondContact NE2-CA 3.21Å; H303-F424 AromaticContact NE2-CD2 3.74Å
304M98.8Very high98.5Very high0 Ų046.1 Ų46.10%025%0.247CC..Hα-helixtrans-64.6-40.1177.4-168.658.3-166.700112.3M219 F300 Q301 I307 I308 T375 M376 S379 I381M219-M304 HydrophobicContact CB-SD 3.78Å; M219-M304 HydrophobicContact CE-CB 4.28Å; M219-M304 HydrophobicContact CG-SD 3.74Å; M219-M304 HydrophobicContact SD-CB 3.92Å; M219-M304 HydrophobicContact SD-SD 4.05Å; F300-M304 PolarHBondContact O-N 3Å; Q301-M304 PolarHBondContact O-N 2.64Å; M304-I307 PolarHBondContact O-N 3.25Å; M304-I308 HydrophobicContact CE-CD1 3.62Å; M304-I308 HydrophobicContact CE-CG1 3.58Å; M304-I308 HydrophobicContact CG-CG1 4.42Å; M304-I308 WeakPolarHBondContact O-CB 3.45Å; M304-I308 VanDerWaalsContact O-CG1 3.31Å; M304-I308 WeakPolarHBondContact O-CG1 3.19Å; M304-I308 PolarHBondContact O-N 3.31Å; M304-I308 HydrophobicContact SD-CG1 4.45Å; M304-T375 HydrophobicContact CB-CG2 3.5Å; M304-T375 VanDerWaalsContact CB-CG2 3.5Å; M304-T375 HydrophobicContact CG-CG2 3.95Å; M304-M376 HydrophobicContact SD-CG 4.4Å; M304-S379 VanDerWaalsContact CE-CB 3.47Å; M304-S379 WeakPolarHBondContact CG-OG 3.28Å; M304-I381 HydrophobicContact CE-CD1 3.43Å; M304-I381 VanDerWaalsContact CE-CD1 3.43Å; M304-I381 HydrophobicContact CE-CG1 4.41Å
305D98.8Very high98.5Very high96 Ų9639.9 Ų39.951%0.51323%0.225SC..Hα-helixtrans-64.2-43.1176.8-70.5-19.3000111.8Q301 K302 H303 I307 I308 S309Q301-D305 WeakPolarHBondContact O-CB 3.3Å; Q301-D305 PolarHBondContact O-N 3.22Å; K302-D305 PolarHBondContact O-N 3.03Å; H303-D305 PolarHBondContact O-N 2.93Å; D305-I307 VanDerWaalsContact C-N 3.33Å; D305-I308 PolarHBondContact O-N 3.47Å; D305-S309 VanDerWaalsContact O-CB 3.27Å; D305-S309 WeakPolarHBondContact O-CB 3.38Å; D305-S309 PolarHBondContact O-N 3.37Å; D305-S309 PolarHBondContact O-OG 3.44Å
306D98.7Very high98.4Very high30 Ų3037 Ų3716%0.1621%0.21CC..Hα-helixtrans-66.3-35.9176.1-69-14000111.1K302 H303 S309 G310 E311 F312K302-D306 WeakPolarHBondContact CE-OD2 3.29Å; K302-D306 VanDerWaalsContact NZ-CG 3.34Å; K302-D306 IonicContact NZ-OD1 2.83Å; K302-D306 PolarHBondContact NZ-OD1 2.93Å; K302-D306 IonicContact NZ-OD2 3.59Å; K302-D306 PolarHBondContact NZ-OD2 3.04Å; K302-D306 WeakPolarHBondContact O-CB 3.45Å; K302-D306 PolarHBondContact O-N 3.3Å; H303-D306 PolarHBondContact O-N 2.87Å; D306-S309 WeakPolarHBondContact CA-OG 3.33Å; D306-S309 PolarHBondContact O-OG 3.02Å; D306-G310 CarbonylContact O-C 3.58Å; D306-G310 PolarHBondContact O-N 3.31Å; D306-E311 HydrophobicContact CB-CB 4.32Å; D306-E311 PolarHBondContact O-N 2.87Å; D306-F312 HydrophobicContact CB-CB 4.23Å; D306-F312 PolarHBondContact O-N 2.96Å
307I98.7Very high98.3Very high0 Ų040 Ų400%023%0.225CC..Hα-helixtrans-66-50.2173.1-72.7161.7000110.7K215 L218 M219 H303 M304 D305 S309 G310 F312K215-I307 HydrophobicContact CB-CG2 4.41Å; K215-I307 HydrophobicContact CD-CG2 3.69Å; K215-I307 PolarHBondContact NZ-O 2.71Å; L218-I307 HydrophobicContact CB-CD1 4.02Å; L218-I307 HydrophobicContact CB-CG1 4.19Å; L218-I307 HydrophobicContact CB-CG2 4.17Å; L218-I307 HydrophobicContact CD1-CG2 4.27Å; M219-I307 HydrophobicContact CB-CD1 3.93Å; M219-I307 HydrophobicContact SD-CD1 4.19Å; H303-I307 WeakPolarHBondContact O-CB 3.42Å; H303-I307 WeakPolarHBondContact O-CD1 3.48Å; H303-I307 WeakPolarHBondContact O-CG1 3.41Å; H303-I307 PolarHBondContact O-N 2.92Å; M304-I307 PolarHBondContact O-N 3.25Å; D305-I307 VanDerWaalsContact C-N 3.33Å; I307-S309 PolarHBondContact O-N 2.88Å; I307-G310 PolarHBondContact O-N 3.49Å; I307-F312 HydrophobicContact CG1-CB 4.19Å; I307-F312 HydrophobicContact CG1-CD1 4.28Å; I307-F312 HydrophobicContact CG1-CG 4.27Å
308I98.5Very high98.2Very high39 Ų3941.9 Ų41.920%0.224%0.241CC..Hα-helixtrans-63.8-43.5-177.7-74.1-67.4000111.1F5 L17 K215 M304 D305 G310F5-I308 VanDerWaalsContact CD1-O 3.24Å; F5-I308 WeakPolarHBondContact CD1-O 3.27Å; F5-I308 HydrophobicContact CE1-CG2 3.98Å; F5-I308 WeakPolarHBondContact CE1-O 3.32Å; F5-I308 HydrophobicContact CZ-CD1 4.29Å; F5-I308 HydrophobicContact CZ-CG2 4.42Å; L17-I308 HydrophobicContact CD1-CD1 4.22Å; L17-I308 HydrophobicContact CD2-CD1 4.07Å; K215-I308 HydrophobicContact CB-CD1 4.42Å; K215-I308 HydrophobicContact CD-CD1 4.33Å; K215-I308 HydrophobicContact CG-CD1 4.28Å; M304-I308 HydrophobicContact CE-CD1 3.62Å; M304-I308 HydrophobicContact CE-CG1 3.58Å; M304-I308 HydrophobicContact CG-CG1 4.42Å; M304-I308 WeakPolarHBondContact O-CB 3.45Å; M304-I308 VanDerWaalsContact O-CG1 3.31Å; M304-I308 WeakPolarHBondContact O-CG1 3.19Å; M304-I308 PolarHBondContact O-N 3.31Å; M304-I308 HydrophobicContact SD-CG1 4.45Å; D305-I308 PolarHBondContact O-N 3.47Å; I308-G310 PolarHBondContact O-N 3.29Å
309S98.1Very high98.1Very high58 Ų5838.2 Ų38.241%0.40622%0.217SC..Hα-helixtrans-71-17.1178.362.30000113.9N6 D305 D306 I307 E311N6-S309 PolarHBondContact ND2-O 3.07Å; N6-S309 PolarHBondContact OD1-O 3.37Å; D305-S309 VanDerWaalsContact O-CB 3.27Å; D305-S309 WeakPolarHBondContact O-CB 3.38Å; D305-S309 PolarHBondContact O-N 3.37Å; D305-S309 PolarHBondContact O-OG 3.44Å; D306-S309 WeakPolarHBondContact CA-OG 3.33Å; D306-S309 PolarHBondContact O-OG 3.02Å; I307-S309 PolarHBondContact O-N 2.88Å; S309-E311 VanDerWaalsContact C-N 3.27Å; S309-E311 PolarHBondContact OG-N 3.35Å
310G97.7Very high98Very high6 Ų638.6 Ų38.66%0.06222%0.217CC..THydrogen-bonded Turntrans79.17.1-17300000113.8D306 I307 I308 F312 S313 S314D306-G310 CarbonylContact O-C 3.58Å; D306-G310 PolarHBondContact O-N 3.31Å; I307-G310 PolarHBondContact O-N 3.49Å; I308-G310 PolarHBondContact O-N 3.29Å; G310-F312 VanDerWaalsContact C-N 3.32Å; G310-S313 PolarHBondContact O-OG 3.47Å; G310-S314 WeakPolarHBondContact O-CB 3.35Å; G310-S314 PolarHBondContact O-N 2.82Å
311E98.3Very high97.8Very high116 Ų11642.9 Ų42.954%0.54225%0.252SS..Hα-helixtrans-62.6-40.9174.1-177.960-156.700111D306 S309 G315D306-E311 HydrophobicContact CB-CB 4.32Å; D306-E311 PolarHBondContact O-N 2.87Å; S309-E311 VanDerWaalsContact C-N 3.27Å; S309-E311 PolarHBondContact OG-N 3.35Å; E311-G315 PolarHBondContact O-N 2.94Å
312F98.1Very high97.7Very high6 Ų643.1 Ų43.13%0.02626%0.256CS..Hα-helixtrans-56.5-55.4175.8163.1-102.3000111.5L218 Q222 D306 I307 G310 S314 G315 M316 T416 Y419 L423L218-F312 HydrophobicContact CD1-CD1 4.1Å; L218-F312 HydrophobicContact CD1-CE1 4.06Å; L218-F312 HydrophobicContact CD2-CE1 3.75Å; L218-F312 HydrophobicContact CD2-CZ 4.49Å; L218-F312 HydrophobicContact CG-CE1 4.4Å; Q222-F312 HydrophobicContact CG-CE2 4.38Å; Q222-F312 VanDerWaalsContact NE2-CD1 3.27Å; Q222-F312 VanDerWaalsContact NE2-CG 3.3Å; D306-F312 HydrophobicContact CB-CB 4.23Å; D306-F312 PolarHBondContact O-N 2.96Å; I307-F312 HydrophobicContact CG1-CB 4.19Å; I307-F312 HydrophobicContact CG1-CD1 4.28Å; I307-F312 HydrophobicContact CG1-CG 4.27Å; G310-F312 VanDerWaalsContact C-N 3.32Å; F312-S314 PolarHBondContact O-N 3.49Å; F312-G315 PolarHBondContact O-N 2.86Å; F312-M316 HydrophobicContact CE1-CE 4.38Å; F312-M316 HydrophobicContact CE1-SD 4.48Å; F312-M316 HydrophobicContact CZ-CE 4.45Å; F312-M316 HydrophobicContact CZ-SD 3.97Å; F312-M316 WeakPolarHBondContact O-CB 3.46Å; F312-M316 PolarHBondContact O-N 2.98Å; F312-T416 HydrophobicContact CE1-CG2 4.22Å; F312-T416 HydrophobicContact CZ-CG2 4.22Å; F312-Y419 HydrophobicContact CE2-CD1 4.03Å; F312-L423 HydrophobicContact CD2-CD2 3.99Å; F312-L423 HydrophobicContact CE2-CD2 4.46Å
313S97.2Very high97.6Very high2 Ų244.5 Ų44.51%0.01427%0.269CS..Hα-helixtrans-67.9-38.7-175.355.80000111.3E138 G310 M316 M317E138-S313 WeakPolarHBondContact OE2-CB 3.43Å; E138-S313 PolarHBondContact OE2-OG 3.23Å; G310-S313 PolarHBondContact O-OG 3.47Å; S313-M316 PolarHBondContact O-N 3.41Å; S313-M317 WeakPolarHBondContact O-CB 3.47Å; S313-M317 WeakPolarHBondContact O-CG 3.34Å; S313-M317 PolarHBondContact O-N 3.34Å
314S97.5Very high97.5Very high71 Ų7145.7 Ų45.750%0.49728%0.275SS..Hα-helixtrans-57.7-50.5171.7-179.80000112G310 F312 M316 M317 A318G310-S314 WeakPolarHBondContact O-CB 3.35Å; G310-S314 PolarHBondContact O-N 2.82Å; F312-S314 PolarHBondContact O-N 3.49Å; S314-M316 PolarHBondContact O-N 3.11Å; S314-M317 PolarHBondContact O-N 2.85Å; S314-A318 PolarHBondContact O-N 3.49Å
315G97.5Very high97.5Very high27 Ų2751.8 Ų51.828%0.27830%0.302SS..Hα-helixtrans-64.5-37.9179.800000113.4E311 F312 D319 Y419E311-G315 PolarHBondContact O-N 2.94Å; F312-G315 PolarHBondContact O-N 2.86Å; G315-D319 PolarHBondContact O-N 3.33Å; G315-Y419 PolarHBondContact O-OH 2.97Å
316M97.5Very high97.5Very high0 Ų051.3 Ų51.30%030%0.295CS..Hα-helixtrans-67.8-46.6174.4-178.4-17664.400111.8F134 F312 S313 S314 A318 D319 W320 T416 Y419F134-M316 HydrophobicContact CE1-CE 4.18Å; F134-M316 HydrophobicContact CE2-CE 3.58Å; F134-M316 HydrophobicContact CZ-CE 3.26Å; F312-M316 HydrophobicContact CE1-CE 4.38Å; F312-M316 HydrophobicContact CE1-SD 4.48Å; F312-M316 HydrophobicContact CZ-CE 4.45Å; F312-M316 HydrophobicContact CZ-SD 3.97Å; F312-M316 WeakPolarHBondContact O-CB 3.46Å; F312-M316 PolarHBondContact O-N 2.98Å; S313-M316 PolarHBondContact O-N 3.41Å; S314-M316 PolarHBondContact O-N 3.11Å; M316-A318 PolarHBondContact O-N 2.91Å; M316-D319 WeakPolarHBondContact O-CA 3.13Å; M316-D319 WeakPolarHBondContact O-CB 3.46Å; M316-D319 PolarHBondContact O-N 3.25Å; M316-W320 HydrophobicContact CE-CH2 3.64Å; M316-W320 HydrophobicContact CE-CZ2 3.27Å; M316-W320 HydrophobicContact CG-CZ2 4.22Å; M316-W320 PolarHBondContact O-N 3.43Å; M316-W320 HydrophobicContact SD-CZ2 3.76Å; M316-T416 HydrophobicContact CE-CG2 3.73Å; M316-T416 VanDerWaalsContact SD-CA 3.6Å; M316-T416 HydrophobicContact SD-CG2 3.82Å; M316-Y419 HydrophobicContact CB-CD1 3.85Å; M316-Y419 HydrophobicContact CB-CE1 3.85Å; M316-Y419 HydrophobicContact CB-CG 4.35Å; M316-Y419 HydrophobicContact CG-CD1 3.79Å; M316-Y419 HydrophobicContact CG-CD2 4.21Å; M316-Y419 HydrophobicContact CG-CE1 4.19Å; M316-Y419 HydrophobicContact CG-CG 3.79Å; M316-Y419 HydrophobicContact SD-CD1 4.33Å; M316-Y419 HydrophobicContact SD-CG 4.28Å
317M96.1Very high97.4Very high62 Ų6250 Ų5031%0.30529%0.288SS..Hα-helixtrans-63.3-29.4177.7-71.7177.169.800112.2F134 V139 S313 S314 D319 W320 A321F134-M317 HydrophobicContact CE1-SD 4.33Å; V139-M317 HydrophobicContact CB-CE 4.48Å; V139-M317 HydrophobicContact CG1-CE 4.3Å; V139-M317 HydrophobicContact CG2-CE 3.89Å; V139-M317 HydrophobicContact CG2-SD 4.01Å; S313-M317 WeakPolarHBondContact O-CB 3.47Å; S313-M317 WeakPolarHBondContact O-CG 3.34Å; S313-M317 PolarHBondContact O-N 3.34Å; S314-M317 PolarHBondContact O-N 2.85Å; M317-D319 VanDerWaalsContact C-N 3.34Å; M317-W320 HydrophobicContact CB-CE3 4.37Å; M317-W320 HydrophobicContact CG-CD2 4.45Å; M317-W320 HydrophobicContact CG-CE3 3.76Å; M317-W320 HydrophobicContact CG-CZ3 3.83Å; M317-W320 WeakPolarHBondContact O-CB 3.31Å; M317-W320 PolarHBondContact O-N 3.1Å; M317-A321 PolarHBondContact O-N 3.01Å
318A97.6Very high97.4Very high60 Ų6054 Ų5450%0.49631%0.309SS..Hα-helixtrans-65.2-36.6170.100000112.2S314 M316 A321 N322S314-A318 PolarHBondContact O-N 3.49Å; M316-A318 PolarHBondContact O-N 2.91Å; A318-A321 PolarHBondContact O-N 3.02Å; A318-N322 WeakPolarHBondContact O-CB 3.2Å; A318-N322 PolarHBondContact O-N 3.43Å
319D97.9Very high97.4Very high6 Ų654.2 Ų54.23%0.03231%0.312CS..Hα-helixtrans-69.4-38172.6-162.256.5000111.9G315 M316 M317 A321 N322 D323 D324 K325 K326 L327 Y419G315-D319 PolarHBondContact O-N 3.33Å; M316-D319 WeakPolarHBondContact O-CA 3.13Å; M316-D319 WeakPolarHBondContact O-CB 3.46Å; M316-D319 PolarHBondContact O-N 3.25Å; M317-D319 VanDerWaalsContact C-N 3.34Å; D319-A321 VanDerWaalsContact C-N 3.29Å; D319-A321 PolarHBondContact O-N 3.14Å; D319-N322 CarbonylContact O-C 3.24Å; D319-N322 VanDerWaalsContact O-C 3.24Å; D319-N322 WeakPolarHBondContact O-CA 3.23Å; D319-N322 PolarHBondContact O-N 3.5Å; D319-D323 PolarHBondContact O-N 2.72Å; D319-D324 WeakPolarHBondContact O-CA 3.36Å; D319-D324 PolarHBondContact O-N 3.42Å; D319-K325 PolarHBondContact OD1-N 3.45Å; D319-K326 VanDerWaalsContact OD1-CB 3.32Å; D319-K326 WeakPolarHBondContact OD1-CB 3.49Å; D319-K326 WeakPolarHBondContact OD1-CG 3.3Å; D319-K326 PolarHBondContact OD1-N 3.31Å; D319-K326 PolarHBondContact OD2-N 2.95Å; D319-L327 PolarHBondContact OD2-N 2.78Å; D319-Y419 HydrophobicContact CB-CE2 3.68Å; D319-Y419 WeakPolarHBondContact OD2-CE2 3.49Å
320W95.5Very high97.4Very high29 Ų2953.4 Ų53.411%0.1130%0.3CS..Hα-helixtrans-58.8-40.7174-68.4-5.3000112.8K109 F134 M316 M317 N322 D324K109-W320 HydrophobicContact CB-CD2 4.2Å; K109-W320 HydrophobicContact CB-CE3 4.19Å; K109-W320 HydrophobicContact CB-CH2 4.01Å; K109-W320 HydrophobicContact CB-CZ2 4Å; K109-W320 HydrophobicContact CB-CZ3 4.11Å; K109-W320 HydrophobicContact CD-CB 4.27Å; K109-W320 HydrophobicContact CD-CD2 3.87Å; K109-W320 HydrophobicContact CD-CE3 4.43Å; K109-W320 HydrophobicContact CD-CG 3.78Å; K109-W320 HydrophobicContact CG-CD2 3.78Å; K109-W320 HydrophobicContact CG-CE3 3.85Å; K109-W320 HydrophobicContact CG-CG 4.18Å; K109-W320 HydrophobicContact CG-CZ2 4.49Å; K109-W320 HydrophobicContact CG-CZ3 4.26Å; F134-W320 HydrophobicContact CD1-CH2 4.3Å; F134-W320 AromaticContact CE1-CH2 3.62Å; F134-W320 HydrophobicContact CE1-CH2 3.62Å; F134-W320 AromaticContact CE1-CZ3 3.94Å; F134-W320 HydrophobicContact CE1-CZ3 3.94Å; F134-W320 HydrophobicContact CZ-CH2 4.02Å; M316-W320 HydrophobicContact CE-CH2 3.64Å; M316-W320 HydrophobicContact CE-CZ2 3.27Å; M316-W320 HydrophobicContact CG-CZ2 4.22Å; M316-W320 PolarHBondContact O-N 3.43Å; M316-W320 HydrophobicContact SD-CZ2 3.76Å; M317-W320 HydrophobicContact CB-CE3 4.37Å; M317-W320 HydrophobicContact CG-CD2 4.45Å; M317-W320 HydrophobicContact CG-CE3 3.76Å; M317-W320 HydrophobicContact CG-CZ3 3.83Å; M317-W320 WeakPolarHBondContact O-CB 3.31Å; M317-W320 PolarHBondContact O-N 3.1Å; W320-N322 PolarHBondContact O-N 3.38Å; W320-D324 WeakPolarHBondContact CA-OD1 3.5Å; W320-D324 VanDerWaalsContact CD1-OD1 3.23Å
321A95.3Very high97.5Very high90 Ų9057.6 Ų57.674%0.74431%0.314SS*.THydrogen-bonded Turntrans-71.6-13.417600000113.1M317 A318 D319M317-A321 PolarHBondContact O-N 3.01Å; A318-A321 PolarHBondContact O-N 3.02Å; D319-A321 VanDerWaalsContact C-N 3.29Å; D319-A321 PolarHBondContact O-N 3.14Å
322N97.3Very high97.5Very high95 Ų9557.7 Ų57.751%0.50832%0.315SS..THydrogen-bonded Turntrans-110.338.9177.5-170.847.4000111.2A318 D319 W320 D324 K325A318-N322 WeakPolarHBondContact O-CB 3.2Å; A318-N322 PolarHBondContact O-N 3.43Å; D319-N322 CarbonylContact O-C 3.24Å; D319-N322 VanDerWaalsContact O-C 3.24Å; D319-N322 WeakPolarHBondContact O-CA 3.23Å; D319-N322 PolarHBondContact O-N 3.5Å; W320-N322 PolarHBondContact O-N 3.38Å; N322-D324 VanDerWaalsContact C-N 3.27Å; N322-D324 PolarHBondContact O-N 3.19Å; N322-K325 WeakPolarHBondContact ND2-CB 3.49Å; N322-K325 WeakPolarHBondContact O-CB 3.28Å; N322-K325 PolarHBondContact O-N 3.41Å
323D96.6Very high97.5Very high136 Ų13661.6 Ų61.673%0.72733%0.333SS*.THydrogen-bonded Turntrans53.338.7176.2-61-60.1000114.1D319 K325D319-D323 PolarHBondContact O-N 2.72Å; D323-K325 PolarHBondContact O-N 3.43Å
324D96.6Very high97.5Very high30 Ų3061.7 Ų61.716%0.1633%0.334CS..THydrogen-bonded Turntrans56.832.7177.6-57.2-47.3000113.2K109 D319 W320 N322 K326 L327 L328K109-D324 IonicContact NZ-OD1 3.49Å; K109-D324 PolarHBondContact NZ-OD1 2.98Å; K109-D324 IonicContact NZ-OD2 3.08Å; K109-D324 PolarHBondContact NZ-OD2 3.19Å; D319-D324 WeakPolarHBondContact O-CA 3.36Å; D319-D324 PolarHBondContact O-N 3.42Å; W320-D324 WeakPolarHBondContact CA-OD1 3.5Å; W320-D324 VanDerWaalsContact CD1-OD1 3.23Å; N322-D324 VanDerWaalsContact C-N 3.27Å; N322-D324 PolarHBondContact O-N 3.19Å; D324-K326 PolarHBondContact O-N 3.4Å; D324-L327 HydrophobicContact CB-CB 4.2Å; D324-L327 PolarHBondContact O-N 3.15Å; D324-L328 HydrophobicContact CB-CD1 4.23Å; D324-L328 HydrophobicContact CB-CG 4.04Å; D324-L328 WeakPolarHBondContact O-CB 3.33Å; D324-L328 VanDerWaalsContact O-CG 3.28Å; D324-L328 WeakPolarHBondContact O-CG 3.27Å; D324-L328 PolarHBondContact O-N 2.83Å
325K98.3Very high97.6Very high128 Ų12860.3 Ų60.356%0.55733%0.331SS*.Hα-helixtrans-57-46.7-169.3-179.560.4-176.3173.50112.8D319 N322 D323 T329D319-K325 PolarHBondContact OD1-N 3.45Å; N322-K325 WeakPolarHBondContact ND2-CB 3.49Å; N322-K325 WeakPolarHBondContact O-CB 3.28Å; N322-K325 PolarHBondContact O-N 3.41Å; D323-K325 PolarHBondContact O-N 3.43Å; K325-T329 WeakPolarHBondContact O-CB 3.42Å; K325-T329 PolarHBondContact O-N 3.44Å; K325-T329 VanDerWaalsContact O-N 3.17Å; K325-T329 PolarHBondContact O-OG1 2.89Å
326K97.9Very high97.6Very high87 Ų8765.4 Ų65.438%0.37835%0.345SS..Hα-helixtrans-70.9-46.6-179.8-66.2169.561.7-171.50110.4D319 D324 L328 T329 W330 Y419D319-K326 VanDerWaalsContact OD1-CB 3.32Å; D319-K326 WeakPolarHBondContact OD1-CB 3.49Å; D319-K326 WeakPolarHBondContact OD1-CG 3.3Å; D319-K326 PolarHBondContact OD1-N 3.31Å; D319-K326 PolarHBondContact OD2-N 2.95Å; D324-K326 PolarHBondContact O-N 3.4Å; K326-L328 PolarHBondContact O-N 2.95Å; K326-T329 WeakPolarHBondContact O-CB 3.41Å; K326-T329 PolarHBondContact O-N 3.48Å; K326-T329 VanDerWaalsContact O-N 3.15Å; K326-W330 HydrophobicContact CB-CD2 4.5Å; K326-W330 HydrophobicContact CB-CE3 4.02Å; K326-W330 HydrophobicContact CB-CH2 4.23Å; K326-W330 HydrophobicContact CB-CZ3 3.88Å; K326-W330 HydrophobicContact CD-CH2 4.5Å; K326-W330 PolarHBondContact O-N 3.22Å; K326-Y419 HydrophobicContact CB-CE2 4.2Å; K326-Y419 WeakPolarHBondContact CE-OH 3.32Å; K326-Y419 PolarHBondContact NZ-OH 3.29Å
327L97.7Very high97.7Very high2 Ų267 Ų671%0.0136%0.355CS..Hα-helixtrans-52.7-53.3177.4-171.7156.9000111.3D319 D324 T329 W330 R331 D415 Y419D319-L327 PolarHBondContact OD2-N 2.78Å; D324-L327 HydrophobicContact CB-CB 4.2Å; D324-L327 PolarHBondContact O-N 3.15Å; L327-T329 VanDerWaalsContact C-N 3.28Å; L327-T329 PolarHBondContact O-N 3.26Å; L327-W330 PolarHBondContact O-N 3.42Å; L327-R331 VanDerWaalsContact CD2-CZ 3.47Å; L327-R331 VanDerWaalsContact O-CB 3.3Å; L327-R331 WeakPolarHBondContact O-CB 3.21Å; L327-R331 PolarHBondContact O-N 3.47Å; L327-D415 HydrophobicContact CD1-CB 3.99Å; L327-Y419 HydrophobicContact CB-CD2 4.07Å; L327-Y419 HydrophobicContact CD1-CD2 4.46Å
328L98.1Very high97.8Very high83 Ų8366.5 Ų66.544%0.43536%0.36SS..Hα-helixtrans-65.2-33.6-178.3-66.7177.2000112.4D324 K326 E332D324-L328 HydrophobicContact CB-CD1 4.23Å; D324-L328 HydrophobicContact CB-CG 4.04Å; D324-L328 WeakPolarHBondContact O-CB 3.33Å; D324-L328 VanDerWaalsContact O-CG 3.28Å; D324-L328 WeakPolarHBondContact O-CG 3.27Å; D324-L328 PolarHBondContact O-N 2.83Å; K326-L328 PolarHBondContact O-N 2.95Å; L328-E332 WeakPolarHBondContact O-CB 3.36Å; L328-E332 PolarHBondContact O-N 3.3Å
329T98.6Very high97.8Very high44 Ų4463.6 Ų63.627%0.2734%0.337SS..Hα-helixtrans-66.9-50.1176.8-60.10000110.7K325 K326 L327 R331 E332 E333K325-T329 WeakPolarHBondContact O-CB 3.42Å; K325-T329 PolarHBondContact O-N 3.44Å; K325-T329 VanDerWaalsContact O-N 3.17Å; K325-T329 PolarHBondContact O-OG1 2.89Å; K326-T329 WeakPolarHBondContact O-CB 3.41Å; K326-T329 PolarHBondContact O-N 3.48Å; K326-T329 VanDerWaalsContact O-N 3.15Å; L327-T329 VanDerWaalsContact C-N 3.28Å; L327-T329 PolarHBondContact O-N 3.26Å; T329-R331 VanDerWaalsContact C-N 3.34Å; T329-R331 PolarHBondContact O-N 3.35Å; T329-E332 PolarHBondContact O-N 3.49Å; T329-E333 WeakPolarHBondContact O-CG 3.33Å; T329-E333 PolarHBondContact O-N 3.34Å
330W98.6Very high97.9Very high41 Ų4164.5 Ų64.516%0.15534%0.341CS..Hα-helixtrans-65.8-35.6177.7-69.6-39.5000112.9K326 L327 E333 T334 Y419 Y422 L423 Y426K326-W330 HydrophobicContact CB-CD2 4.5Å; K326-W330 HydrophobicContact CB-CE3 4.02Å; K326-W330 HydrophobicContact CB-CH2 4.23Å; K326-W330 HydrophobicContact CB-CZ3 3.88Å; K326-W330 HydrophobicContact CD-CH2 4.5Å; K326-W330 PolarHBondContact O-N 3.22Å; L327-W330 PolarHBondContact O-N 3.42Å; W330-E333 PolarHBondContact O-N 3.35Å; W330-T334 VanDerWaalsContact O-CB 3.3Å; W330-T334 WeakPolarHBondContact O-CB 3.32Å; W330-T334 PolarHBondContact O-N 3.24Å; W330-T334 PolarHBondContact O-OG1 2.94Å; W330-Y419 HydrophobicContact CZ3-CD2 4.24Å; W330-Y419 HydrophobicContact CZ3-CE1 4.46Å; W330-Y419 AromaticContact CZ3-CE2 3.88Å; W330-Y419 HydrophobicContact CZ3-CE2 3.88Å; W330-Y422 HydrophobicContact CB-CD1 4.12Å; W330-Y422 HydrophobicContact CB-CD2 3.43Å; W330-Y422 VanDerWaalsContact CB-CD2 3.43Å; W330-Y422 HydrophobicContact CB-CE2 3.97Å; W330-Y422 HydrophobicContact CB-CG 3.53Å; W330-Y422 HydrophobicContact CD2-CG 4.46Å; W330-Y422 HydrophobicContact CE3-CD2 4.18Å; W330-Y422 HydrophobicContact CE3-CG 4.28Å; W330-Y422 HydrophobicContact CG-CD2 4.36Å; W330-Y422 HydrophobicContact CG-CG 4.24Å; W330-L423 HydrophobicContact CH2-CD1 4.1Å; W330-Y426 HydrophobicContact CB-CE2 3.84Å; W330-Y426 AromaticContact CD1-CD2 3.93Å; W330-Y426 AromaticContact CD1-CE1 3.62Å; W330-Y426 AromaticContact CD1-CE2 3.53Å; W330-Y426 AromaticContact CD1-CZ 3.34Å; W330-Y426 HydrophobicContact CG-CD2 4.22Å; W330-Y426 AromaticContact CG-CE2 3.79Å; W330-Y426 HydrophobicContact CG-CE2 3.79Å; W330-Y426 AromaticContact CG-CZ 3.99Å; W330-Y426 AromaticContact NE1-CD1 3.99Å; W330-Y426 PolarHBondContact O-OH 3.39Å
331R98.4Very high98Very high94 Ų9467.6 Ų67.636%0.35536%0.363SS..Hα-helixtrans-61.3-45.3172.4-172.9-172.2-73.4165.3-10.7111.4L327 T329 T334 G335 D415 E418 Y422L327-R331 VanDerWaalsContact CD2-CZ 3.47Å; L327-R331 VanDerWaalsContact O-CB 3.3Å; L327-R331 WeakPolarHBondContact O-CB 3.21Å; L327-R331 PolarHBondContact O-N 3.47Å; T329-R331 VanDerWaalsContact C-N 3.34Å; T329-R331 PolarHBondContact O-N 3.35Å; R331-T334 PolarHBondContact O-N 3.49Å; R331-G335 PolarHBondContact O-N 2.94Å; R331-D415 IonicContact NH2-OD1 3.46Å; R331-D415 PolarHBondContact NH2-OD1 2.68Å; R331-E418 WeakPolarHBondContact CG-OE1 3.27Å; R331-E418 IonicContact CZ-OE1 2.7Å; R331-E418 IonicContact CZ-OE2 2.68Å; R331-E418 IonicContact NE-OE1 2.71Å; R331-E418 PolarHBondContact NE-OE1 2.58Å; R331-E418 IonicContact NE-OE2 3.5Å; R331-E418 PolarHBondContact NE-OE2 3.33Å; R331-E418 IonicContact NH2-OE1 2.85Å; R331-E418 IonicContact NH2-OE2 3.5Å; R331-E418 PolarHBondContact NH2-OE2 2.88Å; R331-Y422 WeakPolarHBondContact CA-OH 3.37Å; R331-Y422 HydrophobicContact CB-CE2 3.99Å
332E98.4Very high98.1Very high118 Ų11863.8 Ų63.855%0.55133%0.331SS*.Hα-helixtrans-64.1-44.3177.5-176.5-177.8179.600112L328 T329 G335 K336L328-E332 WeakPolarHBondContact O-CB 3.36Å; L328-E332 PolarHBondContact O-N 3.3Å; T329-E332 PolarHBondContact O-N 3.49Å; E332-G335 PolarHBondContact O-N 3.13Å; E332-K336 VanDerWaalsContact CD-NZ 3.33Å; E332-K336 HydrophobicContact CG-CD 4.49Å; E332-K336 WeakPolarHBondContact O-CG 3.44Å; E332-K336 PolarHBondContact O-N 2.88Å; E332-K336 WeakPolarHBondContact OE1-CE 3.44Å; E332-K336 IonicContact OE1-NZ 3.39Å; E332-K336 PolarHBondContact OE1-NZ 3.32Å
333E98.5Very high98.1Very high88 Ų8863 Ų6341%0.41133%0.332SS..Hα-helixtrans-63.9-43.3176.8-75.2174.9-176.300112T329 W330 G335 K336 T337 Y426T329-E333 WeakPolarHBondContact O-CG 3.33Å; T329-E333 PolarHBondContact O-N 3.34Å; W330-E333 PolarHBondContact O-N 3.35Å; E333-G335 VanDerWaalsContact C-N 3.3Å; E333-G335 PolarHBondContact O-N 3.01Å; E333-K336 PolarHBondContact O-N 3.33Å; E333-T337 PolarHBondContact O-N 3.21Å; E333-Y426 WeakPolarHBondContact CB-OH 3.44Å; E333-Y426 WeakPolarHBondContact OE2-CE1 3.36Å; E333-Y426 VanDerWaalsContact OE2-CZ 3.27Å; E333-Y426 PolarHBondContact OE2-OH 3.43Å
334T98.4Very high98Very high4 Ų463.7 Ų63.73%0.02533%0.33CS..Hα-helixtrans-58.4-43.8175.4-60.10000110.9W330 R331 K336 T337 L406 Y422W330-T334 VanDerWaalsContact O-CB 3.3Å; W330-T334 WeakPolarHBondContact O-CB 3.32Å; W330-T334 PolarHBondContact O-N 3.24Å; W330-T334 PolarHBondContact O-OG1 2.94Å; R331-T334 PolarHBondContact O-N 3.49Å; T334-K336 PolarHBondContact O-N 2.94Å; T334-K336 VanDerWaalsContact O-N 3.1Å; T334-T337 WeakPolarHBondContact O-CB 3.49Å; T334-T337 WeakPolarHBondContact O-CG2 3.49Å; T334-T337 PolarHBondContact O-N 3.45Å; T334-T337 VanDerWaalsContact O-N 3.1Å; T334-T337 PolarHBondContact O-OG1 3.3Å; T334-L406 HydrophobicContact CG2-CB 4.19Å; T334-L406 HydrophobicContact CG2-CD1 4.09Å; T334-Y422 HydrophobicContact CG2-CE1 4.35Å; T334-Y422 VanDerWaalsContact OG1-CE1 3.26Å; T334-Y422 WeakPolarHBondContact OG1-CE1 3.46Å
335G98Very high97.8Very high42 Ų4266 Ų6643%0.43334%0.337SS..THydrogen-bonded Turntrans-63-13176.100000115.3R331 E332 E333R331-G335 PolarHBondContact O-N 2.94Å; E332-G335 PolarHBondContact O-N 3.13Å; E333-G335 VanDerWaalsContact C-N 3.3Å; E333-G335 PolarHBondContact O-N 3.01Å
336K98.5Very high97.6Very high135 Ų13569.1 Ų69.159%0.58735%0.354SS*.THydrogen-bonded Turntrans-104.9-0.2178.3-67170.4-174.3170.90113.2E332 E333 T334E332-K336 VanDerWaalsContact CD-NZ 3.33Å; E332-K336 HydrophobicContact CG-CD 4.49Å; E332-K336 WeakPolarHBondContact O-CG 3.44Å; E332-K336 PolarHBondContact O-N 2.88Å; E332-K336 WeakPolarHBondContact OE1-CE 3.44Å; E332-K336 IonicContact OE1-NZ 3.39Å; E332-K336 PolarHBondContact OE1-NZ 3.32Å; E333-K336 PolarHBondContact O-N 3.33Å; T334-K336 PolarHBondContact O-N 2.94Å; T334-K336 VanDerWaalsContact O-N 3.1Å
337T98.7Very high97.4Very high33 Ų3366.1 Ų66.120%0.20235%0.348CS..SBendtrans-64.9154.3179.161.10000111.3L234 E333 T334 F339 E340 T341L234-T337 HydrophobicContact CD1-CG2 4.38Å; L234-T337 HydrophobicContact CD2-CG2 3.77Å; E333-T337 PolarHBondContact O-N 3.21Å; T334-T337 WeakPolarHBondContact O-CB 3.49Å; T334-T337 WeakPolarHBondContact O-CG2 3.49Å; T334-T337 PolarHBondContact O-N 3.45Å; T334-T337 VanDerWaalsContact O-N 3.1Å; T334-T337 PolarHBondContact O-OG1 3.3Å; T337-F339 VanDerWaalsContact C-N 3.33Å; T337-F339 PolarHBondContact O-N 3.46Å; T337-E340 PolarHBondContact O-N 2.97Å; T337-E340 VanDerWaalsContact OG1-CB 3.3Å; T337-E340 WeakPolarHBondContact OG1-CB 3.39Å; T337-E340 PolarHBondContact OG1-N 3.1Å; T337-T341 PolarHBondContact O-N 2.64Å; T337-T341 VanDerWaalsContact O-N 3.14Å; T337-T341 PolarHBondContact O-OG1 3.24Å
338A98.5Very high97.3Very high51 Ų5175.1 Ų75.142%0.42139%0.387SS..Hα-helixtrans-62.3-41.3-177.600000111.5F237 E340 T341 A342F237-A338 HydrophobicContact CD1-CB 4.26Å; F237-A338 VanDerWaalsContact CE1-C 3.49Å; F237-A338 HydrophobicContact CE1-CB 3.6Å; A338-E340 PolarHBondContact O-N 2.92Å; A338-T341 PolarHBondContact O-N 3.27Å; A338-T341 PolarHBondContact O-OG1 3.41Å; A338-A342 WeakPolarHBondContact O-CA 3.36Å; A338-A342 VanDerWaalsContact O-CB 3.23Å; A338-A342 WeakPolarHBondContact O-CB 3.44Å; A338-A342 PolarHBondContact O-N 3.08Å
339F98.6Very high97.3Very high0 Ų071.7 Ų71.70%037%0.369CS..Hα-helixtrans-56.9-48.3172.7175.9-113.6000112.2L234 F237 E251 I254 Q255 T337 T341 A342 R405 L406L234-F339 HydrophobicContact CD2-CB 4.27Å; F237-F339 HydrophobicContact CB-CB 3.98Å; F237-F339 HydrophobicContact CB-CD2 3.97Å; F237-F339 HydrophobicContact CB-CG 4.28Å; F237-F339 HydrophobicContact CD1-CB 3.77Å; F237-F339 HydrophobicContact CD2-CB 4.29Å; F237-F339 AromaticContact CD2-CD2 3.74Å; F237-F339 HydrophobicContact CD2-CD2 3.74Å; F237-F339 HydrophobicContact CE1-CB 4.38Å; F237-F339 HydrophobicContact CE2-CD2 4.45Å; F237-F339 HydrophobicContact CG-CB 3.72Å; F237-F339 AromaticContact CG-CD2 3.86Å; F237-F339 HydrophobicContact CG-CD2 3.86Å; F237-F339 HydrophobicContact CG-CG 4.25Å; E251-F339 HydrophobicContact CG-CD2 4.18Å; E251-F339 HydrophobicContact CG-CE2 4.02Å; I254-F339 HydrophobicContact CB-CD2 4.34Å; I254-F339 HydrophobicContact CB-CE2 3.71Å; I254-F339 HydrophobicContact CB-CZ 4.3Å; I254-F339 HydrophobicContact CG2-CD2 4.29Å; I254-F339 HydrophobicContact CG2-CE2 3.68Å; I254-F339 HydrophobicContact CG2-CZ 3.86Å; Q255-F339 HydrophobicContact CB-CZ 4.33Å; T337-F339 VanDerWaalsContact C-N 3.33Å; T337-F339 PolarHBondContact O-N 3.46Å; F339-T341 PolarHBondContact O-N 3.12Å; F339-A342 PolarHBondContact O-N 2.99Å; F339-R405 HydrophobicContact CE1-CB 4.11Å; F339-R405 HydrophobicContact CE1-CG 4.4Å; F339-R405 HydrophobicContact CZ-CB 4.49Å; F339-R405 HydrophobicContact CZ-CG 4.36Å; F339-R405 PolarHBondContact O-NH1 2.8Å; F339-L406 HydrophobicContact CD1-CD1 4.1Å; F339-L406 HydrophobicContact CD1-CG 4.06Å; F339-L406 HydrophobicContact CE1-CD1 4.46Å; F339-L406 HydrophobicContact CE1-CD2 4.43Å; F339-L406 HydrophobicContact CE1-CG 3.95Å
340E98.4Very high97.2Very high25 Ų2570.6 Ų70.612%0.11737%0.367CS..Hα-helixtrans-68-26.3-174.2-156.862.1-163.500112.7T337 A338 R405 L406 Y407T337-E340 PolarHBondContact O-N 2.97Å; T337-E340 VanDerWaalsContact OG1-CB 3.3Å; T337-E340 WeakPolarHBondContact OG1-CB 3.39Å; T337-E340 PolarHBondContact OG1-N 3.1Å; A338-E340 PolarHBondContact O-N 2.92Å; E340-R405 VanDerWaalsContact C-NH1 3.3Å; E340-R405 PolarHBondContact O-NH1 2.76Å; E340-R405 WeakPolarHBondContact OE1-CB 3.41Å; E340-R405 VanDerWaalsContact OE2-CB 3.3Å; E340-R405 WeakPolarHBondContact OE2-CB 3.48Å; E340-L406 PolarHBondContact OE1-N 3.17Å; E340-L406 WeakPolarHBondContact OE2-CB 3.48Å; E340-L406 PolarHBondContact OE2-N 2.83Å; E340-L406 VanDerWaalsContact OE2-N 3.08Å; E340-Y407 WeakPolarHBondContact OE1-CA 3.5Å; E340-Y407 WeakPolarHBondContact OE1-CB 3.39Å; E340-Y407 PolarHBondContact OE1-N 3.2Å
341T98.4Very high97.2Very high93 Ų9374.1 Ų74.157%0.57139%0.385SS*.Hα-helixtrans-104.5-3-179.662.20000114.5T337 A338 F339T337-T341 PolarHBondContact O-N 2.64Å; T337-T341 VanDerWaalsContact O-N 3.14Å; T337-T341 PolarHBondContact O-OG1 3.24Å; A338-T341 PolarHBondContact O-N 3.27Å; A338-T341 PolarHBondContact O-OG1 3.41Å; F339-T341 PolarHBondContact O-N 3.12Å
342A98Very high97.2Very high10 Ų1072.9 Ų72.98%0.08338%0.383CS..PPolyproline II helixtrans-61.8149.3-175.900000112.3F237 E251 A338 F339 R405F237-A342 HydrophobicContact CE2-CB 3.9Å; F237-A342 HydrophobicContact CZ-CB 3.69Å; E251-A342 HydrophobicContact CB-CB 3.73Å; E251-A342 HydrophobicContact CG-CB 3.87Å; A338-A342 WeakPolarHBondContact O-CA 3.36Å; A338-A342 VanDerWaalsContact O-CB 3.23Å; A338-A342 WeakPolarHBondContact O-CB 3.44Å; A338-A342 PolarHBondContact O-N 3.08Å; F339-A342 PolarHBondContact O-N 2.99Å; A342-R405 VanDerWaalsContact O-CZ 3.28Å; A342-R405 PolarHBondContact O-NH1 3.28Å; A342-R405 PolarHBondContact O-NH2 3.22Å
343P97.3Very high97.2Very high80 Ų8070.5 Ų70.552%0.51937%0.372SS..PPolyproline II helixtrans-63.2150.9175.727.2-34.7000111.4A248A248-P343 WeakPolarHBondContact CA-O 3.22Å; A248-P343 HydrophobicContact CB-CB 4.31Å; A248-P343 HydrophobicContact CB-CG 3.89Å
344Q93.3Very high97.2Very high149 Ų14967.2 Ų67.270%0.69636%0.356SS*.PPolyproline II helixtrans-81.6133.5175.9-70.2-174.6-1200111.1
345Y93.7Very high97.2Very high79 Ų7967 Ų6731%0.3136%0.355SS..PPolyproline II helixtrans-84.2123.6173.3-179.1-111.1000112.3A248 Y249 K252 G347 I349A248-Y345 VanDerWaalsContact C-CB 3.47Å; A248-Y345 HydrophobicContact CB-CD2 4.34Å; A248-Y345 VanDerWaalsContact O-CB 3.23Å; A248-Y345 WeakPolarHBondContact O-CB 3.38Å; Y249-Y345 HydrophobicContact CD2-CD1 4.02Å; Y249-Y345 AromaticContact CD2-CE1 3.61Å; Y249-Y345 HydrophobicContact CD2-CE1 3.61Å; Y249-Y345 HydrophobicContact CD2-CE2 4.19Å; Y249-Y345 HydrophobicContact CD2-CG 4.48Å; Y249-Y345 AromaticContact CD2-CZ 3.71Å; Y249-Y345 HydrophobicContact CE2-CE1 4.02Å; K252-Y345 HydrophobicContact CD-CD1 3.66Å; K252-Y345 HydrophobicContact CD-CG 4.36Å; K252-Y345 WeakPolarHBondContact CD-O 3.42Å; K252-Y345 PolarHBondContact NZ-O 3.03Å; Y345-G347 WeakPolarHBondContact CD1-O 3.4Å; Y345-G347 WeakPolarHBondContact CE1-O 3.47Å; Y345-I349 HydrophobicContact CE1-CG1 4.42Å
346E92.9Very high97.2Very high194 Ų19467.2 Ų67.291%0.90735%0.346SS*.  trans-79.5-23-179.3-62.9-172.416600113.3
347G94.2Very high97.2Very high24 Ų2462.8 Ų62.825%0.24733%0.326CS..SBendtrans-69.2161.8-178.100000113.6K252 Y345K252-G347 PolarHBondContact NZ-O 3.31Å; Y345-G347 WeakPolarHBondContact CD1-O 3.4Å; Y345-G347 WeakPolarHBondContact CE1-O 3.47Å
348K95.8Very high97.2Very high191 Ų19161.2 Ų61.283%0.8332%0.317SS*.  trans-87.9135.2178.2-173.6-179.9178.7-175.80110.5
349I97.6Very high97.2Very high10 Ų1058.8 Ų58.85%0.05130%0.297CS..  trans-107.4127.3165.1-57.4177.6000106.5Y249 K252 L253 Y345 E353 Y354Y249-I349 HydrophobicContact CD2-CD1 4.24Å; Y249-I349 HydrophobicContact CD2-CG1 4.44Å; Y249-I349 HydrophobicContact CE1-CD1 4.37Å; Y249-I349 HydrophobicContact CE2-CD1 3.74Å; Y249-I349 HydrophobicContact CE2-CG1 3.68Å; K252-I349 HydrophobicContact CB-CD1 4.16Å; K252-I349 HydrophobicContact CD-CD1 4.1Å; K252-I349 HydrophobicContact CD-CG1 4.37Å; K252-I349 HydrophobicContact CG-CD1 4.07Å; L253-I349 HydrophobicContact CB-CD1 4.34Å; L253-I349 HydrophobicContact CD1-CD1 4.33Å; L253-I349 HydrophobicContact CD1-CG2 4.4Å; Y345-I349 HydrophobicContact CE1-CG1 4.42Å; I349-E353 HydrophobicContact CG2-CB 3.73Å; I349-Y354 HydrophobicContact CB-CE1 4.2Å; I349-Y354 HydrophobicContact CB-CE2 3.89Å; I349-Y354 HydrophobicContact CD1-CE1 4.16Å; I349-Y354 HydrophobicContact CG2-CD1 4.17Å; I349-Y354 HydrophobicContact CG2-CD2 3.97Å; I349-Y354 HydrophobicContact CG2-CE1 3.87Å; I349-Y354 HydrophobicContact CG2-CE2 3.66Å; I349-Y354 HydrophobicContact CG2-CG 4.22Å
350G97.4Very high97.3Very high22 Ų2258.8 Ų58.823%0.22730%0.297CS..  trans-68.6152.4176.900000112.2Q352 E353 Y354G350-Q352 VanDerWaalsContact C-N 3.35Å; G350-Q352 PolarHBondContact O-N 3.39Å; G350-E353 PolarHBondContact N-OE1 3.45Å; G350-E353 WeakPolarHBondContact O-CB 3.46Å; G350-E353 PolarHBondContact O-N 3.38Å; G350-Y354 VanDerWaalsContact O-CD2 3.32Å; G350-Y354 WeakPolarHBondContact O-CD2 3.26Å
351E97.5Very high97.3Very high114 Ų11457.6 Ų57.653%0.53329%0.291SS..Hα-helixtrans-52.6-50.8-179.4-173.7-162.9136.500112.2T260 R276 E353 Y354T260-E351 HydrophobicContact CG2-CG 3.86Å; R276-E351 IonicContact CZ-OE1 3.32Å; R276-E351 IonicContact NH1-OE1 3.79Å; R276-E351 PolarHBondContact NH1-OE1 3.24Å; R276-E351 IonicContact NH2-OE1 2.74Å; R276-E351 PolarHBondContact NH2-OE1 3.05Å; E351-E353 PolarHBondContact O-N 3.41Å; E351-Y354 PolarHBondContact O-N 3.05Å
352Q98.3Very high97.3Very high68 Ų6853.2 Ų53.232%0.31826%0.264SS..Hα-helixtrans-66-25.6-179.6-168.46044.100112.7R276 G350 Y354 F355 D356R276-Q352 PolarHBondContact O-NE2 2.76Å; G350-Q352 VanDerWaalsContact C-N 3.35Å; G350-Q352 PolarHBondContact O-N 3.39Å; Q352-Y354 VanDerWaalsContact C-N 3.27Å; Q352-Y354 PolarHBondContact O-N 3.46Å; Q352-F355 PolarHBondContact O-N 2.92Å; Q352-F355 VanDerWaalsContact O-N 3.14Å; Q352-D356 PolarHBondContact NE2-OD1 2.83Å; Q352-D356 VanDerWaalsContact O-CG 3.25Å; Q352-D356 PolarHBondContact O-N 2.85Å
353E98.5Very high97.3Very high69 Ų6952.7 Ų52.732%0.32226%0.26SS..Hα-helixtrans-66-31177.1-64.8-176.1-103.600112.1I349 G350 E351 F355 K357I349-E353 HydrophobicContact CG2-CB 3.73Å; G350-E353 PolarHBondContact N-OE1 3.45Å; G350-E353 WeakPolarHBondContact O-CB 3.46Å; G350-E353 PolarHBondContact O-N 3.38Å; E351-E353 PolarHBondContact O-N 3.41Å; E353-F355 VanDerWaalsContact C-N 3.32Å; E353-K357 HydrophobicContact CB-CD 4.38Å; E353-K357 WeakPolarHBondContact O-CB 3.46Å; E353-K357 WeakPolarHBondContact O-CG 3.42Å; E353-K357 PolarHBondContact O-N 3.48Å; E353-K357 IonicContact OE2-NZ 3.07Å; E353-K357 PolarHBondContact OE2-NZ 3.3Å
354Y98.7Very high97.4Very high18 Ų1849 Ų497%0.07124%0.236CC..Hα-helixtrans-66.2-35.7173.9-66.3-77.7000111.9L253 F256 T260 I349 G350 E351 Q352 G358L253-Y354 HydrophobicContact CD1-CD1 3.81Å; L253-Y354 HydrophobicContact CD1-CE1 4.23Å; F256-Y354 HydrophobicContact CB-CE1 3.77Å; F256-Y354 WeakPolarHBondContact CB-OH 3.43Å; T260-Y354 HydrophobicContact CG2-CD2 3.96Å; T260-Y354 HydrophobicContact CG2-CG 4.22Å; I349-Y354 HydrophobicContact CB-CE1 4.2Å; I349-Y354 HydrophobicContact CB-CE2 3.89Å; I349-Y354 HydrophobicContact CD1-CE1 4.16Å; I349-Y354 HydrophobicContact CG2-CD1 4.17Å; I349-Y354 HydrophobicContact CG2-CD2 3.97Å; I349-Y354 HydrophobicContact CG2-CE1 3.87Å; I349-Y354 HydrophobicContact CG2-CE2 3.66Å; I349-Y354 HydrophobicContact CG2-CG 4.22Å; G350-Y354 VanDerWaalsContact O-CD2 3.32Å; G350-Y354 WeakPolarHBondContact O-CD2 3.26Å; E351-Y354 PolarHBondContact O-N 3.05Å; Q352-Y354 VanDerWaalsContact C-N 3.27Å; Q352-Y354 PolarHBondContact O-N 3.46Å; Y354-G358 VanDerWaalsContact O-CA 3.25Å; Y354-G358 WeakPolarHBondContact O-CA 3.01Å; Y354-G358 PolarHBondContact O-N 3.38Å
355F98.7Very high97.7Very high1 Ų142 Ų420%0.00420%0.204CC..Hα-helixtrans-69.4-53.3173.2-72-89.7000110.6T260 I261 A264 M273 R276 L277 Q352 E353 K357 G358 I362T260-F355 HydrophobicContact CG2-CD2 4.31Å; T260-F355 HydrophobicContact CG2-CE2 3.77Å; I261-F355 HydrophobicContact CB-CE1 4.1Å; I261-F355 HydrophobicContact CB-CZ 4.42Å; I261-F355 HydrophobicContact CG2-CD1 3.98Å; I261-F355 HydrophobicContact CG2-CE1 3.95Å; I261-F355 HydrophobicContact CG2-CG 4.32Å; I261-F355 HydrophobicContact CG2-CZ 4.27Å; A264-F355 HydrophobicContact CB-CE1 4.1Å; A264-F355 HydrophobicContact CB-CZ 3.85Å; M273-F355 HydrophobicContact CG-CE1 4.45Å; R276-F355 HydrophobicContact CB-CD1 3.38Å; R276-F355 HydrophobicContact CB-CD2 4.46Å; R276-F355 HydrophobicContact CB-CE1 3.43Å; R276-F355 VanDerWaalsContact CB-CE1 3.43Å; R276-F355 HydrophobicContact CB-CE2 4.49Å; R276-F355 HydrophobicContact CB-CG 3.95Å; R276-F355 HydrophobicContact CB-CZ 4.02Å; R276-F355 HydrophobicContact CG-CD1 4.18Å; R276-F355 HydrophobicContact CG-CE1 3.71Å; R276-F355 HydrophobicContact CG-CZ 3.9Å; L277-F355 HydrophobicContact CD2-CB 4.2Å; L277-F355 WeakPolarHBondContact CD2-O 3.36Å; Q352-F355 PolarHBondContact O-N 2.92Å; Q352-F355 VanDerWaalsContact O-N 3.14Å; E353-F355 VanDerWaalsContact C-N 3.32Å; F355-K357 VanDerWaalsContact C-N 3.34Å; F355-K357 PolarHBondContact O-N 3.44Å; F355-G358 PolarHBondContact O-N 2.95Å; F355-G358 VanDerWaalsContact O-N 3.17Å; F355-I362 HydrophobicContact CB-CD1 4.32Å; F355-I362 HydrophobicContact CD1-CD1 3.79Å; F355-I362 HydrophobicContact CG-CD1 4.48Å
356D98.6Very high97.9Very high45 Ų4538.4 Ų38.424%0.24119%0.189CC..Hα-helixtrans-66.5-35.2-172.7-63.2-9.6000112.4Q352 A447Q352-D356 PolarHBondContact NE2-OD1 2.83Å; Q352-D356 VanDerWaalsContact O-CG 3.25Å; Q352-D356 PolarHBondContact O-N 2.85Å; D356-A447 HydrophobicContact CB-CB 3.82Å; D356-A447 WeakPolarHBondContact O-CA 3.45Å
357K98.7Very high98.2Very high42 Ų4229.1 Ų29.118%0.18315%0.146CC..THydrogen-bonded Turntrans-92.9-5.5177.7-60.8174.2173.5166.80112.9Y249 L253 E353 F355 G445Y249-K357 HydrophobicContact CE1-CD 4.47Å; Y249-K357 PolarHBondContact OH-NZ 2.94Å; L253-K357 HydrophobicContact CD1-CB 4.17Å; L253-K357 HydrophobicContact CD1-CD 4.5Å; L253-K357 HydrophobicContact CD2-CB 4.1Å; E353-K357 HydrophobicContact CB-CD 4.38Å; E353-K357 WeakPolarHBondContact O-CB 3.46Å; E353-K357 WeakPolarHBondContact O-CG 3.42Å; E353-K357 PolarHBondContact O-N 3.48Å; E353-K357 IonicContact OE2-NZ 3.07Å; E353-K357 PolarHBondContact OE2-NZ 3.3Å; F355-K357 VanDerWaalsContact C-N 3.34Å; F355-K357 PolarHBondContact O-N 3.44Å; K357-G445 PolarHBondContact O-N 3.27Å
358G98.7Very high98.4Very high0 Ų028 Ų280%013%0.134CC..  trans-111.130.1-177.200000113.5Y354 F355 L360 M361 I362Y354-G358 VanDerWaalsContact O-CA 3.25Å; Y354-G358 WeakPolarHBondContact O-CA 3.01Å; Y354-G358 PolarHBondContact O-N 3.38Å; F355-G358 PolarHBondContact O-N 2.95Å; F355-G358 VanDerWaalsContact O-N 3.17Å; G358-L360 VanDerWaalsContact C-N 3.28Å; G358-L360 PolarHBondContact O-N 3.5Å; G358-M361 WeakPolarHBondContact O-CA 3.46Å; G358-M361 WeakPolarHBondContact O-CB 3.39Å; G358-M361 PolarHBondContact O-N 3.37Å; G358-I362 WeakPolarHBondContact O-CG1 3.26Å; G358-I362 PolarHBondContact O-N 3.15Å
359V98.9Very high98.6Very high0 Ų018.9 Ų18.90%010%0.095CC..Hα-helixtrans-53.2-45.8-179.1175.70000111.4L277 A281 R284 A285 L288 I362 A363 D443 I448L277-V359 HydrophobicContact CD2-CG2 4.39Å; A281-V359 HydrophobicContact CB-CG2 4.22Å; R284-V359 HydrophobicContact CB-CG1 4.44Å; R284-V359 HydrophobicContact CG-CG1 4.27Å; A285-V359 HydrophobicContact CB-CG1 3.93Å; L288-V359 HydrophobicContact CD1-CG1 4.1Å; V359-I362 PolarHBondContact O-N 3.38Å; V359-A363 WeakPolarHBondContact O-CB 3.29Å; V359-A363 PolarHBondContact O-N 3.23Å; V359-D443 WeakPolarHBondContact CB-O 3.46Å; V359-I448 HydrophobicContact CG1-CD1 4.15Å; V359-I448 HydrophobicContact CG2-CD1 4.13Å
360L98.9Very high98.6Very high0 Ų018.5 Ų18.50%09%0.093CC..Hα-helixtrans-67.5-37.2175177.760.9000112.8L288 L292 G358 I362 A363 M364 F435 M436 L439 D443 L444L288-L360 HydrophobicContact CD1-CD1 4.49Å; L292-L360 HydrophobicContact CD1-CD1 4.05Å; G358-L360 VanDerWaalsContact C-N 3.28Å; G358-L360 PolarHBondContact O-N 3.5Å; L360-I362 VanDerWaalsContact C-N 3.32Å; L360-I362 PolarHBondContact O-N 3.43Å; L360-A363 PolarHBondContact O-N 2.77Å; L360-M364 HydrophobicContact CD1-CE 4.11Å; L360-M364 HydrophobicContact CD1-CG 4.18Å; L360-M364 HydrophobicContact CD2-CE 3.96Å; L360-M364 HydrophobicContact CG-CE 3.95Å; L360-M364 HydrophobicContact CG-CG 4.35Å; L360-M364 HydrophobicContact CG-SD 4.31Å; L360-M364 WeakPolarHBondContact O-CB 3.44Å; L360-M364 WeakPolarHBondContact O-CG 3.41Å; L360-M364 PolarHBondContact O-N 3.03Å; L360-F435 HydrophobicContact CD1-CE1 3.7Å; L360-F435 HydrophobicContact CD1-CZ 4.05Å; L360-M436 HydrophobicContact CD2-CE 3.77Å; L360-M436 HydrophobicContact CD2-SD 3.85Å; L360-L439 HydrophobicContact CD2-CD1 3.59Å; L360-L439 HydrophobicContact CD2-CD2 4.14Å; L360-D443 WeakPolarHBondContact CB-O 3.29Å; L360-D443 PolarHBondContact N-O 3.33Å; L360-L444 HydrophobicContact CB-CB 4.39Å; L360-L444 HydrophobicContact CB-CD1 4.41Å; L360-L444 HydrophobicContact CD2-CD2 4.38Å
361M98.9Very high98.7Very high1 Ų117.8 Ų17.81%0.0058%0.083CC..Hα-helixtrans-61.2-44.3176.6-62.1172.870.400110.5I254 W258 I261 G358 M364 V365 L444I254-M361 HydrophobicContact CD1-CE 4.03Å; I254-M361 HydrophobicContact CD1-CG 4.42Å; I254-M361 HydrophobicContact CD1-SD 3.63Å; W258-M361 HydrophobicContact CD2-CE 3.56Å; W258-M361 HydrophobicContact CE3-CB 4.18Å; W258-M361 HydrophobicContact CE3-CE 3.81Å; W258-M361 HydrophobicContact CG-CE 4.07Å; W258-M361 HydrophobicContact CH2-CB 3.7Å; W258-M361 HydrophobicContact CH2-CE 4.04Å; W258-M361 HydrophobicContact CH2-CG 3.73Å; W258-M361 HydrophobicContact CZ2-CE 3.8Å; W258-M361 HydrophobicContact CZ2-CG 4.18Å; W258-M361 HydrophobicContact CZ3-CB 3.5Å; W258-M361 HydrophobicContact CZ3-CE 4.05Å; W258-M361 HydrophobicContact CZ3-CG 4.03Å; W258-M361 WeakPolarHBondContact CZ3-O 3.21Å; I261-M361 HydrophobicContact CD1-CB 3.95Å; G358-M361 WeakPolarHBondContact O-CA 3.46Å; G358-M361 WeakPolarHBondContact O-CB 3.39Å; G358-M361 PolarHBondContact O-N 3.37Å; M361-M364 PolarHBondContact O-N 3.37Å; M361-V365 WeakPolarHBondContact O-CG2 3.48Å; M361-V365 PolarHBondContact O-N 3.29Å; M361-L444 HydrophobicContact CG-CD1 4.24Å
362I98.9Very high98.8Very high0 Ų012.3 Ų12.30%06%0.058CC..Hα-helixtrans-62.5-43.6175.1-68.5164.6000110.8I261 M273 M274 L277 A285 F355 G358 V359 L360 M364 V365 K366I261-I362 HydrophobicContact CB-CG1 4.15Å; I261-I362 HydrophobicContact CD1-CG1 3.92Å; I261-I362 HydrophobicContact CG2-CD1 4.18Å; I261-I362 HydrophobicContact CG2-CG1 3.87Å; M273-I362 HydrophobicContact CE-CG2 3.91Å; M273-I362 HydrophobicContact CG-CG1 4.44Å; M273-I362 HydrophobicContact CG-CG2 4.2Å; M273-I362 HydrophobicContact SD-CG2 4.29Å; M274-I362 HydrophobicContact SD-CG2 3.44Å; M274-I362 WeakPolarHBondContact SD-CG2 3.35Å; L277-I362 HydrophobicContact CD1-CD1 3.89Å; L277-I362 HydrophobicContact CD1-CG2 4.09Å; L277-I362 HydrophobicContact CD2-CD1 3.66Å; L277-I362 HydrophobicContact CG-CD1 3.85Å; A285-I362 HydrophobicContact CB-CG2 4.49Å; F355-I362 HydrophobicContact CB-CD1 4.32Å; F355-I362 HydrophobicContact CD1-CD1 3.79Å; F355-I362 HydrophobicContact CG-CD1 4.48Å; G358-I362 WeakPolarHBondContact O-CG1 3.26Å; G358-I362 PolarHBondContact O-N 3.15Å; V359-I362 PolarHBondContact O-N 3.38Å; L360-I362 VanDerWaalsContact C-N 3.32Å; L360-I362 PolarHBondContact O-N 3.43Å; I362-M364 PolarHBondContact O-N 2.81Å; I362-V365 PolarHBondContact O-N 2.91Å; I362-K366 PolarHBondContact O-N 3.32Å
363A98.9Very high98.8Very high0 Ų09.3 Ų9.30%04%0.044CC..Hα-helixtrans-62.9-39.3176.300000112.6A285 L288 L292 V359 L360 K366 A367A285-A363 VanDerWaalsContact O-CB 3.31Å; A285-A363 WeakPolarHBondContact O-CB 3.46Å; L288-A363 HydrophobicContact CB-CB 3.65Å; L292-A363 HydrophobicContact CD1-CB 4.26Å; V359-A363 WeakPolarHBondContact O-CB 3.29Å; V359-A363 PolarHBondContact O-N 3.23Å; L360-A363 PolarHBondContact O-N 2.77Å; A363-K366 PolarHBondContact O-N 3.43Å; A363-A367 VanDerWaalsContact O-CB 3.23Å; A363-A367 WeakPolarHBondContact O-CB 3.24Å; A363-A367 PolarHBondContact O-N 2.96Å
364M98.9Very high98.8Very high3 Ų38.6 Ų8.62%0.0154%0.041CC..Hα-helixtrans-64.6-43.7174.5-76.2179.3171.900111.7M228 L235 W258 L292 L360 M361 I362 G368 L432 M436M228-M364 HydrophobicContact CE-CB 3.93Å; M228-M364 HydrophobicContact CE-CG 4.31Å; M228-M364 WeakPolarHBondContact CE-O 3.25Å; L235-M364 HydrophobicContact CB-CE 4.45Å; L235-M364 HydrophobicContact CD1-CE 4.31Å; W258-M364 HydrophobicContact CH2-SD 4.26Å; L292-M364 HydrophobicContact CD1-CB 4.45Å; L292-M364 HydrophobicContact CD1-CG 3.76Å; L360-M364 HydrophobicContact CD1-CE 4.11Å; L360-M364 HydrophobicContact CD1-CG 4.18Å; L360-M364 HydrophobicContact CD2-CE 3.96Å; L360-M364 HydrophobicContact CG-CE 3.95Å; L360-M364 HydrophobicContact CG-CG 4.35Å; L360-M364 HydrophobicContact CG-SD 4.31Å; L360-M364 WeakPolarHBondContact O-CB 3.44Å; L360-M364 WeakPolarHBondContact O-CG 3.41Å; L360-M364 PolarHBondContact O-N 3.03Å; M361-M364 PolarHBondContact O-N 3.37Å; I362-M364 PolarHBondContact O-N 2.81Å; M364-G368 PolarHBondContact O-N 3.46Å; M364-L432 HydrophobicContact CE-CD1 4.42Å; M364-M436 HydrophobicContact CE-SD 4.07Å
365V98.9Very high98.8Very high2 Ų28.1 Ų8.11%0.0124%0.04CC..Hα-helixtrans-60.4-50.1174.6169.50000110.5W258 I261 T262 L265 M273 M361 I362 V369 L394W258-V365 HydrophobicContact CE3-CG2 4Å; W258-V365 HydrophobicContact CZ3-CG2 3.97Å; I261-V365 HydrophobicContact CD1-CG2 3.92Å; T262-V365 HydrophobicContact CG2-CG2 4.46Å; L265-V365 HydrophobicContact CD1-CG1 4.36Å; L265-V365 HydrophobicContact CD2-CG1 4.08Å; M273-V365 HydrophobicContact CE-CB 3.99Å; M273-V365 HydrophobicContact CE-CG1 3.63Å; M273-V365 HydrophobicContact SD-CB 4.11Å; M273-V365 HydrophobicContact SD-CG1 3.72Å; M361-V365 WeakPolarHBondContact O-CG2 3.48Å; M361-V365 PolarHBondContact O-N 3.29Å; I362-V365 PolarHBondContact O-N 2.91Å; V365-V369 WeakPolarHBondContact O-CB 3.38Å; V365-V369 VanDerWaalsContact O-CG1 3.26Å; V365-V369 WeakPolarHBondContact O-CG1 3.22Å; V365-V369 PolarHBondContact O-N 3.42Å; V365-L394 HydrophobicContact CG1-CD2 3.72Å
366K98.9Very high98.8Very high2 Ų28.1 Ų8.11%0.0094%0.039CC..Hα-helixtrans-58.8-52.4177.8178.1-178.3171.1-58.50111.3I270 M274 S289 E290 I362 A363 G368 V369 E370I270-K366 HydrophobicContact CD1-CG 4.48Å; I270-K366 HydrophobicContact CG2-CB 4.1Å; I270-K366 HydrophobicContact CG2-CD 3.99Å; I270-K366 HydrophobicContact CG2-CG 3.76Å; M274-K366 HydrophobicContact CE-CD 4.34Å; M274-K366 HydrophobicContact SD-CD 4.41Å; S289-K366 WeakPolarHBondContact OG-CD 3.29Å; S289-K366 VanDerWaalsContact OG-CG 3.27Å; S289-K366 WeakPolarHBondContact OG-CG 3.2Å; S289-K366 PolarHBondContact OG-NZ 3.06Å; S289-K366 VanDerWaalsContact OG-NZ 3.1Å; E290-K366 IonicContact OE1-NZ 3.88Å; E290-K366 PolarHBondContact OE1-NZ 2.82Å; I362-K366 PolarHBondContact O-N 3.32Å; A363-K366 PolarHBondContact O-N 3.43Å; K366-G368 PolarHBondContact O-N 3.46Å; K366-V369 WeakPolarHBondContact O-CG1 3.46Å; K366-E370 WeakPolarHBondContact CE-OE1 3.44Å; K366-E370 HydrophobicContact CG-CG 4.4Å; K366-E370 WeakPolarHBondContact CG-OE1 3.27Å; K366-E370 VanDerWaalsContact NZ-CD 3.28Å; K366-E370 IonicContact NZ-OE1 2.77Å; K366-E370 PolarHBondContact NZ-OE1 3.2Å; K366-E370 VanDerWaalsContact NZ-OE1 3.08Å; K366-E370 IonicContact NZ-OE2 3.17Å; K366-E370 PolarHBondContact NZ-OE2 3.04Å; K366-E370 WeakPolarHBondContact O-CB 3.24Å; K366-E370 VanDerWaalsContact O-CG 3.28Å; K366-E370 WeakPolarHBondContact O-CG 3.49Å; K366-E370 PolarHBondContact O-N 2.93Å
367A98.9Very high98.8Very high0 Ų08.1 Ų8.10%04%0.041CC..Hα-helixtrans-62.1-47.4-17600000111.9S289 L292 K293 M296 A363 L371S289-A367 WeakPolarHBondContact O-CB 3.49Å; S289-A367 PolarHBondContact OG-N 3.28Å; L292-A367 HydrophobicContact CB-CB 3.62Å; L292-A367 HydrophobicContact CD1-CB 4.33Å; K293-A367 HydrophobicContact CG-CB 3.73Å; M296-A367 HydrophobicContact CE-CB 4.1Å; A363-A367 VanDerWaalsContact O-CB 3.23Å; A363-A367 WeakPolarHBondContact O-CB 3.24Å; A363-A367 PolarHBondContact O-N 2.96Å; A367-L371 VanDerWaalsContact O-CB 3.31Å; A367-L371 WeakPolarHBondContact O-CB 3.41Å; A367-L371 WeakPolarHBondContact O-CG 3.5Å; A367-L371 PolarHBondContact O-N 2.96Å
368G98.8Very high98.8Very high0 Ų012.5 Ų12.50%07%0.067CC..Hα-helixtrans-68.4-40-177.700000112.9F300 M364 K366 A372F300-G368 WeakPolarHBondContact CE1-O 3.49Å; M364-G368 PolarHBondContact O-N 3.46Å; K366-G368 PolarHBondContact O-N 3.46Å; G368-A372 VanDerWaalsContact O-CB 3.32Å; G368-A372 WeakPolarHBondContact O-CB 3.35Å; G368-A372 PolarHBondContact O-N 3.49Å
369V98.6Very high98.8Very high0 Ų014 Ų140%08%0.077CC..Hα-helixtrans-71.1-39.4-179.681.10000111.7I224 I270 V365 K366 F373 L391 I470I224-V369 HydrophobicContact CD1-CB 4.07Å; I224-V369 HydrophobicContact CG1-CB 3.84Å; I224-V369 HydrophobicContact CG1-CG2 4.09Å; I270-V369 HydrophobicContact CD1-CG1 3.52Å; I270-V369 HydrophobicContact CG1-CG1 4.01Å; V365-V369 WeakPolarHBondContact O-CB 3.38Å; V365-V369 VanDerWaalsContact O-CG1 3.26Å; V365-V369 WeakPolarHBondContact O-CG1 3.22Å; V365-V369 PolarHBondContact O-N 3.42Å; K366-V369 WeakPolarHBondContact O-CG1 3.46Å; V369-F373 VanDerWaalsContact O-CB 3.28Å; V369-F373 WeakPolarHBondContact O-CB 3.3Å; V369-F373 PolarHBondContact O-N 3.35Å; V369-L391 HydrophobicContact CG2-CB 3.75Å; V369-L391 HydrophobicContact CG2-CG 4.39Å; V369-I470 HydrophobicContact CG1-CD1 4.35Å; V369-I470 HydrophobicContact CG2-CD1 3.66Å
370E98.9Very high98.8Very high2 Ų215 Ų151%0.0099%0.087CC..Hα-helixtrans-65.5-47.4174.8-71-179.8-179.500110.7I270 K293 K366 A372 F373 E374 H468 I470I270-E370 HydrophobicContact CD1-CG 3.81Å; K293-E370 HydrophobicContact CD-CB 4.24Å; K293-E370 VanDerWaalsContact CD-OE2 3.32Å; K293-E370 WeakPolarHBondContact CD-OE2 3.35Å; K293-E370 IonicContact NZ-OE2 3.22Å; K293-E370 PolarHBondContact NZ-OE2 2.75Å; K366-E370 WeakPolarHBondContact CE-OE1 3.44Å; K366-E370 HydrophobicContact CG-CG 4.4Å; K366-E370 WeakPolarHBondContact CG-OE1 3.27Å; K366-E370 VanDerWaalsContact NZ-CD 3.28Å; K366-E370 IonicContact NZ-OE1 2.77Å; K366-E370 PolarHBondContact NZ-OE1 3.2Å; K366-E370 VanDerWaalsContact NZ-OE1 3.08Å; K366-E370 IonicContact NZ-OE2 3.17Å; K366-E370 PolarHBondContact NZ-OE2 3.04Å; K366-E370 WeakPolarHBondContact O-CB 3.24Å; K366-E370 VanDerWaalsContact O-CG 3.28Å; K366-E370 WeakPolarHBondContact O-CG 3.49Å; K366-E370 PolarHBondContact O-N 2.93Å; E370-A372 PolarHBondContact O-N 3.31Å; E370-F373 PolarHBondContact O-N 2.63Å; E370-E374 WeakPolarHBondContact O-CB 3.46Å; E370-E374 WeakPolarHBondContact O-CG 3.35Å; E370-E374 PolarHBondContact O-N 2.92Å; E370-H468 VanDerWaalsContact CD-CD2 3.42Å; E370-H468 WeakPolarHBondContact CG-NE2 3.36Å; E370-H468 IonicContact OE1-CD2 2.65Å; E370-H468 IonicContact OE1-CG 2.8Å; E370-H468 IonicContact OE2-CD2 2.73Å; E370-H468 IonicContact OE2-NE2 2.77Å; E370-I470 HydrophobicContact CG-CG2 4.45Å
371L98.9Very high98.7Very high6 Ų615.1 Ų15.13%0.0319%0.088CC..Hα-helixtrans-60.9-43.7177.9-87174.3000112.8K293 M296 A297 F300 A367 F373 T375K293-L371 HydrophobicContact CB-CD1 4.31Å; K293-L371 HydrophobicContact CB-CD2 4.49Å; K293-L371 HydrophobicContact CB-CG 4.21Å; K293-L371 HydrophobicContact CG-CD1 4.33Å; K293-L371 HydrophobicContact CG-CG 4.04Å; M296-L371 HydrophobicContact CB-CD1 3.75Å; M296-L371 HydrophobicContact CE-CD1 4.1Å; A297-L371 HydrophobicContact CB-CD2 3.83Å; F300-L371 HydrophobicContact CB-CB 4.43Å; F300-L371 HydrophobicContact CD1-CB 3.53Å; F300-L371 HydrophobicContact CD1-CD1 4.48Å; F300-L371 HydrophobicContact CD2-CB 4.36Å; F300-L371 HydrophobicContact CD2-CD1 3.84Å; F300-L371 HydrophobicContact CE1-CB 3.72Å; F300-L371 HydrophobicContact CE2-CD1 3.93Å; F300-L371 HydrophobicContact CG-CB 3.87Å; F300-L371 HydrophobicContact CG-CD1 4.11Å; F300-L371 HydrophobicContact CZ-CB 4.22Å; F300-L371 HydrophobicContact CZ-CD1 4.31Å; A367-L371 VanDerWaalsContact O-CB 3.31Å; A367-L371 WeakPolarHBondContact O-CB 3.41Å; A367-L371 WeakPolarHBondContact O-CG 3.5Å; A367-L371 PolarHBondContact O-N 2.96Å; L371-F373 VanDerWaalsContact C-N 3.33Å; L371-F373 PolarHBondContact O-N 3.48Å; L371-T375 WeakPolarHBondContact O-CB 3.39Å; L371-T375 PolarHBondContact O-N 2.85Å; L371-T375 PolarHBondContact O-OG1 2.63Å
372A98.9Very high98.7Very high0 Ų017.8 Ų17.80%010%0.102CC..Hα-helixtrans-60.6-46.317700000110.6I224 F300 G368 E370 M376I224-A372 HydrophobicContact CB-CB 4.08Å; I224-A372 HydrophobicContact CG2-CB 3.67Å; F300-A372 HydrophobicContact CD1-CB 4.37Å; F300-A372 HydrophobicContact CE1-CB 4.15Å; G368-A372 VanDerWaalsContact O-CB 3.32Å; G368-A372 WeakPolarHBondContact O-CB 3.35Å; G368-A372 PolarHBondContact O-N 3.49Å; E370-A372 PolarHBondContact O-N 3.31Å; A372-M376 HydrophobicContact CB-CE 4.29Å; A372-M376 WeakPolarHBondContact O-CB 3.11Å; A372-M376 VanDerWaalsContact O-CE 3.3Å; A372-M376 WeakPolarHBondContact O-CE 3.29Å; A372-M376 VanDerWaalsContact O-CG 3.27Å; A372-M376 WeakPolarHBondContact O-CG 3.42Å; A372-M376 PolarHBondContact O-N 2.87Å
373F98.9Very high98.6Very high4 Ų421.3 Ų21.32%0.01812%0.118CC..Hα-helixtrans-62.3-52.6178.2178.8-84.9000112.6V369 E370 L371 T375 M376 V377 E383 A386 A469 I470 V473V369-F373 VanDerWaalsContact O-CB 3.28Å; V369-F373 WeakPolarHBondContact O-CB 3.3Å; V369-F373 PolarHBondContact O-N 3.35Å; E370-F373 PolarHBondContact O-N 2.63Å; L371-F373 VanDerWaalsContact C-N 3.33Å; L371-F373 PolarHBondContact O-N 3.48Å; F373-T375 PolarHBondContact O-N 3Å; F373-M376 PolarHBondContact O-N 2.76Å; F373-V377 HydrophobicContact CD1-CG2 4.25Å; F373-V377 HydrophobicContact CE1-CG2 3.89Å; F373-V377 HydrophobicContact CE2-CG2 4.5Å; F373-V377 HydrophobicContact CZ-CG2 4.05Å; F373-V377 WeakPolarHBondContact O-CG2 3.42Å; F373-V377 PolarHBondContact O-N 3.34Å; F373-E383 HydrophobicContact CE2-CB 4.16Å; F373-E383 WeakPolarHBondContact CE2-O 3.3Å; F373-E383 HydrophobicContact CZ-CB 3.79Å; F373-E383 HydrophobicContact CZ-CG 3.83Å; F373-A386 HydrophobicContact CD2-CB 3.62Å; F373-A386 HydrophobicContact CE2-CB 3.92Å; F373-A386 HydrophobicContact CG-CB 4.31Å; F373-A469 HydrophobicContact CE1-CB 3.69Å; F373-A469 HydrophobicContact CZ-CB 4.14Å; F373-I470 HydrophobicContact CB-CB 4.39Å; F373-I470 HydrophobicContact CB-CD1 3.76Å; F373-I470 HydrophobicContact CB-CG1 4.27Å; F373-I470 HydrophobicContact CD1-CB 4.05Å; F373-I470 HydrophobicContact CD2-CB 3.83Å; F373-I470 HydrophobicContact CD2-CD1 3.83Å; F373-I470 HydrophobicContact CD2-CG1 3.51Å; F373-I470 HydrophobicContact CE1-CB 4.29Å; F373-I470 HydrophobicContact CE2-CB 4.05Å; F373-I470 HydrophobicContact CE2-CG1 3.93Å; F373-I470 HydrophobicContact CG-CB 3.82Å; F373-I470 HydrophobicContact CG-CD1 3.94Å; F373-I470 HydrophobicContact CG-CG1 3.88Å; F373-I470 HydrophobicContact CZ-CB 4.27Å; F373-V473 HydrophobicContact CE2-CG1 3.9Å; F373-V473 HydrophobicContact CZ-CG1 4.13Å
374E98.9Very high98.5Very high55 Ų5522.9 Ų22.926%0.25713%0.125SC..Hα-helixtrans-57.7-49.6-179.8-70.7164.8158.900110.5K293 E370 M376 V377 D378 H468K293-E374 WeakPolarHBondContact CE-OE2 3.36Å; K293-E374 VanDerWaalsContact NZ-CD 3.34Å; K293-E374 IonicContact NZ-OE1 3.29Å; K293-E374 PolarHBondContact NZ-OE1 3.48Å; K293-E374 IonicContact NZ-OE2 3.34Å; K293-E374 PolarHBondContact NZ-OE2 2.83Å; E370-E374 WeakPolarHBondContact O-CB 3.46Å; E370-E374 WeakPolarHBondContact O-CG 3.35Å; E370-E374 PolarHBondContact O-N 2.92Å; E374-M376 VanDerWaalsContact C-N 3.35Å; E374-M376 PolarHBondContact O-N 2.87Å; E374-V377 PolarHBondContact O-N 3.17Å; E374-V377 VanDerWaalsContact O-N 3.14Å; E374-D378 WeakPolarHBondContact O-CB 3.27Å; E374-D378 VanDerWaalsContact O-CG 3.3Å; E374-D378 PolarHBondContact O-N 3.06Å; E374-H468 IonicContact OE1-CD2 3.42Å; E374-H468 IonicContact OE1-CE1 3.65Å; E374-H468 IonicContact OE1-NE2 2.62Å; E374-H468 PolarHBondContact OE1-NE2 3.38Å
375T98.8Very high98.3Very high8 Ų822.8 Ų22.85%0.04913%0.125CC..Hα-helixtrans-65.2-37.5-177.4-50.40000112.1M219 Q301 M304 L371 F373 S379M219-T375 HydrophobicContact CE-CG2 4.17Å; Q301-T375 HydrophobicContact CG-CG2 4.16Å; M304-T375 HydrophobicContact CB-CG2 3.5Å; M304-T375 VanDerWaalsContact CB-CG2 3.5Å; M304-T375 HydrophobicContact CG-CG2 3.95Å; L371-T375 WeakPolarHBondContact O-CB 3.39Å; L371-T375 PolarHBondContact O-N 2.85Å; L371-T375 PolarHBondContact O-OG1 2.63Å; F373-T375 PolarHBondContact O-N 3Å; T375-S379 PolarHBondContact O-N 2.9Å; T375-S379 PolarHBondContact O-OG 3.36Å
376M98.8Very high98.2Very high0 Ų022.7 Ų22.70%013%0.125CC..Hα-helixtrans-62.5-48.1172.4-79-170.9-82.900111.2M219 M304 A372 F373 E374 D378 S379 G380 I381 A386M219-M376 HydrophobicContact CB-CG 3.93Å; M219-M376 HydrophobicContact CB-SD 4.07Å; M219-M376 HydrophobicContact CG-CG 3.51Å; M219-M376 HydrophobicContact CG-SD 4.08Å; M304-M376 HydrophobicContact SD-CG 4.4Å; A372-M376 HydrophobicContact CB-CE 4.29Å; A372-M376 WeakPolarHBondContact O-CB 3.11Å; A372-M376 VanDerWaalsContact O-CE 3.3Å; A372-M376 WeakPolarHBondContact O-CE 3.29Å; A372-M376 VanDerWaalsContact O-CG 3.27Å; A372-M376 WeakPolarHBondContact O-CG 3.42Å; A372-M376 PolarHBondContact O-N 2.87Å; F373-M376 PolarHBondContact O-N 2.76Å; E374-M376 VanDerWaalsContact C-N 3.35Å; E374-M376 PolarHBondContact O-N 2.87Å; M376-D378 PolarHBondContact O-N 2.97Å; M376-S379 WeakPolarHBondContact O-CA 3.49Å; M376-S379 WeakPolarHBondContact O-CB 3.46Å; M376-S379 PolarHBondContact O-N 3.05Å; M376-S379 VanDerWaalsContact O-N 3.08Å; M376-G380 PolarHBondContact O-N 3.09Å; M376-I381 HydrophobicContact CB-CB 4.16Å; M376-I381 HydrophobicContact CB-CD1 3.92Å; M376-I381 HydrophobicContact CB-CG2 4.36Å; M376-I381 HydrophobicContact CG-CD1 3.92Å; M376-I381 VanDerWaalsContact O-CB 3.31Å; M376-I381 WeakPolarHBondContact O-CB 3.41Å; M376-I381 PolarHBondContact O-N 2.79Å; M376-I381 VanDerWaalsContact O-N 3.16Å; M376-I381 HydrophobicContact SD-CD1 4.37Å; M376-A386 HydrophobicContact CB-CB 3.93Å; M376-A386 HydrophobicContact CE-CB 3.91Å; M376-A386 WeakPolarHBondContact CE-O 3.31Å; M376-A386 HydrophobicContact SD-CB 4.15Å
377V98.7Very high98.2Very high45 Ų4522.8 Ų22.827%0.27313%0.125SC..Hα-helixtrans-63.6-42.4-178.6172.50000111.6F373 E374 S379 G380 I381 E383 A386F373-V377 HydrophobicContact CD1-CG2 4.25Å; F373-V377 HydrophobicContact CE1-CG2 3.89Å; F373-V377 HydrophobicContact CE2-CG2 4.5Å; F373-V377 HydrophobicContact CZ-CG2 4.05Å; F373-V377 WeakPolarHBondContact O-CG2 3.42Å; F373-V377 PolarHBondContact O-N 3.34Å; E374-V377 PolarHBondContact O-N 3.17Å; E374-V377 VanDerWaalsContact O-N 3.14Å; V377-S379 PolarHBondContact O-N 3.25Å; V377-G380 PolarHBondContact O-N 3.37Å; V377-I381 WeakPolarHBondContact CA-O 3.34Å; V377-E383 HydrophobicContact CG2-CG 4.29Å; V377-A386 HydrophobicContact CG2-CB 4.1Å
378D98.6Very high98Very high135 Ų13523 Ų2372%0.72213%0.125SC*.Hα-helixtrans-61.3-24.8175.5-72.6-15.2000112.5E374 M376 G380E374-D378 WeakPolarHBondContact O-CB 3.27Å; E374-D378 VanDerWaalsContact O-CG 3.3Å; E374-D378 PolarHBondContact O-N 3.06Å; M376-D378 PolarHBondContact O-N 2.97Å; D378-G380 VanDerWaalsContact C-N 3.32Å
379S98.4Very high97.8Very high30 Ų3023 Ų2321%0.2113%0.126CC..THydrogen-bonded Turntrans-87.34.1176.4-55.90000113.9M304 T375 M376 V377M304-S379 VanDerWaalsContact CE-CB 3.47Å; M304-S379 WeakPolarHBondContact CG-OG 3.28Å; T375-S379 PolarHBondContact O-N 2.9Å; T375-S379 PolarHBondContact O-OG 3.36Å; M376-S379 WeakPolarHBondContact O-CA 3.49Å; M376-S379 WeakPolarHBondContact O-CB 3.46Å; M376-S379 PolarHBondContact O-N 3.05Å; M376-S379 VanDerWaalsContact O-N 3.08Å; V377-S379 PolarHBondContact O-N 3.25Å
380G98.1Very high97.7Very high21 Ų2123 Ų2322%0.21613%0.126CC..THydrogen-bonded Turntrans91.2917800000115.3L17 G18 M376 V377 D378L17-G380 CarbonylContact C-O 3.59Å; G18-G380 PolarHBondContact N-O 3.11Å; M376-G380 PolarHBondContact O-N 3.09Å; V377-G380 PolarHBondContact O-N 3.37Å; D378-G380 VanDerWaalsContact C-N 3.32Å
381I98.2Very high97.7Very high3 Ų323 Ų232%0.01513%0.125CC..  trans-77.5141.8170.2-64167.8000108.8L17 K215 M304 M376 V377 A386L17-I381 HydrophobicContact CD2-CG1 4Å; K215-I381 HydrophobicContact CB-CD1 4.34Å; M304-I381 HydrophobicContact CE-CD1 3.43Å; M304-I381 VanDerWaalsContact CE-CD1 3.43Å; M304-I381 HydrophobicContact CE-CG1 4.41Å; M376-I381 HydrophobicContact CB-CB 4.16Å; M376-I381 HydrophobicContact CB-CD1 3.92Å; M376-I381 HydrophobicContact CB-CG2 4.36Å; M376-I381 HydrophobicContact CG-CD1 3.92Å; M376-I381 VanDerWaalsContact O-CB 3.31Å; M376-I381 WeakPolarHBondContact O-CB 3.41Å; M376-I381 PolarHBondContact O-N 2.79Å; M376-I381 VanDerWaalsContact O-N 3.16Å; M376-I381 HydrophobicContact SD-CD1 4.37Å; V377-I381 WeakPolarHBondContact CA-O 3.34Å; I381-A386 HydrophobicContact CG2-CB 4.3Å
382I97.6Very high97.4Very high58 Ų5824.2 Ų24.230%0.29713%0.131SC..  trans-78.3147.5179.3-58.8-56000111.3G18 C20 E384 S385 A386G18-I382 WeakPolarHBondContact O-CG1 3.35Å; C20-I382 HydrophobicContact CB-CB 3.79Å; C20-I382 HydrophobicContact CB-CG1 4.14Å; C20-I382 HydrophobicContact CB-CG2 4.09Å; I382-E384 VanDerWaalsContact C-N 3.29Å; I382-E384 WeakPolarHBondContact CG2-OE2 3.34Å; I382-E384 PolarHBondContact O-N 3.49Å; I382-S385 WeakPolarHBondContact O-CB 3.49Å; I382-S385 PolarHBondContact O-N 2.8Å; I382-A386 PolarHBondContact O-N 3.46Å
383E97.9Very high97.2Very high74 Ų7425.5 Ų25.535%0.34614%0.137SC..Hα-helixtrans-48.5-44.4-179.9-62-175.2156.900113.5F373 V377 S385 A386 Y387 V473F373-E383 HydrophobicContact CE2-CB 4.16Å; F373-E383 WeakPolarHBondContact CE2-O 3.3Å; F373-E383 HydrophobicContact CZ-CB 3.79Å; F373-E383 HydrophobicContact CZ-CG 3.83Å; V377-E383 HydrophobicContact CG2-CG 4.29Å; E383-S385 PolarHBondContact O-N 3.29Å; E383-A386 PolarHBondContact O-N 2.9Å; E383-Y387 VanDerWaalsContact O-CB 3.31Å; E383-Y387 WeakPolarHBondContact O-CB 3.3Å; E383-Y387 PolarHBondContact O-N 3.22Å; E383-V473 HydrophobicContact CB-CB 4.31Å; E383-V473 HydrophobicContact CB-CG1 4.33Å; E383-V473 HydrophobicContact CB-CG2 4.12Å
384E95.6Very high97Very high32 Ų3225.3 Ų25.315%0.1514%0.136CC..Hα-helixtrans-60.9-43.8177.7-74.882.5178.400112.3L206 I382 Y387 Y388 V473 K476 L477L206-E384 HydrophobicContact CD2-CB 3.86Å; I382-E384 VanDerWaalsContact C-N 3.29Å; I382-E384 WeakPolarHBondContact CG2-OE2 3.34Å; I382-E384 PolarHBondContact O-N 3.49Å; E384-Y387 PolarHBondContact O-N 3Å; E384-Y388 WeakPolarHBondContact O-CD2 3.25Å; E384-Y388 PolarHBondContact O-N 3.33Å; E384-Y388 VanDerWaalsContact O-N 3.12Å; E384-V473 HydrophobicContact CG-CG2 3.95Å; E384-K476 WeakPolarHBondContact OE1-CE 3.43Å; E384-K476 IonicContact OE1-NZ 3.56Å; E384-K476 PolarHBondContact OE1-NZ 3.41Å; E384-L477 HydrophobicContact CB-CD1 4.34Å; E384-L477 HydrophobicContact CG-CD1 4.06Å; E384-L477 HydrophobicContact CG-CD2 3.96Å; E384-L477 HydrophobicContact CG-CG 4.38Å
385S95.2Very high96.8Very high2 Ų223 Ų231%0.01413%0.126CC..Hα-helixtrans-63.6-50.8175.7-650000110.4C20 I382 E383 Y387 Y388 E389C20-S385 WeakPolarHBondContact CB-OG 3.4Å; C20-S385 PolarHBondContact SG-OG 3.46Å; I382-S385 WeakPolarHBondContact O-CB 3.49Å; I382-S385 PolarHBondContact O-N 2.8Å; E383-S385 PolarHBondContact O-N 3.29Å; S385-Y387 PolarHBondContact O-N 2.87Å; S385-Y388 PolarHBondContact O-N 3.29Å; S385-E389 WeakPolarHBondContact O-CG 3.48Å; S385-E389 PolarHBondContact O-N 3.42Å; S385-E389 VanDerWaalsContact O-N 3.09Å
386A97.6Very high96.4Very high0 Ų024 Ų240%013%0.131CC..Hα-helixtrans-57.3-37.2179.700000112.2F373 M376 V377 I381 I382 E383 S390F373-A386 HydrophobicContact CD2-CB 3.62Å; F373-A386 HydrophobicContact CE2-CB 3.92Å; F373-A386 HydrophobicContact CG-CB 4.31Å; M376-A386 HydrophobicContact CB-CB 3.93Å; M376-A386 HydrophobicContact CE-CB 3.91Å; M376-A386 WeakPolarHBondContact CE-O 3.31Å; M376-A386 HydrophobicContact SD-CB 4.15Å; V377-A386 HydrophobicContact CG2-CB 4.1Å; I381-A386 HydrophobicContact CG2-CB 4.3Å; I382-A386 PolarHBondContact O-N 3.46Å; E383-A386 PolarHBondContact O-N 2.9Å; A386-S390 VanDerWaalsContact O-CB 3.31Å; A386-S390 WeakPolarHBondContact O-CB 3.42Å; A386-S390 PolarHBondContact O-N 2.95Å; A386-S390 PolarHBondContact O-OG 3.24Å
387Y97.7Very high96.2Very high3 Ų325 Ų251%0.01214%0.136CC..Hα-helixtrans-65.3-45.4174.9172.8-90.9000113E383 E384 S385 S390 L391 H392 I470 V473 L477 R478E383-Y387 VanDerWaalsContact O-CB 3.31Å; E383-Y387 WeakPolarHBondContact O-CB 3.3Å; E383-Y387 PolarHBondContact O-N 3.22Å; E384-Y387 PolarHBondContact O-N 3Å; S385-Y387 PolarHBondContact O-N 2.87Å; Y387-S390 PolarHBondContact O-N 2.92Å; Y387-L391 HydrophobicContact CD2-CB 4.15Å; Y387-L391 HydrophobicContact CE2-CB 3.97Å; Y387-L391 HydrophobicContact CE2-CD1 4.24Å; Y387-L391 HydrophobicContact CE2-CD2 3.76Å; Y387-L391 HydrophobicContact CE2-CG 4.19Å; Y387-L391 PolarHBondContact O-N 3.49Å; Y387-H392 HydrophobicContact CD1-CB 4.29Å; Y387-H392 HydrophobicContact CE1-CB 3.9Å; Y387-H392 PolarHBondContact O-N 3.47Å; Y387-I470 HydrophobicContact CD2-CG1 4.07Å; Y387-V473 HydrophobicContact CD2-CG1 4.21Å; Y387-V473 HydrophobicContact CG-CG1 4.31Å; Y387-L477 HydrophobicContact CD1-CB 4.46Å; Y387-L477 HydrophobicContact CD1-CD1 3.31Å; Y387-L477 HydrophobicContact CE1-CB 4.19Å; Y387-L477 HydrophobicContact CE1-CD1 3.88Å; Y387-L477 HydrophobicContact CG-CD1 3.84Å; Y387-R478 WeakPolarHBondContact OH-CG 3.29Å; Y387-R478 PolarHBondContact OH-NH1 3.2Å
388Y94.7Very high96.1Very high4 Ų422.9 Ų22.92%0.01612%0.123CC..Hα-helixtrans-67.6-36.1-177-84.4-64.9000112.5P172 L206 E384 S385 S390 H392 E393 L477 M481P172-Y388 HydrophobicContact CB-CD1 4.18Å; P172-Y388 HydrophobicContact CB-CE1 3.57Å; P172-Y388 HydrophobicContact CG-CE1 4.02Å; L206-Y388 HydrophobicContact CD1-CD2 3.59Å; L206-Y388 HydrophobicContact CD1-CE2 3.32Å; L206-Y388 HydrophobicContact CD1-CG 4.38Å; L206-Y388 HydrophobicContact CD2-CD2 3.72Å; L206-Y388 HydrophobicContact CD2-CE2 3.6Å; L206-Y388 HydrophobicContact CG-CD2 4.31Å; L206-Y388 HydrophobicContact CG-CE2 4.02Å; E384-Y388 WeakPolarHBondContact O-CD2 3.25Å; E384-Y388 PolarHBondContact O-N 3.33Å; E384-Y388 VanDerWaalsContact O-N 3.12Å; S385-Y388 PolarHBondContact O-N 3.29Å; Y388-S390 VanDerWaalsContact C-N 3.3Å; Y388-S390 PolarHBondContact O-N 2.62Å; Y388-H392 HydrophobicContact CD1-CB 4Å; Y388-H392 AromaticContact CD1-CD2 3.57Å; Y388-H392 AromaticContact CD1-CG 3.66Å; Y388-H392 WeakPolarHBondContact O-CB 3.31Å; Y388-E393 WeakPolarHBondContact O-CG 3.36Å; Y388-L477 HydrophobicContact CD2-CD1 4.19Å; Y388-L477 HydrophobicContact CE2-CD1 3.62Å; Y388-L477 HydrophobicContact CE2-CD2 4.06Å; Y388-L477 HydrophobicContact CE2-CG 4.36Å; Y388-M481 HydrophobicContact CE1-SD 4.47Å
389E94.9Very high95.8Very high1 Ų118.9 Ų18.91%0.00510%0.102CC..THydrogen-bonded Turntrans-88.910.4177.3-40.1-60.4-17500113.4K155 S216 G220 S385K155-E389 VanDerWaalsContact CE-OE1 3.22Å; K155-E389 WeakPolarHBondContact CE-OE1 3.45Å; K155-E389 VanDerWaalsContact CE-OE2 3.3Å; K155-E389 WeakPolarHBondContact CE-OE2 3.47Å; K155-E389 IonicContact NZ-OE1 2.86Å; K155-E389 PolarHBondContact NZ-OE1 3.37Å; K155-E389 IonicContact NZ-OE2 3.22Å; K155-E389 PolarHBondContact NZ-OE2 2.81Å; S216-E389 VanDerWaalsContact CB-CG 3.45Å; S216-E389 WeakPolarHBondContact O-CB 3.29Å; S216-E389 WeakPolarHBondContact OG-CG 3.46Å; S216-E389 PolarHBondContact OG-OE1 3.22Å; G220-E389 WeakPolarHBondContact CA-O 3.45Å; S385-E389 WeakPolarHBondContact O-CG 3.48Å; S385-E389 PolarHBondContact O-N 3.42Å; S385-E389 VanDerWaalsContact O-N 3.09Å
390S97.4Very high95.6Very high0 Ų017.9 Ų17.90%09%0.094CC..THydrogen-bonded Turntrans-130.9-92178.563.50000111.8L225 A386 Y387 Y388 H392 E393 L394L225-S390 WeakPolarHBondContact CD2-O 3.47Å; A386-S390 VanDerWaalsContact O-CB 3.31Å; A386-S390 WeakPolarHBondContact O-CB 3.42Å; A386-S390 PolarHBondContact O-N 2.95Å; A386-S390 PolarHBondContact O-OG 3.24Å; Y387-S390 PolarHBondContact O-N 2.92Å; Y388-S390 VanDerWaalsContact C-N 3.3Å; Y388-S390 PolarHBondContact O-N 2.62Å; S390-H392 VanDerWaalsContact C-N 3.26Å; S390-H392 PolarHBondContact O-N 3.47Å; S390-E393 PolarHBondContact O-N 3.19Å; S390-L394 PolarHBondContact O-N 3.33Å
391L97.7Very high95.6Very high1 Ų116.9 Ų16.91%0.0058%0.084CC..THydrogen-bonded Turntrans-59.5-38.5-174.4-168.1156.4000111.8L265 I270 V369 Y387 E393 P395 I470L265-L391 HydrophobicContact CD1-CD1 4.23Å; L265-L391 HydrophobicContact CD1-CG 4.27Å; L265-L391 HydrophobicContact CD2-CD2 4.31Å; L265-L391 HydrophobicContact CD2-CG 3.94Å; L265-L391 HydrophobicContact CG-CD1 4.38Å; L265-L391 HydrophobicContact CG-CD2 4Å; L265-L391 HydrophobicContact CG-CG 3.93Å; I270-L391 HydrophobicContact CG1-CD1 4.07Å; V369-L391 HydrophobicContact CG2-CB 3.75Å; V369-L391 HydrophobicContact CG2-CG 4.39Å; Y387-L391 HydrophobicContact CD2-CB 4.15Å; Y387-L391 HydrophobicContact CE2-CB 3.97Å; Y387-L391 HydrophobicContact CE2-CD1 4.24Å; Y387-L391 HydrophobicContact CE2-CD2 3.76Å; Y387-L391 HydrophobicContact CE2-CG 4.19Å; Y387-L391 PolarHBondContact O-N 3.49Å; L391-E393 PolarHBondContact O-N 3.4Å; L391-P395 WeakPolarHBondContact O-CD 3.19Å; L391-I470 HydrophobicContact CB-CD1 3.87Å; L391-I470 HydrophobicContact CB-CG1 4.45Å; L391-I470 HydrophobicContact CD1-CD1 4.02Å; L391-I470 HydrophobicContact CD1-CG1 4.2Å
392H94Very high95.5Very high33 Ų3317 Ų1715%0.1539%0.085CC..THydrogen-bonded Turntrans-64.1-42.4-175.1-175.963.9000113.5Y387 Y388 S390 P395Y387-H392 HydrophobicContact CD1-CB 4.29Å; Y387-H392 HydrophobicContact CE1-CB 3.9Å; Y387-H392 PolarHBondContact O-N 3.47Å; Y388-H392 HydrophobicContact CD1-CB 4Å; Y388-H392 AromaticContact CD1-CD2 3.57Å; Y388-H392 AromaticContact CD1-CG 3.66Å; Y388-H392 WeakPolarHBondContact O-CB 3.31Å; S390-H392 VanDerWaalsContact C-N 3.26Å; S390-H392 PolarHBondContact O-N 3.47Å; H392-P395 WeakPolarHBondContact O-CD 3.14Å
393E92.7Very high95.4Very high26 Ų2622.1 Ų22.112%0.12110%0.101CC..THydrogen-bonded Turntrans-88.2-19.8-175-72-177.2122.300113.4L225 Y388 S390 L391 P395 L396 I397L225-E393 HydrophobicContact CD1-CB 4.03Å; L225-E393 HydrophobicContact CD2-CB 3.88Å; Y388-E393 WeakPolarHBondContact O-CG 3.36Å; S390-E393 PolarHBondContact O-N 3.19Å; L391-E393 PolarHBondContact O-N 3.4Å; E393-P395 VanDerWaalsContact C-CD 3.41Å; E393-P395 VanDerWaalsContact C-N 3.34Å; E393-L396 WeakPolarHBondContact O-CB 3.46Å; E393-L396 PolarHBondContact O-N 3.47Å; E393-I397 PolarHBondContact O-N 3.2Å
394L96.6Very high95.3Very high0 Ų024.2 Ų24.20%011%0.109CC..Hα-helixtrans-50.8-43.3-177.3-166.862.3000114.5I224 L225 L229 T262 L265 V365 S390 L396 I397 A398I224-L394 HydrophobicContact CD1-CD1 4.27Å; I224-L394 HydrophobicContact CD1-CD2 4Å; I224-L394 HydrophobicContact CG1-CD1 4.03Å; I224-L394 HydrophobicContact CG1-CD2 4.03Å; I224-L394 WeakPolarHBondContact O-CD1 3.34Å; L225-L394 HydrophobicContact CD2-CB 4.07Å; L225-L394 HydrophobicContact CD2-CD1 4.11Å; L229-L394 HydrophobicContact CD1-CD1 3.54Å; L229-L394 HydrophobicContact CD2-CD1 4.15Å; T262-L394 HydrophobicContact CG2-CD2 4.11Å; T262-L394 HydrophobicContact CG2-CG 4.05Å; L265-L394 HydrophobicContact CD2-CB 4.36Å; L265-L394 HydrophobicContact CD2-CD2 3.76Å; V365-L394 HydrophobicContact CG1-CD2 3.72Å; S390-L394 PolarHBondContact O-N 3.33Å; L394-L396 VanDerWaalsContact C-N 3.29Å; L394-L396 PolarHBondContact O-N 2.95Å; L394-I397 PolarHBondContact O-N 3.27Å; L394-A398 WeakPolarHBondContact O-CB 3.36Å; L394-A398 PolarHBondContact O-N 2.62Å
395P94.6Very high95.4Very high6 Ų623.8 Ų23.84%0.03911%0.106CC..Hα-helixtrans-62.7-33.2176.9-20.533000113.4K266 L391 H392 E393 A398 N399K266-P395 HydrophobicContact CB-CB 4.16Å; K266-P395 HydrophobicContact CB-CG 3.73Å; K266-P395 HydrophobicContact CD-CB 4.35Å; K266-P395 HydrophobicContact CG-CG 4.29Å; L391-P395 WeakPolarHBondContact O-CD 3.19Å; H392-P395 WeakPolarHBondContact O-CD 3.14Å; E393-P395 VanDerWaalsContact C-CD 3.41Å; E393-P395 VanDerWaalsContact C-N 3.34Å; P395-A398 PolarHBondContact O-N 3Å; P395-N399 PolarHBondContact O-N 3.23Å; P395-N399 VanDerWaalsContact O-N 3.12Å; P395-N399 PolarHBondContact O-ND2 2.73Å; P395-N399 PolarHBondContact O-OD1 2.86Å
396L90.4Very high95.6Very high30 Ų3023.7 Ų23.716%0.15711%0.105CC..Hα-helixtrans-69.9-39.2179.3-67.7165.2000111.1C156 E160 E393 L394 N399C156-L396 HydrophobicContact CB-CD1 4.15Å; C156-L396 VanDerWaalsContact SG-CD1 3.53Å; E160-L396 HydrophobicContact CG-CD2 4.48Å; E393-L396 WeakPolarHBondContact O-CB 3.46Å; E393-L396 PolarHBondContact O-N 3.47Å; L394-L396 VanDerWaalsContact C-N 3.29Å; L394-L396 PolarHBondContact O-N 2.95Å; L396-N399 WeakPolarHBondContact O-CB 3.37Å; L396-N399 PolarHBondContact O-N 3.35Å
397I93.5Very high95.6Very high21 Ų2129.7 Ų29.711%0.10813%0.129CC..Hα-helixtrans-70.3-40.3175.7-55-56.3000110.7L225 L229 E393 L394 N399 T400 I401 M409 I413L225-I397 HydrophobicContact CB-CG1 4.21Å; L225-I397 VanDerWaalsContact O-CG2 3.26Å; L225-I397 WeakPolarHBondContact O-CG2 3.45Å; L229-I397 HydrophobicContact CD2-CB 4.43Å; L229-I397 HydrophobicContact CD2-CG2 4.04Å; E393-I397 PolarHBondContact O-N 3.2Å; L394-I397 PolarHBondContact O-N 3.27Å; I397-N399 VanDerWaalsContact C-N 3.26Å; I397-N399 PolarHBondContact O-N 3.41Å; I397-T400 WeakPolarHBondContact O-CB 3.35Å; I397-T400 PolarHBondContact O-N 3.01Å; I397-T400 PolarHBondContact O-OG1 3.45Å; I397-I401 PolarHBondContact O-N 3.02Å; I397-M409 HydrophobicContact CG2-CG 3.79Å; I397-M409 HydrophobicContact CG2-SD 3.71Å; I397-I413 HydrophobicContact CD1-CG2 4.23Å
398A96.4Very high95.5Very high0 Ų031 Ų310%014%0.135CC..Hα-helixtrans-57.1-38.3174.600000112.8L229 W258 T262 L394 P395 T400 I401 A402L229-A398 HydrophobicContact CD2-CB 4.32Å; W258-A398 HydrophobicContact CB-CB 4.02Å; T262-A398 HydrophobicContact CG2-CB 4.27Å; T262-A398 VanDerWaalsContact OG1-CB 3.25Å; T262-A398 WeakPolarHBondContact OG1-CB 3.46Å; L394-A398 WeakPolarHBondContact O-CB 3.36Å; L394-A398 PolarHBondContact O-N 2.62Å; P395-A398 PolarHBondContact O-N 3Å; A398-T400 PolarHBondContact O-N 3Å; A398-I401 PolarHBondContact O-N 3.45Å; A398-A402 PolarHBondContact O-N 2.77Å
399N93.5Very high95.6Very high51 Ų5130.8 Ų30.827%0.27313%0.134SC..Hα-helixtrans-61.6-29.1175.1-65.1-20000113.1E259 P395 L396 I397 R403E259-N399 WeakPolarHBondContact CG-OD1 3.41Å; E259-N399 PolarHBondContact OE1-OD1 2.81Å; P395-N399 PolarHBondContact O-N 3.23Å; P395-N399 VanDerWaalsContact O-N 3.12Å; P395-N399 PolarHBondContact O-ND2 2.73Å; P395-N399 PolarHBondContact O-OD1 2.86Å; L396-N399 WeakPolarHBondContact O-CB 3.37Å; L396-N399 PolarHBondContact O-N 3.35Å; I397-N399 VanDerWaalsContact C-N 3.26Å; I397-N399 PolarHBondContact O-N 3.41Å; N399-R403 WeakPolarHBondContact O-CB 3.25Å; N399-R403 PolarHBondContact O-N 3.37Å
400T93.7Very high95.7Very high9 Ų931.1 Ų31.16%0.05514%0.136CC..Hα-helixtrans-68.6-42.8176.870.80000110.8I397 A398 R403 K404 E408 M409 V412I397-T400 WeakPolarHBondContact O-CB 3.35Å; I397-T400 PolarHBondContact O-N 3.01Å; I397-T400 PolarHBondContact O-OG1 3.45Å; A398-T400 PolarHBondContact O-N 3Å; T400-R403 WeakPolarHBondContact O-CB 3.36Å; T400-R403 PolarHBondContact O-N 3.49Å; T400-K404 PolarHBondContact O-N 3.3Å; T400-K404 VanDerWaalsContact O-N 3.09Å; T400-E408 WeakPolarHBondContact O-CB 3.37Å; T400-E408 WeakPolarHBondContact O-CG 3.32Å; T400-M409 VanDerWaalsContact OG1-CA 3.29Å; T400-M409 WeakPolarHBondContact OG1-CA 3.44Å; T400-M409 WeakPolarHBondContact OG1-CB 3.49Å; T400-V412 HydrophobicContact CG2-CB 4.4Å; T400-V412 HydrophobicContact CG2-CG1 4.09Å
401I97.5Very high95.4Very high0 Ų035.1 Ų35.10%016%0.16CC..Hα-helixtrans-64-44.8175.4-58.6-178.7000110.5L229 Q255 I397 A398 R403 K404 R405 L406 M409L229-I401 HydrophobicContact CB-CD1 3.76Å; L229-I401 HydrophobicContact CD2-CD1 3.78Å; L229-I401 HydrophobicContact CG-CD1 4.01Å; Q255-I401 VanDerWaalsContact CG-O 3.32Å; Q255-I401 WeakPolarHBondContact CG-O 3.1Å; I397-I401 PolarHBondContact O-N 3.02Å; A398-I401 PolarHBondContact O-N 3.45Å; I401-R403 PolarHBondContact O-N 2.97Å; I401-K404 PolarHBondContact O-N 3.28Å; I401-R405 WeakPolarHBondContact CA-O 3.29Å; I401-R405 WeakPolarHBondContact O-CA 3.43Å; I401-R405 PolarHBondContact O-N 3.04Å; I401-L406 HydrophobicContact CD1-CD2 4.11Å; I401-M409 HydrophobicContact CD1-SD 3.82Å; I401-M409 HydrophobicContact CG1-CB 4.05Å; I401-M409 HydrophobicContact CG1-CG 4.45Å; I401-M409 HydrophobicContact CG1-SD 4.05Å
402A97Very high95Very high5 Ų538.2 Ų38.24%0.04118%0.179CC..Hα-helixtrans-57.3-39.7175.600000111.9Q255 F256 E259 A398Q255-A402 PolarHBondContact NE2-O 3.01Å; Q255-A402 VanDerWaalsContact O-CA 3.29Å; Q255-A402 WeakPolarHBondContact O-CA 3.32Å; Q255-A402 PolarHBondContact O-N 2.84Å; F256-A402 HydrophobicContact CD1-CB 4.02Å; F256-A402 HydrophobicContact CE1-CB 4.29Å; F256-A402 WeakPolarHBondContact CE1-O 3.13Å; E259-A402 HydrophobicContact CB-CB 3.74Å; E259-A402 HydrophobicContact CG-CB 4.15Å; E259-A402 WeakPolarHBondContact OE1-CB 3.21Å; E259-A402 WeakPolarHBondContact OE2-CB 3.42Å; A398-A402 PolarHBondContact O-N 2.77Å
403R94.7Very high94.7Very high166 Ų16638 Ų3863%0.62618%0.179SC*.Hα-helixtrans-66-52.1178.8-172-174.2-63.9158.81.8112.4N399 T400 I401 E408N399-R403 WeakPolarHBondContact O-CB 3.25Å; N399-R403 PolarHBondContact O-N 3.37Å; T400-R403 WeakPolarHBondContact O-CB 3.36Å; T400-R403 PolarHBondContact O-N 3.49Å; I401-R403 PolarHBondContact O-N 2.97Å; R403-E408 HydrophobicContact CB-CG 4.35Å; R403-E408 VanDerWaalsContact CD-OE1 3.25Å; R403-E408 WeakPolarHBondContact CD-OE1 3.44Å; R403-E408 IonicContact CZ-OE1 2.71Å; R403-E408 IonicContact NE-OE1 3.59Å; R403-E408 IonicContact NH1-OE1 3.8Å; R403-E408 PolarHBondContact NH1-OE1 3.09Å
404K96.8Very high94.6Very high118 Ų11838.7 Ų38.751%0.51319%0.187SC..Hα-helixtrans-161.755.4-175.5-172.5-177.2-175.2-175.70113.3T400 I401 Y407 E408T400-K404 PolarHBondContact O-N 3.3Å; T400-K404 VanDerWaalsContact O-N 3.09Å; I401-K404 PolarHBondContact O-N 3.28Å; K404-Y407 HydrophobicContact CD-CD1 4.13Å; K404-Y407 HydrophobicContact CD-CE1 4.42Å; K404-Y407 HydrophobicContact CG-CD1 4.36Å; K404-E408 HydrophobicContact CB-CB 3.77Å; K404-E408 HydrophobicContact CB-CG 4.37Å; K404-E408 WeakPolarHBondContact O-CB 3.48Å; K404-E408 PolarHBondContact O-N 2.96Å
405R98Very high94.4Very high24 Ų2441.3 Ų41.39%0.09120%0.201CC..Hα-helixtrans56-156168.8-54.2-177.6-177.1170.8-2.6113.9E251 Q255 F339 E340 A342 I401 Y407 E408 M409E251-R405 IonicContact OE1-CZ 3.39Å; E251-R405 IonicContact OE1-NE 3.11Å; E251-R405 PolarHBondContact OE1-NE 3.2Å; E251-R405 IonicContact OE1-NH2 2.92Å; E251-R405 PolarHBondContact OE1-NH2 3.38Å; E251-R405 IonicContact OE2-NH2 2.72Å; Q255-R405 HydrophobicContact CG-CG 4.3Å; F339-R405 HydrophobicContact CE1-CB 4.11Å; F339-R405 HydrophobicContact CE1-CG 4.4Å; F339-R405 HydrophobicContact CZ-CB 4.49Å; F339-R405 HydrophobicContact CZ-CG 4.36Å; F339-R405 PolarHBondContact O-NH1 2.8Å; E340-R405 VanDerWaalsContact C-NH1 3.3Å; E340-R405 PolarHBondContact O-NH1 2.76Å; E340-R405 WeakPolarHBondContact OE1-CB 3.41Å; E340-R405 VanDerWaalsContact OE2-CB 3.3Å; E340-R405 WeakPolarHBondContact OE2-CB 3.48Å; A342-R405 VanDerWaalsContact O-CZ 3.28Å; A342-R405 PolarHBondContact O-NH1 3.28Å; A342-R405 PolarHBondContact O-NH2 3.22Å; I401-R405 WeakPolarHBondContact CA-O 3.29Å; I401-R405 WeakPolarHBondContact O-CA 3.43Å; I401-R405 PolarHBondContact O-N 3.04Å; R405-Y407 PolarHBondContact O-N 2.98Å; R405-E408 PolarHBondContact O-N 3.33Å; R405-M409 PolarHBondContact O-N 3.49Å
406L98.5Very high94.4Very high0 Ų041.1 Ų41.10%020%0.199CC..Hα-helixtrans-69.1-27.1-178.4-56.3178.2000111.4Q230 L234 T334 F339 E340 I401 E408 M409 N410Q230-L406 HydrophobicContact CB-CD2 4.21Å; Q230-L406 HydrophobicContact CG-CD1 3.94Å; Q230-L406 HydrophobicContact CG-CD2 4.48Å; L234-L406 HydrophobicContact CD2-CD1 3.9Å; L234-L406 HydrophobicContact CG-CD1 4.22Å; T334-L406 HydrophobicContact CG2-CB 4.19Å; T334-L406 HydrophobicContact CG2-CD1 4.09Å; F339-L406 HydrophobicContact CD1-CD1 4.1Å; F339-L406 HydrophobicContact CD1-CG 4.06Å; F339-L406 HydrophobicContact CE1-CD1 4.46Å; F339-L406 HydrophobicContact CE1-CD2 4.43Å; F339-L406 HydrophobicContact CE1-CG 3.95Å; E340-L406 PolarHBondContact OE1-N 3.17Å; E340-L406 WeakPolarHBondContact OE2-CB 3.48Å; E340-L406 PolarHBondContact OE2-N 2.83Å; E340-L406 VanDerWaalsContact OE2-N 3.08Å; I401-L406 HydrophobicContact CD1-CD2 4.11Å; L406-E408 PolarHBondContact O-N 3.37Å; L406-M409 HydrophobicContact CD2-CE 4.23Å; L406-M409 PolarHBondContact O-N 3.2Å; L406-N410 WeakPolarHBondContact O-CB 3.42Å; L406-N410 PolarHBondContact O-N 3.15Å; L406-N410 PolarHBondContact O-ND2 3.17Å; L406-N410 VanDerWaalsContact O-ND2 3.11Å
407Y98.3Very high94.6Very high126 Ų12639.8 Ų39.849%0.49419%0.192SC..Hα-helixtrans-55.4-50173.2172-88.8000111.8E340 K404 R405 N410 V411E340-Y407 WeakPolarHBondContact OE1-CA 3.5Å; E340-Y407 WeakPolarHBondContact OE1-CB 3.39Å; E340-Y407 PolarHBondContact OE1-N 3.2Å; K404-Y407 HydrophobicContact CD-CD1 4.13Å; K404-Y407 HydrophobicContact CD-CE1 4.42Å; K404-Y407 HydrophobicContact CG-CD1 4.36Å; R405-Y407 PolarHBondContact O-N 2.98Å; Y407-N410 PolarHBondContact O-N 3.4Å; Y407-V411 HydrophobicContact CE1-CG1 4.12Å; Y407-V411 WeakPolarHBondContact O-CB 3.34Å; Y407-V411 WeakPolarHBondContact O-CG1 3.47Å; Y407-V411 PolarHBondContact O-N 3.19Å
408E95.7Very high94.8Very high30 Ų3038.8 Ų38.814%0.1419%0.187CC..Hα-helixtrans-67.4-41.1-179.6-175.176.517600111.5T400 R403 K404 R405 L406 N410 V411 V412T400-E408 WeakPolarHBondContact O-CB 3.37Å; T400-E408 WeakPolarHBondContact O-CG 3.32Å; R403-E408 HydrophobicContact CB-CG 4.35Å; R403-E408 VanDerWaalsContact CD-OE1 3.25Å; R403-E408 WeakPolarHBondContact CD-OE1 3.44Å; R403-E408 IonicContact CZ-OE1 2.71Å; R403-E408 IonicContact NE-OE1 3.59Å; R403-E408 IonicContact NH1-OE1 3.8Å; R403-E408 PolarHBondContact NH1-OE1 3.09Å; K404-E408 HydrophobicContact CB-CB 3.77Å; K404-E408 HydrophobicContact CB-CG 4.37Å; K404-E408 WeakPolarHBondContact O-CB 3.48Å; K404-E408 PolarHBondContact O-N 2.96Å; R405-E408 PolarHBondContact O-N 3.33Å; L406-E408 PolarHBondContact O-N 3.37Å; E408-N410 PolarHBondContact O-N 3.31Å; E408-V411 PolarHBondContact O-N 3.32Å; E408-V412 HydrophobicContact CG-CG2 4.04Å; E408-V412 WeakPolarHBondContact O-CB 3.25Å; E408-V412 WeakPolarHBondContact O-CG2 3.45Å; E408-V412 PolarHBondContact O-N 3.04Å
409M96.3Very high94.9Very high0 Ų039 Ų390%019%0.188CC..Hα-helixtrans-55.3-55.2175-173.1-177.874.400110.5C226 L229 Q230 I397 T400 I401 R405 L406 V411 V412 I413 N421C226-M409 HydrophobicContact CB-CE 4.09Å; C226-M409 HydrophobicContact CB-SD 4.21Å; L229-M409 HydrophobicContact CB-SD 4.35Å; Q230-M409 HydrophobicContact CB-CE 4.07Å; I397-M409 HydrophobicContact CG2-CG 3.79Å; I397-M409 HydrophobicContact CG2-SD 3.71Å; T400-M409 VanDerWaalsContact OG1-CA 3.29Å; T400-M409 WeakPolarHBondContact OG1-CA 3.44Å; T400-M409 WeakPolarHBondContact OG1-CB 3.49Å; I401-M409 HydrophobicContact CD1-SD 3.82Å; I401-M409 HydrophobicContact CG1-CB 4.05Å; I401-M409 HydrophobicContact CG1-CG 4.45Å; I401-M409 HydrophobicContact CG1-SD 4.05Å; R405-M409 PolarHBondContact O-N 3.49Å; L406-M409 HydrophobicContact CD2-CE 4.23Å; L406-M409 PolarHBondContact O-N 3.2Å; M409-V411 VanDerWaalsContact C-N 3.34Å; M409-V411 PolarHBondContact O-N 3.29Å; M409-V412 PolarHBondContact O-N 2.92Å; M409-I413 WeakPolarHBondContact O-CG1 3.37Å; M409-I413 WeakPolarHBondContact O-CG2 3.32Å; M409-I413 PolarHBondContact O-N 2.86Å; M409-I413 VanDerWaalsContact O-N 3.13Å; M409-N421 VanDerWaalsContact CE-ND2 3.31Å; M409-N421 WeakPolarHBondContact CE-ND2 3.37Å
410N96.7Very high95.1Very high7 Ų736.5 Ų36.54%0.03718%0.175CC..Hα-helixtrans-69.5-25.7-174.4-72.6-41.9000113.8Q230 L406 Y407 E408 E418 N421 Y422Q230-N410 PolarHBondContact OE1-ND2 2.64Å; Q230-N410 VanDerWaalsContact OE1-ND2 3.08Å; L406-N410 WeakPolarHBondContact O-CB 3.42Å; L406-N410 PolarHBondContact O-N 3.15Å; L406-N410 PolarHBondContact O-ND2 3.17Å; L406-N410 VanDerWaalsContact O-ND2 3.11Å; Y407-N410 PolarHBondContact O-N 3.4Å; E408-N410 PolarHBondContact O-N 3.31Å; N410-E418 HydrophobicContact CB-CG 4.06Å; N410-N421 PolarHBondContact OD1-ND2 3.11Å; N410-Y422 PolarHBondContact ND2-OH 3.37Å
411V91.5Very high95.3Very high85 Ų8536.1 Ų36.152%0.51517%0.172SC..Hα-helixtrans-87-19.3175.282.40000113.5Y407 E408 M409Y407-V411 HydrophobicContact CE1-CG1 4.12Å; Y407-V411 WeakPolarHBondContact O-CB 3.34Å; Y407-V411 WeakPolarHBondContact O-CG1 3.47Å; Y407-V411 PolarHBondContact O-N 3.19Å; E408-V411 PolarHBondContact O-N 3.32Å; M409-V411 VanDerWaalsContact C-N 3.34Å; M409-V411 PolarHBondContact O-N 3.29Å
412V88.1Confident95.4Very high65 Ų6536.2 Ų36.239%0.39417%0.173SC..Hα-helixtrans-85.2-37.8179.3166.80000111.6T400 E408 M409T400-V412 HydrophobicContact CG2-CB 4.4Å; T400-V412 HydrophobicContact CG2-CG1 4.09Å; E408-V412 HydrophobicContact CG-CG2 4.04Å; E408-V412 WeakPolarHBondContact O-CB 3.25Å; E408-V412 WeakPolarHBondContact O-CG2 3.45Å; E408-V412 PolarHBondContact O-N 3.04Å; M409-V412 PolarHBondContact O-N 2.92Å
413I89.2Confident95.5Very high29 Ų2938.3 Ų38.315%0.14918%0.183CC..SBendtrans-74.8170.2177.768.8-173.8000111.6C226 I397 M409 A417 E418C226-I413 HydrophobicContact CB-CD1 4.24Å; I397-I413 HydrophobicContact CD1-CG2 4.23Å; M409-I413 WeakPolarHBondContact O-CG1 3.37Å; M409-I413 WeakPolarHBondContact O-CG2 3.32Å; M409-I413 PolarHBondContact O-N 2.86Å; M409-I413 VanDerWaalsContact O-N 3.13Å; I413-A417 HydrophobicContact CB-CB 3.69Å; I413-A417 HydrophobicContact CD1-CB 3.78Å; I413-A417 HydrophobicContact CG1-CB 3.81Å; I413-E418 HydrophobicContact CD1-CB 4.08Å; I413-E418 HydrophobicContact CG1-CB 4.16Å
414S90.1Very high95.7Very high41 Ų4130.4 Ų30.429%0.28715%0.153SC..  trans-72.2159.717772.20000111.2T416 A417 E418S414-T416 PolarHBondContact O-N 2.77Å; S414-T416 WeakPolarHBondContact OG-CB 3.44Å; S414-T416 PolarHBondContact OG-N 3.46Å; S414-A417 WeakPolarHBondContact O-CB 3.1Å; S414-A417 PolarHBondContact O-N 3.35Å; S414-A417 VanDerWaalsContact O-N 3.14Å; S414-A417 WeakPolarHBondContact OG-CB 3.35Å; S414-A417 PolarHBondContact OG-N 2.93Å; S414-E418 PolarHBondContact O-N 3.03Å
415D91.8Very high95.7Very high55 Ų5524.9 Ų24.929%0.29413%0.129SC..Hα-helixtrans-59.2-27.5171.4-73.2-22.8000111.3L327 R331 Y419L327-D415 HydrophobicContact CD1-CB 3.99Å; R331-D415 IonicContact NH2-OD1 3.46Å; R331-D415 PolarHBondContact NH2-OD1 2.68Å; D415-Y419 VanDerWaalsContact O-CB 3.27Å; D415-Y419 WeakPolarHBondContact O-CB 3.45Å; D415-Y419 PolarHBondContact O-N 3.47Å
416T94.4Very high95.7Very high1 Ų127.3 Ų27.31%0.00614%0.139CC..Hα-helixtrans-65.1-50.7174-54.30000111.1F134 L218 E221 F312 M316 S414 E418 Y419 G420F134-T416 HydrophobicContact CD2-CG2 4.33Å; F134-T416 HydrophobicContact CE2-CG2 4.12Å; L218-T416 HydrophobicContact CD2-CG2 3.45Å; L218-T416 VanDerWaalsContact CD2-CG2 3.45Å; E221-T416 WeakPolarHBondContact OE1-CG2 3.18Å; F312-T416 HydrophobicContact CE1-CG2 4.22Å; F312-T416 HydrophobicContact CZ-CG2 4.22Å; M316-T416 HydrophobicContact CE-CG2 3.73Å; M316-T416 VanDerWaalsContact SD-CA 3.6Å; M316-T416 HydrophobicContact SD-CG2 3.82Å; S414-T416 PolarHBondContact O-N 2.77Å; S414-T416 WeakPolarHBondContact OG-CB 3.44Å; S414-T416 PolarHBondContact OG-N 3.46Å; T416-E418 PolarHBondContact O-N 2.71Å; T416-Y419 PolarHBondContact O-N 2.77Å; T416-G420 PolarHBondContact O-N 3.15Å
417A94.7Very high95.8Very high2 Ų229.2 Ų29.22%0.01716%0.155CC..Hα-helixtrans-62-43.7177.400000111.9E221 I413 S414 G420 N421E221-A417 HydrophobicContact CB-CB 4.07Å; E221-A417 VanDerWaalsContact CD-CA 3.41Å; E221-A417 HydrophobicContact CG-CB 4.1Å; E221-A417 WeakPolarHBondContact OE1-CA 3.27Å; E221-A417 PolarHBondContact OE1-N 3.02Å; E221-A417 WeakPolarHBondContact OE2-CB 3.35Å; I413-A417 HydrophobicContact CB-CB 3.69Å; I413-A417 HydrophobicContact CD1-CB 3.78Å; I413-A417 HydrophobicContact CG1-CB 3.81Å; S414-A417 WeakPolarHBondContact O-CB 3.1Å; S414-A417 PolarHBondContact O-N 3.35Å; S414-A417 VanDerWaalsContact O-N 3.14Å; S414-A417 WeakPolarHBondContact OG-CB 3.35Å; S414-A417 PolarHBondContact OG-N 2.93Å; A417-G420 PolarHBondContact O-N 2.63Å; A417-N421 WeakPolarHBondContact O-CB 3.46Å; A417-N421 PolarHBondContact O-N 3.41Å
418E97.5Very high95.8Very high0 Ų023.2 Ų23.20%013%0.132CC..Hα-helixtrans-66.4-44.7179.5179.9178.7-174.500111.7R331 N410 I413 S414 T416 G420 N421 Y422R331-E418 WeakPolarHBondContact CG-OE1 3.27Å; R331-E418 IonicContact CZ-OE1 2.7Å; R331-E418 IonicContact CZ-OE2 2.68Å; R331-E418 IonicContact NE-OE1 2.71Å; R331-E418 PolarHBondContact NE-OE1 2.58Å; R331-E418 IonicContact NE-OE2 3.5Å; R331-E418 PolarHBondContact NE-OE2 3.33Å; R331-E418 IonicContact NH2-OE1 2.85Å; R331-E418 IonicContact NH2-OE2 3.5Å; R331-E418 PolarHBondContact NH2-OE2 2.88Å; N410-E418 HydrophobicContact CB-CG 4.06Å; I413-E418 HydrophobicContact CD1-CB 4.08Å; I413-E418 HydrophobicContact CG1-CB 4.16Å; S414-E418 PolarHBondContact O-N 3.03Å; T416-E418 PolarHBondContact O-N 2.71Å; E418-G420 VanDerWaalsContact C-N 3.28Å; E418-G420 PolarHBondContact O-N 2.86Å; E418-N421 WeakPolarHBondContact O-CB 3.28Å; E418-N421 PolarHBondContact O-N 3.16Å; E418-Y422 HydrophobicContact CG-CD2 3.95Å; E418-Y422 HydrophobicContact CG-CE1 4.49Å; E418-Y422 HydrophobicContact CG-CE2 3.27Å; E418-Y422 VanDerWaalsContact O-CD2 3.29Å; E418-Y422 WeakPolarHBondContact O-CD2 3.33Å; E418-Y422 PolarHBondContact O-N 3.08Å; E418-Y422 WeakPolarHBondContact OE1-CE2 3.26Å; E418-Y422 VanDerWaalsContact OE1-CZ 3.26Å; E418-Y422 PolarHBondContact OE1-OH 2.74Å
419Y98.4Very high95.9Very high4 Ų423.2 Ų23.22%0.01613%0.133CC..Hα-helixtrans-59.5-44.6174.4-171.1-86.5000111.1F312 G315 M316 D319 K326 L327 W330 D415 T416 Y422 L423F312-Y419 HydrophobicContact CE2-CD1 4.03Å; G315-Y419 PolarHBondContact O-OH 2.97Å; M316-Y419 HydrophobicContact CB-CD1 3.85Å; M316-Y419 HydrophobicContact CB-CE1 3.85Å; M316-Y419 HydrophobicContact CB-CG 4.35Å; M316-Y419 HydrophobicContact CG-CD1 3.79Å; M316-Y419 HydrophobicContact CG-CD2 4.21Å; M316-Y419 HydrophobicContact CG-CE1 4.19Å; M316-Y419 HydrophobicContact CG-CG 3.79Å; M316-Y419 HydrophobicContact SD-CD1 4.33Å; M316-Y419 HydrophobicContact SD-CG 4.28Å; D319-Y419 HydrophobicContact CB-CE2 3.68Å; D319-Y419 WeakPolarHBondContact OD2-CE2 3.49Å; K326-Y419 HydrophobicContact CB-CE2 4.2Å; K326-Y419 WeakPolarHBondContact CE-OH 3.32Å; K326-Y419 PolarHBondContact NZ-OH 3.29Å; L327-Y419 HydrophobicContact CB-CD2 4.07Å; L327-Y419 HydrophobicContact CD1-CD2 4.46Å; W330-Y419 HydrophobicContact CZ3-CD2 4.24Å; W330-Y419 HydrophobicContact CZ3-CE1 4.46Å; W330-Y419 AromaticContact CZ3-CE2 3.88Å; W330-Y419 HydrophobicContact CZ3-CE2 3.88Å; D415-Y419 VanDerWaalsContact O-CB 3.27Å; D415-Y419 WeakPolarHBondContact O-CB 3.45Å; D415-Y419 PolarHBondContact O-N 3.47Å; T416-Y419 PolarHBondContact O-N 2.77Å; Y419-Y422 PolarHBondContact O-N 2.79Å; Y419-L423 PolarHBondContact O-N 3.17Å
420G98.3Very high96Very high0 Ų026.6 Ų26.60%016%0.155CC..Hα-helixtrans-59.7-46.7176.500000113.5Q222 T416 A417 E418 Y422 L423 F424Q222-G420 VanDerWaalsContact CG-CA 3.46Å; T416-G420 PolarHBondContact O-N 3.15Å; A417-G420 PolarHBondContact O-N 2.63Å; E418-G420 VanDerWaalsContact C-N 3.28Å; E418-G420 PolarHBondContact O-N 2.86Å; G420-Y422 PolarHBondContact O-N 2.93Å; G420-L423 PolarHBondContact O-N 3.06Å; G420-F424 PolarHBondContact O-N 3.36Å
421N98.6Very high96.1Very high0 Ų029.4 Ų29.40%017%0.17CC..Hα-helixtrans-53.9-50.8172.6169.216.9000110.9C226 G227 Q230 M409 N410 A417 E418 L423 F424 S425C226-N421 HydrophobicContact CB-CB 3.68Å; G227-N421 WeakPolarHBondContact CA-OD1 3.41Å; Q230-N421 VanDerWaalsContact CB-OD1 3.3Å; Q230-N421 WeakPolarHBondContact CB-OD1 3.19Å; Q230-N421 PolarHBondContact OE1-ND2 3.05Å; M409-N421 VanDerWaalsContact CE-ND2 3.31Å; M409-N421 WeakPolarHBondContact CE-ND2 3.37Å; N410-N421 PolarHBondContact OD1-ND2 3.11Å; A417-N421 WeakPolarHBondContact O-CB 3.46Å; A417-N421 PolarHBondContact O-N 3.41Å; E418-N421 WeakPolarHBondContact O-CB 3.28Å; E418-N421 PolarHBondContact O-N 3.16Å; N421-L423 VanDerWaalsContact C-N 3.35Å; N421-L423 PolarHBondContact O-N 2.81Å; N421-F424 PolarHBondContact O-N 3.48Å; N421-S425 VanDerWaalsContact O-CB 3.3Å; N421-S425 WeakPolarHBondContact O-CB 3.38Å; N421-S425 PolarHBondContact O-N 3.03Å; N421-S425 PolarHBondContact O-OG 2.89Å
422Y98.7Very high96.5Very high2 Ų225.4 Ų25.41%0.00815%0.146CC..Hα-helixtrans-63.9-41.3-179.7-63.2-35.3000112.3Q230 W330 R331 T334 N410 E418 Y419 G420 F424 S425 Y426Q230-Y422 VanDerWaalsContact NE2-CD1 3.3Å; W330-Y422 HydrophobicContact CB-CD1 4.12Å; W330-Y422 HydrophobicContact CB-CD2 3.43Å; W330-Y422 VanDerWaalsContact CB-CD2 3.43Å; W330-Y422 HydrophobicContact CB-CE2 3.97Å; W330-Y422 HydrophobicContact CB-CG 3.53Å; W330-Y422 HydrophobicContact CD2-CG 4.46Å; W330-Y422 HydrophobicContact CE3-CD2 4.18Å; W330-Y422 HydrophobicContact CE3-CG 4.28Å; W330-Y422 HydrophobicContact CG-CD2 4.36Å; W330-Y422 HydrophobicContact CG-CG 4.24Å; R331-Y422 WeakPolarHBondContact CA-OH 3.37Å; R331-Y422 HydrophobicContact CB-CE2 3.99Å; T334-Y422 HydrophobicContact CG2-CE1 4.35Å; T334-Y422 VanDerWaalsContact OG1-CE1 3.26Å; T334-Y422 WeakPolarHBondContact OG1-CE1 3.46Å; N410-Y422 PolarHBondContact ND2-OH 3.37Å; E418-Y422 HydrophobicContact CG-CD2 3.95Å; E418-Y422 HydrophobicContact CG-CE1 4.49Å; E418-Y422 HydrophobicContact CG-CE2 3.27Å; E418-Y422 VanDerWaalsContact O-CD2 3.29Å; E418-Y422 WeakPolarHBondContact O-CD2 3.33Å; E418-Y422 PolarHBondContact O-N 3.08Å; E418-Y422 WeakPolarHBondContact OE1-CE2 3.26Å; E418-Y422 VanDerWaalsContact OE1-CZ 3.26Å; E418-Y422 PolarHBondContact OE1-OH 2.74Å; Y419-Y422 PolarHBondContact O-N 2.79Å; G420-Y422 PolarHBondContact O-N 2.93Å; Y422-F424 VanDerWaalsContact C-N 3.26Å; Y422-F424 PolarHBondContact O-N 2.81Å; Y422-S425 WeakPolarHBondContact CA-OG 3.34Å; Y422-S425 PolarHBondContact O-N 3.42Å; Y422-S425 PolarHBondContact O-OG 3.48Å; Y422-Y426 HydrophobicContact CD1-CE2 4.18Å; Y422-Y426 HydrophobicContact CG-CE2 4.49Å; Y422-Y426 WeakPolarHBondContact O-CB 3.17Å; Y422-Y426 VanDerWaalsContact O-CD2 3.27Å; Y422-Y426 WeakPolarHBondContact O-CD2 3.33Å; Y422-Y426 PolarHBondContact O-N 3.08Å
423L98.6Very high97Very high49 Ų4929 Ų2926%0.25716%0.156SC..Hα-helixtrans-57.4-43.2177.3-164.169.8000111.5F312 W330 Y419 G420 N421F312-L423 HydrophobicContact CD2-CD2 3.99Å; F312-L423 HydrophobicContact CE2-CD2 4.46Å; W330-L423 HydrophobicContact CH2-CD1 4.1Å; Y419-L423 PolarHBondContact O-N 3.17Å; G420-L423 PolarHBondContact O-N 3.06Å; N421-L423 VanDerWaalsContact C-N 3.35Å; N421-L423 PolarHBondContact O-N 2.81Å
424F98.8Very high97.4Very high0 Ų031.9 Ų31.90%018%0.177CC..Hα-helixtrans-72.6-53176.9-179.4-87.3000112.5Q222 T223 G227 M228 L299 F300 H303 G420 N421 Y422 Y426 A427 C428Q222-F424 WeakPolarHBondContact O-CB 3.3Å; Q222-F424 WeakPolarHBondContact O-CG 3.21Å; T223-F424 HydrophobicContact CG2-CD2 3.85Å; T223-F424 HydrophobicContact CG2-CE2 3.93Å; G227-F424 VanDerWaalsContact CA-CD1 3.47Å; M228-F424 HydrophobicContact CG-CE1 3.81Å; M228-F424 HydrophobicContact CG-CZ 3.85Å; M228-F424 HydrophobicContact SD-CE1 3.76Å; M228-F424 HydrophobicContact SD-CZ 3.71Å; L299-F424 HydrophobicContact CD2-CD2 4.21Å; L299-F424 HydrophobicContact CD2-CE2 3.88Å; L299-F424 HydrophobicContact CD2-CZ 4.23Å; L299-F424 HydrophobicContact CG-CD2 4.28Å; L299-F424 HydrophobicContact CG-CE2 4.06Å; F300-F424 AromaticContact CD2-CE2 3.83Å; F300-F424 HydrophobicContact CD2-CE2 3.83Å; F300-F424 HydrophobicContact CD2-CZ 4.18Å; F300-F424 AromaticContact CE2-CE2 3.55Å; F300-F424 HydrophobicContact CE2-CE2 3.55Å; F300-F424 AromaticContact CE2-CZ 3.44Å; F300-F424 HydrophobicContact CE2-CZ 3.44Å; F300-F424 VanDerWaalsContact CE2-CZ 3.44Å; F300-F424 AromaticContact CZ-CE2 3.99Å; F300-F424 HydrophobicContact CZ-CE2 3.99Å; F300-F424 AromaticContact CZ-CZ 3.78Å; F300-F424 HydrophobicContact CZ-CZ 3.78Å; H303-F424 AromaticContact CD2-CD2 3.82Å; H303-F424 PolarHBondContact CE1-N 3.31Å; H303-F424 WeakPolarHBondContact NE2-CA 3.21Å; H303-F424 AromaticContact NE2-CD2 3.74Å; G420-F424 PolarHBondContact O-N 3.36Å; N421-F424 PolarHBondContact O-N 3.48Å; Y422-F424 VanDerWaalsContact C-N 3.26Å; Y422-F424 PolarHBondContact O-N 2.81Å; F424-Y426 PolarHBondContact O-N 3.38Å; F424-A427 WeakPolarHBondContact O-CB 3.38Å; F424-A427 PolarHBondContact O-N 3.28Å; F424-C428 HydrophobicContact CD1-CB 3.96Å; F424-C428 HydrophobicContact CE1-CB 3.57Å; F424-C428 HydrophobicContact CZ-CB 4.02Å; F424-C428 WeakPolarHBondContact O-CB 3.37Å; F424-C428 PolarHBondContact O-N 3.4Å
425S98.6Very high97.8Very high2 Ų231 Ų311%0.01417%0.168CC..Hα-helixtrans-64.8-38.4-170.558.40000112.5Q230 N421 Y422 A427 C428 V429Q230-S425 PolarHBondContact NE2-OG 2.78Å; N421-S425 VanDerWaalsContact O-CB 3.3Å; N421-S425 WeakPolarHBondContact O-CB 3.38Å; N421-S425 PolarHBondContact O-N 3.03Å; N421-S425 PolarHBondContact O-OG 2.89Å; Y422-S425 WeakPolarHBondContact CA-OG 3.34Å; Y422-S425 PolarHBondContact O-N 3.42Å; Y422-S425 PolarHBondContact O-OG 3.48Å; S425-A427 PolarHBondContact O-N 2.89Å; S425-C428 PolarHBondContact O-N 2.87Å; S425-V429 WeakPolarHBondContact O-CB 3.46Å; S425-V429 WeakPolarHBondContact O-CG2 3.21Å; S425-V429 PolarHBondContact O-N 3.14Å
426Y98.2Very high98.2Very high76 Ų7628.9 Ų28.930%0.29816%0.156SC..Hα-helixtrans-69.1-19.4175.5-82.4-99.6000113.6W330 E333 Y422 F424 P430W330-Y426 HydrophobicContact CB-CE2 3.84Å; W330-Y426 AromaticContact CD1-CD2 3.93Å; W330-Y426 AromaticContact CD1-CE1 3.62Å; W330-Y426 AromaticContact CD1-CE2 3.53Å; W330-Y426 AromaticContact CD1-CZ 3.34Å; W330-Y426 HydrophobicContact CG-CD2 4.22Å; W330-Y426 AromaticContact CG-CE2 3.79Å; W330-Y426 HydrophobicContact CG-CE2 3.79Å; W330-Y426 AromaticContact CG-CZ 3.99Å; W330-Y426 AromaticContact NE1-CD1 3.99Å; W330-Y426 PolarHBondContact O-OH 3.39Å; E333-Y426 WeakPolarHBondContact CB-OH 3.44Å; E333-Y426 WeakPolarHBondContact OE2-CE1 3.36Å; E333-Y426 VanDerWaalsContact OE2-CZ 3.27Å; E333-Y426 PolarHBondContact OE2-OH 3.43Å; Y422-Y426 HydrophobicContact CD1-CE2 4.18Å; Y422-Y426 HydrophobicContact CG-CE2 4.49Å; Y422-Y426 WeakPolarHBondContact O-CB 3.17Å; Y422-Y426 VanDerWaalsContact O-CD2 3.27Å; Y422-Y426 WeakPolarHBondContact O-CD2 3.33Å; Y422-Y426 PolarHBondContact O-N 3.08Å; F424-Y426 PolarHBondContact O-N 3.38Å; Y426-P430 WeakPolarHBondContact O-CD 3.37Å; Y426-P430 VanDerWaalsContact O-CG 3.28Å; Y426-P430 WeakPolarHBondContact O-CG 3.35Å
427A98.7Very high98.3Very high40 Ų4031.7 Ų31.733%0.33118%0.18SC..Hα-helixtrans-89-4017100000112L299 F424 S425 P430 L431L299-A427 HydrophobicContact CD1-CB 3.78Å; L299-A427 HydrophobicContact CD2-CB 4.2Å; F424-A427 WeakPolarHBondContact O-CB 3.38Å; F424-A427 PolarHBondContact O-N 3.28Å; S425-A427 PolarHBondContact O-N 2.89Å; A427-P430 WeakPolarHBondContact O-CD 3.35Å; A427-L431 WeakPolarHBondContact O-CB 3.44Å; A427-L431 PolarHBondContact O-N 2.93Å
428C98.8Very high98.5Very high0 Ų038.8 Ų38.80%021%0.212CC..Hα-helixtrans-71.9-40.2-175.5-168.20000112.7A231 L299 F424 S425 L431 L432A231-C428 HydrophobicContact CB-CB 3.96Å; L299-C428 HydrophobicContact CD2-CB 3.77Å; F424-C428 HydrophobicContact CD1-CB 3.96Å; F424-C428 HydrophobicContact CE1-CB 3.57Å; F424-C428 HydrophobicContact CZ-CB 4.02Å; F424-C428 WeakPolarHBondContact O-CB 3.37Å; F424-C428 PolarHBondContact O-N 3.4Å; S425-C428 PolarHBondContact O-N 2.87Å; C428-L431 WeakPolarHBondContact O-CB 3.08Å; C428-L431 PolarHBondContact O-N 2.85Å; C428-L431 VanDerWaalsContact O-N 3.17Å; C428-L432 PolarHBondContact O-N 3.14Å
429V98.8Very high98.5Very high30 Ų3040.2 Ų40.218%0.18222%0.22CC..Hα-helixtrans-58.9-50.1178.8168.70000111.8A231 L234 L235 S425 K433A231-V429 HydrophobicContact CB-CG2 3.95Å; L234-V429 HydrophobicContact CB-CG2 4.46Å; L234-V429 HydrophobicContact CD1-CG2 4.39Å; L235-V429 HydrophobicContact CD2-CB 4.45Å; L235-V429 HydrophobicContact CD2-CG1 4.02Å; L235-V429 HydrophobicContact CG-CG2 4.22Å; S425-V429 WeakPolarHBondContact O-CB 3.46Å; S425-V429 WeakPolarHBondContact O-CG2 3.21Å; S425-V429 PolarHBondContact O-N 3.14Å; V429-K433 PolarHBondContact O-N 3.43Å
430P98.6Very high98.5Very high70 Ų7045.5 Ų45.546%0.45525%0.245SC..Hα-helixtrans-62.5-39.2172.5-2434.1000113.9Y426 A427 L432 K433Y426-P430 WeakPolarHBondContact O-CD 3.37Å; Y426-P430 VanDerWaalsContact O-CG 3.28Å; Y426-P430 WeakPolarHBondContact O-CG 3.35Å; A427-P430 WeakPolarHBondContact O-CD 3.35Å; P430-L432 VanDerWaalsContact C-N 3.31Å; P430-L432 PolarHBondContact O-N 3.37Å; P430-K433 WeakPolarHBondContact O-CB 3.25Å; P430-K433 PolarHBondContact O-N 3.2Å
431L98.8Very high98.5Very high67 Ų6751.8 Ų51.835%0.35129%0.285SS..Hα-helixtrans-59.5-41.3-178.8177.463.7000111.9I295 M296 L299 A427 C428 P434I295-L431 HydrophobicContact CG2-CD1 4.08Å; I295-L431 HydrophobicContact CG2-CD2 4.32Å; I295-L431 HydrophobicContact CG2-CG 3.92Å; M296-L431 HydrophobicContact CG-CD2 4.39Å; L299-L431 HydrophobicContact CB-CD2 4.06Å; L299-L431 HydrophobicContact CD2-CD2 3.93Å; A427-L431 WeakPolarHBondContact O-CB 3.44Å; A427-L431 PolarHBondContact O-N 2.93Å; C428-L431 WeakPolarHBondContact O-CB 3.08Å; C428-L431 PolarHBondContact O-N 2.85Å; C428-L431 VanDerWaalsContact O-N 3.17Å; L431-P434 WeakPolarHBondContact O-CD 3.49Å
432L98.7Very high98.4Very high1 Ų152 Ų521%0.00529%0.287CS..Hα-helixtrans-86.3-2.8-177.8-67.8-178000114.3L235 L292 I295 M296 M364 C428 P430 F435 M436L235-L432 HydrophobicContact CD1-CB 3.76Å; L235-L432 HydrophobicContact CD1-CD1 3.64Å; L235-L432 HydrophobicContact CD1-CG 4.29Å; L235-L432 HydrophobicContact CD2-CB 4.49Å; L292-L432 HydrophobicContact CD2-CD1 3.97Å; L292-L432 HydrophobicContact CD2-CD2 3.65Å; L292-L432 HydrophobicContact CD2-CG 4.48Å; I295-L432 HydrophobicContact CG2-CD2 3.92Å; M296-L432 HydrophobicContact CG-CD2 4.04Å; M296-L432 HydrophobicContact SD-CD1 3.9Å; M296-L432 HydrophobicContact SD-CD2 4.28Å; M296-L432 HydrophobicContact SD-CG 4.42Å; M364-L432 HydrophobicContact CE-CD1 4.42Å; C428-L432 PolarHBondContact O-N 3.14Å; P430-L432 VanDerWaalsContact C-N 3.31Å; P430-L432 PolarHBondContact O-N 3.37Å; L432-F435 HydrophobicContact CD2-CB 4.35Å; L432-F435 WeakPolarHBondContact O-CB 3.45Å; L432-F435 PolarHBondContact O-N 3.28Å; L432-F435 VanDerWaalsContact O-N 3.07Å; L432-M436 WeakPolarHBondContact O-CG 3.36Å; L432-M436 PolarHBondContact O-N 2.78Å
433K98.5Very high98.4Very high139 Ų13952 Ų5260%0.60429%0.287SS*.Hα-helixtrans-52.1-48178.4-81.9-175176.5-175.40113.9V429 P430 F435 M436 A437V429-K433 PolarHBondContact O-N 3.43Å; P430-K433 WeakPolarHBondContact O-CB 3.25Å; P430-K433 PolarHBondContact O-N 3.2Å; K433-F435 VanDerWaalsContact C-N 3.32Å; K433-F435 PolarHBondContact O-N 2.84Å; K433-M436 PolarHBondContact O-N 3.36Å; K433-A437 PolarHBondContact O-N 3.01Å
434P98.6Very high98.4Very high90 Ų9050.7 Ų50.758%0.58428%0.281SS*.Hα-helixtrans-63.5-38177.7-2234.8000112.6L431 A437L431-P434 WeakPolarHBondContact O-CD 3.49Å; P434-A437 PolarHBondContact O-N 3.33Å
435F98.7Very high98.4Very high23 Ų2351.3 Ų51.310%0.10129%0.287CS..Hα-helixtrans-64.8-43.7177172.9-89.2000111.8L288 Q291 L292 I295 L360 L432 K433 A437 E438 L439L288-F435 HydrophobicContact CD2-CE2 4.2Å; L288-F435 HydrophobicContact CD2-CZ 3.71Å; Q291-F435 HydrophobicContact CB-CE2 3.95Å; L292-F435 HydrophobicContact CD1-CE1 4.5Å; L292-F435 HydrophobicContact CD1-CZ 4.28Å; L292-F435 HydrophobicContact CD2-CD1 3.96Å; L292-F435 HydrophobicContact CD2-CE1 3.66Å; L292-F435 HydrophobicContact CD2-CE2 4.29Å; L292-F435 HydrophobicContact CD2-CG 4.4Å; L292-F435 HydrophobicContact CD2-CZ 3.82Å; L292-F435 HydrophobicContact CG-CE1 4.08Å; L292-F435 HydrophobicContact CG-CE2 4.2Å; L292-F435 HydrophobicContact CG-CZ 3.74Å; I295-F435 HydrophobicContact CD1-CB 3.97Å; I295-F435 HydrophobicContact CD1-CD2 3.72Å; I295-F435 HydrophobicContact CD1-CG 4.15Å; L360-F435 HydrophobicContact CD1-CE1 3.7Å; L360-F435 HydrophobicContact CD1-CZ 4.05Å; L432-F435 HydrophobicContact CD2-CB 4.35Å; L432-F435 WeakPolarHBondContact O-CB 3.45Å; L432-F435 PolarHBondContact O-N 3.28Å; L432-F435 VanDerWaalsContact O-N 3.07Å; K433-F435 VanDerWaalsContact C-N 3.32Å; K433-F435 PolarHBondContact O-N 2.84Å; F435-A437 PolarHBondContact O-N 2.82Å; F435-E438 PolarHBondContact O-N 3.28Å; F435-L439 HydrophobicContact CD1-CD2 4.44Å; F435-L439 HydrophobicContact CE1-CD2 3.88Å; F435-L439 HydrophobicContact CZ-CD2 4.24Å
436M98.6Very high98.4Very high11 Ų1158.2 Ų58.25%0.05432%0.317CS..Hα-helixtrans-64.3-29.1178.1-64.6-54.9-68.800112.9L235 K239 L360 M364 L432 K433 E438 L439L235-M436 HydrophobicContact CB-CE 4Å; L235-M436 HydrophobicContact CB-CG 4.3Å; L235-M436 HydrophobicContact CB-SD 4.16Å; L235-M436 HydrophobicContact CD2-CG 3.86Å; L235-M436 HydrophobicContact CG-CG 4.49Å; L235-M436 WeakPolarHBondContact O-CE 3.18Å; K239-M436 HydrophobicContact CB-CE 3.62Å; K239-M436 VanDerWaalsContact CE-O 3.23Å; K239-M436 WeakPolarHBondContact CE-O 3.37Å; K239-M436 HydrophobicContact CG-CE 3.94Å; L360-M436 HydrophobicContact CD2-CE 3.77Å; L360-M436 HydrophobicContact CD2-SD 3.85Å; M364-M436 HydrophobicContact CE-SD 4.07Å; L432-M436 WeakPolarHBondContact O-CG 3.36Å; L432-M436 PolarHBondContact O-N 2.78Å; K433-M436 PolarHBondContact O-N 3.36Å; M436-E438 VanDerWaalsContact C-N 3.3Å; M436-E438 PolarHBondContact O-N 3.41Å; M436-L439 HydrophobicContact CE-CD1 3.8Å; M436-L439 WeakPolarHBondContact O-CG 3.17Å; M436-L439 HydrophobicContact SD-CD1 4.25Å
437A98.2Very high98.4Very high60 Ų6057.1 Ų57.150%0.49632%0.324SS..Hα-helixtrans-69-27.8178.200000112.9K433 P434 F435K433-A437 PolarHBondContact O-N 3.01Å; P434-A437 PolarHBondContact O-N 3.33Å; F435-A437 PolarHBondContact O-N 2.82Å
438E97.9Very high98.3Very high150 Ų15056.8 Ų56.870%0.70132%0.316SS*.THydrogen-bonded Turntrans-100.814.5-174.5-59.7-60.3137.200113.4F435 M436F435-E438 PolarHBondContact O-N 3.28Å; M436-E438 VanDerWaalsContact C-N 3.3Å; M436-E438 PolarHBondContact O-N 3.41Å
439L98.3Very high98.2Very high31 Ų3161.8 Ų61.816%0.16235%0.348CS..PPolyproline II helixtrans-62.8144.9175.6-67.3-175.5000111.7K239 L288 L360 F435 M436 D443K239-L439 HydrophobicContact CG-CD1 3.95Å; L288-L439 HydrophobicContact CD2-CD2 4.29Å; L360-L439 HydrophobicContact CD2-CD1 3.59Å; L360-L439 HydrophobicContact CD2-CD2 4.14Å; F435-L439 HydrophobicContact CD1-CD2 4.44Å; F435-L439 HydrophobicContact CE1-CD2 3.88Å; F435-L439 HydrophobicContact CZ-CD2 4.24Å; M436-L439 HydrophobicContact CE-CD1 3.8Å; M436-L439 WeakPolarHBondContact O-CG 3.17Å; M436-L439 HydrophobicContact SD-CD1 4.25Å; L439-D443 HydrophobicContact CB-CB 4.32Å; L439-D443 HydrophobicContact CD2-CB 4.17Å
440Q97.9Very high97.9Very high115 Ų11566.1 Ų66.154%0.53737%0.366SS..PPolyproline II helixtrans-100.8156.3-179.4-62.7178.77.900111G442 D443Q440-G442 PolarHBondContact O-N 3.22Å; Q440-D443 PolarHBondContact N-OD2 3.18Å; Q440-D443 VanDerWaalsContact O-CB 3.3Å; Q440-D443 WeakPolarHBondContact O-CB 3.48Å; Q440-D443 VanDerWaalsContact O-CG 3.26Å; Q440-D443 PolarHBondContact O-N 3.48Å
441P97.3Very high97.6Very high131 Ų13164.4 Ų64.485%0.85136%0.362SS*.THydrogen-bonded Turntrans-55.2125.5172.6-25.334.8000111.6
442G97.5Very high97.4Very high4 Ų466.5 Ų66.54%0.04139%0.389CS..THydrogen-bonded Turntrans102.5-15.7-176.300000114.2Q440 L444 K446 I448Q440-G442 PolarHBondContact O-N 3.22Å; G442-L444 VanDerWaalsContact C-N 3.3Å; G442-L444 PolarHBondContact O-N 3.36Å; G442-K446 WeakPolarHBondContact CA-O 3.32Å; G442-I448 WeakPolarHBondContact O-CG1 3.34Å
443D98.7Very high97.3Very high2 Ų268.2 Ų68.21%0.01140%0.399CS..SBendtrans-68-33176.8-68.2-9.3000111.9R284 L288 V359 L360 L439 Q440R284-D443 WeakPolarHBondContact CG-OD1 3.23Å; R284-D443 IonicContact CZ-OD1 2.71Å; R284-D443 IonicContact CZ-OD2 2.71Å; R284-D443 IonicContact NE-OD1 3.36Å; R284-D443 PolarHBondContact NE-OD1 3.49Å; R284-D443 IonicContact NE-OD2 3.05Å; R284-D443 IonicContact NH2-OD1 2.59Å; R284-D443 PolarHBondContact NH2-OD1 3.25Å; R284-D443 IonicContact NH2-OD2 3.57Å; R284-D443 PolarHBondContact NH2-OD2 3.36Å; L288-D443 HydrophobicContact CD1-CB 4.17Å; V359-D443 WeakPolarHBondContact CB-O 3.46Å; L360-D443 WeakPolarHBondContact CB-O 3.29Å; L360-D443 PolarHBondContact N-O 3.33Å; L439-D443 HydrophobicContact CB-CB 4.32Å; L439-D443 HydrophobicContact CD2-CB 4.17Å; Q440-D443 PolarHBondContact N-OD2 3.18Å; Q440-D443 VanDerWaalsContact O-CB 3.3Å; Q440-D443 WeakPolarHBondContact O-CB 3.48Å; Q440-D443 VanDerWaalsContact O-CG 3.26Å; Q440-D443 PolarHBondContact O-N 3.48Å
444L98.8Very high97.3Very high23 Ų2366.1 Ų66.112%0.1240%0.395CS..SBendtrans-152.6140.4179.8-172.565.1000110.7C236 K239 L240 L360 M361 G442 K446C236-L444 HydrophobicContact CB-CD1 4.27Å; C236-L444 HydrophobicContact CB-CD2 3.8Å; C236-L444 WeakPolarHBondContact O-CD2 3.48Å; K239-L444 HydrophobicContact CB-CD2 4.27Å; K239-L444 HydrophobicContact CG-CD2 4.41Å; L240-L444 HydrophobicContact CD1-CD2 4.4Å; L240-L444 HydrophobicContact CD1-CG 4.37Å; L240-L444 HydrophobicContact CD2-CD2 4.3Å; L240-L444 HydrophobicContact CD2-CG 3.86Å; L240-L444 HydrophobicContact CG-CD2 3.83Å; L240-L444 HydrophobicContact CG-CG 3.91Å; L360-L444 HydrophobicContact CB-CB 4.39Å; L360-L444 HydrophobicContact CB-CD1 4.41Å; L360-L444 HydrophobicContact CD2-CD2 4.38Å; M361-L444 HydrophobicContact CG-CD1 4.24Å; G442-L444 VanDerWaalsContact C-N 3.3Å; G442-L444 PolarHBondContact O-N 3.36Å; L444-K446 PolarHBondContact O-N 2.88Å; L444-K446 VanDerWaalsContact O-N 3.13Å
445G98.3Very high97.2Very high13 Ų1368.3 Ų68.313%0.13440%0.401CS..SBendtrans78.5-14.9173.500000116.2K357K357-G445 PolarHBondContact O-N 3.27Å
446K98.1Very high97.1Very high147 Ų14769 Ų6964%0.63941%0.412SS*.SBendtrans-135.3143.4178.7-65.3-175.4-176.3-179.20110.6G442 L444G442-K446 WeakPolarHBondContact CA-O 3.32Å; L444-K446 PolarHBondContact O-N 2.88Å; L444-K446 VanDerWaalsContact O-N 3.13Å
447A97.9Very high97.1Very high53 Ų5373.3 Ų73.344%0.43843%0.432SS..PPolyproline II helixtrans-69.4137.9176.700000111.7D356D356-A447 HydrophobicContact CB-CB 3.82Å; D356-A447 WeakPolarHBondContact O-CA 3.45Å
448I98.3Very high97.1Very high32 Ų3271.6 Ų71.616%0.16441%0.414CS..PPolyproline II helixtrans-78.6123.8164.8-63.8171.1000107.8P280 A281 R284 V359 G442 E450P280-I448 HydrophobicContact CB-CG2 3.83Å; A281-I448 HydrophobicContact CB-CB 4.03Å; A281-I448 HydrophobicContact CB-CD1 4.25Å; R284-I448 HydrophobicContact CB-CD1 3.69Å; R284-I448 HydrophobicContact CG-CD1 3.78Å; V359-I448 HydrophobicContact CG1-CD1 4.15Å; V359-I448 HydrophobicContact CG2-CD1 4.13Å; G442-I448 WeakPolarHBondContact O-CG1 3.34Å; I448-E450 PolarHBondContact O-N 3.45Å
449P96.3Very high97.1Very high105 Ų10571.6 Ų71.668%0.68241%0.408SS*.PPolyproline II helixtrans-56.5136-178.8-24.833.7000112.3
450E92.4Very high97.1Very high121 Ų12174.1 Ų74.157%0.56542%0.421SS*.PPolyproline II helixtrans-62.3146169.7-177.361.8-84.500110.4S278 N279 P280 I448S278-E450 WeakPolarHBondContact CA-OE2 3.32Å; S278-E450 VanDerWaalsContact CB-CD 3.5Å; S278-E450 WeakPolarHBondContact CB-OE2 3.28Å; N279-E450 PolarHBondContact N-OE1 3.41Å; P280-E450 WeakPolarHBondContact CD-OE1 3.45Å; I448-E450 PolarHBondContact O-N 3.45Å
451G91.7Very high97.2Very high35 Ų3569.2 Ų69.236%0.36140%0.399SS..  trans-179.1174.1-175.600000114.1
452A95.2Very high97.2Very high111 Ų11164.3 Ų64.392%0.91737%0.366SS*.  trans-66138.8174.700000110.6
453V97Very high97.3Very high36 Ų3669 Ų6922%0.21839%0.386CS..  trans-125.3165172.7-62.40000109.2N279 P280 L283 N455 L458N279-V453 HydrophobicContact CB-CG1 3.99Å; N279-V453 HydrophobicContact CB-CG2 3.84Å; P280-V453 HydrophobicContact CB-CG1 4.32Å; P280-V453 HydrophobicContact CG-CG1 3.77Å; L283-V453 HydrophobicContact CD1-CB 3.8Å; L283-V453 HydrophobicContact CD1-CG1 3.72Å; L283-V453 HydrophobicContact CD1-CG2 4.4Å; V453-N455 PolarHBondContact O-N 3.38Å; V453-L458 HydrophobicContact CG2-CB 3.83Å; V453-L458 HydrophobicContact CG2-CD1 4.48Å; V453-L458 HydrophobicContact CG2-CD2 3.78Å; V453-L458 HydrophobicContact CG2-CG 4.22Å
454D97.8Very high97.3Very high95 Ų9570.7 Ų70.751%0.50840%0.401SS..  trans-65.1129.4171.3178.8-99.4000110.8A456 Q457 L458D454-A456 VanDerWaalsContact C-N 3.31Å; D454-A456 PolarHBondContact O-N 3.36Å; D454-A456 WeakPolarHBondContact OD1-CA 3.05Å; D454-A456 VanDerWaalsContact OD1-CB 3.31Å; D454-A456 WeakPolarHBondContact OD1-CB 3.14Å; D454-A456 PolarHBondContact OD1-N 3.02Å; D454-Q457 HydrophobicContact CB-CB 4.04Å; D454-Q457 PolarHBondContact O-N 3.07Å; D454-Q457 PolarHBondContact OD1-N 2.67Å; D454-L458 WeakPolarHBondContact O-CB 3.49Å; D454-L458 PolarHBondContact O-N 3.46Å
455N96Very high97.3Very high136 Ų13669.8 Ų69.873%0.72740%0.396SS*.Hα-helixtrans-65-34.9-176.2-76.3-33.2000112.4V453 R459V453-N455 PolarHBondContact O-N 3.38Å; N455-R459 WeakPolarHBondContact O-CB 3.34Å; N455-R459 PolarHBondContact O-N 3.36Å
456A97.3Very high97.2Very high39 Ų3974.5 Ų74.532%0.32241%0.41SS..Hα-helixtrans-72-46.6179.700000110D454 L458 R459 D460D454-A456 VanDerWaalsContact C-N 3.31Å; D454-A456 PolarHBondContact O-N 3.36Å; D454-A456 WeakPolarHBondContact OD1-CA 3.05Å; D454-A456 VanDerWaalsContact OD1-CB 3.31Å; D454-A456 WeakPolarHBondContact OD1-CB 3.14Å; D454-A456 PolarHBondContact OD1-N 3.02Å; A456-L458 VanDerWaalsContact C-N 3.34Å; A456-L458 PolarHBondContact O-N 2.77Å; A456-R459 WeakPolarHBondContact O-CB 3.24Å; A456-R459 PolarHBondContact O-N 3.43Å; A456-D460 WeakPolarHBondContact O-CB 3.37Å; A456-D460 PolarHBondContact O-N 3Å
457Q97.7Very high97.3Very high100 Ų10070.2 Ų70.247%0.46740%0.398SS..Hα-helixtrans-58.7-44.3176.2-169.4-176.2-5.900111.9L283 D454 D460 V461L283-Q457 HydrophobicContact CD1-CG 4.31Å; L283-Q457 HydrophobicContact CD2-CG 3.97Å; D454-Q457 HydrophobicContact CB-CB 4.04Å; D454-Q457 PolarHBondContact O-N 3.07Å; D454-Q457 PolarHBondContact OD1-N 2.67Å; Q457-D460 PolarHBondContact O-N 3.03Å; Q457-V461 WeakPolarHBondContact O-CB 3.42Å; Q457-V461 WeakPolarHBondContact O-CG2 3.5Å; Q457-V461 PolarHBondContact O-N 3.01Å
458L98.4Very high97.3Very high24 Ų2469 Ų6913%0.12638%0.383CS..Hα-helixtrans-63.7-43.1177.2-179.360.5000112N279 K282 V453 D454 A456 N462N279-L458 HydrophobicContact CB-CD1 4.23Å; N279-L458 HydrophobicContact CB-CD2 4.33Å; N279-L458 WeakPolarHBondContact OD1-CD1 3.41Å; K282-L458 HydrophobicContact CD-CD1 4.47Å; V453-L458 HydrophobicContact CG2-CB 3.83Å; V453-L458 HydrophobicContact CG2-CD1 4.48Å; V453-L458 HydrophobicContact CG2-CD2 3.78Å; V453-L458 HydrophobicContact CG2-CG 4.22Å; D454-L458 WeakPolarHBondContact O-CB 3.49Å; D454-L458 PolarHBondContact O-N 3.46Å; A456-L458 VanDerWaalsContact C-N 3.34Å; A456-L458 PolarHBondContact O-N 2.77Å; L458-N462 WeakPolarHBondContact O-CB 3.23Å; L458-N462 VanDerWaalsContact O-CG 3.23Å; L458-N462 PolarHBondContact O-N 3.48Å; L458-N462 PolarHBondContact O-ND2 2.85Å
459R98.2Very high97.3Very high151 Ų15169.1 Ų69.157%0.5739%0.389SS*.Hα-helixtrans-59.4-49.6175178.1-161.365-152.4-6.6110.6N455 A456 V461 N462 E463N455-R459 WeakPolarHBondContact O-CB 3.34Å; N455-R459 PolarHBondContact O-N 3.36Å; A456-R459 WeakPolarHBondContact O-CB 3.24Å; A456-R459 PolarHBondContact O-N 3.43Å; R459-V461 PolarHBondContact O-N 2.96Å; R459-N462 PolarHBondContact O-N 3.24Å; R459-E463 PolarHBondContact O-N 2.95Å
460D98.6Very high97.4Very high83 Ų8364.1 Ų64.144%0.44436%0.357SS..Hα-helixtrans-66.1-40.2-173.5-63.4-12.3000111.1A456 Q457 E463 A464A456-D460 WeakPolarHBondContact O-CB 3.37Å; A456-D460 PolarHBondContact O-N 3Å; Q457-D460 PolarHBondContact O-N 3.03Å; D460-E463 PolarHBondContact O-N 3.47Å; D460-A464 VanDerWaalsContact O-CB 3.31Å; D460-A464 WeakPolarHBondContact O-CB 3.24Å; D460-A464 PolarHBondContact O-N 2.83Å
461V98.7Very high97.7Very high12 Ų1258.7 Ų58.77%0.07333%0.331CS..Hα-helixtrans-65.7-44.1173.3167.20000112L283 Y286 Q457 R459 E463 A464 I465L283-V461 HydrophobicContact CD2-CB 3.86Å; L283-V461 HydrophobicContact CD2-CG1 4.15Å; L283-V461 HydrophobicContact CD2-CG2 3.6Å; Y286-V461 HydrophobicContact CD1-CG1 4.32Å; Y286-V461 HydrophobicContact CD1-CG2 3.81Å; Y286-V461 HydrophobicContact CD2-CG1 3.75Å; Y286-V461 HydrophobicContact CE1-CG2 4.14Å; Y286-V461 HydrophobicContact CE2-CG1 4.44Å; Y286-V461 HydrophobicContact CG-CB 4.45Å; Y286-V461 HydrophobicContact CG-CG1 3.67Å; Y286-V461 HydrophobicContact CG-CG2 4.04Å; Q457-V461 WeakPolarHBondContact O-CB 3.42Å; Q457-V461 WeakPolarHBondContact O-CG2 3.5Å; Q457-V461 PolarHBondContact O-N 3.01Å; R459-V461 PolarHBondContact O-N 2.96Å; V461-E463 VanDerWaalsContact C-N 3.28Å; V461-E463 PolarHBondContact O-N 3.49Å; V461-A464 PolarHBondContact O-N 3.1Å; V461-I465 HydrophobicContact CG1-CD1 3.72Å; V461-I465 HydrophobicContact CG1-CG1 4.42Å; V461-I465 WeakPolarHBondContact O-CD1 3.3Å; V461-I465 VanDerWaalsContact O-CG1 3.25Å; V461-I465 WeakPolarHBondContact O-CG1 3.34Å; V461-I465 PolarHBondContact O-N 3.2Å
462N98.7Very high98Very high29 Ų2962.8 Ų62.816%0.15534%0.341CS..Hα-helixtrans-62.6-36.7177.9-76.9-40.2000112.2K282 L458 R459 R466K282-N462 WeakPolarHBondContact CD-OD1 3.3Å; K282-N462 PolarHBondContact NZ-OD1 3.01Å; L458-N462 WeakPolarHBondContact O-CB 3.23Å; L458-N462 VanDerWaalsContact O-CG 3.23Å; L458-N462 PolarHBondContact O-N 3.48Å; L458-N462 PolarHBondContact O-ND2 2.85Å; R459-N462 PolarHBondContact O-N 3.24Å; N462-R466 VanDerWaalsContact O-CG 3.29Å; N462-R466 WeakPolarHBondContact O-CG 3.38Å; N462-R466 PolarHBondContact O-N 3.45Å; N462-R466 PolarHBondContact O-NE 3.49Å
463E98.5Very high98.1Very high101 Ų10157.6 Ų57.647%0.47230%0.298SS..Hα-helixtrans-70.8-46.6176.2-161.166-165.800110.7R459 D460 V461 I465 R466 C467R459-E463 PolarHBondContact O-N 2.95Å; D460-E463 PolarHBondContact O-N 3.47Å; V461-E463 VanDerWaalsContact C-N 3.28Å; V461-E463 PolarHBondContact O-N 3.49Å; E463-I465 VanDerWaalsContact C-N 3.3Å; E463-I465 PolarHBondContact O-N 2.96Å; E463-R466 WeakPolarHBondContact O-CG 3.46Å; E463-R466 PolarHBondContact O-N 3.47Å; E463-C467 WeakPolarHBondContact O-CB 3.43Å; E463-C467 PolarHBondContact O-N 3.2Å; E463-C467 PolarHBondContact O-SG 3.21Å; E463-C467 VanDerWaalsContact O-SG 3.34Å; E463-C467 PolarHBondContact OE1-SG 3.48Å
464A98.6Very high98.1Very high39 Ų3955.9 Ų55.932%0.32229%0.287SS..Hα-helixtrans-56.1-43.4177.600000112.3Y286 D460 V461 H468Y286-A464 HydrophobicContact CE2-CB 3.89Å; Y286-A464 WeakPolarHBondContact OH-CB 3.46Å; D460-A464 VanDerWaalsContact O-CB 3.31Å; D460-A464 WeakPolarHBondContact O-CB 3.24Å; D460-A464 PolarHBondContact O-N 2.83Å; V461-A464 PolarHBondContact O-N 3.1Å; A464-H468 PolarHBondContact O-N 3.1Å
465I98.7Very high98.1Very high3 Ų359.1 Ų59.12%0.01530%0.297CS..Hα-helixtrans-61.9-56.4176.9-66.5162.2000110.8I270 M274 K282 Y286 V461 E463 C467 H468 E471I270-I465 HydrophobicContact CG2-CG2 4.02Å; M274-I465 HydrophobicContact CB-CD1 4.02Å; M274-I465 HydrophobicContact CE-CD1 3.87Å; M274-I465 HydrophobicContact CG-CD1 4.06Å; M274-I465 HydrophobicContact CG-CG2 4.42Å; K282-I465 HydrophobicContact CD-CD1 4.46Å; K282-I465 HydrophobicContact CG-CD1 4.42Å; Y286-I465 HydrophobicContact CD2-CD1 4.22Å; Y286-I465 HydrophobicContact CD2-CG1 3.86Å; Y286-I465 HydrophobicContact CE2-CG1 4.21Å; V461-I465 HydrophobicContact CG1-CD1 3.72Å; V461-I465 HydrophobicContact CG1-CG1 4.42Å; V461-I465 WeakPolarHBondContact O-CD1 3.3Å; V461-I465 VanDerWaalsContact O-CG1 3.25Å; V461-I465 WeakPolarHBondContact O-CG1 3.34Å; V461-I465 PolarHBondContact O-N 3.2Å; E463-I465 VanDerWaalsContact C-N 3.3Å; E463-I465 PolarHBondContact O-N 2.96Å; I465-C467 VanDerWaalsContact C-N 3.3Å; I465-C467 PolarHBondContact O-N 3.13Å; I465-H468 WeakPolarHBondContact O-CB 3.3Å; I465-H468 PolarHBondContact O-N 3.48Å; I465-E471 WeakPolarHBondContact O-CG 3.13Å
466R98Very high97.9Very high112 Ų11256.5 Ų56.542%0.42328%0.279SS..Hα-helixtrans-73.4-21.2-172.172-171.556.4-155-12113.9T271 N462 E463T271-R466 HydrophobicContact CG2-CB 4.39Å; N462-R466 VanDerWaalsContact O-CG 3.29Å; N462-R466 WeakPolarHBondContact O-CG 3.38Å; N462-R466 PolarHBondContact O-N 3.45Å; N462-R466 PolarHBondContact O-NE 3.49Å; E463-R466 WeakPolarHBondContact O-CG 3.46Å; E463-R466 PolarHBondContact O-N 3.47Å
467C98.5Very high97.7Very high57 Ų5754.6 Ų54.639%0.38526%0.264SS..Hα-helixtrans-87.7-10.4179.1-71.90000113.2E463 I465 A469 Q472E463-C467 WeakPolarHBondContact O-CB 3.43Å; E463-C467 PolarHBondContact O-N 3.2Å; E463-C467 PolarHBondContact O-SG 3.21Å; E463-C467 VanDerWaalsContact O-SG 3.34Å; E463-C467 PolarHBondContact OE1-SG 3.48Å; I465-C467 VanDerWaalsContact C-N 3.3Å; I465-C467 PolarHBondContact O-N 3.13Å; C467-A469 PolarHBondContact O-N 3.06Å; C467-Q472 PolarHBondContact O-NE2 3.42Å
468H98.8Very high97.4Very high29 Ų2951.1 Ų51.113%0.13425%0.246CC..SBendtrans-54.6137.3173-164.9-78.2000110.4E370 E374 A464 I465 I470 E471 Q472E370-H468 VanDerWaalsContact CD-CD2 3.42Å; E370-H468 WeakPolarHBondContact CG-NE2 3.36Å; E370-H468 IonicContact OE1-CD2 2.65Å; E370-H468 IonicContact OE1-CG 2.8Å; E370-H468 IonicContact OE2-CD2 2.73Å; E370-H468 IonicContact OE2-NE2 2.77Å; E374-H468 IonicContact OE1-CD2 3.42Å; E374-H468 IonicContact OE1-CE1 3.65Å; E374-H468 IonicContact OE1-NE2 2.62Å; E374-H468 PolarHBondContact OE1-NE2 3.38Å; A464-H468 PolarHBondContact O-N 3.1Å; I465-H468 WeakPolarHBondContact O-CB 3.3Å; I465-H468 PolarHBondContact O-N 3.48Å; H468-I470 VanDerWaalsContact C-N 3.27Å; H468-I470 WeakPolarHBondContact ND1-CG2 3.47Å; H468-I470 PolarHBondContact ND1-N 3.28Å; H468-I470 PolarHBondContact O-N 2.92Å; H468-E471 WeakPolarHBondContact O-CB 3.37Å; H468-E471 PolarHBondContact O-N 3.39Å; H468-Q472 PolarHBondContact O-N 2.79Å
469A98.7Very high97Very high34 Ų3451.4 Ų51.428%0.28125%0.254SS..Hα-helixtrans-56.1-40.9-172.600000112.5F373 C467 E471 Q472 V473F373-A469 HydrophobicContact CE1-CB 3.69Å; F373-A469 HydrophobicContact CZ-CB 4.14Å; C467-A469 PolarHBondContact O-N 3.06Å; A469-E471 VanDerWaalsContact C-N 3.25Å; A469-E471 PolarHBondContact O-N 2.75Å; A469-Q472 PolarHBondContact O-N 2.71Å; A469-Q472 VanDerWaalsContact O-N 3.13Å; A469-V473 WeakPolarHBondContact O-CG1 3.39Å; A469-V473 PolarHBondContact O-N 2.71Å
470I98.7Very high96.3Very high0 Ų049.1 Ų49.10%025%0.246CC..Hα-helixtrans-56.8-35174.7-157.7175.7000113.6I270 V369 E370 F373 Y387 L391 H468 G474I270-I470 HydrophobicContact CD1-CG2 3.65Å; V369-I470 HydrophobicContact CG1-CD1 4.35Å; V369-I470 HydrophobicContact CG2-CD1 3.66Å; E370-I470 HydrophobicContact CG-CG2 4.45Å; F373-I470 HydrophobicContact CB-CB 4.39Å; F373-I470 HydrophobicContact CB-CD1 3.76Å; F373-I470 HydrophobicContact CB-CG1 4.27Å; F373-I470 HydrophobicContact CD1-CB 4.05Å; F373-I470 HydrophobicContact CD2-CB 3.83Å; F373-I470 HydrophobicContact CD2-CD1 3.83Å; F373-I470 HydrophobicContact CD2-CG1 3.51Å; F373-I470 HydrophobicContact CE1-CB 4.29Å; F373-I470 HydrophobicContact CE2-CB 4.05Å; F373-I470 HydrophobicContact CE2-CG1 3.93Å; F373-I470 HydrophobicContact CG-CB 3.82Å; F373-I470 HydrophobicContact CG-CD1 3.94Å; F373-I470 HydrophobicContact CG-CG1 3.88Å; F373-I470 HydrophobicContact CZ-CB 4.27Å; Y387-I470 HydrophobicContact CD2-CG1 4.07Å; L391-I470 HydrophobicContact CB-CD1 3.87Å; L391-I470 HydrophobicContact CB-CG1 4.45Å; L391-I470 HydrophobicContact CD1-CD1 4.02Å; L391-I470 HydrophobicContact CD1-CG1 4.2Å; H468-I470 VanDerWaalsContact C-N 3.27Å; H468-I470 WeakPolarHBondContact ND1-CG2 3.47Å; H468-I470 PolarHBondContact ND1-N 3.28Å; H468-I470 PolarHBondContact O-N 2.92Å; I470-G474 WeakPolarHBondContact O-CA 3.3Å; I470-G474 PolarHBondContact O-N 2.72Å
471E98.7Very high95.3Very high6 Ų646.4 Ų46.43%0.02823%0.232CC..Hα-helixtrans-75.9-37.1179-75.3-66.698.200111.2G269 I270 T271 I465 H468 A469 K475G269-E471 VanDerWaalsContact CA-OE1 3.27Å; G269-E471 WeakPolarHBondContact CA-OE1 3.38Å; I270-E471 HydrophobicContact CB-CG 4.08Å; I270-E471 HydrophobicContact CD1-CG 4.37Å; I270-E471 HydrophobicContact CG1-CG 4.46Å; I270-E471 PolarHBondContact N-OE1 3.09Å; I270-E471 PolarHBondContact N-OE2 3.37Å; T271-E471 WeakPolarHBondContact CB-OE2 3.33Å; T271-E471 PolarHBondContact N-OE2 2.7Å; T271-E471 PolarHBondContact OG1-OE2 3.38Å; I465-E471 WeakPolarHBondContact O-CG 3.13Å; H468-E471 WeakPolarHBondContact O-CB 3.37Å; H468-E471 PolarHBondContact O-N 3.39Å; A469-E471 VanDerWaalsContact C-N 3.25Å; A469-E471 PolarHBondContact O-N 2.75Å; E471-K475 VanDerWaalsContact O-CB 3.23Å; E471-K475 WeakPolarHBondContact O-CB 3.17Å; E471-K475 PolarHBondContact O-N 3.02Å
472Q98.1Very high94.5Very high122 Ų12249.5 Ų49.557%0.5725%0.25SS*.Hα-helixtrans-65.6-52.5176.1-60.8-165.443.700111.5C467 H468 A469 G474 K475 K476C467-Q472 PolarHBondContact O-NE2 3.42Å; H468-Q472 PolarHBondContact O-N 2.79Å; A469-Q472 PolarHBondContact O-N 2.71Å; A469-Q472 VanDerWaalsContact O-N 3.13Å; Q472-G474 VanDerWaalsContact C-N 3.32Å; Q472-G474 PolarHBondContact O-N 2.92Å; Q472-K475 PolarHBondContact O-N 2.73Å; Q472-K476 PolarHBondContact O-N 2.82Å; Q472-K476 VanDerWaalsContact O-N 3.12Å
473V97Very high93.6Very high2 Ų251.7 Ų51.71%0.01226%0.262CS..Hα-helixtrans-65.5-38.2177.372.50000110.8F373 E383 E384 Y387 A469 K476 L477F373-V473 HydrophobicContact CE2-CG1 3.9Å; F373-V473 HydrophobicContact CZ-CG1 4.13Å; E383-V473 HydrophobicContact CB-CB 4.31Å; E383-V473 HydrophobicContact CB-CG1 4.33Å; E383-V473 HydrophobicContact CB-CG2 4.12Å; E384-V473 HydrophobicContact CG-CG2 3.95Å; Y387-V473 HydrophobicContact CD2-CG1 4.21Å; Y387-V473 HydrophobicContact CG-CG1 4.31Å; A469-V473 WeakPolarHBondContact O-CG1 3.39Å; A469-V473 PolarHBondContact O-N 2.71Å; V473-K476 WeakPolarHBondContact O-CB 3.34Å; V473-K476 PolarHBondContact O-N 2.64Å; V473-L477 HydrophobicContact CG2-CD1 3.89Å; V473-L477 HydrophobicContact CG2-CG 4.19Å; V473-L477 WeakPolarHBondContact O-CB 3.36Å; V473-L477 WeakPolarHBondContact O-CG 3.35Å; V473-L477 PolarHBondContact O-N 3.08Å
474G97Very high92.4Very high0 Ų048.3 Ų48.30%025%0.247CC..Hα-helixtrans-64.5-42.517800000113.2I470 Q472 K476 L477 R478I470-G474 WeakPolarHBondContact O-CA 3.3Å; I470-G474 PolarHBondContact O-N 2.72Å; Q472-G474 VanDerWaalsContact C-N 3.32Å; Q472-G474 PolarHBondContact O-N 2.92Å; G474-K476 VanDerWaalsContact C-N 3.33Å; G474-K476 PolarHBondContact O-N 3.4Å; G474-L477 PolarHBondContact O-N 3.4Å; G474-R478 VanDerWaalsContact O-CB 3.3Å; G474-R478 WeakPolarHBondContact O-CB 3.49Å; G474-R478 VanDerWaalsContact O-CG 3.3Å; G474-R478 WeakPolarHBondContact O-CG 3.46Å; G474-R478 PolarHBondContact O-N 3.41Å
475K96.4Very high91.4Very high162 Ų16251.6 Ų51.670%0.70425%0.254SS*.Hα-helixtrans-61.6-42.1173.6-176.1177.6-179.8179.20111.6E471 Q472 G479E471-K475 VanDerWaalsContact O-CB 3.23Å; E471-K475 WeakPolarHBondContact O-CB 3.17Å; E471-K475 PolarHBondContact O-N 3.02Å; Q472-K475 PolarHBondContact O-N 2.73Å; K475-G479 PolarHBondContact O-N 3.4Å
476K93.6Very high90.2Very high81 Ų8159.1 Ų59.135%0.35228%0.282SS..Hα-helixtrans-60.9-52.9176.1-177.4-178.171.3-175.60111.2E384 Q472 V473 G474 G479 Y480E384-K476 WeakPolarHBondContact OE1-CE 3.43Å; E384-K476 IonicContact OE1-NZ 3.56Å; E384-K476 PolarHBondContact OE1-NZ 3.41Å; Q472-K476 PolarHBondContact O-N 2.82Å; Q472-K476 VanDerWaalsContact O-N 3.12Å; V473-K476 WeakPolarHBondContact O-CB 3.34Å; V473-K476 PolarHBondContact O-N 2.64Å; G474-K476 VanDerWaalsContact C-N 3.33Å; G474-K476 PolarHBondContact O-N 3.4Å; K476-G479 PolarHBondContact O-N 3.39Å; K476-Y480 HydrophobicContact CD-CE2 4.45Å; K476-Y480 HydrophobicContact CG-CE2 3.86Å; K476-Y480 PolarHBondContact O-N 3.45Å; K476-Y480 VanDerWaalsContact O-N 3.15Å
477L92Very high88.8Confident0 Ų057.3 Ų57.30%028%0.28CS..Hα-helixtrans-67.8-41.9-177.4-67.9174.4000113F22 E384 Y387 Y388 V473 G474 G479 Y480 M481F22-L477 HydrophobicContact CD2-CD2 3.89Å; F22-L477 HydrophobicContact CE2-CD2 4.3Å; E384-L477 HydrophobicContact CB-CD1 4.34Å; E384-L477 HydrophobicContact CG-CD1 4.06Å; E384-L477 HydrophobicContact CG-CD2 3.96Å; E384-L477 HydrophobicContact CG-CG 4.38Å; Y387-L477 HydrophobicContact CD1-CB 4.46Å; Y387-L477 HydrophobicContact CD1-CD1 3.31Å; Y387-L477 HydrophobicContact CE1-CB 4.19Å; Y387-L477 HydrophobicContact CE1-CD1 3.88Å; Y387-L477 HydrophobicContact CG-CD1 3.84Å; Y388-L477 HydrophobicContact CD2-CD1 4.19Å; Y388-L477 HydrophobicContact CE2-CD1 3.62Å; Y388-L477 HydrophobicContact CE2-CD2 4.06Å; Y388-L477 HydrophobicContact CE2-CG 4.36Å; V473-L477 HydrophobicContact CG2-CD1 3.89Å; V473-L477 HydrophobicContact CG2-CG 4.19Å; V473-L477 WeakPolarHBondContact O-CB 3.36Å; V473-L477 WeakPolarHBondContact O-CG 3.35Å; V473-L477 PolarHBondContact O-N 3.08Å; G474-L477 PolarHBondContact O-N 3.4Å; L477-G479 VanDerWaalsContact C-N 3.26Å; L477-G479 PolarHBondContact O-N 3.41Å; L477-Y480 HydrophobicContact CD2-CD2 4.27Å; L477-Y480 PolarHBondContact O-N 3.43Å; L477-M481 WeakPolarHBondContact O-CG 3.47Å; L477-M481 PolarHBondContact O-N 2.85Å
478R90.9Very high87.3Confident27 Ų2756 Ų5610%0.10227%0.273CS..Hα-helixtrans-63.2-33.8172.9-70.4-171.2-61.4-87.94.1112.1K266 G268 Y387 G474 M481 T482K266-R478 WeakPolarHBondContact O-CD 3.39Å; G268-R478 PolarHBondContact O-NH2 2.94Å; Y387-R478 WeakPolarHBondContact OH-CG 3.29Å; Y387-R478 PolarHBondContact OH-NH1 3.2Å; G474-R478 VanDerWaalsContact O-CB 3.3Å; G474-R478 WeakPolarHBondContact O-CB 3.49Å; G474-R478 VanDerWaalsContact O-CG 3.3Å; G474-R478 WeakPolarHBondContact O-CG 3.46Å; G474-R478 PolarHBondContact O-N 3.41Å; R478-M481 HydrophobicContact CB-CE 4.28Å; R478-M481 HydrophobicContact CG-CE 3.79Å; R478-M481 PolarHBondContact O-N 3.45Å; R478-T482 WeakPolarHBondContact O-CB 3.39Å; R478-T482 PolarHBondContact O-N 2.88Å; R478-T482 PolarHBondContact O-OG1 2.97Å
479G89.9Confident85.7Confident29 Ų2960.5 Ų60.530%0.29930%0.303SS..Hα-helixtrans-57.2-51.5171.300000111.5K475 K476 L477 M481 T482 D483K475-G479 PolarHBondContact O-N 3.4Å; K476-G479 PolarHBondContact O-N 3.39Å; L477-G479 VanDerWaalsContact C-N 3.26Å; L477-G479 PolarHBondContact O-N 3.41Å; G479-M481 PolarHBondContact O-N 3.04Å; G479-T482 PolarHBondContact O-N 3.32Å; G479-D483 PolarHBondContact O-N 2.86Å
480Y83.8Confident83.7Confident103 Ų10363.2 Ų63.240%0.40433%0.325SS..Hα-helixtrans-59.4-46.4176.6-59.2-24.7000112.4F22 K476 L477 T482 D483 M484F22-Y480 HydrophobicContact CD1-CD2 4.19Å; F22-Y480 HydrophobicContact CD2-CD2 4.42Å; F22-Y480 HydrophobicContact CE1-CD2 4.1Å; F22-Y480 HydrophobicContact CE1-CG 4.49Å; F22-Y480 HydrophobicContact CE2-CD2 4.34Å; F22-Y480 HydrophobicContact CG-CD2 4.34Å; F22-Y480 HydrophobicContact CZ-CD2 4.17Å; K476-Y480 HydrophobicContact CD-CE2 4.45Å; K476-Y480 HydrophobicContact CG-CE2 3.86Å; K476-Y480 PolarHBondContact O-N 3.45Å; K476-Y480 VanDerWaalsContact O-N 3.15Å; L477-Y480 HydrophobicContact CD2-CD2 4.27Å; L477-Y480 PolarHBondContact O-N 3.43Å; Y480-T482 VanDerWaalsContact C-N 3.32Å; Y480-T482 PolarHBondContact O-N 3.14Å; Y480-D483 PolarHBondContact O-N 3.04Å; Y480-M484 WeakPolarHBondContact O-CB 3.48Å; Y480-M484 WeakPolarHBondContact O-CG 3.07Å; Y480-M484 PolarHBondContact O-N 3.47Å
481M78.5Confident81.3Confident27 Ų2769 Ų6913%0.13338%0.384CS..Hα-helixtrans-62.1-38.9177.7-67.8-173-68.900112.5P172 Y388 L477 R478 G479 M484 K485P172-M481 HydrophobicContact CG-CG 4.49Å; P172-M481 HydrophobicContact CG-SD 3.47Å; P172-M481 WeakPolarHBondContact CG-SD 3.47Å; Y388-M481 HydrophobicContact CE1-SD 4.47Å; L477-M481 WeakPolarHBondContact O-CG 3.47Å; L477-M481 PolarHBondContact O-N 2.85Å; R478-M481 HydrophobicContact CB-CE 4.28Å; R478-M481 HydrophobicContact CG-CE 3.79Å; R478-M481 PolarHBondContact O-N 3.45Å; G479-M481 PolarHBondContact O-N 3.04Å; M481-M484 PolarHBondContact O-N 2.89Å; M481-K485 WeakPolarHBondContact O-CB 3.37Å; M481-K485 PolarHBondContact O-N 2.89Å
482T82.5Confident80.5Confident76 Ų7672.1 Ų72.147%0.46640%0.402SS..Hα-helixtrans-64.8-43.9178-60.50000111.3R478 G479 Y480 K485 R486R478-T482 WeakPolarHBondContact O-CB 3.39Å; R478-T482 PolarHBondContact O-N 2.88Å; R478-T482 PolarHBondContact O-OG1 2.97Å; G479-T482 PolarHBondContact O-N 3.32Å; Y480-T482 VanDerWaalsContact C-N 3.32Å; Y480-T482 PolarHBondContact O-N 3.14Å; T482-K485 PolarHBondContact O-N 3.25Å; T482-R486 WeakPolarHBondContact O-CB 3.5Å; T482-R486 PolarHBondContact O-N 3.12Å
483D78.4Confident79.6Confident76 Ų7669.5 Ų69.541%0.40639%0.393SS..Hα-helixtrans-65.6-42.2177-72.2-26.3000111.3G479 Y480 K485 R486 I487G479-D483 PolarHBondContact O-N 2.86Å; Y480-D483 PolarHBondContact O-N 3.04Å; D483-K485 PolarHBondContact O-N 3.26Å; D483-R486 WeakPolarHBondContact O-CB 3.33Å; D483-R486 PolarHBondContact O-N 2.97Å; D483-R486 IonicContact OD1-CZ 3.08Å; D483-R486 IonicContact OD1-NH1 3.82Å; D483-R486 PolarHBondContact OD1-NH1 3.33Å; D483-I487 WeakPolarHBondContact O-CD1 3.33Å; D483-I487 VanDerWaalsContact O-CG1 3.24Å; D483-I487 WeakPolarHBondContact O-CG1 3.45Å; D483-I487 PolarHBondContact O-N 3.42Å
484M74.4Confident78.6Confident29 Ų2973.2 Ų73.214%0.14341%0.414CS..Hα-helixtrans-62.4-41.3175.7-71.6-64.2-7100112.4R25 F169 H201 R202 Y480 M481 I487 A488R25-M484 HydrophobicContact CG-CE 4.4Å; F169-M484 HydrophobicContact CE2-CB 4.28Å; H201-M484 WeakPolarHBondContact O-CE 3.4Å; R202-M484 WeakPolarHBondContact O-CB 3.23Å; R202-M484 WeakPolarHBondContact O-CE 3.23Å; Y480-M484 WeakPolarHBondContact O-CB 3.48Å; Y480-M484 WeakPolarHBondContact O-CG 3.07Å; Y480-M484 PolarHBondContact O-N 3.47Å; M481-M484 PolarHBondContact O-N 2.89Å; M484-I487 PolarHBondContact O-N 2.75Å; M484-A488 WeakPolarHBondContact O-CB 3.46Å; M484-A488 PolarHBondContact O-N 3.33Å
485K76Confident77.5Confident108 Ų10877.5 Ų77.547%0.4744%0.438SS..Hα-helixtrans-64.9-40.3175.1-171.6174.1-179173.60111.8F169 M481 T482 D483 I487 A488 V489F169-K485 HydrophobicContact CD2-CB 4.28Å; F169-K485 HydrophobicContact CD2-CG 4.41Å; F169-K485 HydrophobicContact CE1-CB 4.38Å; F169-K485 HydrophobicContact CE2-CB 3.72Å; F169-K485 HydrophobicContact CE2-CG 4.3Å; F169-K485 HydrophobicContact CZ-CB 3.79Å; F169-K485 HydrophobicContact CZ-CG 4.36Å; M481-K485 WeakPolarHBondContact O-CB 3.37Å; M481-K485 PolarHBondContact O-N 2.89Å; T482-K485 PolarHBondContact O-N 3.25Å; D483-K485 PolarHBondContact O-N 3.26Å; K485-I487 VanDerWaalsContact C-N 3.3Å; K485-I487 PolarHBondContact O-N 2.88Å; K485-A488 PolarHBondContact O-N 3.29Å; K485-V489 WeakPolarHBondContact O-CG2 3.29Å; K485-V489 PolarHBondContact O-N 3.01Å
486R74.7Confident76.3Confident161 Ų16172.3 Ų72.361%0.60842%0.422SS*.Hα-helixtrans-61.8-40.5175.2-168.7-173.5-64.5128.52.9111.3T482 D483 A490T482-R486 WeakPolarHBondContact O-CB 3.5Å; T482-R486 PolarHBondContact O-N 3.12Å; D483-R486 WeakPolarHBondContact O-CB 3.33Å; D483-R486 PolarHBondContact O-N 2.97Å; D483-R486 IonicContact OD1-CZ 3.08Å; D483-R486 IonicContact OD1-NH1 3.82Å; D483-R486 PolarHBondContact OD1-NH1 3.33Å; R486-A490 PolarHBondContact O-N 3.38Å
487I68.2Low75.2Confident75 Ų7571.7 Ų71.739%0.38543%0.426SS..Hα-helixtrans-67.2-44.1177.7-69.7160.5000111.4D483 M484 K485 V489 A490 G491D483-I487 WeakPolarHBondContact O-CD1 3.33Å; D483-I487 VanDerWaalsContact O-CG1 3.24Å; D483-I487 WeakPolarHBondContact O-CG1 3.45Å; D483-I487 PolarHBondContact O-N 3.42Å; M484-I487 PolarHBondContact O-N 2.75Å; K485-I487 VanDerWaalsContact C-N 3.3Å; K485-I487 PolarHBondContact O-N 2.88Å; I487-V489 PolarHBondContact O-N 3.35Å; I487-A490 PolarHBondContact O-N 3.26Å; I487-G491 PolarHBondContact O-N 2.78Å; I487-G491 VanDerWaalsContact O-N 3.07Å
488A67Low74Confident29 Ų2976.8 Ų76.824%0.2446%0.457CS..Hα-helixtrans-62.8-23.2-178.900000113.7F169 M484 K485F169-A488 HydrophobicContact CD2-CB 3.8Å; M484-A488 WeakPolarHBondContact O-CB 3.46Å; M484-A488 PolarHBondContact O-N 3.33Å; K485-A488 PolarHBondContact O-N 3.29Å
489V66.4Low72.7Confident124 Ų12480.6 Ų80.675%0.75248%0.484SS*.Hα-helixtrans-84.6-24.1173.1176.40000112K485 I487K485-V489 WeakPolarHBondContact O-CG2 3.29Å; K485-V489 PolarHBondContact O-N 3.01Å; I487-V489 PolarHBondContact O-N 3.35Å
490A55.6Low71.2Confident90 Ų9084.9 Ų84.974%0.74450%0.5SS*.Hα-helixtrans-92.3-20-174.800000114.3R486 I487R486-A490 PolarHBondContact O-N 3.38Å; I487-A490 PolarHBondContact O-N 3.26Å
491G49.3Very low70.1Confident121 Ų12183.3 Ų83.3100%1.24751%0.508SS*.  trans-97.20173.400000111.3I487I487-G491 PolarHBondContact O-N 2.78Å; I487-G491 VanDerWaalsContact O-N 3.07Å

Retrieved 491 of 491 residues in 662.7 ms (Link to these results)

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