A0A087YLP6_POEFO Loading...

Queuosine 5'-phosphate N-glycosylase/hydrolase

Catalyzes the hydrolysis of queuosine 5'-phosphate, releasing the nucleobase queuine (q). Is required for salvage of queuine from exogenous queuosine (Q) that is imported and then converted to queuosine 5'-phosphate intracellularly.

AlphaFold DB , UniProt , Accession A0A087YLP6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 339 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
1M62.3Low93.1Very high245 Ų24571.4 Ų71.4100%1.20734%0.339SS*.  0139.70-78.7-178.7-92.100107.5
2E83.8Confident93.5Very high122 Ų12271.3 Ų71.357%0.5734%0.338SS*.PPolyproline II helixtrans-66134.3177.4-169.3-179.4177.500109.9R200E2-R200 IonicContact OE1-NE 4Å
3K92.5Very high94Very high152 Ų15267.4 Ų67.466%0.66132%0.319SS*.PPolyproline II helixtrans-70.1134.2175.7-173.1179.4177.3-178.70108.4
4P96.3Very high94.3Very high26 Ų2662.6 Ų62.617%0.16930%0.296CS..PPolyproline II helixtrans-61.2149.2176.528.3-37.5000111.3E194 K201P4-E194 HydrophobicContact CB-CG 4.37Å; P4-E194 HydrophobicContact CG-CG 4.24Å; P4-E194 WeakPolarHBondContact CG-OE1 3.49Å; P4-K201 WeakPolarHBondContact CA-O 3.45Å; P4-K201 HydrophobicContact CB-CB 4.07Å
5L98.1Very high94.6Very high22 Ų2259.8 Ų59.812%0.11529%0.288CS..BIsolated β-bridgetrans-57.2147.1166.7-73.7-177.5000110.9E9 S10 F13 R200 K201 I202 S203L5-E9 HydrophobicContact CB-CB 4.14Å; L5-E9 HydrophobicContact CD1-CB 4.41Å; L5-E9 HydrophobicContact CD2-CB 4.1Å; L5-E9 HydrophobicContact CG-CB 4.46Å; L5-S10 VanDerWaalsContact CB-OG 3.26Å; L5-S10 WeakPolarHBondContact CB-OG 3.41Å; L5-S10 PolarHBondContact O-OG 2.67Å; L5-S10 VanDerWaalsContact O-OG 3.05Å; L5-F13 HydrophobicContact CD1-CB 3.72Å; L5-F13 HydrophobicContact CD1-CD1 4.42Å; L5-F13 HydrophobicContact CD1-CD2 4.44Å; L5-F13 HydrophobicContact CD1-CG 3.95Å; L5-R200 VanDerWaalsContact CD2-NH2 3.3Å; L5-K201 PolarHBondContact N-O 3.34Å; L5-I202 HydrophobicContact CD1-CG2 4.3Å; L5-S203 WeakPolarHBondContact O-CB 3.43Å; L5-S203 PolarHBondContact O-N 2.96Å; L5-S203 PolarHBondContact O-OG 3.48Å
6L97.8Very high94.8Very high50 Ų5063.2 Ų63.226%0.26230%0.303SS..PPolyproline II helixtrans-68.5164.1172.7-61.3177.4000110.6R8 E9 S10L6-R8 PolarHBondContact O-N 2.98Å; L6-E9 VanDerWaalsContact CB-OE2 3.23Å; L6-E9 WeakPolarHBondContact CB-OE2 3.38Å; L6-E9 PolarHBondContact N-OE2 2.79Å; L6-E9 PolarHBondContact O-N 3.34Å; L6-S10 VanDerWaalsContact O-CB 3.31Å; L6-S10 WeakPolarHBondContact O-CB 3.26Å; L6-S10 PolarHBondContact O-N 2.92Å; L6-S10 PolarHBondContact O-OG 2.71Å
7P98.4Very high95.1Very high11 Ų1165.4 Ų65.47%0.07131%0.308CS..Hα-helixtrans-53.2-45.7-174.3-31.337.8000115.3S10 G11 S203 N205 T234P7-S10 WeakPolarHBondContact O-CB 3.41Å; P7-S10 PolarHBondContact O-N 3.02Å; P7-G11 PolarHBondContact O-N 3.14Å; P7-S203 WeakPolarHBondContact CA-O 3.43Å; P7-N205 HydrophobicContact CG-CB 4.29Å; P7-T234 HydrophobicContact CB-CG2 4.06Å
8R98.6Very high95.3Very high70 Ų7062.7 Ų62.726%0.26430%0.297SS..Hα-helixtrans-60.6-49.9177.5177177.7-66.3123.812.2112.2L6 S10 G11 Q12 D231 T234 W283 E286L6-R8 PolarHBondContact O-N 2.98Å; R8-S10 VanDerWaalsContact C-N 3.3Å; R8-S10 PolarHBondContact O-N 3.31Å; R8-G11 PolarHBondContact O-N 3.24Å; R8-Q12 PolarHBondContact O-N 3.12Å; R8-D231 PolarHBondContact NH2-O 3.05Å; R8-T234 HydrophobicContact CB-CG2 3.83Å; R8-W283 HydrophobicContact CG-CZ3 4.3Å; R8-E286 HydrophobicContact CG-CG 4.22Å; R8-E286 IonicContact CZ-OE2 3.2Å; R8-E286 IonicContact NE-OE2 2.85Å; R8-E286 PolarHBondContact NE-OE2 3.35Å; R8-E286 IonicContact NH2-OE1 3.36Å; R8-E286 IonicContact NH2-OE2 3.15Å; R8-E286 PolarHBondContact NH2-OE2 3.07Å
9E98.6Very high95.4Very high87 Ų8765.3 Ų65.341%0.40731%0.307SS..Hα-helixtrans-67.2-35.2-178-61.9153.4166.900111.1L5 L6 F13L5-E9 HydrophobicContact CB-CB 4.14Å; L5-E9 HydrophobicContact CD1-CB 4.41Å; L5-E9 HydrophobicContact CD2-CB 4.1Å; L5-E9 HydrophobicContact CG-CB 4.46Å; L6-E9 VanDerWaalsContact CB-OE2 3.23Å; L6-E9 WeakPolarHBondContact CB-OE2 3.38Å; L6-E9 PolarHBondContact N-OE2 2.79Å; L6-E9 PolarHBondContact O-N 3.34Å; E9-F13 WeakPolarHBondContact O-CB 3.39Å; E9-F13 PolarHBondContact O-N 2.57Å
10S98.8Very high95.6Very high0 Ų063.1 Ų63.10%030%0.297CS..Hα-helixtrans-62.1-48.3172.2-63.50000110.7L5 L6 P7 R8 Q12 F13 V14 I202 S203L5-S10 VanDerWaalsContact CB-OG 3.26Å; L5-S10 WeakPolarHBondContact CB-OG 3.41Å; L5-S10 PolarHBondContact O-OG 2.67Å; L5-S10 VanDerWaalsContact O-OG 3.05Å; L6-S10 VanDerWaalsContact O-CB 3.31Å; L6-S10 WeakPolarHBondContact O-CB 3.26Å; L6-S10 PolarHBondContact O-N 2.92Å; L6-S10 PolarHBondContact O-OG 2.71Å; P7-S10 WeakPolarHBondContact O-CB 3.41Å; P7-S10 PolarHBondContact O-N 3.02Å; R8-S10 VanDerWaalsContact C-N 3.3Å; R8-S10 PolarHBondContact O-N 3.31Å; S10-Q12 PolarHBondContact O-N 3.11Å; S10-F13 PolarHBondContact O-N 3.08Å; S10-V14 WeakPolarHBondContact O-CB 3.37Å; S10-V14 VanDerWaalsContact O-CG2 3.24Å; S10-V14 WeakPolarHBondContact O-CG2 3.24Å; S10-V14 PolarHBondContact O-N 2.8Å; S10-I202 WeakPolarHBondContact OG-CB 3.47Å; S10-S203 VanDerWaalsContact CB-O 3.25Å; S10-S203 WeakPolarHBondContact CB-O 3.45Å; S10-S203 PolarHBondContact OG-N 3.15Å; S10-S203 PolarHBondContact OG-O 3.11Å; S10-S203 VanDerWaalsContact OG-O 3.08Å
11G98.8Very high95.7Very high0 Ų060.1 Ų60.10%028%0.284CS..Hα-helixtrans-56.8-49.3175.900000112.1P7 R8 V14 A15 G279P7-G11 PolarHBondContact O-N 3.14Å; R8-G11 PolarHBondContact O-N 3.24Å; G11-V14 PolarHBondContact O-N 3.17Å; G11-A15 VanDerWaalsContact O-CB 3.28Å; G11-A15 WeakPolarHBondContact O-CB 3.21Å; G11-A15 PolarHBondContact O-N 3.15Å; G11-G279 VanDerWaalsContact CA-O 3.23Å; G11-G279 WeakPolarHBondContact CA-O 3.48Å
12Q98.8Very high97.5Very high71 Ų7152.1 Ų52.133%0.33224%0.242SC..Hα-helixtrans-59.4-50.7176.4-174.3179.90.200111.9R8 S10 V14 A15 E16 W283R8-Q12 PolarHBondContact O-N 3.12Å; S10-Q12 PolarHBondContact O-N 3.11Å; Q12-V14 VanDerWaalsContact C-N 3.29Å; Q12-V14 PolarHBondContact O-N 3.17Å; Q12-A15 PolarHBondContact O-N 2.7Å; Q12-E16 HydrophobicContact CG-CG 4.46Å; Q12-E16 WeakPolarHBondContact CG-OE1 3.25Å; Q12-E16 PolarHBondContact NE2-OE1 2.88Å; Q12-E16 WeakPolarHBondContact O-CG 3.41Å; Q12-E16 PolarHBondContact O-N 3.08Å; Q12-W283 HydrophobicContact CB-CD2 3.77Å; Q12-W283 HydrophobicContact CB-CE3 3.6Å; Q12-W283 HydrophobicContact CB-CG 4.45Å; Q12-W283 HydrophobicContact CB-CH2 4.07Å; Q12-W283 HydrophobicContact CB-CZ2 4.21Å; Q12-W283 HydrophobicContact CB-CZ3 3.77Å; Q12-W283 HydrophobicContact CG-CD2 4.08Å; Q12-W283 HydrophobicContact CG-CE3 4.2Å; Q12-W283 HydrophobicContact CG-CH2 3.88Å; Q12-W283 HydrophobicContact CG-CZ2 3.71Å; Q12-W283 HydrophobicContact CG-CZ3 4.11Å
13F98.8Very high98.2Very high20 Ų2048.4 Ų48.49%0.08823%0.226CC..Hα-helixtrans-59.3-41-177.2178.1-98.7000112.3L5 E9 S10 R17 Y197 R200 I202L5-F13 HydrophobicContact CD1-CB 3.72Å; L5-F13 HydrophobicContact CD1-CD1 4.42Å; L5-F13 HydrophobicContact CD1-CD2 4.44Å; L5-F13 HydrophobicContact CD1-CG 3.95Å; E9-F13 WeakPolarHBondContact O-CB 3.39Å; E9-F13 PolarHBondContact O-N 2.57Å; S10-F13 PolarHBondContact O-N 3.08Å; F13-R17 VanDerWaalsContact CD2-NH1 3.29Å; F13-R17 PolarHBondContact O-NH1 3.12Å; F13-Y197 HydrophobicContact CD1-CD1 4.25Å; F13-Y197 HydrophobicContact CE1-CD1 4Å; F13-R200 HydrophobicContact CE1-CB 3.71Å; F13-R200 HydrophobicContact CE1-CG 4.4Å; F13-R200 HydrophobicContact CZ-CB 3.72Å; F13-R200 HydrophobicContact CZ-CG 4.34Å; F13-I202 HydrophobicContact CD1-CG2 4.14Å
14V98.9Very high98.5Very high0 Ų045.9 Ų45.90%021%0.212CC..Hα-helixtrans-67.5-49.4175.4171.20000110.6S10 G11 Q12 E16 R17 S18 Y197 I202 V275 E276S10-V14 WeakPolarHBondContact O-CB 3.37Å; S10-V14 VanDerWaalsContact O-CG2 3.24Å; S10-V14 WeakPolarHBondContact O-CG2 3.24Å; S10-V14 PolarHBondContact O-N 2.8Å; G11-V14 PolarHBondContact O-N 3.17Å; Q12-V14 VanDerWaalsContact C-N 3.29Å; Q12-V14 PolarHBondContact O-N 3.17Å; V14-E16 VanDerWaalsContact C-N 3.31Å; V14-E16 PolarHBondContact O-N 3.27Å; V14-R17 CarbonylContact O-C 3.58Å; V14-R17 PolarHBondContact O-N 2.78Å; V14-S18 PolarHBondContact O-N 2.95Å; V14-Y197 HydrophobicContact CB-CE1 4.45Å; V14-Y197 HydrophobicContact CG1-CE1 4.41Å; V14-Y197 HydrophobicContact CG2-CD1 3.89Å; V14-Y197 HydrophobicContact CG2-CE1 4.29Å; V14-Y197 HydrophobicContact CG2-CG 4.09Å; V14-I202 HydrophobicContact CG2-CD1 3.79Å; V14-V275 HydrophobicContact CG1-CG1 4.28Å; V14-V275 HydrophobicContact CG2-CG1 3.8Å; V14-E276 HydrophobicContact CG1-CB 4.49Å; V14-E276 HydrophobicContact CG1-CG 4.23Å
15A98.7Very high98.6Very high21 Ų2149.2 Ų49.217%0.17423%0.229CC..Hα-helixtrans-60.2-38-177.200000113.2G11 Q12 R17 I23 W283G11-A15 VanDerWaalsContact O-CB 3.28Å; G11-A15 WeakPolarHBondContact O-CB 3.21Å; G11-A15 PolarHBondContact O-N 3.15Å; Q12-A15 PolarHBondContact O-N 2.7Å; A15-R17 PolarHBondContact O-N 2.93Å; A15-I23 HydrophobicContact CB-CD1 3.87Å; A15-W283 HydrophobicContact CB-CB 3.84Å; A15-W283 VanDerWaalsContact CB-CD1 3.47Å; A15-W283 HydrophobicContact CB-CG 3.89Å
16E98.5Very high98.6Very high114 Ų11451.8 Ų51.853%0.53325%0.254SS..THydrogen-bonded Turntrans-64.9-17.9175.4-73.2172.4179.500114Q12 V14Q12-E16 HydrophobicContact CG-CG 4.46Å; Q12-E16 WeakPolarHBondContact CG-OE1 3.25Å; Q12-E16 PolarHBondContact NE2-OE1 2.88Å; Q12-E16 WeakPolarHBondContact O-CG 3.41Å; Q12-E16 PolarHBondContact O-N 3.08Å; V14-E16 VanDerWaalsContact C-N 3.31Å; V14-E16 PolarHBondContact O-N 3.27Å
17R98.6Very high98.6Very high100 Ų10049.7 Ų49.738%0.37724%0.244SC..THydrogen-bonded Turntrans-126.56-171.5-70.5167.6-172.468.78.3113F13 V14 A15 Y197F13-R17 VanDerWaalsContact CD2-NH1 3.29Å; F13-R17 PolarHBondContact O-NH1 3.12Å; V14-R17 CarbonylContact O-C 3.58Å; V14-R17 PolarHBondContact O-N 2.78Å; A15-R17 PolarHBondContact O-N 2.93Å; R17-Y197 HydrophobicContact CB-CE1 3.92Å; R17-Y197 PolarHBondContact O-OH 3.49Å
18S98.5Very high98.7Very high18 Ų1849.2 Ų49.213%0.12624%0.241CC..  trans-67.9140.7-177.4178.30000110.7V14 V21 E276V14-S18 PolarHBondContact O-N 2.95Å; S18-V21 VanDerWaalsContact CB-O 3.25Å; S18-V21 WeakPolarHBondContact CB-O 3.39Å; S18-V21 PolarHBondContact OG-N 2.97Å; S18-V21 VanDerWaalsContact OG-N 3.12Å; S18-V21 PolarHBondContact OG-O 2.64Å; S18-E276 PolarHBondContact OG-OE2 3.46Å
19K98.4Very high98.7Very high111 Ų11148.1 Ų48.148%0.48324%0.239SC..SBendtrans-110.1-26.2-179.6-58.5172.5-172.8157.70112.5F22 E198 E276K19-F22 WeakPolarHBondContact O-CZ 3.37Å; K19-E198 IonicContact NZ-OE1 2.79Å; K19-E198 PolarHBondContact NZ-OE1 2.87Å; K19-E276 VanDerWaalsContact N-CD 3.28Å; K19-E276 PolarHBondContact N-OE1 3.44Å; K19-E276 VanDerWaalsContact N-OE1 3.08Å; K19-E276 PolarHBondContact N-OE2 2.86Å; K19-E276 VanDerWaalsContact N-OE2 3.15Å
20D98.6Very high98.7Very high21 Ų2149.5 Ų49.511%0.11224%0.243CC..SBendtrans-117.3-10.2-176.1-68.6-61.7000114Y253 S254 L257 R272 E276D20-Y253 CarbonylContact O-C 3.57Å; D20-Y253 VanDerWaalsContact O-CA 3.25Å; D20-Y253 WeakPolarHBondContact O-CA 3.42Å; D20-S254 PolarHBondContact O-N 2.77Å; D20-S254 WeakPolarHBondContact OD1-CB 3.26Å; D20-S254 PolarHBondContact OD1-OG 3.48Å; D20-L257 HydrophobicContact CB-CB 3.9Å; D20-L257 HydrophobicContact CB-CD2 3.78Å; D20-L257 HydrophobicContact CB-CG 4.43Å; D20-R272 IonicContact OD2-CZ 3.51Å; D20-R272 IonicContact OD2-NH1 3.5Å; D20-R272 PolarHBondContact OD2-NH1 3.23Å; D20-R272 IonicContact OD2-NH2 2.67Å; D20-R272 PolarHBondContact OD2-NH2 3.16Å; D20-E276 WeakPolarHBondContact CA-OE2 3.12Å; D20-E276 WeakPolarHBondContact CB-OE2 3.39Å; D20-E276 PolarHBondContact N-OE2 2.96Å
21V98.8Very high98.7Very high2 Ų249.6 Ų49.61%0.01224%0.244CC..EExtended strand (participates in β ladder)trans-126.1118.7179-174.10000110.8S18 L251 Y253 L257 E276 I277 C280S18-V21 VanDerWaalsContact CB-O 3.25Å; S18-V21 WeakPolarHBondContact CB-O 3.39Å; S18-V21 PolarHBondContact OG-N 2.97Å; S18-V21 VanDerWaalsContact OG-N 3.12Å; S18-V21 PolarHBondContact OG-O 2.64Å; V21-L251 HydrophobicContact CG1-CD2 4.15Å; V21-Y253 HydrophobicContact CB-CD1 4.29Å; V21-Y253 HydrophobicContact CB-CE1 4.47Å; V21-Y253 HydrophobicContact CG1-CD1 3.93Å; V21-Y253 HydrophobicContact CG1-CE1 3.79Å; V21-Y253 HydrophobicContact CG2-CD1 3.83Å; V21-Y253 HydrophobicContact CG2-CE1 3.96Å; V21-L257 HydrophobicContact CG2-CD2 3.61Å; V21-E276 HydrophobicContact CB-CB 4.26Å; V21-E276 HydrophobicContact CG2-CB 3.88Å; V21-I277 HydrophobicContact CG2-CG1 3.75Å; V21-C280 HydrophobicContact CB-CB 4.12Å; V21-C280 HydrophobicContact CG1-CB 3.46Å; V21-C280 VanDerWaalsContact CG1-CB 3.46Å; V21-C280 PolarHBondContact O-SG 3.06Å; V21-C280 VanDerWaalsContact O-SG 3.41Å
22F98.8Very high98.6Very high76 Ų7649.6 Ų49.633%0.33324%0.244SC..EExtended strand (participates in β ladder)trans-114.3136.5-176.1-53.1-77.3000111.1K19 L251 E252K19-F22 WeakPolarHBondContact O-CZ 3.37Å; F22-L251 CarbonylContact O-C 3.4Å; F22-L251 WeakPolarHBondContact O-CA 3.44Å; F22-E252 PolarHBondContact N-O 2.9Å; F22-E252 PolarHBondContact O-N 3.2Å
23I98.8Very high98.6Very high45 Ų4550.7 Ų50.723%0.23125%0.249CC..EExtended strand (participates in β ladder)trans-90.5127.7173.3-55.4171.5000108.6A15 V28 V250 L251 C280 W283 L287A15-I23 HydrophobicContact CB-CD1 3.87Å; I23-V28 HydrophobicContact CG2-CG2 3.76Å; I23-V250 WeakPolarHBondContact CA-O 3.45Å; I23-L251 HydrophobicContact CG1-CD2 3.83Å; I23-C280 HydrophobicContact CD1-CB 4.47Å; I23-C280 HydrophobicContact CG1-CB 4.27Å; I23-W283 HydrophobicContact CD1-CB 4.1Å; I23-W283 HydrophobicContact CD1-CG 4.24Å; I23-L287 HydrophobicContact CD1-CD1 4.32Å; I23-L287 HydrophobicContact CG2-CD1 4.09Å
24R98.8Very high98.5Very high98 Ų9852 Ų5237%0.3726%0.256SS..  trans-103.2115.4-179.7-59.8-54.7-166.7-165.52.1110.4A26 G27 V28 G249 V250 E252R24-A26 VanDerWaalsContact C-N 3.26Å; R24-A26 PolarHBondContact O-N 2.92Å; R24-G27 PolarHBondContact O-N 3.33Å; R24-V28 PolarHBondContact O-N 3.03Å; R24-G249 WeakPolarHBondContact CB-O 3.43Å; R24-V250 PolarHBondContact N-O 3.31Å; R24-E252 HydrophobicContact CG-CB 4.06Å; R24-E252 IonicContact CZ-OE1 3.9Å; R24-E252 IonicContact CZ-OE2 3.13Å; R24-E252 IonicContact NE-OE1 3.28Å; R24-E252 IonicContact NE-OE2 2.9Å; R24-E252 PolarHBondContact NE-OE2 2.78Å; R24-E252 IonicContact NH2-OE1 3.62Å; R24-E252 PolarHBondContact NH2-OE1 3.25Å; R24-E252 IonicContact NH2-OE2 3.15Å; R24-E252 PolarHBondContact NH2-OE2 2.97Å
25D98.4Very high98.5Very high96 Ų9652 Ų5251%0.51326%0.256SS..Hα-helixtrans-57.7-37.1-177.9-173.773.1000112.8G27 V28 Q29 R291D25-G27 VanDerWaalsContact C-N 3.31Å; D25-G27 PolarHBondContact O-N 3.01Å; D25-V28 WeakPolarHBondContact O-CB 3.24Å; D25-V28 PolarHBondContact O-N 2.88Å; D25-Q29 WeakPolarHBondContact O-CB 3.4Å; D25-Q29 PolarHBondContact O-N 2.89Å; D25-R291 IonicContact OD1-CZ 2.76Å; D25-R291 IonicContact OD1-NH2 2.83Å; D25-R291 PolarHBondContact OD1-NH2 2.95Å; D25-R291 IonicContact OD2-NH1 3.91Å; D25-R291 IonicContact OD2-NH2 3.73Å
26A98.5Very high98.4Very high77 Ų7752.1 Ų52.164%0.63625%0.252SS*.Hα-helixtrans-60.8-39.6176.100000112.4R24 K30R24-A26 VanDerWaalsContact C-N 3.26Å; R24-A26 PolarHBondContact O-N 2.92Å; A26-K30 WeakPolarHBondContact O-CB 3.36Å; A26-K30 PolarHBondContact O-N 3.47Å
27G98.6Very high98.3Very high6 Ų650.8 Ų50.86%0.06226%0.256CS..Hα-helixtrans-68.3-44.2174.300000112.3R24 D25 Q29 K30 V31 G249R24-G27 PolarHBondContact O-N 3.33Å; D25-G27 VanDerWaalsContact C-N 3.31Å; D25-G27 PolarHBondContact O-N 3.01Å; G27-Q29 VanDerWaalsContact C-N 3.31Å; G27-Q29 PolarHBondContact O-N 3.21Å; G27-K30 PolarHBondContact O-N 2.91Å; G27-V31 WeakPolarHBondContact O-CG2 3.39Å; G27-V31 PolarHBondContact O-N 2.79Å; G27-G249 VanDerWaalsContact CA-O 3.31Å; G27-G249 WeakPolarHBondContact CA-O 3.16Å
28V98.8Very high98Very high1 Ų148.3 Ų48.31%0.00625%0.25CC..Hα-helixtrans-54.6-48.5174170.30000110.6I23 R24 D25 V31 A32 V250 L287 I288I23-V28 HydrophobicContact CG2-CG2 3.76Å; R24-V28 PolarHBondContact O-N 3.03Å; D25-V28 WeakPolarHBondContact O-CB 3.24Å; D25-V28 PolarHBondContact O-N 2.88Å; V28-V31 PolarHBondContact O-N 2.78Å; V28-A32 WeakPolarHBondContact O-CB 3.26Å; V28-A32 PolarHBondContact O-N 3.03Å; V28-V250 HydrophobicContact CG2-CG1 3.95Å; V28-L287 HydrophobicContact CG1-CB 3.98Å; V28-L287 HydrophobicContact CG2-CB 4.42Å; V28-I288 HydrophobicContact CB-CG1 4.33Å; V28-I288 HydrophobicContact CG1-CG1 3.95Å; V28-I288 HydrophobicContact CG2-CG1 4.41Å
29Q98.7Very high97.8Very high46 Ų4650.1 Ų50.122%0.21525%0.254CS..Hα-helixtrans-60.8-48.5177.6-179.761.63200111.8D25 G27 V31 A32 E33 R291D25-Q29 WeakPolarHBondContact O-CB 3.4Å; D25-Q29 PolarHBondContact O-N 2.89Å; G27-Q29 VanDerWaalsContact C-N 3.31Å; G27-Q29 PolarHBondContact O-N 3.21Å; Q29-V31 VanDerWaalsContact C-N 3.35Å; Q29-V31 PolarHBondContact O-N 3.39Å; Q29-A32 PolarHBondContact O-N 3.27Å; Q29-E33 PolarHBondContact NE2-OE1 3Å; Q29-E33 WeakPolarHBondContact O-CG 3.46Å; Q29-E33 PolarHBondContact O-N 3.22Å; Q29-R291 VanDerWaalsContact OE1-CG 3.25Å
30K98.5Very high97.3Very high117 Ų11753.8 Ų53.851%0.50927%0.265SS..Hα-helixtrans-58.2-45.5179.1177-172.7170.6-166.50111.9A26 G27 E33 M34A26-K30 WeakPolarHBondContact O-CB 3.36Å; A26-K30 PolarHBondContact O-N 3.47Å; G27-K30 PolarHBondContact O-N 2.91Å; K30-E33 PolarHBondContact O-N 3.22Å; K30-M34 PolarHBondContact O-N 3.46Å
31V98.5Very high96.8Very high1 Ų154.3 Ų54.31%0.00627%0.27CS..Hα-helixtrans-69.5-40.3179.1175.10000111G27 V28 Q29 E33 M34 L35 L248 V250 I288G27-V31 WeakPolarHBondContact O-CG2 3.39Å; G27-V31 PolarHBondContact O-N 2.79Å; V28-V31 PolarHBondContact O-N 2.78Å; Q29-V31 VanDerWaalsContact C-N 3.35Å; Q29-V31 PolarHBondContact O-N 3.39Å; V31-E33 VanDerWaalsContact C-N 3.29Å; V31-E33 PolarHBondContact O-N 3.42Å; V31-M34 HydrophobicContact CG1-CE 4.03Å; V31-M34 WeakPolarHBondContact O-CB 3.38Å; V31-M34 PolarHBondContact O-N 3Å; V31-L35 HydrophobicContact CG1-CD1 4.16Å; V31-L35 HydrophobicContact CG1-CG 4.26Å; V31-L35 WeakPolarHBondContact O-CG 3.35Å; V31-L35 PolarHBondContact O-N 2.92Å; V31-L248 HydrophobicContact CG2-CB 3.74Å; V31-L248 HydrophobicContact CG2-CD1 3.92Å; V31-L248 HydrophobicContact CG2-CD2 4.44Å; V31-L248 HydrophobicContact CG2-CG 4.25Å; V31-V250 HydrophobicContact CB-CG2 4.17Å; V31-V250 HydrophobicContact CG2-CG2 3.45Å; V31-V250 VanDerWaalsContact CG2-CG2 3.45Å; V31-I288 HydrophobicContact CB-CD1 4.06Å; V31-I288 HydrophobicContact CB-CG1 4.32Å; V31-I288 HydrophobicContact CG1-CD1 3.76Å; V31-I288 HydrophobicContact CG1-CG1 4.27Å; V31-I288 HydrophobicContact CG1-CG2 3.99Å
32A98.5Very high96.1Very high0 Ų060.4 Ų60.40%030%0.298CS..Hα-helixtrans-59.8-39.4173.800000112.2V28 Q29 F36 I288 R291 M295V28-A32 WeakPolarHBondContact O-CB 3.26Å; V28-A32 PolarHBondContact O-N 3.03Å; Q29-A32 PolarHBondContact O-N 3.27Å; A32-F36 WeakPolarHBondContact O-CB 3.21Å; A32-F36 PolarHBondContact O-N 3.49Å; A32-I288 HydrophobicContact CB-CG2 4.44Å; A32-R291 HydrophobicContact CB-CB 3.75Å; A32-R291 HydrophobicContact CB-CG 3.74Å; A32-M295 HydrophobicContact CB-SD 4.3Å
33E98.2Very high95.3Very high95 Ų9561.1 Ų61.144%0.44430%0.302SS..Hα-helixtrans-65.4-42.6174.1-74.9170.5-178.600113Q29 K30 V31 F36 S37 M295Q29-E33 PolarHBondContact NE2-OE1 3Å; Q29-E33 WeakPolarHBondContact O-CG 3.46Å; Q29-E33 PolarHBondContact O-N 3.22Å; K30-E33 PolarHBondContact O-N 3.22Å; V31-E33 VanDerWaalsContact C-N 3.29Å; V31-E33 PolarHBondContact O-N 3.42Å; E33-F36 WeakPolarHBondContact O-CB 3.45Å; E33-F36 PolarHBondContact O-N 2.67Å; E33-S37 PolarHBondContact O-N 2.83Å; E33-M295 HydrophobicContact CB-CE 4.4Å; E33-M295 HydrophobicContact CG-CE 3.71Å; E33-M295 HydrophobicContact CG-SD 4.2Å
34M97.5Very high94.8Very high47 Ų4759.3 Ų59.323%0.23229%0.292CS..Hα-helixtrans-59.4-51.7174.1179.9-172.470.100110.7K30 V31 F36 S37 L38 Y314K30-M34 PolarHBondContact O-N 3.46Å; V31-M34 HydrophobicContact CG1-CE 4.03Å; V31-M34 WeakPolarHBondContact O-CB 3.38Å; V31-M34 PolarHBondContact O-N 3Å; M34-F36 VanDerWaalsContact C-N 3.3Å; M34-F36 PolarHBondContact O-N 2.88Å; M34-S37 WeakPolarHBondContact O-CB 3.44Å; M34-S37 PolarHBondContact O-N 2.99Å; M34-S37 VanDerWaalsContact O-N 3.11Å; M34-S37 PolarHBondContact O-OG 3.28Å; M34-L38 HydrophobicContact CG-CD1 4.38Å; M34-L38 WeakPolarHBondContact O-CG 3.31Å; M34-L38 PolarHBondContact O-N 2.71Å; M34-Y314 HydrophobicContact CE-CE1 3.66Å
35L97.2Very high94.2Very high0 Ų057.2 Ų57.20%029%0.29CS..Hα-helixtrans-63.6-36.7177.7-64.9179.9000111.8V31 S37 L38 R39 L44 I288 L292 I311 Y314V31-L35 HydrophobicContact CG1-CD1 4.16Å; V31-L35 HydrophobicContact CG1-CG 4.26Å; V31-L35 WeakPolarHBondContact O-CG 3.35Å; V31-L35 PolarHBondContact O-N 2.92Å; L35-S37 VanDerWaalsContact C-N 3.31Å; L35-S37 PolarHBondContact O-N 2.82Å; L35-L38 CarbonylContact O-C 3.35Å; L35-L38 PolarHBondContact O-N 2.93Å; L35-L38 VanDerWaalsContact O-N 3.08Å; L35-R39 PolarHBondContact O-N 2.92Å; L35-L44 HydrophobicContact CB-CD1 4.3Å; L35-L44 HydrophobicContact CD2-CD1 4.16Å; L35-L44 HydrophobicContact CD2-CD2 4Å; L35-L44 WeakPolarHBondContact O-CD1 3.24Å; L35-I288 HydrophobicContact CD1-CG2 3.58Å; L35-L292 HydrophobicContact CB-CD1 4.34Å; L35-L292 HydrophobicContact CB-CD2 4.1Å; L35-L292 HydrophobicContact CD1-CD2 4.48Å; L35-I311 HydrophobicContact CD1-CD1 4.24Å; L35-I311 HydrophobicContact CD1-CG1 4.06Å; L35-I311 HydrophobicContact CD1-CG2 3.84Å; L35-Y314 HydrophobicContact CD2-CD1 3.65Å; L35-Y314 HydrophobicContact CD2-CE1 3.9Å; L35-Y314 HydrophobicContact CD2-CG 4.2Å
36F97.1Very high93.4Very high23 Ų2353.3 Ų53.310%0.10127%0.271CS..Hα-helixtrans-59-44.5173.4-179.6-90.7000110.5A32 E33 M34 L38 R39 L292 M295 V296 K299A32-F36 WeakPolarHBondContact O-CB 3.21Å; A32-F36 PolarHBondContact O-N 3.49Å; E33-F36 WeakPolarHBondContact O-CB 3.45Å; E33-F36 PolarHBondContact O-N 2.67Å; M34-F36 VanDerWaalsContact C-N 3.3Å; M34-F36 PolarHBondContact O-N 2.88Å; F36-L38 PolarHBondContact O-N 3.29Å; F36-R39 VanDerWaalsContact CE1-NH1 3.33Å; F36-R39 WeakPolarHBondContact O-CB 3.28Å; F36-R39 WeakPolarHBondContact O-CD 3.36Å; F36-R39 WeakPolarHBondContact O-CG 3.43Å; F36-R39 PolarHBondContact O-N 2.97Å; F36-R39 PolarHBondContact O-NH1 3.26Å; F36-L292 HydrophobicContact CB-CD1 3.79Å; F36-L292 HydrophobicContact CD2-CD1 4.28Å; F36-M295 HydrophobicContact CB-CE 3.8Å; F36-M295 HydrophobicContact CB-SD 4.47Å; F36-M295 HydrophobicContact CD1-CE 4.12Å; F36-M295 HydrophobicContact CD2-CB 3.7Å; F36-M295 HydrophobicContact CD2-CE 4.17Å; F36-M295 HydrophobicContact CE2-CB 4.04Å; F36-M295 WeakPolarHBondContact CE2-O 3.24Å; F36-M295 HydrophobicContact CG-CB 4.41Å; F36-M295 HydrophobicContact CG-CE 3.76Å; F36-V296 HydrophobicContact CD2-CG2 3.8Å; F36-V296 HydrophobicContact CE2-CG2 3.94Å; F36-K299 HydrophobicContact CE1-CD 3.91Å; F36-K299 HydrophobicContact CE2-CB 4.18Å; F36-K299 HydrophobicContact CE2-CD 4.21Å; F36-K299 HydrophobicContact CZ-CB 3.7Å; F36-K299 HydrophobicContact CZ-CD 3.62Å; F36-K299 HydrophobicContact CZ-CG 4.24Å
37S95.8Very high92.4Very high86 Ų8652.8 Ų52.860%0.60126%0.263SS*.Hα-helixtrans-61.4-31.3176.780.50000112.8E33 M34 L35E33-S37 PolarHBondContact O-N 2.83Å; M34-S37 WeakPolarHBondContact O-CB 3.44Å; M34-S37 PolarHBondContact O-N 2.99Å; M34-S37 VanDerWaalsContact O-N 3.11Å; M34-S37 PolarHBondContact O-OG 3.28Å; L35-S37 VanDerWaalsContact C-N 3.31Å; L35-S37 PolarHBondContact O-N 2.82Å
38L93.8Very high91.3Very high48 Ų4852.6 Ų52.625%0.25126%0.261SS..Hα-helixtrans-92.4-4.3-179.1-63.6173.8000114.3M34 L35 F36 R40 S41 L44 Y314M34-L38 HydrophobicContact CG-CD1 4.38Å; M34-L38 WeakPolarHBondContact O-CG 3.31Å; M34-L38 PolarHBondContact O-N 2.71Å; L35-L38 CarbonylContact O-C 3.35Å; L35-L38 PolarHBondContact O-N 2.93Å; L35-L38 VanDerWaalsContact O-N 3.08Å; F36-L38 PolarHBondContact O-N 3.29Å; L38-R40 PolarHBondContact O-N 2.81Å; L38-S41 VanDerWaalsContact O-CB 3.24Å; L38-S41 WeakPolarHBondContact O-CB 3.25Å; L38-S41 PolarHBondContact O-N 3.11Å; L38-S41 PolarHBondContact O-OG 2.86Å; L38-L44 HydrophobicContact CB-CD1 3.8Å; L38-Y314 HydrophobicContact CD1-CE2 3.62Å; L38-Y314 WeakPolarHBondContact CD1-OH 3.34Å
39R93.3Very high90.5Very high57 Ų5752.9 Ų52.922%0.21526%0.262CS..THydrogen-bonded Turntrans-57.2-15.1-168.174.3-167.3177.4-74.58.1116.4L35 F36 D300 I306L35-R39 PolarHBondContact O-N 2.92Å; F36-R39 VanDerWaalsContact CE1-NH1 3.33Å; F36-R39 WeakPolarHBondContact O-CB 3.28Å; F36-R39 WeakPolarHBondContact O-CD 3.36Å; F36-R39 WeakPolarHBondContact O-CG 3.43Å; F36-R39 PolarHBondContact O-N 2.97Å; F36-R39 PolarHBondContact O-NH1 3.26Å; R39-D300 IonicContact CZ-OD1 2.68Å; R39-D300 IonicContact CZ-OD2 3.2Å; R39-D300 VanDerWaalsContact CZ-OD2 3.28Å; R39-D300 IonicContact NE-OD1 3.74Å; R39-D300 IonicContact NE-OD2 3.61Å; R39-D300 PolarHBondContact NE-OD2 3.23Å; R39-D300 IonicContact NH2-OD1 2.7Å; R39-D300 PolarHBondContact NH2-OD1 3.39Å; R39-D300 IonicContact NH2-OD2 3.38Å; R39-D300 PolarHBondContact NH2-OD2 3.15Å; R39-I306 HydrophobicContact CB-CD1 3.95Å
40R89.1Confident89.6Confident188 Ų18857.4 Ų57.471%0.70928%0.281SS*.THydrogen-bonded Turntrans-105.30.6177.6-59.4-174.3-177.1172.73.2113.1L38 D300L38-R40 PolarHBondContact O-N 2.81Å; R40-D300 IonicContact NH2-OD2 3.16Å; R40-D300 PolarHBondContact NH2-OD2 3.26Å; R40-D300 VanDerWaalsContact NH2-OD2 3.13Å
41S87.9Confident88.5Confident32 Ų3255.4 Ų55.422%0.22428%0.278CS..SBendtrans-80.5156.517772.90000111.1L38 F43 L44L38-S41 VanDerWaalsContact O-CB 3.24Å; L38-S41 WeakPolarHBondContact O-CB 3.25Å; L38-S41 PolarHBondContact O-N 3.11Å; L38-S41 PolarHBondContact O-OG 2.86Å; S41-F43 PolarHBondContact O-N 2.68Å; S41-L44 PolarHBondContact O-N 2.82Å
42E83.9Confident87.5Confident129 Ų12956 Ų5660%0.60328%0.284SS*.G310 helixtrans-66-13.7175.366.1-173.6143.900113.8L44 T45E42-L44 VanDerWaalsContact C-N 3.29Å; E42-L44 PolarHBondContact O-N 3.08Å; E42-T45 PolarHBondContact O-OG1 3.44Å
43F81.4Confident86.8Confident92 Ų9256.6 Ų56.640%0.40429%0.287SS..G310 helixtrans-75.5-17.7178.2-57.4-68.3000113.2S41 V51 Y314S41-F43 PolarHBondContact O-N 2.68Å; F43-V51 HydrophobicContact CE1-CG1 4.45Å; F43-Y314 HydrophobicContact CB-CD2 4.1Å
44L87.9Confident86.4Confident6 Ų656.1 Ų56.13%0.03129%0.292CS..G310 helixtrans-110.844.3178.7-65.5178.8000111.8L35 L38 S41 E42 I306 I310 Y314L35-L44 HydrophobicContact CB-CD1 4.3Å; L35-L44 HydrophobicContact CD2-CD1 4.16Å; L35-L44 HydrophobicContact CD2-CD2 4Å; L35-L44 WeakPolarHBondContact O-CD1 3.24Å; L38-L44 HydrophobicContact CB-CD1 3.8Å; S41-L44 PolarHBondContact O-N 2.82Å; E42-L44 VanDerWaalsContact C-N 3.29Å; E42-L44 PolarHBondContact O-N 3.08Å; L44-I306 HydrophobicContact CB-CD1 4.1Å; L44-I306 HydrophobicContact CB-CG1 4.49Å; L44-I306 HydrophobicContact CD1-CD1 4.17Å; L44-I310 HydrophobicContact CB-CG2 4.12Å; L44-I310 HydrophobicContact CD2-CG2 4.17Å; L44-I310 WeakPolarHBondContact O-CG2 3.41Å; L44-Y314 HydrophobicContact CD2-CD2 4.42Å; L44-Y314 HydrophobicContact CD2-CG 4.11Å
45T86.5Confident86.2Confident54 Ų5454.5 Ų54.533%0.33128%0.284SS..SBendtrans-137.8170.7173.570.40000109.7E42 S47 G48E42-T45 PolarHBondContact O-OG1 3.44Å; T45-S47 PolarHBondContact O-N 3.42Å; T45-S47 VanDerWaalsContact O-N 3.16Å; T45-S47 PolarHBondContact OG1-N 2.91Å; T45-S47 PolarHBondContact OG1-OG 3.38Å; T45-G48 PolarHBondContact O-N 2.81Å
46A81.8Confident86Confident14 Ų1455.5 Ų55.512%0.11629%0.292CS..THydrogen-bonded Turntrans-57.7-26173.100000113G48 W49 W216 E220A46-G48 PolarHBondContact O-N 3.33Å; A46-W49 VanDerWaalsContact O-CB 3.32Å; A46-W49 WeakPolarHBondContact O-CB 3.25Å; A46-W49 PolarHBondContact O-N 3.41Å; A46-W216 HydrophobicContact CB-CE3 4.4Å; A46-W216 HydrophobicContact CB-CH2 3.65Å; A46-W216 HydrophobicContact CB-CZ2 3.84Å; A46-W216 HydrophobicContact CB-CZ3 3.94Å; A46-E220 HydrophobicContact CB-CB 4.24Å; A46-E220 HydrophobicContact CB-CG 4.09Å
47S78.3Confident85.7Confident67 Ų6755.5 Ų55.547%0.46929%0.294SS..THydrogen-bonded Turntrans-68.8-16.6176.6610000113.5T45 W49 K50T45-S47 PolarHBondContact O-N 3.42Å; T45-S47 VanDerWaalsContact O-N 3.16Å; T45-S47 PolarHBondContact OG1-N 2.91Å; T45-S47 PolarHBondContact OG1-OG 3.38Å; S47-W49 PolarHBondContact O-N 2.83Å; S47-W49 VanDerWaalsContact O-N 3.15Å; S47-K50 WeakPolarHBondContact O-CB 3.43Å; S47-K50 PolarHBondContact O-N 3.02Å
48G74.7Confident85.4Confident2 Ų254.4 Ų54.42%0.02129%0.291CS..Hα-helixtrans-54.1-29.1170.800000112.8T45 A46 K50 V51 A52T45-G48 PolarHBondContact O-N 2.81Å; A46-G48 PolarHBondContact O-N 3.33Å; G48-K50 VanDerWaalsContact C-N 3.26Å; G48-K50 PolarHBondContact O-N 3.28Å; G48-V51 WeakPolarHBondContact O-CB 3.13Å; G48-V51 PolarHBondContact O-N 3.23Å; G48-A52 PolarHBondContact O-N 3.32Å; G48-A52 VanDerWaalsContact O-N 3.16Å
49W83.1Confident85.1Confident7 Ų753.1 Ų53.13%0.02729%0.285CS..Hα-helixtrans-52.4-41.3172.9175.783.6000113.2A46 S47 V51 A52 N53 A56 V68 D214 A217 V218 F313A46-W49 VanDerWaalsContact O-CB 3.32Å; A46-W49 WeakPolarHBondContact O-CB 3.25Å; A46-W49 PolarHBondContact O-N 3.41Å; S47-W49 PolarHBondContact O-N 2.83Å; S47-W49 VanDerWaalsContact O-N 3.15Å; W49-V51 VanDerWaalsContact C-N 3.25Å; W49-V51 PolarHBondContact O-N 2.91Å; W49-A52 PolarHBondContact O-N 3.47Å; W49-A52 VanDerWaalsContact O-N 3.14Å; W49-N53 VanDerWaalsContact CD1-ND2 3.32Å; W49-N53 HydrophobicContact CD2-CB 4.48Å; W49-N53 HydrophobicContact CZ2-CB 4.07Å; W49-N53 PolarHBondContact NE1-ND2 2.7Å; W49-N53 WeakPolarHBondContact O-CB 2.99Å; W49-N53 PolarHBondContact O-N 3.01Å; W49-N53 PolarHBondContact O-ND2 3.31Å; W49-A56 HydrophobicContact CH2-CB 3.68Å; W49-A56 HydrophobicContact CZ2-CB 4.12Å; W49-V68 HydrophobicContact CH2-CG2 4.46Å; W49-V68 HydrophobicContact CZ2-CG2 3.76Å; W49-D214 VanDerWaalsContact CD1-CG 3.43Å; W49-D214 PolarHBondContact NE1-OD1 3.47Å; W49-D214 PolarHBondContact NE1-OD2 2.89Å; W49-A217 HydrophobicContact CB-CB 3.45Å; W49-A217 VanDerWaalsContact CB-CB 3.45Å; W49-A217 HydrophobicContact CD2-CB 3.94Å; W49-A217 HydrophobicContact CE3-CB 4.39Å; W49-A217 HydrophobicContact CG-CB 3.5Å; W49-A217 VanDerWaalsContact CG-CB 3.5Å; W49-V218 HydrophobicContact CH2-CG2 3.62Å; W49-V218 HydrophobicContact CZ2-CG2 3.92Å; W49-V218 HydrophobicContact CZ3-CG2 3.96Å; W49-F313 HydrophobicContact CB-CD2 4.46Å; W49-F313 HydrophobicContact CB-CE2 4.07Å; W49-F313 HydrophobicContact CB-CZ 4.25Å
50K79.1Confident84.6Confident140 Ų14055.9 Ų55.961%0.60931%0.309SS*.Hα-helixtrans-65.9-31.7-179.5-172.7178.5178.9-176.90112S47 G48 N53S47-K50 WeakPolarHBondContact O-CB 3.43Å; S47-K50 PolarHBondContact O-N 3.02Å; G48-K50 VanDerWaalsContact C-N 3.26Å; G48-K50 PolarHBondContact O-N 3.28Å; K50-N53 CarbonylContact O-C 3.44Å
51V75.8Confident84.4Confident75 Ų7549.1 Ų49.146%0.45529%0.29SS..Hα-helixtrans-70.3-39175.6-1760000110.3F43 G48 W49F43-V51 HydrophobicContact CE1-CG1 4.45Å; G48-V51 WeakPolarHBondContact O-CB 3.13Å; G48-V51 PolarHBondContact O-N 3.23Å; W49-V51 VanDerWaalsContact C-N 3.25Å; W49-V51 PolarHBondContact O-N 2.91Å
52A76.7Confident84.5Confident14 Ų1450.1 Ų50.112%0.11629%0.293CS..Hα-helixtrans-71-29.7175.900000113G48 W49 P54 P317G48-A52 PolarHBondContact O-N 3.32Å; G48-A52 VanDerWaalsContact O-N 3.16Å; W49-A52 PolarHBondContact O-N 3.47Å; W49-A52 VanDerWaalsContact O-N 3.14Å; A52-P54 VanDerWaalsContact O-CD 3.26Å; A52-P54 WeakPolarHBondContact O-CD 3.5Å; A52-P317 HydrophobicContact CB-CG 4.26Å
53N84.4Confident84.8Confident12 Ų1248.7 Ų48.76%0.06429%0.286CS..  trans-120.562.4-175.2-69.1-65.8000113.6W49 K50 L55 A56W49-N53 VanDerWaalsContact CD1-ND2 3.32Å; W49-N53 HydrophobicContact CD2-CB 4.48Å; W49-N53 HydrophobicContact CZ2-CB 4.07Å; W49-N53 PolarHBondContact NE1-ND2 2.7Å; W49-N53 WeakPolarHBondContact O-CB 2.99Å; W49-N53 PolarHBondContact O-N 3.01Å; W49-N53 PolarHBondContact O-ND2 3.31Å; K50-N53 CarbonylContact O-C 3.44Å; N53-L55 PolarHBondContact O-N 2.64Å; N53-L55 VanDerWaalsContact O-N 3.11Å; N53-A56 HydrophobicContact CB-CB 4.22Å; N53-A56 PolarHBondContact O-N 3.28Å
54P88.9Confident85.4Confident85 Ų8544.3 Ų44.355%0.55227%0.267SS*.THydrogen-bonded Turntrans-68.9-12.5-17629.8-37.2000114.2A52 M100A52-P54 VanDerWaalsContact O-CD 3.26Å; A52-P54 WeakPolarHBondContact O-CD 3.5Å; P54-M100 HydrophobicContact CG-CE 3.73Å
55L93.4Very high85.7Confident14 Ų1444 Ų447%0.07327%0.266CS..THydrogen-bonded Turntrans-98.7-3.9-179.5-61-176.4000113.5N53 Y91 Y96 M100 C103 A104 T107N53-L55 PolarHBondContact O-N 2.64Å; N53-L55 VanDerWaalsContact O-N 3.11Å; L55-Y91 HydrophobicContact CD2-CD1 3.8Å; L55-Y91 HydrophobicContact CD2-CE1 3.91Å; L55-Y96 HydrophobicContact CD1-CD1 4.23Å; L55-Y96 HydrophobicContact CD1-CD2 4.23Å; L55-Y96 HydrophobicContact CD1-CE1 4.04Å; L55-Y96 HydrophobicContact CD1-CE2 4.07Å; L55-Y96 HydrophobicContact CD1-CG 4.31Å; L55-Y96 HydrophobicContact CD2-CE2 4.39Å; L55-M100 HydrophobicContact CB-CE 4.42Å; L55-M100 HydrophobicContact CD1-CE 3.59Å; L55-M100 HydrophobicContact CG-CE 3.68Å; L55-C103 HydrophobicContact CB-CB 4.1Å; L55-C103 HydrophobicContact CD1-CB 4.05Å; L55-A104 HydrophobicContact CD1-CB 3.69Å; L55-T107 WeakPolarHBondContact O-CG2 3.45Å; L55-T107 PolarHBondContact O-OG1 3.18Å
56A92.4Very high86.1Confident20 Ų2043.3 Ų43.317%0.16526%0.26CS..SBendtrans-68.6148.8176.100000110.8W49 N53 W67W49-A56 HydrophobicContact CH2-CB 3.68Å; W49-A56 HydrophobicContact CZ2-CB 4.12Å; N53-A56 HydrophobicContact CB-CB 4.22Å; N53-A56 PolarHBondContact O-N 3.28Å; A56-W67 HydrophobicContact CB-CD2 4.25Å; A56-W67 HydrophobicContact CB-CE3 3.85Å; A56-W67 HydrophobicContact CB-CH2 3.93Å; A56-W67 HydrophobicContact CB-CZ2 4.28Å; A56-W67 HydrophobicContact CB-CZ3 3.71Å
57P92.2Very high86.9Confident23 Ų2342.7 Ų42.715%0.14926%0.255CS..PPolyproline II helixtrans-54.4155.1168.6-23.833.5000111.6A64 W67 M110P57-A64 HydrophobicContact CB-CB 4.43Å; P57-W67 HydrophobicContact CG-CB 3.91Å; P57-W67 HydrophobicContact CG-CG 3.95Å; P57-M110 HydrophobicContact CG-CE 4.06Å
58A89.6Confident87.7Confident63 Ų6339.5 Ų39.552%0.52123%0.232SC..PPolyproline II helixtrans-55.3133.4173.800000109.8T60A58-T60 HydrophobicContact CB-CG2 4.29Å; A58-T60 PolarHBondContact O-N 3.08Å
59P86.2Confident88.8Confident21 Ų2139.5 Ų39.514%0.13623%0.232CC..THydrogen-bonded Turntrans-77.754.6-177.434.2-37.5000110.7V218 A221 R222P59-V218 HydrophobicContact CB-CB 4.44Å; P59-V218 HydrophobicContact CB-CG1 3.92Å; P59-V218 HydrophobicContact CB-CG2 4.43Å; P59-A221 HydrophobicContact CB-CB 3.92Å; P59-A221 HydrophobicContact CG-CB 3.69Å; P59-R222 WeakPolarHBondContact O-CG 3.43Å
60T83.3Confident89.6Confident116 Ų11639.2 Ų39.271%0.71223%0.231SC*.THydrogen-bonded Turntrans-116.8-5.3-177.456.60000112.3A58A58-T60 HydrophobicContact CB-CG2 4.29Å; A58-T60 PolarHBondContact O-N 3.08Å
61S85.3Confident90.5Very high45 Ų4532.5 Ų32.532%0.31520%0.202SC..SBendtrans-148.2169.717971.80000111.4Q63 A64S61-Q63 PolarHBondContact O-N 3.02Å; S61-Q63 VanDerWaalsContact O-N 3.1Å; S61-Q63 VanDerWaalsContact OG-CB 3.27Å; S61-Q63 WeakPolarHBondContact OG-CB 3.39Å; S61-Q63 PolarHBondContact OG-N 3.25Å; S61-A64 PolarHBondContact O-N 2.87Å
62D89.2Confident91.5Very high53 Ų5329 Ų2928%0.28318%0.18SC..Hα-helixtrans-65.2-9.7174.9-68.8-0.7000112.4A64 L65 N66 R167 R222D62-A64 VanDerWaalsContact C-N 3.28Å; D62-A64 PolarHBondContact O-N 3.05Å; D62-L65 HydrophobicContact CB-CD1 4.49Å; D62-L65 WeakPolarHBondContact O-CB 3.26Å; D62-L65 PolarHBondContact O-N 3.27Å; D62-L65 VanDerWaalsContact O-N 3.16Å; D62-N66 PolarHBondContact O-N 3.18Å; D62-R167 IonicContact OD1-CZ 3.76Å; D62-R167 IonicContact OD1-NH1 3.97Å; D62-R167 PolarHBondContact OD1-NH1 3.25Å; D62-R167 VanDerWaalsContact OD2-CD 3.25Å; D62-R167 WeakPolarHBondContact OD2-CD 3.47Å; D62-R167 IonicContact OD2-NH1 3.58Å; D62-R167 PolarHBondContact OD2-NH1 3.14Å; D62-R167 VanDerWaalsContact OD2-NH1 3.15Å; D62-R222 IonicContact OD1-CZ 3.82Å; D62-R222 IonicContact OD1-NH1 3.81Å; D62-R222 PolarHBondContact OD1-NH1 3.49Å; D62-R222 IonicContact OD1-NH2 3.35Å; D62-R222 PolarHBondContact OD1-NH2 3.21Å
63Q91.3Very high92.6Very high99 Ų9928.3 Ų28.346%0.46317%0.174SC..Hα-helixtrans-61.2-36.9172.3-168.2178.826.100112.2S61 N66 W67 M110S61-Q63 PolarHBondContact O-N 3.02Å; S61-Q63 VanDerWaalsContact O-N 3.1Å; S61-Q63 VanDerWaalsContact OG-CB 3.27Å; S61-Q63 WeakPolarHBondContact OG-CB 3.39Å; S61-Q63 PolarHBondContact OG-N 3.25Å; Q63-N66 PolarHBondContact O-N 3.47Å; Q63-W67 WeakPolarHBondContact O-CB 3.49Å; Q63-W67 PolarHBondContact O-N 3.41Å; Q63-M110 HydrophobicContact CG-CE 3.6Å
64A92.9Very high93.2Very high1 Ų127.7 Ų27.71%0.00817%0.171CC..Hα-helixtrans-66.3-39.6174.700000111.3P57 S61 D62 W67 V68 V218P57-A64 HydrophobicContact CB-CB 4.43Å; S61-A64 PolarHBondContact O-N 2.87Å; D62-A64 VanDerWaalsContact C-N 3.28Å; D62-A64 PolarHBondContact O-N 3.05Å; A64-W67 PolarHBondContact O-N 2.99Å; A64-V68 WeakPolarHBondContact O-CB 3.44Å; A64-V68 VanDerWaalsContact O-CG2 3.3Å; A64-V68 WeakPolarHBondContact O-CG2 3.16Å; A64-V68 PolarHBondContact O-N 3.02Å; A64-V218 HydrophobicContact CB-CG1 4Å; A64-V218 HydrophobicContact CB-CG2 4.4Å
65L94.5Very high93.6Very high0 Ų024.4 Ų24.40%015%0.149CC..Hα-helixtrans-64.9-41.3176.6-59.7178.9000112D62 V68 F69 R167 F215 V218 M219D62-L65 HydrophobicContact CB-CD1 4.49Å; D62-L65 WeakPolarHBondContact O-CB 3.26Å; D62-L65 PolarHBondContact O-N 3.27Å; D62-L65 VanDerWaalsContact O-N 3.16Å; L65-V68 PolarHBondContact O-N 2.81Å; L65-F69 PolarHBondContact O-N 3.39Å; L65-R167 HydrophobicContact CD1-CB 4.45Å; L65-F215 HydrophobicContact CD1-CD2 4.46Å; L65-F215 HydrophobicContact CD1-CE2 4.04Å; L65-F215 HydrophobicContact CD2-CD2 3.66Å; L65-F215 HydrophobicContact CD2-CE2 4.01Å; L65-V218 HydrophobicContact CD2-CB 3.69Å; L65-V218 HydrophobicContact CD2-CG1 3.4Å; L65-V218 HydrophobicContact CD2-CG2 4.4Å; L65-V218 HydrophobicContact CG-CG1 4.03Å; L65-M219 HydrophobicContact CD1-SD 4.22Å
66N95.6Very high93.7Very high39 Ų3923.8 Ų23.821%0.20915%0.146CC..Hα-helixtrans-68.9-36.6177.3-64.3-19.4000111.7D62 Q63 F69 V70D62-N66 PolarHBondContact O-N 3.18Å; Q63-N66 PolarHBondContact O-N 3.47Å; N66-F69 PolarHBondContact O-N 3.37Å; N66-V70 WeakPolarHBondContact O-CG2 3.45Å; N66-V70 PolarHBondContact O-N 3.47Å
67W97.3Very high93.7Very high1 Ų122.8 Ų22.80%0.00414%0.138CC..Hα-helixtrans-62.5-47172.3-176.698.9000111.4A56 P57 Q63 A64 F69 V70 V71 C103 I106 T107 M110 T117A56-W67 HydrophobicContact CB-CD2 4.25Å; A56-W67 HydrophobicContact CB-CE3 3.85Å; A56-W67 HydrophobicContact CB-CH2 3.93Å; A56-W67 HydrophobicContact CB-CZ2 4.28Å; A56-W67 HydrophobicContact CB-CZ3 3.71Å; P57-W67 HydrophobicContact CG-CB 3.91Å; P57-W67 HydrophobicContact CG-CG 3.95Å; Q63-W67 WeakPolarHBondContact O-CB 3.49Å; Q63-W67 PolarHBondContact O-N 3.41Å; A64-W67 PolarHBondContact O-N 2.99Å; W67-F69 VanDerWaalsContact C-N 3.33Å; W67-F69 PolarHBondContact O-N 2.92Å; W67-V70 PolarHBondContact O-N 3.38Å; W67-V71 HydrophobicContact CD2-CG2 3.79Å; W67-V71 HydrophobicContact CE3-CB 4.24Å; W67-V71 HydrophobicContact CE3-CG2 3.93Å; W67-V71 HydrophobicContact CH2-CB 4.2Å; W67-V71 HydrophobicContact CH2-CG1 4.06Å; W67-V71 HydrophobicContact CH2-CG2 3.75Å; W67-V71 HydrophobicContact CZ2-CG2 3.62Å; W67-V71 HydrophobicContact CZ3-CB 4.02Å; W67-V71 HydrophobicContact CZ3-CG1 4.14Å; W67-V71 HydrophobicContact CZ3-CG2 3.89Å; W67-V71 PolarHBondContact O-N 2.94Å; W67-C103 HydrophobicContact CH2-CB 4.06Å; W67-C103 HydrophobicContact CZ2-CB 3.81Å; W67-I106 HydrophobicContact CG-CG2 4.49Å; W67-T107 PolarHBondContact NE1-OG1 3.21Å; W67-M110 VanDerWaalsContact CD1-SD 3.58Å; W67-M110 HydrophobicContact CG-SD 4.49Å; W67-T117 HydrophobicContact CB-CG2 4.34Å
68V96.4Very high93.6Very high0 Ų022.4 Ų22.40%013%0.134CC..Hα-helixtrans-55.2-49.3176.4160.40000110.4W49 A64 L65 V70 V71 D72 L211 D214 V218W49-V68 HydrophobicContact CH2-CG2 4.46Å; W49-V68 HydrophobicContact CZ2-CG2 3.76Å; A64-V68 WeakPolarHBondContact O-CB 3.44Å; A64-V68 VanDerWaalsContact O-CG2 3.3Å; A64-V68 WeakPolarHBondContact O-CG2 3.16Å; A64-V68 PolarHBondContact O-N 3.02Å; L65-V68 PolarHBondContact O-N 2.81Å; V68-V70 PolarHBondContact O-N 3.29Å; V68-V71 PolarHBondContact O-N 3.33Å; V68-D72 WeakPolarHBondContact CG1-OD2 3.23Å; V68-D72 WeakPolarHBondContact O-CB 3.31Å; V68-D72 PolarHBondContact O-N 3.5Å; V68-L211 HydrophobicContact CG1-CD1 3.85Å; V68-D214 HydrophobicContact CG1-CB 3.55Å; V68-D214 HydrophobicContact CG2-CB 4.21Å; V68-V218 HydrophobicContact CG2-CG2 4.1Å
69F98.2Very high93.4Very high2 Ų220.1 Ų20.11%0.00911%0.112CC..Hα-helixtrans-55.4-49.2177.8-177.5-92.7000112.3L65 N66 W67 T73 F122 L159 F166 I188 L211L65-F69 PolarHBondContact O-N 3.39Å; N66-F69 PolarHBondContact O-N 3.37Å; W67-F69 VanDerWaalsContact C-N 3.33Å; W67-F69 PolarHBondContact O-N 2.92Å; F69-T73 WeakPolarHBondContact O-CB 3.41Å; F69-T73 PolarHBondContact O-N 3.47Å; F69-T73 PolarHBondContact O-OG1 3.04Å; F69-F122 AromaticContact CD1-CZ 3.98Å; F69-F122 HydrophobicContact CD1-CZ 3.98Å; F69-F122 HydrophobicContact CE1-CE2 4.03Å; F69-F122 AromaticContact CE1-CZ 3.83Å; F69-F122 HydrophobicContact CE1-CZ 3.83Å; F69-L159 HydrophobicContact CD1-CD1 3.78Å; F69-L159 HydrophobicContact CD2-CD1 4.27Å; F69-L159 HydrophobicContact CE1-CD1 3.49Å; F69-L159 VanDerWaalsContact CE1-CD1 3.49Å; F69-L159 HydrophobicContact CE1-CG 4.18Å; F69-L159 HydrophobicContact CE2-CD1 4Å; F69-L159 HydrophobicContact CE2-CD2 4.14Å; F69-L159 HydrophobicContact CE2-CG 4.23Å; F69-L159 HydrophobicContact CG-CD1 4.16Å; F69-L159 HydrophobicContact CZ-CD1 3.6Å; F69-L159 HydrophobicContact CZ-CD2 4.24Å; F69-L159 HydrophobicContact CZ-CG 3.83Å; F69-F166 HydrophobicContact CB-CB 4.11Å; F69-F166 HydrophobicContact CB-CD1 4.39Å; F69-F166 HydrophobicContact CB-CG 4.14Å; F69-F166 HydrophobicContact CD2-CB 4.02Å; F69-F166 HydrophobicContact CD2-CD1 4.45Å; F69-F166 AromaticContact CD2-CD2 3.38Å; F69-F166 HydrophobicContact CD2-CD2 3.38Å; F69-F166 AromaticContact CD2-CE2 3.95Å; F69-F166 HydrophobicContact CD2-CE2 3.95Å; F69-F166 AromaticContact CD2-CG 3.69Å; F69-F166 HydrophobicContact CD2-CG 3.69Å; F69-F166 AromaticContact CE2-CD2 3.86Å; F69-F166 HydrophobicContact CE2-CD2 3.86Å; F69-F166 HydrophobicContact CE2-CE2 4.36Å; F69-F166 HydrophobicContact CG-CB 4.18Å; F69-F166 HydrophobicContact CG-CD2 4.33Å; F69-F166 HydrophobicContact CG-CG 4.23Å; F69-I188 HydrophobicContact CE2-CD1 4.08Å; F69-I188 HydrophobicContact CZ-CD1 4.21Å; F69-L211 HydrophobicContact CB-CD1 4.47Å; F69-L211 HydrophobicContact CD2-CD1 4.3Å; F69-L211 HydrophobicContact CD2-CD2 3.94Å; F69-L211 HydrophobicContact CE2-CD2 4.21Å
70V98.4Very high93Very high0 Ų020.2 Ų20.20%011%0.112CC..Hα-helixtrans-62.2-47.8-179.6171.10000111.6N66 W67 V68 M74 I106 I116 T117 F122 L152N66-V70 WeakPolarHBondContact O-CG2 3.45Å; N66-V70 PolarHBondContact O-N 3.47Å; W67-V70 PolarHBondContact O-N 3.38Å; V68-V70 PolarHBondContact O-N 3.29Å; V70-M74 HydrophobicContact CG1-CE 3.31Å; V70-M74 VanDerWaalsContact O-CE 3.26Å; V70-M74 WeakPolarHBondContact O-CE 3.26Å; V70-M74 PolarHBondContact O-N 3.15Å; V70-I106 HydrophobicContact CG1-CD1 3.85Å; V70-I106 HydrophobicContact CG1-CG1 4.14Å; V70-I106 HydrophobicContact CG1-CG2 4.15Å; V70-I116 HydrophobicContact CG1-CG1 4.46Å; V70-I116 WeakPolarHBondContact CG2-O 3.25Å; V70-T117 HydrophobicContact CG2-CG2 4.04Å; V70-F122 HydrophobicContact CG2-CD1 4.34Å; V70-F122 HydrophobicContact CG2-CE1 4.05Å; V70-L152 HydrophobicContact CB-CD1 4.36Å; V70-L152 HydrophobicContact CG1-CD1 4.3Å; V70-L152 HydrophobicContact CG1-CD2 4.18Å; V70-L152 HydrophobicContact CG2-CD1 4.17Å
71V98Very high92.7Very high0 Ų021.5 Ų21.50%012%0.115CC..Hα-helixtrans-66.8-47.6-177.1169.20000111W67 V68 T73 M74 N75 F99 L102 I106W67-V71 HydrophobicContact CD2-CG2 3.79Å; W67-V71 HydrophobicContact CE3-CB 4.24Å; W67-V71 HydrophobicContact CE3-CG2 3.93Å; W67-V71 HydrophobicContact CH2-CB 4.2Å; W67-V71 HydrophobicContact CH2-CG1 4.06Å; W67-V71 HydrophobicContact CH2-CG2 3.75Å; W67-V71 HydrophobicContact CZ2-CG2 3.62Å; W67-V71 HydrophobicContact CZ3-CB 4.02Å; W67-V71 HydrophobicContact CZ3-CG1 4.14Å; W67-V71 HydrophobicContact CZ3-CG2 3.89Å; W67-V71 PolarHBondContact O-N 2.94Å; V68-V71 PolarHBondContact O-N 3.33Å; V71-T73 VanDerWaalsContact C-N 3.33Å; V71-T73 PolarHBondContact O-N 3.34Å; V71-M74 CarbonylContact O-C 3.52Å; V71-M74 PolarHBondContact O-N 2.83Å; V71-N75 WeakPolarHBondContact O-CB 3.11Å; V71-N75 PolarHBondContact O-N 2.71Å; V71-F99 HydrophobicContact CG1-CE2 3.64Å; V71-F99 HydrophobicContact CG1-CZ 3.77Å; V71-L102 HydrophobicContact CG1-CD2 4.18Å; V71-L102 WeakPolarHBondContact O-CD2 3.47Å; V71-I106 HydrophobicContact CG2-CB 4.28Å; V71-I106 HydrophobicContact CG2-CG1 4.09Å; V71-I106 HydrophobicContact CG2-CG2 4.35Å
72D97.6Very high92.3Very high0 Ų023.1 Ų23.10%012%0.12CC..Hα-helixtrans-69.4-32.5-178.5-71.1-20.8000112.8V68 M74 N75 I210 L211V68-D72 WeakPolarHBondContact CG1-OD2 3.23Å; V68-D72 WeakPolarHBondContact O-CB 3.31Å; V68-D72 PolarHBondContact O-N 3.5Å; D72-M74 PolarHBondContact O-N 3.42Å; D72-N75 WeakPolarHBondContact O-CB 3.48Å; D72-N75 PolarHBondContact O-N 3.29Å; D72-I210 HydrophobicContact CB-CG2 4.4Å; D72-I210 VanDerWaalsContact CG-CG2 3.49Å; D72-I210 VanDerWaalsContact OD1-CG2 3.29Å; D72-I210 WeakPolarHBondContact OD1-CG2 3.45Å; D72-L211 HydrophobicContact CB-CB 4.21Å; D72-L211 HydrophobicContact CB-CD1 4.25Å; D72-L211 WeakPolarHBondContact OD2-CA 3.23Å
73T98.5Very high91.7Very high0 Ų027.8 Ų27.80%014%0.14CC..Hα-helixtrans-59.6-36.1170.8-58.60000110.7F69 V71 F76 V151 L152 Y191 R207F69-T73 WeakPolarHBondContact O-CB 3.41Å; F69-T73 PolarHBondContact O-N 3.47Å; F69-T73 PolarHBondContact O-OG1 3.04Å; V71-T73 VanDerWaalsContact C-N 3.33Å; V71-T73 PolarHBondContact O-N 3.34Å; T73-F76 WeakPolarHBondContact O-CE1 3.25Å; T73-V151 HydrophobicContact CG2-CB 4.1Å; T73-V151 HydrophobicContact CG2-CG2 3.81Å; T73-V151 WeakPolarHBondContact O-CG2 3.39Å; T73-L152 HydrophobicContact CG2-CB 4.43Å; T73-L152 HydrophobicContact CG2-CD1 4.09Å; T73-Y191 WeakPolarHBondContact CA-OH 3.28Å; T73-Y191 HydrophobicContact CG2-CE2 4.42Å; T73-Y191 PolarHBondContact N-OH 2.88Å; T73-Y191 PolarHBondContact OG1-OH 3.36Å; T73-R207 PolarHBondContact O-NH1 3.13Å
74M98.2Very high91.2Very high0 Ų027.4 Ų27.40%015%0.154CC..THydrogen-bonded Turntrans-97.37.9-179.9-69.1-176.7-75.600114.4V70 V71 D72 F76 L102 I106 L130 L134 R148 L152V70-M74 HydrophobicContact CG1-CE 3.31Å; V70-M74 VanDerWaalsContact O-CE 3.26Å; V70-M74 WeakPolarHBondContact O-CE 3.26Å; V70-M74 PolarHBondContact O-N 3.15Å; V71-M74 CarbonylContact O-C 3.52Å; V71-M74 PolarHBondContact O-N 2.83Å; D72-M74 PolarHBondContact O-N 3.42Å; M74-F76 VanDerWaalsContact C-N 3.34Å; M74-F76 PolarHBondContact O-N 3.26Å; M74-L102 HydrophobicContact CB-CD1 4.16Å; M74-L102 HydrophobicContact CB-CD2 3.71Å; M74-L102 HydrophobicContact CE-CD1 4.02Å; M74-L102 HydrophobicContact SD-CD1 4.31Å; M74-I106 HydrophobicContact CE-CD1 3.78Å; M74-I106 HydrophobicContact CE-CG1 4.39Å; M74-L130 HydrophobicContact SD-CD1 4.33Å; M74-L130 HydrophobicContact SD-CD2 4.41Å; M74-L134 HydrophobicContact SD-CD1 4.26Å; M74-R148 HydrophobicContact CB-CG 4.09Å; M74-R148 HydrophobicContact CG-CB 3.89Å; M74-R148 HydrophobicContact CG-CG 3.95Å; M74-R148 PolarHBondContact O-NH1 3.01Å; M74-R148 HydrophobicContact SD-CB 3.85Å; M74-R148 HydrophobicContact SD-CG 4.26Å; M74-L152 HydrophobicContact CE-CD2 3.79Å; M74-L152 HydrophobicContact SD-CD2 4.14Å
75N96.3Very high90.9Very high16 Ų1632.4 Ų32.49%0.08618%0.177CC..  trans-80.770.5-172.2-171.2-7.5000113.4V71 D72 F78 F99 K206V71-N75 WeakPolarHBondContact O-CB 3.11Å; V71-N75 PolarHBondContact O-N 2.71Å; D72-N75 WeakPolarHBondContact O-CB 3.48Å; D72-N75 PolarHBondContact O-N 3.29Å; N75-F78 WeakPolarHBondContact OD1-CE2 3.34Å; N75-F99 HydrophobicContact CB-CE2 4.29Å; N75-F99 WeakPolarHBondContact ND2-CE2 3.49Å; N75-K206 PolarHBondContact O-NZ 2.92Å; N75-K206 PolarHBondContact OD1-NZ 2.94Å
76F96.3Very high90.8Very high0 Ų035.8 Ų35.80%019%0.193CC..SBendtrans-154.6148.6177.156-89000113T73 M74 M144 E147 R148 V151 R207 C336 I337 Y339T73-F76 WeakPolarHBondContact O-CE1 3.25Å; M74-F76 VanDerWaalsContact C-N 3.34Å; M74-F76 PolarHBondContact O-N 3.26Å; F76-M144 HydrophobicContact CD2-CE 4.44Å; F76-M144 HydrophobicContact CD2-SD 4.22Å; F76-M144 HydrophobicContact CE2-CB 4.24Å; F76-M144 HydrophobicContact CE2-CE 4.13Å; F76-M144 HydrophobicContact CE2-SD 4.26Å; F76-E147 HydrophobicContact CE2-CB 4.16Å; F76-E147 HydrophobicContact CZ-CB 4.28Å; F76-R148 HydrophobicContact CE1-CG 4.32Å; F76-R148 HydrophobicContact CE2-CG 4.27Å; F76-R148 HydrophobicContact CZ-CG 3.76Å; F76-R148 VanDerWaalsContact CZ-NH1 3.31Å; F76-R148 VanDerWaalsContact O-CZ 3.22Å; F76-R148 PolarHBondContact O-NH1 2.96Å; F76-R148 PolarHBondContact O-NH2 2.85Å; F76-V151 HydrophobicContact CE1-CG2 3.84Å; F76-V151 HydrophobicContact CZ-CG2 4.07Å; F76-R207 VanDerWaalsContact CD1-NH1 3.33Å; F76-C336 WeakPolarHBondContact CD2-O 3.37Å; F76-I337 WeakPolarHBondContact CB-O 3.4Å; F76-I337 VanDerWaalsContact CD1-O 3.24Å; F76-I337 WeakPolarHBondContact CD1-O 3.46Å; F76-I337 VanDerWaalsContact CD2-CA 3.5Å; F76-I337 HydrophobicContact CD2-CB 4.26Å; F76-I337 HydrophobicContact CD2-CG2 4.44Å; F76-I337 HydrophobicContact CE1-CB 4.46Å; F76-I337 HydrophobicContact CE2-CB 4.05Å; F76-I337 HydrophobicContact CE2-CG2 3.86Å; F76-I337 VanDerWaalsContact CG-O 3.26Å; F76-I337 WeakPolarHBondContact CG-O 3.24Å; F76-I337 HydrophobicContact CZ-CB 4.15Å; F76-I337 HydrophobicContact CZ-CG2 4.1Å; F76-Y339 CarbonylContact C-O 3.59Å; F76-Y339 VanDerWaalsContact CA-C 3.43Å; F76-Y339 WeakPolarHBondContact CA-O 3.35Å; F76-Y339 WeakPolarHBondContact CB-O 3.37Å
77C92.8Very high90.7Very high0 Ų034.5 Ų34.50%019%0.186CC..  trans52.262.7169.3-73.70000116.3P143 M144 T334 C336 Y339C77-P143 WeakPolarHBondContact O-CB 3.24Å; C77-M144 HydrophobicContact CB-SD 3.4Å; C77-M144 WeakPolarHBondContact CB-SD 3.46Å; C77-T334 PolarHBondContact SG-O 3.38Å; C77-C336 PolarHBondContact SG-N 2.86Å; C77-C336 PolarHBondContact SG-O 3.48Å; C77-Y339 PolarHBondContact N-O 3.23Å; C77-Y339 PolarHBondContact SG-O 3.15Å
78F90.9Very high90.7Very high14 Ų1438 Ų386%0.06120%0.203CC..  trans-90.3-7.1175.5-61.3-74.3000114.9N75 F99 L102 M142 R148N75-F78 WeakPolarHBondContact OD1-CE2 3.34Å; F78-F99 HydrophobicContact CD2-CB 3.98Å; F78-F99 HydrophobicContact CD2-CD2 4.44Å; F78-F99 HydrophobicContact CE2-CB 4.05Å; F78-F99 AromaticContact CE2-CD2 3.67Å; F78-F99 HydrophobicContact CE2-CD2 3.67Å; F78-F99 HydrophobicContact CE2-CG 4.36Å; F78-F99 HydrophobicContact CG-CB 4.43Å; F78-F99 AromaticContact CZ-CD2 3.84Å; F78-F99 HydrophobicContact CZ-CD2 3.84Å; F78-L102 HydrophobicContact CE1-CB 3.66Å; F78-L102 HydrophobicContact CE1-CD2 3.91Å; F78-L102 HydrophobicContact CE1-CG 4.38Å; F78-L102 HydrophobicContact CZ-CB 4.11Å; F78-L102 HydrophobicContact CZ-CD2 3.64Å; F78-M142 HydrophobicContact CD1-SD 4.33Å; F78-M142 HydrophobicContact CE1-SD 4.39Å; F78-R148 VanDerWaalsContact CE1-NH2 3.27Å
79W83.3Confident90.7Very high16 Ų1638 Ų386%0.06120%0.203CC..  trans-76.3138.7-178.356.3-91.8000110.2L266 I331 H333 R335W79-L266 HydrophobicContact CH2-CD2 3.6Å; W79-L266 HydrophobicContact CZ3-CD2 4.18Å; W79-I331 HydrophobicContact CB-CD1 4.48Å; W79-H333 AromaticContact CD2-CD2 3.42Å; W79-H333 VanDerWaalsContact CD2-CD2 3.42Å; W79-H333 AromaticContact CE2-CD2 3.87Å; W79-H333 HydrophobicContact CE3-CB 4.38Å; W79-H333 AromaticContact CE3-CD2 3.39Å; W79-H333 AromaticContact CE3-CG 3.98Å; W79-H333 AromaticContact CE3-NE2 3.96Å; W79-H333 AromaticContact CG-CD2 3.85Å; W79-H333 HydrophobicContact CH2-CB 3.72Å; W79-H333 HydrophobicContact CZ2-CB 3.84Å; W79-H333 HydrophobicContact CZ3-CB 4Å; W79-H333 AromaticContact CZ3-CD2 3.86Å; W79-H333 AromaticContact CZ3-CG 3.96Å; W79-R335 VanDerWaalsContact CE2-NH1 3.35Å; W79-R335 VanDerWaalsContact CE3-NH2 3.31Å; W79-R335 HydrophobicContact CH2-CG 3.65Å; W79-R335 VanDerWaalsContact CZ2-CD 3.43Å; W79-R335 HydrophobicContact CZ2-CG 3.64Å; W79-R335 VanDerWaalsContact CZ2-CZ 3.49Å; W79-R335 PolarHBondContact O-NH1 2.74Å; W79-R335 PolarHBondContact O-NH2 2.73Å
80P79.5Confident90.6Very high22 Ų2240.8 Ų40.814%0.14322%0.22CC..  trans-80.7161.2-179.537.4-40.6000111.8N82 Q85 Q86P80-N82 VanDerWaalsContact CB-O 3.22Å; P80-N82 WeakPolarHBondContact CB-O 3.47Å; P80-N82 WeakPolarHBondContact CG-O 3.23Å; P80-N82 PolarHBondContact O-N 3.33Å; P80-Q85 WeakPolarHBondContact CB-O 3.31Å; P80-Q86 HydrophobicContact CG-CG 3.92Å
81D75.6Confident90.5Very high143 Ų14341.6 Ų41.677%0.76522%0.223SC*.SBendtrans-66.1-26.2170.9-65.8-36.3000112R335D81-R335 IonicContact OD1-CZ 3.62Å; D81-R335 IonicContact OD1-NE 3.32Å; D81-R335 IonicContact OD1-NH2 3.73Å; D81-R335 PolarHBondContact OD1-NH2 3.05Å
82N78.1Confident90.3Very high79 Ų7949 Ų4942%0.42226%0.256SS..SBendtrans-130.6124.1174.7179.1-15.9000108.8P80 A84 Q85P80-N82 VanDerWaalsContact CB-O 3.22Å; P80-N82 WeakPolarHBondContact CB-O 3.47Å; P80-N82 WeakPolarHBondContact CG-O 3.23Å; P80-N82 PolarHBondContact O-N 3.33Å; N82-A84 PolarHBondContact O-N 3.11Å; N82-A84 WeakPolarHBondContact OD1-CB 3.46Å; N82-A84 PolarHBondContact OD1-N 2.63Å; N82-Q85 HydrophobicContact CB-CB 4.25Å; N82-Q85 HydrophobicContact CB-CG 4.27Å; N82-Q85 CarbonylContact O-C 3.48Å; N82-Q85 WeakPolarHBondContact O-CA 3.43Å; N82-Q85 PolarHBondContact O-N 3.2Å
83E76.3Confident90Very high151 Ų15152.7 Ų52.771%0.70629%0.294SS*.THydrogen-bonded Turntrans-57.2-25-178.8-68.3-163.5159.300113.9Q85E83-Q85 VanDerWaalsContact C-N 3.27Å; E83-Q85 PolarHBondContact O-N 2.85Å
84A80.7Confident89.9Confident91 Ų9154.5 Ų54.575%0.75231%0.308SS*.THydrogen-bonded Turntrans-76.8-10.6175.100000113.9N82N82-A84 PolarHBondContact O-N 3.11Å; N82-A84 WeakPolarHBondContact OD1-CB 3.46Å; N82-A84 PolarHBondContact OD1-N 2.63Å
85Q86.9Confident89.8Confident107 Ų10758.2 Ų58.250%0.533%0.331SS..SBendtrans-119.373.4-176-65.4-178-38.600109.4P80 N82 E83 T140P80-Q85 WeakPolarHBondContact CB-O 3.31Å; N82-Q85 HydrophobicContact CB-CB 4.25Å; N82-Q85 HydrophobicContact CB-CG 4.27Å; N82-Q85 CarbonylContact O-C 3.48Å; N82-Q85 WeakPolarHBondContact O-CA 3.43Å; N82-Q85 PolarHBondContact O-N 3.2Å; E83-Q85 VanDerWaalsContact C-N 3.27Å; E83-Q85 PolarHBondContact O-N 2.85Å; Q85-T140 HydrophobicContact CB-CG2 4.34Å; Q85-T140 WeakPolarHBondContact O-CG2 3.46Å
86Q91.4Very high89.7Confident71 Ų7159.9 Ų59.933%0.33234%0.337SS..  trans-93.3140.3177.4-67-173.6-1.300111.1P80 E88 T97 N138P80-Q86 HydrophobicContact CG-CG 3.92Å; Q86-E88 PolarHBondContact O-N 3.41Å; Q86-T97 HydrophobicContact CB-CG2 4.27Å; Q86-T97 VanDerWaalsContact OE1-CB 3.29Å; Q86-T97 PolarHBondContact OE1-OG1 3.05Å; Q86-N138 PolarHBondContact O-ND2 2.86Å; Q86-N138 PolarHBondContact O-OD1 3.48Å
87C94.4Very high89.6Confident11 Ų1162.7 Ų62.77%0.07435%0.354CS..  trans-68.2121168.2-175.60000109.5T101 S136 T140 M142C87-T101 HydrophobicContact CB-CG2 4.33Å; C87-T101 WeakPolarHBondContact O-CG2 3.45Å; C87-T101 PolarHBondContact O-OG1 3.48Å; C87-S136 VanDerWaalsContact SG-CB 3.55Å; C87-T140 HydrophobicContact CB-CG2 4.47Å; C87-T140 PolarHBondContact SG-O 2.94Å; C87-M142 VanDerWaalsContact SG-CA 3.58Å; C87-M142 PolarHBondContact SG-N 3Å; C87-M142 VanDerWaalsContact SG-N 3.41Å
88E96.1Very high89.6Confident74 Ų7463.8 Ų63.835%0.34637%0.365SS..  trans-112138.7-178-73.4172.5171.700111.2Q86 T95 Y96 T97 S136 D137 N138Q86-E88 PolarHBondContact O-N 3.41Å; E88-T95 HydrophobicContact CB-CG2 3.85Å; E88-T95 HydrophobicContact CG-CG2 3.95Å; E88-Y96 WeakPolarHBondContact CA-O 3.42Å; E88-T97 HydrophobicContact CG-CG2 3.85Å; E88-S136 PolarHBondContact N-OG 3.44Å; E88-S136 CarbonylContact O-C 3.54Å; E88-S136 VanDerWaalsContact O-CA 3.26Å; E88-S136 WeakPolarHBondContact O-CA 3.31Å; E88-S136 PolarHBondContact O-OG 3.42Å; E88-D137 PolarHBondContact O-N 3.24Å; E88-N138 WeakPolarHBondContact CB-ND2 3.22Å; E88-N138 VanDerWaalsContact CG-ND2 3.33Å; E88-N138 WeakPolarHBondContact CG-ND2 3.36Å; E88-N138 PolarHBondContact OE2-ND2 2.58Å
89V97.3Very high89.7Confident0 Ų064 Ų640%037%0.366CS..EExtended strand (participates in β ladder)trans-131.3120.4168.5169.90000108.8Y96 T101 A104 A105 D137V89-Y96 PolarHBondContact N-O 2.99Å; V89-Y96 VanDerWaalsContact N-O 3.11Å; V89-Y96 WeakPolarHBondContact O-CD2 3.23Å; V89-Y96 PolarHBondContact O-N 3.01Å; V89-T101 HydrophobicContact CB-CG2 3.87Å; V89-T101 HydrophobicContact CG2-CG2 3.42Å; V89-T101 VanDerWaalsContact CG2-CG2 3.42Å; V89-A104 HydrophobicContact CB-CB 4.1Å; V89-A104 HydrophobicContact CG1-CB 3.56Å; V89-A105 HydrophobicContact CG2-CB 4.32Å; V89-D137 WeakPolarHBondContact CA-OD2 3.33Å
90T96.3Very high90.3Very high61 Ų6163.5 Ų63.537%0.37436%0.364SS..EExtended strand (participates in β ladder)trans-88.7123.3172.5-58.50000109.8A94 T95 D137T90-A94 CarbonylContact C-O 3.55Å; T90-A94 VanDerWaalsContact CA-O 3.3Å; T90-A94 WeakPolarHBondContact CA-O 2.99Å; T90-T95 PolarHBondContact OG1-OG1 3.15Å; T90-D137 PolarHBondContact N-OD2 3.24Å
91Y95.4Very high91.1Very high18 Ų1862.5 Ų62.57%0.07136%0.358CS..EExtended strand (participates in β ladder)trans-140.1126.8178.9176.6-108.6000110.1L55 G93 A94 Y96 T107 R108 E111L55-Y91 HydrophobicContact CD2-CD1 3.8Å; L55-Y91 HydrophobicContact CD2-CE1 3.91Å; Y91-G93 VanDerWaalsContact C-N 3.25Å; Y91-G93 PolarHBondContact O-N 3.39Å; Y91-A94 PolarHBondContact N-O 2.85Å; Y91-A94 PolarHBondContact O-N 3.24Å; Y91-A94 VanDerWaalsContact O-N 3.14Å; Y91-Y96 HydrophobicContact CD1-CE2 4.5Å; Y91-T107 HydrophobicContact CE1-CG2 4.09Å; Y91-T107 HydrophobicContact CE2-CG2 4.46Å; Y91-T107 VanDerWaalsContact OH-CG2 3.24Å; Y91-T107 WeakPolarHBondContact OH-CG2 3.47Å; Y91-R108 HydrophobicContact CD2-CB 4.04Å; Y91-R108 HydrophobicContact CE2-CB 4.39Å; Y91-E111 VanDerWaalsContact CE2-OE2 3.24Å; Y91-E111 WeakPolarHBondContact CE2-OE2 3.37Å; Y91-E111 PolarHBondContact OH-OE1 2.9Å; Y91-E111 PolarHBondContact OH-OE2 3.47Å
92K93.4Very high92.1Very high155 Ų15555.7 Ų55.767%0.67432%0.322SS*.THydrogen-bonded Turntrans49.142.5-177.5-66-178176166.90113.9A94 E111K92-A94 VanDerWaalsContact C-N 3.34Å; K92-A94 PolarHBondContact O-N 3Å; K92-E111 VanDerWaalsContact CE-OE1 3.3Å; K92-E111 WeakPolarHBondContact CE-OE1 3.21Å; K92-E111 IonicContact NZ-OE1 2.68Å; K92-E111 PolarHBondContact NZ-OE1 3.45Å; K92-E111 IonicContact NZ-OE2 3.82Å
93G92.8Very high93.1Very high78 Ų7852 Ų5280%0.80430%0.301SS*.THydrogen-bonded Turntrans82.42.3175.500000115.6Y91Y91-G93 VanDerWaalsContact C-N 3.25Å; Y91-G93 PolarHBondContact O-N 3.39Å
94A95.9Very high94.1Very high37 Ų3744.8 Ų44.831%0.30627%0.268SS..EExtended strand (participates in β ladder)trans-116.2138.7173.900000110.8T90 Y91 K92 Y96T90-A94 CarbonylContact C-O 3.55Å; T90-A94 VanDerWaalsContact CA-O 3.3Å; T90-A94 WeakPolarHBondContact CA-O 2.99Å; Y91-A94 PolarHBondContact N-O 2.85Å; Y91-A94 PolarHBondContact O-N 3.24Å; Y91-A94 VanDerWaalsContact O-N 3.14Å; K92-A94 VanDerWaalsContact C-N 3.34Å; K92-A94 PolarHBondContact O-N 3Å; A94-Y96 HydrophobicContact CB-CE2 3.84Å; A94-Y96 WeakPolarHBondContact O-CD2 3.31Å; A94-Y96 WeakPolarHBondContact O-CE2 3.34Å
95T95.9Very high94.9Very high79 Ų7940.4 Ų40.449%0.48523%0.232SC..EExtended strand (participates in β ladder)trans-95.7130.1174.7-59.10000110.1E88 T90E88-T95 HydrophobicContact CB-CG2 3.85Å; E88-T95 HydrophobicContact CG-CG2 3.95Å; T90-T95 PolarHBondContact OG1-OG1 3.15Å
96Y95.3Very high95.5Very high51 Ų5135.3 Ų35.320%0.221%0.208CC..EExtended strand (participates in β ladder)trans-113.5143.7-177.2-61.3-83000111.2L55 E88 V89 Y91 A94 M100 T101 A104L55-Y96 HydrophobicContact CD1-CD1 4.23Å; L55-Y96 HydrophobicContact CD1-CD2 4.23Å; L55-Y96 HydrophobicContact CD1-CE1 4.04Å; L55-Y96 HydrophobicContact CD1-CE2 4.07Å; L55-Y96 HydrophobicContact CD1-CG 4.31Å; L55-Y96 HydrophobicContact CD2-CE2 4.39Å; E88-Y96 WeakPolarHBondContact CA-O 3.42Å; V89-Y96 PolarHBondContact N-O 2.99Å; V89-Y96 VanDerWaalsContact N-O 3.11Å; V89-Y96 WeakPolarHBondContact O-CD2 3.23Å; V89-Y96 PolarHBondContact O-N 3.01Å; Y91-Y96 HydrophobicContact CD1-CE2 4.5Å; A94-Y96 HydrophobicContact CB-CE2 3.84Å; A94-Y96 WeakPolarHBondContact O-CD2 3.31Å; A94-Y96 WeakPolarHBondContact O-CE2 3.34Å; Y96-M100 HydrophobicContact CD1-CB 3.75Å; Y96-M100 HydrophobicContact CD1-CE 4.24Å; Y96-M100 HydrophobicContact CD1-CG 4.36Å; Y96-M100 HydrophobicContact CE1-CE 4.26Å; Y96-M100 HydrophobicContact CG-CB 4.13Å; Y96-T101 PolarHBondContact O-OG1 3.17Å; Y96-A104 HydrophobicContact CD2-CB 3.73Å; Y96-A104 HydrophobicContact CE2-CB 4.42Å; Y96-A104 HydrophobicContact CG-CB 4.18Å
97T93.8Very high95.7Very high59 Ų5932.6 Ų32.636%0.36220%0.197SC..  trans-126.9166.4174.263.90000111.4Q86 E88 M100 T101Q86-T97 HydrophobicContact CB-CG2 4.27Å; Q86-T97 VanDerWaalsContact OE1-CB 3.29Å; Q86-T97 PolarHBondContact OE1-OG1 3.05Å; E88-T97 HydrophobicContact CG-CG2 3.85Å; T97-M100 PolarHBondContact O-N 2.85Å; T97-T101 WeakPolarHBondContact CA-OG1 2.9Å
98G92.4Very high95.9Very high22 Ų2233 Ų3323%0.22720%0.196CC..THydrogen-bonded Turntrans64.7-139.3178.200000112.6M100 T101G98-M100 PolarHBondContact O-N 3.41Å; G98-T101 PolarHBondContact N-OG1 3.18Å; G98-T101 VanDerWaalsContact O-CB 3.26Å; G98-T101 WeakPolarHBondContact O-CB 3.42Å; G98-T101 PolarHBondContact O-N 3.36Å; G98-T101 VanDerWaalsContact O-N 3.09Å; G98-T101 PolarHBondContact O-OG1 3.22Å
99F93.8Very high96Very high20 Ų2029.4 Ų29.49%0.08818%0.18CC..Hα-helixtrans-55.1-36.8176.6170.5-112.3000112.8V71 N75 F78 T101 L102 C103 W316V71-F99 HydrophobicContact CG1-CE2 3.64Å; V71-F99 HydrophobicContact CG1-CZ 3.77Å; N75-F99 HydrophobicContact CB-CE2 4.29Å; N75-F99 WeakPolarHBondContact ND2-CE2 3.49Å; F78-F99 HydrophobicContact CD2-CB 3.98Å; F78-F99 HydrophobicContact CD2-CD2 4.44Å; F78-F99 HydrophobicContact CE2-CB 4.05Å; F78-F99 AromaticContact CE2-CD2 3.67Å; F78-F99 HydrophobicContact CE2-CD2 3.67Å; F78-F99 HydrophobicContact CE2-CG 4.36Å; F78-F99 HydrophobicContact CG-CB 4.43Å; F78-F99 AromaticContact CZ-CD2 3.84Å; F78-F99 HydrophobicContact CZ-CD2 3.84Å; F99-T101 PolarHBondContact O-N 2.9Å; F99-L102 WeakPolarHBondContact O-CB 3.31Å; F99-L102 PolarHBondContact O-N 2.93Å; F99-L102 VanDerWaalsContact O-N 3.08Å; F99-C103 VanDerWaalsContact CE1-SG 3.5Å; F99-C103 WeakPolarHBondContact CZ-SG 3.44Å; F99-C103 PolarHBondContact O-N 3.01Å; F99-W316 HydrophobicContact CB-CH2 4.46Å; F99-W316 HydrophobicContact CB-CZ2 4.12Å; F99-W316 AromaticContact CD1-CH2 3.78Å; F99-W316 HydrophobicContact CD1-CH2 3.78Å; F99-W316 AromaticContact CD1-CZ2 3.98Å; F99-W316 HydrophobicContact CD1-CZ2 3.98Å; F99-W316 HydrophobicContact CG-CZ2 4.34Å
100M94.8Very high96Very high5 Ų531 Ų313%0.02519%0.187CC..Hα-helixtrans-67.1-21.8-178.5-65.7-55.9-6400113.2P54 L55 Y96 T97 G98 L102 C103 A104P54-M100 HydrophobicContact CG-CE 3.73Å; L55-M100 HydrophobicContact CB-CE 4.42Å; L55-M100 HydrophobicContact CD1-CE 3.59Å; L55-M100 HydrophobicContact CG-CE 3.68Å; Y96-M100 HydrophobicContact CD1-CB 3.75Å; Y96-M100 HydrophobicContact CD1-CE 4.24Å; Y96-M100 HydrophobicContact CD1-CG 4.36Å; Y96-M100 HydrophobicContact CE1-CE 4.26Å; Y96-M100 HydrophobicContact CG-CB 4.13Å; T97-M100 PolarHBondContact O-N 2.85Å; G98-M100 PolarHBondContact O-N 3.41Å; M100-L102 VanDerWaalsContact C-N 3.3Å; M100-C103 HydrophobicContact CE-CB 4.47Å; M100-C103 PolarHBondContact O-N 3.38Å; M100-A104 VanDerWaalsContact O-CB 3.29Å; M100-A104 WeakPolarHBondContact O-CB 3.46Å; M100-A104 PolarHBondContact O-N 3.41Å
101T96.1Very high96Very high1 Ų133.6 Ų33.61%0.00620%0.195CC..Hα-helixtrans-60.9-42.2172.5-52.60000110.8C87 V89 Y96 T97 G98 F99 A105 M142C87-T101 HydrophobicContact CB-CG2 4.33Å; C87-T101 WeakPolarHBondContact O-CG2 3.45Å; C87-T101 PolarHBondContact O-OG1 3.48Å; V89-T101 HydrophobicContact CB-CG2 3.87Å; V89-T101 HydrophobicContact CG2-CG2 3.42Å; V89-T101 VanDerWaalsContact CG2-CG2 3.42Å; Y96-T101 PolarHBondContact O-OG1 3.17Å; T97-T101 WeakPolarHBondContact CA-OG1 2.9Å; G98-T101 PolarHBondContact N-OG1 3.18Å; G98-T101 VanDerWaalsContact O-CB 3.26Å; G98-T101 WeakPolarHBondContact O-CB 3.42Å; G98-T101 PolarHBondContact O-N 3.36Å; G98-T101 VanDerWaalsContact O-N 3.09Å; G98-T101 PolarHBondContact O-OG1 3.22Å; F99-T101 PolarHBondContact O-N 2.9Å; T101-A105 VanDerWaalsContact O-CB 3.3Å; T101-A105 WeakPolarHBondContact O-CB 3.24Å; T101-A105 PolarHBondContact O-N 3.28Å; T101-M142 HydrophobicContact CG2-CE 3.58Å
102L97.6Very high96.1Very high0 Ų037.5 Ų37.50%021%0.214CC..Hα-helixtrans-64.3-49.8175.8175.664.8000110.7V71 M74 F78 F99 M100 A104 A105 I106 L134 M142V71-L102 HydrophobicContact CG1-CD2 4.18Å; V71-L102 WeakPolarHBondContact O-CD2 3.47Å; M74-L102 HydrophobicContact CB-CD1 4.16Å; M74-L102 HydrophobicContact CB-CD2 3.71Å; M74-L102 HydrophobicContact CE-CD1 4.02Å; M74-L102 HydrophobicContact SD-CD1 4.31Å; F78-L102 HydrophobicContact CE1-CB 3.66Å; F78-L102 HydrophobicContact CE1-CD2 3.91Å; F78-L102 HydrophobicContact CE1-CG 4.38Å; F78-L102 HydrophobicContact CZ-CB 4.11Å; F78-L102 HydrophobicContact CZ-CD2 3.64Å; F99-L102 WeakPolarHBondContact O-CB 3.31Å; F99-L102 PolarHBondContact O-N 2.93Å; F99-L102 VanDerWaalsContact O-N 3.08Å; M100-L102 VanDerWaalsContact C-N 3.3Å; L102-A104 VanDerWaalsContact C-N 3.3Å; L102-A104 PolarHBondContact O-N 3.22Å; L102-A105 PolarHBondContact O-N 3.47Å; L102-A105 VanDerWaalsContact O-N 3.16Å; L102-I106 HydrophobicContact CD1-CD1 4.24Å; L102-I106 HydrophobicContact CD1-CG1 3.94Å; L102-I106 HydrophobicContact CG-CG1 4.41Å; L102-I106 WeakPolarHBondContact O-CG1 3.18Å; L102-I106 PolarHBondContact O-N 3.35Å; L102-L134 HydrophobicContact CD1-CD2 3.67Å; L102-M142 HydrophobicContact CB-CE 4.48Å
103C97.6Very high96.2Very high0 Ų033.1 Ų33.10%021%0.213CC..Hα-helixtrans-56.6-45.6178.8-60.30000111.6L55 W67 F99 M100 T107L55-C103 HydrophobicContact CB-CB 4.1Å; L55-C103 HydrophobicContact CD1-CB 4.05Å; W67-C103 HydrophobicContact CH2-CB 4.06Å; W67-C103 HydrophobicContact CZ2-CB 3.81Å; F99-C103 VanDerWaalsContact CE1-SG 3.5Å; F99-C103 WeakPolarHBondContact CZ-SG 3.44Å; F99-C103 PolarHBondContact O-N 3.01Å; M100-C103 HydrophobicContact CE-CB 4.47Å; M100-C103 PolarHBondContact O-N 3.38Å; C103-T107 WeakPolarHBondContact O-CB 3.38Å; C103-T107 PolarHBondContact O-N 3.39Å; C103-T107 PolarHBondContact O-OG1 3.06Å
104A97.9Very high96.5Very high0 Ų031.1 Ų31.10%019%0.185CC..Hα-helixtrans-64.2-42.5177.400000112.2L55 V89 Y96 M100 L102 R108L55-A104 HydrophobicContact CD1-CB 3.69Å; V89-A104 HydrophobicContact CB-CB 4.1Å; V89-A104 HydrophobicContact CG1-CB 3.56Å; Y96-A104 HydrophobicContact CD2-CB 3.73Å; Y96-A104 HydrophobicContact CE2-CB 4.42Å; Y96-A104 HydrophobicContact CG-CB 4.18Å; M100-A104 VanDerWaalsContact O-CB 3.29Å; M100-A104 WeakPolarHBondContact O-CB 3.46Å; M100-A104 PolarHBondContact O-N 3.41Å; L102-A104 VanDerWaalsContact C-N 3.3Å; L102-A104 PolarHBondContact O-N 3.22Å; A104-R108 WeakPolarHBondContact O-CB 3.41Å; A104-R108 PolarHBondContact O-N 2.97Å
105A98.2Very high96.6Very high0 Ų032.2 Ų32.20%019%0.189CC..Hα-helixtrans-63.4-45.6178.800000112.7V89 T101 L102 R108 A109 L134V89-A105 HydrophobicContact CG2-CB 4.32Å; T101-A105 VanDerWaalsContact O-CB 3.3Å; T101-A105 WeakPolarHBondContact O-CB 3.24Å; T101-A105 PolarHBondContact O-N 3.28Å; L102-A105 PolarHBondContact O-N 3.47Å; L102-A105 VanDerWaalsContact O-N 3.16Å; A105-R108 PolarHBondContact O-N 3.46Å; A105-A109 WeakPolarHBondContact O-CB 3.49Å; A105-A109 PolarHBondContact O-N 3.02Å; A105-L134 HydrophobicContact CB-CD2 3.98Å
106I98.4Very high96.7Very high0 Ų028.5 Ų28.50%017%0.166CC..Hα-helixtrans-65.9-46179.2-61.1-52.9000110.8W67 V70 V71 M74 L102 R108 A109 M110 I116 T117 V133 L134W67-I106 HydrophobicContact CG-CG2 4.49Å; V70-I106 HydrophobicContact CG1-CD1 3.85Å; V70-I106 HydrophobicContact CG1-CG1 4.14Å; V70-I106 HydrophobicContact CG1-CG2 4.15Å; V71-I106 HydrophobicContact CG2-CB 4.28Å; V71-I106 HydrophobicContact CG2-CG1 4.09Å; V71-I106 HydrophobicContact CG2-CG2 4.35Å; M74-I106 HydrophobicContact CE-CD1 3.78Å; M74-I106 HydrophobicContact CE-CG1 4.39Å; L102-I106 HydrophobicContact CD1-CD1 4.24Å; L102-I106 HydrophobicContact CD1-CG1 3.94Å; L102-I106 HydrophobicContact CG-CG1 4.41Å; L102-I106 WeakPolarHBondContact O-CG1 3.18Å; L102-I106 PolarHBondContact O-N 3.35Å; I106-R108 PolarHBondContact O-N 3.07Å; I106-A109 PolarHBondContact O-N 2.8Å; I106-M110 HydrophobicContact CG2-SD 4.34Å; I106-M110 WeakPolarHBondContact O-CG 3.34Å; I106-M110 PolarHBondContact O-N 3.21Å; I106-I116 HydrophobicContact CD1-CG1 3.97Å; I106-I116 HydrophobicContact CG2-CG2 4.13Å; I106-T117 HydrophobicContact CG2-CG2 4.47Å; I106-V133 HydrophobicContact CD1-CG1 4.01Å; I106-L134 HydrophobicContact CD1-CD2 3.96Å
107T97.4Very high96.8Very high14 Ų1427 Ų279%0.08616%0.162CC..Hα-helixtrans-65.4-40.6179-570000111.5L55 W67 Y91 C103 M110 E111L55-T107 WeakPolarHBondContact O-CG2 3.45Å; L55-T107 PolarHBondContact O-OG1 3.18Å; W67-T107 PolarHBondContact NE1-OG1 3.21Å; Y91-T107 HydrophobicContact CE1-CG2 4.09Å; Y91-T107 HydrophobicContact CE2-CG2 4.46Å; Y91-T107 VanDerWaalsContact OH-CG2 3.24Å; Y91-T107 WeakPolarHBondContact OH-CG2 3.47Å; C103-T107 WeakPolarHBondContact O-CB 3.38Å; C103-T107 PolarHBondContact O-N 3.39Å; C103-T107 PolarHBondContact O-OG1 3.06Å; T107-M110 PolarHBondContact O-N 3.04Å; T107-E111 PolarHBondContact O-N 2.99Å; T107-E111 VanDerWaalsContact O-N 3.09Å
108R97.6Very high97Very high18 Ų1827.1 Ų27.17%0.06816%0.161CC..Hα-helixtrans-58.1-47.9172.4178.1179.164.3-172.8-1.7111.7Y91 A104 A105 I106 M110 E111 E112 R135 D137Y91-R108 HydrophobicContact CD2-CB 4.04Å; Y91-R108 HydrophobicContact CE2-CB 4.39Å; A104-R108 WeakPolarHBondContact O-CB 3.41Å; A104-R108 PolarHBondContact O-N 2.97Å; A105-R108 PolarHBondContact O-N 3.46Å; I106-R108 PolarHBondContact O-N 3.07Å; R108-M110 VanDerWaalsContact C-N 3.29Å; R108-M110 PolarHBondContact O-N 3.41Å; R108-E111 PolarHBondContact O-N 3.34Å; R108-E111 VanDerWaalsContact O-N 3.15Å; R108-E112 HydrophobicContact CG-CG 4.46Å; R108-E112 WeakPolarHBondContact CG-OE1 3.27Å; R108-E112 WeakPolarHBondContact O-CG 3.38Å; R108-E112 PolarHBondContact O-N 3.4Å; R108-R135 PolarHBondContact NH2-O 3.31Å; R108-D137 IonicContact NH1-OD1 2.86Å; R108-D137 PolarHBondContact NH1-OD1 3.4Å; R108-D137 IonicContact NH1-OD2 2.73Å; R108-D137 PolarHBondContact NH1-OD2 2.99Å
109A98.1Very high97.2Very high0 Ų026.3 Ų26.30%015%0.152CC..Hα-helixtrans-61.9-37.2-179.700000112.5A105 I106 E112 G113 V114 I116 V133A105-A109 WeakPolarHBondContact O-CB 3.49Å; A105-A109 PolarHBondContact O-N 3.02Å; I106-A109 PolarHBondContact O-N 2.8Å; A109-E112 PolarHBondContact O-N 2.55Å; A109-G113 PolarHBondContact O-N 2.91Å; A109-V114 HydrophobicContact CB-CB 4.18Å; A109-V114 HydrophobicContact CB-CG2 4.41Å; A109-V114 VanDerWaalsContact O-CB 3.3Å; A109-V114 WeakPolarHBondContact O-CB 3.36Å; A109-V114 PolarHBondContact O-N 3.48Å; A109-I116 HydrophobicContact CB-CG2 4.08Å; A109-V133 HydrophobicContact CB-CB 4.45Å; A109-V133 HydrophobicContact CB-CG1 3.82Å; A109-V133 HydrophobicContact CB-CG2 4.26Å
110M97.3Very high97.5Very high32 Ų3232 Ų3216%0.15818%0.176CC..Hα-helixtrans-64.9-41.6173.6-69.9173.761.600112.6P57 Q63 W67 I106 T107 R108 E112 G113 I116 T117P57-M110 HydrophobicContact CG-CE 4.06Å; Q63-M110 HydrophobicContact CG-CE 3.6Å; W67-M110 VanDerWaalsContact CD1-SD 3.58Å; W67-M110 HydrophobicContact CG-SD 4.49Å; I106-M110 HydrophobicContact CG2-SD 4.34Å; I106-M110 WeakPolarHBondContact O-CG 3.34Å; I106-M110 PolarHBondContact O-N 3.21Å; T107-M110 PolarHBondContact O-N 3.04Å; R108-M110 VanDerWaalsContact C-N 3.29Å; R108-M110 PolarHBondContact O-N 3.41Å; M110-E112 VanDerWaalsContact C-N 3.29Å; M110-E112 PolarHBondContact O-N 3.5Å; M110-G113 PolarHBondContact O-N 2.67Å; M110-G113 VanDerWaalsContact O-N 3.11Å; M110-I116 HydrophobicContact CG-CG2 3.69Å; M110-T117 HydrophobicContact CE-CG2 4.32Å; M110-T117 HydrophobicContact CG-CG2 4.26Å; M110-T117 HydrophobicContact SD-CG2 3.56Å; M110-T117 VanDerWaalsContact SD-CG2 3.56Å
111E96.1Very high97.6Very high116 Ų11634.4 Ų34.454%0.54219%0.186SC..Hα-helixtrans-66.7-30.9175-69.6-167.8159.400112.3Y91 K92 T107 R108 G113Y91-E111 VanDerWaalsContact CE2-OE2 3.24Å; Y91-E111 WeakPolarHBondContact CE2-OE2 3.37Å; Y91-E111 PolarHBondContact OH-OE1 2.9Å; Y91-E111 PolarHBondContact OH-OE2 3.47Å; K92-E111 VanDerWaalsContact CE-OE1 3.3Å; K92-E111 WeakPolarHBondContact CE-OE1 3.21Å; K92-E111 IonicContact NZ-OE1 2.68Å; K92-E111 PolarHBondContact NZ-OE1 3.45Å; K92-E111 IonicContact NZ-OE2 3.82Å; T107-E111 PolarHBondContact O-N 2.99Å; T107-E111 VanDerWaalsContact O-N 3.09Å; R108-E111 PolarHBondContact O-N 3.34Å; R108-E111 VanDerWaalsContact O-N 3.15Å; E111-G113 PolarHBondContact O-N 3.01Å
112E96.9Very high97.7Very high100 Ų10034.4 Ų34.447%0.46719%0.185SC..THydrogen-bonded Turntrans-74.1-1.5172.5-70.8172.7-179.300113.3R108 A109 M110 R135R108-E112 HydrophobicContact CG-CG 4.46Å; R108-E112 WeakPolarHBondContact CG-OE1 3.27Å; R108-E112 WeakPolarHBondContact O-CG 3.38Å; R108-E112 PolarHBondContact O-N 3.4Å; A109-E112 PolarHBondContact O-N 2.55Å; M110-E112 VanDerWaalsContact C-N 3.29Å; M110-E112 PolarHBondContact O-N 3.5Å; E112-R135 IonicContact OE1-CZ 2.71Å; E112-R135 IonicContact OE1-NH1 2.92Å; E112-R135 IonicContact OE1-NH2 3.29Å; E112-R135 PolarHBondContact OE1-NH2 2.96Å; E112-R135 IonicContact OE2-CZ 3.69Å; E112-R135 IonicContact OE2-NH1 3.6Å; E112-R135 PolarHBondContact OE2-NH1 3.03Å; E112-R135 IonicContact OE2-NH2 3.57Å; E112-R135 PolarHBondContact OE2-NH2 2.74Å
113G97.4Very high97.7Very high63 Ų6334.7 Ų34.765%0.64919%0.188SC*.THydrogen-bonded Turntrans81.111.117900000114.5A109 M110 E111A109-G113 PolarHBondContact O-N 2.91Å; M110-G113 PolarHBondContact O-N 2.67Å; M110-G113 VanDerWaalsContact O-N 3.11Å; E111-G113 PolarHBondContact O-N 3.01Å
114V98.1Very high97.8Very high37 Ų3742.9 Ų42.922%0.22422%0.223CC..  trans-73.5125.5172-174.50000108.5A109 I116 Y121 V133A109-V114 HydrophobicContact CB-CB 4.18Å; A109-V114 HydrophobicContact CB-CG2 4.41Å; A109-V114 VanDerWaalsContact O-CB 3.3Å; A109-V114 WeakPolarHBondContact O-CB 3.36Å; A109-V114 PolarHBondContact O-N 3.48Å; V114-I116 HydrophobicContact CG1-CB 4.18Å; V114-I116 PolarHBondContact O-N 2.99Å; V114-Y121 HydrophobicContact CG1-CE1 3.84Å; V114-V133 HydrophobicContact CG1-CG2 4.04Å
115P97.5Very high97.8Very high60 Ų6043.2 Ų43.239%0.3923%0.225SC..  trans-78.248.317933.5-35.1000111.6T117 D118 Y121P115-T117 PolarHBondContact O-N 2.7Å; P115-T117 VanDerWaalsContact O-N 3.08Å; P115-D118 HydrophobicContact CB-CB 4.17Å; P115-D118 WeakPolarHBondContact O-CB 3.45Å; P115-D118 PolarHBondContact O-N 3.38Å; P115-Y121 HydrophobicContact CB-CG 4.48Å; P115-Y121 HydrophobicContact CG-CD1 4.34Å; P115-Y121 HydrophobicContact CG-CD2 3.67Å; P115-Y121 HydrophobicContact CG-CE2 4.21Å; P115-Y121 HydrophobicContact CG-CG 3.74Å; P115-Y121 WeakPolarHBondContact O-CB 3.44Å; P115-Y121 WeakPolarHBondContact O-CD1 3.5Å
116I98Very high97.8Very high0 Ų045.1 Ų45.10%024%0.238CC..THydrogen-bonded Turntrans-62.6-19.2-174.1-172.657.9000113.3V70 I106 A109 M110 V114 Y121 F122 M125 L130 V133 L152V70-I116 HydrophobicContact CG1-CG1 4.46Å; V70-I116 WeakPolarHBondContact CG2-O 3.25Å; I106-I116 HydrophobicContact CD1-CG1 3.97Å; I106-I116 HydrophobicContact CG2-CG2 4.13Å; A109-I116 HydrophobicContact CB-CG2 4.08Å; M110-I116 HydrophobicContact CG-CG2 3.69Å; V114-I116 HydrophobicContact CG1-CB 4.18Å; V114-I116 PolarHBondContact O-N 2.99Å; I116-Y121 HydrophobicContact CD1-CE1 4.21Å; I116-F122 VanDerWaalsContact O-CD1 3.27Å; I116-F122 WeakPolarHBondContact O-CD1 2.8Å; I116-M125 HydrophobicContact CD1-SD 4.04Å; I116-L130 HydrophobicContact CD1-CD1 4.32Å; I116-V133 HydrophobicContact CD1-CG1 4.04Å; I116-V133 HydrophobicContact CD1-CG2 4.23Å; I116-V133 HydrophobicContact CG1-CG1 3.9Å; I116-L152 HydrophobicContact CD1-CD2 4.44Å
117T97.5Very high97.8Very high19 Ų1946.9 Ų46.912%0.11725%0.249CC..THydrogen-bonded Turntrans-97.43.7176.357.70000114.3W67 V70 I106 M110 P115W67-T117 HydrophobicContact CB-CG2 4.34Å; V70-T117 HydrophobicContact CG2-CG2 4.04Å; I106-T117 HydrophobicContact CG2-CG2 4.47Å; M110-T117 HydrophobicContact CE-CG2 4.32Å; M110-T117 HydrophobicContact CG-CG2 4.26Å; M110-T117 HydrophobicContact SD-CG2 3.56Å; M110-T117 VanDerWaalsContact SD-CG2 3.56Å; P115-T117 PolarHBondContact O-N 2.7Å; P115-T117 VanDerWaalsContact O-N 3.08Å
118D98Very high97.8Very high63 Ų6352.2 Ų52.234%0.33727%0.273SS..  trans-90.8118.5173.5-176.9-11.2000110.8P115 K120 Y121 F122P115-D118 HydrophobicContact CB-CB 4.17Å; P115-D118 WeakPolarHBondContact O-CB 3.45Å; P115-D118 PolarHBondContact O-N 3.38Å; D118-K120 PolarHBondContact O-N 2.89Å; D118-K120 VanDerWaalsContact O-N 3.1Å; D118-K120 WeakPolarHBondContact OD1-CB 3.39Å; D118-K120 PolarHBondContact OD1-N 3.02Å; D118-Y121 WeakPolarHBondContact O-CA 3.4Å; D118-Y121 WeakPolarHBondContact O-CB 3.28Å; D118-Y121 PolarHBondContact O-N 3.42Å; D118-F122 WeakPolarHBondContact O-CD1 3.43Å; D118-F122 PolarHBondContact O-N 3.07Å; D118-F122 VanDerWaalsContact O-N 3.09Å
119P98.1Very high97.9Very high5 Ų555 Ų553%0.03229%0.286CS..Hα-helixtrans-54.5-30176.4-26.836.3000114.4Y121 F122 S123 L159 L160P119-Y121 VanDerWaalsContact C-N 3.27Å; P119-Y121 PolarHBondContact O-N 3.49Å; P119-F122 VanDerWaalsContact CA-CZ 3.45Å; P119-F122 HydrophobicContact CB-CE1 4.11Å; P119-F122 HydrophobicContact CB-CE2 4.33Å; P119-F122 HydrophobicContact CB-CZ 3.82Å; P119-F122 HydrophobicContact CG-CE1 3.88Å; P119-F122 HydrophobicContact CG-CZ 3.75Å; P119-S123 WeakPolarHBondContact O-CB 3.38Å; P119-S123 PolarHBondContact O-N 2.84Å; P119-S123 VanDerWaalsContact O-N 3.12Å; P119-S123 PolarHBondContact O-OG 2.79Å; P119-L159 HydrophobicContact CB-CB 4.08Å; P119-L159 HydrophobicContact CB-CD1 4.35Å; P119-L159 HydrophobicContact CG-CB 4.16Å; P119-L159 HydrophobicContact CG-CD1 3.75Å; P119-L160 HydrophobicContact CB-CD2 4.18Å; P119-L160 HydrophobicContact CB-CG 4.25Å
120K98.1Very high97.9Very high138 Ų13855 Ų5560%0.629%0.286SS*.Hα-helixtrans-65.6-31.9175.6-65.7176.7-177.9171.70112.5D118 S123 L160D118-K120 PolarHBondContact O-N 2.89Å; D118-K120 VanDerWaalsContact O-N 3.1Å; D118-K120 WeakPolarHBondContact OD1-CB 3.39Å; D118-K120 PolarHBondContact OD1-N 3.02Å; K120-S123 PolarHBondContact O-OG 2.71Å; K120-L160 HydrophobicContact CG-CD2 3.63Å
121Y98.4Very high98Very high56 Ų5654.8 Ų54.822%0.2229%0.293CS..Hα-helixtrans-79.7-59.7177.7177.9-100.2000110.6V114 P115 I116 D118 P119 S123 K124 M125V114-Y121 HydrophobicContact CG1-CE1 3.84Å; P115-Y121 HydrophobicContact CB-CG 4.48Å; P115-Y121 HydrophobicContact CG-CD1 4.34Å; P115-Y121 HydrophobicContact CG-CD2 3.67Å; P115-Y121 HydrophobicContact CG-CE2 4.21Å; P115-Y121 HydrophobicContact CG-CG 3.74Å; P115-Y121 WeakPolarHBondContact O-CB 3.44Å; P115-Y121 WeakPolarHBondContact O-CD1 3.5Å; I116-Y121 HydrophobicContact CD1-CE1 4.21Å; D118-Y121 WeakPolarHBondContact O-CA 3.4Å; D118-Y121 WeakPolarHBondContact O-CB 3.28Å; D118-Y121 PolarHBondContact O-N 3.42Å; P119-Y121 VanDerWaalsContact C-N 3.27Å; P119-Y121 PolarHBondContact O-N 3.49Å; Y121-S123 VanDerWaalsContact C-N 3.26Å; Y121-S123 PolarHBondContact O-N 2.98Å; Y121-K124 PolarHBondContact O-N 3.47Å; Y121-M125 HydrophobicContact CE1-CB 4.23Å; Y121-M125 HydrophobicContact CE1-SD 4.32Å; Y121-M125 PolarHBondContact O-N 3.49Å
122F98Very high98.1Very high1 Ų156 Ų560%0.00430%0.296CS..Hα-helixtrans-73.3-13.8-171.264.7-111.6000114.6F69 V70 I116 D118 P119 K124 M125 L152 T153 L159F69-F122 AromaticContact CD1-CZ 3.98Å; F69-F122 HydrophobicContact CD1-CZ 3.98Å; F69-F122 HydrophobicContact CE1-CE2 4.03Å; F69-F122 AromaticContact CE1-CZ 3.83Å; F69-F122 HydrophobicContact CE1-CZ 3.83Å; V70-F122 HydrophobicContact CG2-CD1 4.34Å; V70-F122 HydrophobicContact CG2-CE1 4.05Å; I116-F122 VanDerWaalsContact O-CD1 3.27Å; I116-F122 WeakPolarHBondContact O-CD1 2.8Å; D118-F122 WeakPolarHBondContact O-CD1 3.43Å; D118-F122 PolarHBondContact O-N 3.07Å; D118-F122 VanDerWaalsContact O-N 3.09Å; P119-F122 VanDerWaalsContact CA-CZ 3.45Å; P119-F122 HydrophobicContact CB-CE1 4.11Å; P119-F122 HydrophobicContact CB-CE2 4.33Å; P119-F122 HydrophobicContact CB-CZ 3.82Å; P119-F122 HydrophobicContact CG-CE1 3.88Å; P119-F122 HydrophobicContact CG-CZ 3.75Å; F122-K124 VanDerWaalsContact C-N 3.26Å; F122-K124 PolarHBondContact O-N 3.05Å; F122-M125 HydrophobicContact CB-CE 4.16Å; F122-M125 HydrophobicContact CB-SD 3.95Å; F122-L152 HydrophobicContact CB-CD2 3.88Å; F122-L152 HydrophobicContact CB-CG 4.02Å; F122-L152 HydrophobicContact CD2-CD1 3.97Å; F122-L152 HydrophobicContact CD2-CD2 4.41Å; F122-L152 HydrophobicContact CD2-CG 3.68Å; F122-L152 VanDerWaalsContact CD2-O 3.23Å; F122-L152 WeakPolarHBondContact CD2-O 3.48Å; F122-L152 HydrophobicContact CE2-CD1 3.99Å; F122-L152 HydrophobicContact CE2-CG 4.2Å; F122-L152 WeakPolarHBondContact CE2-O 3.3Å; F122-L152 HydrophobicContact CG-CD1 4.35Å; F122-L152 HydrophobicContact CG-CD2 4.19Å; F122-L152 HydrophobicContact CG-CG 3.96Å; F122-L152 HydrophobicContact CZ-CD1 4.45Å; F122-T153 WeakPolarHBondContact O-CA 3.48Å; F122-T153 PolarHBondContact O-OG1 2.88Å; F122-L159 HydrophobicContact CZ-CD1 4.18Å
123S97.9Very high98.1Very high7 Ų751.5 Ų51.55%0.04928%0.276CS..THydrogen-bonded Turntrans-74.4-12.7168.860.90000114.4P119 K120 Y121 T153 L160P119-S123 WeakPolarHBondContact O-CB 3.38Å; P119-S123 PolarHBondContact O-N 2.84Å; P119-S123 VanDerWaalsContact O-N 3.12Å; P119-S123 PolarHBondContact O-OG 2.79Å; K120-S123 PolarHBondContact O-OG 2.71Å; Y121-S123 VanDerWaalsContact C-N 3.26Å; Y121-S123 PolarHBondContact O-N 2.98Å; S123-T153 WeakPolarHBondContact O-CG2 3.42Å; S123-L160 WeakPolarHBondContact OG-CD1 3.42Å
124K97.9Very high98.2Very high172 Ų17248.6 Ų48.675%0.74825%0.245SC*.THydrogen-bonded Turntrans-126.8-14.5-175.5-64.5-179.2-175.9178.60114Y121 F122Y121-K124 PolarHBondContact O-N 3.47Å; F122-K124 VanDerWaalsContact C-N 3.26Å; F122-K124 PolarHBondContact O-N 3.05Å
125M98.4Very high98.1Very high6 Ų651.2 Ų51.23%0.0325%0.251CS..  trans-57.6150.118073.1-179.4-178.600111.3I116 Y121 F122 E129 L130 H149 L152I116-M125 HydrophobicContact CD1-SD 4.04Å; Y121-M125 HydrophobicContact CE1-CB 4.23Å; Y121-M125 HydrophobicContact CE1-SD 4.32Å; Y121-M125 PolarHBondContact O-N 3.49Å; F122-M125 HydrophobicContact CB-CE 4.16Å; F122-M125 HydrophobicContact CB-SD 3.95Å; M125-E129 WeakPolarHBondContact CA-OE2 3.39Å; M125-E129 HydrophobicContact CB-CB 4.25Å; M125-L130 HydrophobicContact CE-CB 3.85Å; M125-L130 HydrophobicContact CE-CD1 3.84Å; M125-L130 HydrophobicContact CE-CD2 3.84Å; M125-L130 HydrophobicContact CE-CG 4.04Å; M125-L130 HydrophobicContact SD-CB 4.08Å; M125-L130 HydrophobicContact SD-CD1 4.22Å; M125-H149 PolarHBondContact O-NE2 2.82Å; M125-L152 HydrophobicContact CE-CB 4.34Å; M125-L152 HydrophobicContact CE-CD2 3.69Å; M125-L152 HydrophobicContact CE-CG 4.31Å
126S98.6Very high98.1Very high41 Ų4149.4 Ų49.429%0.28724%0.24SC..  trans-82166.3172.590.70000111.7E128 E129 L130S126-E128 WeakPolarHBondContact CB-OE2 3.41Å; S126-E128 PolarHBondContact O-N 3.15Å; S126-E128 PolarHBondContact OG-N 2.8Å; S126-E128 PolarHBondContact OG-OE2 3.02Å; S126-E129 PolarHBondContact N-OE2 3.17Å; S126-E129 PolarHBondContact O-N 3.36Å; S126-E129 PolarHBondContact OG-N 2.81Å; S126-E129 VanDerWaalsContact OG-N 3.16Å; S126-L130 PolarHBondContact O-N 3.33Å; S126-L130 VanDerWaalsContact O-N 3.07Å
127V98.6Very high98Very high36 Ų3653.4 Ų53.422%0.21826%0.261CS..Hα-helixtrans-62.8-36.4174.3179.60000110.2L130 G131 V145 H149V127-L130 PolarHBondContact O-N 3.48Å; V127-G131 PolarHBondContact O-N 3.11Å; V127-V145 HydrophobicContact CG1-CG1 4.22Å; V127-H149 HydrophobicContact CG2-CB 4.05Å
128E98.4Very high97.8Very high127 Ų12755.1 Ų55.159%0.59327%0.27SS*.Hα-helixtrans-66.9-37.6177.4-56.573.8-161.500111.8S126 G131 K132S126-E128 WeakPolarHBondContact CB-OE2 3.41Å; S126-E128 PolarHBondContact O-N 3.15Å; S126-E128 PolarHBondContact OG-N 2.8Å; S126-E128 PolarHBondContact OG-OE2 3.02Å; E128-G131 PolarHBondContact O-N 2.95Å; E128-K132 WeakPolarHBondContact O-CG 3.32Å; E128-K132 PolarHBondContact O-N 3.31Å
129E98.5Very high97.6Very high75 Ų7561.8 Ų61.835%0.3530%0.299SS..Hα-helixtrans-64.4-45.5173.5-69.9178.412900111M125 S126 G131 K132 V133M125-E129 WeakPolarHBondContact CA-OE2 3.39Å; M125-E129 HydrophobicContact CB-CB 4.25Å; S126-E129 PolarHBondContact N-OE2 3.17Å; S126-E129 PolarHBondContact O-N 3.36Å; S126-E129 PolarHBondContact OG-N 2.81Å; S126-E129 VanDerWaalsContact OG-N 3.16Å; E129-G131 VanDerWaalsContact C-N 3.31Å; E129-G131 PolarHBondContact O-N 3.22Å; E129-K132 PolarHBondContact O-N 2.87Å; E129-V133 PolarHBondContact O-N 3.22Å; E129-V133 VanDerWaalsContact O-N 3.12Å
130L98.7Very high97.4Very high0 Ų063.1 Ų63.10%031%0.307CS..Hα-helixtrans-62.8-39.1173.3-175.960.3000111.9M74 I116 M125 S126 V127 K132 V133 L134 V145 R148 H149M74-L130 HydrophobicContact SD-CD1 4.33Å; M74-L130 HydrophobicContact SD-CD2 4.41Å; I116-L130 HydrophobicContact CD1-CD1 4.32Å; M125-L130 HydrophobicContact CE-CB 3.85Å; M125-L130 HydrophobicContact CE-CD1 3.84Å; M125-L130 HydrophobicContact CE-CD2 3.84Å; M125-L130 HydrophobicContact CE-CG 4.04Å; M125-L130 HydrophobicContact SD-CB 4.08Å; M125-L130 HydrophobicContact SD-CD1 4.22Å; S126-L130 PolarHBondContact O-N 3.33Å; S126-L130 VanDerWaalsContact O-N 3.07Å; V127-L130 PolarHBondContact O-N 3.48Å; L130-K132 VanDerWaalsContact C-N 3.27Å; L130-K132 PolarHBondContact O-N 3.25Å; L130-V133 HydrophobicContact CD1-CB 4.4Å; L130-V133 HydrophobicContact CD1-CG1 4.37Å; L130-V133 WeakPolarHBondContact O-CB 3.15Å; L130-V133 PolarHBondContact O-N 2.95Å; L130-V133 VanDerWaalsContact O-N 3.12Å; L130-L134 HydrophobicContact CD1-CD1 3.77Å; L130-L134 HydrophobicContact CD1-CD2 4.47Å; L130-L134 HydrophobicContact CD1-CG 3.81Å; L130-L134 HydrophobicContact CD2-CD1 4.08Å; L130-L134 HydrophobicContact CG-CD1 3.72Å; L130-L134 HydrophobicContact CG-CG 4.09Å; L130-L134 WeakPolarHBondContact O-CB 3.35Å; L130-L134 WeakPolarHBondContact O-CG 3.4Å; L130-L134 PolarHBondContact O-N 3.48Å; L130-V145 HydrophobicContact CD2-CG1 4.46Å; L130-V145 HydrophobicContact CG-CG1 4.46Å; L130-R148 HydrophobicContact CD2-CB 4.07Å; L130-H149 VanDerWaalsContact CD2-CA 3.43Å; L130-H149 HydrophobicContact CD2-CB 3.68Å; L130-H149 VanDerWaalsContact CD2-N 3.34Å
131G98.2Very high97.1Very high28 Ų2860 Ų6029%0.28931%0.307SS..Hα-helixtrans-59.6-36.9175.900000112.7V127 E128 E129 L134 R135V127-G131 PolarHBondContact O-N 3.11Å; E128-G131 PolarHBondContact O-N 2.95Å; E129-G131 VanDerWaalsContact C-N 3.31Å; E129-G131 PolarHBondContact O-N 3.22Å; G131-L134 CarbonylContact O-C 3.55Å; G131-R135 WeakPolarHBondContact O-CA 3.37Å; G131-R135 PolarHBondContact O-N 3.29Å
132K98.1Very high97Very high142 Ų14257.8 Ų57.862%0.61730%0.299SS*.Hα-helixtrans-69.7-36173.8-69.9168.9-173.3173.60112.7E128 E129 L130 R135E128-K132 WeakPolarHBondContact O-CG 3.32Å; E128-K132 PolarHBondContact O-N 3.31Å; E129-K132 PolarHBondContact O-N 2.87Å; L130-K132 VanDerWaalsContact C-N 3.27Å; L130-K132 PolarHBondContact O-N 3.25Å; K132-R135 VanDerWaalsContact O-CD 3.24Å; K132-R135 WeakPolarHBondContact O-CD 3.1Å; K132-R135 VanDerWaalsContact O-CG 3.24Å; K132-R135 WeakPolarHBondContact O-CG 3.42Å; K132-R135 PolarHBondContact O-NH1 3.23Å
133V98.4Very high96.8Very high6 Ų658.9 Ų58.94%0.03631%0.306CS..Hα-helixtrans-64.3-49.6173.9165.10000110.2I106 A109 V114 I116 E129 L130 R135I106-V133 HydrophobicContact CD1-CG1 4.01Å; A109-V133 HydrophobicContact CB-CB 4.45Å; A109-V133 HydrophobicContact CB-CG1 3.82Å; A109-V133 HydrophobicContact CB-CG2 4.26Å; V114-V133 HydrophobicContact CG1-CG2 4.04Å; I116-V133 HydrophobicContact CD1-CG1 4.04Å; I116-V133 HydrophobicContact CD1-CG2 4.23Å; I116-V133 HydrophobicContact CG1-CG1 3.9Å; E129-V133 PolarHBondContact O-N 3.22Å; E129-V133 VanDerWaalsContact O-N 3.12Å; L130-V133 HydrophobicContact CD1-CB 4.4Å; L130-V133 HydrophobicContact CD1-CG1 4.37Å; L130-V133 WeakPolarHBondContact O-CB 3.15Å; L130-V133 PolarHBondContact O-N 2.95Å; L130-V133 VanDerWaalsContact O-N 3.12Å; V133-R135 VanDerWaalsContact C-N 3.27Å; V133-R135 PolarHBondContact O-N 2.91Å
134L98.1Very high96.7Very high2 Ų260.3 Ų60.31%0.0131%0.312CS..THydrogen-bonded Turntrans-86.612.8-176.7-57.7-178.1000114M74 L102 A105 I106 L130 G131 S136 M142M74-L134 HydrophobicContact SD-CD1 4.26Å; L102-L134 HydrophobicContact CD1-CD2 3.67Å; A105-L134 HydrophobicContact CB-CD2 3.98Å; I106-L134 HydrophobicContact CD1-CD2 3.96Å; L130-L134 HydrophobicContact CD1-CD1 3.77Å; L130-L134 HydrophobicContact CD1-CD2 4.47Å; L130-L134 HydrophobicContact CD1-CG 3.81Å; L130-L134 HydrophobicContact CD2-CD1 4.08Å; L130-L134 HydrophobicContact CG-CD1 3.72Å; L130-L134 HydrophobicContact CG-CG 4.09Å; L130-L134 WeakPolarHBondContact O-CB 3.35Å; L130-L134 WeakPolarHBondContact O-CG 3.4Å; L130-L134 PolarHBondContact O-N 3.48Å; G131-L134 CarbonylContact O-C 3.55Å; L134-S136 PolarHBondContact O-N 2.92Å; L134-M142 HydrophobicContact CB-CB 4.16Å; L134-M142 HydrophobicContact CB-CG 4.3Å; L134-M142 HydrophobicContact CD1-CG 4.16Å
135R97.2Very high96.6Very high91 Ų9153.5 Ų53.534%0.34329%0.285SS..  trans-56.3134-175.768.6-172.1-174.6-84.61111.2R108 E112 G131 K132 V133R108-R135 PolarHBondContact NH2-O 3.31Å; E112-R135 IonicContact OE1-CZ 2.71Å; E112-R135 IonicContact OE1-NH1 2.92Å; E112-R135 IonicContact OE1-NH2 3.29Å; E112-R135 PolarHBondContact OE1-NH2 2.96Å; E112-R135 IonicContact OE2-CZ 3.69Å; E112-R135 IonicContact OE2-NH1 3.6Å; E112-R135 PolarHBondContact OE2-NH1 3.03Å; E112-R135 IonicContact OE2-NH2 3.57Å; E112-R135 PolarHBondContact OE2-NH2 2.74Å; G131-R135 WeakPolarHBondContact O-CA 3.37Å; G131-R135 PolarHBondContact O-N 3.29Å; K132-R135 VanDerWaalsContact O-CD 3.24Å; K132-R135 WeakPolarHBondContact O-CD 3.1Å; K132-R135 VanDerWaalsContact O-CG 3.24Å; K132-R135 WeakPolarHBondContact O-CG 3.42Å; K132-R135 PolarHBondContact O-NH1 3.23Å; V133-R135 VanDerWaalsContact C-N 3.27Å; V133-R135 PolarHBondContact O-N 2.91Å
136S96.7Very high96.6Very high23 Ų2357.6 Ų57.616%0.16130%0.304CS..  trans-79.3156.8171.2-164.60000110.7C87 E88 L134 N138 T140C87-S136 VanDerWaalsContact SG-CB 3.55Å; E88-S136 PolarHBondContact N-OG 3.44Å; E88-S136 CarbonylContact O-C 3.54Å; E88-S136 VanDerWaalsContact O-CA 3.26Å; E88-S136 WeakPolarHBondContact O-CA 3.31Å; E88-S136 PolarHBondContact O-OG 3.42Å; L134-S136 PolarHBondContact O-N 2.92Å; S136-N138 VanDerWaalsContact C-N 3.28Å; S136-N138 PolarHBondContact OG-N 3.39Å; S136-N138 PolarHBondContact OG-OD1 2.95Å; S136-N138 VanDerWaalsContact OG-OD1 3.06Å; S136-T140 WeakPolarHBondContact CB-O 3.3Å; S136-T140 PolarHBondContact OG-O 3.39Å
137D96.3Very high96.6Very high84 Ų8458.7 Ų58.745%0.44931%0.305SS..SBendtrans-89.34.9169.6-60.9-48000112.3E88 V89 T90 R108E88-D137 PolarHBondContact O-N 3.24Å; V89-D137 WeakPolarHBondContact CA-OD2 3.33Å; T90-D137 PolarHBondContact N-OD2 3.24Å; R108-D137 IonicContact NH1-OD1 2.86Å; R108-D137 PolarHBondContact NH1-OD1 3.4Å; R108-D137 IonicContact NH1-OD2 2.73Å; R108-D137 PolarHBondContact NH1-OD2 2.99Å
138N94.1Very high96.6Very high54 Ų5457 Ų5729%0.28929%0.294SS..SBendtrans-129.6-175.1170.974.124000111.8Q86 E88 S136 T140Q86-N138 PolarHBondContact O-ND2 2.86Å; Q86-N138 PolarHBondContact O-OD1 3.48Å; E88-N138 WeakPolarHBondContact CB-ND2 3.22Å; E88-N138 VanDerWaalsContact CG-ND2 3.33Å; E88-N138 WeakPolarHBondContact CG-ND2 3.36Å; E88-N138 PolarHBondContact OE2-ND2 2.58Å; S136-N138 VanDerWaalsContact C-N 3.28Å; S136-N138 PolarHBondContact OG-N 3.39Å; S136-N138 PolarHBondContact OG-OD1 2.95Å; S136-N138 VanDerWaalsContact OG-OD1 3.06Å; N138-T140 PolarHBondContact O-N 2.63Å; N138-T140 WeakPolarHBondContact OD1-CA 3.37Å; N138-T140 VanDerWaalsContact OD1-CB 3.3Å; N138-T140 WeakPolarHBondContact OD1-CB 3.47Å; N138-T140 PolarHBondContact OD1-N 2.68Å; N138-T140 PolarHBondContact OD1-O 3.3Å
139E92.3Very high96.6Very high204 Ų20452.2 Ų52.295%0.95327%0.272SS*.SBendtrans-71.5-11.8-177.4-61.6-176.4170.900114A141E139-A141 PolarHBondContact O-N 3.06Å
140T93.7Very high96.6Very high33 Ų3353.7 Ų53.720%0.20228%0.279CS..  trans-90.2108.2-177.7-510000110.4Q85 C87 S136 N138Q85-T140 HydrophobicContact CB-CG2 4.34Å; Q85-T140 WeakPolarHBondContact O-CG2 3.46Å; C87-T140 HydrophobicContact CB-CG2 4.47Å; C87-T140 PolarHBondContact SG-O 2.94Å; S136-T140 WeakPolarHBondContact CB-O 3.3Å; S136-T140 PolarHBondContact OG-O 3.39Å; N138-T140 PolarHBondContact O-N 2.63Å; N138-T140 WeakPolarHBondContact OD1-CA 3.37Å; N138-T140 VanDerWaalsContact OD1-CB 3.3Å; N138-T140 WeakPolarHBondContact OD1-CB 3.47Å; N138-T140 PolarHBondContact OD1-N 2.68Å; N138-T140 PolarHBondContact OD1-O 3.3Å
141A93.2Very high96.6Very high72 Ų7253.9 Ų53.960%0.59528%0.28SS*.PPolyproline II helixtrans-64154.8175.400000112.7E139E139-A141 PolarHBondContact O-N 3.06Å
142M94.9Very high96.7Very high9 Ų952.6 Ų52.64%0.04427%0.267CS..PPolyproline II helixtrans-54.9130.3168.8178.47062.400109.4F78 C87 T101 L102 L134 V145F78-M142 HydrophobicContact CD1-SD 4.33Å; F78-M142 HydrophobicContact CE1-SD 4.39Å; C87-M142 VanDerWaalsContact SG-CA 3.58Å; C87-M142 PolarHBondContact SG-N 3Å; C87-M142 VanDerWaalsContact SG-N 3.41Å; T101-M142 HydrophobicContact CG2-CE 3.58Å; L102-M142 HydrophobicContact CB-CE 4.48Å; L134-M142 HydrophobicContact CB-CB 4.16Å; L134-M142 HydrophobicContact CB-CG 4.3Å; L134-M142 HydrophobicContact CD1-CG 4.16Å; M142-V145 HydrophobicContact CB-CG2 4.05Å; M142-V145 HydrophobicContact CG-CG2 4.48Å; M142-V145 WeakPolarHBondContact O-CG2 3.34Å
143P94.1Very high96.7Very high25 Ų2546.1 Ų46.116%0.16224%0.239CC..THydrogen-bonded Turntrans-62.1147176.5-23.633.6000112C77 V145 R148C77-P143 WeakPolarHBondContact O-CB 3.24Å; P143-V145 VanDerWaalsContact C-N 3.35Å; P143-V145 PolarHBondContact O-N 3.37Å; P143-R148 PolarHBondContact O-NE 2.86Å
144M95.5Very high96.7Very high36 Ų3648.4 Ų48.418%0.17725%0.249CC..THydrogen-bonded Turntrans56.440.1169-57.7-175.272.200114.6F76 C77 Q146 E147 R148 I337F76-M144 HydrophobicContact CD2-CE 4.44Å; F76-M144 HydrophobicContact CD2-SD 4.22Å; F76-M144 HydrophobicContact CE2-CB 4.24Å; F76-M144 HydrophobicContact CE2-CE 4.13Å; F76-M144 HydrophobicContact CE2-SD 4.26Å; C77-M144 HydrophobicContact CB-SD 3.4Å; C77-M144 WeakPolarHBondContact CB-SD 3.46Å; M144-Q146 PolarHBondContact O-N 3.27Å; M144-E147 VanDerWaalsContact C-OE2 3.31Å; M144-E147 WeakPolarHBondContact CA-OE2 3.45Å; M144-E147 HydrophobicContact CB-CB 4.26Å; M144-E147 WeakPolarHBondContact CB-OE2 3.37Å; M144-E147 HydrophobicContact CE-CB 4.04Å; M144-E147 HydrophobicContact CE-CG 3.67Å; M144-E147 PolarHBondContact O-N 3.38Å; M144-R148 WeakPolarHBondContact O-CB 3.26Å; M144-R148 VanDerWaalsContact O-CG 3.31Å; M144-R148 WeakPolarHBondContact O-CG 3.44Å; M144-R148 PolarHBondContact O-N 3.3Å; M144-I337 HydrophobicContact CE-CG2 4.23Å
145V97.3Very high96.7Very high30 Ų3048.3 Ų48.318%0.18225%0.249CC..Hα-helixtrans-57.3-38.8178.7-177.10000111.8V127 L130 M142 P143 R148 H149V127-V145 HydrophobicContact CG1-CG1 4.22Å; L130-V145 HydrophobicContact CD2-CG1 4.46Å; L130-V145 HydrophobicContact CG-CG1 4.46Å; M142-V145 HydrophobicContact CB-CG2 4.05Å; M142-V145 HydrophobicContact CG-CG2 4.48Å; M142-V145 WeakPolarHBondContact O-CG2 3.34Å; P143-V145 VanDerWaalsContact C-N 3.35Å; P143-V145 PolarHBondContact O-N 3.37Å; V145-R148 PolarHBondContact O-N 2.87Å; V145-H149 WeakPolarHBondContact O-CB 3.1Å; V145-H149 PolarHBondContact O-N 2.92Å
146Q98.2Very high96.8Very high92 Ų9244 Ų4443%0.4323%0.233SC..Hα-helixtrans-62.1-47.3179.2-175.267.423.700111.1M144 H149 Q150M144-Q146 PolarHBondContact O-N 3.27Å; Q146-H149 WeakPolarHBondContact O-CB 3.37Å; Q146-H149 PolarHBondContact O-N 2.91Å; Q146-Q150 VanDerWaalsContact O-CG 3.3Å; Q146-Q150 WeakPolarHBondContact O-CG 3.47Å; Q146-Q150 PolarHBondContact O-N 3.46Å
147E98.6Very high96.9Very high63 Ų6350 Ų5029%0.29425%0.252SS..Hα-helixtrans-69.5-39.6179.9-63.680.4177.600110.9F76 M144 H149 Q150 V151 I337F76-E147 HydrophobicContact CE2-CB 4.16Å; F76-E147 HydrophobicContact CZ-CB 4.28Å; M144-E147 VanDerWaalsContact C-OE2 3.31Å; M144-E147 WeakPolarHBondContact CA-OE2 3.45Å; M144-E147 HydrophobicContact CB-CB 4.26Å; M144-E147 WeakPolarHBondContact CB-OE2 3.37Å; M144-E147 HydrophobicContact CE-CB 4.04Å; M144-E147 HydrophobicContact CE-CG 3.67Å; M144-E147 PolarHBondContact O-N 3.38Å; E147-H149 VanDerWaalsContact C-N 3.31Å; E147-H149 PolarHBondContact O-N 3.26Å; E147-Q150 PolarHBondContact O-N 2.99Å; E147-V151 WeakPolarHBondContact O-CG1 3.34Å; E147-V151 WeakPolarHBondContact O-CG2 3.43Å; E147-V151 PolarHBondContact O-N 3.02Å; E147-I337 HydrophobicContact CB-CG2 3.8Å; E147-I337 HydrophobicContact CG-CG2 4.1Å
148R98.5Very high97Very high0 Ų046.6 Ų46.60%023%0.234CC..Hα-helixtrans-58.2-43.4172.8-75.2177.2-178.47.9-6.2112M74 F76 F78 L130 P143 M144 V145 V151 L152M74-R148 HydrophobicContact CB-CG 4.09Å; M74-R148 HydrophobicContact CG-CB 3.89Å; M74-R148 HydrophobicContact CG-CG 3.95Å; M74-R148 PolarHBondContact O-NH1 3.01Å; M74-R148 HydrophobicContact SD-CB 3.85Å; M74-R148 HydrophobicContact SD-CG 4.26Å; F76-R148 HydrophobicContact CE1-CG 4.32Å; F76-R148 HydrophobicContact CE2-CG 4.27Å; F76-R148 HydrophobicContact CZ-CG 3.76Å; F76-R148 VanDerWaalsContact CZ-NH1 3.31Å; F76-R148 VanDerWaalsContact O-CZ 3.22Å; F76-R148 PolarHBondContact O-NH1 2.96Å; F76-R148 PolarHBondContact O-NH2 2.85Å; F78-R148 VanDerWaalsContact CE1-NH2 3.27Å; L130-R148 HydrophobicContact CD2-CB 4.07Å; P143-R148 PolarHBondContact O-NE 2.86Å; M144-R148 WeakPolarHBondContact O-CB 3.26Å; M144-R148 VanDerWaalsContact O-CG 3.31Å; M144-R148 WeakPolarHBondContact O-CG 3.44Å; M144-R148 PolarHBondContact O-N 3.3Å; V145-R148 PolarHBondContact O-N 2.87Å; R148-V151 WeakPolarHBondContact O-CG2 3.46Å; R148-L152 VanDerWaalsContact O-CB 3.26Å; R148-L152 WeakPolarHBondContact O-CB 3.06Å; R148-L152 PolarHBondContact O-N 2.76Å
149H98.8Very high97.2Very high27 Ų2744.1 Ų44.113%0.12522%0.221CC..Hα-helixtrans-59.3-51.6173.5172.5-88.9000111M125 V127 L130 V145 Q146 E147 V151 L152 T153M125-H149 PolarHBondContact O-NE2 2.82Å; V127-H149 HydrophobicContact CG2-CB 4.05Å; L130-H149 VanDerWaalsContact CD2-CA 3.43Å; L130-H149 HydrophobicContact CD2-CB 3.68Å; L130-H149 VanDerWaalsContact CD2-N 3.34Å; V145-H149 WeakPolarHBondContact O-CB 3.1Å; V145-H149 PolarHBondContact O-N 2.92Å; Q146-H149 WeakPolarHBondContact O-CB 3.37Å; Q146-H149 PolarHBondContact O-N 2.91Å; E147-H149 VanDerWaalsContact C-N 3.31Å; E147-H149 PolarHBondContact O-N 3.26Å; H149-V151 PolarHBondContact O-N 2.88Å; H149-L152 PolarHBondContact O-N 2.85Å; H149-T153 PolarHBondContact NE2-OG1 3.41Å; H149-T153 VanDerWaalsContact O-CB 3.29Å; H149-T153 WeakPolarHBondContact O-CB 3.47Å; H149-T153 PolarHBondContact O-N 3.13Å; H149-T153 PolarHBondContact O-OG1 3Å
150Q98.8Very high97.5Very high106 Ų10637.6 Ų37.650%0.49519%0.192SC..Hα-helixtrans-57.3-49.5-178.5-73.1169.5-9.700112.3Q146 E147 E154Q146-Q150 VanDerWaalsContact O-CG 3.3Å; Q146-Q150 WeakPolarHBondContact O-CG 3.47Å; Q146-Q150 PolarHBondContact O-N 3.46Å; E147-Q150 PolarHBondContact O-N 2.99Å; Q150-E154 WeakPolarHBondContact O-CB 3.49Å; Q150-E154 PolarHBondContact O-N 3.5Å
151V98.8Very high97.6Very high5 Ų543.1 Ų43.13%0.0322%0.215CC..Hα-helixtrans-69.4-36.8-178.2-58.10000112.3T73 F76 E147 R148 H149 E154 G155 S190 I337T73-V151 HydrophobicContact CG2-CB 4.1Å; T73-V151 HydrophobicContact CG2-CG2 3.81Å; T73-V151 WeakPolarHBondContact O-CG2 3.39Å; F76-V151 HydrophobicContact CE1-CG2 3.84Å; F76-V151 HydrophobicContact CZ-CG2 4.07Å; E147-V151 WeakPolarHBondContact O-CG1 3.34Å; E147-V151 WeakPolarHBondContact O-CG2 3.43Å; E147-V151 PolarHBondContact O-N 3.02Å; R148-V151 WeakPolarHBondContact O-CG2 3.46Å; H149-V151 PolarHBondContact O-N 2.88Å; V151-E154 PolarHBondContact O-N 2.95Å; V151-G155 PolarHBondContact O-N 3.33Å; V151-S190 VanDerWaalsContact CG1-CB 3.49Å; V151-I337 HydrophobicContact CG1-CD1 4.06Å
152L98.6Very high97.8Very high0 Ų041.8 Ų41.80%020%0.197CC..Hα-helixtrans-71.3-41.8179.5-169.363.6000111V70 T73 M74 I116 F122 M125 R148 H149 G155 G156V70-L152 HydrophobicContact CB-CD1 4.36Å; V70-L152 HydrophobicContact CG1-CD1 4.3Å; V70-L152 HydrophobicContact CG1-CD2 4.18Å; V70-L152 HydrophobicContact CG2-CD1 4.17Å; T73-L152 HydrophobicContact CG2-CB 4.43Å; T73-L152 HydrophobicContact CG2-CD1 4.09Å; M74-L152 HydrophobicContact CE-CD2 3.79Å; M74-L152 HydrophobicContact SD-CD2 4.14Å; I116-L152 HydrophobicContact CD1-CD2 4.44Å; F122-L152 HydrophobicContact CB-CD2 3.88Å; F122-L152 HydrophobicContact CB-CG 4.02Å; F122-L152 HydrophobicContact CD2-CD1 3.97Å; F122-L152 HydrophobicContact CD2-CD2 4.41Å; F122-L152 HydrophobicContact CD2-CG 3.68Å; F122-L152 VanDerWaalsContact CD2-O 3.23Å; F122-L152 WeakPolarHBondContact CD2-O 3.48Å; F122-L152 HydrophobicContact CE2-CD1 3.99Å; F122-L152 HydrophobicContact CE2-CG 4.2Å; F122-L152 WeakPolarHBondContact CE2-O 3.3Å; F122-L152 HydrophobicContact CG-CD1 4.35Å; F122-L152 HydrophobicContact CG-CD2 4.19Å; F122-L152 HydrophobicContact CG-CG 3.96Å; F122-L152 HydrophobicContact CZ-CD1 4.45Å; M125-L152 HydrophobicContact CE-CB 4.34Å; M125-L152 HydrophobicContact CE-CD2 3.69Å; M125-L152 HydrophobicContact CE-CG 4.31Å; R148-L152 VanDerWaalsContact O-CB 3.26Å; R148-L152 WeakPolarHBondContact O-CB 3.06Å; R148-L152 PolarHBondContact O-N 2.76Å; H149-L152 PolarHBondContact O-N 2.85Å; L152-G155 PolarHBondContact O-N 3.01Å; L152-G156 PolarHBondContact O-N 3.46Å
153T98.7Very high97.8Very high6 Ų644.3 Ų44.34%0.03723%0.225CC..Hα-helixtrans-64.5-39.6174.7-69.60000112.2F122 S123 H149 G156 R157F122-T153 WeakPolarHBondContact O-CA 3.48Å; F122-T153 PolarHBondContact O-OG1 2.88Å; S123-T153 WeakPolarHBondContact O-CG2 3.42Å; H149-T153 PolarHBondContact NE2-OG1 3.41Å; H149-T153 VanDerWaalsContact O-CB 3.29Å; H149-T153 WeakPolarHBondContact O-CB 3.47Å; H149-T153 PolarHBondContact O-N 3.13Å; H149-T153 PolarHBondContact O-OG1 3Å; T153-G156 PolarHBondContact O-N 3.36Å; T153-R157 WeakPolarHBondContact O-CG 3.49Å; T153-R157 PolarHBondContact O-N 3.46Å; T153-R157 VanDerWaalsContact O-N 3.11Å
154E98.8Very high97.8Very high55 Ų5544.3 Ų44.326%0.25723%0.23SC..Hα-helixtrans-58.2-55.2171.4-179.3-172.7-112.900110.8Q150 V151 G156 R157 V158 I188 P189 S190Q150-E154 WeakPolarHBondContact O-CB 3.49Å; Q150-E154 PolarHBondContact O-N 3.5Å; V151-E154 PolarHBondContact O-N 2.95Å; E154-G156 PolarHBondContact O-N 3.22Å; E154-R157 PolarHBondContact O-N 3.14Å; E154-R157 VanDerWaalsContact O-N 3.15Å; E154-V158 WeakPolarHBondContact O-CG2 3.31Å; E154-V158 PolarHBondContact O-N 3.11Å; E154-V158 VanDerWaalsContact O-N 3.11Å; E154-I188 HydrophobicContact CG-CG2 4.33Å; E154-I188 WeakPolarHBondContact OE2-CG2 3.45Å; E154-P189 WeakPolarHBondContact OE1-CD 3.43Å; E154-S190 WeakPolarHBondContact OE2-CB 3.48Å; E154-S190 PolarHBondContact OE2-N 3.04Å; E154-S190 PolarHBondContact OE2-OG 2.88Å
155G98.5Very high97.8Very high0 Ų044 Ų440%023%0.231CC..Hα-helixtrans-54.5-41.3178.100000111.9V151 L152 R157 V158 L159V151-G155 PolarHBondContact O-N 3.33Å; L152-G155 PolarHBondContact O-N 3.01Å; G155-R157 PolarHBondContact O-N 2.87Å; G155-V158 PolarHBondContact O-N 3.39Å; G155-L159 VanDerWaalsContact O-CG 3.31Å; G155-L159 WeakPolarHBondContact O-CG 3.47Å; G155-L159 PolarHBondContact O-N 3.15Å
156G98.3Very high97.7Very high0 Ų042.5 Ų42.50%022%0.222CC..Hα-helixtrans-63.6-42.8179.600000113.4L152 T153 E154 L159 L160L152-G156 PolarHBondContact O-N 3.46Å; T153-G156 PolarHBondContact O-N 3.36Å; E154-G156 PolarHBondContact O-N 3.22Å; G156-L159 PolarHBondContact O-N 3.42Å; G156-L160 VanDerWaalsContact O-CG 3.27Å; G156-L160 WeakPolarHBondContact O-CG 3.43Å; G156-L160 PolarHBondContact O-N 3.12Å
157R98.5Very high97.5Very high148 Ų14842.1 Ų42.156%0.55822%0.217SC*.Hα-helixtrans-62.3-45.5175.9-69.4172.7-171.6164.93.3111T153 E154 G155 L159 L160 E161T153-R157 WeakPolarHBondContact O-CG 3.49Å; T153-R157 PolarHBondContact O-N 3.46Å; T153-R157 VanDerWaalsContact O-N 3.11Å; E154-R157 PolarHBondContact O-N 3.14Å; E154-R157 VanDerWaalsContact O-N 3.15Å; G155-R157 PolarHBondContact O-N 2.87Å; R157-L159 PolarHBondContact O-N 3.12Å; R157-L160 PolarHBondContact O-N 3.09Å; R157-E161 WeakPolarHBondContact O-CG 3.28Å; R157-E161 PolarHBondContact O-N 2.93Å; R157-E161 VanDerWaalsContact O-N 3.12Å
158V98.4Very high97.4Very high14 Ų1441.5 Ų41.59%0.08522%0.219CC..Hα-helixtrans-62-44.4177.61770000111.1E154 G155 L160 E161 H162 F169 K187 I188E154-V158 WeakPolarHBondContact O-CG2 3.31Å; E154-V158 PolarHBondContact O-N 3.11Å; E154-V158 VanDerWaalsContact O-N 3.11Å; G155-V158 PolarHBondContact O-N 3.39Å; V158-L160 VanDerWaalsContact C-N 3.32Å; V158-L160 PolarHBondContact O-N 2.86Å; V158-E161 PolarHBondContact O-N 3.17Å; V158-H162 PolarHBondContact O-N 2.77Å; V158-H162 PolarHBondContact O-ND1 3.43Å; V158-F169 HydrophobicContact CG1-CD2 4.25Å; V158-F169 HydrophobicContact CG1-CE2 3.83Å; V158-K187 HydrophobicContact CG1-CB 3.96Å; V158-K187 VanDerWaalsContact CG2-O 3.3Å; V158-K187 WeakPolarHBondContact CG2-O 3.47Å; V158-I188 HydrophobicContact CB-CG1 4.1Å; V158-I188 HydrophobicContact CG1-CD1 4.46Å; V158-I188 HydrophobicContact CG1-CG1 3.81Å; V158-I188 HydrophobicContact CG2-CG1 4.25Å
159L98.3Very high97.3Very high2 Ų241.5 Ų41.51%0.0122%0.219CC..Hα-helixtrans-60.8-41.2176.6-69.8-170.9000111.8F69 P119 F122 G155 G156 R157 E161 H162 G163 G164 F166 F169F69-L159 HydrophobicContact CD1-CD1 3.78Å; F69-L159 HydrophobicContact CD2-CD1 4.27Å; F69-L159 HydrophobicContact CE1-CD1 3.49Å; F69-L159 VanDerWaalsContact CE1-CD1 3.49Å; F69-L159 HydrophobicContact CE1-CG 4.18Å; F69-L159 HydrophobicContact CE2-CD1 4Å; F69-L159 HydrophobicContact CE2-CD2 4.14Å; F69-L159 HydrophobicContact CE2-CG 4.23Å; F69-L159 HydrophobicContact CG-CD1 4.16Å; F69-L159 HydrophobicContact CZ-CD1 3.6Å; F69-L159 HydrophobicContact CZ-CD2 4.24Å; F69-L159 HydrophobicContact CZ-CG 3.83Å; P119-L159 HydrophobicContact CB-CB 4.08Å; P119-L159 HydrophobicContact CB-CD1 4.35Å; P119-L159 HydrophobicContact CG-CB 4.16Å; P119-L159 HydrophobicContact CG-CD1 3.75Å; F122-L159 HydrophobicContact CZ-CD1 4.18Å; G155-L159 VanDerWaalsContact O-CG 3.31Å; G155-L159 WeakPolarHBondContact O-CG 3.47Å; G155-L159 PolarHBondContact O-N 3.15Å; G156-L159 PolarHBondContact O-N 3.42Å; R157-L159 PolarHBondContact O-N 3.12Å; L159-E161 VanDerWaalsContact C-N 3.3Å; L159-E161 PolarHBondContact O-N 2.88Å; L159-H162 CarbonylContact O-C 3.52Å; L159-H162 PolarHBondContact O-N 3.26Å; L159-G163 PolarHBondContact O-N 2.92Å; L159-G164 VanDerWaalsContact O-CA 3.26Å; L159-G164 WeakPolarHBondContact O-CA 3.41Å; L159-G164 PolarHBondContact O-N 3.44Å; L159-F166 HydrophobicContact CD1-CB 4.31Å; L159-F166 HydrophobicContact CD2-CB 4.4Å; L159-F166 HydrophobicContact CD2-CD2 4.31Å; L159-F169 HydrophobicContact CD2-CB 3.48Å; L159-F169 VanDerWaalsContact CD2-CB 3.48Å; L159-F169 HydrophobicContact CD2-CD1 4.06Å; L159-F169 HydrophobicContact CD2-CD2 4.39Å; L159-F169 HydrophobicContact CD2-CG 3.72Å
160L98.3Very high97.2Very high66 Ų6640.4 Ų40.435%0.34621%0.214SC..Hα-helixtrans-62.8-35177.6-70.8175.8000113P119 K120 S123 G156 R157 V158 H162P119-L160 HydrophobicContact CB-CD2 4.18Å; P119-L160 HydrophobicContact CB-CG 4.25Å; K120-L160 HydrophobicContact CG-CD2 3.63Å; S123-L160 WeakPolarHBondContact OG-CD1 3.42Å; G156-L160 VanDerWaalsContact O-CG 3.27Å; G156-L160 WeakPolarHBondContact O-CG 3.43Å; G156-L160 PolarHBondContact O-N 3.12Å; R157-L160 PolarHBondContact O-N 3.09Å; V158-L160 VanDerWaalsContact C-N 3.32Å; V158-L160 PolarHBondContact O-N 2.86Å; L160-H162 PolarHBondContact O-N 3.49Å
161E97.4Very high97.1Very high149 Ų14938.7 Ų38.770%0.69621%0.214SC*.Hα-helixtrans-68.6-23.4174.2-69.1170.8-17500112.7R157 V158 L159R157-E161 WeakPolarHBondContact O-CG 3.28Å; R157-E161 PolarHBondContact O-N 2.93Å; R157-E161 VanDerWaalsContact O-N 3.12Å; V158-E161 PolarHBondContact O-N 3.17Å; L159-E161 VanDerWaalsContact C-N 3.3Å; L159-E161 PolarHBondContact O-N 2.88Å
162H96.3Very high96.9Very high45 Ų4543.6 Ų43.621%0.20824%0.237CC..THydrogen-bonded Turntrans-116.843.1-174.3-59.383.4000112.8V158 L159 L160 S168 F169 Q172V158-H162 PolarHBondContact O-N 2.77Å; V158-H162 PolarHBondContact O-ND1 3.43Å; L159-H162 CarbonylContact O-C 3.52Å; L159-H162 PolarHBondContact O-N 3.26Å; L160-H162 PolarHBondContact O-N 3.49Å; H162-S168 WeakPolarHBondContact O-CB 3.45Å; H162-F169 HydrophobicContact CB-CB 4.19Å; H162-F169 HydrophobicContact CB-CD2 3.83Å; H162-F169 AromaticContact CG-CD2 3.86Å; H162-F169 PolarHBondContact O-N 3.28Å; H162-Q172 PolarHBondContact CD2-NE2 2.9Å
163G94.4Very high96.8Very high62 Ų6243.9 Ų43.964%0.63924%0.239SC*.THydrogen-bonded Turntrans92.63.8172.600000115.5L159 S165L159-G163 PolarHBondContact O-N 2.92Å; G163-S165 PolarHBondContact O-N 3.45Å
164G94.9Very high96.7Very high25 Ų2546.3 Ų46.326%0.25827%0.265SS..SBendtrans78.113.9168.200000115.8L159L159-G164 VanDerWaalsContact O-CA 3.26Å; L159-G164 WeakPolarHBondContact O-CA 3.41Å; L159-G164 PolarHBondContact O-N 3.44Å
165S95.1Very high96.5Very high28 Ų2847.4 Ų47.420%0.19627%0.273CS..SBendtrans-148.1155.9173.878.30000111.4G163 R167 S168 F169G163-S165 PolarHBondContact O-N 3.45Å; S165-R167 VanDerWaalsContact C-N 3.3Å; S165-R167 PolarHBondContact O-N 3.32Å; S165-S168 PolarHBondContact O-N 2.9Å; S165-S168 WeakPolarHBondContact OG-CB 3.49Å; S165-S168 PolarHBondContact OG-N 3.44Å; S165-S168 PolarHBondContact OG-OG 2.97Å; S165-F169 PolarHBondContact O-N 3.14Å
166F95.5Very high96.4Very high0 Ų048.2 Ų48.20%028%0.277CS..Hα-helixtrans-63.3-38.1176179.6-123000112F69 L159 S168 F169 I170 L211 F215F69-F166 HydrophobicContact CB-CB 4.11Å; F69-F166 HydrophobicContact CB-CD1 4.39Å; F69-F166 HydrophobicContact CB-CG 4.14Å; F69-F166 HydrophobicContact CD2-CB 4.02Å; F69-F166 HydrophobicContact CD2-CD1 4.45Å; F69-F166 AromaticContact CD2-CD2 3.38Å; F69-F166 HydrophobicContact CD2-CD2 3.38Å; F69-F166 AromaticContact CD2-CE2 3.95Å; F69-F166 HydrophobicContact CD2-CE2 3.95Å; F69-F166 AromaticContact CD2-CG 3.69Å; F69-F166 HydrophobicContact CD2-CG 3.69Å; F69-F166 AromaticContact CE2-CD2 3.86Å; F69-F166 HydrophobicContact CE2-CD2 3.86Å; F69-F166 HydrophobicContact CE2-CE2 4.36Å; F69-F166 HydrophobicContact CG-CB 4.18Å; F69-F166 HydrophobicContact CG-CD2 4.33Å; F69-F166 HydrophobicContact CG-CG 4.23Å; L159-F166 HydrophobicContact CD1-CB 4.31Å; L159-F166 HydrophobicContact CD2-CB 4.4Å; L159-F166 HydrophobicContact CD2-CD2 4.31Å; F166-S168 PolarHBondContact O-N 3.18Å; F166-F169 AromaticContact CD2-CD1 4Å; F166-F169 HydrophobicContact CD2-CD1 4Å; F166-F169 HydrophobicContact CE2-CD1 4.03Å; F166-F169 HydrophobicContact CE2-CE1 4.45Å; F166-F169 PolarHBondContact O-N 2.97Å; F166-I170 HydrophobicContact CD2-CB 4.5Å; F166-I170 HydrophobicContact CE2-CB 4.03Å; F166-I170 HydrophobicContact CE2-CD1 4.14Å; F166-I170 HydrophobicContact CE2-CG1 4.22Å; F166-I170 HydrophobicContact CZ-CB 4.08Å; F166-I170 HydrophobicContact CZ-CD1 4.18Å; F166-I170 HydrophobicContact CZ-CG1 3.98Å; F166-I170 WeakPolarHBondContact O-CB 3.4Å; F166-I170 WeakPolarHBondContact O-CG2 3.39Å; F166-I170 PolarHBondContact O-N 3.26Å; F166-L211 HydrophobicContact CD1-CD1 4.42Å; F166-L211 HydrophobicContact CE1-CD1 3.73Å; F166-L211 HydrophobicContact CE1-CG 4.15Å; F166-L211 HydrophobicContact CE2-CD1 4.23Å; F166-L211 HydrophobicContact CE2-CD2 3.7Å; F166-L211 HydrophobicContact CE2-CG 4.04Å; F166-L211 HydrophobicContact CZ-CD1 3.63Å; F166-L211 HydrophobicContact CZ-CD2 3.77Å; F166-L211 HydrophobicContact CZ-CG 3.54Å; F166-F215 HydrophobicContact CD1-CD2 4.15Å; F166-F215 HydrophobicContact CE1-CB 4.07Å; F166-F215 AromaticContact CE1-CD2 3.63Å; F166-F215 HydrophobicContact CE1-CD2 3.63Å; F166-F215 HydrophobicContact CE1-CE2 4.46Å; F166-F215 HydrophobicContact CE1-CG 4.1Å
167R94.2Very high96.4Very high84 Ų8448.2 Ų48.232%0.31728%0.277SS..Hα-helixtrans-60.5-44.6176.7-169.8176-172.7-174.34.2112.1D62 L65 S165 S171 E224D62-R167 IonicContact OD1-CZ 3.76Å; D62-R167 IonicContact OD1-NH1 3.97Å; D62-R167 PolarHBondContact OD1-NH1 3.25Å; D62-R167 VanDerWaalsContact OD2-CD 3.25Å; D62-R167 WeakPolarHBondContact OD2-CD 3.47Å; D62-R167 IonicContact OD2-NH1 3.58Å; D62-R167 PolarHBondContact OD2-NH1 3.14Å; D62-R167 VanDerWaalsContact OD2-NH1 3.15Å; L65-R167 HydrophobicContact CD1-CB 4.45Å; S165-R167 VanDerWaalsContact C-N 3.3Å; S165-R167 PolarHBondContact O-N 3.32Å; R167-S171 WeakPolarHBondContact O-CB 3.26Å; R167-S171 PolarHBondContact O-N 3.48Å; R167-S171 VanDerWaalsContact O-N 3.14Å; R167-E224 IonicContact CZ-OE2 3.9Å; R167-E224 IonicContact NH2-OE2 2.74Å; R167-E224 PolarHBondContact NH2-OE2 3.05Å
168S95.4Very high96.4Very high50 Ų5044.7 Ų44.735%0.3527%0.267SS..Hα-helixtrans-63.1-47.2175.7-59.90000111.3H162 S165 F166 S171H162-S168 WeakPolarHBondContact O-CB 3.45Å; S165-S168 PolarHBondContact O-N 2.9Å; S165-S168 WeakPolarHBondContact OG-CB 3.49Å; S165-S168 PolarHBondContact OG-N 3.44Å; S165-S168 PolarHBondContact OG-OG 2.97Å; F166-S168 PolarHBondContact O-N 3.18Å; S168-S171 PolarHBondContact O-N 3.06Å; S168-S171 PolarHBondContact O-OG 2.75Å
169F97.4Very high96.4Very high0 Ų049.4 Ų49.40%029%0.286CS..Hα-helixtrans-57.1-53.5178169.6-100.7000111.8V158 L159 H162 S165 F166 S171 Q172 L183 I184 K187 I188V158-F169 HydrophobicContact CG1-CD2 4.25Å; V158-F169 HydrophobicContact CG1-CE2 3.83Å; L159-F169 HydrophobicContact CD2-CB 3.48Å; L159-F169 VanDerWaalsContact CD2-CB 3.48Å; L159-F169 HydrophobicContact CD2-CD1 4.06Å; L159-F169 HydrophobicContact CD2-CD2 4.39Å; L159-F169 HydrophobicContact CD2-CG 3.72Å; H162-F169 HydrophobicContact CB-CB 4.19Å; H162-F169 HydrophobicContact CB-CD2 3.83Å; H162-F169 AromaticContact CG-CD2 3.86Å; H162-F169 PolarHBondContact O-N 3.28Å; S165-F169 PolarHBondContact O-N 3.14Å; F166-F169 AromaticContact CD2-CD1 4Å; F166-F169 HydrophobicContact CD2-CD1 4Å; F166-F169 HydrophobicContact CE2-CD1 4.03Å; F166-F169 HydrophobicContact CE2-CE1 4.45Å; F166-F169 PolarHBondContact O-N 2.97Å; F169-S171 VanDerWaalsContact C-N 3.3Å; F169-S171 PolarHBondContact O-N 3.37Å; F169-Q172 PolarHBondContact O-N 3.25Å; F169-Q172 PolarHBondContact O-NE2 3.43Å; F169-L183 HydrophobicContact CE1-CD2 4.32Å; F169-L183 HydrophobicContact CE1-CG 4.29Å; F169-L183 HydrophobicContact CE2-CD2 4.47Å; F169-L183 HydrophobicContact CE2-CG 4.22Å; F169-L183 HydrophobicContact CZ-CD2 4.22Å; F169-L183 HydrophobicContact CZ-CG 3.82Å; F169-L183 WeakPolarHBondContact O-CD2 3.24Å; F169-I184 HydrophobicContact CE1-CG1 3.96Å; F169-K187 HydrophobicContact CE2-CB 3.75Å; F169-K187 HydrophobicContact CE2-CG 4.02Å; F169-K187 HydrophobicContact CZ-CB 3.93Å; F169-K187 HydrophobicContact CZ-CG 4.35Å; F169-I188 HydrophobicContact CE1-CD1 4.26Å; F169-I188 HydrophobicContact CZ-CD1 4.19Å; F169-I188 HydrophobicContact CZ-CG1 4.32Å
170I96.9Very high96.4Very high3 Ų349.3 Ų49.32%0.01529%0.286CS..Hα-helixtrans-72.8-21.9-172.3-15458.7000113.1F166 Q172 A173 M180 I184 F215F166-I170 HydrophobicContact CD2-CB 4.5Å; F166-I170 HydrophobicContact CE2-CB 4.03Å; F166-I170 HydrophobicContact CE2-CD1 4.14Å; F166-I170 HydrophobicContact CE2-CG1 4.22Å; F166-I170 HydrophobicContact CZ-CB 4.08Å; F166-I170 HydrophobicContact CZ-CD1 4.18Å; F166-I170 HydrophobicContact CZ-CG1 3.98Å; F166-I170 WeakPolarHBondContact O-CB 3.4Å; F166-I170 WeakPolarHBondContact O-CG2 3.39Å; F166-I170 PolarHBondContact O-N 3.26Å; I170-Q172 PolarHBondContact O-N 3.48Å; I170-Q172 VanDerWaalsContact O-N 3.11Å; I170-A173 WeakPolarHBondContact O-CB 3.49Å; I170-A173 PolarHBondContact O-N 3.37Å; I170-M180 HydrophobicContact CD1-CB 3.71Å; I170-M180 HydrophobicContact CD1-CG 3.74Å; I170-M180 HydrophobicContact CG1-CB 4.2Å; I170-M180 HydrophobicContact CG1-CE 4.26Å; I170-M180 HydrophobicContact CG1-CG 3.71Å; I170-M180 HydrophobicContact CG1-SD 3.99Å; I170-I184 HydrophobicContact CD1-CD1 3.96Å; I170-I184 HydrophobicContact CD1-CG1 4.03Å; I170-F215 HydrophobicContact CG2-CD2 4.38Å; I170-F215 HydrophobicContact CG2-CE1 4.36Å; I170-F215 HydrophobicContact CG2-CE2 3.81Å; I170-F215 HydrophobicContact CG2-CZ 3.8Å
171S95.5Very high96.4Very high71 Ų7146.9 Ų46.950%0.49727%0.274SS..Hα-helixtrans-57.4-26.517873.30000114R167 S168 F169 A173 G174R167-S171 WeakPolarHBondContact O-CB 3.26Å; R167-S171 PolarHBondContact O-N 3.48Å; R167-S171 VanDerWaalsContact O-N 3.14Å; S168-S171 PolarHBondContact O-N 3.06Å; S168-S171 PolarHBondContact O-OG 2.75Å; F169-S171 VanDerWaalsContact C-N 3.3Å; F169-S171 PolarHBondContact O-N 3.37Å; S171-A173 PolarHBondContact O-N 2.69Å; S171-G174 PolarHBondContact O-N 3.25Å
172Q96.3Very high96.4Very high108 Ų10843.1 Ų43.151%0.50526%0.256SS..THydrogen-bonded Turntrans-62.2-22.2177.3-65.7170.483.700113H162 F169 I170 G174 L183H162-Q172 PolarHBondContact CD2-NE2 2.9Å; F169-Q172 PolarHBondContact O-N 3.25Å; F169-Q172 PolarHBondContact O-NE2 3.43Å; I170-Q172 PolarHBondContact O-N 3.48Å; I170-Q172 VanDerWaalsContact O-N 3.11Å; Q172-G174 VanDerWaalsContact C-N 3.26Å; Q172-G174 PolarHBondContact O-N 3.31Å; Q172-L183 HydrophobicContact CB-CD2 3.9Å
173A96.6Very high96.5Very high6 Ų642 Ų425%0.0525%0.251CS..THydrogen-bonded Turntrans-77.4-7.4176.700000113.7I170 S171 N175 D176 K179 M180 L183I170-A173 WeakPolarHBondContact O-CB 3.49Å; I170-A173 PolarHBondContact O-N 3.37Å; S171-A173 PolarHBondContact O-N 2.69Å; A173-N175 PolarHBondContact O-N 2.9Å; A173-D176 PolarHBondContact O-N 3.3Å; A173-K179 HydrophobicContact CB-CB 3.91Å; A173-M180 HydrophobicContact CB-CB 4.14Å; A173-M180 HydrophobicContact CB-CG 3.45Å; A173-M180 VanDerWaalsContact CB-CG 3.45Å; A173-L183 HydrophobicContact CB-CD2 4.35Å
174G94.8Very high96.7Very high57 Ų5739 Ų3959%0.58822%0.221SC*.THydrogen-bonded Turntrans66.237.9173.600000114.5S171 Q172 D176S171-G174 PolarHBondContact O-N 3.25Å; Q172-G174 VanDerWaalsContact C-N 3.26Å; Q172-G174 PolarHBondContact O-N 3.31Å; G174-D176 VanDerWaalsContact C-N 3.27Å; G174-D176 PolarHBondContact O-N 3.28Å
175N94.8Very high96.9Very high77 Ų7738.5 Ų38.541%0.41221%0.213SC..THydrogen-bonded Turntrans58.231.2-178.8-67.9-10.5000114.9A173 C226 I227 T228A173-N175 PolarHBondContact O-N 2.9Å; N175-C226 WeakPolarHBondContact CB-O 3.23Å; N175-I227 CarbonylContact O-C 3.59Å; N175-I227 VanDerWaalsContact O-CA 3.31Å; N175-I227 WeakPolarHBondContact O-CA 3.46Å; N175-T228 PolarHBondContact O-N 2.68Å; N175-T228 PolarHBondContact O-OG1 3.41Å
176D97.8Very high97Very high18 Ų1842.8 Ų42.810%0.09623%0.23CC..BIsolated β-bridgetrans-112.8118.3176.2-178.6-54000109.9A173 G174 Q178 K179 M180 N229A173-D176 PolarHBondContact O-N 3.3Å; G174-D176 VanDerWaalsContact C-N 3.27Å; G174-D176 PolarHBondContact O-N 3.28Å; D176-Q178 VanDerWaalsContact C-N 3.27Å; D176-Q178 PolarHBondContact O-N 3.22Å; D176-Q178 WeakPolarHBondContact OD1-CB 3.37Å; D176-Q178 PolarHBondContact OD1-N 3.21Å; D176-K179 HydrophobicContact CB-CB 4.07Å; D176-K179 HydrophobicContact CB-CD 3.97Å; D176-K179 HydrophobicContact CB-CG 4.03Å; D176-K179 PolarHBondContact O-N 2.86Å; D176-K179 PolarHBondContact OD1-N 3.31Å; D176-K179 VanDerWaalsContact OD1-N 3.14Å; D176-M180 VanDerWaalsContact O-CG 3.24Å; D176-M180 WeakPolarHBondContact O-CG 3.31Å; D176-M180 PolarHBondContact O-N 3.41Å; D176-N229 PolarHBondContact OD2-ND2 2.85Å
177A97.9Very high97.1Very high0 Ų046.2 Ų46.20%025%0.245CC..Hα-helixtrans-59.4-35.9-174.100000113.2M180 V181 V212 I227 T228 I230A177-M180 WeakPolarHBondContact O-CB 3.48Å; A177-M180 PolarHBondContact O-N 3Å; A177-V181 WeakPolarHBondContact O-CG2 3.23Å; A177-V181 PolarHBondContact O-N 2.95Å; A177-V181 VanDerWaalsContact O-N 3.11Å; A177-V212 HydrophobicContact CB-CG1 3.94Å; A177-I227 HydrophobicContact CB-CG2 3.93Å; A177-T228 PolarHBondContact N-O 3.33Å; A177-I230 HydrophobicContact CB-CD1 4.07Å
178Q97.8Very high97.3Very high73 Ų7342.2 Ų42.234%0.34123%0.23SC..Hα-helixtrans-68.4-47178.4-176.2-179.7-3400110.3D176 M180 V181 E182 C232D176-Q178 VanDerWaalsContact C-N 3.27Å; D176-Q178 PolarHBondContact O-N 3.22Å; D176-Q178 WeakPolarHBondContact OD1-CB 3.37Å; D176-Q178 PolarHBondContact OD1-N 3.21Å; Q178-M180 PolarHBondContact O-N 3.37Å; Q178-V181 PolarHBondContact O-N 3.44Å; Q178-E182 PolarHBondContact NE2-OE1 3.02Å; Q178-E182 WeakPolarHBondContact O-CG 3.43Å; Q178-E182 PolarHBondContact O-N 3.04Å; Q178-C232 HydrophobicContact CB-CB 4.23Å; Q178-C232 PolarHBondContact N-SG 2.87Å
179K98.4Very high97.4Very high113 Ų11342.9 Ų42.949%0.49123%0.233SC..Hα-helixtrans-63.4-31.6177-64.6-177.6-172.9169.80112.2A173 D176 L183A173-K179 HydrophobicContact CB-CB 3.91Å; D176-K179 HydrophobicContact CB-CB 4.07Å; D176-K179 HydrophobicContact CB-CD 3.97Å; D176-K179 HydrophobicContact CB-CG 4.03Å; D176-K179 PolarHBondContact O-N 2.86Å; D176-K179 PolarHBondContact OD1-N 3.31Å; D176-K179 VanDerWaalsContact OD1-N 3.14Å; K179-L183 VanDerWaalsContact O-CB 3.23Å; K179-L183 WeakPolarHBondContact O-CB 3.24Å; K179-L183 PolarHBondContact O-N 3.25Å
180M98.6Very high97.4Very high1 Ų143.3 Ų43.31%0.00524%0.236CC..Hα-helixtrans-63-49.2174.2-73.2179.1178.500111.2I170 A173 D176 A177 Q178 E182 L183 I184 V212 F215 I227I170-M180 HydrophobicContact CD1-CB 3.71Å; I170-M180 HydrophobicContact CD1-CG 3.74Å; I170-M180 HydrophobicContact CG1-CB 4.2Å; I170-M180 HydrophobicContact CG1-CE 4.26Å; I170-M180 HydrophobicContact CG1-CG 3.71Å; I170-M180 HydrophobicContact CG1-SD 3.99Å; A173-M180 HydrophobicContact CB-CB 4.14Å; A173-M180 HydrophobicContact CB-CG 3.45Å; A173-M180 VanDerWaalsContact CB-CG 3.45Å; D176-M180 VanDerWaalsContact O-CG 3.24Å; D176-M180 WeakPolarHBondContact O-CG 3.31Å; D176-M180 PolarHBondContact O-N 3.41Å; A177-M180 WeakPolarHBondContact O-CB 3.48Å; A177-M180 PolarHBondContact O-N 3Å; Q178-M180 PolarHBondContact O-N 3.37Å; M180-E182 PolarHBondContact O-N 2.94Å; M180-L183 PolarHBondContact O-N 3.18Å; M180-I184 WeakPolarHBondContact O-CD1 3.4Å; M180-I184 VanDerWaalsContact O-CG1 3.26Å; M180-I184 WeakPolarHBondContact O-CG1 3.3Å; M180-I184 PolarHBondContact O-N 2.91Å; M180-V212 HydrophobicContact CB-CG1 4.13Å; M180-V212 HydrophobicContact CB-CG2 3.58Å; M180-V212 HydrophobicContact SD-CG1 4.01Å; M180-F215 HydrophobicContact CE-CD1 4.39Å; M180-F215 HydrophobicContact CE-CE1 3.9Å; M180-F215 HydrophobicContact SD-CD1 4.27Å; M180-F215 HydrophobicContact SD-CE1 4.36Å; M180-I227 HydrophobicContact CE-CD1 4.34Å; M180-I227 HydrophobicContact CE-CG1 4.47Å; M180-I227 HydrophobicContact CE-CG2 4.45Å; M180-I227 HydrophobicContact SD-CD1 4.48Å; M180-I227 HydrophobicContact SD-CG2 4.35Å
181V98.5Very high97.5Very high14 Ų1443.2 Ų43.29%0.08524%0.235CC..Hα-helixtrans-60.5-46.1175.9174.20000110.8A177 Q178 L183 I184 V185 N205 A208 Q209 V212 L233A177-V181 WeakPolarHBondContact O-CG2 3.23Å; A177-V181 PolarHBondContact O-N 2.95Å; A177-V181 VanDerWaalsContact O-N 3.11Å; Q178-V181 PolarHBondContact O-N 3.44Å; V181-L183 PolarHBondContact O-N 3.42Å; V181-I184 PolarHBondContact O-N 3.42Å; V181-V185 HydrophobicContact CG1-CG2 4.4Å; V181-V185 WeakPolarHBondContact O-CG2 3.38Å; V181-V185 PolarHBondContact O-N 3.05Å; V181-N205 HydrophobicContact CG1-CB 4.32Å; V181-A208 HydrophobicContact CG1-CB 4.13Å; V181-Q209 HydrophobicContact CG2-CG 4.39Å; V181-V212 HydrophobicContact CG2-CB 4.26Å; V181-V212 HydrophobicContact CG2-CG2 3.77Å; V181-L233 HydrophobicContact CG2-CD2 3.74Å
182E98.1Very high97.6Very high70 Ų7044.8 Ų44.833%0.32723%0.23SC..Hα-helixtrans-58.8-46.1178-71.7175.317800111.7Q178 M180 I184 V185 E186Q178-E182 PolarHBondContact NE2-OE1 3.02Å; Q178-E182 WeakPolarHBondContact O-CG 3.43Å; Q178-E182 PolarHBondContact O-N 3.04Å; M180-E182 PolarHBondContact O-N 2.94Å; E182-I184 PolarHBondContact O-N 3.34Å; E182-V185 PolarHBondContact O-N 3.04Å; E182-E186 VanDerWaalsContact O-CB 3.28Å; E182-E186 WeakPolarHBondContact O-CB 3.11Å; E182-E186 PolarHBondContact O-N 2.89Å
183L98.6Very high97.7Very high21 Ų2139.9 Ų39.911%0.1121%0.207CC..Hα-helixtrans-62.2-44.1178.4-179.666.8000112F169 Q172 A173 K179 M180 V181 E186 K187F169-L183 HydrophobicContact CE1-CD2 4.32Å; F169-L183 HydrophobicContact CE1-CG 4.29Å; F169-L183 HydrophobicContact CE2-CD2 4.47Å; F169-L183 HydrophobicContact CE2-CG 4.22Å; F169-L183 HydrophobicContact CZ-CD2 4.22Å; F169-L183 HydrophobicContact CZ-CG 3.82Å; F169-L183 WeakPolarHBondContact O-CD2 3.24Å; Q172-L183 HydrophobicContact CB-CD2 3.9Å; A173-L183 HydrophobicContact CB-CD2 4.35Å; K179-L183 VanDerWaalsContact O-CB 3.23Å; K179-L183 WeakPolarHBondContact O-CB 3.24Å; K179-L183 PolarHBondContact O-N 3.25Å; M180-L183 PolarHBondContact O-N 3.18Å; V181-L183 PolarHBondContact O-N 3.42Å; L183-E186 PolarHBondContact O-N 2.94Å; L183-K187 HydrophobicContact CD1-CG 3.77Å; L183-K187 HydrophobicContact CG-CG 4.49Å; L183-K187 WeakPolarHBondContact O-CB 3.22Å; L183-K187 WeakPolarHBondContact O-CG 2.95Å; L183-K187 PolarHBondContact O-N 2.95Å
184I98.6Very high97.7Very high0 Ų042.6 Ų42.60%022%0.219CC..Hα-helixtrans-60-50.9177.7-70.1159.6000110.1F169 I170 M180 V181 E182 E186 K187 I188 Y191 A208 L211 V212F169-I184 HydrophobicContact CE1-CG1 3.96Å; I170-I184 HydrophobicContact CD1-CD1 3.96Å; I170-I184 HydrophobicContact CD1-CG1 4.03Å; M180-I184 WeakPolarHBondContact O-CD1 3.4Å; M180-I184 VanDerWaalsContact O-CG1 3.26Å; M180-I184 WeakPolarHBondContact O-CG1 3.3Å; M180-I184 PolarHBondContact O-N 2.91Å; V181-I184 PolarHBondContact O-N 3.42Å; E182-I184 PolarHBondContact O-N 3.34Å; I184-E186 VanDerWaalsContact C-N 3.34Å; I184-E186 PolarHBondContact O-N 3.49Å; I184-K187 PolarHBondContact O-N 2.88Å; I184-I188 WeakPolarHBondContact O-CA 3.37Å; I184-I188 WeakPolarHBondContact O-CB 3.45Å; I184-I188 PolarHBondContact O-N 3.38Å; I184-Y191 HydrophobicContact CG2-CD1 3.71Å; I184-Y191 HydrophobicContact CG2-CD2 3.87Å; I184-Y191 HydrophobicContact CG2-CE1 4.18Å; I184-Y191 HydrophobicContact CG2-CE2 4.33Å; I184-Y191 HydrophobicContact CG2-CG 3.51Å; I184-A208 HydrophobicContact CB-CB 4.29Å; I184-A208 HydrophobicContact CG2-CB 3.78Å; I184-L211 HydrophobicContact CD1-CB 4.46Å; I184-L211 HydrophobicContact CD1-CD2 3.86Å; I184-L211 HydrophobicContact CD1-CG 4.16Å; I184-L211 HydrophobicContact CG1-CD2 4.34Å; I184-V212 HydrophobicContact CD1-CG2 3.63Å
185V97.9Very high97.8Very high15 Ų1540.5 Ų40.59%0.09120%0.196CC..Hα-helixtrans-68.1-33-177.2173.10000112.3V181 E182 R192 N205 A208V181-V185 HydrophobicContact CG1-CG2 4.4Å; V181-V185 WeakPolarHBondContact O-CG2 3.38Å; V181-V185 PolarHBondContact O-N 3.05Å; E182-V185 PolarHBondContact O-N 3.04Å; V185-R192 HydrophobicContact CG1-CB 4Å; V185-R192 HydrophobicContact CG1-CG 3.89Å; V185-N205 HydrophobicContact CG2-CB 4.2Å; V185-A208 HydrophobicContact CG2-CB 3.89Å
186E97.5Very high98Very high117 Ų11740.4 Ų40.455%0.54720%0.199SC..Hα-helixtrans-70.2-47.8176.7-170.4-166.5135.800111.6E182 L183 I184E182-E186 VanDerWaalsContact O-CB 3.28Å; E182-E186 WeakPolarHBondContact O-CB 3.11Å; E182-E186 PolarHBondContact O-N 2.89Å; L183-E186 PolarHBondContact O-N 2.94Å; I184-E186 VanDerWaalsContact C-N 3.34Å; I184-E186 PolarHBondContact O-N 3.49Å
187K98.3Very high98Very high73 Ų7339.9 Ų39.932%0.31720%0.195SC..Hα-helixtrans-91.5-24.1-170.1-60-55.2-170.6-1560114.4V158 F169 L183 I184 P189V158-K187 HydrophobicContact CG1-CB 3.96Å; V158-K187 VanDerWaalsContact CG2-O 3.3Å; V158-K187 WeakPolarHBondContact CG2-O 3.47Å; F169-K187 HydrophobicContact CE2-CB 3.75Å; F169-K187 HydrophobicContact CE2-CG 4.02Å; F169-K187 HydrophobicContact CZ-CB 3.93Å; F169-K187 HydrophobicContact CZ-CG 4.35Å; L183-K187 HydrophobicContact CD1-CG 3.77Å; L183-K187 HydrophobicContact CG-CG 4.49Å; L183-K187 WeakPolarHBondContact O-CB 3.22Å; L183-K187 WeakPolarHBondContact O-CG 2.95Å; L183-K187 PolarHBondContact O-N 2.95Å; I184-K187 PolarHBondContact O-N 2.88Å; K187-P189 WeakPolarHBondContact O-CD 3.45Å
188I98.3Very high97.9Very high0 Ų044.9 Ų44.90%022%0.219CC..  trans-120.585.8-179.6-47.2176000108.5F69 E154 V158 F169 I184 S190 Y191F69-I188 HydrophobicContact CE2-CD1 4.08Å; F69-I188 HydrophobicContact CZ-CD1 4.21Å; E154-I188 HydrophobicContact CG-CG2 4.33Å; E154-I188 WeakPolarHBondContact OE2-CG2 3.45Å; V158-I188 HydrophobicContact CB-CG1 4.1Å; V158-I188 HydrophobicContact CG1-CD1 4.46Å; V158-I188 HydrophobicContact CG1-CG1 3.81Å; V158-I188 HydrophobicContact CG2-CG1 4.25Å; F169-I188 HydrophobicContact CE1-CD1 4.26Å; F169-I188 HydrophobicContact CZ-CD1 4.19Å; F169-I188 HydrophobicContact CZ-CG1 4.32Å; I184-I188 WeakPolarHBondContact O-CA 3.37Å; I184-I188 WeakPolarHBondContact O-CB 3.45Å; I184-I188 PolarHBondContact O-N 3.38Å; I188-S190 PolarHBondContact O-N 3.34Å; I188-Y191 HydrophobicContact CB-CD2 3.78Å; I188-Y191 HydrophobicContact CB-CE2 4.37Å; I188-Y191 HydrophobicContact CD1-CD2 4.47Å; I188-Y191 HydrophobicContact CD1-CE2 4.32Å; I188-Y191 HydrophobicContact CG2-CD2 3.53Å; I188-Y191 HydrophobicContact CG2-CE2 3.9Å; I188-Y191 WeakPolarHBondContact O-CB 3.4Å; I188-Y191 PolarHBondContact O-N 2.97Å
189P96.8Very high97.8Very high63 Ų6344.8 Ų44.841%0.40924%0.237SC..G310 helixtrans-53.8-30.3-171-30.135.9000115.6E154 K187 Y191 R192E154-P189 WeakPolarHBondContact OE1-CD 3.43Å; K187-P189 WeakPolarHBondContact O-CD 3.45Å; P189-Y191 PolarHBondContact O-N 2.96Å; P189-Y191 VanDerWaalsContact O-N 3.15Å; P189-R192 WeakPolarHBondContact O-CB 3.09Å; P189-R192 PolarHBondContact O-N 3.3Å
190S98.1Very high97.8Very high10 Ų1043.7 Ų43.77%0.0723%0.23CC..G310 helixtrans-58.6-25.6175.7570000113.4V151 E154 I188 R192 R207 Y338V151-S190 VanDerWaalsContact CG1-CB 3.49Å; E154-S190 WeakPolarHBondContact OE2-CB 3.48Å; E154-S190 PolarHBondContact OE2-N 3.04Å; E154-S190 PolarHBondContact OE2-OG 2.88Å; I188-S190 PolarHBondContact O-N 3.34Å; S190-R192 VanDerWaalsContact C-N 3.27Å; S190-R192 PolarHBondContact O-N 2.62Å; S190-R207 VanDerWaalsContact C-NH2 3.31Å; S190-R207 PolarHBondContact O-NH2 2.99Å; S190-Y338 WeakPolarHBondContact O-CE1 3.27Å
191Y98.4Very high97.8Very high1 Ų147.6 Ų47.60%0.00425%0.247CC..G310 helixtrans-75.8-8.5175.6-80.1-91.8000114.7T73 I184 I188 P189 D193 R207 A208 L211T73-Y191 WeakPolarHBondContact CA-OH 3.28Å; T73-Y191 HydrophobicContact CG2-CE2 4.42Å; T73-Y191 PolarHBondContact N-OH 2.88Å; T73-Y191 PolarHBondContact OG1-OH 3.36Å; I184-Y191 HydrophobicContact CG2-CD1 3.71Å; I184-Y191 HydrophobicContact CG2-CD2 3.87Å; I184-Y191 HydrophobicContact CG2-CE1 4.18Å; I184-Y191 HydrophobicContact CG2-CE2 4.33Å; I184-Y191 HydrophobicContact CG2-CG 3.51Å; I188-Y191 HydrophobicContact CB-CD2 3.78Å; I188-Y191 HydrophobicContact CB-CE2 4.37Å; I188-Y191 HydrophobicContact CD1-CD2 4.47Å; I188-Y191 HydrophobicContact CD1-CE2 4.32Å; I188-Y191 HydrophobicContact CG2-CD2 3.53Å; I188-Y191 HydrophobicContact CG2-CE2 3.9Å; I188-Y191 WeakPolarHBondContact O-CB 3.4Å; I188-Y191 PolarHBondContact O-N 2.97Å; P189-Y191 PolarHBondContact O-N 2.96Å; P189-Y191 VanDerWaalsContact O-N 3.15Å; Y191-D193 VanDerWaalsContact C-N 3.34Å; Y191-D193 PolarHBondContact O-N 3.31Å; Y191-R207 HydrophobicContact CD1-CB 3.6Å; Y191-R207 HydrophobicContact CE1-CB 3.52Å; Y191-A208 HydrophobicContact CD1-CB 3.89Å; Y191-L211 HydrophobicContact CE1-CB 4.48Å; Y191-L211 HydrophobicContact CE1-CD2 4.18Å
192R97.4Very high97.8Very high104 Ų10446.9 Ų46.939%0.39224%0.243SC..  trans-77.379.8-176.6-167.7-178.2-58.6167.24.6112.2V185 P189 S190 E194 Y338V185-R192 HydrophobicContact CG1-CB 4Å; V185-R192 HydrophobicContact CG1-CG 3.89Å; P189-R192 WeakPolarHBondContact O-CB 3.09Å; P189-R192 PolarHBondContact O-N 3.3Å; S190-R192 VanDerWaalsContact C-N 3.27Å; S190-R192 PolarHBondContact O-N 2.62Å; R192-E194 VanDerWaalsContact CD-OE1 3.26Å; R192-E194 WeakPolarHBondContact CD-OE1 3.29Å; R192-E194 VanDerWaalsContact CG-CD 3.42Å; R192-E194 HydrophobicContact CG-CG 3.8Å; R192-E194 WeakPolarHBondContact CG-OE1 3.42Å; R192-E194 PolarHBondContact O-N 3.46Å; R192-Y338 WeakPolarHBondContact O-CE1 3.01Å
193D97.8Very high97.8Very high4 Ų443.7 Ų43.72%0.02123%0.228CC..  trans-86.388.9178.7173.618.9000109.8Y191 S203 F204 N205 K206 R278 Y338Y191-D193 VanDerWaalsContact C-N 3.34Å; Y191-D193 PolarHBondContact O-N 3.31Å; D193-S203 WeakPolarHBondContact O-CA 3.45Å; D193-F204 PolarHBondContact O-N 3.44Å; D193-F204 WeakPolarHBondContact OD2-CB 3.31Å; D193-N205 PolarHBondContact O-N 3.34Å; D193-N205 PolarHBondContact OD2-N 2.93Å; D193-K206 PolarHBondContact OD2-N 2.98Å; D193-R278 IonicContact OD1-CZ 3.73Å; D193-R278 IonicContact OD1-NH1 2.79Å; D193-R278 PolarHBondContact OD1-NH1 2.76Å; D193-R278 IonicContact OD1-NH2 2.95Å; D193-R278 IonicContact OD2-CZ 3.17Å; D193-R278 IonicContact OD2-NH1 3.24Å; D193-R278 IonicContact OD2-NH2 2.7Å; D193-R278 PolarHBondContact OD2-NH2 3.49Å; D193-Y338 HydrophobicContact CB-CD1 3.64Å; D193-Y338 HydrophobicContact CB-CE1 4.29Å; D193-Y338 HydrophobicContact CB-CG 3.84Å
194E97.1Very high97.8Very high64 Ų6442.7 Ų42.730%0.29922%0.223SC..EExtended strand (participates in β ladder)trans-126.1149-175.3-69.4176.2-16900112P4 R192 I202P4-E194 HydrophobicContact CB-CG 4.37Å; P4-E194 HydrophobicContact CG-CG 4.24Å; P4-E194 WeakPolarHBondContact CG-OE1 3.49Å; R192-E194 VanDerWaalsContact CD-OE1 3.26Å; R192-E194 WeakPolarHBondContact CD-OE1 3.29Å; R192-E194 VanDerWaalsContact CG-CD 3.42Å; R192-E194 HydrophobicContact CG-CG 3.8Å; R192-E194 WeakPolarHBondContact CG-OE1 3.42Å; R192-E194 PolarHBondContact O-N 3.46Å; E194-I202 VanDerWaalsContact CA-O 3.31Å; E194-I202 WeakPolarHBondContact CA-O 3.26Å
195A97.1Very high97.7Very high12 Ų1243.3 Ų43.310%0.09923%0.226CC..EExtended strand (participates in β ladder)trans-139.1170.1174.300000111.4I202 V275A195-I202 HydrophobicContact CB-CD1 4.24Å; A195-I202 HydrophobicContact CB-CG1 4.01Å; A195-I202 PolarHBondContact N-O 3.22Å; A195-I202 WeakPolarHBondContact O-CG1 3.43Å; A195-I202 PolarHBondContact O-N 3.25Å; A195-V275 HydrophobicContact CB-CG2 3.94Å
196T97.9Very high97.7Very high76 Ų7642.7 Ų42.747%0.46622%0.222SC..EExtended strand (participates in β ladder)trans-110.5122.4167.4-570000108.6R200 K201T196-R200 CarbonylContact C-O 3.41Å; T196-R200 WeakPolarHBondContact CA-O 3.39Å; T196-K201 WeakPolarHBondContact OG1-CE 3.39Å; T196-K201 PolarHBondContact OG1-NZ 2.87Å
197Y98.2Very high97.7Very high6 Ų637.3 Ų37.32%0.02420%0.197CC..EExtended strand (participates in β ladder)trans-127.9124.9178.7-173.4-98.5000110.2F13 V14 R17 G199 R200 R272 V275 E276F13-Y197 HydrophobicContact CD1-CD1 4.25Å; F13-Y197 HydrophobicContact CE1-CD1 4Å; V14-Y197 HydrophobicContact CB-CE1 4.45Å; V14-Y197 HydrophobicContact CG1-CE1 4.41Å; V14-Y197 HydrophobicContact CG2-CD1 3.89Å; V14-Y197 HydrophobicContact CG2-CE1 4.29Å; V14-Y197 HydrophobicContact CG2-CG 4.09Å; R17-Y197 HydrophobicContact CB-CE1 3.92Å; R17-Y197 PolarHBondContact O-OH 3.49Å; Y197-G199 PolarHBondContact O-N 2.94Å; Y197-G199 VanDerWaalsContact O-N 3.12Å; Y197-R200 PolarHBondContact N-O 3.4Å; Y197-R200 PolarHBondContact O-N 3.15Å; Y197-R272 HydrophobicContact CD2-CG 4.39Å; Y197-R272 HydrophobicContact CE2-CG 3.64Å; Y197-V275 HydrophobicContact CD2-CB 4.03Å; Y197-V275 HydrophobicContact CD2-CG1 3.41Å; Y197-V275 VanDerWaalsContact CD2-CG1 3.41Å; Y197-V275 HydrophobicContact CE2-CG1 4.08Å; Y197-V275 HydrophobicContact CG-CG1 3.84Å; Y197-E276 HydrophobicContact CE2-CG 3.84Å; Y197-E276 WeakPolarHBondContact OH-CG 3.46Å; Y197-E276 PolarHBondContact OH-OE1 3.45Å
198E96.6Very high97.7Very high106 Ų10633.8 Ų33.850%0.49518%0.182SC..THydrogen-bonded Turntrans47.443.6-178.4-67.4-73.9166.900112.1K19 R200K19-E198 IonicContact NZ-OE1 2.79Å; K19-E198 PolarHBondContact NZ-OE1 2.87Å; E198-R200 VanDerWaalsContact C-N 3.3Å; E198-R200 PolarHBondContact O-N 2.81Å
199G96.1Very high97.7Very high71 Ų7134 Ų3473%0.73218%0.182SC*.THydrogen-bonded Turntrans80.5-6.4179.100000116.1Y197Y197-G199 PolarHBondContact O-N 2.94Å; Y197-G199 VanDerWaalsContact O-N 3.12Å
200R97.5Very high97.8Very high89 Ų8931.7 Ų31.734%0.33617%0.167SC..EExtended strand (participates in β ladder)trans-104.3141.6-177.8-164.6169.2-167-179.91.2112.4E2 L5 F13 T196 Y197 E198E2-R200 IonicContact OE1-NE 4Å; L5-R200 VanDerWaalsContact CD2-NH2 3.3Å; F13-R200 HydrophobicContact CE1-CB 3.71Å; F13-R200 HydrophobicContact CE1-CG 4.4Å; F13-R200 HydrophobicContact CZ-CB 3.72Å; F13-R200 HydrophobicContact CZ-CG 4.34Å; T196-R200 CarbonylContact C-O 3.41Å; T196-R200 WeakPolarHBondContact CA-O 3.39Å; Y197-R200 PolarHBondContact N-O 3.4Å; Y197-R200 PolarHBondContact O-N 3.15Å; E198-R200 VanDerWaalsContact C-N 3.3Å; E198-R200 PolarHBondContact O-N 2.81Å
201K98.1Very high97.8Very high83 Ų8331.2 Ų31.236%0.36116%0.163SC..EExtended strand (participates in β ladder)trans-75.7127170.8-72.3-65.5-173.4-177.10110.6P4 L5 T196P4-K201 WeakPolarHBondContact CA-O 3.45Å; P4-K201 HydrophobicContact CB-CB 4.07Å; L5-K201 PolarHBondContact N-O 3.34Å; T196-K201 WeakPolarHBondContact OG1-CE 3.39Å; T196-K201 PolarHBondContact OG1-NZ 2.87Å
202I98.5Very high97.8Very high0 Ų031.2 Ų31.20%016%0.163CC..EExtended strand (participates in β ladder)trans-126.3159.4178.960.3164.9000109.8L5 S10 F13 V14 E194 A195 F204 V275L5-I202 HydrophobicContact CD1-CG2 4.3Å; S10-I202 WeakPolarHBondContact OG-CB 3.47Å; F13-I202 HydrophobicContact CD1-CG2 4.14Å; V14-I202 HydrophobicContact CG2-CD1 3.79Å; E194-I202 VanDerWaalsContact CA-O 3.31Å; E194-I202 WeakPolarHBondContact CA-O 3.26Å; A195-I202 HydrophobicContact CB-CD1 4.24Å; A195-I202 HydrophobicContact CB-CG1 4.01Å; A195-I202 PolarHBondContact N-O 3.22Å; A195-I202 WeakPolarHBondContact O-CG1 3.43Å; A195-I202 PolarHBondContact O-N 3.25Å; I202-F204 HydrophobicContact CD1-CE2 4.23Å; I202-F204 HydrophobicContact CD1-CZ 3.96Å; I202-V275 HydrophobicContact CD1-CG1 3.45Å; I202-V275 VanDerWaalsContact CD1-CG1 3.45Å
203S98.2Very high97.7Very high2 Ų226.2 Ų26.21%0.01415%0.145CC..EExtended strand (participates in β ladder)trans-134.6148.617469.50000111.4L5 P7 S10 D193 N205L5-S203 WeakPolarHBondContact O-CB 3.43Å; L5-S203 PolarHBondContact O-N 2.96Å; L5-S203 PolarHBondContact O-OG 3.48Å; P7-S203 WeakPolarHBondContact CA-O 3.43Å; S10-S203 VanDerWaalsContact CB-O 3.25Å; S10-S203 WeakPolarHBondContact CB-O 3.45Å; S10-S203 PolarHBondContact OG-N 3.15Å; S10-S203 PolarHBondContact OG-O 3.11Å; S10-S203 VanDerWaalsContact OG-O 3.08Å; D193-S203 WeakPolarHBondContact O-CA 3.45Å; S203-N205 PolarHBondContact OG-ND2 3.11Å
204F98.4Very high97.6Very high1 Ų126.3 Ų26.30%0.00415%0.145CC..  trans-113.7-32.1171.4-62.7-58.1000111.2D193 I202 K206 Q209 V275 R278 I282D193-F204 PolarHBondContact O-N 3.44Å; D193-F204 WeakPolarHBondContact OD2-CB 3.31Å; I202-F204 HydrophobicContact CD1-CE2 4.23Å; I202-F204 HydrophobicContact CD1-CZ 3.96Å; F204-K206 PolarHBondContact O-N 3.23Å; F204-Q209 PolarHBondContact O-NE2 3.39Å; F204-V275 HydrophobicContact CE2-CG1 4.44Å; F204-V275 HydrophobicContact CE2-CG2 4.48Å; F204-V275 HydrophobicContact CZ-CG1 4.06Å; F204-R278 HydrophobicContact CD1-CB 4.44Å; F204-R278 HydrophobicContact CD2-CB 4.46Å; F204-R278 HydrophobicContact CE1-CB 3.98Å; F204-R278 HydrophobicContact CE2-CB 3.99Å; F204-R278 HydrophobicContact CZ-CB 3.7Å; F204-I282 HydrophobicContact CD1-CD1 3.47Å; F204-I282 VanDerWaalsContact CD1-CD1 3.47Å; F204-I282 HydrophobicContact CE1-CD1 4.02Å; F204-I282 HydrophobicContact CG-CD1 4.49Å
205N97.9Very high97.5Very high12 Ų1223.5 Ų23.56%0.06413%0.132CC..  trans47.235.4175.8-63.9-31.1000113.2P7 V181 V185 D193 S203 R207 A208 Q209P7-N205 HydrophobicContact CG-CB 4.29Å; V181-N205 HydrophobicContact CG1-CB 4.32Å; V185-N205 HydrophobicContact CG2-CB 4.2Å; D193-N205 PolarHBondContact O-N 3.34Å; D193-N205 PolarHBondContact OD2-N 2.93Å; S203-N205 PolarHBondContact OG-ND2 3.11Å; N205-R207 PolarHBondContact O-N 2.95Å; N205-A208 HydrophobicContact CB-CB 4.35Å; N205-A208 WeakPolarHBondContact O-CB 3.43Å; N205-A208 PolarHBondContact O-N 2.95Å; N205-Q209 WeakPolarHBondContact O-CG 3.45Å; N205-Q209 PolarHBondContact O-N 3.36Å
206K97.7Very high97.4Very high3 Ų323.8 Ų23.81%0.01313%0.13CC..Hα-helixtrans-52.8-53.8-166.8176.6-90.1-165.8177.90112.4N75 D193 F204 A208 Q209 I210 F236N75-K206 PolarHBondContact O-NZ 2.92Å; N75-K206 PolarHBondContact OD1-NZ 2.94Å; D193-K206 PolarHBondContact OD2-N 2.98Å; F204-K206 PolarHBondContact O-N 3.23Å; K206-A208 VanDerWaalsContact C-N 3.3Å; K206-A208 PolarHBondContact O-N 2.88Å; K206-Q209 PolarHBondContact O-N 3.31Å; K206-I210 HydrophobicContact CD-CD1 3.72Å; K206-I210 HydrophobicContact CG-CD1 4.4Å; K206-I210 WeakPolarHBondContact O-CG1 3.5Å; K206-I210 PolarHBondContact O-N 3.42Å; K206-F236 HydrophobicContact CG-CB 4.14Å
207R97.9Very high97.2Very high3 Ų320.4 Ų20.41%0.01111%0.11CC..Hα-helixtrans-64.9-32.9-179.4-66.8-173.9-60.2171.8-8.5112.9T73 F76 S190 Y191 N205 L211 I337 Y338T73-R207 PolarHBondContact O-NH1 3.13Å; F76-R207 VanDerWaalsContact CD1-NH1 3.33Å; S190-R207 VanDerWaalsContact C-NH2 3.31Å; S190-R207 PolarHBondContact O-NH2 2.99Å; Y191-R207 HydrophobicContact CD1-CB 3.6Å; Y191-R207 HydrophobicContact CE1-CB 3.52Å; N205-R207 PolarHBondContact O-N 2.95Å; R207-L211 WeakPolarHBondContact O-CB 3.39Å; R207-L211 PolarHBondContact O-N 3.3Å; R207-I337 PolarHBondContact NE-O 3.11Å; R207-I337 PolarHBondContact NH1-O 3.48Å; R207-I337 PolarHBondContact NH2-O 2.93Å; R207-Y338 WeakPolarHBondContact CG-O 3.43Å
208A98.4Very high96.9Very high0 Ų020.1 Ų20.10%011%0.109CC..Hα-helixtrans-70.8-40.4179.200000110.3V181 I184 V185 Y191 N205 K206 L211 V212V181-A208 HydrophobicContact CG1-CB 4.13Å; I184-A208 HydrophobicContact CB-CB 4.29Å; I184-A208 HydrophobicContact CG2-CB 3.78Å; V185-A208 HydrophobicContact CG2-CB 3.89Å; Y191-A208 HydrophobicContact CD1-CB 3.89Å; N205-A208 HydrophobicContact CB-CB 4.35Å; N205-A208 WeakPolarHBondContact O-CB 3.43Å; N205-A208 PolarHBondContact O-N 2.95Å; K206-A208 VanDerWaalsContact C-N 3.3Å; K206-A208 PolarHBondContact O-N 2.88Å; A208-L211 PolarHBondContact O-N 3.12Å; A208-V212 WeakPolarHBondContact O-CG2 3.4Å; A208-V212 PolarHBondContact O-N 3.17Å; A208-V212 VanDerWaalsContact O-N 3.13Å
209Q98.5Very high96.7Very high3 Ų315.7 Ų15.71%0.0149%0.088CC..Hα-helixtrans-63.8-43.2174.5-63.4-165.386.500112V181 F204 N205 K206 V212 A213 L233 T234 F236V181-Q209 HydrophobicContact CG2-CG 4.39Å; F204-Q209 PolarHBondContact O-NE2 3.39Å; N205-Q209 WeakPolarHBondContact O-CG 3.45Å; N205-Q209 PolarHBondContact O-N 3.36Å; K206-Q209 PolarHBondContact O-N 3.31Å; Q209-V212 PolarHBondContact O-N 2.89Å; Q209-A213 WeakPolarHBondContact O-CB 3.29Å; Q209-A213 PolarHBondContact O-N 3.23Å; Q209-L233 HydrophobicContact CB-CD2 4.23Å; Q209-L233 HydrophobicContact CG-CD2 4.24Å; Q209-T234 PolarHBondContact NE2-OG1 2.98Å; Q209-T234 PolarHBondContact OE1-OG1 3.41Å; Q209-F236 HydrophobicContact CB-CD1 3.76Å; Q209-F236 HydrophobicContact CB-CE1 3.67Å
210I97.3Very high96.4Very high15 Ų1516.4 Ų16.48%0.0777%0.072CC..Hα-helixtrans-59.4-50.5173.9-69.9179.5000110.6D72 K206 V212 A213 D214 F236D72-I210 HydrophobicContact CB-CG2 4.4Å; D72-I210 VanDerWaalsContact CG-CG2 3.49Å; D72-I210 VanDerWaalsContact OD1-CG2 3.29Å; D72-I210 WeakPolarHBondContact OD1-CG2 3.45Å; K206-I210 HydrophobicContact CD-CD1 3.72Å; K206-I210 HydrophobicContact CG-CD1 4.4Å; K206-I210 WeakPolarHBondContact O-CG1 3.5Å; K206-I210 PolarHBondContact O-N 3.42Å; I210-V212 PolarHBondContact O-N 3.39Å; I210-A213 PolarHBondContact O-N 3.12Å; I210-D214 WeakPolarHBondContact O-CB 3.42Å; I210-D214 PolarHBondContact O-N 2.81Å; I210-F236 HydrophobicContact CD1-CB 3.97Å; I210-F236 HydrophobicContact CD1-CD2 4.11Å; I210-F236 HydrophobicContact CD1-CG 4.05Å; I210-F236 HydrophobicContact CG1-CB 3.84Å; I210-F236 HydrophobicContact CG1-CD1 3.79Å; I210-F236 HydrophobicContact CG1-CD2 3.46Å; I210-F236 VanDerWaalsContact CG1-CD2 3.46Å; I210-F236 HydrophobicContact CG1-CE1 4.25Å; I210-F236 HydrophobicContact CG1-CE2 3.95Å; I210-F236 HydrophobicContact CG1-CG 3.39Å; I210-F236 HydrophobicContact CG1-CZ 4.33Å
211L98.1Very high96Very high0 Ų015.4 Ų15.40%08%0.083CC..Hα-helixtrans-56.7-37.9-178.6177.857000112.3V68 F69 D72 F166 I184 Y191 R207 A208 F215V68-L211 HydrophobicContact CG1-CD1 3.85Å; F69-L211 HydrophobicContact CB-CD1 4.47Å; F69-L211 HydrophobicContact CD2-CD1 4.3Å; F69-L211 HydrophobicContact CD2-CD2 3.94Å; F69-L211 HydrophobicContact CE2-CD2 4.21Å; D72-L211 HydrophobicContact CB-CB 4.21Å; D72-L211 HydrophobicContact CB-CD1 4.25Å; D72-L211 WeakPolarHBondContact OD2-CA 3.23Å; F166-L211 HydrophobicContact CD1-CD1 4.42Å; F166-L211 HydrophobicContact CE1-CD1 3.73Å; F166-L211 HydrophobicContact CE1-CG 4.15Å; F166-L211 HydrophobicContact CE2-CD1 4.23Å; F166-L211 HydrophobicContact CE2-CD2 3.7Å; F166-L211 HydrophobicContact CE2-CG 4.04Å; F166-L211 HydrophobicContact CZ-CD1 3.63Å; F166-L211 HydrophobicContact CZ-CD2 3.77Å; F166-L211 HydrophobicContact CZ-CG 3.54Å; I184-L211 HydrophobicContact CD1-CB 4.46Å; I184-L211 HydrophobicContact CD1-CD2 3.86Å; I184-L211 HydrophobicContact CD1-CG 4.16Å; I184-L211 HydrophobicContact CG1-CD2 4.34Å; Y191-L211 HydrophobicContact CE1-CB 4.48Å; Y191-L211 HydrophobicContact CE1-CD2 4.18Å; R207-L211 WeakPolarHBondContact O-CB 3.39Å; R207-L211 PolarHBondContact O-N 3.3Å; A208-L211 PolarHBondContact O-N 3.12Å; L211-F215 WeakPolarHBondContact O-CB 3.21Å; L211-F215 PolarHBondContact O-N 3.24Å
212V98.1Very high95.6Very high1 Ų114 Ų141%0.0068%0.076CC..Hα-helixtrans-72.3-40.4175.2176.50000112A177 M180 V181 I184 A208 Q209 I210 W216 L233A177-V212 HydrophobicContact CB-CG1 3.94Å; M180-V212 HydrophobicContact CB-CG1 4.13Å; M180-V212 HydrophobicContact CB-CG2 3.58Å; M180-V212 HydrophobicContact SD-CG1 4.01Å; V181-V212 HydrophobicContact CG2-CB 4.26Å; V181-V212 HydrophobicContact CG2-CG2 3.77Å; I184-V212 HydrophobicContact CD1-CG2 3.63Å; A208-V212 WeakPolarHBondContact O-CG2 3.4Å; A208-V212 PolarHBondContact O-N 3.17Å; A208-V212 VanDerWaalsContact O-N 3.13Å; Q209-V212 PolarHBondContact O-N 2.89Å; I210-V212 PolarHBondContact O-N 3.39Å; V212-W216 WeakPolarHBondContact O-CB 3.19Å; V212-W216 PolarHBondContact O-N 3.12Å; V212-L233 HydrophobicContact CB-CD1 4.45Å; V212-L233 HydrophobicContact CG1-CD1 4.16Å; V212-L233 HydrophobicContact CG1-CD2 4.38Å
213A96.4Very high95Very high0 Ų017.3 Ų17.30%011%0.11CC..Hα-helixtrans-66.3-41.2178.100000112.6Q209 I210 W216 A217 L233 F236 A309 F313Q209-A213 WeakPolarHBondContact O-CB 3.29Å; Q209-A213 PolarHBondContact O-N 3.23Å; I210-A213 PolarHBondContact O-N 3.12Å; A213-W216 WeakPolarHBondContact O-CB 3.14Å; A213-W216 PolarHBondContact O-N 3.42Å; A213-A217 WeakPolarHBondContact O-CB 3.42Å; A213-A217 PolarHBondContact O-N 3.4Å; A213-L233 HydrophobicContact CB-CD1 3.92Å; A213-F236 HydrophobicContact CB-CE1 4.32Å; A213-F236 HydrophobicContact CB-CE2 4.21Å; A213-F236 HydrophobicContact CB-CZ 3.48Å; A213-F236 VanDerWaalsContact CB-CZ 3.48Å; A213-A309 HydrophobicContact CB-CB 4.42Å; A213-F313 HydrophobicContact CB-CE1 4.37Å; A213-F313 HydrophobicContact CB-CZ 3.92Å
214D95.6Very high94.5Very high5 Ų520.9 Ų20.93%0.02713%0.126CC..Hα-helixtrans-71.9-39.4178.6-79.723.7000110.9W49 V68 I210 W216 A217 V218W49-D214 VanDerWaalsContact CD1-CG 3.43Å; W49-D214 PolarHBondContact NE1-OD1 3.47Å; W49-D214 PolarHBondContact NE1-OD2 2.89Å; V68-D214 HydrophobicContact CG1-CB 3.55Å; V68-D214 HydrophobicContact CG2-CB 4.21Å; I210-D214 WeakPolarHBondContact O-CB 3.42Å; I210-D214 PolarHBondContact O-N 2.81Å; D214-W216 VanDerWaalsContact C-N 3.34Å; D214-W216 PolarHBondContact O-N 3.27Å; D214-A217 PolarHBondContact O-N 2.79Å; D214-V218 WeakPolarHBondContact O-CG2 3.43Å; D214-V218 PolarHBondContact O-N 3.22Å
215F95.6Very high93.4Very high5 Ų521.2 Ų21.22%0.02213%0.13CC..Hα-helixtrans-56.4-49.2168.1176.6-97.1000111.1L65 F166 I170 M180 L211 A217 V218 M219 I227L65-F215 HydrophobicContact CD1-CD2 4.46Å; L65-F215 HydrophobicContact CD1-CE2 4.04Å; L65-F215 HydrophobicContact CD2-CD2 3.66Å; L65-F215 HydrophobicContact CD2-CE2 4.01Å; F166-F215 HydrophobicContact CD1-CD2 4.15Å; F166-F215 HydrophobicContact CE1-CB 4.07Å; F166-F215 AromaticContact CE1-CD2 3.63Å; F166-F215 HydrophobicContact CE1-CD2 3.63Å; F166-F215 HydrophobicContact CE1-CE2 4.46Å; F166-F215 HydrophobicContact CE1-CG 4.1Å; I170-F215 HydrophobicContact CG2-CD2 4.38Å; I170-F215 HydrophobicContact CG2-CE1 4.36Å; I170-F215 HydrophobicContact CG2-CE2 3.81Å; I170-F215 HydrophobicContact CG2-CZ 3.8Å; M180-F215 HydrophobicContact CE-CD1 4.39Å; M180-F215 HydrophobicContact CE-CE1 3.9Å; M180-F215 HydrophobicContact SD-CD1 4.27Å; M180-F215 HydrophobicContact SD-CE1 4.36Å; L211-F215 WeakPolarHBondContact O-CB 3.21Å; L211-F215 PolarHBondContact O-N 3.24Å; F215-A217 PolarHBondContact O-N 3.29Å; F215-V218 PolarHBondContact O-N 3.2Å; F215-M219 HydrophobicContact CD1-CG 4.16Å; F215-M219 HydrophobicContact CD2-CG 4.38Å; F215-M219 HydrophobicContact CE1-CG 3.79Å; F215-M219 HydrophobicContact CE2-CG 4.01Å; F215-M219 HydrophobicContact CE2-SD 4.24Å; F215-M219 HydrophobicContact CG-CG 4.43Å; F215-M219 HydrophobicContact CZ-CE 4.29Å; F215-M219 HydrophobicContact CZ-CG 3.7Å; F215-M219 HydrophobicContact CZ-SD 4.09Å; F215-M219 WeakPolarHBondContact O-CB 3.34Å; F215-M219 WeakPolarHBondContact O-CG 3.22Å; F215-M219 PolarHBondContact O-N 2.93Å; F215-I227 HydrophobicContact CD1-CD1 3.54Å; F215-I227 HydrophobicContact CE1-CD1 3.57Å
216W95.3Very high92.9Very high19 Ų1925.6 Ų25.67%0.07216%0.16CC..Hα-helixtrans-58.4-47.1177.517155.5000112A46 V212 A213 D214 V218 M219 E220 I227 I230 I310 F313A46-W216 HydrophobicContact CB-CE3 4.4Å; A46-W216 HydrophobicContact CB-CH2 3.65Å; A46-W216 HydrophobicContact CB-CZ2 3.84Å; A46-W216 HydrophobicContact CB-CZ3 3.94Å; V212-W216 WeakPolarHBondContact O-CB 3.19Å; V212-W216 PolarHBondContact O-N 3.12Å; A213-W216 WeakPolarHBondContact O-CB 3.14Å; A213-W216 PolarHBondContact O-N 3.42Å; D214-W216 VanDerWaalsContact C-N 3.34Å; D214-W216 PolarHBondContact O-N 3.27Å; W216-V218 PolarHBondContact O-N 2.91Å; W216-M219 PolarHBondContact O-N 3.42Å; W216-M219 VanDerWaalsContact O-N 3.15Å; W216-E220 HydrophobicContact CD2-CG 4.35Å; W216-E220 HydrophobicContact CG-CG 4.34Å; W216-E220 HydrophobicContact CZ2-CG 4.25Å; W216-E220 PolarHBondContact NE1-OE1 3.37Å; W216-E220 VanDerWaalsContact NE1-OE1 3.08Å; W216-E220 WeakPolarHBondContact O-CB 3.48Å; W216-E220 WeakPolarHBondContact O-CG 3.4Å; W216-E220 PolarHBondContact O-N 3.35Å; W216-I227 HydrophobicContact CB-CD1 3.73Å; W216-I227 HydrophobicContact CG-CD1 4.21Å; W216-I230 HydrophobicContact CB-CD1 3.91Å; W216-I230 HydrophobicContact CD2-CD1 3.7Å; W216-I230 HydrophobicContact CD2-CG1 3.73Å; W216-I230 HydrophobicContact CE3-CD1 3.9Å; W216-I230 HydrophobicContact CE3-CG1 3.86Å; W216-I230 HydrophobicContact CG-CD1 3.7Å; W216-I230 HydrophobicContact CG-CG1 4.18Å; W216-I230 HydrophobicContact CH2-CG1 4.37Å; W216-I230 HydrophobicContact CZ2-CG1 4.3Å; W216-I230 HydrophobicContact CZ3-CG1 4.17Å; W216-I310 HydrophobicContact CH2-CD1 4.01Å; W216-I310 HydrophobicContact CH2-CG1 4.06Å; W216-I310 HydrophobicContact CZ3-CG1 4.22Å; W216-F313 HydrophobicContact CZ3-CE2 4.48Å
217A92.5Very high92.7Very high4 Ų426.2 Ų26.23%0.03316%0.164CC..Hα-helixtrans-61.8-40.9179.500000113W49 A213 D214 F215 A221W49-A217 HydrophobicContact CB-CB 3.45Å; W49-A217 VanDerWaalsContact CB-CB 3.45Å; W49-A217 HydrophobicContact CD2-CB 3.94Å; W49-A217 HydrophobicContact CE3-CB 4.39Å; W49-A217 HydrophobicContact CG-CB 3.5Å; W49-A217 VanDerWaalsContact CG-CB 3.5Å; A213-A217 WeakPolarHBondContact O-CB 3.42Å; A213-A217 PolarHBondContact O-N 3.4Å; D214-A217 PolarHBondContact O-N 2.79Å; F215-A217 PolarHBondContact O-N 3.29Å; A217-A221 WeakPolarHBondContact O-CB 3.31Å; A217-A221 PolarHBondContact O-N 3.05Å; A217-A221 VanDerWaalsContact O-N 3.08Å
218V92.6Very high92.5Very high0 Ų029.8 Ų29.80%019%0.186CC..Hα-helixtrans-65.1-41.3174.4173.50000111.1W49 P59 A64 L65 V68 D214 F215 W216 A221 R222W49-V218 HydrophobicContact CH2-CG2 3.62Å; W49-V218 HydrophobicContact CZ2-CG2 3.92Å; W49-V218 HydrophobicContact CZ3-CG2 3.96Å; P59-V218 HydrophobicContact CB-CB 4.44Å; P59-V218 HydrophobicContact CB-CG1 3.92Å; P59-V218 HydrophobicContact CB-CG2 4.43Å; A64-V218 HydrophobicContact CB-CG1 4Å; A64-V218 HydrophobicContact CB-CG2 4.4Å; L65-V218 HydrophobicContact CD2-CB 3.69Å; L65-V218 HydrophobicContact CD2-CG1 3.4Å; L65-V218 HydrophobicContact CD2-CG2 4.4Å; L65-V218 HydrophobicContact CG-CG1 4.03Å; V68-V218 HydrophobicContact CG2-CG2 4.1Å; D214-V218 WeakPolarHBondContact O-CG2 3.43Å; D214-V218 PolarHBondContact O-N 3.22Å; F215-V218 PolarHBondContact O-N 3.2Å; W216-V218 PolarHBondContact O-N 2.91Å; V218-A221 PolarHBondContact O-N 2.9Å; V218-R222 WeakPolarHBondContact O-CD 3.38Å; V218-R222 WeakPolarHBondContact O-CG 3.35Å; V218-R222 PolarHBondContact O-N 3.35Å
219M92.5Very high92.4Very high13 Ų1334.1 Ų34.16%0.06421%0.209CC..Hα-helixtrans-68.7-40.2179.2-67.2-63.3-75.400112.1L65 F215 W216 A221 R222 G223 E224 G225L65-M219 HydrophobicContact CD1-SD 4.22Å; F215-M219 HydrophobicContact CD1-CG 4.16Å; F215-M219 HydrophobicContact CD2-CG 4.38Å; F215-M219 HydrophobicContact CE1-CG 3.79Å; F215-M219 HydrophobicContact CE2-CG 4.01Å; F215-M219 HydrophobicContact CE2-SD 4.24Å; F215-M219 HydrophobicContact CG-CG 4.43Å; F215-M219 HydrophobicContact CZ-CE 4.29Å; F215-M219 HydrophobicContact CZ-CG 3.7Å; F215-M219 HydrophobicContact CZ-SD 4.09Å; F215-M219 WeakPolarHBondContact O-CB 3.34Å; F215-M219 WeakPolarHBondContact O-CG 3.22Å; F215-M219 PolarHBondContact O-N 2.93Å; W216-M219 PolarHBondContact O-N 3.42Å; W216-M219 VanDerWaalsContact O-N 3.15Å; M219-A221 PolarHBondContact O-N 3.18Å; M219-R222 WeakPolarHBondContact O-CB 3.38Å; M219-R222 PolarHBondContact O-N 3.49Å; M219-R222 VanDerWaalsContact O-N 3.11Å; M219-G223 PolarHBondContact O-N 3.04Å; M219-E224 HydrophobicContact CE-CB 3.46Å; M219-E224 VanDerWaalsContact CE-CB 3.46Å; M219-E224 HydrophobicContact CE-CG 4.45Å; M219-E224 CarbonylContact O-C 3.47Å; M219-E224 WeakPolarHBondContact O-CA 3.44Å; M219-E224 PolarHBondContact O-N 2.81Å; M219-E224 HydrophobicContact SD-CB 4.34Å; M219-G225 PolarHBondContact O-N 3.11Å; M219-G225 VanDerWaalsContact O-N 3.16Å
220E89.9Confident92.3Very high86 Ų8635.3 Ų35.340%0.40222%0.215SC..Hα-helixtrans-57.6-46.7172-78.2-70148.400111.6A46 W216 R222 G223 G225A46-E220 HydrophobicContact CB-CB 4.24Å; A46-E220 HydrophobicContact CB-CG 4.09Å; W216-E220 HydrophobicContact CD2-CG 4.35Å; W216-E220 HydrophobicContact CG-CG 4.34Å; W216-E220 HydrophobicContact CZ2-CG 4.25Å; W216-E220 PolarHBondContact NE1-OE1 3.37Å; W216-E220 VanDerWaalsContact NE1-OE1 3.08Å; W216-E220 WeakPolarHBondContact O-CB 3.48Å; W216-E220 WeakPolarHBondContact O-CG 3.4Å; W216-E220 PolarHBondContact O-N 3.35Å; E220-R222 PolarHBondContact O-N 2.93Å; E220-R222 VanDerWaalsContact O-N 3.11Å; E220-G223 PolarHBondContact O-N 3.1Å; E220-G225 WeakPolarHBondContact OE1-CA 3.42Å
221A88.8Confident92.2Very high68 Ų6837.8 Ų37.856%0.56223%0.229SC*.Hα-helixtrans-61.4-22.1177.800000113.4P59 A217 V218 M219P59-A221 HydrophobicContact CB-CB 3.92Å; P59-A221 HydrophobicContact CG-CB 3.69Å; A217-A221 WeakPolarHBondContact O-CB 3.31Å; A217-A221 PolarHBondContact O-N 3.05Å; A217-A221 VanDerWaalsContact O-N 3.08Å; V218-A221 PolarHBondContact O-N 2.9Å; M219-A221 PolarHBondContact O-N 3.18Å
222R88.6Confident92.1Very high55 Ų5539.3 Ų39.321%0.20824%0.239CC..THydrogen-bonded Turntrans-91-7.2175.6-66.816758164.1-0.9113.6P59 D62 V218 M219 E220 E224P59-R222 WeakPolarHBondContact O-CG 3.43Å; D62-R222 IonicContact OD1-CZ 3.82Å; D62-R222 IonicContact OD1-NH1 3.81Å; D62-R222 PolarHBondContact OD1-NH1 3.49Å; D62-R222 IonicContact OD1-NH2 3.35Å; D62-R222 PolarHBondContact OD1-NH2 3.21Å; V218-R222 WeakPolarHBondContact O-CD 3.38Å; V218-R222 WeakPolarHBondContact O-CG 3.35Å; V218-R222 PolarHBondContact O-N 3.35Å; M219-R222 WeakPolarHBondContact O-CB 3.38Å; M219-R222 PolarHBondContact O-N 3.49Å; M219-R222 VanDerWaalsContact O-N 3.11Å; E220-R222 PolarHBondContact O-N 2.93Å; E220-R222 VanDerWaalsContact O-N 3.11Å; R222-E224 HydrophobicContact CB-CB 4.42Å; R222-E224 HydrophobicContact CB-CG 4.27Å; R222-E224 IonicContact CZ-OE1 3.07Å; R222-E224 IonicContact NE-OE1 3.91Å; R222-E224 PolarHBondContact NE-OE1 3.49Å; R222-E224 IonicContact NH2-OE1 2.8Å; R222-E224 PolarHBondContact NH2-OE1 3.32Å; R222-E224 IonicContact NH2-OE2 3.02Å; R222-E224 PolarHBondContact O-N 2.83Å
223G87.5Confident92.1Very high69 Ų6939.3 Ų39.371%0.71124%0.239SC*.THydrogen-bonded Turntrans71.816.1-169.100000113.7M219 E220M219-G223 PolarHBondContact O-N 3.04Å; E220-G223 PolarHBondContact O-N 3.1Å
224E86.5Confident92.2Very high76 Ų7639.3 Ų39.336%0.35524%0.239SC..  trans-106.413.2177.4-63.1177.4-114.400111.8R167 M219 R222 C226R167-E224 IonicContact CZ-OE2 3.9Å; R167-E224 IonicContact NH2-OE2 2.74Å; R167-E224 PolarHBondContact NH2-OE2 3.05Å; M219-E224 HydrophobicContact CE-CB 3.46Å; M219-E224 VanDerWaalsContact CE-CB 3.46Å; M219-E224 HydrophobicContact CE-CG 4.45Å; M219-E224 CarbonylContact O-C 3.47Å; M219-E224 WeakPolarHBondContact O-CA 3.44Å; M219-E224 PolarHBondContact O-N 2.81Å; M219-E224 HydrophobicContact SD-CB 4.34Å; R222-E224 HydrophobicContact CB-CB 4.42Å; R222-E224 HydrophobicContact CB-CG 4.27Å; R222-E224 IonicContact CZ-OE1 3.07Å; R222-E224 IonicContact NE-OE1 3.91Å; R222-E224 PolarHBondContact NE-OE1 3.49Å; R222-E224 IonicContact NH2-OE1 2.8Å; R222-E224 PolarHBondContact NH2-OE1 3.32Å; R222-E224 IonicContact NH2-OE2 3.02Å; R222-E224 PolarHBondContact O-N 2.83Å; E224-C226 PolarHBondContact O-N 3.48Å
225G76.3Confident92.3Very high8 Ų839 Ų398%0.08224%0.237CC..  trans-72.519.2-169.900000117.2M219 E220 I227M219-G225 PolarHBondContact O-N 3.11Å; M219-G225 VanDerWaalsContact O-N 3.16Å; E220-G225 WeakPolarHBondContact OE1-CA 3.42Å; G225-I227 PolarHBondContact O-N 3.49Å
226C86.4Confident92.4Very high104 Ų10439.1 Ų39.170%0.70324%0.237SC*.  trans-70.766.7-179.1-66.50000112.5N175 E224N175-C226 WeakPolarHBondContact CB-O 3.23Å; E224-C226 PolarHBondContact O-N 3.48Å
227I93.1Very high92.2Very high17 Ų1738.2 Ų38.29%0.08723%0.234CC..  trans-105118.3176.3-58.8179.6000108.2N175 A177 M180 F215 W216 G225N175-I227 CarbonylContact O-C 3.59Å; N175-I227 VanDerWaalsContact O-CA 3.31Å; N175-I227 WeakPolarHBondContact O-CA 3.46Å; A177-I227 HydrophobicContact CB-CG2 3.93Å; M180-I227 HydrophobicContact CE-CD1 4.34Å; M180-I227 HydrophobicContact CE-CG1 4.47Å; M180-I227 HydrophobicContact CE-CG2 4.45Å; M180-I227 HydrophobicContact SD-CD1 4.48Å; M180-I227 HydrophobicContact SD-CG2 4.35Å; F215-I227 HydrophobicContact CD1-CD1 3.54Å; F215-I227 HydrophobicContact CE1-CD1 3.57Å; W216-I227 HydrophobicContact CB-CD1 3.73Å; W216-I227 HydrophobicContact CG-CD1 4.21Å; G225-I227 PolarHBondContact O-N 3.49Å
228T95.3Very high92.1Very high77 Ų7738.4 Ų38.447%0.47224%0.235SC..BIsolated β-bridgetrans-81.5162.7177.961.30000110.9N175 A177 I230N175-T228 PolarHBondContact O-N 2.68Å; N175-T228 PolarHBondContact O-OG1 3.41Å; A177-T228 PolarHBondContact N-O 3.33Å; T228-I230 PolarHBondContact O-N 3.2Å; T228-I230 VanDerWaalsContact O-N 3.1Å
229N95.4Very high92Very high92 Ų9239.4 Ų39.449%0.49224%0.239SC..THydrogen-bonded Turntrans5823.5176.2-63.4-30.6000114.9D176 D231 C232D176-N229 PolarHBondContact OD2-ND2 2.85Å; N229-D231 PolarHBondContact O-N 3.44Å; N229-D231 VanDerWaalsContact O-N 3.12Å; N229-C232 VanDerWaalsContact O-CB 3.23Å; N229-C232 WeakPolarHBondContact O-CB 3.44Å; N229-C232 PolarHBondContact O-N 2.83Å; N229-C232 PolarHBondContact O-SG 3.32Å
230I95.9Very high92Very high28 Ų2842.3 Ų42.314%0.14425%0.249CC..G310 helixtrans-58.1-28.4178.4-16467000113.2A177 W216 T228 C232 L233A177-I230 HydrophobicContact CB-CD1 4.07Å; W216-I230 HydrophobicContact CB-CD1 3.91Å; W216-I230 HydrophobicContact CD2-CD1 3.7Å; W216-I230 HydrophobicContact CD2-CG1 3.73Å; W216-I230 HydrophobicContact CE3-CD1 3.9Å; W216-I230 HydrophobicContact CE3-CG1 3.86Å; W216-I230 HydrophobicContact CG-CD1 3.7Å; W216-I230 HydrophobicContact CG-CG1 4.18Å; W216-I230 HydrophobicContact CH2-CG1 4.37Å; W216-I230 HydrophobicContact CZ2-CG1 4.3Å; W216-I230 HydrophobicContact CZ3-CG1 4.17Å; T228-I230 PolarHBondContact O-N 3.2Å; T228-I230 VanDerWaalsContact O-N 3.1Å; I230-C232 PolarHBondContact O-N 3.3Å; I230-C232 VanDerWaalsContact O-N 3.14Å; I230-L233 HydrophobicContact CD1-CD1 3.64Å; I230-L233 HydrophobicContact CD1-CG 4.35Å; I230-L233 HydrophobicContact CG1-CD1 4.45Å; I230-L233 WeakPolarHBondContact O-CB 3.49Å; I230-L233 WeakPolarHBondContact O-CG 3.47Å; I230-L233 PolarHBondContact O-N 3.47Å; I230-L233 VanDerWaalsContact O-N 3.15Å
231D95.6Very high92.3Very high67 Ų6738.2 Ų38.236%0.35823%0.23SC..G310 helixtrans-67.2-6.8174.3-168.665.8000112.9R8 N229 L233 K289 N307R8-D231 PolarHBondContact NH2-O 3.05Å; N229-D231 PolarHBondContact O-N 3.44Å; N229-D231 VanDerWaalsContact O-N 3.12Å; D231-L233 PolarHBondContact O-N 3.38Å; D231-K289 VanDerWaalsContact CG-NZ 3.32Å; D231-K289 IonicContact OD1-NZ 2.71Å; D231-K289 PolarHBondContact OD1-NZ 3.39Å; D231-K289 IonicContact OD2-NZ 3.92Å; D231-K289 PolarHBondContact OD2-NZ 3.39Å; D231-K289 VanDerWaalsContact OD2-NZ 3.09Å; D231-N307 HydrophobicContact CB-CB 4.37Å; D231-N307 VanDerWaalsContact OD1-CB 3.31Å; D231-N307 WeakPolarHBondContact OD1-CB 3.33Å
232C97Very high92.7Very high31 Ų3135 Ų3521%0.20920%0.203CC..G310 helixtrans-67.4-25.1170.380.10000112.5Q178 N229 I230Q178-C232 HydrophobicContact CB-CB 4.23Å; Q178-C232 PolarHBondContact N-SG 2.87Å; N229-C232 VanDerWaalsContact O-CB 3.23Å; N229-C232 WeakPolarHBondContact O-CB 3.44Å; N229-C232 PolarHBondContact O-N 2.83Å; N229-C232 PolarHBondContact O-SG 3.32Å; I230-C232 PolarHBondContact O-N 3.3Å; I230-C232 VanDerWaalsContact O-N 3.14Å
233L98.3Very high93Very high1 Ų132.8 Ų32.81%0.00520%0.195CC..  trans-70139.3178.3-56-175.4000110.1V181 Q209 V212 A213 I230 D231 A309V181-L233 HydrophobicContact CG2-CD2 3.74Å; Q209-L233 HydrophobicContact CB-CD2 4.23Å; Q209-L233 HydrophobicContact CG-CD2 4.24Å; V212-L233 HydrophobicContact CB-CD1 4.45Å; V212-L233 HydrophobicContact CG1-CD1 4.16Å; V212-L233 HydrophobicContact CG1-CD2 4.38Å; A213-L233 HydrophobicContact CB-CD1 3.92Å; I230-L233 HydrophobicContact CD1-CD1 3.64Å; I230-L233 HydrophobicContact CD1-CG 4.35Å; I230-L233 HydrophobicContact CG1-CD1 4.45Å; I230-L233 WeakPolarHBondContact O-CB 3.49Å; I230-L233 WeakPolarHBondContact O-CG 3.47Å; I230-L233 PolarHBondContact O-N 3.47Å; I230-L233 VanDerWaalsContact O-N 3.15Å; D231-L233 PolarHBondContact O-N 3.38Å; L233-A309 HydrophobicContact CB-CB 4.28Å; L233-A309 HydrophobicContact CD1-CB 4.47Å
234T98.6Very high93.5Very high0 Ų029.5 Ų29.50%016%0.161CC..  trans-95.4-178.3173.164.70000110.6P7 R8 Q209 F236 I282P7-T234 HydrophobicContact CB-CG2 4.06Å; R8-T234 HydrophobicContact CB-CG2 3.83Å; Q209-T234 PolarHBondContact NE2-OG1 2.98Å; Q209-T234 PolarHBondContact OE1-OG1 3.41Å; T234-F236 WeakPolarHBondContact O-CE1 3.32Å; T234-I282 HydrophobicContact CG2-CG2 3.79Å
235M97.5Very high94.1Very high0 Ų025.9 Ų25.90%014%0.144CC..  trans-60.4157.3157.467.88262.600110.6A237 V241 L245 I282 V285 D312M235-A237 HydrophobicContact SD-CB 4.16Å; M235-V241 HydrophobicContact CE-CB 3.66Å; M235-V241 HydrophobicContact CE-CG1 3.26Å; M235-V241 HydrophobicContact CE-CG2 4.44Å; M235-L245 HydrophobicContact CE-CD1 4.5Å; M235-I282 HydrophobicContact CG-CB 4.49Å; M235-I282 HydrophobicContact CG-CG1 4.2Å; M235-I282 HydrophobicContact SD-CB 4.34Å; M235-I282 HydrophobicContact SD-CG1 3.63Å; M235-V285 HydrophobicContact CB-CB 3.94Å; M235-V285 HydrophobicContact CB-CG1 3.94Å; M235-V285 HydrophobicContact CB-CG2 3.93Å; M235-V285 HydrophobicContact CG-CB 3.7Å; M235-V285 HydrophobicContact CG-CG1 4.27Å; M235-V285 HydrophobicContact CG-CG2 3.66Å; M235-D312 HydrophobicContact CB-CB 4.18Å
236F96.1Very high95.1Very high6 Ų626.5 Ų26.53%0.02615%0.147CC..  trans-96.2103-174.6-49.9-46.2000108.7K206 Q209 I210 A213 T234 D238 A309 D312 F313K206-F236 HydrophobicContact CG-CB 4.14Å; Q209-F236 HydrophobicContact CB-CD1 3.76Å; Q209-F236 HydrophobicContact CB-CE1 3.67Å; I210-F236 HydrophobicContact CD1-CB 3.97Å; I210-F236 HydrophobicContact CD1-CD2 4.11Å; I210-F236 HydrophobicContact CD1-CG 4.05Å; I210-F236 HydrophobicContact CG1-CB 3.84Å; I210-F236 HydrophobicContact CG1-CD1 3.79Å; I210-F236 HydrophobicContact CG1-CD2 3.46Å; I210-F236 VanDerWaalsContact CG1-CD2 3.46Å; I210-F236 HydrophobicContact CG1-CE1 4.25Å; I210-F236 HydrophobicContact CG1-CE2 3.95Å; I210-F236 HydrophobicContact CG1-CG 3.39Å; I210-F236 HydrophobicContact CG1-CZ 4.33Å; A213-F236 HydrophobicContact CB-CE1 4.32Å; A213-F236 HydrophobicContact CB-CE2 4.21Å; A213-F236 HydrophobicContact CB-CZ 3.48Å; A213-F236 VanDerWaalsContact CB-CZ 3.48Å; T234-F236 WeakPolarHBondContact O-CE1 3.32Å; F236-D238 VanDerWaalsContact C-N 3.29Å; F236-D238 PolarHBondContact O-N 3.04Å; F236-A309 HydrophobicContact CE1-CB 4.5Å; F236-A309 HydrophobicContact CZ-CB 3.84Å; F236-D312 HydrophobicContact CD2-CB 4.07Å; F236-D312 VanDerWaalsContact CD2-CG 3.47Å; F236-D312 WeakPolarHBondContact CD2-OD2 3.37Å; F236-D312 HydrophobicContact CE2-CB 4.22Å; F236-D312 PolarHBondContact N-OD1 3.27Å; F236-F313 HydrophobicContact CE2-CD1 4.36Å; F236-F313 AromaticContact CE2-CE1 3.94Å; F236-F313 HydrophobicContact CE2-CE1 3.94Å
237A90.9Very high95.7Very high1 Ų125.2 Ų25.21%0.00813%0.128CC..  trans-68.181.3-17400000112.8M235 R278 I282M235-A237 HydrophobicContact SD-CB 4.16Å; A237-R278 HydrophobicContact CB-CB 3.79Å; A237-R278 HydrophobicContact CB-CG 4.11Å; A237-R278 PolarHBondContact O-NE 2.83Å; A237-R278 PolarHBondContact O-NH2 3.48Å; A237-I282 HydrophobicContact CB-CD1 3.95Å; A237-I282 HydrophobicContact CB-CG1 3.98Å
238D91Very high95.9Very high8 Ų825 Ų254%0.04313%0.126CC..  trans-99.5-164.1173.681.80.4000111.8F236 R240 V241 P242 W316 H332F236-D238 VanDerWaalsContact C-N 3.29Å; F236-D238 PolarHBondContact O-N 3.04Å; D238-R240 PolarHBondContact OD1-N 2.79Å; D238-V241 PolarHBondContact OD1-N 3.11Å; D238-P242 WeakPolarHBondContact O-CD 3.45Å; D238-P242 WeakPolarHBondContact O-CG 3.3Å; D238-W316 PolarHBondContact OD2-NE1 2.69Å; D238-H332 PolarHBondContact O-CE1 3.1Å
239Y90Very high96.1Very high20 Ų2022.9 Ų22.98%0.07812%0.12CC..SBendtrans-93.9-14.2179.666.1-91.6000115.1I331Y239-I331 HydrophobicContact CD2-CB 4.05Å; Y239-I331 HydrophobicContact CD2-CD1 3.35Å; Y239-I331 HydrophobicContact CD2-CG1 4.26Å; Y239-I331 HydrophobicContact CD2-CG2 4.08Å; Y239-I331 HydrophobicContact CE2-CD1 3.64Å; Y239-I331 HydrophobicContact CG-CD1 4.33Å; Y239-I331 WeakPolarHBondContact O-CG2 3.47Å
240R93Very high96.2Very high75 Ų7518.5 Ų18.528%0.28310%0.097SC..SBendtrans-96.1-40.4-176.8-75.7-61.1-169.5-179.6-2.1113D238 Q243 A244 A319D238-R240 PolarHBondContact OD1-N 2.79Å; R240-Q243 WeakPolarHBondContact O-CB 3.26Å; R240-Q243 PolarHBondContact O-N 2.61Å; R240-A244 PolarHBondContact O-N 2.78Å; R240-A244 VanDerWaalsContact O-N 3.11Å; R240-A319 HydrophobicContact CB-CB 4.19Å
241V95.7Very high96.4Very high0 Ų017.4 Ų17.40%09%0.091CC..Hα-helixtrans-64.4-41.7179.9-175.80000111.5M235 D238 Q243 A244 L245 L315 W316M235-V241 HydrophobicContact CE-CB 3.66Å; M235-V241 HydrophobicContact CE-CG1 3.26Å; M235-V241 HydrophobicContact CE-CG2 4.44Å; D238-V241 PolarHBondContact OD1-N 3.11Å; V241-Q243 VanDerWaalsContact C-N 3.29Å; V241-Q243 PolarHBondContact O-N 3.16Å; V241-A244 PolarHBondContact O-N 3.35Å; V241-A244 VanDerWaalsContact O-N 3.15Å; V241-L245 HydrophobicContact CG1-CD1 4.14Å; V241-L245 HydrophobicContact CG1-CG 4.31Å; V241-L245 WeakPolarHBondContact O-CG 3.45Å; V241-L245 PolarHBondContact O-N 3.21Å; V241-L315 HydrophobicContact CG1-CB 4Å; V241-L315 HydrophobicContact CG1-CD1 4.01Å; V241-W316 HydrophobicContact CG2-CB 4.07Å
242P97.2Very high96.5Very high0 Ų018.5 Ų18.50%09%0.094CC..Hα-helixtrans-58.8-38.3172.8-22.431.9000113.3D238 A244 L245 V246 I277 S281D238-P242 WeakPolarHBondContact O-CD 3.45Å; D238-P242 WeakPolarHBondContact O-CG 3.3Å; P242-A244 PolarHBondContact O-N 3.08Å; P242-L245 PolarHBondContact O-N 3.23Å; P242-V246 WeakPolarHBondContact O-CG2 3.49Å; P242-V246 PolarHBondContact O-N 2.93Å; P242-I277 HydrophobicContact CB-CG2 3.61Å; P242-I277 HydrophobicContact CG-CG2 3.84Å; P242-S281 WeakPolarHBondContact CB-OG 3.49Å; P242-S281 VanDerWaalsContact CG-OG 3.31Å; P242-S281 WeakPolarHBondContact CG-OG 3.37Å
243Q96.5Very high96.6Very high9 Ų917.7 Ų17.74%0.0429%0.087CC..Hα-helixtrans-60-45.1175.4-175.8-173.137.400111.1R240 V241 V246 Y247 M326 I329 I331R240-Q243 WeakPolarHBondContact O-CB 3.26Å; R240-Q243 PolarHBondContact O-N 2.61Å; V241-Q243 VanDerWaalsContact C-N 3.29Å; V241-Q243 PolarHBondContact O-N 3.16Å; Q243-V246 PolarHBondContact O-N 3.25Å; Q243-Y247 PolarHBondContact O-N 3.42Å; Q243-M326 HydrophobicContact CG-CB 4.25Å; Q243-M326 HydrophobicContact CG-CE 4.31Å; Q243-M326 HydrophobicContact CG-SD 4.37Å; Q243-M326 PolarHBondContact NE2-O 3.02Å; Q243-I329 HydrophobicContact CG-CB 4.25Å; Q243-I329 HydrophobicContact CG-CG2 4.01Å; Q243-I329 PolarHBondContact NE2-O 3.28Å; Q243-I331 HydrophobicContact CB-CG2 4.1Å; Q243-I331 VanDerWaalsContact CD-CG2 3.48Å; Q243-I331 HydrophobicContact CG-CG2 4.2Å
244A97.4Very high96.6Very high0 Ų018.7 Ų18.70%09%0.094CC..Hα-helixtrans-64.8-39175.300000112.6R240 V241 P242 V246 Y247 L248 F318 A319 M326R240-A244 PolarHBondContact O-N 2.78Å; R240-A244 VanDerWaalsContact O-N 3.11Å; V241-A244 PolarHBondContact O-N 3.35Å; V241-A244 VanDerWaalsContact O-N 3.15Å; P242-A244 PolarHBondContact O-N 3.08Å; A244-V246 VanDerWaalsContact C-N 3.34Å; A244-V246 PolarHBondContact O-N 3.09Å; A244-Y247 PolarHBondContact O-N 2.95Å; A244-L248 WeakPolarHBondContact O-CB 3.18Å; A244-L248 WeakPolarHBondContact O-CG 3.06Å; A244-L248 PolarHBondContact O-N 2.9Å; A244-F318 HydrophobicContact CB-CD1 4.1Å; A244-F318 HydrophobicContact CB-CE1 4.41Å; A244-A319 HydrophobicContact CB-CB 3.85Å; A244-M326 VanDerWaalsContact CA-SD 3.59Å; A244-M326 HydrophobicContact CB-SD 4.1Å
245L98.5Very high96.6Very high0 Ų025.4 Ų25.40%013%0.13CC..Hα-helixtrans-65.2-36.4176.9-68.9169.8000112M235 V241 P242 G249 V250 L251 V285 I288 L315M235-L245 HydrophobicContact CE-CD1 4.5Å; V241-L245 HydrophobicContact CG1-CD1 4.14Å; V241-L245 HydrophobicContact CG1-CG 4.31Å; V241-L245 WeakPolarHBondContact O-CG 3.45Å; V241-L245 PolarHBondContact O-N 3.21Å; P242-L245 PolarHBondContact O-N 3.23Å; L245-G249 PolarHBondContact O-N 3.35Å; L245-V250 HydrophobicContact CB-CB 4.2Å; L245-V250 HydrophobicContact CD2-CB 4.04Å; L245-V250 HydrophobicContact CD2-CG1 4.03Å; L245-V250 HydrophobicContact CD2-CG2 4.11Å; L245-V250 WeakPolarHBondContact O-CA 3.43Å; L245-V250 WeakPolarHBondContact O-CB 3.34Å; L245-V250 PolarHBondContact O-N 3.18Å; L245-L251 HydrophobicContact CB-CB 4.41Å; L245-L251 HydrophobicContact CB-CD1 3.73Å; L245-L251 HydrophobicContact CB-CG 3.82Å; L245-L251 HydrophobicContact CD1-CD1 4Å; L245-L251 PolarHBondContact O-N 3.46Å; L245-L251 VanDerWaalsContact O-N 3.15Å; L245-V285 HydrophobicContact CD1-CG2 4.22Å; L245-V285 HydrophobicContact CD2-CG2 4.27Å; L245-I288 HydrophobicContact CD2-CD1 4.18Å; L245-L315 HydrophobicContact CD2-CD1 4.05Å
246V98.3Very high96.6Very high21 Ų2128.5 Ų28.513%0.12716%0.155CC..Hα-helixtrans-64.8-47.6170.9175.70000110.8P242 Q243 A244 L248 G249 L251 Y253 I329P242-V246 WeakPolarHBondContact O-CG2 3.49Å; P242-V246 PolarHBondContact O-N 2.93Å; Q243-V246 PolarHBondContact O-N 3.25Å; A244-V246 VanDerWaalsContact C-N 3.34Å; A244-V246 PolarHBondContact O-N 3.09Å; V246-L248 VanDerWaalsContact C-N 3.28Å; V246-L248 PolarHBondContact O-N 3.25Å; V246-G249 WeakPolarHBondContact O-CA 3.3Å; V246-G249 PolarHBondContact O-N 3.23Å; V246-L251 WeakPolarHBondContact CA-O 3.15Å; V246-L251 HydrophobicContact CG2-CB 3.78Å; V246-Y253 HydrophobicContact CG2-CD1 4.21Å; V246-Y253 HydrophobicContact CG2-CD2 4.29Å; V246-Y253 HydrophobicContact CG2-CE1 3.69Å; V246-Y253 HydrophobicContact CG2-CE2 3.78Å; V246-Y253 HydrophobicContact CG2-CG 4.49Å; V246-Y253 VanDerWaalsContact CG2-CZ 3.44Å; V246-I329 HydrophobicContact CB-CD1 4.39Å; V246-I329 HydrophobicContact CB-CG2 4.01Å; V246-I329 HydrophobicContact CG1-CD1 3.94Å; V246-I329 HydrophobicContact CG1-CG1 4.16Å; V246-I329 HydrophobicContact CG1-CG2 3.83Å
247Y98Very high96.7Very high77 Ų7728.2 Ų28.230%0.30215%0.154SC..Hα-helixtrans-59-39.2178.7177.7-117.4000113Q243 A244 G249 F318 E325 M326 I329Q243-Y247 PolarHBondContact O-N 3.42Å; A244-Y247 PolarHBondContact O-N 2.95Å; Y247-G249 PolarHBondContact O-N 3.17Å; Y247-F318 HydrophobicContact CD1-CE1 4.06Å; Y247-F318 HydrophobicContact CD1-CZ 4.22Å; Y247-F318 HydrophobicContact CE1-CE1 4.42Å; Y247-F318 HydrophobicContact CE1-CZ 4.18Å; Y247-E325 HydrophobicContact CE2-CB 4.36Å; Y247-E325 PolarHBondContact OH-OE2 3.15Å; Y247-M326 HydrophobicContact CD1-CG 3.78Å; Y247-M326 HydrophobicContact CD1-SD 3.89Å; Y247-M326 HydrophobicContact CD2-CG 3.89Å; Y247-M326 HydrophobicContact CE1-CG 4.33Å; Y247-M326 HydrophobicContact CE2-CG 4.45Å; Y247-M326 HydrophobicContact CG-CG 3.52Å; Y247-M326 HydrophobicContact CG-SD 3.87Å; Y247-I329 HydrophobicContact CD2-CD1 4.24Å; Y247-I329 HydrophobicContact CG-CD1 4.5Å
248L98.2Very high97.1Very high11 Ų1129.7 Ų29.76%0.05816%0.161CC..THydrogen-bonded Turntrans-74-9.1177.7-69.5168.9000113V31 A244 V246 V250 L315 F318V31-L248 HydrophobicContact CG2-CB 3.74Å; V31-L248 HydrophobicContact CG2-CD1 3.92Å; V31-L248 HydrophobicContact CG2-CD2 4.44Å; V31-L248 HydrophobicContact CG2-CG 4.25Å; A244-L248 WeakPolarHBondContact O-CB 3.18Å; A244-L248 WeakPolarHBondContact O-CG 3.06Å; A244-L248 PolarHBondContact O-N 2.9Å; V246-L248 VanDerWaalsContact C-N 3.28Å; V246-L248 PolarHBondContact O-N 3.25Å; L248-V250 HydrophobicContact CB-CG2 4.2Å; L248-L315 HydrophobicContact CD1-CD2 3.95Å; L248-F318 HydrophobicContact CD1-CD1 4.47Å; L248-F318 HydrophobicContact CD1-CE1 4.05Å; L248-F318 HydrophobicContact CD1-CZ 4.48Å; L248-F318 HydrophobicContact CD2-CE1 4.01Å; L248-F318 HydrophobicContact CD2-CZ 3.71Å; L248-F318 HydrophobicContact CG-CE1 4.04Å; L248-F318 HydrophobicContact CG-CZ 4.27Å
249G98.4Very high97.4Very high34 Ų3435.3 Ų35.335%0.35119%0.187SC..THydrogen-bonded Turntrans80.915.4-178.700000113.9R24 G27 L245 V246 Y247R24-G249 WeakPolarHBondContact CB-O 3.43Å; G27-G249 VanDerWaalsContact CA-O 3.31Å; G27-G249 WeakPolarHBondContact CA-O 3.16Å; L245-G249 PolarHBondContact O-N 3.35Å; V246-G249 WeakPolarHBondContact O-CA 3.3Å; V246-G249 PolarHBondContact O-N 3.23Å; Y247-G249 PolarHBondContact O-N 3.17Å
250V98.8Very high97.7Very high0 Ų034.7 Ų34.70%019%0.186CC..SBendtrans-78.2-42.2177.6178.30000110.8I23 R24 V28 V31 L245 L248 I288I23-V250 WeakPolarHBondContact CA-O 3.45Å; R24-V250 PolarHBondContact N-O 3.31Å; V28-V250 HydrophobicContact CG2-CG1 3.95Å; V31-V250 HydrophobicContact CB-CG2 4.17Å; V31-V250 HydrophobicContact CG2-CG2 3.45Å; V31-V250 VanDerWaalsContact CG2-CG2 3.45Å; L245-V250 HydrophobicContact CB-CB 4.2Å; L245-V250 HydrophobicContact CD2-CB 4.04Å; L245-V250 HydrophobicContact CD2-CG1 4.03Å; L245-V250 HydrophobicContact CD2-CG2 4.11Å; L245-V250 WeakPolarHBondContact O-CA 3.43Å; L245-V250 WeakPolarHBondContact O-CB 3.34Å; L245-V250 PolarHBondContact O-N 3.18Å; L248-V250 HydrophobicContact CB-CG2 4.2Å; V250-I288 HydrophobicContact CG1-CD1 4.12Å; V250-I288 HydrophobicContact CG2-CD1 4.12Å
251L98.8Very high97.9Very high4 Ų431.4 Ų31.42%0.02117%0.174CC..EExtended strand (participates in β ladder)trans-108.5146.6175.6-63.3179.2000110.2V21 F22 I23 L245 V246 Y253 C280 S281V21-L251 HydrophobicContact CG1-CD2 4.15Å; F22-L251 CarbonylContact O-C 3.4Å; F22-L251 WeakPolarHBondContact O-CA 3.44Å; I23-L251 HydrophobicContact CG1-CD2 3.83Å; L245-L251 HydrophobicContact CB-CB 4.41Å; L245-L251 HydrophobicContact CB-CD1 3.73Å; L245-L251 HydrophobicContact CB-CG 3.82Å; L245-L251 HydrophobicContact CD1-CD1 4Å; L245-L251 PolarHBondContact O-N 3.46Å; L245-L251 VanDerWaalsContact O-N 3.15Å; V246-L251 WeakPolarHBondContact CA-O 3.15Å; V246-L251 HydrophobicContact CG2-CB 3.78Å; L251-Y253 HydrophobicContact CB-CE1 4.45Å; L251-C280 HydrophobicContact CD2-CB 4.03Å; L251-S281 WeakPolarHBondContact CD1-OG 3.47Å
252E98.7Very high97.8Very high90 Ų9037.6 Ų37.642%0.42120%0.201SC..EExtended strand (participates in β ladder)trans-131.3131.9169.6-171.8179.9128.100108.8F22 R24F22-E252 PolarHBondContact N-O 2.9Å; F22-E252 PolarHBondContact O-N 3.2Å; R24-E252 HydrophobicContact CG-CB 4.06Å; R24-E252 IonicContact CZ-OE1 3.9Å; R24-E252 IonicContact CZ-OE2 3.13Å; R24-E252 IonicContact NE-OE1 3.28Å; R24-E252 IonicContact NE-OE2 2.9Å; R24-E252 PolarHBondContact NE-OE2 2.78Å; R24-E252 IonicContact NH2-OE1 3.62Å; R24-E252 PolarHBondContact NH2-OE1 3.25Å; R24-E252 IonicContact NH2-OE2 3.15Å; R24-E252 PolarHBondContact NH2-OE2 2.97Å
253Y98.6Very high97.7Very high14 Ų1444.2 Ų44.26%0.05524%0.236CC..EExtended strand (participates in β ladder)trans-95148.7175.9-59.6-20.7000110.4D20 V21 V246 L251 L257 M258 L261 I277D20-Y253 CarbonylContact O-C 3.57Å; D20-Y253 VanDerWaalsContact O-CA 3.25Å; D20-Y253 WeakPolarHBondContact O-CA 3.42Å; V21-Y253 HydrophobicContact CB-CD1 4.29Å; V21-Y253 HydrophobicContact CB-CE1 4.47Å; V21-Y253 HydrophobicContact CG1-CD1 3.93Å; V21-Y253 HydrophobicContact CG1-CE1 3.79Å; V21-Y253 HydrophobicContact CG2-CD1 3.83Å; V21-Y253 HydrophobicContact CG2-CE1 3.96Å; V246-Y253 HydrophobicContact CG2-CD1 4.21Å; V246-Y253 HydrophobicContact CG2-CD2 4.29Å; V246-Y253 HydrophobicContact CG2-CE1 3.69Å; V246-Y253 HydrophobicContact CG2-CE2 3.78Å; V246-Y253 HydrophobicContact CG2-CG 4.49Å; V246-Y253 VanDerWaalsContact CG2-CZ 3.44Å; L251-Y253 HydrophobicContact CB-CE1 4.45Å; Y253-L257 HydrophobicContact CD1-CD2 4.02Å; Y253-L257 HydrophobicContact CD2-CD2 4.3Å; Y253-L257 HydrophobicContact CD2-CG 4.43Å; Y253-L257 HydrophobicContact CG-CD2 3.86Å; Y253-L257 HydrophobicContact CG-CG 4.31Å; Y253-M258 HydrophobicContact CD2-CE 3.83Å; Y253-M258 HydrophobicContact CG-CE 4.39Å; Y253-L261 HydrophobicContact CD2-CD1 3.83Å; Y253-L261 HydrophobicContact CE2-CD1 3.69Å; Y253-I277 HydrophobicContact CE1-CG1 4.16Å
254S98.6Very high97.5Very high23 Ų2345.8 Ų45.816%0.16126%0.255CS..  trans-58.7155.4166.871.70000110.6D20 A256 L257 M258D20-S254 PolarHBondContact O-N 2.77Å; D20-S254 WeakPolarHBondContact OD1-CB 3.26Å; D20-S254 PolarHBondContact OD1-OG 3.48Å; S254-A256 PolarHBondContact O-N 3.07Å; S254-L257 PolarHBondContact O-N 3Å; S254-L257 WeakPolarHBondContact OG-CB 3.5Å; S254-L257 PolarHBondContact OG-N 3.49Å; S254-L257 VanDerWaalsContact OG-N 3.14Å; S254-M258 WeakPolarHBondContact O-CB 3.34Å; S254-M258 PolarHBondContact O-N 3.12Å
255D98.3Very high97.4Very high141 Ų14149.6 Ų49.675%0.75427%0.273SS*.Hα-helixtrans-56.3-42.6176.5-67.4-33.6000111.2L257 M258 E259D255-L257 PolarHBondContact O-N 3.4Å; D255-M258 PolarHBondContact O-N 2.94Å; D255-E259 WeakPolarHBondContact O-CB 3.15Å; D255-E259 WeakPolarHBondContact O-CG 3.26Å; D255-E259 PolarHBondContact O-N 3.2Å
256A98.3Very high97.2Very high64 Ų6454.1 Ų54.153%0.52930%0.297SS..Hα-helixtrans-63.1-43.1179.700000112.8S254 A260S254-A256 PolarHBondContact O-N 3.07Å; A256-A260 WeakPolarHBondContact O-CB 3.36Å; A256-A260 PolarHBondContact O-N 2.95Å
257L98.4Very high97.1Very high1 Ų153.1 Ų53.11%0.00529%0.291CS..Hα-helixtrans-66.5-44.2175.4175.758.7000110.9D20 V21 Y253 S254 D255 E259 A260 L261 L267 R273 I277D20-L257 HydrophobicContact CB-CB 3.9Å; D20-L257 HydrophobicContact CB-CD2 3.78Å; D20-L257 HydrophobicContact CB-CG 4.43Å; V21-L257 HydrophobicContact CG2-CD2 3.61Å; Y253-L257 HydrophobicContact CD1-CD2 4.02Å; Y253-L257 HydrophobicContact CD2-CD2 4.3Å; Y253-L257 HydrophobicContact CD2-CG 4.43Å; Y253-L257 HydrophobicContact CG-CD2 3.86Å; Y253-L257 HydrophobicContact CG-CG 4.31Å; S254-L257 PolarHBondContact O-N 3Å; S254-L257 WeakPolarHBondContact OG-CB 3.5Å; S254-L257 PolarHBondContact OG-N 3.49Å; S254-L257 VanDerWaalsContact OG-N 3.14Å; D255-L257 PolarHBondContact O-N 3.4Å; L257-E259 VanDerWaalsContact C-N 3.33Å; L257-E259 PolarHBondContact O-N 3.2Å; L257-A260 PolarHBondContact O-N 3.34Å; L257-L261 HydrophobicContact CD1-CD1 4.38Å; L257-L261 HydrophobicContact CD1-CG 4.15Å; L257-L261 HydrophobicContact CG-CD1 4.37Å; L257-L261 VanDerWaalsContact O-CG 3.31Å; L257-L261 WeakPolarHBondContact O-CG 3.35Å; L257-L261 PolarHBondContact O-N 2.79Å; L257-L267 HydrophobicContact CD1-CD1 4.24Å; L257-R273 HydrophobicContact CD1-CB 3.87Å; L257-R273 HydrophobicContact CD1-CG 4.15Å; L257-I277 HydrophobicContact CD1-CD1 4.34Å; L257-I277 HydrophobicContact CD2-CD1 4.19Å; L257-I277 HydrophobicContact CD2-CG1 4.11Å
258M97.9Very high97.1Very high32 Ų3253.2 Ų53.216%0.15830%0.301CS..Hα-helixtrans-61.7-40.2178.3-174.66171.700112Y253 S254 D255 K262Y253-M258 HydrophobicContact CD2-CE 3.83Å; Y253-M258 HydrophobicContact CG-CE 4.39Å; S254-M258 WeakPolarHBondContact O-CB 3.34Å; S254-M258 PolarHBondContact O-N 3.12Å; D255-M258 PolarHBondContact O-N 2.94Å; M258-K262 HydrophobicContact CG-CD 4.27Å; M258-K262 WeakPolarHBondContact O-CB 3.5Å; M258-K262 VanDerWaalsContact O-CG 3.28Å; M258-K262 WeakPolarHBondContact O-CG 3.47Å; M258-K262 PolarHBondContact O-N 3.3Å
259E97.8Very high97Very high126 Ų12655.1 Ų55.159%0.58932%0.315SS*.Hα-helixtrans-64.7-45.1174.1-76.4-173.4134.200112.2D255 L257 L261 K262 N263D255-E259 WeakPolarHBondContact O-CB 3.15Å; D255-E259 WeakPolarHBondContact O-CG 3.26Å; D255-E259 PolarHBondContact O-N 3.2Å; L257-E259 VanDerWaalsContact C-N 3.33Å; L257-E259 PolarHBondContact O-N 3.2Å; E259-L261 VanDerWaalsContact C-N 3.31Å; E259-L261 PolarHBondContact O-N 3.27Å; E259-K262 PolarHBondContact O-N 3.2Å; E259-N263 WeakPolarHBondContact O-CB 3.42Å; E259-N263 VanDerWaalsContact O-CG 3.23Å; E259-N263 PolarHBondContact O-N 3.19Å; E259-N263 PolarHBondContact O-ND2 3.11Å
260A97.3Very high96.9Very high7 Ų755.3 Ų55.36%0.05832%0.317CS..Hα-helixtrans-56.4-46.2175.700000111.7A256 L257 N263 G264 E265A256-A260 WeakPolarHBondContact O-CB 3.36Å; A256-A260 PolarHBondContact O-N 2.95Å; L257-A260 PolarHBondContact O-N 3.34Å; A260-N263 PolarHBondContact O-N 3.08Å; A260-G264 PolarHBondContact O-N 3.42Å; A260-E265 HydrophobicContact CB-CB 4.26Å; A260-E265 WeakPolarHBondContact CB-OE2 3.09Å; A260-E265 VanDerWaalsContact O-CB 3.24Å; A260-E265 WeakPolarHBondContact O-CB 3.39Å; A260-E265 PolarHBondContact O-N 2.86Å
261L95.8Very high96.9Very high5 Ų557.1 Ų57.13%0.02633%0.326CS..Hα-helixtrans-64.7-41.9177.4-66-176.1000112.4Y253 L257 E259 N263 G264 L267 P330 H332Y253-L261 HydrophobicContact CD2-CD1 3.83Å; Y253-L261 HydrophobicContact CE2-CD1 3.69Å; L257-L261 HydrophobicContact CD1-CD1 4.38Å; L257-L261 HydrophobicContact CD1-CG 4.15Å; L257-L261 HydrophobicContact CG-CD1 4.37Å; L257-L261 VanDerWaalsContact O-CG 3.31Å; L257-L261 WeakPolarHBondContact O-CG 3.35Å; L257-L261 PolarHBondContact O-N 2.79Å; E259-L261 VanDerWaalsContact C-N 3.31Å; E259-L261 PolarHBondContact O-N 3.27Å; L261-N263 VanDerWaalsContact C-N 3.25Å; L261-N263 PolarHBondContact O-N 3.27Å; L261-G264 PolarHBondContact O-N 3Å; L261-L267 HydrophobicContact CD2-CD1 4.03Å; L261-L267 HydrophobicContact CD2-CG 4.43Å; L261-P330 HydrophobicContact CB-CB 4.11Å; L261-P330 HydrophobicContact CB-CG 4.32Å; L261-H332 HydrophobicContact CD2-CB 3.8Å
262K95.1Very high96.9Very high130 Ų13061 Ų6157%0.56534%0.341SS*.Hα-helixtrans-64.1-31.1176.3-76.6172.6-179.7172.60112.8M258 E259 G264 P330M258-K262 HydrophobicContact CG-CD 4.27Å; M258-K262 WeakPolarHBondContact O-CB 3.5Å; M258-K262 VanDerWaalsContact O-CG 3.28Å; M258-K262 WeakPolarHBondContact O-CG 3.47Å; M258-K262 PolarHBondContact O-N 3.3Å; E259-K262 PolarHBondContact O-N 3.2Å; K262-G264 PolarHBondContact O-N 3.38Å; K262-P330 HydrophobicContact CB-CG 4.38Å; K262-P330 HydrophobicContact CG-CG 3.71Å
263N94.9Very high96.8Very high139 Ų13958.8 Ų58.874%0.74333%0.329SS*.THydrogen-bonded Turntrans-78.70.3175-67.3-25.9000113.1E259 A260 L261 E265E259-N263 WeakPolarHBondContact O-CB 3.42Å; E259-N263 VanDerWaalsContact O-CG 3.23Å; E259-N263 PolarHBondContact O-N 3.19Å; E259-N263 PolarHBondContact O-ND2 3.11Å; A260-N263 PolarHBondContact O-N 3.08Å; L261-N263 VanDerWaalsContact C-N 3.25Å; L261-N263 PolarHBondContact O-N 3.27Å; N263-E265 VanDerWaalsContact C-N 3.29Å; N263-E265 PolarHBondContact O-N 2.65Å
264G92Very high96.8Very high43 Ų4358.1 Ų58.144%0.44333%0.326SS..THydrogen-bonded Turntrans71.223.4-179.200000113.4A260 L261 K262 L266A260-G264 PolarHBondContact O-N 3.42Å; L261-G264 PolarHBondContact O-N 3Å; K262-G264 PolarHBondContact O-N 3.38Å; G264-L266 PolarHBondContact O-N 2.99Å
265E95Very high96.8Very high79 Ų7957 Ų5737%0.36932%0.318SS..  trans-61.3128.5178.3-169.2-178.8145.600110.4A260 N263 L267 R273A260-E265 HydrophobicContact CB-CB 4.26Å; A260-E265 WeakPolarHBondContact CB-OE2 3.09Å; A260-E265 VanDerWaalsContact O-CB 3.24Å; A260-E265 WeakPolarHBondContact O-CB 3.39Å; A260-E265 PolarHBondContact O-N 2.86Å; N263-E265 VanDerWaalsContact C-N 3.29Å; N263-E265 PolarHBondContact O-N 2.65Å; E265-L267 PolarHBondContact O-N 2.64Å; E265-R273 IonicContact OE1-CZ 3.23Å; E265-R273 VanDerWaalsContact OE1-CZ 3.24Å; E265-R273 IonicContact OE1-NH1 2.93Å; E265-R273 PolarHBondContact OE1-NH1 3.45Å; E265-R273 IonicContact OE1-NH2 3.85Å; E265-R273 PolarHBondContact OE1-NH2 3.42Å; E265-R273 IonicContact OE2-NH1 3.95Å; E265-R273 PolarHBondContact OE2-NH1 3.5Å
266L94.8Very high96.8Very high96 Ų9650.3 Ų50.350%0.50328%0.283SS..BIsolated β-bridgetrans-74.4125.6171.1-62.8-178.7000108.9W79 G264 P268 H333W79-L266 HydrophobicContact CH2-CD2 3.6Å; W79-L266 HydrophobicContact CZ3-CD2 4.18Å; G264-L266 PolarHBondContact O-N 2.99Å; L266-P268 WeakPolarHBondContact O-CD 3.45Å; L266-H333 WeakPolarHBondContact CA-O 3.2Å; L266-H333 HydrophobicContact CD2-CB 3.54Å
267L96.6Very high96.9Very high0 Ų047.3 Ų47.30%026%0.257CS..  trans-95110.1172-54.9-172.2000108L257 L261 E265 R273 E274 I277 H332 H333 T334L257-L267 HydrophobicContact CD1-CD1 4.24Å; L261-L267 HydrophobicContact CD2-CD1 4.03Å; L261-L267 HydrophobicContact CD2-CG 4.43Å; E265-L267 PolarHBondContact O-N 2.64Å; L267-R273 HydrophobicContact CD1-CB 4Å; L267-E274 HydrophobicContact CB-CB 4.04Å; L267-I277 HydrophobicContact CD1-CD1 4.03Å; L267-H332 HydrophobicContact CD1-CB 4.07Å; L267-H333 PolarHBondContact N-O 3.05Å; L267-T334 WeakPolarHBondContact O-CA 3.33Å; L267-T334 VanDerWaalsContact O-CB 3.24Å; L267-T334 WeakPolarHBondContact O-CB 3.37Å; L267-T334 VanDerWaalsContact O-CG2 3.25Å; L267-T334 WeakPolarHBondContact O-CG2 3.33Å; L267-T334 PolarHBondContact O-OG1 3.23Å
268P96.6Very high96.9Very high79 Ų7947.3 Ų47.351%0.51326%0.257SS..  trans-59152.6178.3-24.134.5000112.1L266 G270 D271L266-P268 WeakPolarHBondContact O-CD 3.45Å; P268-G270 PolarHBondContact O-N 3.01Å; P268-D271 WeakPolarHBondContact O-CB 3.5Å; P268-D271 PolarHBondContact O-N 3.36Å
269S96.6Very high96.9Very high51 Ų5145.8 Ų45.836%0.35725%0.25SC..THydrogen-bonded Turntrans-61.7127.7173.2-178.40000110D271S269-D271 VanDerWaalsContact C-N 3.34Å
270G96.8Very high97Very high37 Ų3739.8 Ų39.838%0.38122%0.222SC..THydrogen-bonded Turntrans85.50.8-173.300000114.4P268 E274P268-G270 PolarHBondContact O-N 3.01Å; G270-E274 WeakPolarHBondContact CA-OE2 3.27Å; G270-E274 PolarHBondContact N-OE2 3.49Å
271D97.9Very high97Very high38 Ų3839.4 Ų39.420%0.20322%0.219CC..  trans-60.5139.5166.6-176.8-73.7000109.1P268 S269 R273 E274 V275P268-D271 WeakPolarHBondContact O-CB 3.5Å; P268-D271 PolarHBondContact O-N 3.36Å; S269-D271 VanDerWaalsContact C-N 3.34Å; D271-R273 PolarHBondContact O-N 3.5Å; D271-R273 VanDerWaalsContact OD1-CB 3.26Å; D271-R273 WeakPolarHBondContact OD1-CB 3.1Å; D271-R273 IonicContact OD1-CZ 3.88Å; D271-R273 PolarHBondContact OD1-N 3.31Å; D271-R273 IonicContact OD1-NE 3.08Å; D271-R273 PolarHBondContact OD1-NE 2.88Å; D271-R273 VanDerWaalsContact OD1-NE 3.08Å; D271-R273 IonicContact OD1-NH2 3.79Å; D271-R273 IonicContact OD2-CZ 3.88Å; D271-R273 IonicContact OD2-NE 3.75Å; D271-R273 IonicContact OD2-NH2 3.11Å; D271-R273 PolarHBondContact OD2-NH2 3.25Å; D271-R273 VanDerWaalsContact OD2-NH2 3.11Å; D271-E274 HydrophobicContact CB-CB 4.18Å; D271-E274 WeakPolarHBondContact O-CB 3.37Å; D271-E274 PolarHBondContact O-N 2.8Å; D271-E274 VanDerWaalsContact O-N 3.11Å; D271-V275 WeakPolarHBondContact O-CG2 3.32Å; D271-V275 PolarHBondContact O-N 3.32Å
272R98.3Very high97.2Very high86 Ų8639.2 Ų39.233%0.32522%0.218SC..Hα-helixtrans-51.9-43.1-178.7-175-173.654.276.22.1111.9D20 Y197 V275 E276D20-R272 IonicContact OD2-CZ 3.51Å; D20-R272 IonicContact OD2-NH1 3.5Å; D20-R272 PolarHBondContact OD2-NH1 3.23Å; D20-R272 IonicContact OD2-NH2 2.67Å; D20-R272 PolarHBondContact OD2-NH2 3.16Å; Y197-R272 HydrophobicContact CD2-CG 4.39Å; Y197-R272 HydrophobicContact CE2-CG 3.64Å; R272-V275 PolarHBondContact O-N 2.88Å; R272-E276 WeakPolarHBondContact CG-OE1 3.43Å; R272-E276 IonicContact CZ-OE1 3.09Å; R272-E276 IonicContact NH1-OE1 2.86Å; R272-E276 PolarHBondContact NH1-OE1 3.28Å; R272-E276 IonicContact NH1-OE2 2.7Å; R272-E276 PolarHBondContact NH1-OE2 3.35Å; R272-E276 VanDerWaalsContact NH1-OE2 3.17Å; R272-E276 WeakPolarHBondContact O-CB 3.17Å; R272-E276 VanDerWaalsContact O-CG 3.24Å; R272-E276 WeakPolarHBondContact O-CG 3.4Å; R272-E276 PolarHBondContact O-N 3Å
273R98.4Very high97.4Very high43 Ų4335 Ų3516%0.16220%0.198CC..Hα-helixtrans-69.4-40.5-178.3-62.9166.3-67.3172.90.7111.5L257 E265 L267 D271 E276 I277L257-R273 HydrophobicContact CD1-CB 3.87Å; L257-R273 HydrophobicContact CD1-CG 4.15Å; E265-R273 IonicContact OE1-CZ 3.23Å; E265-R273 VanDerWaalsContact OE1-CZ 3.24Å; E265-R273 IonicContact OE1-NH1 2.93Å; E265-R273 PolarHBondContact OE1-NH1 3.45Å; E265-R273 IonicContact OE1-NH2 3.85Å; E265-R273 PolarHBondContact OE1-NH2 3.42Å; E265-R273 IonicContact OE2-NH1 3.95Å; E265-R273 PolarHBondContact OE2-NH1 3.5Å; L267-R273 HydrophobicContact CD1-CB 4Å; D271-R273 PolarHBondContact O-N 3.5Å; D271-R273 VanDerWaalsContact OD1-CB 3.26Å; D271-R273 WeakPolarHBondContact OD1-CB 3.1Å; D271-R273 IonicContact OD1-CZ 3.88Å; D271-R273 PolarHBondContact OD1-N 3.31Å; D271-R273 IonicContact OD1-NE 3.08Å; D271-R273 PolarHBondContact OD1-NE 2.88Å; D271-R273 VanDerWaalsContact OD1-NE 3.08Å; D271-R273 IonicContact OD1-NH2 3.79Å; D271-R273 IonicContact OD2-CZ 3.88Å; D271-R273 IonicContact OD2-NE 3.75Å; D271-R273 IonicContact OD2-NH2 3.11Å; D271-R273 PolarHBondContact OD2-NH2 3.25Å; D271-R273 VanDerWaalsContact OD2-NH2 3.11Å; R273-E276 PolarHBondContact O-N 2.87Å; R273-I277 VanDerWaalsContact O-CG1 3.26Å; R273-I277 WeakPolarHBondContact O-CG1 3.26Å; R273-I277 PolarHBondContact O-N 3.47Å
274E98.1Very high97.6Very high1 Ų128.3 Ų28.31%0.00516%0.163CC..Hα-helixtrans-60.9-49.7174174.5-92.2158.600111L267 G270 D271 E276 I277 R278 T334 Y339L267-E274 HydrophobicContact CB-CB 4.04Å; G270-E274 WeakPolarHBondContact CA-OE2 3.27Å; G270-E274 PolarHBondContact N-OE2 3.49Å; D271-E274 HydrophobicContact CB-CB 4.18Å; D271-E274 WeakPolarHBondContact O-CB 3.37Å; D271-E274 PolarHBondContact O-N 2.8Å; D271-E274 VanDerWaalsContact O-N 3.11Å; E274-E276 VanDerWaalsContact C-N 3.33Å; E274-E276 PolarHBondContact O-N 2.7Å; E274-I277 PolarHBondContact O-N 2.82Å; E274-R278 WeakPolarHBondContact O-CG 3.44Å; E274-R278 PolarHBondContact O-N 2.77Å; E274-R278 VanDerWaalsContact O-N 3.08Å; E274-R278 WeakPolarHBondContact OE1-CD 3.39Å; E274-R278 IonicContact OE1-CZ 2.71Å; E274-R278 IonicContact OE1-NE 2.78Å; E274-R278 IonicContact OE1-NH1 3.46Å; E274-R278 PolarHBondContact OE1-NH1 2.91Å; E274-T334 HydrophobicContact CG-CG2 4.45Å; E274-Y339 WeakPolarHBondContact CG-OH 3.49Å; E274-Y339 WeakPolarHBondContact OE1-CE1 3.24Å; E274-Y339 PolarHBondContact OE1-OH 2.68Å
275V98.6Very high97.9Very high0 Ų026.3 Ų26.30%014%0.142CC..Hα-helixtrans-59.3-43.6176.4170.60000111.5V14 A195 Y197 I202 F204 D271 R272 R278 G279V14-V275 HydrophobicContact CG1-CG1 4.28Å; V14-V275 HydrophobicContact CG2-CG1 3.8Å; A195-V275 HydrophobicContact CB-CG2 3.94Å; Y197-V275 HydrophobicContact CD2-CB 4.03Å; Y197-V275 HydrophobicContact CD2-CG1 3.41Å; Y197-V275 VanDerWaalsContact CD2-CG1 3.41Å; Y197-V275 HydrophobicContact CE2-CG1 4.08Å; Y197-V275 HydrophobicContact CG-CG1 3.84Å; I202-V275 HydrophobicContact CD1-CG1 3.45Å; I202-V275 VanDerWaalsContact CD1-CG1 3.45Å; F204-V275 HydrophobicContact CE2-CG1 4.44Å; F204-V275 HydrophobicContact CE2-CG2 4.48Å; F204-V275 HydrophobicContact CZ-CG1 4.06Å; D271-V275 WeakPolarHBondContact O-CG2 3.32Å; D271-V275 PolarHBondContact O-N 3.32Å; R272-V275 PolarHBondContact O-N 2.88Å; V275-R278 PolarHBondContact O-N 3.47Å; V275-G279 PolarHBondContact O-N 3.14Å
276E98.8Very high98.1Very high0 Ų022.6 Ų22.60%013%0.125CC..Hα-helixtrans-61.5-44.6177-78.6176.4-164.300112.2V14 S18 K19 D20 V21 Y197 R272 R273 E274 R278 C280V14-E276 HydrophobicContact CG1-CB 4.49Å; V14-E276 HydrophobicContact CG1-CG 4.23Å; S18-E276 PolarHBondContact OG-OE2 3.46Å; K19-E276 VanDerWaalsContact N-CD 3.28Å; K19-E276 PolarHBondContact N-OE1 3.44Å; K19-E276 VanDerWaalsContact N-OE1 3.08Å; K19-E276 PolarHBondContact N-OE2 2.86Å; K19-E276 VanDerWaalsContact N-OE2 3.15Å; D20-E276 WeakPolarHBondContact CA-OE2 3.12Å; D20-E276 WeakPolarHBondContact CB-OE2 3.39Å; D20-E276 PolarHBondContact N-OE2 2.96Å; V21-E276 HydrophobicContact CB-CB 4.26Å; V21-E276 HydrophobicContact CG2-CB 3.88Å; Y197-E276 HydrophobicContact CE2-CG 3.84Å; Y197-E276 WeakPolarHBondContact OH-CG 3.46Å; Y197-E276 PolarHBondContact OH-OE1 3.45Å; R272-E276 WeakPolarHBondContact CG-OE1 3.43Å; R272-E276 IonicContact CZ-OE1 3.09Å; R272-E276 IonicContact NH1-OE1 2.86Å; R272-E276 PolarHBondContact NH1-OE1 3.28Å; R272-E276 IonicContact NH1-OE2 2.7Å; R272-E276 PolarHBondContact NH1-OE2 3.35Å; R272-E276 VanDerWaalsContact NH1-OE2 3.17Å; R272-E276 WeakPolarHBondContact O-CB 3.17Å; R272-E276 VanDerWaalsContact O-CG 3.24Å; R272-E276 WeakPolarHBondContact O-CG 3.4Å; R272-E276 PolarHBondContact O-N 3Å; R273-E276 PolarHBondContact O-N 2.87Å; E274-E276 VanDerWaalsContact C-N 3.33Å; E274-E276 PolarHBondContact O-N 2.7Å; E276-R278 VanDerWaalsContact C-N 3.35Å; E276-R278 PolarHBondContact O-N 3.06Å; E276-C280 WeakPolarHBondContact O-CB 3.49Å; E276-C280 PolarHBondContact O-N 3.04Å; E276-C280 PolarHBondContact O-SG 3.35Å; E276-C280 VanDerWaalsContact O-SG 3.33Å
277I98.8Very high98.3Very high0 Ų020.3 Ų20.30%011%0.113CC..Hα-helixtrans-58.7-48.7176.9-69.8166.1000110.4V21 P242 Y253 L257 L267 R273 E274 S281 H332V21-I277 HydrophobicContact CG2-CG1 3.75Å; P242-I277 HydrophobicContact CB-CG2 3.61Å; P242-I277 HydrophobicContact CG-CG2 3.84Å; Y253-I277 HydrophobicContact CE1-CG1 4.16Å; L257-I277 HydrophobicContact CD1-CD1 4.34Å; L257-I277 HydrophobicContact CD2-CD1 4.19Å; L257-I277 HydrophobicContact CD2-CG1 4.11Å; L267-I277 HydrophobicContact CD1-CD1 4.03Å; R273-I277 VanDerWaalsContact O-CG1 3.26Å; R273-I277 WeakPolarHBondContact O-CG1 3.26Å; R273-I277 PolarHBondContact O-N 3.47Å; E274-I277 PolarHBondContact O-N 2.82Å; I277-S281 VanDerWaalsContact O-CB 3.24Å; I277-S281 WeakPolarHBondContact O-CB 3.19Å; I277-S281 PolarHBondContact O-N 3.15Å; I277-S281 VanDerWaalsContact O-N 3.11Å; I277-S281 PolarHBondContact O-OG 3.42Å; I277-H332 HydrophobicContact CD1-CB 3.75Å
278R98.6Very high98.4Very high1 Ų120.3 Ų20.30%0.00411%0.113CC..Hα-helixtrans-69.2-47.3-177.5-67.6-177.879.1-155.6-3.6112.2D193 F204 A237 E274 V275 E276 S281 I282 Y339D193-R278 IonicContact OD1-CZ 3.73Å; D193-R278 IonicContact OD1-NH1 2.79Å; D193-R278 PolarHBondContact OD1-NH1 2.76Å; D193-R278 IonicContact OD1-NH2 2.95Å; D193-R278 IonicContact OD2-CZ 3.17Å; D193-R278 IonicContact OD2-NH1 3.24Å; D193-R278 IonicContact OD2-NH2 2.7Å; D193-R278 PolarHBondContact OD2-NH2 3.49Å; F204-R278 HydrophobicContact CD1-CB 4.44Å; F204-R278 HydrophobicContact CD2-CB 4.46Å; F204-R278 HydrophobicContact CE1-CB 3.98Å; F204-R278 HydrophobicContact CE2-CB 3.99Å; F204-R278 HydrophobicContact CZ-CB 3.7Å; A237-R278 HydrophobicContact CB-CB 3.79Å; A237-R278 HydrophobicContact CB-CG 4.11Å; A237-R278 PolarHBondContact O-NE 2.83Å; A237-R278 PolarHBondContact O-NH2 3.48Å; E274-R278 WeakPolarHBondContact O-CG 3.44Å; E274-R278 PolarHBondContact O-N 2.77Å; E274-R278 VanDerWaalsContact O-N 3.08Å; E274-R278 WeakPolarHBondContact OE1-CD 3.39Å; E274-R278 IonicContact OE1-CZ 2.71Å; E274-R278 IonicContact OE1-NE 2.78Å; E274-R278 IonicContact OE1-NH1 3.46Å; E274-R278 PolarHBondContact OE1-NH1 2.91Å; V275-R278 PolarHBondContact O-N 3.47Å; E276-R278 VanDerWaalsContact C-N 3.35Å; E276-R278 PolarHBondContact O-N 3.06Å; R278-S281 WeakPolarHBondContact O-CB 3.42Å; R278-S281 PolarHBondContact O-N 3.13Å; R278-I282 PolarHBondContact O-N 2.9Å; R278-Y339 VanDerWaalsContact CZ-CE1 3.48Å
279G98.7Very high98.5Very high0 Ų017 Ų170%09%0.09CC..Hα-helixtrans-64.8-46-179.800000113.3G11 V275 S281 I282 W283G11-G279 VanDerWaalsContact CA-O 3.23Å; G11-G279 WeakPolarHBondContact CA-O 3.48Å; V275-G279 PolarHBondContact O-N 3.14Å; G279-S281 VanDerWaalsContact C-N 3.29Å; G279-S281 PolarHBondContact O-N 3.34Å; G279-I282 PolarHBondContact O-N 2.71Å; G279-W283 PolarHBondContact O-N 3.07Å
280C98.9Very high98.5Very high0 Ų019.7 Ų19.70%010%0.097CC..Hα-helixtrans-65.3-33.9176-70.90000112V21 I23 L251 E276 W283 S284V21-C280 HydrophobicContact CB-CB 4.12Å; V21-C280 HydrophobicContact CG1-CB 3.46Å; V21-C280 VanDerWaalsContact CG1-CB 3.46Å; V21-C280 PolarHBondContact O-SG 3.06Å; V21-C280 VanDerWaalsContact O-SG 3.41Å; I23-C280 HydrophobicContact CD1-CB 4.47Å; I23-C280 HydrophobicContact CG1-CB 4.27Å; L251-C280 HydrophobicContact CD2-CB 4.03Å; E276-C280 WeakPolarHBondContact O-CB 3.49Å; E276-C280 PolarHBondContact O-N 3.04Å; E276-C280 PolarHBondContact O-SG 3.35Å; E276-C280 VanDerWaalsContact O-SG 3.33Å; C280-W283 PolarHBondContact O-N 2.7Å; C280-S284 WeakPolarHBondContact O-CB 3.19Å; C280-S284 PolarHBondContact O-N 3.08Å; C280-S284 PolarHBondContact O-OG 3.11Å
281S98.8Very high98.6Very high0 Ų021.5 Ų21.50%09%0.092CC..Hα-helixtrans-62.6-48.1174.7-64.30000111.4P242 L251 I277 R278 G279 W283 S284 V285P242-S281 WeakPolarHBondContact CB-OG 3.49Å; P242-S281 VanDerWaalsContact CG-OG 3.31Å; P242-S281 WeakPolarHBondContact CG-OG 3.37Å; L251-S281 WeakPolarHBondContact CD1-OG 3.47Å; I277-S281 VanDerWaalsContact O-CB 3.24Å; I277-S281 WeakPolarHBondContact O-CB 3.19Å; I277-S281 PolarHBondContact O-N 3.15Å; I277-S281 VanDerWaalsContact O-N 3.11Å; I277-S281 PolarHBondContact O-OG 3.42Å; R278-S281 WeakPolarHBondContact O-CB 3.42Å; R278-S281 PolarHBondContact O-N 3.13Å; G279-S281 VanDerWaalsContact C-N 3.29Å; G279-S281 PolarHBondContact O-N 3.34Å; S281-W283 PolarHBondContact O-N 3.4Å; S281-S284 PolarHBondContact O-N 3.15Å; S281-S284 PolarHBondContact O-OG 3.22Å; S281-V285 PolarHBondContact O-N 2.69Å
282I98.8Very high98.7Very high0 Ų019.7 Ų19.70%08%0.083CC..Hα-helixtrans-54.9-55.5174.3-71.9169.7000110.8F204 T234 M235 A237 R278 G279 S284 V285 E286F204-I282 HydrophobicContact CD1-CD1 3.47Å; F204-I282 VanDerWaalsContact CD1-CD1 3.47Å; F204-I282 HydrophobicContact CE1-CD1 4.02Å; F204-I282 HydrophobicContact CG-CD1 4.49Å; T234-I282 HydrophobicContact CG2-CG2 3.79Å; M235-I282 HydrophobicContact CG-CB 4.49Å; M235-I282 HydrophobicContact CG-CG1 4.2Å; M235-I282 HydrophobicContact SD-CB 4.34Å; M235-I282 HydrophobicContact SD-CG1 3.63Å; A237-I282 HydrophobicContact CB-CD1 3.95Å; A237-I282 HydrophobicContact CB-CG1 3.98Å; R278-I282 PolarHBondContact O-N 2.9Å; G279-I282 PolarHBondContact O-N 2.71Å; I282-S284 VanDerWaalsContact C-N 3.32Å; I282-S284 PolarHBondContact O-N 2.98Å; I282-V285 PolarHBondContact O-N 2.97Å; I282-E286 PolarHBondContact O-N 2.96Å; I282-E286 VanDerWaalsContact O-N 3.17Å
283W98.9Very high98.6Very high41 Ų4118.3 Ų18.316%0.1558%0.08CC..Hα-helixtrans-65.2-37.6-174.5-169.6-124.9000112.8R8 Q12 A15 I23 G279 C280 S281 V285 E286 L287R8-W283 HydrophobicContact CG-CZ3 4.3Å; Q12-W283 HydrophobicContact CB-CD2 3.77Å; Q12-W283 HydrophobicContact CB-CE3 3.6Å; Q12-W283 HydrophobicContact CB-CG 4.45Å; Q12-W283 HydrophobicContact CB-CH2 4.07Å; Q12-W283 HydrophobicContact CB-CZ2 4.21Å; Q12-W283 HydrophobicContact CB-CZ3 3.77Å; Q12-W283 HydrophobicContact CG-CD2 4.08Å; Q12-W283 HydrophobicContact CG-CE3 4.2Å; Q12-W283 HydrophobicContact CG-CH2 3.88Å; Q12-W283 HydrophobicContact CG-CZ2 3.71Å; Q12-W283 HydrophobicContact CG-CZ3 4.11Å; A15-W283 HydrophobicContact CB-CB 3.84Å; A15-W283 VanDerWaalsContact CB-CD1 3.47Å; A15-W283 HydrophobicContact CB-CG 3.89Å; I23-W283 HydrophobicContact CD1-CB 4.1Å; I23-W283 HydrophobicContact CD1-CG 4.24Å; G279-W283 PolarHBondContact O-N 3.07Å; C280-W283 PolarHBondContact O-N 2.7Å; S281-W283 PolarHBondContact O-N 3.4Å; W283-V285 VanDerWaalsContact C-N 3.29Å; W283-V285 PolarHBondContact O-N 3.01Å; W283-E286 HydrophobicContact CE3-CB 3.96Å; W283-E286 HydrophobicContact CE3-CG 4.18Å; W283-E286 HydrophobicContact CZ3-CB 4.1Å; W283-E286 HydrophobicContact CZ3-CG 4.43Å; W283-E286 PolarHBondContact O-N 2.76Å; W283-L287 HydrophobicContact CZ2-CD2 4.2Å; W283-L287 WeakPolarHBondContact O-CG 3.31Å; W283-L287 PolarHBondContact O-N 2.87Å
284S98.8Very high98.6Very high0 Ų022 Ų220%010%0.097CC..Hα-helixtrans-62.4-35.7177.873.60000112.8C280 S281 I282 L287 I288C280-S284 WeakPolarHBondContact O-CB 3.19Å; C280-S284 PolarHBondContact O-N 3.08Å; C280-S284 PolarHBondContact O-OG 3.11Å; S281-S284 PolarHBondContact O-N 3.15Å; S281-S284 PolarHBondContact O-OG 3.22Å; I282-S284 VanDerWaalsContact C-N 3.32Å; I282-S284 PolarHBondContact O-N 2.98Å; S284-L287 PolarHBondContact O-N 3.22Å; S284-I288 VanDerWaalsContact O-CG1 3.27Å; S284-I288 WeakPolarHBondContact O-CG1 3.38Å; S284-I288 PolarHBondContact O-N 3Å
285V98.8Very high98.6Very high0 Ų022.4 Ų22.40%010%0.099CC..Hα-helixtrans-73.4-34.3175.9176.80000111.7M235 L245 S281 I282 W283 L287 I288 K289 I311 L315M235-V285 HydrophobicContact CB-CB 3.94Å; M235-V285 HydrophobicContact CB-CG1 3.94Å; M235-V285 HydrophobicContact CB-CG2 3.93Å; M235-V285 HydrophobicContact CG-CB 3.7Å; M235-V285 HydrophobicContact CG-CG1 4.27Å; M235-V285 HydrophobicContact CG-CG2 3.66Å; L245-V285 HydrophobicContact CD1-CG2 4.22Å; L245-V285 HydrophobicContact CD2-CG2 4.27Å; S281-V285 PolarHBondContact O-N 2.69Å; I282-V285 PolarHBondContact O-N 2.97Å; W283-V285 VanDerWaalsContact C-N 3.29Å; W283-V285 PolarHBondContact O-N 3.01Å; V285-L287 VanDerWaalsContact C-N 3.32Å; V285-L287 PolarHBondContact O-N 3.35Å; V285-I288 PolarHBondContact O-N 2.85Å; V285-K289 WeakPolarHBondContact O-CB 3.43Å; V285-K289 PolarHBondContact O-N 3.16Å; V285-I311 HydrophobicContact CG1-CB 4Å; V285-I311 HydrophobicContact CG1-CD1 4.18Å; V285-I311 HydrophobicContact CG1-CG2 3.73Å; V285-L315 HydrophobicContact CG2-CD1 3.95Å
286E98.8Very high98.6Very high2 Ų222.9 Ų22.91%0.00910%0.102CC..Hα-helixtrans-61.1-42.7170.6-60.4-59.513000111.1R8 I282 W283 I288 K289 E290 S308R8-E286 HydrophobicContact CG-CG 4.22Å; R8-E286 IonicContact CZ-OE2 3.2Å; R8-E286 IonicContact NE-OE2 2.85Å; R8-E286 PolarHBondContact NE-OE2 3.35Å; R8-E286 IonicContact NH2-OE1 3.36Å; R8-E286 IonicContact NH2-OE2 3.15Å; R8-E286 PolarHBondContact NH2-OE2 3.07Å; I282-E286 PolarHBondContact O-N 2.96Å; I282-E286 VanDerWaalsContact O-N 3.17Å; W283-E286 HydrophobicContact CE3-CB 3.96Å; W283-E286 HydrophobicContact CE3-CG 4.18Å; W283-E286 HydrophobicContact CZ3-CB 4.1Å; W283-E286 HydrophobicContact CZ3-CG 4.43Å; W283-E286 PolarHBondContact O-N 2.76Å; E286-I288 PolarHBondContact O-N 3.12Å; E286-K289 WeakPolarHBondContact O-CB 3.47Å; E286-K289 PolarHBondContact O-N 3.35Å; E286-K289 WeakPolarHBondContact OE2-CE 3.42Å; E286-K289 IonicContact OE2-NZ 3.95Å; E286-K289 PolarHBondContact OE2-NZ 3.12Å; E286-E290 WeakPolarHBondContact O-CG 3.33Å; E286-E290 PolarHBondContact O-N 2.95Å; E286-S308 VanDerWaalsContact CD-OG 3.22Å; E286-S308 VanDerWaalsContact OE1-CB 3.25Å; E286-S308 WeakPolarHBondContact OE1-CB 3.4Å; E286-S308 PolarHBondContact OE1-OG 3.44Å; E286-S308 PolarHBondContact OE2-OG 3.28Å
287L98.9Very high98.5Very high48 Ų4827.8 Ų27.825%0.25113%0.125SC..Hα-helixtrans-64.2-38.9175.1-65.8173.2000112.6I23 V28 W283 S284 V285 R291I23-L287 HydrophobicContact CD1-CD1 4.32Å; I23-L287 HydrophobicContact CG2-CD1 4.09Å; V28-L287 HydrophobicContact CG1-CB 3.98Å; V28-L287 HydrophobicContact CG2-CB 4.42Å; W283-L287 HydrophobicContact CZ2-CD2 4.2Å; W283-L287 WeakPolarHBondContact O-CG 3.31Å; W283-L287 PolarHBondContact O-N 2.87Å; S284-L287 PolarHBondContact O-N 3.22Å; V285-L287 VanDerWaalsContact C-N 3.32Å; V285-L287 PolarHBondContact O-N 3.35Å; L287-R291 WeakPolarHBondContact O-CB 3.26Å; L287-R291 PolarHBondContact O-N 3.08Å
288I98.9Very high98.4Very high0 Ų033.8 Ų33.80%015%0.153CC..Hα-helixtrans-61.5-46.1172.8-71.1161.4000110.2V28 V31 A32 L35 L245 V250 S284 V285 E286 R291 L292 I311V28-I288 HydrophobicContact CB-CG1 4.33Å; V28-I288 HydrophobicContact CG1-CG1 3.95Å; V28-I288 HydrophobicContact CG2-CG1 4.41Å; V31-I288 HydrophobicContact CB-CD1 4.06Å; V31-I288 HydrophobicContact CB-CG1 4.32Å; V31-I288 HydrophobicContact CG1-CD1 3.76Å; V31-I288 HydrophobicContact CG1-CG1 4.27Å; V31-I288 HydrophobicContact CG1-CG2 3.99Å; A32-I288 HydrophobicContact CB-CG2 4.44Å; L35-I288 HydrophobicContact CD1-CG2 3.58Å; L245-I288 HydrophobicContact CD2-CD1 4.18Å; V250-I288 HydrophobicContact CG1-CD1 4.12Å; V250-I288 HydrophobicContact CG2-CD1 4.12Å; S284-I288 VanDerWaalsContact O-CG1 3.27Å; S284-I288 WeakPolarHBondContact O-CG1 3.38Å; S284-I288 PolarHBondContact O-N 3Å; V285-I288 PolarHBondContact O-N 2.85Å; E286-I288 PolarHBondContact O-N 3.12Å; I288-R291 PolarHBondContact O-N 2.97Å; I288-L292 VanDerWaalsContact O-CB 3.31Å; I288-L292 WeakPolarHBondContact O-CB 3.05Å; I288-L292 PolarHBondContact O-N 2.88Å; I288-I311 HydrophobicContact CG2-CD1 4.41Å
289K98.6Very high98.3Very high10 Ų1040 Ų404%0.04318%0.18CC..Hα-helixtrans-58.6-50.1178.1-177.1-176.968.9176.40111D231 V285 E286 R291 L292 H293 I311D231-K289 VanDerWaalsContact CG-NZ 3.32Å; D231-K289 IonicContact OD1-NZ 2.71Å; D231-K289 PolarHBondContact OD1-NZ 3.39Å; D231-K289 IonicContact OD2-NZ 3.92Å; D231-K289 PolarHBondContact OD2-NZ 3.39Å; D231-K289 VanDerWaalsContact OD2-NZ 3.09Å; V285-K289 WeakPolarHBondContact O-CB 3.43Å; V285-K289 PolarHBondContact O-N 3.16Å; E286-K289 WeakPolarHBondContact O-CB 3.47Å; E286-K289 PolarHBondContact O-N 3.35Å; E286-K289 WeakPolarHBondContact OE2-CE 3.42Å; E286-K289 IonicContact OE2-NZ 3.95Å; E286-K289 PolarHBondContact OE2-NZ 3.12Å; K289-R291 VanDerWaalsContact C-N 3.34Å; K289-R291 PolarHBondContact O-N 3.42Å; K289-L292 WeakPolarHBondContact O-CB 3.48Å; K289-L292 PolarHBondContact O-N 3.14Å; K289-H293 WeakPolarHBondContact CG-NE2 3.45Å; K289-H293 WeakPolarHBondContact O-CB 3.33Å; K289-H293 PolarHBondContact O-CD2 2.88Å; K289-H293 PolarHBondContact O-N 2.93Å; K289-I311 HydrophobicContact CB-CD1 3.81Å; K289-I311 HydrophobicContact CG-CD1 4.32Å
290E98.4Very high98.1Very high107 Ų10742 Ų4250%0.519%0.191SC..Hα-helixtrans-58-45.6178.2-73.5176.9-176.700111.9E286 H293 K294E286-E290 WeakPolarHBondContact O-CG 3.33Å; E286-E290 PolarHBondContact O-N 2.95Å; E290-H293 PolarHBondContact O-N 3.34Å; E290-K294 WeakPolarHBondContact O-CB 3.41Å; E290-K294 PolarHBondContact O-N 3.09Å
291R98.6Very high97.9Very high75 Ų7544.7 Ų44.728%0.28322%0.218SC..Hα-helixtrans-64.8-43.2178.4-166.269.463.1106.52.5111.6D25 Q29 A32 L287 I288 K289 K294 M295D25-R291 IonicContact OD1-CZ 2.76Å; D25-R291 IonicContact OD1-NH2 2.83Å; D25-R291 PolarHBondContact OD1-NH2 2.95Å; D25-R291 IonicContact OD2-NH1 3.91Å; D25-R291 IonicContact OD2-NH2 3.73Å; Q29-R291 VanDerWaalsContact OE1-CG 3.25Å; A32-R291 HydrophobicContact CB-CB 3.75Å; A32-R291 HydrophobicContact CB-CG 3.74Å; L287-R291 WeakPolarHBondContact O-CB 3.26Å; L287-R291 PolarHBondContact O-N 3.08Å; I288-R291 PolarHBondContact O-N 2.97Å; K289-R291 VanDerWaalsContact C-N 3.34Å; K289-R291 PolarHBondContact O-N 3.42Å; R291-K294 PolarHBondContact O-N 3.01Å; R291-M295 VanDerWaalsContact O-CG 3.28Å; R291-M295 WeakPolarHBondContact O-CG 3.26Å; R291-M295 PolarHBondContact O-N 3.44Å
292L98.4Very high97.6Very high0 Ų050.7 Ų50.70%024%0.244CC..Hα-helixtrans-59.4-48.2175.1173.761.6000111.2L35 F36 I288 K289 K294 M295 V296 I306L35-L292 HydrophobicContact CB-CD1 4.34Å; L35-L292 HydrophobicContact CB-CD2 4.1Å; L35-L292 HydrophobicContact CD1-CD2 4.48Å; F36-L292 HydrophobicContact CB-CD1 3.79Å; F36-L292 HydrophobicContact CD2-CD1 4.28Å; I288-L292 VanDerWaalsContact O-CB 3.31Å; I288-L292 WeakPolarHBondContact O-CB 3.05Å; I288-L292 PolarHBondContact O-N 2.88Å; K289-L292 WeakPolarHBondContact O-CB 3.48Å; K289-L292 PolarHBondContact O-N 3.14Å; L292-K294 VanDerWaalsContact C-N 3.34Å; L292-K294 PolarHBondContact O-N 2.89Å; L292-M295 PolarHBondContact O-N 3.16Å; L292-V296 HydrophobicContact CD1-CG2 4.13Å; L292-V296 WeakPolarHBondContact O-CG2 3.44Å; L292-V296 PolarHBondContact O-N 3.34Å; L292-I306 HydrophobicContact CD2-CB 4.12Å; L292-I306 HydrophobicContact CD2-CD1 4Å; L292-I306 HydrophobicContact CD2-CG2 3.89Å
293H98.1Very high97.3Very high56 Ų5657.1 Ų57.126%0.25928%0.283SS..Hα-helixtrans-58.2-46.8179-78.1-153.8000111.5K289 E290 M295 V296 Q297 C304 I306K289-H293 WeakPolarHBondContact CG-NE2 3.45Å; K289-H293 WeakPolarHBondContact O-CB 3.33Å; K289-H293 PolarHBondContact O-CD2 2.88Å; K289-H293 PolarHBondContact O-N 2.93Å; E290-H293 PolarHBondContact O-N 3.34Å; H293-M295 VanDerWaalsContact C-N 3.34Å; H293-M295 PolarHBondContact O-N 3.02Å; H293-V296 PolarHBondContact O-N 3.02Å; H293-Q297 PolarHBondContact O-N 3.23Å; H293-C304 HydrophobicContact CB-CB 4.25Å; H293-C304 VanDerWaalsContact CD2-CB 3.48Å; H293-C304 WeakPolarHBondContact CD2-CB 3.35Å; H293-C304 VanDerWaalsContact CD2-SG 3.56Å; H293-I306 PolarHBondContact NE2-O 2.72Å
294K98.1Very high97Very high121 Ų12155.9 Ų55.953%0.52628%0.281SS..Hα-helixtrans-57.7-46.6175.6-177.2175.1176.2178.90111.5E290 R291 L292 V296 Q297 E298E290-K294 WeakPolarHBondContact O-CB 3.41Å; E290-K294 PolarHBondContact O-N 3.09Å; R291-K294 PolarHBondContact O-N 3.01Å; L292-K294 VanDerWaalsContact C-N 3.34Å; L292-K294 PolarHBondContact O-N 2.89Å; K294-V296 PolarHBondContact O-N 2.84Å; K294-Q297 PolarHBondContact O-N 3.47Å; K294-E298 WeakPolarHBondContact CE-OE1 3.3Å; K294-E298 HydrophobicContact CG-CG 4.33Å; K294-E298 WeakPolarHBondContact CG-OE1 3.39Å; K294-E298 IonicContact NZ-OE1 3.7Å; K294-E298 WeakPolarHBondContact O-CB 3.46Å; K294-E298 VanDerWaalsContact O-CG 3.3Å; K294-E298 WeakPolarHBondContact O-CG 3.49Å; K294-E298 PolarHBondContact O-N 2.9Å
295M97.8Very high96.7Very high10 Ų1061 Ų615%0.04932%0.316CS..Hα-helixtrans-62.8-40.1178-69.8174.867.400113A32 E33 F36 R291 L292 H293 E298 K299A32-M295 HydrophobicContact CB-SD 4.3Å; E33-M295 HydrophobicContact CB-CE 4.4Å; E33-M295 HydrophobicContact CG-CE 3.71Å; E33-M295 HydrophobicContact CG-SD 4.2Å; F36-M295 HydrophobicContact CB-CE 3.8Å; F36-M295 HydrophobicContact CB-SD 4.47Å; F36-M295 HydrophobicContact CD1-CE 4.12Å; F36-M295 HydrophobicContact CD2-CB 3.7Å; F36-M295 HydrophobicContact CD2-CE 4.17Å; F36-M295 HydrophobicContact CE2-CB 4.04Å; F36-M295 WeakPolarHBondContact CE2-O 3.24Å; F36-M295 HydrophobicContact CG-CB 4.41Å; F36-M295 HydrophobicContact CG-CE 3.76Å; R291-M295 VanDerWaalsContact O-CG 3.28Å; R291-M295 WeakPolarHBondContact O-CG 3.26Å; R291-M295 PolarHBondContact O-N 3.44Å; L292-M295 PolarHBondContact O-N 3.16Å; H293-M295 VanDerWaalsContact C-N 3.34Å; H293-M295 PolarHBondContact O-N 3.02Å; M295-E298 PolarHBondContact O-N 3.16Å; M295-K299 VanDerWaalsContact O-CB 3.26Å; M295-K299 WeakPolarHBondContact O-CB 3.29Å; M295-K299 WeakPolarHBondContact O-CG 3.38Å; M295-K299 PolarHBondContact O-N 3.1Å
296V97.3Very high96.5Very high9 Ų961.3 Ų61.36%0.05532%0.318CS..Hα-helixtrans-65.6-41.9176177.60000111F36 L292 H293 K294 D300 G301 K302 C304F36-V296 HydrophobicContact CD2-CG2 3.8Å; F36-V296 HydrophobicContact CE2-CG2 3.94Å; L292-V296 HydrophobicContact CD1-CG2 4.13Å; L292-V296 WeakPolarHBondContact O-CG2 3.44Å; L292-V296 PolarHBondContact O-N 3.34Å; H293-V296 PolarHBondContact O-N 3.02Å; K294-V296 PolarHBondContact O-N 2.84Å; V296-D300 HydrophobicContact CG1-CB 4.33Å; V296-D300 CarbonylContact O-C 3.56Å; V296-D300 WeakPolarHBondContact O-CA 3.38Å; V296-D300 VanDerWaalsContact O-CB 3.3Å; V296-D300 WeakPolarHBondContact O-CB 3.38Å; V296-D300 PolarHBondContact O-N 2.96Å; V296-G301 PolarHBondContact O-N 3.34Å; V296-K302 HydrophobicContact CG1-CB 4.22Å; V296-K302 WeakPolarHBondContact CG1-O 3.39Å; V296-C304 HydrophobicContact CB-CB 3.97Å; V296-C304 HydrophobicContact CG1-CB 4.05Å; V296-C304 HydrophobicContact CG2-CB 4.23Å
297Q97.2Very high96.4Very high103 Ų10361.5 Ų61.548%0.48132%0.319SS..Hα-helixtrans-64.3-45.3175.8-177.157.741.900111.9H293 K294 G301 K302H293-Q297 PolarHBondContact O-N 3.23Å; K294-Q297 PolarHBondContact O-N 3.47Å; Q297-G301 VanDerWaalsContact O-CA 3.24Å; Q297-G301 WeakPolarHBondContact O-CA 3.48Å; Q297-G301 PolarHBondContact O-N 2.94Å; Q297-G301 VanDerWaalsContact O-N 3.14Å; Q297-K302 PolarHBondContact OE1-O 3.4Å
298E96.9Very high96.3Very high127 Ų12759.2 Ų59.259%0.59331%0.307SS*.Hα-helixtrans-72.3-40-176.7-72.5173.716900113.3K294 M295K294-E298 WeakPolarHBondContact CE-OE1 3.3Å; K294-E298 HydrophobicContact CG-CG 4.33Å; K294-E298 WeakPolarHBondContact CG-OE1 3.39Å; K294-E298 IonicContact NZ-OE1 3.7Å; K294-E298 WeakPolarHBondContact O-CB 3.46Å; K294-E298 VanDerWaalsContact O-CG 3.3Å; K294-E298 WeakPolarHBondContact O-CG 3.49Å; K294-E298 PolarHBondContact O-N 2.9Å; M295-E298 PolarHBondContact O-N 3.16Å
299K96.4Very high96.2Very high132 Ų13259.2 Ų59.257%0.57431%0.307SS*.Hα-helixtrans-97.1-33.9-172.8-62.2-177.4178.6-176.80113.8F36 M295F36-K299 HydrophobicContact CE1-CD 3.91Å; F36-K299 HydrophobicContact CE2-CB 4.18Å; F36-K299 HydrophobicContact CE2-CD 4.21Å; F36-K299 HydrophobicContact CZ-CB 3.7Å; F36-K299 HydrophobicContact CZ-CD 3.62Å; F36-K299 HydrophobicContact CZ-CG 4.24Å; M295-K299 VanDerWaalsContact O-CB 3.26Å; M295-K299 WeakPolarHBondContact O-CB 3.29Å; M295-K299 WeakPolarHBondContact O-CG 3.38Å; M295-K299 PolarHBondContact O-N 3.1Å
300D95.5Very high96Very high42 Ų4259.1 Ų59.123%0.22531%0.307CS..Hα-helixtrans-106.4-13.5-178.3-73.119.3000112.6R39 R40 V296 K302R39-D300 IonicContact CZ-OD1 2.68Å; R39-D300 IonicContact CZ-OD2 3.2Å; R39-D300 VanDerWaalsContact CZ-OD2 3.28Å; R39-D300 IonicContact NE-OD1 3.74Å; R39-D300 IonicContact NE-OD2 3.61Å; R39-D300 PolarHBondContact NE-OD2 3.23Å; R39-D300 IonicContact NH2-OD1 2.7Å; R39-D300 PolarHBondContact NH2-OD1 3.39Å; R39-D300 IonicContact NH2-OD2 3.38Å; R39-D300 PolarHBondContact NH2-OD2 3.15Å; R40-D300 IonicContact NH2-OD2 3.16Å; R40-D300 PolarHBondContact NH2-OD2 3.26Å; R40-D300 VanDerWaalsContact NH2-OD2 3.13Å; V296-D300 HydrophobicContact CG1-CB 4.33Å; V296-D300 CarbonylContact O-C 3.56Å; V296-D300 WeakPolarHBondContact O-CA 3.38Å; V296-D300 VanDerWaalsContact O-CB 3.3Å; V296-D300 WeakPolarHBondContact O-CB 3.38Å; V296-D300 PolarHBondContact O-N 2.96Å; D300-K302 HydrophobicContact CB-CB 4.49Å; D300-K302 HydrophobicContact CB-CG 4.47Å; D300-K302 PolarHBondContact O-N 2.69Å
301G94.6Very high95.9Very high55 Ų5554 Ų5457%0.56728%0.283SS*.  trans6722.9-177.100000113.7V296 Q297V296-G301 PolarHBondContact O-N 3.34Å; Q297-G301 VanDerWaalsContact O-CA 3.24Å; Q297-G301 WeakPolarHBondContact O-CA 3.48Å; Q297-G301 PolarHBondContact O-N 2.94Å; Q297-G301 VanDerWaalsContact O-N 3.14Å
302K93Very high95.8Very high126 Ų12650.8 Ų50.855%0.54827%0.271SS..SBendtrans-120.6151.8-173.6-67.9-178.4-177.4-173.60111.7V296 Q297 D300V296-K302 HydrophobicContact CG1-CB 4.22Å; V296-K302 WeakPolarHBondContact CG1-O 3.39Å; Q297-K302 PolarHBondContact OE1-O 3.4Å; D300-K302 HydrophobicContact CB-CB 4.49Å; D300-K302 HydrophobicContact CB-CG 4.47Å; D300-K302 PolarHBondContact O-N 2.69Å
303V91.8Very high95.5Very high135 Ų13551.5 Ų51.582%0.81827%0.274SS*.  trans-70.3131.1164.9-177.80000108.8
304C93Very high95.2Very high16 Ų1650.6 Ų50.611%0.10827%0.269CS..  trans-86.9127.3176.8-167.70000110.3H293 V296H293-C304 HydrophobicContact CB-CB 4.25Å; H293-C304 VanDerWaalsContact CD2-CB 3.48Å; H293-C304 WeakPolarHBondContact CD2-CB 3.35Å; H293-C304 VanDerWaalsContact CD2-SG 3.56Å; V296-C304 HydrophobicContact CB-CB 3.97Å; V296-C304 HydrophobicContact CG1-CB 4.05Å; V296-C304 HydrophobicContact CG2-CB 4.23Å
305S91.3Very high95.1Very high107 Ų10744.9 Ų44.975%0.74824%0.244SC*.  trans-96.53.7177.2600000113.6N307S305-N307 PolarHBondContact O-N 3.26Å
306I95.4Very high94.8Very high7 Ų746.6 Ų46.64%0.03625%0.25CS..  trans-78.1109.6-178.5-62.5168.8000108.2R39 L44 L292 H293 I310 I311R39-I306 HydrophobicContact CB-CD1 3.95Å; L44-I306 HydrophobicContact CB-CD1 4.1Å; L44-I306 HydrophobicContact CB-CG1 4.49Å; L44-I306 HydrophobicContact CD1-CD1 4.17Å; L292-I306 HydrophobicContact CD2-CB 4.12Å; L292-I306 HydrophobicContact CD2-CD1 4Å; L292-I306 HydrophobicContact CD2-CG2 3.89Å; H293-I306 PolarHBondContact NE2-O 2.72Å; I306-I310 HydrophobicContact CG2-CB 4.25Å; I306-I310 HydrophobicContact CG2-CG2 3.94Å; I306-I311 HydrophobicContact CG2-CD1 4.35Å; I306-I311 HydrophobicContact CG2-CG1 3.77Å
307N96.3Very high94.5Very high5 Ų547.2 Ų47.23%0.02725%0.254CS..  trans-94.2175.7175.865.935000111.5D231 S305 A309 I310 I311D231-N307 HydrophobicContact CB-CB 4.37Å; D231-N307 VanDerWaalsContact OD1-CB 3.31Å; D231-N307 WeakPolarHBondContact OD1-CB 3.33Å; S305-N307 PolarHBondContact O-N 3.26Å; N307-A309 VanDerWaalsContact C-N 3.32Å; N307-A309 PolarHBondContact O-N 3.03Å; N307-A309 WeakPolarHBondContact OD1-CB 2.99Å; N307-A309 PolarHBondContact OD1-N 3.21Å; N307-A309 VanDerWaalsContact OD1-N 3.12Å; N307-I310 PolarHBondContact O-N 3.32Å; N307-I310 WeakPolarHBondContact OD1-CG1 3.45Å; N307-I310 PolarHBondContact OD1-N 3.44Å; N307-I311 WeakPolarHBondContact O-CG1 3.27Å; N307-I311 PolarHBondContact O-N 3.08Å; N307-I311 VanDerWaalsContact O-N 3.12Å
308S97.6Very high94.3Very high0 Ų043.2 Ų43.20%024%0.235CC..Hα-helixtrans-66.1-30.8-177.1-53.20000113.5E286 I311 D312E286-S308 VanDerWaalsContact CD-OG 3.22Å; E286-S308 VanDerWaalsContact OE1-CB 3.25Å; E286-S308 WeakPolarHBondContact OE1-CB 3.4Å; E286-S308 PolarHBondContact OE1-OG 3.44Å; E286-S308 PolarHBondContact OE2-OG 3.28Å; S308-I311 PolarHBondContact O-N 3.5Å; S308-D312 PolarHBondContact O-N 3.15Å
309A95.8Very high94.1Very high0 Ų037.1 Ų37.10%021%0.207CC..Hα-helixtrans-66.4-39.9174.400000111.9A213 L233 F236 N307 I311 D312 F313A213-A309 HydrophobicContact CB-CB 4.42Å; L233-A309 HydrophobicContact CB-CB 4.28Å; L233-A309 HydrophobicContact CD1-CB 4.47Å; F236-A309 HydrophobicContact CE1-CB 4.5Å; F236-A309 HydrophobicContact CZ-CB 3.84Å; N307-A309 VanDerWaalsContact C-N 3.32Å; N307-A309 PolarHBondContact O-N 3.03Å; N307-A309 WeakPolarHBondContact OD1-CB 2.99Å; N307-A309 PolarHBondContact OD1-N 3.21Å; N307-A309 VanDerWaalsContact OD1-N 3.12Å; A309-I311 VanDerWaalsContact C-N 3.33Å; A309-D312 WeakPolarHBondContact O-CB 3.47Å; A309-D312 PolarHBondContact O-N 2.97Å; A309-F313 WeakPolarHBondContact O-CG 3.49Å; A309-F313 PolarHBondContact O-N 3.22Å
310I95.4Very high93.7Very high8 Ų835.9 Ų35.94%0.04120%0.201CC..Hα-helixtrans-63.8-40.5172.8-68.5168.3000110.8L44 W216 I306 N307 D312 F313 Y314L44-I310 HydrophobicContact CB-CG2 4.12Å; L44-I310 HydrophobicContact CD2-CG2 4.17Å; L44-I310 WeakPolarHBondContact O-CG2 3.41Å; W216-I310 HydrophobicContact CH2-CD1 4.01Å; W216-I310 HydrophobicContact CH2-CG1 4.06Å; W216-I310 HydrophobicContact CZ3-CG1 4.22Å; I306-I310 HydrophobicContact CG2-CB 4.25Å; I306-I310 HydrophobicContact CG2-CG2 3.94Å; N307-I310 PolarHBondContact O-N 3.32Å; N307-I310 WeakPolarHBondContact OD1-CG1 3.45Å; N307-I310 PolarHBondContact OD1-N 3.44Å; I310-D312 VanDerWaalsContact C-N 3.28Å; I310-D312 PolarHBondContact O-N 2.86Å; I310-F313 PolarHBondContact O-N 3.11Å; I310-Y314 PolarHBondContact O-N 3.16Å
311I96.6Very high93.5Very high0 Ų040.5 Ų40.50%022%0.222CC..Hα-helixtrans-62.6-39.8176.3-62.6171.6000110.1L35 V285 I288 K289 I306 N307 S308 A309 Y314 L315L35-I311 HydrophobicContact CD1-CD1 4.24Å; L35-I311 HydrophobicContact CD1-CG1 4.06Å; L35-I311 HydrophobicContact CD1-CG2 3.84Å; V285-I311 HydrophobicContact CG1-CB 4Å; V285-I311 HydrophobicContact CG1-CD1 4.18Å; V285-I311 HydrophobicContact CG1-CG2 3.73Å; I288-I311 HydrophobicContact CG2-CD1 4.41Å; K289-I311 HydrophobicContact CB-CD1 3.81Å; K289-I311 HydrophobicContact CG-CD1 4.32Å; I306-I311 HydrophobicContact CG2-CD1 4.35Å; I306-I311 HydrophobicContact CG2-CG1 3.77Å; N307-I311 WeakPolarHBondContact O-CG1 3.27Å; N307-I311 PolarHBondContact O-N 3.08Å; N307-I311 VanDerWaalsContact O-N 3.12Å; S308-I311 PolarHBondContact O-N 3.5Å; A309-I311 VanDerWaalsContact C-N 3.33Å; I311-Y314 WeakPolarHBondContact O-CB 3.41Å; I311-Y314 PolarHBondContact O-N 3.2Å; I311-Y314 VanDerWaalsContact O-N 3.15Å; I311-L315 HydrophobicContact CG2-CD1 3.75Å; I311-L315 HydrophobicContact CG2-CG 4.05Å; I311-L315 WeakPolarHBondContact O-CG 3.44Å; I311-L315 PolarHBondContact O-N 2.93Å
312D95Very high93.5Very high7 Ų740.2 Ų40.24%0.03721%0.205CC..Hα-helixtrans-63.2-45175.2-165.197.1000112.6M235 F236 S308 A309 I310 Y314 L315 W316M235-D312 HydrophobicContact CB-CB 4.18Å; F236-D312 HydrophobicContact CD2-CB 4.07Å; F236-D312 VanDerWaalsContact CD2-CG 3.47Å; F236-D312 WeakPolarHBondContact CD2-OD2 3.37Å; F236-D312 HydrophobicContact CE2-CB 4.22Å; F236-D312 PolarHBondContact N-OD1 3.27Å; S308-D312 PolarHBondContact O-N 3.15Å; A309-D312 WeakPolarHBondContact O-CB 3.47Å; A309-D312 PolarHBondContact O-N 2.97Å; I310-D312 VanDerWaalsContact C-N 3.28Å; I310-D312 PolarHBondContact O-N 2.86Å; D312-Y314 CarbonylContact O-C 3.42Å; D312-Y314 PolarHBondContact O-N 3.49Å; D312-L315 PolarHBondContact O-N 3.11Å; D312-W316 PolarHBondContact O-N 2.86Å
313F91.8Very high93.3Very high15 Ų1538.2 Ų38.27%0.06620%0.198CC..Hα-helixtrans-56-21.1173.2-68.4-15.8000113.4W49 A213 W216 F236 A309 I310 P317W49-F313 HydrophobicContact CB-CD2 4.46Å; W49-F313 HydrophobicContact CB-CE2 4.07Å; W49-F313 HydrophobicContact CB-CZ 4.25Å; A213-F313 HydrophobicContact CB-CE1 4.37Å; A213-F313 HydrophobicContact CB-CZ 3.92Å; W216-F313 HydrophobicContact CZ3-CE2 4.48Å; F236-F313 HydrophobicContact CE2-CD1 4.36Å; F236-F313 AromaticContact CE2-CE1 3.94Å; F236-F313 HydrophobicContact CE2-CE1 3.94Å; A309-F313 WeakPolarHBondContact O-CG 3.49Å; A309-F313 PolarHBondContact O-N 3.22Å; I310-F313 PolarHBondContact O-N 3.11Å; F313-P317 WeakPolarHBondContact O-CD 3.46Å; F313-P317 WeakPolarHBondContact O-CG 3.47Å
314Y92.9Very high93.3Very high38 Ų3841.5 Ų41.515%0.14920%0.195CC..Hα-helixtrans-90.3-48.6170.3175.8-92.4000113M34 L35 L38 F43 L44 I310 I311 D312 W316 P317 F318M34-Y314 HydrophobicContact CE-CE1 3.66Å; L35-Y314 HydrophobicContact CD2-CD1 3.65Å; L35-Y314 HydrophobicContact CD2-CE1 3.9Å; L35-Y314 HydrophobicContact CD2-CG 4.2Å; L38-Y314 HydrophobicContact CD1-CE2 3.62Å; L38-Y314 WeakPolarHBondContact CD1-OH 3.34Å; F43-Y314 HydrophobicContact CB-CD2 4.1Å; L44-Y314 HydrophobicContact CD2-CD2 4.42Å; L44-Y314 HydrophobicContact CD2-CG 4.11Å; I310-Y314 PolarHBondContact O-N 3.16Å; I311-Y314 WeakPolarHBondContact O-CB 3.41Å; I311-Y314 PolarHBondContact O-N 3.2Å; I311-Y314 VanDerWaalsContact O-N 3.15Å; D312-Y314 CarbonylContact O-C 3.42Å; D312-Y314 PolarHBondContact O-N 3.49Å; Y314-W316 VanDerWaalsContact C-N 3.35Å; Y314-W316 PolarHBondContact O-N 3.36Å; Y314-P317 WeakPolarHBondContact O-CD 3.49Å; Y314-F318 HydrophobicContact CE1-CB 4.43Å; Y314-F318 HydrophobicContact CE1-CD2 4.42Å; Y314-F318 WeakPolarHBondContact O-CB 3.24Å; Y314-F318 PolarHBondContact O-N 3.32Å; Y314-F318 VanDerWaalsContact O-N 3.07Å
315L94.6Very high93.4Very high0 Ų045.4 Ų45.40%021%0.212CC..Hα-helixtrans-65.4-35.3-174.7-71.4177.1000112.9V241 L245 L248 V285 I311 D312 F318 A319V241-L315 HydrophobicContact CG1-CB 4Å; V241-L315 HydrophobicContact CG1-CD1 4.01Å; L245-L315 HydrophobicContact CD2-CD1 4.05Å; L248-L315 HydrophobicContact CD1-CD2 3.95Å; V285-L315 HydrophobicContact CG2-CD1 3.95Å; I311-L315 HydrophobicContact CG2-CD1 3.75Å; I311-L315 HydrophobicContact CG2-CG 4.05Å; I311-L315 WeakPolarHBondContact O-CG 3.44Å; I311-L315 PolarHBondContact O-N 2.93Å; D312-L315 PolarHBondContact O-N 3.11Å; L315-F318 WeakPolarHBondContact O-CB 3.3Å; L315-F318 PolarHBondContact O-N 2.85Å; L315-A319 PolarHBondContact O-N 3.24Å
316W93.1Very high93.6Very high47 Ų4740.3 Ų40.318%0.17818%0.177CC..Hα-helixtrans-68.6-49.7-179.3-173.899.3000112.5F99 D238 V241 D312 Y314 F318 A319 K320F99-W316 HydrophobicContact CB-CH2 4.46Å; F99-W316 HydrophobicContact CB-CZ2 4.12Å; F99-W316 AromaticContact CD1-CH2 3.78Å; F99-W316 HydrophobicContact CD1-CH2 3.78Å; F99-W316 AromaticContact CD1-CZ2 3.98Å; F99-W316 HydrophobicContact CD1-CZ2 3.98Å; F99-W316 HydrophobicContact CG-CZ2 4.34Å; D238-W316 PolarHBondContact OD2-NE1 2.69Å; V241-W316 HydrophobicContact CG2-CB 4.07Å; D312-W316 PolarHBondContact O-N 2.86Å; Y314-W316 VanDerWaalsContact C-N 3.35Å; Y314-W316 PolarHBondContact O-N 3.36Å; W316-F318 VanDerWaalsContact C-N 3.3Å; W316-F318 PolarHBondContact O-N 2.86Å; W316-A319 WeakPolarHBondContact O-CB 3.34Å; W316-A319 PolarHBondContact O-N 2.68Å; W316-K320 HydrophobicContact CH2-CD 4.33Å; W316-K320 HydrophobicContact CZ3-CD 4.3Å; W316-K320 PolarHBondContact O-N 3.07Å
317P90.6Very high93.4Very high21 Ų2143.6 Ų43.614%0.13621%0.205CC..Hα-helixtrans-60.4-37.5170.3-26.536.3000113.3A52 F313 Y314 A319 K320 Q321A52-P317 HydrophobicContact CB-CG 4.26Å; F313-P317 WeakPolarHBondContact O-CD 3.46Å; F313-P317 WeakPolarHBondContact O-CG 3.47Å; Y314-P317 WeakPolarHBondContact O-CD 3.49Å; P317-A319 VanDerWaalsContact C-N 3.33Å; P317-A319 PolarHBondContact O-N 3.02Å; P317-K320 WeakPolarHBondContact O-CB 3.49Å; P317-K320 PolarHBondContact O-N 2.87Å; P317-Q321 WeakPolarHBondContact O-CG 3.32Å; P317-Q321 PolarHBondContact O-N 3.31Å
318F92.7Very high93.2Very high19 Ų1949.1 Ų49.18%0.08323%0.23CC..Hα-helixtrans-56.3-48.3173.7175.5-84.5000110.6A244 Y247 L248 Y314 L315 W316 K320 Q321 H322A244-F318 HydrophobicContact CB-CD1 4.1Å; A244-F318 HydrophobicContact CB-CE1 4.41Å; Y247-F318 HydrophobicContact CD1-CE1 4.06Å; Y247-F318 HydrophobicContact CD1-CZ 4.22Å; Y247-F318 HydrophobicContact CE1-CE1 4.42Å; Y247-F318 HydrophobicContact CE1-CZ 4.18Å; L248-F318 HydrophobicContact CD1-CD1 4.47Å; L248-F318 HydrophobicContact CD1-CE1 4.05Å; L248-F318 HydrophobicContact CD1-CZ 4.48Å; L248-F318 HydrophobicContact CD2-CE1 4.01Å; L248-F318 HydrophobicContact CD2-CZ 3.71Å; L248-F318 HydrophobicContact CG-CE1 4.04Å; L248-F318 HydrophobicContact CG-CZ 4.27Å; Y314-F318 HydrophobicContact CE1-CB 4.43Å; Y314-F318 HydrophobicContact CE1-CD2 4.42Å; Y314-F318 WeakPolarHBondContact O-CB 3.24Å; Y314-F318 PolarHBondContact O-N 3.32Å; Y314-F318 VanDerWaalsContact O-N 3.07Å; L315-F318 WeakPolarHBondContact O-CB 3.3Å; L315-F318 PolarHBondContact O-N 2.85Å; W316-F318 VanDerWaalsContact C-N 3.3Å; W316-F318 PolarHBondContact O-N 2.86Å; F318-K320 PolarHBondContact O-N 2.91Å; F318-Q321 PolarHBondContact O-N 3.32Å; F318-Q321 VanDerWaalsContact O-N 3.15Å; F318-H322 AromaticContact CD2-CD2 3.47Å; F318-H322 VanDerWaalsContact CD2-CD2 3.47Å; F318-H322 WeakPolarHBondContact CD2-CD2 3.25Å; F318-H322 AromaticContact CD2-NE2 3.66Å; F318-H322 HydrophobicContact CE1-CB 4.46Å; F318-H322 AromaticContact CE1-CD2 3.99Å; F318-H322 AromaticContact CE2-CD2 3.34Å; F318-H322 WeakPolarHBondContact CE2-CD2 3.5Å; F318-H322 AromaticContact CE2-NE2 3.35Å; F318-H322 VanDerWaalsContact CE2-NE2 3.35Å; F318-H322 WeakPolarHBondContact CE2-NE2 3.46Å; F318-H322 AromaticContact CG-CD2 3.85Å; F318-H322 AromaticContact CZ-CD2 3.6Å; F318-H322 AromaticContact CZ-NE2 3.94Å; F318-H322 PolarHBondContact O-CD2 2.84Å; F318-H322 VanDerWaalsContact O-CD2 3.25Å; F318-H322 PolarHBondContact O-N 3.33Å
319A92.4Very high93Very high0 Ų049.5 Ų49.50%023%0.232CC..Hα-helixtrans-57.6-39.9177.900000112.2R240 A244 L315 W316 P317 H323 M326R240-A319 HydrophobicContact CB-CB 4.19Å; A244-A319 HydrophobicContact CB-CB 3.85Å; L315-A319 PolarHBondContact O-N 3.24Å; W316-A319 WeakPolarHBondContact O-CB 3.34Å; W316-A319 PolarHBondContact O-N 2.68Å; P317-A319 VanDerWaalsContact C-N 3.33Å; P317-A319 PolarHBondContact O-N 3.02Å; A319-H323 PolarHBondContact O-N 3.05Å; A319-H323 VanDerWaalsContact O-N 3.11Å; A319-M326 HydrophobicContact CB-CE 3.94Å; A319-M326 WeakPolarHBondContact O-CE 3.38Å
320K89Confident92.9Very high105 Ų10551 Ų5146%0.45724%0.242SC..Hα-helixtrans-69-41.5177.5-169.9177.5-178.8-178.20112.6W316 P317 F318 H323W316-K320 HydrophobicContact CH2-CD 4.33Å; W316-K320 HydrophobicContact CZ3-CD 4.3Å; W316-K320 PolarHBondContact O-N 3.07Å; P317-K320 WeakPolarHBondContact O-CB 3.49Å; P317-K320 PolarHBondContact O-N 2.87Å; F318-K320 PolarHBondContact O-N 2.91Å; K320-H323 PolarHBondContact O-ND1 3.36Å
321Q91.3Very high92.8Very high140 Ų14051.3 Ų51.365%0.65424%0.243SC*.Hα-helixtrans-67.2-37.6179.2-71.5174.16.100111.7P317 F318P317-Q321 WeakPolarHBondContact O-CG 3.32Å; P317-Q321 PolarHBondContact O-N 3.31Å; F318-Q321 PolarHBondContact O-N 3.32Å; F318-Q321 VanDerWaalsContact O-N 3.15Å
322H93.6Very high92.6Very high48 Ų4851.4 Ų51.422%0.22224%0.244CC..THydrogen-bonded Turntrans-95.811.5-177.9-66.5-85.2000114.2F318 R324 E325 M326F318-H322 AromaticContact CD2-CD2 3.47Å; F318-H322 VanDerWaalsContact CD2-CD2 3.47Å; F318-H322 WeakPolarHBondContact CD2-CD2 3.25Å; F318-H322 AromaticContact CD2-NE2 3.66Å; F318-H322 HydrophobicContact CE1-CB 4.46Å; F318-H322 AromaticContact CE1-CD2 3.99Å; F318-H322 AromaticContact CE2-CD2 3.34Å; F318-H322 WeakPolarHBondContact CE2-CD2 3.5Å; F318-H322 AromaticContact CE2-NE2 3.35Å; F318-H322 VanDerWaalsContact CE2-NE2 3.35Å; F318-H322 WeakPolarHBondContact CE2-NE2 3.46Å; F318-H322 AromaticContact CG-CD2 3.85Å; F318-H322 AromaticContact CZ-CD2 3.6Å; F318-H322 AromaticContact CZ-NE2 3.94Å; F318-H322 PolarHBondContact O-CD2 2.84Å; F318-H322 VanDerWaalsContact O-CD2 3.25Å; F318-H322 PolarHBondContact O-N 3.33Å; H322-R324 PolarHBondContact O-N 3.28Å; H322-E325 IonicContact CE1-OE1 3.24Å; H322-E325 IonicContact CE1-OE2 3.07Å; H322-E325 IonicContact CG-OE2 3.51Å; H322-E325 VanDerWaalsContact ND1-CD 3.33Å; H322-E325 IonicContact ND1-OE1 2.68Å; H322-E325 PolarHBondContact ND1-OE1 3.49Å; H322-E325 IonicContact ND1-OE2 3.88Å; H322-E325 PolarHBondContact ND1-OE2 3.09Å; H322-E325 WeakPolarHBondContact O-CB 3.24Å; H322-E325 PolarHBondContact O-N 3.49Å; H322-M326 HydrophobicContact CB-CG 4.43Å; H322-M326 WeakPolarHBondContact O-CG 3.24Å; H322-M326 PolarHBondContact O-N 3.06Å
323H89.8Confident92.5Very high84 Ų8452.6 Ų52.639%0.38925%0.249SC..THydrogen-bonded Turntrans-53.1-34.8-173.771-80.4000114.3A319 K320 A327A319-H323 PolarHBondContact O-N 3.05Å; A319-H323 VanDerWaalsContact O-N 3.11Å; K320-H323 PolarHBondContact O-ND1 3.36Å; H323-A327 PolarHBondContact O-N 2.73Å
324R91.4Very high92.6Very high205 Ų20552 Ų5277%0.77425%0.246SC*.THydrogen-bonded Turntrans-70.9-40.3178.1-61.7-172.9178.7174.7-3.4112.4H322 M326 A327H322-R324 PolarHBondContact O-N 3.28Å; R324-M326 VanDerWaalsContact C-N 3.26Å; R324-M326 PolarHBondContact O-N 2.94Å; R324-A327 WeakPolarHBondContact O-CB 3.3Å; R324-A327 PolarHBondContact O-N 2.97Å
325E94.8Very high92.7Very high98 Ų9853.9 Ų53.946%0.45825%0.253SS..G310 helixtrans-66-35.6177.3-66.3165.6-143.800110.4Y247 H322 A327 H328Y247-E325 HydrophobicContact CE2-CB 4.36Å; Y247-E325 PolarHBondContact OH-OE2 3.15Å; H322-E325 IonicContact CE1-OE1 3.24Å; H322-E325 IonicContact CE1-OE2 3.07Å; H322-E325 IonicContact CG-OE2 3.51Å; H322-E325 VanDerWaalsContact ND1-CD 3.33Å; H322-E325 IonicContact ND1-OE1 2.68Å; H322-E325 PolarHBondContact ND1-OE1 3.49Å; H322-E325 IonicContact ND1-OE2 3.88Å; H322-E325 PolarHBondContact ND1-OE2 3.09Å; H322-E325 WeakPolarHBondContact O-CB 3.24Å; H322-E325 PolarHBondContact O-N 3.49Å; E325-A327 VanDerWaalsContact C-N 3.34Å; E325-A327 PolarHBondContact O-N 3.11Å; E325-H328 PolarHBondContact O-CE1 3.22Å; E325-H328 PolarHBondContact O-ND1 3.22Å
326M95.1Very high92.7Very high0 Ų054.4 Ų54.40%026%0.257CS..G310 helixtrans-863.6-179.6-58.2-169.4-56.100114.5Q243 A244 Y247 A319 H322 R324 H328 I329Q243-M326 HydrophobicContact CG-CB 4.25Å; Q243-M326 HydrophobicContact CG-CE 4.31Å; Q243-M326 HydrophobicContact CG-SD 4.37Å; Q243-M326 PolarHBondContact NE2-O 3.02Å; A244-M326 VanDerWaalsContact CA-SD 3.59Å; A244-M326 HydrophobicContact CB-SD 4.1Å; Y247-M326 HydrophobicContact CD1-CG 3.78Å; Y247-M326 HydrophobicContact CD1-SD 3.89Å; Y247-M326 HydrophobicContact CD2-CG 3.89Å; Y247-M326 HydrophobicContact CE1-CG 4.33Å; Y247-M326 HydrophobicContact CE2-CG 4.45Å; Y247-M326 HydrophobicContact CG-CG 3.52Å; Y247-M326 HydrophobicContact CG-SD 3.87Å; A319-M326 HydrophobicContact CB-CE 3.94Å; A319-M326 WeakPolarHBondContact O-CE 3.38Å; H322-M326 HydrophobicContact CB-CG 4.43Å; H322-M326 WeakPolarHBondContact O-CG 3.24Å; H322-M326 PolarHBondContact O-N 3.06Å; R324-M326 VanDerWaalsContact C-N 3.26Å; R324-M326 PolarHBondContact O-N 2.94Å; M326-H328 PolarHBondContact O-N 2.81Å; M326-I329 PolarHBondContact O-N 3.4Å
327A91.6Very high92.9Very high76 Ų7654.1 Ų54.163%0.62826%0.258SS*.G310 helixtrans-59.1-21.9-175.400000114H323 R324 E325 I329H323-A327 PolarHBondContact O-N 2.73Å; R324-A327 WeakPolarHBondContact O-CB 3.3Å; R324-A327 PolarHBondContact O-N 2.97Å; E325-A327 VanDerWaalsContact C-N 3.34Å; E325-A327 PolarHBondContact O-N 3.11Å; A327-I329 VanDerWaalsContact C-N 3.28Å; A327-I329 PolarHBondContact O-N 2.77Å
328H91.8Very high93.1Very high120 Ų12055.8 Ų55.856%0.55626%0.262SS*.G310 helixtrans-78.3-8.3176.166.2-78.2000114.1E325 M326E325-H328 PolarHBondContact O-CE1 3.22Å; E325-H328 PolarHBondContact O-ND1 3.22Å; M326-H328 PolarHBondContact O-N 2.81Å
329I94.6Very high92.8Very high8 Ų855.1 Ų55.14%0.04126%0.259CS..SBendtrans-111100.2176.1-59.3158.2000106.7Q243 V246 Y247 M326 A327Q243-I329 HydrophobicContact CG-CB 4.25Å; Q243-I329 HydrophobicContact CG-CG2 4.01Å; Q243-I329 PolarHBondContact NE2-O 3.28Å; V246-I329 HydrophobicContact CB-CD1 4.39Å; V246-I329 HydrophobicContact CB-CG2 4.01Å; V246-I329 HydrophobicContact CG1-CD1 3.94Å; V246-I329 HydrophobicContact CG1-CG1 4.16Å; V246-I329 HydrophobicContact CG1-CG2 3.83Å; Y247-I329 HydrophobicContact CD2-CD1 4.24Å; Y247-I329 HydrophobicContact CG-CD1 4.5Å; M326-I329 PolarHBondContact O-N 3.4Å; A327-I329 VanDerWaalsContact C-N 3.28Å; A327-I329 PolarHBondContact O-N 2.77Å
330P92.6Very high92.8Very high32 Ų3257.9 Ų57.921%0.20827%0.272CS..PPolyproline II helixtrans-66.1147.4-179.5-14.827.8000111.1L261 K262L261-P330 HydrophobicContact CB-CB 4.11Å; L261-P330 HydrophobicContact CB-CG 4.32Å; K262-P330 HydrophobicContact CB-CG 4.38Å; K262-P330 HydrophobicContact CG-CG 3.71Å
331I92.8Very high93Very high14 Ų1455.4 Ų55.47%0.07226%0.263CS..PPolyproline II helixtrans-74.9153.8168.760.2173.4000109.9W79 Y239 Q243 H333W79-I331 HydrophobicContact CB-CD1 4.48Å; Y239-I331 HydrophobicContact CD2-CB 4.05Å; Y239-I331 HydrophobicContact CD2-CD1 3.35Å; Y239-I331 HydrophobicContact CD2-CG1 4.26Å; Y239-I331 HydrophobicContact CD2-CG2 4.08Å; Y239-I331 HydrophobicContact CE2-CD1 3.64Å; Y239-I331 HydrophobicContact CG-CD1 4.33Å; Y239-I331 WeakPolarHBondContact O-CG2 3.47Å; Q243-I331 HydrophobicContact CB-CG2 4.1Å; Q243-I331 VanDerWaalsContact CD-CG2 3.48Å; Q243-I331 HydrophobicContact CG-CG2 4.2Å; I331-H333 WeakPolarHBondContact CD1-NE2 3.43Å; I331-H333 WeakPolarHBondContact CG1-NE2 3.33Å
332H93.2Very high93.1Very high3 Ų350.7 Ų50.71%0.01424%0.241CC..PPolyproline II helixtrans-79.2133.3169.569.4-80.9000110.4D238 L261 L267 I277 Y339D238-H332 PolarHBondContact O-CE1 3.1Å; L261-H332 HydrophobicContact CD2-CB 3.8Å; L267-H332 HydrophobicContact CD1-CB 4.07Å; I277-H332 HydrophobicContact CD1-CB 3.75Å; H332-Y339 AromaticContact NE2-CE2 3.31Å; H332-Y339 VanDerWaalsContact NE2-CE2 3.31Å; H332-Y339 WeakPolarHBondContact NE2-CE2 3.3Å; H332-Y339 AromaticContact NE2-CZ 3.8Å
333H93.1Very high93.1Very high32 Ų3250.8 Ų50.815%0.14824%0.242CC..BIsolated β-bridgetrans-103.7115.1-178.9-68.6129.1000110.4W79 L266 L267 I331W79-H333 AromaticContact CD2-CD2 3.42Å; W79-H333 VanDerWaalsContact CD2-CD2 3.42Å; W79-H333 AromaticContact CE2-CD2 3.87Å; W79-H333 HydrophobicContact CE3-CB 4.38Å; W79-H333 AromaticContact CE3-CD2 3.39Å; W79-H333 AromaticContact CE3-CG 3.98Å; W79-H333 AromaticContact CE3-NE2 3.96Å; W79-H333 AromaticContact CG-CD2 3.85Å; W79-H333 HydrophobicContact CH2-CB 3.72Å; W79-H333 HydrophobicContact CZ2-CB 3.84Å; W79-H333 HydrophobicContact CZ3-CB 4Å; W79-H333 AromaticContact CZ3-CD2 3.86Å; W79-H333 AromaticContact CZ3-CG 3.96Å; L266-H333 WeakPolarHBondContact CA-O 3.2Å; L266-H333 HydrophobicContact CD2-CB 3.54Å; L267-H333 PolarHBondContact N-O 3.05Å; I331-H333 WeakPolarHBondContact CD1-NE2 3.43Å; I331-H333 WeakPolarHBondContact CG1-NE2 3.33Å
334T94.2Very high93.3Very high1 Ų148.8 Ų48.81%0.00623%0.233CC..  trans-132.6122.8176-57.50000108.6C77 L267 E274 C336 Y339C77-T334 PolarHBondContact SG-O 3.38Å; L267-T334 WeakPolarHBondContact O-CA 3.33Å; L267-T334 VanDerWaalsContact O-CB 3.24Å; L267-T334 WeakPolarHBondContact O-CB 3.37Å; L267-T334 VanDerWaalsContact O-CG2 3.25Å; L267-T334 WeakPolarHBondContact O-CG2 3.33Å; L267-T334 PolarHBondContact O-OG1 3.23Å; E274-T334 HydrophobicContact CG-CG2 4.45Å; T334-C336 HydrophobicContact CG2-CB 4.26Å; T334-C336 PolarHBondContact O-N 3.22Å; T334-Y339 WeakPolarHBondContact CB-OH 3.15Å; T334-Y339 HydrophobicContact CG2-CE1 4.4Å; T334-Y339 VanDerWaalsContact CG2-OH 3.23Å; T334-Y339 WeakPolarHBondContact CG2-OH 3.3Å; T334-Y339 PolarHBondContact OG1-OH 2.86Å
335R93.9Very high93.4Very high78 Ų7838.3 Ų38.329%0.29420%0.197SC..  trans-88.6100.9175.3-71.3-67.2-174.7-149.9-2.3108.8W79 D81W79-R335 VanDerWaalsContact CE2-NH1 3.35Å; W79-R335 VanDerWaalsContact CE3-NH2 3.31Å; W79-R335 HydrophobicContact CH2-CG 3.65Å; W79-R335 VanDerWaalsContact CZ2-CD 3.43Å; W79-R335 HydrophobicContact CZ2-CG 3.64Å; W79-R335 VanDerWaalsContact CZ2-CZ 3.49Å; W79-R335 PolarHBondContact O-NH1 2.74Å; W79-R335 PolarHBondContact O-NH2 2.73Å; D81-R335 IonicContact OD1-CZ 3.62Å; D81-R335 IonicContact OD1-NE 3.32Å; D81-R335 IonicContact OD1-NH2 3.73Å; D81-R335 PolarHBondContact OD1-NH2 3.05Å
336C95.3Very high93.3Very high12 Ų1234.1 Ų34.18%0.08118%0.178CC..SBendtrans-154170.2177.673.60000111.5F76 C77 T334 Y338 Y339F76-C336 WeakPolarHBondContact CD2-O 3.37Å; C77-C336 PolarHBondContact SG-N 2.86Å; C77-C336 PolarHBondContact SG-O 3.48Å; T334-C336 HydrophobicContact CG2-CB 4.26Å; T334-C336 PolarHBondContact O-N 3.22Å; C336-Y338 VanDerWaalsContact C-N 3.27Å; C336-Y338 HydrophobicContact CB-CD2 4.2Å; C336-Y338 PolarHBondContact O-N 3.14Å; C336-Y338 PolarHBondContact SG-N 3.29Å; C336-Y338 VanDerWaalsContact SG-N 3.42Å; C336-Y339 VanDerWaalsContact SG-CE1 3.56Å
337I97.2Very high93.2Very high40 Ų4036.7 Ų36.721%0.20519%0.192CC..SBendtrans-83.4-0.817765.4172.6000113.4F76 M144 E147 V151 R207F76-I337 WeakPolarHBondContact CB-O 3.4Å; F76-I337 VanDerWaalsContact CD1-O 3.24Å; F76-I337 WeakPolarHBondContact CD1-O 3.46Å; F76-I337 VanDerWaalsContact CD2-CA 3.5Å; F76-I337 HydrophobicContact CD2-CB 4.26Å; F76-I337 HydrophobicContact CD2-CG2 4.44Å; F76-I337 HydrophobicContact CE1-CB 4.46Å; F76-I337 HydrophobicContact CE2-CB 4.05Å; F76-I337 HydrophobicContact CE2-CG2 3.86Å; F76-I337 VanDerWaalsContact CG-O 3.26Å; F76-I337 WeakPolarHBondContact CG-O 3.24Å; F76-I337 HydrophobicContact CZ-CB 4.15Å; F76-I337 HydrophobicContact CZ-CG2 4.1Å; M144-I337 HydrophobicContact CE-CG2 4.23Å; E147-I337 HydrophobicContact CB-CG2 3.8Å; E147-I337 HydrophobicContact CG-CG2 4.1Å; V151-I337 HydrophobicContact CG1-CD1 4.06Å; R207-I337 PolarHBondContact NE-O 3.11Å; R207-I337 PolarHBondContact NH1-O 3.48Å; R207-I337 PolarHBondContact NH2-O 2.93Å
338Y95.2Very high93.3Very high56 Ų5633.4 Ų33.422%0.2216%0.155CC..  trans-94.7-27.4-166-56.7-55.4000115S190 R192 D193 R207 C336S190-Y338 WeakPolarHBondContact O-CE1 3.27Å; R192-Y338 WeakPolarHBondContact O-CE1 3.01Å; D193-Y338 HydrophobicContact CB-CD1 3.64Å; D193-Y338 HydrophobicContact CB-CE1 4.29Å; D193-Y338 HydrophobicContact CB-CG 3.84Å; R207-Y338 WeakPolarHBondContact CG-O 3.43Å; C336-Y338 VanDerWaalsContact C-N 3.27Å; C336-Y338 HydrophobicContact CB-CD2 4.2Å; C336-Y338 PolarHBondContact O-N 3.14Å; C336-Y338 PolarHBondContact SG-N 3.29Å; C336-Y338 VanDerWaalsContact SG-N 3.42Å
339Y85.8Confident93.4Very high5 Ų525.5 Ų25.52%0.0212%0.119CC..  trans-158.10-179.260.8-85.4000115F76 C77 E274 R278 H332 T334 C336F76-Y339 CarbonylContact C-O 3.59Å; F76-Y339 VanDerWaalsContact CA-C 3.43Å; F76-Y339 WeakPolarHBondContact CA-O 3.35Å; F76-Y339 WeakPolarHBondContact CB-O 3.37Å; C77-Y339 PolarHBondContact N-O 3.23Å; C77-Y339 PolarHBondContact SG-O 3.15Å; E274-Y339 WeakPolarHBondContact CG-OH 3.49Å; E274-Y339 WeakPolarHBondContact OE1-CE1 3.24Å; E274-Y339 PolarHBondContact OE1-OH 2.68Å; R278-Y339 VanDerWaalsContact CZ-CE1 3.48Å; H332-Y339 AromaticContact NE2-CE2 3.31Å; H332-Y339 VanDerWaalsContact NE2-CE2 3.31Å; H332-Y339 WeakPolarHBondContact NE2-CE2 3.3Å; H332-Y339 AromaticContact NE2-CZ 3.8Å; T334-Y339 WeakPolarHBondContact CB-OH 3.15Å; T334-Y339 HydrophobicContact CG2-CE1 4.4Å; T334-Y339 VanDerWaalsContact CG2-OH 3.23Å; T334-Y339 WeakPolarHBondContact CG2-OH 3.3Å; T334-Y339 PolarHBondContact OG1-OH 2.86Å; C336-Y339 VanDerWaalsContact SG-CE1 3.56Å

Retrieved 339 of 339 residues in 229.7 ms (Link to these results)

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