A0A077YX72_TRITR Loading...

Ionotropic glutamate receptor L-glutamate and glycine-binding domain-containing protein

AlphaFold DB , UniProt , Accession A0A077YX72, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 409 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
1M47.6Very low83.5Confident145 Ų14558.6 Ų58.671%0.71430%0.304SS*.  0124.50-73.9170176.700105.4N3M1-N3 PolarHBondContact O-N 3.4Å; M1-N3 VanDerWaalsContact O-N 3.08Å
2D54.4Low83.9Confident139 Ų13958.9 Ų58.974%0.74331%0.312SS*.  trans-52.4121.1164.4-76.1-29.3000106.3N4 T5D2-N4 PolarHBondContact O-N 3.36Å; D2-T5 PolarHBondContact O-N 3.01Å
3N65.4Low83.9Confident136 Ų13660.5 Ų60.573%0.72731%0.311SS*.THydrogen-bonded Turntrans-642.8-161.5-131.915000114.1M1M1-N3 PolarHBondContact O-N 3.4Å; M1-N3 VanDerWaalsContact O-N 3.08Å
4N81.7Confident83.8Confident102 Ų10261.6 Ų61.655%0.54531%0.313SS..THydrogen-bonded Turntrans-119.5-2.3-172.5-67.15.1000114D2 S45D2-N4 PolarHBondContact O-N 3.36Å; N4-S45 PolarHBondContact O-N 3.29Å
5T92.8Very high83.8Confident58 Ų5858.7 Ų58.736%0.35630%0.298SS..EExtended strand (participates in β ladder)trans-102.4115.5179.9-52.60000111.6D2 S45 V47D2-T5 PolarHBondContact O-N 3.01Å; T5-S45 CarbonylContact C-O 3.56Å; T5-S45 VanDerWaalsContact CA-O 3.27Å; T5-S45 WeakPolarHBondContact CA-O 3.5Å; T5-V47 HydrophobicContact CG2-CG2 3.63Å
6L94.9Very high84.1Confident4 Ų455.7 Ų55.72%0.02128%0.283CS..EExtended strand (participates in β ladder)trans-99.7122.9179.8-177.868000111I8 L44 S45 V46 V47 D79 I80 F328 F334L6-I8 HydrophobicContact CD2-CD1 4.14Å; L6-I8 HydrophobicContact CD2-CG1 4.08Å; L6-I8 HydrophobicContact CG-CG1 4.08Å; L6-L44 HydrophobicContact CD2-CD1 4.12Å; L6-S45 PolarHBondContact N-O 3.36Å; L6-V46 WeakPolarHBondContact O-CA 3.43Å; L6-V47 PolarHBondContact O-N 2.87Å; L6-D79 HydrophobicContact CD1-CB 3.97Å; L6-I80 HydrophobicContact CD1-CG2 4Å; L6-I80 HydrophobicContact CD2-CG2 4.11Å; L6-I80 HydrophobicContact CG-CG2 4.08Å; L6-F328 HydrophobicContact CD1-CE2 3.8Å; L6-F328 HydrophobicContact CD1-CZ 3.63Å; L6-F334 HydrophobicContact CD2-CE2 4.21Å
7R96.4Very high84.6Confident58 Ų5856.4 Ų56.422%0.21928%0.284CS..EExtended strand (participates in β ladder)trans-93.6114.9175.8-58.3170.5-64.5156.99.4110.6V47 V49 N76 E77 D79 I80R7-V47 CarbonylContact C-O 3.57Å; R7-V47 VanDerWaalsContact CA-O 3.29Å; R7-V47 WeakPolarHBondContact CA-O 3.34Å; R7-V47 HydrophobicContact CG-CB 4.48Å; R7-V49 HydrophobicContact CB-CG2 4.45Å; R7-N76 PolarHBondContact NH1-O 3.49Å; R7-N76 PolarHBondContact NH2-O 3.22Å; R7-N76 VanDerWaalsContact NH2-O 3.07Å; R7-E77 PolarHBondContact NH1-O 3.41Å; R7-D79 VanDerWaalsContact CB-OD2 3.27Å; R7-D79 WeakPolarHBondContact CB-OD2 3.35Å; R7-D79 WeakPolarHBondContact CG-OD2 3.46Å; R7-D79 IonicContact CZ-OD1 3.57Å; R7-D79 IonicContact CZ-OD2 3.51Å; R7-D79 PolarHBondContact N-OD2 3.34Å; R7-D79 IonicContact NE-OD1 3.5Å; R7-D79 IonicContact NE-OD2 3.02Å; R7-D79 PolarHBondContact NE-OD2 2.81Å; R7-D79 IonicContact NH2-OD1 3.61Å; R7-D79 PolarHBondContact NH2-OD1 3.45Å; R7-D79 IonicContact NH2-OD2 3.25Å; R7-D79 PolarHBondContact O-N 3.18Å; R7-I80 PolarHBondContact O-N 3.06Å
8I97.3Very high85.1Confident1 Ų154.8 Ų54.81%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-105.2120.7-177.9-54.6-176.9000109.3L6 V10 F21 L35 V46 V47 L48 V49 I80L6-I8 HydrophobicContact CD2-CD1 4.14Å; L6-I8 HydrophobicContact CD2-CG1 4.08Å; L6-I8 HydrophobicContact CG-CG1 4.08Å; I8-V10 HydrophobicContact CG2-CG2 4.31Å; I8-F21 HydrophobicContact CD1-CE2 4.47Å; I8-F21 HydrophobicContact CD1-CZ 4.08Å; I8-L35 HydrophobicContact CD1-CB 4.35Å; I8-L35 HydrophobicContact CD1-CD1 4.25Å; I8-L35 HydrophobicContact CG2-CD1 3.87Å; I8-V46 HydrophobicContact CD1-CG1 3.45Å; I8-V46 VanDerWaalsContact CD1-CG1 3.45Å; I8-V46 HydrophobicContact CD1-CG2 4.31Å; I8-V46 HydrophobicContact CG1-CG1 3.82Å; I8-V47 PolarHBondContact N-O 2.9Å; I8-L48 HydrophobicContact CB-CD2 3.76Å; I8-L48 HydrophobicContact CD1-CD2 4.31Å; I8-L48 HydrophobicContact CG1-CD2 4.43Å; I8-L48 HydrophobicContact CG2-CD2 4.18Å; I8-L48 WeakPolarHBondContact O-CA 3.35Å; I8-V49 PolarHBondContact O-N 2.87Å; I8-I80 WeakPolarHBondContact CA-O 3.4Å; I8-I80 HydrophobicContact CB-CG2 4.25Å; I8-I80 HydrophobicContact CG1-CG2 3.71Å; I8-I80 HydrophobicContact CG2-CG2 4.37Å
9G97.3Very high85.5Confident0 Ų058.6 Ų58.60%030%0.295CS..EExtended strand (participates in β ladder)trans-87.2118.5177.500000113V49 L69 I80 G82G9-V49 CarbonylContact C-O 3.5Å; G9-V49 VanDerWaalsContact CA-O 3.29Å; G9-V49 WeakPolarHBondContact CA-O 3.48Å; G9-L69 VanDerWaalsContact O-CD2 3.32Å; G9-L69 WeakPolarHBondContact O-CD2 3.35Å; G9-I80 PolarHBondContact N-O 2.89Å; G9-G82 WeakPolarHBondContact O-CA 3.44Å; G9-G82 PolarHBondContact O-N 2.83Å
10V97Very high85.9Confident1 Ų156.3 Ų56.31%0.00628%0.284CS..EExtended strand (participates in β ladder)trans-110.3118.2-177.4-175.80000110I8 M16 P18 L32 L48 V49 I50 A51I8-V10 HydrophobicContact CG2-CG2 4.31Å; V10-M16 HydrophobicContact CG1-CB 4.3Å; V10-M16 HydrophobicContact CG1-CE 3.8Å; V10-P18 HydrophobicContact CG1-CB 4.48Å; V10-L32 HydrophobicContact CG2-CD1 4.46Å; V10-L32 HydrophobicContact CG2-CD2 4Å; V10-L48 HydrophobicContact CG2-CD2 4.28Å; V10-V49 PolarHBondContact N-O 3.07Å; V10-I50 HydrophobicContact CB-CD1 3.95Å; V10-I50 HydrophobicContact CG2-CD1 4.47Å; V10-I50 WeakPolarHBondContact O-CA 3.35Å; V10-A51 PolarHBondContact O-N 3.23Å
11A94.3Very high86.2Confident1 Ų154.7 Ų54.71%0.00828%0.276CS..  trans-79.6135.5169.600000109.7W13 L69 N83A11-W13 PolarHBondContact O-N 3.47Å; A11-L69 HydrophobicContact CB-CD1 3.78Å; A11-L69 HydrophobicContact CB-CD2 4.31Å; A11-L69 HydrophobicContact CB-CG 3.98Å; A11-N83 WeakPolarHBondContact CA-OD1 3.28Å; A11-N83 WeakPolarHBondContact CB-OD1 3.47Å; A11-N83 PolarHBondContact N-OD1 3.49Å
12P88.1Confident88.1Confident62 Ų6251.5 Ų51.540%0.40326%0.261SS..  trans-58.9124.4177.8-23.632.5000111.5I50 A51 T54P12-I50 HydrophobicContact CG-CG2 4.27Å; P12-A51 WeakPolarHBondContact CD-O 3.4Å; P12-A51 VanDerWaalsContact CG-O 3.29Å; P12-A51 WeakPolarHBondContact CG-O 3.48Å; P12-T54 HydrophobicContact CB-CG2 4.35Å; P12-T54 VanDerWaalsContact O-CG2 3.31Å; P12-T54 WeakPolarHBondContact O-CG2 3.45Å
13W83.7Confident89.9Confident79 Ų7948.2 Ų48.230%0.29925%0.246SC..  trans-146.4141.3171.9-173.8-49.1000107.1A11 M15 M16 F293A11-W13 PolarHBondContact O-N 3.47Å; W13-M15 PolarHBondContact O-N 2.97Å; W13-M16 HydrophobicContact CB-CB 4.3Å; W13-M16 HydrophobicContact CB-CG 3.95Å; W13-M16 PolarHBondContact O-N 3.31Å; W13-F293 AromaticContact CH2-CD2 3.45Å; W13-F293 HydrophobicContact CH2-CD2 3.45Å; W13-F293 VanDerWaalsContact CH2-CD2 3.45Å; W13-F293 AromaticContact CH2-CE2 3.96Å; W13-F293 HydrophobicContact CH2-CE2 3.96Å; W13-F293 AromaticContact CZ2-CD2 3.41Å; W13-F293 HydrophobicContact CZ2-CD2 3.41Å; W13-F293 VanDerWaalsContact CZ2-CD2 3.41Å; W13-F293 AromaticContact CZ2-CE2 3.8Å; W13-F293 HydrophobicContact CZ2-CE2 3.8Å; W13-F293 HydrophobicContact CZ2-CG 4.46Å
14F82.1Confident90.9Very high77 Ų7747 Ų4734%0.33825%0.246SC..THydrogen-bonded Turntrans-55.1-12.3-179.473.4-90.5000117.3V296 Y297 L300F14-V296 HydrophobicContact CE2-CG1 3.61Å; F14-V296 HydrophobicContact CZ-CG1 3.48Å; F14-V296 VanDerWaalsContact CZ-CG1 3.48Å; F14-Y297 HydrophobicContact CE1-CD1 4.07Å; F14-Y297 AromaticContact CE1-CE1 3.42Å; F14-Y297 HydrophobicContact CE1-CE1 3.42Å; F14-Y297 VanDerWaalsContact CE1-CE1 3.42Å; F14-Y297 AromaticContact CZ-CD1 3.87Å; F14-Y297 HydrophobicContact CZ-CD1 3.87Å; F14-Y297 AromaticContact CZ-CE1 3.72Å; F14-Y297 HydrophobicContact CZ-CE1 3.72Å; F14-L300 HydrophobicContact CD2-CD1 3.73Å; F14-L300 HydrophobicContact CE2-CD1 3.37Å; F14-L300 HydrophobicContact CZ-CD1 4.3Å
15M83.8Confident91.3Very high17 Ų1751 Ų518%0.08427%0.267CS..THydrogen-bonded Turntrans-101.8-8.9177.1-69.4-61.9-73.700112.3W13 Y27 G29 Y30 V296 M299W13-M15 PolarHBondContact O-N 2.97Å; M15-Y27 HydrophobicContact CE-CE1 4.41Å; M15-G29 WeakPolarHBondContact O-CA 3.23Å; M15-Y30 HydrophobicContact CB-CE1 4.2Å; M15-Y30 HydrophobicContact CE-CD1 4.3Å; M15-Y30 HydrophobicContact CE-CE1 4.2Å; M15-Y30 HydrophobicContact CG-CE1 4.34Å; M15-V296 HydrophobicContact CE-CG1 4.07Å; M15-V296 HydrophobicContact CG-CG1 3.55Å; M15-V296 HydrophobicContact SD-CG1 3.72Å; M15-M299 HydrophobicContact CE-CE 4.04Å; M15-M299 HydrophobicContact SD-CE 4.34Å
16M88.6Confident91.2Very high11 Ų1150.6 Ų50.65%0.05427%0.266CS..  trans-100.9112.6-176.7-66.4-69.5-82.800107.9V10 W13 P18 E31 L32V10-M16 HydrophobicContact CG1-CB 4.3Å; V10-M16 HydrophobicContact CG1-CE 3.8Å; W13-M16 HydrophobicContact CB-CB 4.3Å; W13-M16 HydrophobicContact CB-CG 3.95Å; W13-M16 PolarHBondContact O-N 3.31Å; M16-P18 VanDerWaalsContact C-CD 3.42Å; M16-P18 WeakPolarHBondContact O-CD 3.23Å; M16-E31 HydrophobicContact CE-CB 4.02Å; M16-E31 WeakPolarHBondContact CE-OE2 3.42Å; M16-E31 HydrophobicContact SD-CB 3.84Å; M16-E31 HydrophobicContact SD-CG 4.11Å; M16-E31 VanDerWaalsContact SD-OE2 3.34Å; M16-L32 HydrophobicContact CE-CD1 3.96Å; M16-L32 HydrophobicContact CE-CD2 3.53Å; M16-L32 HydrophobicContact CE-CG 3.36Å; M16-L32 HydrophobicContact SD-CD1 4.49Å; M16-L32 HydrophobicContact SD-CG 3.94Å
17H92.7Very high91Very high67 Ų6753.1 Ų53.131%0.3128%0.276SS..  trans-114.775.2179.7-65.8-69000108.4E19 C20 Y27 S28H17-E19 VanDerWaalsContact C-OE2 3.3Å; H17-E19 WeakPolarHBondContact CA-OE2 3.44Å; H17-E19 WeakPolarHBondContact CB-OE1 3.47Å; H17-E19 IonicContact CG-OE1 3.14Å; H17-E19 IonicContact ND1-OE1 2.67Å; H17-E19 PolarHBondContact ND1-OE1 3.46Å; H17-E19 PolarHBondContact O-N 2.9Å; H17-E19 VanDerWaalsContact O-N 3.12Å; H17-C20 HydrophobicContact CB-CB 4.18Å; H17-C20 WeakPolarHBondContact O-CB 3.27Å; H17-C20 PolarHBondContact O-N 3Å; H17-Y27 WeakPolarHBondContact CB-O 3.38Å; H17-S28 PolarHBondContact N-O 2.88Å; H17-S28 WeakPolarHBondContact O-CA 3.27Å
18P93.2Very high90.9Very high28 Ų2850.4 Ų50.418%0.18227%0.266CS..G310 helixtrans-57.2-26.3-179.625-35.5000112.9V10 M16 C20 F21 L32 L48 I50V10-P18 HydrophobicContact CG1-CB 4.48Å; M16-P18 VanDerWaalsContact C-CD 3.42Å; M16-P18 WeakPolarHBondContact O-CD 3.23Å; P18-C20 PolarHBondContact O-N 3.08Å; P18-F21 VanDerWaalsContact O-CB 3.31Å; P18-F21 WeakPolarHBondContact O-CB 3.26Å; P18-F21 PolarHBondContact O-N 3.33Å; P18-F21 VanDerWaalsContact O-N 3.14Å; P18-L32 HydrophobicContact CB-CD1 4.36Å; P18-L48 HydrophobicContact CB-CD1 3.56Å; P18-L48 VanDerWaalsContact O-CD1 3.28Å; P18-L48 WeakPolarHBondContact O-CD1 3.15Å; P18-I50 HydrophobicContact CB-CD1 3.56Å; P18-I50 HydrophobicContact CG-CD1 3.56Å
19E92.8Very high90.6Very high128 Ų12850.4 Ų50.460%0.59827%0.266SS*.G310 helixtrans-61.6-22.3172.766.1-82.3-169.400114.2H17H17-E19 VanDerWaalsContact C-OE2 3.3Å; H17-E19 WeakPolarHBondContact CA-OE2 3.44Å; H17-E19 WeakPolarHBondContact CB-OE1 3.47Å; H17-E19 IonicContact CG-OE1 3.14Å; H17-E19 IonicContact ND1-OE1 2.67Å; H17-E19 PolarHBondContact ND1-OE1 3.46Å; H17-E19 PolarHBondContact O-N 2.9Å; H17-E19 VanDerWaalsContact O-N 3.12Å
20C93.9Very high90.3Very high11 Ų1150.6 Ų50.67%0.07427%0.266CS..G310 helixtrans-89.8-1.9177.1-760000113.4H17 P18 L22 V23 C26H17-C20 HydrophobicContact CB-CB 4.18Å; H17-C20 WeakPolarHBondContact O-CB 3.27Å; H17-C20 PolarHBondContact O-N 3Å; P18-C20 PolarHBondContact O-N 3.08Å; C20-L22 PolarHBondContact O-N 2.96Å; C20-V23 WeakPolarHBondContact O-CB 3.5Å; C20-V23 PolarHBondContact O-N 2.83Å; C20-C26 WeakPolarHBondContact CA-SG 3.27Å; C20-C26 HydrophobicContact CB-CB 3.44Å; C20-C26 VanDerWaalsContact CB-CB 3.44Å; C20-C26 WeakPolarHBondContact CB-SG 3.42Å; C20-C26 WeakPolarHBondContact SG-CB 3.24Å; C20-C26 CovalentContact SG-SG 2.03Å; C20-C26 PolarHBondContact SG-SG 3.32Å
21F92.6Very high90.2Very high23 Ų2350.8 Ų50.810%0.10127%0.267CS..THydrogen-bonded Turntrans-64.6122-171.1-167.9-88.2000112.3I8 P18 V23 L32 L35 E36 V46 L48I8-F21 HydrophobicContact CD1-CE2 4.47Å; I8-F21 HydrophobicContact CD1-CZ 4.08Å; P18-F21 VanDerWaalsContact O-CB 3.31Å; P18-F21 WeakPolarHBondContact O-CB 3.26Å; P18-F21 PolarHBondContact O-N 3.33Å; P18-F21 VanDerWaalsContact O-N 3.14Å; F21-V23 PolarHBondContact O-N 3.49Å; F21-L32 HydrophobicContact CD2-CB 3.97Å; F21-L32 HydrophobicContact CD2-CD1 4.16Å; F21-L32 HydrophobicContact CD2-CD2 4.36Å; F21-L32 HydrophobicContact CD2-CG 4.35Å; F21-L32 HydrophobicContact CE2-CB 4.21Å; F21-L32 HydrophobicContact CE2-CD2 4.36Å; F21-L35 HydrophobicContact CE2-CB 4.25Å; F21-E36 VanDerWaalsContact CA-OE1 3.26Å; F21-E36 WeakPolarHBondContact CA-OE1 3.41Å; F21-E36 HydrophobicContact CD1-CG 4.3Å; F21-E36 HydrophobicContact CD2-CG 3.62Å; F21-E36 HydrophobicContact CE1-CG 4.07Å; F21-E36 HydrophobicContact CE2-CB 4.44Å; F21-E36 HydrophobicContact CE2-CG 3.37Å; F21-E36 HydrophobicContact CG-CG 4.09Å; F21-E36 HydrophobicContact CZ-CB 4.42Å; F21-E36 HydrophobicContact CZ-CG 3.6Å; F21-V46 HydrophobicContact CD1-CG1 4.25Å; F21-V46 HydrophobicContact CE1-CB 3.75Å; F21-V46 HydrophobicContact CE1-CG1 3.53Å; F21-V46 HydrophobicContact CE1-CG2 3.99Å; F21-V46 HydrophobicContact CZ-CB 4.39Å; F21-V46 HydrophobicContact CZ-CG1 3.9Å; F21-V46 HydrophobicContact CZ-CG2 4.29Å; F21-L48 HydrophobicContact CB-CD1 3.53Å; F21-L48 HydrophobicContact CB-CG 4.44Å; F21-L48 HydrophobicContact CD1-CD1 4.44Å; F21-L48 HydrophobicContact CD1-CD2 4.38Å; F21-L48 HydrophobicContact CD2-CD1 4.21Å; F21-L48 HydrophobicContact CD2-CD2 4.19Å; F21-L48 HydrophobicContact CE2-CD2 4.36Å; F21-L48 HydrophobicContact CG-CD1 3.83Å; F21-L48 HydrophobicContact CG-CD2 4.21Å; F21-L48 HydrophobicContact CG-CG 4.32Å
22L87.8Confident90.3Very high79 Ų7950.8 Ų50.841%0.41427%0.267SS..THydrogen-bonded Turntrans59.117.2-173.2-61.7169.5000114.6C20 E36 Q40C20-L22 PolarHBondContact O-N 2.96Å; L22-E36 HydrophobicContact CD2-CB 4.13Å; L22-E36 HydrophobicContact CD2-CG 4.11Å; L22-E36 HydrophobicContact CG-CG 4.3Å; L22-E36 PolarHBondContact N-OE1 3.13Å; L22-Q40 HydrophobicContact CD2-CG 4.07Å
23V91.2Very high90.6Very high69 Ų6950.1 Ų50.142%0.41826%0.258SS..  trans-92.2119.2174.1-1790000108.7C20 F21 D25 C26C20-V23 WeakPolarHBondContact O-CB 3.5Å; C20-V23 PolarHBondContact O-N 2.83Å; F21-V23 PolarHBondContact O-N 3.49Å; V23-D25 PolarHBondContact O-N 3.3Å; V23-C26 HydrophobicContact CB-CB 3.8Å; V23-C26 HydrophobicContact CG1-CB 3.83Å; V23-C26 WeakPolarHBondContact O-CB 3.49Å; V23-C26 PolarHBondContact O-N 2.86Å
24P87.9Confident91.2Very high112 Ų11246.3 Ų46.373%0.72724%0.244SC*.THydrogen-bonded Turntrans-54.9141.3177.1-24.433.8000111.9C26P24-C26 PolarHBondContact O-N 3.18Å; P24-C26 VanDerWaalsContact O-N 3.13Å
25D88.5Confident91.9Very high184 Ų18442.8 Ų42.898%0.98423%0.229SC*.THydrogen-bonded Turntrans60.413.8-179.7-55.1-44.2000115.8V23V23-D25 PolarHBondContact O-N 3.3Å
26C92Very high92.4Very high50 Ų5043.2 Ų43.234%0.33823%0.23SC..  trans-113.4128.6175.1-149.90000109.1C20 V23 P24C20-C26 WeakPolarHBondContact CA-SG 3.27Å; C20-C26 HydrophobicContact CB-CB 3.44Å; C20-C26 VanDerWaalsContact CB-CB 3.44Å; C20-C26 WeakPolarHBondContact CB-SG 3.42Å; C20-C26 WeakPolarHBondContact SG-CB 3.24Å; C20-C26 CovalentContact SG-SG 2.03Å; C20-C26 PolarHBondContact SG-SG 3.32Å; V23-C26 HydrophobicContact CB-CB 3.8Å; V23-C26 HydrophobicContact CG1-CB 3.83Å; V23-C26 WeakPolarHBondContact O-CB 3.49Å; V23-C26 PolarHBondContact O-N 2.86Å; P24-C26 PolarHBondContact O-N 3.18Å; P24-C26 VanDerWaalsContact O-N 3.13Å
27Y90.7Very high92.8Very high57 Ų5745.5 Ų45.522%0.22424%0.243CC..  trans-92.3111-178.6173.3-113000110.6M15 H17 G29 Y30 E33 K352M15-Y27 HydrophobicContact CE-CE1 4.41Å; H17-Y27 WeakPolarHBondContact CB-O 3.38Å; Y27-G29 VanDerWaalsContact C-N 3.32Å; Y27-G29 VanDerWaalsContact CZ-CA 3.43Å; Y27-G29 PolarHBondContact O-N 3.49Å; Y27-Y30 WeakPolarHBondContact OH-CB 3.31Å; Y27-Y30 PolarHBondContact OH-N 2.74Å; Y27-E33 VanDerWaalsContact CE2-OE2 3.27Å; Y27-E33 WeakPolarHBondContact CE2-OE2 3.27Å; Y27-K352 HydrophobicContact CE1-CD 4.45Å; Y27-K352 HydrophobicContact CE2-CD 4.41Å; Y27-K352 VanDerWaalsContact CE2-CE 3.42Å; Y27-K352 HydrophobicContact CE2-CG 4.45Å
28S93Very high92.9Very high2 Ų242.3 Ų42.31%0.01423%0.228CC..  trans-77.6-13.4-177.957.60000115H17 L32 E36H17-S28 PolarHBondContact N-O 2.88Å; H17-S28 WeakPolarHBondContact O-CA 3.27Å; S28-L32 WeakPolarHBondContact OG-CB 3.36Å; S28-E36 WeakPolarHBondContact CB-OE1 3.1Å; S28-E36 PolarHBondContact OG-OE1 2.83Å
29G91.8Very high93Very high0 Ų041.2 Ų41.20%022%0.221CC..  trans110149.3-172.700000111M15 Y27 E31 L32 E33M15-G29 WeakPolarHBondContact O-CA 3.23Å; Y27-G29 VanDerWaalsContact C-N 3.32Å; Y27-G29 VanDerWaalsContact CZ-CA 3.43Å; Y27-G29 PolarHBondContact O-N 3.49Å; G29-E31 VanDerWaalsContact C-N 3.26Å; G29-E31 PolarHBondContact O-N 3.49Å; G29-L32 PolarHBondContact O-N 3.46Å; G29-E33 WeakPolarHBondContact O-CB 3.44Å; G29-E33 PolarHBondContact O-N 2.92Å
30Y91.4Very high93.1Very high4 Ų440.2 Ų40.22%0.01622%0.216CC..Hα-helixtrans-64.6-31.6-171.152.4-97.7000112.3M15 Y27 V34 W102 T292 V296 L349M15-Y30 HydrophobicContact CB-CE1 4.2Å; M15-Y30 HydrophobicContact CE-CD1 4.3Å; M15-Y30 HydrophobicContact CE-CE1 4.2Å; M15-Y30 HydrophobicContact CG-CE1 4.34Å; Y27-Y30 WeakPolarHBondContact OH-CB 3.31Å; Y27-Y30 PolarHBondContact OH-N 2.74Å; Y30-V34 WeakPolarHBondContact O-CG2 3.4Å; Y30-V34 PolarHBondContact O-N 2.9Å; Y30-W102 AromaticContact CD2-CH2 3.55Å; Y30-W102 HydrophobicContact CD2-CH2 3.55Å; Y30-W102 HydrophobicContact CD2-CZ2 4.18Å; Y30-W102 AromaticContact CD2-CZ3 3.85Å; Y30-W102 HydrophobicContact CD2-CZ3 3.85Å; Y30-W102 HydrophobicContact CE2-CH2 4.28Å; Y30-W102 HydrophobicContact CE2-CZ3 4.11Å; Y30-T292 HydrophobicContact CE2-CG2 4.47Å; Y30-V296 HydrophobicContact CE1-CG2 4.16Å; Y30-L349 HydrophobicContact CD1-CD1 4.3Å; Y30-L349 HydrophobicContact CD2-CD1 3.96Å; Y30-L349 HydrophobicContact CE2-CD1 4.19Å; Y30-L349 HydrophobicContact CG-CD1 4.04Å
31E94.2Very high93.1Very high6 Ų643.1 Ų43.13%0.02823%0.23CC..Hα-helixtrans-70.4-38174.3-45.6-177.5122.600111.7M16 G29 G82 N83 V84 W102 Y322M16-E31 HydrophobicContact CE-CB 4.02Å; M16-E31 WeakPolarHBondContact CE-OE2 3.42Å; M16-E31 HydrophobicContact SD-CB 3.84Å; M16-E31 HydrophobicContact SD-CG 4.11Å; M16-E31 VanDerWaalsContact SD-OE2 3.34Å; G29-E31 VanDerWaalsContact C-N 3.26Å; G29-E31 PolarHBondContact O-N 3.49Å; E31-G82 WeakPolarHBondContact CB-O 3.37Å; E31-N83 VanDerWaalsContact OE2-CA 3.29Å; E31-N83 WeakPolarHBondContact OE2-CA 3.47Å; E31-N83 WeakPolarHBondContact OE2-CB 3.39Å; E31-N83 PolarHBondContact OE2-ND2 3.27Å; E31-V84 HydrophobicContact CG-CG2 4.33Å; E31-V84 WeakPolarHBondContact OE1-CG2 3.36Å; E31-V84 PolarHBondContact OE1-N 2.83Å; E31-W102 HydrophobicContact CG-CH2 4.35Å; E31-W102 HydrophobicContact CG-CZ3 4.1Å; E31-Y322 PolarHBondContact O-OH 3.23Å
32L95.8Very high93.3Very high0 Ų044.2 Ų44.20%024%0.236CC..Hα-helixtrans-77.8-35.4177.8-68.5-171.5000112.4V10 M16 P18 F21 S28 G29 V34 L35 E36V10-L32 HydrophobicContact CG2-CD1 4.46Å; V10-L32 HydrophobicContact CG2-CD2 4Å; M16-L32 HydrophobicContact CE-CD1 3.96Å; M16-L32 HydrophobicContact CE-CD2 3.53Å; M16-L32 HydrophobicContact CE-CG 3.36Å; M16-L32 HydrophobicContact SD-CD1 4.49Å; M16-L32 HydrophobicContact SD-CG 3.94Å; P18-L32 HydrophobicContact CB-CD1 4.36Å; F21-L32 HydrophobicContact CD2-CB 3.97Å; F21-L32 HydrophobicContact CD2-CD1 4.16Å; F21-L32 HydrophobicContact CD2-CD2 4.36Å; F21-L32 HydrophobicContact CD2-CG 4.35Å; F21-L32 HydrophobicContact CE2-CB 4.21Å; F21-L32 HydrophobicContact CE2-CD2 4.36Å; S28-L32 WeakPolarHBondContact OG-CB 3.36Å; G29-L32 PolarHBondContact O-N 3.46Å; L32-V34 VanDerWaalsContact C-N 3.28Å; L32-V34 PolarHBondContact O-N 3.43Å; L32-L35 HydrophobicContact CD2-CD1 4.01Å; L32-L35 CarbonylContact O-C 3.53Å; L32-L35 WeakPolarHBondContact O-CA 3.38Å; L32-L35 WeakPolarHBondContact O-CB 3.4Å; L32-L35 PolarHBondContact O-N 3.42Å; L32-E36 WeakPolarHBondContact O-CG 3.44Å; L32-E36 PolarHBondContact O-N 3.26Å
33E95Very high93.6Very high48 Ų4848.2 Ų48.222%0.22425%0.253CS..Hα-helixtrans-59.9-39178.4-172.1175.8165.600111.3Y27 G29 E36 L37 I348Y27-E33 VanDerWaalsContact CE2-OE2 3.27Å; Y27-E33 WeakPolarHBondContact CE2-OE2 3.27Å; G29-E33 WeakPolarHBondContact O-CB 3.44Å; G29-E33 PolarHBondContact O-N 2.92Å; E33-E36 PolarHBondContact O-N 3.41Å; E33-L37 WeakPolarHBondContact O-CG 3.26Å; E33-L37 PolarHBondContact O-N 3.11Å; E33-L37 VanDerWaalsContact O-N 3.12Å; E33-I348 HydrophobicContact CB-CG2 4.2Å; E33-I348 HydrophobicContact CG-CD1 4.12Å; E33-I348 HydrophobicContact CG-CG1 4.49Å; E33-I348 HydrophobicContact CG-CG2 4.27Å
34V96Very high93.7Very high0 Ų046 Ų460%024%0.238CC..Hα-helixtrans-62.3-43.8172171.80000111Y30 L32 L37 V38 V101 W102 Y322 L338 L341 K345 I348Y30-V34 WeakPolarHBondContact O-CG2 3.4Å; Y30-V34 PolarHBondContact O-N 2.9Å; L32-V34 VanDerWaalsContact C-N 3.28Å; L32-V34 PolarHBondContact O-N 3.43Å; V34-L37 PolarHBondContact O-N 2.94Å; V34-V38 WeakPolarHBondContact O-CG2 3.45Å; V34-V38 PolarHBondContact O-N 2.93Å; V34-V101 HydrophobicContact CG1-CG1 4.22Å; V34-V101 HydrophobicContact CG2-CG1 4.34Å; V34-W102 HydrophobicContact CG2-CH2 4.21Å; V34-W102 HydrophobicContact CG2-CZ2 3.91Å; V34-Y322 WeakPolarHBondContact CB-OH 3.3Å; V34-Y322 HydrophobicContact CG1-CE2 4.06Å; V34-L338 HydrophobicContact CG1-CD2 3.69Å; V34-L341 HydrophobicContact CG1-CD1 4.31Å; V34-K345 HydrophobicContact CG2-CB 4.03Å; V34-I348 HydrophobicContact CG2-CD1 3.8Å
35L96.4Very high94.1Very high2 Ų244 Ų441%0.0123%0.227CC..Hα-helixtrans-66.2-35.8177.8-71.6174.3000112.8I8 F21 L32 V38 A39 I80 Y322 F334I8-L35 HydrophobicContact CD1-CB 4.35Å; I8-L35 HydrophobicContact CD1-CD1 4.25Å; I8-L35 HydrophobicContact CG2-CD1 3.87Å; F21-L35 HydrophobicContact CE2-CB 4.25Å; L32-L35 HydrophobicContact CD2-CD1 4.01Å; L32-L35 CarbonylContact O-C 3.53Å; L32-L35 WeakPolarHBondContact O-CA 3.38Å; L32-L35 WeakPolarHBondContact O-CB 3.4Å; L32-L35 PolarHBondContact O-N 3.42Å; L35-V38 PolarHBondContact O-N 3.3Å; L35-A39 VanDerWaalsContact O-CB 3.26Å; L35-A39 WeakPolarHBondContact O-CB 3.16Å; L35-A39 PolarHBondContact O-N 3.36Å; L35-I80 HydrophobicContact CD2-CD1 4.34Å; L35-Y322 HydrophobicContact CD1-CD1 4.07Å; L35-Y322 HydrophobicContact CD1-CE1 3.54Å; L35-Y322 HydrophobicContact CD2-CD1 4.09Å; L35-Y322 HydrophobicContact CD2-CD2 4.03Å; L35-Y322 HydrophobicContact CD2-CE1 3.84Å; L35-Y322 HydrophobicContact CD2-CE2 3.78Å; L35-Y322 HydrophobicContact CD2-CG 4.17Å; L35-Y322 HydrophobicContact CG-CD1 4.3Å; L35-Y322 HydrophobicContact CG-CE1 3.63Å; L35-Y322 HydrophobicContact CG-CE2 4.13Å; L35-F334 HydrophobicContact CD2-CE1 4.22Å; L35-F334 HydrophobicContact CD2-CE2 4.37Å; L35-F334 HydrophobicContact CD2-CZ 3.44Å; L35-F334 VanDerWaalsContact CD2-CZ 3.44Å
36E95.5Very high94.4Very high26 Ų2636.8 Ų36.812%0.12119%0.19CC..Hα-helixtrans-61-47.3174.2-73.3174.7-168.300110.9F21 L22 S28 L32 E33 A39 Q40F21-E36 VanDerWaalsContact CA-OE1 3.26Å; F21-E36 WeakPolarHBondContact CA-OE1 3.41Å; F21-E36 HydrophobicContact CD1-CG 4.3Å; F21-E36 HydrophobicContact CD2-CG 3.62Å; F21-E36 HydrophobicContact CE1-CG 4.07Å; F21-E36 HydrophobicContact CE2-CB 4.44Å; F21-E36 HydrophobicContact CE2-CG 3.37Å; F21-E36 HydrophobicContact CG-CG 4.09Å; F21-E36 HydrophobicContact CZ-CB 4.42Å; F21-E36 HydrophobicContact CZ-CG 3.6Å; L22-E36 HydrophobicContact CD2-CB 4.13Å; L22-E36 HydrophobicContact CD2-CG 4.11Å; L22-E36 HydrophobicContact CG-CG 4.3Å; L22-E36 PolarHBondContact N-OE1 3.13Å; S28-E36 WeakPolarHBondContact CB-OE1 3.1Å; S28-E36 PolarHBondContact OG-OE1 2.83Å; L32-E36 WeakPolarHBondContact O-CG 3.44Å; L32-E36 PolarHBondContact O-N 3.26Å; E33-E36 PolarHBondContact O-N 3.41Å; E36-A39 PolarHBondContact O-N 3.4Å; E36-Q40 WeakPolarHBondContact O-CB 3.45Å; E36-Q40 VanDerWaalsContact O-CG 3.27Å; E36-Q40 WeakPolarHBondContact O-CG 3.26Å; E36-Q40 PolarHBondContact O-N 3.43Å
37L95.3Very high94.6Very high60 Ų6037.9 Ų37.931%0.31419%0.194SC..Hα-helixtrans-61.7-45.2177.3-67176000111.3E33 V34 A39 Q40 M41 L341 I348E33-L37 WeakPolarHBondContact O-CG 3.26Å; E33-L37 PolarHBondContact O-N 3.11Å; E33-L37 VanDerWaalsContact O-N 3.12Å; V34-L37 PolarHBondContact O-N 2.94Å; L37-A39 PolarHBondContact O-N 2.96Å; L37-Q40 PolarHBondContact O-N 3.47Å; L37-M41 WeakPolarHBondContact O-CB 3.42Å; L37-M41 VanDerWaalsContact O-CG 3.23Å; L37-M41 WeakPolarHBondContact O-CG 3.04Å; L37-M41 PolarHBondContact O-N 3.41Å; L37-L341 HydrophobicContact CB-CD1 4.2Å; L37-L341 HydrophobicContact CB-CD2 4.07Å; L37-L341 HydrophobicContact CD1-CD2 4.02Å; L37-I348 HydrophobicContact CD1-CD1 3.73Å
38V96.2Very high94.8Very high0 Ų037.3 Ų37.30%020%0.195CC..Hα-helixtrans-62.8-43.1176.6174.30000111.4V34 L35 Q40 M41 L42 F334 A337 L338 L341V34-V38 WeakPolarHBondContact O-CG2 3.45Å; V34-V38 PolarHBondContact O-N 2.93Å; L35-V38 PolarHBondContact O-N 3.3Å; V38-Q40 VanDerWaalsContact C-N 3.33Å; V38-Q40 PolarHBondContact O-N 3.44Å; V38-M41 PolarHBondContact O-N 3.37Å; V38-L42 HydrophobicContact CG1-CD1 3.86Å; V38-L42 HydrophobicContact CG1-CG 4.41Å; V38-L42 WeakPolarHBondContact O-CB 3.31Å; V38-L42 WeakPolarHBondContact O-CG 3.48Å; V38-L42 PolarHBondContact O-N 2.99Å; V38-F334 HydrophobicContact CB-CE2 4.34Å; V38-F334 HydrophobicContact CB-CZ 4.21Å; V38-F334 HydrophobicContact CG1-CD1 4.32Å; V38-F334 HydrophobicContact CG1-CD2 3.66Å; V38-F334 HydrophobicContact CG1-CE1 4.11Å; V38-F334 HydrophobicContact CG1-CE2 3.41Å; V38-F334 VanDerWaalsContact CG1-CE2 3.41Å; V38-F334 HydrophobicContact CG1-CG 4.1Å; V38-F334 HydrophobicContact CG1-CZ 3.64Å; V38-A337 HydrophobicContact CB-CB 4.5Å; V38-A337 HydrophobicContact CG1-CB 3.88Å; V38-A337 HydrophobicContact CG2-CB 4.24Å; V38-L338 HydrophobicContact CG2-CD2 3.77Å; V38-L338 HydrophobicContact CG2-CG 4.17Å; V38-L341 HydrophobicContact CG2-CD1 3.7Å
39A95.1Very high95Very high4 Ų439.2 Ų39.23%0.03321%0.207CC..Hα-helixtrans-63.5-39.4177.800000112L35 E36 L37 H43 L44 V46L35-A39 VanDerWaalsContact O-CB 3.26Å; L35-A39 WeakPolarHBondContact O-CB 3.16Å; L35-A39 PolarHBondContact O-N 3.36Å; E36-A39 PolarHBondContact O-N 3.4Å; L37-A39 PolarHBondContact O-N 2.96Å; A39-H43 WeakPolarHBondContact O-CA 3.44Å; A39-H43 PolarHBondContact O-N 2.79Å; A39-L44 PolarHBondContact O-N 3Å; A39-V46 HydrophobicContact CB-CG2 3.66Å
40Q94.3Very high95.2Very high107 Ų10743.2 Ų43.250%0.523%0.227SC..Hα-helixtrans-65.7-44.7174.6-741763.500111.9L22 E36 L37 V38 L42 H43L22-Q40 HydrophobicContact CD2-CG 4.07Å; E36-Q40 WeakPolarHBondContact O-CB 3.45Å; E36-Q40 VanDerWaalsContact O-CG 3.27Å; E36-Q40 WeakPolarHBondContact O-CG 3.26Å; E36-Q40 PolarHBondContact O-N 3.43Å; L37-Q40 PolarHBondContact O-N 3.47Å; V38-Q40 VanDerWaalsContact C-N 3.33Å; V38-Q40 PolarHBondContact O-N 3.44Å; Q40-L42 VanDerWaalsContact C-N 3.29Å; Q40-L42 PolarHBondContact O-N 2.82Å; Q40-H43 PolarHBondContact O-N 3.27Å; Q40-H43 PolarHBondContact O-ND1 3.06Å
41M95Very high95.4Very high72 Ų7243.2 Ų43.236%0.35523%0.228SC..Hα-helixtrans-61.2-36.9177.2-73172.569.800112.5L37 V38 A337 E340 L341L37-M41 WeakPolarHBondContact O-CB 3.42Å; L37-M41 VanDerWaalsContact O-CG 3.23Å; L37-M41 WeakPolarHBondContact O-CG 3.04Å; L37-M41 PolarHBondContact O-N 3.41Å; V38-M41 PolarHBondContact O-N 3.37Å; M41-A337 HydrophobicContact CE-CB 4.09Å; M41-A337 HydrophobicContact SD-CB 4.42Å; M41-E340 HydrophobicContact CE-CB 3.87Å; M41-E340 WeakPolarHBondContact CE-OE2 3.42Å; M41-L341 HydrophobicContact SD-CD2 3.87Å; M41-L341 HydrophobicContact SD-CG 3.96Å
42L95.3Very high95.3Very high47 Ų4750.9 Ų50.925%0.24627%0.269CS..THydrogen-bonded Turntrans-94.11-178.2-62.8-179.2000113.8V38 Q40 L44 K333 F334 A337V38-L42 HydrophobicContact CG1-CD1 3.86Å; V38-L42 HydrophobicContact CG1-CG 4.41Å; V38-L42 WeakPolarHBondContact O-CB 3.31Å; V38-L42 WeakPolarHBondContact O-CG 3.48Å; V38-L42 PolarHBondContact O-N 2.99Å; Q40-L42 VanDerWaalsContact C-N 3.29Å; Q40-L42 PolarHBondContact O-N 2.82Å; L42-L44 VanDerWaalsContact C-N 3.29Å; L42-L44 HydrophobicContact CB-CD1 3.82Å; L42-L44 HydrophobicContact CB-CD2 4.42Å; L42-L44 HydrophobicContact CB-CG 3.7Å; L42-L44 HydrophobicContact CD1-CD1 4.03Å; L42-L44 PolarHBondContact O-N 2.88Å; L42-K333 HydrophobicContact CD1-CB 4.34Å; L42-K333 HydrophobicContact CD2-CB 4.09Å; L42-F334 HydrophobicContact CD1-CD2 4.3Å; L42-A337 HydrophobicContact CD1-CB 4.43Å; L42-A337 HydrophobicContact CD2-CB 4.44Å; L42-A337 HydrophobicContact CG-CB 4.35Å
43H94.7Very high95Very high163 Ų16354.4 Ų54.476%0.75529%0.291SS*.THydrogen-bonded Turntrans5144.9-175.9-57.1-57.2000113.6A39 Q40A39-H43 WeakPolarHBondContact O-CA 3.44Å; A39-H43 PolarHBondContact O-N 2.79Å; Q40-H43 PolarHBondContact O-N 3.27Å; Q40-H43 PolarHBondContact O-ND1 3.06Å
44L94.4Very high94.7Very high22 Ų2257.2 Ų57.212%0.11531%0.311CS..  trans-91.8141.5-178.4-60.4174.6000111.5L6 A39 L42 L330L6-L44 HydrophobicContact CD2-CD1 4.12Å; A39-L44 PolarHBondContact O-N 3Å; L42-L44 VanDerWaalsContact C-N 3.29Å; L42-L44 HydrophobicContact CB-CD1 3.82Å; L42-L44 HydrophobicContact CB-CD2 4.42Å; L42-L44 HydrophobicContact CB-CG 3.7Å; L42-L44 HydrophobicContact CD1-CD1 4.03Å; L42-L44 PolarHBondContact O-N 2.88Å; L44-L330 HydrophobicContact CD1-CD1 3.96Å; L44-L330 HydrophobicContact CD2-CD1 3.84Å
45S94.5Very high94.3Very high71 Ų7158.8 Ų58.850%0.49733%0.328SS..EExtended strand (participates in β ladder)trans-80.4132.4163.7-64.70000108.7N4 T5 L6N4-S45 PolarHBondContact O-N 3.29Å; T5-S45 CarbonylContact C-O 3.56Å; T5-S45 VanDerWaalsContact CA-O 3.27Å; T5-S45 WeakPolarHBondContact CA-O 3.5Å; L6-S45 PolarHBondContact N-O 3.36Å
46V95.2Very high94.1Very high32 Ų3259.7 Ų59.719%0.19433%0.334CS..EExtended strand (participates in β ladder)trans-114.2138.1-175.8176.60000110.9L6 I8 F21 A39 L48L6-V46 WeakPolarHBondContact O-CA 3.43Å; I8-V46 HydrophobicContact CD1-CG1 3.45Å; I8-V46 VanDerWaalsContact CD1-CG1 3.45Å; I8-V46 HydrophobicContact CD1-CG2 4.31Å; I8-V46 HydrophobicContact CG1-CG1 3.82Å; F21-V46 HydrophobicContact CD1-CG1 4.25Å; F21-V46 HydrophobicContact CE1-CB 3.75Å; F21-V46 HydrophobicContact CE1-CG1 3.53Å; F21-V46 HydrophobicContact CE1-CG2 3.99Å; F21-V46 HydrophobicContact CZ-CB 4.39Å; F21-V46 HydrophobicContact CZ-CG1 3.9Å; F21-V46 HydrophobicContact CZ-CG2 4.29Å; A39-V46 HydrophobicContact CB-CG2 3.66Å; V46-L48 HydrophobicContact CG1-CD2 3.83Å
47V96.1Very high93.9Very high72 Ų7259 Ų5944%0.43633%0.334SS..EExtended strand (participates in β ladder)trans-121.4118.5168.9176.80000108.4T5 L6 R7 I8T5-V47 HydrophobicContact CG2-CG2 3.63Å; L6-V47 PolarHBondContact O-N 2.87Å; R7-V47 CarbonylContact C-O 3.57Å; R7-V47 VanDerWaalsContact CA-O 3.29Å; R7-V47 WeakPolarHBondContact CA-O 3.34Å; R7-V47 HydrophobicContact CG-CB 4.48Å; I8-V47 PolarHBondContact N-O 2.9Å
48L96.6Very high93.6Very high46 Ų4658 Ų5824%0.24133%0.332CS..EExtended strand (participates in β ladder)trans-83.6136.1175-58.9-172.2000110.8I8 V10 P18 F21 V46I8-L48 HydrophobicContact CB-CD2 3.76Å; I8-L48 HydrophobicContact CD1-CD2 4.31Å; I8-L48 HydrophobicContact CG1-CD2 4.43Å; I8-L48 HydrophobicContact CG2-CD2 4.18Å; I8-L48 WeakPolarHBondContact O-CA 3.35Å; V10-L48 HydrophobicContact CG2-CD2 4.28Å; P18-L48 HydrophobicContact CB-CD1 3.56Å; P18-L48 VanDerWaalsContact O-CD1 3.28Å; P18-L48 WeakPolarHBondContact O-CD1 3.15Å; F21-L48 HydrophobicContact CB-CD1 3.53Å; F21-L48 HydrophobicContact CB-CG 4.44Å; F21-L48 HydrophobicContact CD1-CD1 4.44Å; F21-L48 HydrophobicContact CD1-CD2 4.38Å; F21-L48 HydrophobicContact CD2-CD1 4.21Å; F21-L48 HydrophobicContact CD2-CD2 4.19Å; F21-L48 HydrophobicContact CE2-CD2 4.36Å; F21-L48 HydrophobicContact CG-CD1 3.83Å; F21-L48 HydrophobicContact CG-CD2 4.21Å; F21-L48 HydrophobicContact CG-CG 4.32Å; V46-L48 HydrophobicContact CG1-CD2 3.83Å
49V96.9Very high93.2Very high42 Ų4260.8 Ų60.826%0.25535%0.35SS..EExtended strand (participates in β ladder)trans-122.3111.9176-172.50000108.1R7 I8 G9 V10 M72 I78R7-V49 HydrophobicContact CB-CG2 4.45Å; I8-V49 PolarHBondContact O-N 2.87Å; G9-V49 CarbonylContact C-O 3.5Å; G9-V49 VanDerWaalsContact CA-O 3.29Å; G9-V49 WeakPolarHBondContact CA-O 3.48Å; V10-V49 PolarHBondContact N-O 3.07Å; V49-M72 HydrophobicContact CB-CE 4.3Å; V49-M72 HydrophobicContact CG1-CE 3.57Å; V49-I78 HydrophobicContact CB-CG2 3.62Å; V49-I78 HydrophobicContact CG1-CG2 4.06Å; V49-I78 HydrophobicContact CG2-CG2 3.89Å
50I95.9Very high92.8Very high84 Ų8465.3 Ų65.343%0.43137%0.373SS..EExtended strand (participates in β ladder)trans-82.8127.9-175.9-48.6-50.9000109.9V10 P12 P18V10-I50 HydrophobicContact CB-CD1 3.95Å; V10-I50 HydrophobicContact CG2-CD1 4.47Å; V10-I50 WeakPolarHBondContact O-CA 3.35Å; P12-I50 HydrophobicContact CG-CG2 4.27Å; P18-I50 HydrophobicContact CB-CD1 3.56Å; P18-I50 HydrophobicContact CG-CD1 3.56Å
51A95.1Very high92.2Very high4 Ų464.7 Ų64.73%0.03337%0.373CS..  trans-77.5144.217700000111.2V10 P12 T53 L69 M72V10-A51 PolarHBondContact O-N 3.23Å; P12-A51 WeakPolarHBondContact CD-O 3.4Å; P12-A51 VanDerWaalsContact CG-O 3.29Å; P12-A51 WeakPolarHBondContact CG-O 3.48Å; A51-T53 PolarHBondContact O-N 3.31Å; A51-L69 HydrophobicContact CB-CD2 3.92Å; A51-M72 HydrophobicContact CB-SD 3.53Å; A51-M72 VanDerWaalsContact CB-SD 3.53Å
52N91.7Very high91.5Very high167 Ų16768.9 Ų68.989%0.89340%0.402SS*.SBendtrans-75.8-11.8174.2-67.9-16.9000113.1
53T90.6Very high90.6Very high73 Ų7371.3 Ų71.345%0.44842%0.419SS..SBendtrans-126.6148.2-175.755.40000109.9A51 A68A51-T53 PolarHBondContact O-N 3.31Å; T53-A68 VanDerWaalsContact OG1-CA 3.24Å; T53-A68 WeakPolarHBondContact OG1-CA 3.45Å; T53-A68 VanDerWaalsContact OG1-CB 3.28Å; T53-A68 WeakPolarHBondContact OG1-CB 3.48Å
54T87.2Confident90.1Very high107 Ų10765 Ų6566%0.65640%0.397SS*.  trans-83.7153.3-179.4590000112.3P12P12-T54 HydrophobicContact CB-CG2 4.35Å; P12-T54 VanDerWaalsContact O-CG2 3.31Å; P12-T54 WeakPolarHBondContact O-CG2 3.45Å
55G88Confident90Very high34 Ų3468 Ų6835%0.35141%0.414SS..SBendtrans84.3174.4174.900000115.6A68G55-A68 VanDerWaalsContact O-CB 3.27Å; G55-A68 WeakPolarHBondContact O-CB 3.18Å
56C92.4Very high90Very high20 Ų2064.9 Ų64.914%0.13539%0.391CS..SBendtrans-71.9-29-176.7-65.90000113.6L69 C70 C85C56-L69 PolarHBondContact O-N 3.01Å; C56-C70 WeakPolarHBondContact O-CB 3.38Å; C56-C70 PolarHBondContact O-N 3.43Å; C56-C70 PolarHBondContact O-SG 3.26Å; C56-C85 HydrophobicContact CB-CB 3.74Å; C56-C85 WeakPolarHBondContact CB-SG 3.15Å; C56-C85 WeakPolarHBondContact SG-CA 3.03Å; C56-C85 WeakPolarHBondContact SG-CB 3.45Å; C56-C85 CovalentContact SG-SG 2.02Å; C56-C85 PolarHBondContact SG-SG 3.27Å
57G90.8Very high89.9Confident12 Ų1265 Ų6512%0.12439%0.394CS..  trans113.4151.1-178.800000113.4S67 R91G57-S67 VanDerWaalsContact CA-O 3.25Å; G57-S67 WeakPolarHBondContact CA-O 3.41Å; G57-R91 PolarHBondContact O-NH2 2.81Å
58S88.7Confident89.8Confident40 Ų4062.1 Ų62.128%0.2838%0.377SS..  trans-124.5156.717366.90000110.7I60 W66 S67S58-I60 PolarHBondContact O-N 3.38Å; S58-W66 VanDerWaalsContact C-CE3 3.5Å; S58-S67 PolarHBondContact N-OG 3.12Å; S58-S67 PolarHBondContact O-N 2.78Å; S58-S67 PolarHBondContact O-OG 2.98Å; S58-S67 PolarHBondContact OG-OG 3.13Å
59P89.5Confident89.8Confident57 Ų5759.9 Ų59.937%0.3737%0.365SS..BIsolated β-bridgetrans-57.2130.8169.7-20.832.8000109.9W66P59-W66 HydrophobicContact CG-CD2 4.4Å; P59-W66 HydrophobicContact CG-CE3 4.31Å; P59-W66 HydrophobicContact CG-CH2 3.73Å; P59-W66 HydrophobicContact CG-CZ2 3.83Å; P59-W66 HydrophobicContact CG-CZ3 3.98Å
60I86.7Confident89.8Confident100 Ų10057.9 Ų57.951%0.51335%0.353SS..  trans-83.2-46177.7-60.9173.7000109.1S58 N65S58-I60 PolarHBondContact O-N 3.38Å; I60-N65 PolarHBondContact N-O 3.23Å
61N81.1Confident89.8Confident94 Ų9453.9 Ų53.950%0.50333%0.333SS..SBendtrans-139.7165.8-175-67.1-21000109.9T63 G64N61-T63 HydrophobicContact CB-CG2 4.25Å; N61-T63 PolarHBondContact O-N 3.25Å; N61-G64 PolarHBondContact O-N 3.23Å
62V80Confident89.9Confident160 Ų16054.3 Ų54.397%0.9733%0.334SS*.THydrogen-bonded Turntrans-59.5-12.7169.9-168.30000112.3G64V62-G64 PolarHBondContact O-N 2.57Å; V62-G64 VanDerWaalsContact O-N 3.16Å
63T76.4Confident90.1Very high98 Ų9846.5 Ų46.560%0.60129%0.292SS*.THydrogen-bonded Turntrans-71.5-1.3178.2650000114.2N61 N65N61-T63 HydrophobicContact CB-CG2 4.25Å; N61-T63 PolarHBondContact O-N 3.25Å; T63-N65 PolarHBondContact OG1-ND2 3.19Å
64G84.9Confident90.3Very high29 Ų2946.4 Ų46.430%0.29929%0.287SS..  trans79.614.5-17900000114.5N61 V62 Q74N61-G64 PolarHBondContact O-N 3.23Å; V62-G64 PolarHBondContact O-N 2.57Å; V62-G64 VanDerWaalsContact O-N 3.16Å; G64-Q74 PolarHBondContact O-NE2 3.23Å; G64-Q74 PolarHBondContact O-OE1 3.21Å
65N92.3Very high90.7Very high87 Ų8747.4 Ų47.447%0.46528%0.279SS..  trans-82.9135.8175.5-74.2-16.3000110.8I60 T63I60-N65 PolarHBondContact N-O 3.23Å; T63-N65 PolarHBondContact OG1-ND2 3.19Å
66W94Very high91Very high5 Ų549.5 Ų49.52%0.01928%0.282CS..BIsolated β-bridgetrans-107.8152.2178.5-70.472.5000113.3S58 P59 C70 G71 Q74 N90 R91 D94 F95S58-W66 VanDerWaalsContact C-CE3 3.5Å; P59-W66 HydrophobicContact CG-CD2 4.4Å; P59-W66 HydrophobicContact CG-CE3 4.31Å; P59-W66 HydrophobicContact CG-CH2 3.73Å; P59-W66 HydrophobicContact CG-CZ2 3.83Å; P59-W66 HydrophobicContact CG-CZ3 3.98Å; W66-C70 HydrophobicContact CB-CB 3.66Å; W66-C70 HydrophobicContact CD2-CB 3.94Å; W66-C70 HydrophobicContact CE3-CB 3.74Å; W66-C70 HydrophobicContact CG-CB 3.94Å; W66-G71 WeakPolarHBondContact O-CA 3.47Å; W66-Q74 VanDerWaalsContact CD1-CD 3.46Å; W66-N90 HydrophobicContact CH2-CB 4.15Å; W66-N90 HydrophobicContact CZ2-CB 4.25Å; W66-N90 WeakPolarHBondContact CZ2-O 3.34Å; W66-R91 HydrophobicContact CH2-CB 4.25Å; W66-R91 HydrophobicContact CH2-CG 3.36Å; W66-R91 HydrophobicContact CZ2-CG 4.28Å; W66-R91 HydrophobicContact CZ3-CG 3.58Å; W66-D94 PolarHBondContact NE1-OD2 3.38Å; W66-F95 HydrophobicContact CB-CZ 4.29Å; W66-F95 AromaticContact CD1-CE2 3.92Å; W66-F95 AromaticContact CD1-CZ 3.84Å; W66-F95 AromaticContact CD2-CE2 3.74Å; W66-F95 HydrophobicContact CD2-CE2 3.74Å; W66-F95 HydrophobicContact CD2-CZ 4.19Å; W66-F95 AromaticContact CE2-CE2 3.67Å; W66-F95 HydrophobicContact CE3-CE2 4.33Å; W66-F95 AromaticContact CG-CE2 3.88Å; W66-F95 HydrophobicContact CG-CE2 3.88Å; W66-F95 AromaticContact CG-CZ 3.83Å; W66-F95 HydrophobicContact CG-CZ 3.83Å; W66-F95 HydrophobicContact CZ2-CE2 4.21Å; W66-F95 AromaticContact NE1-CE2 3.75Å
67S93.2Very high91.2Very high35 Ų3552.4 Ų52.425%0.24529%0.293CS..  trans-90.7172.2170.155.20000111.9G57 S58 G71G57-S67 VanDerWaalsContact CA-O 3.25Å; G57-S67 WeakPolarHBondContact CA-O 3.41Å; S58-S67 PolarHBondContact N-OG 3.12Å; S58-S67 PolarHBondContact O-N 2.78Å; S58-S67 PolarHBondContact O-OG 2.98Å; S58-S67 PolarHBondContact OG-OG 3.13Å; S67-G71 PolarHBondContact O-N 2.81Å
68A94.3Very high91.5Very high10 Ų1051.8 Ų51.88%0.08329%0.287CS..Hα-helixtrans47.4-138.1175.100000114.4T53 G55 C70 G71 M72T53-A68 VanDerWaalsContact OG1-CA 3.24Å; T53-A68 WeakPolarHBondContact OG1-CA 3.45Å; T53-A68 VanDerWaalsContact OG1-CB 3.28Å; T53-A68 WeakPolarHBondContact OG1-CB 3.48Å; G55-A68 VanDerWaalsContact O-CB 3.27Å; G55-A68 WeakPolarHBondContact O-CB 3.18Å; A68-C70 PolarHBondContact O-N 2.76Å; A68-G71 WeakPolarHBondContact O-CA 3.16Å; A68-G71 PolarHBondContact O-N 3.26Å; A68-G71 VanDerWaalsContact O-N 3.09Å; A68-M72 WeakPolarHBondContact O-CG 3.47Å; A68-M72 PolarHBondContact O-N 2.74Å
69L96.6Very high91.8Very high0 Ų050.1 Ų50.10%028%0.275CS..Hα-helixtrans-61-42.9-173.7-65.2178.1000113.2G9 A11 A51 C56 G71 M72 L73 I78 T81 N83G9-L69 VanDerWaalsContact O-CD2 3.32Å; G9-L69 WeakPolarHBondContact O-CD2 3.35Å; A11-L69 HydrophobicContact CB-CD1 3.78Å; A11-L69 HydrophobicContact CB-CD2 4.31Å; A11-L69 HydrophobicContact CB-CG 3.98Å; A51-L69 HydrophobicContact CB-CD2 3.92Å; C56-L69 PolarHBondContact O-N 3.01Å; L69-G71 VanDerWaalsContact C-N 3.27Å; L69-G71 PolarHBondContact O-N 3Å; L69-M72 HydrophobicContact CD2-SD 3.98Å; L69-M72 WeakPolarHBondContact O-CA 3.45Å; L69-M72 WeakPolarHBondContact O-CB 3.29Å; L69-M72 PolarHBondContact O-N 3.42Å; L69-L73 PolarHBondContact O-N 3.18Å; L69-I78 HydrophobicContact CD2-CD1 4.22Å; L69-T81 HydrophobicContact CB-CG2 3.9Å; L69-T81 HydrophobicContact CD1-CG2 4.19Å; L69-N83 HydrophobicContact CD1-CB 4.04Å; L69-N83 WeakPolarHBondContact CD1-OD1 3.25Å
70C96.5Very high92.2Very high0 Ų047.4 Ų47.40%026%0.257CS..Hα-helixtrans-57.9-41.2173.5-74.80000111.4C56 W66 A68 M72 L73 Q74 F95C56-C70 WeakPolarHBondContact O-CB 3.38Å; C56-C70 PolarHBondContact O-N 3.43Å; C56-C70 PolarHBondContact O-SG 3.26Å; W66-C70 HydrophobicContact CB-CB 3.66Å; W66-C70 HydrophobicContact CD2-CB 3.94Å; W66-C70 HydrophobicContact CE3-CB 3.74Å; W66-C70 HydrophobicContact CG-CB 3.94Å; A68-C70 PolarHBondContact O-N 2.76Å; C70-M72 VanDerWaalsContact C-N 3.34Å; C70-M72 PolarHBondContact O-N 2.85Å; C70-L73 WeakPolarHBondContact O-CB 3.18Å; C70-L73 PolarHBondContact O-N 3.03Å; C70-Q74 WeakPolarHBondContact O-CG 3.39Å; C70-Q74 PolarHBondContact O-N 3.22Å; C70-F95 HydrophobicContact CB-CD2 4.47Å; C70-F95 HydrophobicContact CB-CE1 4.29Å; C70-F95 HydrophobicContact CB-CE2 3.62Å; C70-F95 HydrophobicContact CB-CZ 3.51Å; C70-F95 VanDerWaalsContact O-CE1 3.29Å; C70-F95 WeakPolarHBondContact O-CE1 3.44Å; C70-F95 VanDerWaalsContact O-CZ 3.31Å; C70-F95 WeakPolarHBondContact O-CZ 3.11Å
71G95.9Very high92.7Very high0 Ų042.6 Ų42.60%023%0.233CC..Hα-helixtrans-62.1-40.3173.100000112.9W66 S67 A68 L69 L73 Q74 R75W66-G71 WeakPolarHBondContact O-CA 3.47Å; S67-G71 PolarHBondContact O-N 2.81Å; A68-G71 WeakPolarHBondContact O-CA 3.16Å; A68-G71 PolarHBondContact O-N 3.26Å; A68-G71 VanDerWaalsContact O-N 3.09Å; L69-G71 VanDerWaalsContact C-N 3.27Å; L69-G71 PolarHBondContact O-N 3Å; G71-L73 VanDerWaalsContact C-N 3.33Å; G71-Q74 PolarHBondContact O-N 2.83Å; G71-R75 WeakPolarHBondContact O-CG 3.42Å; G71-R75 PolarHBondContact O-N 2.76Å; G71-R75 PolarHBondContact O-NH1 3.03Å; G71-R75 VanDerWaalsContact O-NH1 3.17Å
72M97.2Very high93.4Very high13 Ų1338.1 Ų38.16%0.06421%0.209CC..Hα-helixtrans-65-37176.4-61.8175.470.900111.7V49 A51 A68 L69 C70 R75 N76 E77 I78V49-M72 HydrophobicContact CB-CE 4.3Å; V49-M72 HydrophobicContact CG1-CE 3.57Å; A51-M72 HydrophobicContact CB-SD 3.53Å; A51-M72 VanDerWaalsContact CB-SD 3.53Å; A68-M72 WeakPolarHBondContact O-CG 3.47Å; A68-M72 PolarHBondContact O-N 2.74Å; L69-M72 HydrophobicContact CD2-SD 3.98Å; L69-M72 WeakPolarHBondContact O-CA 3.45Å; L69-M72 WeakPolarHBondContact O-CB 3.29Å; L69-M72 PolarHBondContact O-N 3.42Å; C70-M72 VanDerWaalsContact C-N 3.34Å; C70-M72 PolarHBondContact O-N 2.85Å; M72-R75 PolarHBondContact O-N 3.5Å; M72-N76 PolarHBondContact O-N 3.47Å; M72-E77 HydrophobicContact CB-CB 4.16Å; M72-E77 VanDerWaalsContact CG-OE2 3.29Å; M72-E77 WeakPolarHBondContact CG-OE2 3.25Å; M72-E77 PolarHBondContact O-N 3.07Å; M72-I78 HydrophobicContact CB-CD1 3.67Å; M72-I78 HydrophobicContact CB-CG1 3.74Å; M72-I78 HydrophobicContact CE-CG2 3.81Å
73L96.8Very high94.2Very high2 Ų230.8 Ų30.81%0.0116%0.164CC..Hα-helixtrans-61.6-47.8171.8-73.5172.5000111.4L69 C70 G71 R75 N76 I78 D79 T81 F95 L323L69-L73 PolarHBondContact O-N 3.18Å; C70-L73 WeakPolarHBondContact O-CB 3.18Å; C70-L73 PolarHBondContact O-N 3.03Å; G71-L73 VanDerWaalsContact C-N 3.33Å; L73-R75 VanDerWaalsContact C-N 3.3Å; L73-R75 PolarHBondContact O-N 2.59Å; L73-N76 PolarHBondContact O-N 2.87Å; L73-I78 HydrophobicContact CD2-CD1 4.15Å; L73-I78 HydrophobicContact CD2-CG1 3.8Å; L73-I78 HydrophobicContact CG-CD1 4.04Å; L73-I78 HydrophobicContact CG-CG1 4.03Å; L73-D79 WeakPolarHBondContact CD2-O 3.46Å; L73-T81 HydrophobicContact CD1-CG2 3.91Å; L73-T81 HydrophobicContact CG-CG2 4.5Å; L73-F95 HydrophobicContact CB-CD1 3.95Å; L73-F95 HydrophobicContact CB-CE1 3.72Å; L73-F95 HydrophobicContact CD1-CD1 3.82Å; L73-F95 HydrophobicContact CD1-CE1 4.21Å; L73-F95 HydrophobicContact CD1-CG 4.44Å; L73-L323 HydrophobicContact CD1-CB 3.88Å
74Q94.5Very high95Very high71 Ų7126.7 Ų26.733%0.33214%0.139SC..Hα-helixtrans-61.7-37.8178.4-69.4-170.9-45.400112.7G64 W66 C70 G71 N76 F95G64-Q74 PolarHBondContact O-NE2 3.23Å; G64-Q74 PolarHBondContact O-OE1 3.21Å; W66-Q74 VanDerWaalsContact CD1-CD 3.46Å; C70-Q74 WeakPolarHBondContact O-CG 3.39Å; C70-Q74 PolarHBondContact O-N 3.22Å; G71-Q74 PolarHBondContact O-N 2.83Å; Q74-N76 PolarHBondContact O-N 3.47Å; Q74-F95 HydrophobicContact CG-CE1 3.56Å; Q74-F95 HydrophobicContact CG-CZ 3.59Å
75R94.7Very high95.5Very high129 Ų12925.4 Ų25.449%0.48713%0.125SC..THydrogen-bonded Turntrans-79.62.8177.1-64.6-172.6-54-83.1-5.8113.6G71 M72 L73 E77G71-R75 WeakPolarHBondContact O-CG 3.42Å; G71-R75 PolarHBondContact O-N 2.76Å; G71-R75 PolarHBondContact O-NH1 3.03Å; G71-R75 VanDerWaalsContact O-NH1 3.17Å; M72-R75 PolarHBondContact O-N 3.5Å; L73-R75 VanDerWaalsContact C-N 3.3Å; L73-R75 PolarHBondContact O-N 2.59Å; R75-E77 HydrophobicContact CB-CG 4.02Å; R75-E77 IonicContact CZ-OE1 2.89Å; R75-E77 IonicContact CZ-OE2 2.74Å; R75-E77 IonicContact NE-OE1 3.62Å; R75-E77 PolarHBondContact NE-OE1 2.88Å; R75-E77 IonicContact NE-OE2 3.95Å; R75-E77 IonicContact NH2-OE1 2.74Å; R75-E77 IonicContact NH2-OE2 3.54Å; R75-E77 PolarHBondContact NH2-OE2 2.86Å; R75-E77 PolarHBondContact O-N 3.29Å
76N94.7Very high95.5Very high78 Ų7822.1 Ų22.142%0.41711%0.112SC..THydrogen-bonded Turntrans56.428.1-176.1-70.4-70.7000114.1R7 M72 L73 Q74 R325R7-N76 PolarHBondContact NH1-O 3.49Å; R7-N76 PolarHBondContact NH2-O 3.22Å; R7-N76 VanDerWaalsContact NH2-O 3.07Å; M72-N76 PolarHBondContact O-N 3.47Å; L73-N76 PolarHBondContact O-N 2.87Å; Q74-N76 PolarHBondContact O-N 3.47Å; N76-R325 WeakPolarHBondContact OD1-CD 3.35Å; N76-R325 PolarHBondContact OD1-NH1 3.21Å
77E95.9Very high95.4Very high80 Ų8024 Ų2437%0.37412%0.122SC..SBendtrans-75.1-32.2176.7-69.1167.3-173.400111.1R7 M72 R75R7-E77 PolarHBondContact NH1-O 3.41Å; M72-E77 HydrophobicContact CB-CB 4.16Å; M72-E77 VanDerWaalsContact CG-OE2 3.29Å; M72-E77 WeakPolarHBondContact CG-OE2 3.25Å; M72-E77 PolarHBondContact O-N 3.07Å; R75-E77 HydrophobicContact CB-CG 4.02Å; R75-E77 IonicContact CZ-OE1 2.89Å; R75-E77 IonicContact CZ-OE2 2.74Å; R75-E77 IonicContact NE-OE1 3.62Å; R75-E77 PolarHBondContact NE-OE1 2.88Å; R75-E77 IonicContact NE-OE2 3.95Å; R75-E77 IonicContact NH2-OE1 2.74Å; R75-E77 IonicContact NH2-OE2 3.54Å; R75-E77 PolarHBondContact NH2-OE2 2.86Å; R75-E77 PolarHBondContact O-N 3.29Å
78I96.7Very high95.1Very high0 Ų026.5 Ų26.50%013%0.13CC..  trans-131160.7179.560.3176.1000109.8V49 L69 M72 L73V49-I78 HydrophobicContact CB-CG2 3.62Å; V49-I78 HydrophobicContact CG1-CG2 4.06Å; V49-I78 HydrophobicContact CG2-CG2 3.89Å; L69-I78 HydrophobicContact CD2-CD1 4.22Å; M72-I78 HydrophobicContact CB-CD1 3.67Å; M72-I78 HydrophobicContact CB-CG1 3.74Å; M72-I78 HydrophobicContact CE-CG2 3.81Å; L73-I78 HydrophobicContact CD2-CD1 4.15Å; L73-I78 HydrophobicContact CD2-CG1 3.8Å; L73-I78 HydrophobicContact CG-CD1 4.04Å; L73-I78 HydrophobicContact CG-CG1 4.03Å
79D96.3Very high94.7Very high4 Ų433 Ų332%0.02116%0.159CC..SBendtrans-99.8-36177.9-59.6-53.7000111.6L6 R7 L73 W324 R325 F328L6-D79 HydrophobicContact CD1-CB 3.97Å; R7-D79 VanDerWaalsContact CB-OD2 3.27Å; R7-D79 WeakPolarHBondContact CB-OD2 3.35Å; R7-D79 WeakPolarHBondContact CG-OD2 3.46Å; R7-D79 IonicContact CZ-OD1 3.57Å; R7-D79 IonicContact CZ-OD2 3.51Å; R7-D79 PolarHBondContact N-OD2 3.34Å; R7-D79 IonicContact NE-OD1 3.5Å; R7-D79 IonicContact NE-OD2 3.02Å; R7-D79 PolarHBondContact NE-OD2 2.81Å; R7-D79 IonicContact NH2-OD1 3.61Å; R7-D79 PolarHBondContact NH2-OD1 3.45Å; R7-D79 IonicContact NH2-OD2 3.25Å; R7-D79 PolarHBondContact O-N 3.18Å; L73-D79 WeakPolarHBondContact CD2-O 3.46Å; D79-W324 WeakPolarHBondContact O-CA 3.38Å; D79-W324 WeakPolarHBondContact O-CB 2.98Å; D79-R325 IonicContact OD1-CZ 2.9Å; D79-F328 HydrophobicContact CB-CE2 4.1Å
80I97.1Very high94.3Very high0 Ų035.8 Ų35.80%017%0.174CC..EExtended strand (participates in β ladder)trans-141.5154-180-169172000110.8L6 R7 I8 G9 L35 Y322 L323 W324 F334L6-I80 HydrophobicContact CD1-CG2 4Å; L6-I80 HydrophobicContact CD2-CG2 4.11Å; L6-I80 HydrophobicContact CG-CG2 4.08Å; R7-I80 PolarHBondContact O-N 3.06Å; I8-I80 WeakPolarHBondContact CA-O 3.4Å; I8-I80 HydrophobicContact CB-CG2 4.25Å; I8-I80 HydrophobicContact CG1-CG2 3.71Å; I8-I80 HydrophobicContact CG2-CG2 4.37Å; G9-I80 PolarHBondContact N-O 2.89Å; L35-I80 HydrophobicContact CD2-CD1 4.34Å; I80-Y322 HydrophobicContact CD1-CG 4.3Å; I80-L323 CarbonylContact C-O 3.49Å; I80-L323 VanDerWaalsContact CA-O 3.31Å; I80-L323 WeakPolarHBondContact CA-O 3.42Å; I80-L323 WeakPolarHBondContact CG1-O 3.27Å; I80-W324 HydrophobicContact CD1-CE3 3.67Å; I80-W324 HydrophobicContact CD1-CZ3 3.99Å; I80-W324 HydrophobicContact CG1-CE3 3.98Å; I80-F334 HydrophobicContact CD1-CD1 4.27Å; I80-F334 HydrophobicContact CD1-CD2 4.41Å; I80-F334 HydrophobicContact CD1-CE1 3.66Å; I80-F334 HydrophobicContact CD1-CE2 3.82Å; I80-F334 HydrophobicContact CD1-CZ 3.41Å; I80-F334 VanDerWaalsContact CD1-CZ 3.41Å
81T97.6Very high94.1Very high0 Ų037 Ų370%018%0.178CC..EExtended strand (participates in β ladder)trans-76.7143.2169.763.70000111.7L69 L73 N83 Y322 L323L69-T81 HydrophobicContact CB-CG2 3.9Å; L69-T81 HydrophobicContact CD1-CG2 4.19Å; L73-T81 HydrophobicContact CD1-CG2 3.91Å; L73-T81 HydrophobicContact CG-CG2 4.5Å; T81-N83 WeakPolarHBondContact CB-O 3.39Å; T81-N83 PolarHBondContact OG1-O 3.34Å; T81-Y322 WeakPolarHBondContact O-CD1 3.41Å; T81-L323 HydrophobicContact CG2-CB 3.9Å; T81-L323 PolarHBondContact N-O 2.98Å; T81-L323 PolarHBondContact OG1-N 2.76Å
82G96.5Very high93.9Very high0 Ų039.5 Ų39.50%019%0.194CC..SBendtrans-82.4-30.6170.500000112.5G9 E31 Y322G9-G82 WeakPolarHBondContact O-CA 3.44Å; G9-G82 PolarHBondContact O-N 2.83Å; E31-G82 WeakPolarHBondContact CB-O 3.37Å; G82-Y322 WeakPolarHBondContact O-CE1 3.09Å
83N95.2Very high93.7Very high5 Ų544.1 Ų44.13%0.02722%0.215CC..SBendtrans-86.6145.4172.4-57.186.7000110.3A11 E31 L69 T81A11-N83 WeakPolarHBondContact CA-OD1 3.28Å; A11-N83 WeakPolarHBondContact CB-OD1 3.47Å; A11-N83 PolarHBondContact N-OD1 3.49Å; E31-N83 VanDerWaalsContact OE2-CA 3.29Å; E31-N83 WeakPolarHBondContact OE2-CA 3.47Å; E31-N83 WeakPolarHBondContact OE2-CB 3.39Å; E31-N83 PolarHBondContact OE2-ND2 3.27Å; L69-N83 HydrophobicContact CD1-CB 4.04Å; L69-N83 WeakPolarHBondContact CD1-OD1 3.25Å; T81-N83 WeakPolarHBondContact CB-O 3.39Å; T81-N83 PolarHBondContact OG1-O 3.34Å
84V94.8Very high93.5Very high12 Ų1247.2 Ų47.27%0.07323%0.231CC..  trans-81.1142.8167.6-61.40000109.1E31 V101 W102 L320 Y322E31-V84 HydrophobicContact CG-CG2 4.33Å; E31-V84 WeakPolarHBondContact OE1-CG2 3.36Å; E31-V84 PolarHBondContact OE1-N 2.83Å; V84-V101 HydrophobicContact CG1-CB 4.03Å; V84-V101 HydrophobicContact CG1-CG1 4.38Å; V84-V101 HydrophobicContact CG1-CG2 3.79Å; V84-W102 HydrophobicContact CB-CZ3 4.3Å; V84-W102 HydrophobicContact CG1-CE3 4.22Å; V84-W102 HydrophobicContact CG1-CZ3 3.73Å; V84-W102 HydrophobicContact CG2-CE3 3.72Å; V84-W102 HydrophobicContact CG2-CZ3 3.57Å; V84-L320 HydrophobicContact CB-CB 3.97Å; V84-L320 HydrophobicContact CG2-CB 3.7Å; V84-L320 HydrophobicContact CG2-CD1 3.86Å; V84-L320 HydrophobicContact CG2-CG 4.34Å; V84-Y322 HydrophobicContact CG1-CD1 3.91Å; V84-Y322 HydrophobicContact CG1-CD2 4.49Å; V84-Y322 HydrophobicContact CG1-CE1 3.52Å; V84-Y322 HydrophobicContact CG1-CE2 4.15Å; V84-Y322 HydrophobicContact CG1-CG 4.38Å
85C94.6Very high93.6Very high2 Ų244.1 Ų44.11%0.01422%0.217CC..EExtended strand (participates in β ladder)trans-124.6142.9-173.6-60.40000109.7C56 L87 L320 S321 L323C56-C85 HydrophobicContact CB-CB 3.74Å; C56-C85 WeakPolarHBondContact CB-SG 3.15Å; C56-C85 WeakPolarHBondContact SG-CA 3.03Å; C56-C85 WeakPolarHBondContact SG-CB 3.45Å; C56-C85 CovalentContact SG-SG 2.02Å; C56-C85 PolarHBondContact SG-SG 3.27Å; C85-L87 PolarHBondContact O-N 2.03Å; C85-L320 WeakPolarHBondContact O-CA 3.43Å; C85-S321 PolarHBondContact N-O 2.97Å; C85-S321 PolarHBondContact O-N 2.94Å; C85-L323 HydrophobicContact CB-CD1 3.59Å; C85-L323 HydrophobicContact CB-CD2 4.49Å; C85-L323 HydrophobicContact CB-CG 3.85Å
86G92.4Very high93.7Very high19 Ų1938.5 Ų38.520%0.19620%0.2CC..EExtended strand (participates in β ladder)trans-62.9134.6170.500000110.8E88 R91G86-E88 PolarHBondContact O-N 2.9Å; G86-E88 VanDerWaalsContact O-N 3.09Å; G86-R91 PolarHBondContact O-NH1 3.14Å
87L91.4Very high93.8Very high43 Ų4339 Ų3923%0.22520%0.198CC..  trans-78.988.5174.8-61.2-174.8000110.6C85 V92 F97 P319 S321 L323C85-L87 PolarHBondContact O-N 2.03Å; L87-V92 HydrophobicContact CB-CG1 4.18Å; L87-V92 HydrophobicContact CD2-CG1 4.19Å; L87-F97 HydrophobicContact CD1-CD2 3.74Å; L87-F97 HydrophobicContact CD1-CE2 4.1Å; L87-F97 HydrophobicContact CD1-CG 4.23Å; L87-F97 HydrophobicContact CD2-CB 3.65Å; L87-F97 HydrophobicContact CD2-CD2 4.25Å; L87-F97 HydrophobicContact CD2-CG 3.92Å; L87-P319 HydrophobicContact CB-CG 4.13Å; L87-P319 HydrophobicContact CD1-CB 4.28Å; L87-P319 HydrophobicContact CD1-CG 3.94Å; L87-P319 HydrophobicContact CG-CG 4.22Å; L87-P319 PolarHBondContact N-O 3.05Å; L87-S321 WeakPolarHBondContact CD1-OG 3.46Å; L87-L323 HydrophobicContact CD2-CD2 3.89Å
88E86.7Confident93.8Very high88 Ų8835.2 Ų35.241%0.41118%0.181SC..  trans-86.9150.5169.7-68.1166.1-144.900110.2G86 N90 R91 V92G86-E88 PolarHBondContact O-N 2.9Å; G86-E88 VanDerWaalsContact O-N 3.09Å; E88-N90 VanDerWaalsContact C-N 3.3Å; E88-N90 WeakPolarHBondContact CB-OD1 3.45Å; E88-N90 PolarHBondContact O-N 2.79Å; E88-R91 HydrophobicContact CB-CG 4.43Å; E88-R91 VanDerWaalsContact CD-CZ 3.47Å; E88-R91 PolarHBondContact O-N 3.48Å; E88-R91 IonicContact OE1-CZ 2.73Å; E88-R91 IonicContact OE1-NH1 3.45Å; E88-R91 PolarHBondContact OE1-NH1 3.12Å; E88-R91 IonicContact OE1-NH2 3.86Å; E88-R91 PolarHBondContact OE1-NH2 3.33Å; E88-R91 IonicContact OE2-CZ 2.74Å; E88-R91 IonicContact OE2-NH1 3.51Å; E88-R91 IonicContact OE2-NH2 3.54Å; E88-R91 PolarHBondContact OE2-NH2 2.94Å; E88-V92 PolarHBondContact O-N 2.84Å; E88-V92 VanDerWaalsContact O-N 3.14Å
89Q86.9Confident93.7Very high148 Ų14842.4 Ų42.469%0.69221%0.208SC*.Hα-helixtrans-55.8-43.3-176.1-175.9176-10.400112.8R91 V92 E93Q89-R91 VanDerWaalsContact C-N 3.31Å; Q89-R91 PolarHBondContact O-N 2.91Å; Q89-V92 WeakPolarHBondContact O-CG2 3.5Å; Q89-V92 PolarHBondContact O-N 2.87Å; Q89-E93 PolarHBondContact NE2-OE1 3.03Å; Q89-E93 WeakPolarHBondContact O-CG 3.31Å; Q89-E93 PolarHBondContact O-N 2.95Å
90N88.1Confident93.7Very high57 Ų5743.5 Ų43.531%0.30522%0.215SC..Hα-helixtrans-62.6-33.4176.258.1-1000113.2W66 E88W66-N90 HydrophobicContact CH2-CB 4.15Å; W66-N90 HydrophobicContact CZ2-CB 4.25Å; W66-N90 WeakPolarHBondContact CZ2-O 3.34Å; E88-N90 VanDerWaalsContact C-N 3.3Å; E88-N90 WeakPolarHBondContact CB-OD1 3.45Å; E88-N90 PolarHBondContact O-N 2.79Å
91R91.4Very high93.6Very high26 Ų2643.5 Ų43.510%0.09822%0.215CC..Hα-helixtrans-73.7-42.7179.6-72.1-171.3-171.1116.817.9111.4G57 W66 G86 E88 Q89 E93 D94 F95G57-R91 PolarHBondContact O-NH2 2.81Å; W66-R91 HydrophobicContact CH2-CB 4.25Å; W66-R91 HydrophobicContact CH2-CG 3.36Å; W66-R91 HydrophobicContact CZ2-CG 4.28Å; W66-R91 HydrophobicContact CZ3-CG 3.58Å; G86-R91 PolarHBondContact O-NH1 3.14Å; E88-R91 HydrophobicContact CB-CG 4.43Å; E88-R91 VanDerWaalsContact CD-CZ 3.47Å; E88-R91 PolarHBondContact O-N 3.48Å; E88-R91 IonicContact OE1-CZ 2.73Å; E88-R91 IonicContact OE1-NH1 3.45Å; E88-R91 PolarHBondContact OE1-NH1 3.12Å; E88-R91 IonicContact OE1-NH2 3.86Å; E88-R91 PolarHBondContact OE1-NH2 3.33Å; E88-R91 IonicContact OE2-CZ 2.74Å; E88-R91 IonicContact OE2-NH1 3.51Å; E88-R91 IonicContact OE2-NH2 3.54Å; E88-R91 PolarHBondContact OE2-NH2 2.94Å; Q89-R91 VanDerWaalsContact C-N 3.31Å; Q89-R91 PolarHBondContact O-N 2.91Å; R91-E93 PolarHBondContact O-N 3.31Å; R91-D94 PolarHBondContact O-N 3.05Å; R91-D94 VanDerWaalsContact O-N 3.17Å; R91-F95 WeakPolarHBondContact O-CD2 3.44Å; R91-F95 PolarHBondContact O-N 2.88Å
92V92.4Very high93.3Very high53 Ų5343.6 Ų43.632%0.32122%0.215SC..Hα-helixtrans-69.1-22.9-179.8-60.10000112.5L87 E88 Q89 F97L87-V92 HydrophobicContact CB-CG1 4.18Å; L87-V92 HydrophobicContact CD2-CG1 4.19Å; E88-V92 PolarHBondContact O-N 2.84Å; E88-V92 VanDerWaalsContact O-N 3.14Å; Q89-V92 WeakPolarHBondContact O-CG2 3.5Å; Q89-V92 PolarHBondContact O-N 2.87Å; V92-F97 HydrophobicContact CB-CD1 4.29Å; V92-F97 HydrophobicContact CB-CE1 4.14Å; V92-F97 HydrophobicContact CG1-CD1 3.89Å; V92-F97 HydrophobicContact CG1-CE1 3.95Å
93E92.6Very high93.1Very high110 Ų11048.1 Ų48.151%0.51424%0.236SC..Hα-helixtrans-70.2-31.9172.9-75.5174.4-165.300112.4Q89 R91 K326Q89-E93 PolarHBondContact NE2-OE1 3.03Å; Q89-E93 WeakPolarHBondContact O-CG 3.31Å; Q89-E93 PolarHBondContact O-N 2.95Å; R91-E93 PolarHBondContact O-N 3.31Å; E93-K326 WeakPolarHBondContact O-CE 3.3Å; E93-K326 PolarHBondContact O-NZ 2.89Å
94D93Very high92.9Very high66 Ų6648.4 Ų48.435%0.35324%0.238SC..Hα-helixtrans-103.9-25-174.2-75.4-24.8000114.3W66 R91 K326W66-D94 PolarHBondContact NE1-OD2 3.38Å; R91-D94 PolarHBondContact O-N 3.05Å; R91-D94 VanDerWaalsContact O-N 3.17Å; D94-K326 WeakPolarHBondContact O-CE 3.29Å
95F96.3Very high92.7Very high6 Ų652.1 Ų52.13%0.02626%0.255CS..SBendtrans-126.4154.5-173.7-55.8-76.1000112.4W66 C70 L73 Q74 R91W66-F95 HydrophobicContact CB-CZ 4.29Å; W66-F95 AromaticContact CD1-CE2 3.92Å; W66-F95 AromaticContact CD1-CZ 3.84Å; W66-F95 AromaticContact CD2-CE2 3.74Å; W66-F95 HydrophobicContact CD2-CE2 3.74Å; W66-F95 HydrophobicContact CD2-CZ 4.19Å; W66-F95 AromaticContact CE2-CE2 3.67Å; W66-F95 HydrophobicContact CE3-CE2 4.33Å; W66-F95 AromaticContact CG-CE2 3.88Å; W66-F95 HydrophobicContact CG-CE2 3.88Å; W66-F95 AromaticContact CG-CZ 3.83Å; W66-F95 HydrophobicContact CG-CZ 3.83Å; W66-F95 HydrophobicContact CZ2-CE2 4.21Å; W66-F95 AromaticContact NE1-CE2 3.75Å; C70-F95 HydrophobicContact CB-CD2 4.47Å; C70-F95 HydrophobicContact CB-CE1 4.29Å; C70-F95 HydrophobicContact CB-CE2 3.62Å; C70-F95 HydrophobicContact CB-CZ 3.51Å; C70-F95 VanDerWaalsContact O-CE1 3.29Å; C70-F95 WeakPolarHBondContact O-CE1 3.44Å; C70-F95 VanDerWaalsContact O-CZ 3.31Å; C70-F95 WeakPolarHBondContact O-CZ 3.11Å; L73-F95 HydrophobicContact CB-CD1 3.95Å; L73-F95 HydrophobicContact CB-CE1 3.72Å; L73-F95 HydrophobicContact CD1-CD1 3.82Å; L73-F95 HydrophobicContact CD1-CE1 4.21Å; L73-F95 HydrophobicContact CD1-CG 4.44Å; Q74-F95 HydrophobicContact CG-CE1 3.56Å; Q74-F95 HydrophobicContact CG-CZ 3.59Å; R91-F95 WeakPolarHBondContact O-CD2 3.44Å; R91-F95 PolarHBondContact O-N 2.88Å
96G96.4Very high92.7Very high12 Ų1253.2 Ų53.212%0.12426%0.259CS..EExtended strand (participates in β ladder)trans-79.6159.7162.100000110.1L323 W324G96-L323 WeakPolarHBondContact O-CA 3.38Å; G96-W324 PolarHBondContact N-O 3.38Å; G96-W324 PolarHBondContact O-N 3.29Å
97F96.6Very high92.7Very high88 Ų8852.3 Ų52.339%0.38625%0.25SS..EExtended strand (participates in β ladder)trans-142.8152.6-17758.3-88.7000111.5L87 V92 Y322 L323 W324L87-F97 HydrophobicContact CD1-CD2 3.74Å; L87-F97 HydrophobicContact CD1-CE2 4.1Å; L87-F97 HydrophobicContact CD1-CG 4.23Å; L87-F97 HydrophobicContact CD2-CB 3.65Å; L87-F97 HydrophobicContact CD2-CD2 4.25Å; L87-F97 HydrophobicContact CD2-CG 3.92Å; V92-F97 HydrophobicContact CB-CD1 4.29Å; V92-F97 HydrophobicContact CB-CE1 4.14Å; V92-F97 HydrophobicContact CG1-CD1 3.89Å; V92-F97 HydrophobicContact CG1-CE1 3.95Å; F97-Y322 CarbonylContact C-O 3.52Å; F97-Y322 WeakPolarHBondContact CA-O 3.39Å; F97-L323 HydrophobicContact CB-CD2 3.86Å; F97-W324 WeakPolarHBondContact O-CZ2 3.38Å
98S96.9Very high92.9Very high1 Ų150.2 Ų50.21%0.00724%0.239CC..PPolyproline II helixtrans-76.6163.9176.280.20000113.1S321 Y322 W324 N335S98-S321 WeakPolarHBondContact O-CB 3.29Å; S98-S321 PolarHBondContact O-OG 3.35Å; S98-Y322 PolarHBondContact N-O 2.9Å; S98-Y322 PolarHBondContact OG-N 3.2Å; S98-W324 VanDerWaalsContact CB-CH2 3.44Å; S98-N335 VanDerWaalsContact CA-OD1 3.26Å; S98-N335 WeakPolarHBondContact CA-OD1 3.48Å
99W95.1Very high93.3Very high150 Ų15046 Ų4657%0.56822%0.22SC*.SBendtrans-52137.4159.8-164.7-101.8000108.8V101 N335 I339W99-V101 PolarHBondContact O-N 3.27Å; W99-N335 PolarHBondContact N-OD1 2.86Å; W99-I339 HydrophobicContact CB-CG1 4.41Å; W99-I339 HydrophobicContact CD2-CD1 4.49Å; W99-I339 HydrophobicContact CD2-CG1 4.44Å; W99-I339 HydrophobicContact CG-CD1 4.44Å; W99-I339 HydrophobicContact CG-CG1 4.02Å
100P94.7Very high93.7Very high27 Ų2739.2 Ų39.218%0.17519%0.188CC..PPolyproline II helixtrans-52.6129.3-176.5-29.736000112.1P319 S321 K345P100-P319 HydrophobicContact CB-CB 3.81Å; P100-P319 HydrophobicContact CG-CB 3.73Å; P100-S321 WeakPolarHBondContact CA-OG 3.48Å; P100-K345 PolarHBondContact O-NZ 3.01Å
101V94.9Very high94.1Very high0 Ų040.7 Ų40.70%019%0.189CC..SBendtrans-78.4-48.6176.9-172.30000109V34 V84 W99 L320 Y322 K345V34-V101 HydrophobicContact CG1-CG1 4.22Å; V34-V101 HydrophobicContact CG2-CG1 4.34Å; V84-V101 HydrophobicContact CG1-CB 4.03Å; V84-V101 HydrophobicContact CG1-CG1 4.38Å; V84-V101 HydrophobicContact CG1-CG2 3.79Å; W99-V101 PolarHBondContact O-N 3.27Å; V101-L320 PolarHBondContact N-O 3.4Å; V101-Y322 HydrophobicContact CG2-CD2 3.67Å; V101-Y322 HydrophobicContact CG2-CE2 3.4Å; V101-K345 HydrophobicContact CG1-CB 4.34Å; V101-K345 HydrophobicContact CG1-CD 4.33Å; V101-K345 VanDerWaalsContact O-CD 3.25Å; V101-K345 WeakPolarHBondContact O-CD 3.47Å; V101-K345 WeakPolarHBondContact O-CE 3.15Å; V101-K345 WeakPolarHBondContact O-CG 3.31Å
102W92.5Very high94.1Very high2 Ų239.9 Ų39.91%0.00819%0.188CC..EExtended strand (participates in β ladder)trans-138.7163176.7-57.6-64.7000111.1Y30 E31 V34 V84 L320 K345 L349Y30-W102 AromaticContact CD2-CH2 3.55Å; Y30-W102 HydrophobicContact CD2-CH2 3.55Å; Y30-W102 HydrophobicContact CD2-CZ2 4.18Å; Y30-W102 AromaticContact CD2-CZ3 3.85Å; Y30-W102 HydrophobicContact CD2-CZ3 3.85Å; Y30-W102 HydrophobicContact CE2-CH2 4.28Å; Y30-W102 HydrophobicContact CE2-CZ3 4.11Å; E31-W102 HydrophobicContact CG-CH2 4.35Å; E31-W102 HydrophobicContact CG-CZ3 4.1Å; V34-W102 HydrophobicContact CG2-CH2 4.21Å; V34-W102 HydrophobicContact CG2-CZ2 3.91Å; V84-W102 HydrophobicContact CB-CZ3 4.3Å; V84-W102 HydrophobicContact CG1-CE3 4.22Å; V84-W102 HydrophobicContact CG1-CZ3 3.73Å; V84-W102 HydrophobicContact CG2-CE3 3.72Å; V84-W102 HydrophobicContact CG2-CZ3 3.57Å; W102-L320 PolarHBondContact N-O 3.47Å; W102-L320 PolarHBondContact O-N 3Å; W102-K345 PolarHBondContact NE1-O 3.45Å; W102-L349 HydrophobicContact CD2-CD2 4.14Å; W102-L349 HydrophobicContact CG-CD2 3.97Å; W102-L349 HydrophobicContact CZ2-CB 4.3Å
103Q92Very high93.9Very high95 Ų9539.3 Ų39.344%0.44419%0.185SC..EExtended strand (participates in β ladder)trans-105.2121.8166.3-66.7-66-21.500107.9S317Q103-S317 PolarHBondContact OE1-OG 3.35Å
104D91Very high93.4Very high11 Ų1138.8 Ų38.86%0.05919%0.19CC..EExtended strand (participates in β ladder)trans-111.9124.7-177-158.18.2000110.5S290 S291 T292 S317 S318 L320D104-S290 VanDerWaalsContact CG-CB 3.45Å; D104-S290 WeakPolarHBondContact OD2-CB 3.48Å; D104-S290 PolarHBondContact OD2-OG 2.83Å; D104-S291 PolarHBondContact OD1-N 2.96Å; D104-S291 PolarHBondContact OD1-OG 2.8Å; D104-T292 WeakPolarHBondContact OD1-CB 3.29Å; D104-T292 PolarHBondContact OD1-N 2.69Å; D104-T292 PolarHBondContact OD1-OG1 2.91Å; D104-S317 CarbonylContact O-C 3.58Å; D104-S317 WeakPolarHBondContact O-CA 3.35Å; D104-S318 PolarHBondContact N-O 2.9Å; D104-S318 PolarHBondContact O-N 3.03Å; D104-L320 HydrophobicContact CB-CD1 3.68Å; D104-L320 HydrophobicContact CB-CD2 4.28Å; D104-L320 HydrophobicContact CB-CG 3.8Å
105E91.6Very high92.5Very high91 Ų9139 Ų3943%0.42519%0.188SC..  trans-92.8150-176.8-66.7174.9176.700111.3S290 S291E105-S290 CarbonylContact O-C 3.55Å; E105-S290 WeakPolarHBondContact O-CA 3.44Å; E105-S291 PolarHBondContact N-OG 3.32Å; E105-S291 WeakPolarHBondContact O-CB 3.4Å; E105-S291 PolarHBondContact O-N 2.99Å
106Q93.4Very high91.1Very high24 Ų2446.3 Ų46.311%0.11222%0.222CC..EExtended strand (participates in β ladder)trans-73.8135.5168.3-179.5160.2-86.700109.6F108 S246 V288 D312 V315Q106-F108 HydrophobicContact CG-CE1 4.38Å; Q106-S246 PolarHBondContact NE2-O 2.81Å; Q106-S246 VanDerWaalsContact NE2-O 3.16Å; Q106-V288 HydrophobicContact CG-CG1 3.61Å; Q106-D312 HydrophobicContact CB-CB 3.96Å; Q106-D312 HydrophobicContact CG-CB 4.14Å; Q106-D312 PolarHBondContact NE2-OD2 2.83Å; Q106-D312 VanDerWaalsContact O-CB 3.26Å; Q106-D312 WeakPolarHBondContact O-CB 3.19Å; Q106-D312 PolarHBondContact O-N 2.94Å; Q106-V315 HydrophobicContact CB-CB 4.38Å; Q106-V315 HydrophobicContact CB-CG1 4.37Å
107T93.8Very high89.5Confident0 Ų050 Ų500%025%0.246CC..EExtended strand (participates in β ladder)trans-133.7146.5179.263.10000111.2W109 V288 K289 R309 I310T107-W109 PolarHBondContact OG1-NE1 2.79Å; T107-V288 WeakPolarHBondContact O-CA 3.36Å; T107-K289 PolarHBondContact N-O 2.88Å; T107-K289 PolarHBondContact O-N 3.25Å; T107-K289 VanDerWaalsContact O-O 3.07Å; T107-K289 PolarHBondContact OG1-O 3.48Å; T107-R309 HydrophobicContact CG2-CG 4.37Å; T107-I310 CarbonylContact C-O 3.57Å; T107-I310 WeakPolarHBondContact CA-O 3.24Å
108F95.1Very high87.8Confident0 Ų051.7 Ų51.70%026%0.255CS..EExtended strand (participates in β ladder)trans-103.3134173.6-42.1-56.7000109.8Q106 F216 I219 L222 V286 V288 R309 I310 D312Q106-F108 HydrophobicContact CG-CE1 4.38Å; F108-F216 HydrophobicContact CB-CE2 3.57Å; F108-F216 HydrophobicContact CB-CZ 4.28Å; F108-F216 AromaticContact CD2-CD2 3.72Å; F108-F216 HydrophobicContact CD2-CD2 3.72Å; F108-F216 AromaticContact CD2-CE2 3.57Å; F108-F216 HydrophobicContact CD2-CE2 3.57Å; F108-F216 HydrophobicContact CE2-CD2 4.17Å; F108-F216 HydrophobicContact CE2-CE2 4.4Å; F108-F216 HydrophobicContact CG-CD2 4.21Å; F108-F216 AromaticContact CG-CE2 3.62Å; F108-F216 HydrophobicContact CG-CE2 3.62Å; F108-I219 HydrophobicContact CE1-CD1 4.04Å; F108-I219 HydrophobicContact CZ-CB 4.16Å; F108-I219 HydrophobicContact CZ-CD1 4.43Å; F108-L222 HydrophobicContact CD1-CD2 3.76Å; F108-L222 HydrophobicContact CE1-CD2 3.77Å; F108-L222 HydrophobicContact CG-CD2 4.43Å; F108-L222 HydrophobicContact CZ-CD2 4.45Å; F108-V286 HydrophobicContact CB-CG1 4.11Å; F108-V288 HydrophobicContact CD1-CB 4.43Å; F108-V288 HydrophobicContact CD1-CG1 3.95Å; F108-V288 HydrophobicContact CD1-CG2 3.9Å; F108-V288 HydrophobicContact CE1-CG1 3.99Å; F108-V288 HydrophobicContact CE1-CG2 4.34Å; F108-R309 CarbonylContact O-C 3.6Å; F108-R309 WeakPolarHBondContact O-CA 3.35Å; F108-I310 HydrophobicContact CB-CB 4.27Å; F108-I310 HydrophobicContact CD2-CB 4.15Å; F108-I310 HydrophobicContact CD2-CG2 4.03Å; F108-I310 PolarHBondContact N-O 3.5Å; F108-I310 PolarHBondContact O-N 3.32Å; F108-D312 HydrophobicContact CE1-CB 4.29Å; F108-D312 HydrophobicContact CE2-CB 3.81Å; F108-D312 HydrophobicContact CZ-CB 3.56Å; F108-D312 WeakPolarHBondContact CZ-OD2 3.28Å
109W95Very high86.6Confident0 Ų058.2 Ų58.20%029%0.287CS..EExtended strand (participates in β ladder)trans-119.9120.4178.7-71.669.4000109.1T107 I279 M287 A294 A298 L307 W308 R309 V360T107-W109 PolarHBondContact OG1-NE1 2.79Å; W109-I279 HydrophobicContact CB-CD1 3.82Å; W109-M287 HydrophobicContact CB-CB 4.23Å; W109-M287 HydrophobicContact CB-CE 3.91Å; W109-M287 HydrophobicContact CD2-CE 4.44Å; W109-M287 HydrophobicContact CG-CE 3.93Å; W109-M287 PolarHBondContact N-O 3.33Å; W109-M287 PolarHBondContact O-N 3.46Å; W109-A294 HydrophobicContact CD2-CB 4.17Å; W109-A294 HydrophobicContact CG-CB 4.46Å; W109-A294 HydrophobicContact CH2-CB 4.47Å; W109-A294 HydrophobicContact CZ2-CB 3.45Å; W109-A294 VanDerWaalsContact CZ2-CB 3.45Å; W109-A298 HydrophobicContact CH2-CB 3.47Å; W109-A298 VanDerWaalsContact CH2-CB 3.47Å; W109-A298 HydrophobicContact CZ3-CB 3.7Å; W109-L307 HydrophobicContact CE3-CB 4.03Å; W109-L307 HydrophobicContact CE3-CD1 4.01Å; W109-L307 HydrophobicContact CZ3-CB 4.12Å; W109-L307 HydrophobicContact CZ3-CD1 3.9Å; W109-W308 WeakPolarHBondContact CA-O 3.5Å; W109-R309 HydrophobicContact CD2-CB 4.19Å; W109-R309 HydrophobicContact CE3-CB 4.5Å; W109-R309 HydrophobicContact CH2-CB 4.25Å; W109-R309 HydrophobicContact CZ2-CB 3.92Å; W109-R309 HydrophobicContact CZ2-CG 3.89Å; W109-V360 HydrophobicContact CE3-CG1 4.47Å; W109-V360 HydrophobicContact CH2-CB 4.38Å; W109-V360 HydrophobicContact CH2-CG1 3.92Å; W109-V360 HydrophobicContact CH2-CG2 3.96Å; W109-V360 HydrophobicContact CZ3-CB 4.43Å; W109-V360 HydrophobicContact CZ3-CG1 3.69Å; W109-V360 HydrophobicContact CZ3-CG2 3.94Å
110I95.8Very high85.9Confident4 Ų452 Ų522%0.02126%0.264CS..EExtended strand (participates in β ladder)trans-129168.3178.265.8176.5000110A112 P215 F216 V286 W308 I310I110-A112 PolarHBondContact O-N 2.86Å; I110-P215 HydrophobicContact CD1-CG 3.67Å; I110-F216 HydrophobicContact CG2-CZ 3.8Å; I110-V286 HydrophobicContact CG2-CB 4.22Å; I110-V286 HydrophobicContact CG2-CG1 3.99Å; I110-V286 HydrophobicContact CG2-CG2 3.82Å; I110-W308 HydrophobicContact CD1-CD2 4.38Å; I110-W308 HydrophobicContact CD1-CE3 3.84Å; I110-W308 HydrophobicContact CG1-CB 3.9Å; I110-W308 HydrophobicContact CG1-CE3 4.31Å; I110-W308 HydrophobicContact CG1-CG 4.42Å; I110-W308 PolarHBondContact N-O 2.87Å; I110-W308 PolarHBondContact O-N 2.75Å; I110-I310 HydrophobicContact CD1-CD1 3.7Å; I110-I310 HydrophobicContact CG1-CD1 4.16Å
111R95.2Very high85.4Confident89 Ų8954.3 Ų54.334%0.33628%0.275SS..EExtended strand (participates in β ladder)trans-68.9128.1169.5179.9174171170-7.7109.8I279 L280R111-I279 HydrophobicContact CB-CG2 4.35Å; R111-I279 VanDerWaalsContact N-CG2 3.34Å; R111-L280 HydrophobicContact CG-CD2 4.18Å; R111-L280 PolarHBondContact NH1-O 2.88Å
112A92.1Very high84.9Confident9 Ų955 Ų557%0.07428%0.28CS..PPolyproline II helixtrans-63.1137171.100000110I110 T114 K306 W308 L366I110-A112 PolarHBondContact O-N 2.86Å; A112-T114 PolarHBondContact O-N 3.04Å; A112-K306 WeakPolarHBondContact CB-O 3.45Å; A112-K306 PolarHBondContact N-O 3.15Å; A112-W308 HydrophobicContact CB-CB 4.2Å; A112-L366 HydrophobicContact CB-CD1 4.39Å
113P88.4Confident84.7Confident40 Ų4056.6 Ų56.626%0.2629%0.293SS..PPolyproline II helixtrans-60.3132.8179.724.3-33.6000110.4F115 F212 W308 L366P113-F115 HydrophobicContact CB-CE1 4.04Å; P113-F115 HydrophobicContact CG-CE1 3.61Å; P113-F115 HydrophobicContact CG-CZ 3.83Å; P113-F115 PolarHBondContact O-N 2.83Å; P113-F212 HydrophobicContact CB-CD1 4.38Å; P113-F212 HydrophobicContact CG-CB 4.39Å; P113-F212 HydrophobicContact CG-CD1 4.36Å; P113-F212 HydrophobicContact CG-CG 4.43Å; P113-W308 HydrophobicContact CG-CE3 4.48Å; P113-W308 HydrophobicContact CG-CZ3 4.19Å; P113-L366 HydrophobicContact CG-CD1 4.3Å
114T82.1Confident84.5Confident99 Ų9954.5 Ų54.561%0.60729%0.292SS*.  trans-79.2110.7172.451.50000109A112 Q116A112-T114 PolarHBondContact O-N 3.04Å; T114-Q116 PolarHBondContact O-N 3.4Å; T114-Q116 VanDerWaalsContact O-N 3.13Å
115F73.2Confident84.3Confident70 Ų7055.5 Ų55.531%0.30730%0.299SS..  trans-74.7105.3176.7-50.3-55.8000110.3P113 F212 L366 L367 G368P113-F115 HydrophobicContact CB-CE1 4.04Å; P113-F115 HydrophobicContact CG-CE1 3.61Å; P113-F115 HydrophobicContact CG-CZ 3.83Å; P113-F115 PolarHBondContact O-N 2.83Å; F115-F212 AromaticContact CD1-CD2 3.72Å; F115-F212 HydrophobicContact CD1-CD2 3.72Å; F115-F212 AromaticContact CD1-CE2 3.47Å; F115-F212 HydrophobicContact CD1-CE2 3.47Å; F115-F212 VanDerWaalsContact CD1-CE2 3.47Å; F115-F212 HydrophobicContact CD1-CG 4.4Å; F115-F212 HydrophobicContact CD1-CZ 4Å; F115-F212 HydrophobicContact CE1-CB 4.14Å; F115-F212 HydrophobicContact CE1-CD1 4.27Å; F115-F212 AromaticContact CE1-CD2 3.22Å; F115-F212 HydrophobicContact CE1-CD2 3.22Å; F115-F212 AromaticContact CE1-CE2 3.51Å; F115-F212 HydrophobicContact CE1-CE2 3.51Å; F115-F212 AromaticContact CE1-CG 3.63Å; F115-F212 HydrophobicContact CE1-CG 3.63Å; F115-F212 HydrophobicContact CE1-CZ 4.17Å; F115-F212 HydrophobicContact CZ-CD2 4.2Å; F115-L366 HydrophobicContact CZ-CB 3.91Å; F115-L367 WeakPolarHBondContact CE2-O 3.38Å; F115-G368 WeakPolarHBondContact CB-O 3.29Å; F115-G368 VanDerWaalsContact CE1-CA 3.5Å; F115-G368 VanDerWaalsContact CG-CA 3.48Å; F115-G368 WeakPolarHBondContact CG-O 3.24Å
116Q66.6Low84.3Confident161 Ų16153.1 Ų53.175%0.75229%0.287SS*.  trans-71.8138.4165.6-66.8-176.4100108.5T114 Q118T114-Q116 PolarHBondContact O-N 3.4Å; T114-Q116 VanDerWaalsContact O-N 3.13Å; Q116-Q118 PolarHBondContact O-N 3.18Å
117S63Low84.3Confident90 Ų9056.2 Ų56.263%0.62931%0.305SS*.  trans-6299172.6600000108.7M119S117-M119 PolarHBondContact O-N 2.91Å
118Q62.3Low84.3Confident122 Ų12263.1 Ų63.157%0.5734%0.339SS*.PPolyproline II helixtrans-71.8122.3179.3-68.2-175.6-5.200108Q116Q116-Q118 PolarHBondContact O-N 3.18Å
119M70.3Confident84.3Confident138 Ų13870.3 Ų70.368%0.6837%0.372SS*.PPolyproline II helixtrans-64136.2166.2-65.9-175.7-172.900107.8S117 N121S117-M119 PolarHBondContact O-N 2.91Å; M119-N121 PolarHBondContact O-N 3.12Å; M119-N121 VanDerWaalsContact O-N 3.12Å
120F80.8Confident84.3Confident19 Ų1972.4 Ų72.48%0.08339%0.387CS..PPolyproline II helixtrans-57.9120.9175.1174.3-102.5000109.4P122 Y201 I202 A205 L206 H381 P385F120-P122 HydrophobicContact CE1-CB 3.98Å; F120-P122 VanDerWaalsContact O-CD 3.28Å; F120-P122 WeakPolarHBondContact O-CD 3.32Å; F120-Y201 HydrophobicContact CD2-CE1 4.32Å; F120-Y201 AromaticContact CE2-CD1 3.98Å; F120-Y201 HydrophobicContact CE2-CD1 3.98Å; F120-Y201 AromaticContact CE2-CE1 3.31Å; F120-Y201 HydrophobicContact CE2-CE1 3.31Å; F120-Y201 HydrophobicContact CZ-CD1 4.1Å; F120-Y201 AromaticContact CZ-CE1 3.6Å; F120-Y201 HydrophobicContact CZ-CE1 3.6Å; F120-I202 HydrophobicContact CE1-CG1 4.47Å; F120-I202 HydrophobicContact CE2-CG1 4.23Å; F120-I202 HydrophobicContact CZ-CB 4.37Å; F120-I202 HydrophobicContact CZ-CG1 3.63Å; F120-A205 HydrophobicContact CD2-CB 3.75Å; F120-A205 HydrophobicContact CE2-CB 3.73Å; F120-L206 HydrophobicContact CB-CD2 3.94Å; F120-L206 HydrophobicContact CD2-CD2 3.92Å; F120-L206 HydrophobicContact CD2-CG 4.1Å; F120-L206 HydrophobicContact CG-CD2 4.04Å; F120-H381 WeakPolarHBondContact CB-O 3.29Å; F120-H381 PolarHBondContact N-O 3.22Å; F120-P385 HydrophobicContact CD1-CG 3.45Å; F120-P385 VanDerWaalsContact CD1-CG 3.45Å; F120-P385 HydrophobicContact CE1-CG 3.71Å
121N83.8Confident84.2Confident76 Ų7676.4 Ų76.441%0.40640%0.402SS..  trans-96.2104.7178.4-178.1-1.7000109.6M119 A123 A124 Y201M119-N121 PolarHBondContact O-N 3.12Å; M119-N121 VanDerWaalsContact O-N 3.12Å; N121-A123 PolarHBondContact O-N 2.91Å; N121-A123 VanDerWaalsContact O-N 3.14Å; N121-A123 WeakPolarHBondContact OD1-CB 3.49Å; N121-A123 PolarHBondContact OD1-N 2.89Å; N121-A124 HydrophobicContact CB-CB 4.04Å; N121-A124 WeakPolarHBondContact O-CB 2.97Å; N121-A124 PolarHBondContact O-N 3.27Å; N121-Y201 PolarHBondContact O-OH 3.45Å
122P85.2Confident84.2Confident16 Ų1675.4 Ų75.410%0.10441%0.406CS..THydrogen-bonded Turntrans-65.9-15.9-179.227-34.1000113.6F120 P125 Y198 P385 Y388F120-P122 HydrophobicContact CE1-CB 3.98Å; F120-P122 VanDerWaalsContact O-CD 3.28Å; F120-P122 WeakPolarHBondContact O-CD 3.32Å; P122-P125 WeakPolarHBondContact O-CD 3.48Å; P122-Y198 WeakPolarHBondContact CA-OH 3.46Å; P122-Y198 WeakPolarHBondContact CB-OH 3.48Å; P122-Y198 VanDerWaalsContact O-CE2 3.28Å; P122-Y198 WeakPolarHBondContact O-CE2 3.32Å; P122-Y198 PolarHBondContact O-OH 3.36Å; P122-P385 HydrophobicContact CB-CG 4.38Å; P122-P385 HydrophobicContact CG-CG 4.42Å; P122-Y388 HydrophobicContact CG-CD2 3.35Å; P122-Y388 HydrophobicContact CG-CE2 3.4Å; P122-Y388 HydrophobicContact CG-CG 4.18Å
123A87.1Confident84.3Confident34 Ų3478.6 Ų78.628%0.28142%0.424SS..THydrogen-bonded Turntrans-89.2-8.3178.700000113.6N121 W131N121-A123 PolarHBondContact O-N 2.91Å; N121-A123 VanDerWaalsContact O-N 3.14Å; N121-A123 WeakPolarHBondContact OD1-CB 3.49Å; N121-A123 PolarHBondContact OD1-N 2.89Å; A123-W131 PolarHBondContact O-NE1 3.02Å
124A87.9Confident84.4Confident51 Ų5177.8 Ų77.842%0.42142%0.417SS..THydrogen-bonded Turntrans-73.7-20.1-17600000118.3N121 F126 Y201N121-A124 HydrophobicContact CB-CB 4.04Å; N121-A124 WeakPolarHBondContact O-CB 2.97Å; N121-A124 PolarHBondContact O-N 3.27Å; A124-F126 PolarHBondContact O-N 3.35Å; A124-Y201 HydrophobicContact CB-CE1 4.5Å; A124-Y201 HydrophobicContact CB-CE2 4.21Å; A124-Y201 VanDerWaalsContact CB-OH 3.3Å; A124-Y201 WeakPolarHBondContact CB-OH 3.45Å
125P88.7Confident84.9Confident32 Ų3275.5 Ų75.521%0.20841%0.408CS..THydrogen-bonded Turntrans-65.5-23.6-1788.6-12.8000114.3P122 Y198 Y201P122-P125 WeakPolarHBondContact O-CD 3.48Å; P125-Y198 HydrophobicContact CB-CD2 4.17Å; P125-Y198 HydrophobicContact CB-CE2 4.48Å; P125-Y198 HydrophobicContact CG-CD2 3.35Å; P125-Y198 HydrophobicContact CG-CE2 3.25Å; P125-Y198 HydrophobicContact CG-CG 4.35Å; P125-Y201 HydrophobicContact CB-CD1 3.67Å; P125-Y201 HydrophobicContact CB-CD2 4.04Å; P125-Y201 HydrophobicContact CB-CE1 4.38Å; P125-Y201 HydrophobicContact CB-CG 3.5Å; P125-Y201 VanDerWaalsContact CB-CG 3.5Å; P125-Y201 HydrophobicContact CG-CD1 3.41Å; P125-Y201 VanDerWaalsContact CG-CD1 3.41Å; P125-Y201 HydrophobicContact CG-CE1 3.88Å; P125-Y201 HydrophobicContact CG-CG 3.82Å
126F91.5Very high85.9Confident42 Ų4276.7 Ų76.718%0.18442%0.417CS..SBendtrans-124.9141.7-177.2-59.5-56.8000109.8A124 W131 L134 I194 A197 Y198A124-F126 PolarHBondContact O-N 3.35Å; F126-W131 HydrophobicContact CB-CD2 4.34Å; F126-W131 HydrophobicContact CB-CG 4.38Å; F126-W131 HydrophobicContact CB-CZ2 4.43Å; F126-W131 HydrophobicContact CD2-CD2 4.47Å; F126-W131 AromaticContact CD2-CH2 3.97Å; F126-W131 HydrophobicContact CD2-CH2 3.97Å; F126-W131 AromaticContact CD2-CZ2 3.78Å; F126-W131 HydrophobicContact CD2-CZ2 3.78Å; F126-W131 HydrophobicContact CD2-CZ3 4.4Å; F126-W131 PolarHBondContact O-NE1 2.64Å; F126-L134 HydrophobicContact CD2-CD1 4.11Å; F126-L134 HydrophobicContact CE2-CD1 4.22Å; F126-I194 HydrophobicContact CE2-CG2 4.15Å; F126-I194 HydrophobicContact CZ-CG2 4.11Å; F126-A197 HydrophobicContact CE1-CB 4.31Å; F126-A197 HydrophobicContact CZ-CB 4.21Å; F126-Y198 AromaticContact CE2-CD2 3.98Å; F126-Y198 HydrophobicContact CE2-CD2 3.98Å
127N93.1Very high87Confident89 Ų8972 Ų7248%0.47640%0.397SS..  trans-68.6164.8171.567.816.1000110.5Q129 S130 W131N127-Q129 PolarHBondContact O-N 3.17Å; N127-Q129 PolarHBondContact OD1-N 3.14Å; N127-S130 WeakPolarHBondContact O-CB 3.46Å; N127-S130 PolarHBondContact O-N 2.91Å; N127-S130 WeakPolarHBondContact OD1-CB 3.45Å; N127-S130 PolarHBondContact OD1-N 2.83Å; N127-S130 PolarHBondContact OD1-OG 3.48Å; N127-W131 PolarHBondContact O-N 2.83Å; N127-W131 VanDerWaalsContact O-N 3.09Å
128M93.1Very high88.2Confident145 Ų14571.3 Ų71.371%0.71439%0.385SS*.Hα-helixtrans-57.1-37.9-178-173.561.3-177.600112.5S130 W131 V132M128-S130 VanDerWaalsContact C-N 3.33Å; M128-S130 PolarHBondContact O-N 3.19Å; M128-W131 PolarHBondContact O-N 3.19Å; M128-V132 HydrophobicContact CE-CG2 4.09Å; M128-V132 WeakPolarHBondContact O-CG2 3.19Å; M128-V132 PolarHBondContact O-N 3.17Å
129Q95.9Very high89.6Confident151 Ų15170 Ų7071%0.70639%0.386SS*.Hα-helixtrans-61.5-40.7177.4-67.3175.2-12.600112.1N127 V132 T133N127-Q129 PolarHBondContact O-N 3.17Å; N127-Q129 PolarHBondContact OD1-N 3.14Å; Q129-V132 PolarHBondContact O-N 3.09Å; Q129-T133 WeakPolarHBondContact O-CB 3.44Å; Q129-T133 PolarHBondContact O-N 3Å; Q129-T133 PolarHBondContact O-OG1 3.36Å
130S93.5Very high90.6Very high44 Ų4466.9 Ų66.931%0.30838%0.376SS..Hα-helixtrans-66.8-44176.9-62.90000110.9N127 M128 V132 T133 L134N127-S130 WeakPolarHBondContact O-CB 3.46Å; N127-S130 PolarHBondContact O-N 2.91Å; N127-S130 WeakPolarHBondContact OD1-CB 3.45Å; N127-S130 PolarHBondContact OD1-N 2.83Å; N127-S130 PolarHBondContact OD1-OG 3.48Å; M128-S130 VanDerWaalsContact C-N 3.33Å; M128-S130 PolarHBondContact O-N 3.19Å; S130-V132 PolarHBondContact O-N 2.92Å; S130-T133 WeakPolarHBondContact O-CB 3.45Å; S130-T133 PolarHBondContact O-N 3.4Å; S130-L134 VanDerWaalsContact O-CG 3.29Å; S130-L134 WeakPolarHBondContact O-CG 3.39Å; S130-L134 PolarHBondContact O-N 3.22Å
131W93.8Very high90.9Very high88 Ų8866.7 Ų66.733%0.33338%0.377SS..Hα-helixtrans-59.4-44174.7-77.6117.2000112.8A123 F126 N127 M128 T133 L134 A135 Y198A123-W131 PolarHBondContact O-NE1 3.02Å; F126-W131 HydrophobicContact CB-CD2 4.34Å; F126-W131 HydrophobicContact CB-CG 4.38Å; F126-W131 HydrophobicContact CB-CZ2 4.43Å; F126-W131 HydrophobicContact CD2-CD2 4.47Å; F126-W131 AromaticContact CD2-CH2 3.97Å; F126-W131 HydrophobicContact CD2-CH2 3.97Å; F126-W131 AromaticContact CD2-CZ2 3.78Å; F126-W131 HydrophobicContact CD2-CZ2 3.78Å; F126-W131 HydrophobicContact CD2-CZ3 4.4Å; F126-W131 PolarHBondContact O-NE1 2.64Å; N127-W131 PolarHBondContact O-N 2.83Å; N127-W131 VanDerWaalsContact O-N 3.09Å; M128-W131 PolarHBondContact O-N 3.19Å; W131-T133 VanDerWaalsContact C-N 3.35Å; W131-L134 HydrophobicContact CE3-CD1 4.15Å; W131-L134 HydrophobicContact CZ3-CD1 4.32Å; W131-L134 PolarHBondContact O-N 3.47Å; W131-A135 WeakPolarHBondContact O-CB 3.48Å; W131-A135 PolarHBondContact O-N 3.03Å; W131-Y198 HydrophobicContact CH2-CE2 4.11Å; W131-Y198 HydrophobicContact CZ2-CE2 4.3Å
132V95.1Very high91.1Very high68 Ų6864 Ų6441%0.41236%0.364SS..Hα-helixtrans-62.5-43.4175.4172.20000110.8M128 Q129 S130 L134 A135 I136M128-V132 HydrophobicContact CE-CG2 4.09Å; M128-V132 WeakPolarHBondContact O-CG2 3.19Å; M128-V132 PolarHBondContact O-N 3.17Å; Q129-V132 PolarHBondContact O-N 3.09Å; S130-V132 PolarHBondContact O-N 2.92Å; V132-L134 PolarHBondContact O-N 2.61Å; V132-A135 PolarHBondContact O-N 2.87Å; V132-I136 HydrophobicContact CG1-CD1 3.84Å; V132-I136 HydrophobicContact CG1-CG1 4.46Å; V132-I136 VanDerWaalsContact O-CG1 3.31Å; V132-I136 WeakPolarHBondContact O-CG1 3.1Å; V132-I136 PolarHBondContact O-N 2.83Å
133T94.2Very high91.4Very high75 Ų7565.6 Ų65.646%0.4638%0.378SS..Hα-helixtrans-61.3-44.3177.5-56.90000111.4Q129 S130 W131 A135 I136 I137Q129-T133 WeakPolarHBondContact O-CB 3.44Å; Q129-T133 PolarHBondContact O-N 3Å; Q129-T133 PolarHBondContact O-OG1 3.36Å; S130-T133 WeakPolarHBondContact O-CB 3.45Å; S130-T133 PolarHBondContact O-N 3.4Å; W131-T133 VanDerWaalsContact C-N 3.35Å; T133-A135 PolarHBondContact O-N 3.03Å; T133-I136 PolarHBondContact O-N 3.46Å; T133-I137 HydrophobicContact CG2-CD1 3.92Å; T133-I137 VanDerWaalsContact O-CG1 3.3Å; T133-I137 WeakPolarHBondContact O-CG1 2.96Å; T133-I137 PolarHBondContact O-N 3.37Å
134L92Very high91.4Very high23 Ų2368 Ų6812%0.1239%0.389CS..Hα-helixtrans-60.7-44.5175-69177.8000111.7F126 S130 W131 V132 I136 I137 I138 F190 I194F126-L134 HydrophobicContact CD2-CD1 4.11Å; F126-L134 HydrophobicContact CE2-CD1 4.22Å; S130-L134 VanDerWaalsContact O-CG 3.29Å; S130-L134 WeakPolarHBondContact O-CG 3.39Å; S130-L134 PolarHBondContact O-N 3.22Å; W131-L134 HydrophobicContact CE3-CD1 4.15Å; W131-L134 HydrophobicContact CZ3-CD1 4.32Å; W131-L134 PolarHBondContact O-N 3.47Å; V132-L134 PolarHBondContact O-N 2.61Å; L134-I136 VanDerWaalsContact C-N 3.34Å; L134-I136 PolarHBondContact O-N 3.04Å; L134-I137 PolarHBondContact O-N 2.99Å; L134-I138 WeakPolarHBondContact O-CB 3.14Å; L134-I138 VanDerWaalsContact O-CG1 3.28Å; L134-I138 WeakPolarHBondContact O-CG1 3.49Å; L134-I138 PolarHBondContact O-N 2.67Å; L134-F190 HydrophobicContact CD2-CE1 4.06Å; L134-F190 HydrophobicContact CD2-CZ 3.58Å; L134-I194 HydrophobicContact CD2-CD1 3.38Å; L134-I194 HydrophobicContact CD2-CG1 4.2Å
135A92Very high91.3Very high51 Ų5166 Ų6642%0.42137%0.371SS..Hα-helixtrans-62-41.1177.600000112W131 V132 T133 T139W131-A135 WeakPolarHBondContact O-CB 3.48Å; W131-A135 PolarHBondContact O-N 3.03Å; V132-A135 PolarHBondContact O-N 2.87Å; T133-A135 PolarHBondContact O-N 3.03Å; A135-T139 VanDerWaalsContact O-CB 3.31Å; A135-T139 WeakPolarHBondContact O-CB 3.48Å; A135-T139 PolarHBondContact O-N 2.59Å; A135-T139 PolarHBondContact O-OG1 2.02Å
136I93.8Very high91.3Very high95 Ų9565.3 Ų65.349%0.48737%0.367SS..Hα-helixtrans-64-49.2175.6-68167000110.4V132 T133 L134 I138 T139 C140V132-I136 HydrophobicContact CG1-CD1 3.84Å; V132-I136 HydrophobicContact CG1-CG1 4.46Å; V132-I136 VanDerWaalsContact O-CG1 3.31Å; V132-I136 WeakPolarHBondContact O-CG1 3.1Å; V132-I136 PolarHBondContact O-N 2.83Å; T133-I136 PolarHBondContact O-N 3.46Å; L134-I136 VanDerWaalsContact C-N 3.34Å; L134-I136 PolarHBondContact O-N 3.04Å; I136-I138 VanDerWaalsContact C-N 3.32Å; I136-I138 PolarHBondContact O-N 3.46Å; I136-T139 PolarHBondContact O-N 2.69Å; I136-C140 WeakPolarHBondContact O-CB 3.4Å; I136-C140 PolarHBondContact O-N 3.25Å; I136-C140 PolarHBondContact O-SG 3.43Å
137I90.2Very high91.2Very high63 Ų6367.6 Ų67.632%0.32339%0.385SS..Hα-helixtrans-58.5-44.5179.8-69.9167.7000111.1T133 L134 S141 F190T133-I137 HydrophobicContact CG2-CD1 3.92Å; T133-I137 VanDerWaalsContact O-CG1 3.3Å; T133-I137 WeakPolarHBondContact O-CG1 2.96Å; T133-I137 PolarHBondContact O-N 3.37Å; L134-I137 PolarHBondContact O-N 2.99Å; I137-S141 WeakPolarHBondContact O-CB 3.5Å; I137-S141 PolarHBondContact O-N 2.74Å; I137-S141 PolarHBondContact O-OG 2.81Å; I137-F190 HydrophobicContact CD1-CE1 4.37Å; I137-F190 HydrophobicContact CD1-CE2 4.3Å; I137-F190 HydrophobicContact CD1-CZ 3.66Å; I137-F190 HydrophobicContact CG2-CE1 3.97Å; I137-F190 HydrophobicContact CG2-CZ 4.32Å
138I88.2Confident90.9Very high76 Ų7667.4 Ų67.439%0.3938%0.378SS..Hα-helixtrans-64.6-47.2178.1-68.2167.3000110.5L134 I136 C140 S141 V142 M168L134-I138 WeakPolarHBondContact O-CB 3.14Å; L134-I138 VanDerWaalsContact O-CG1 3.28Å; L134-I138 WeakPolarHBondContact O-CG1 3.49Å; L134-I138 PolarHBondContact O-N 2.67Å; I136-I138 VanDerWaalsContact C-N 3.32Å; I136-I138 PolarHBondContact O-N 3.46Å; I138-C140 PolarHBondContact O-N 3.13Å; I138-S141 WeakPolarHBondContact O-CB 3.38Å; I138-S141 PolarHBondContact O-N 3.2Å; I138-V142 WeakPolarHBondContact O-CG2 3.31Å; I138-V142 PolarHBondContact O-N 3.37Å; I138-M168 HydrophobicContact CB-CE 4.38Å; I138-M168 HydrophobicContact CG1-CE 4.15Å; I138-M168 HydrophobicContact CG2-CE 4.15Å
139T91.2Very high90.6Very high95 Ų9562.2 Ų62.258%0.58335%0.351SS*.Hα-helixtrans-63.1-44.1-179.6-54.80000111.5A135 I136 S141 V142 A143A135-T139 VanDerWaalsContact O-CB 3.31Å; A135-T139 WeakPolarHBondContact O-CB 3.48Å; A135-T139 PolarHBondContact O-N 2.59Å; A135-T139 PolarHBondContact O-OG1 2.02Å; I136-T139 PolarHBondContact O-N 2.69Å; T139-S141 VanDerWaalsContact C-N 3.34Å; T139-S141 PolarHBondContact O-N 2.87Å; T139-V142 PolarHBondContact O-N 3.35Å; T139-A143 WeakPolarHBondContact O-CB 3.29Å; T139-A143 PolarHBondContact O-N 2.96Å
140C91.3Very high90.3Very high71 Ų7162 Ų6248%0.4835%0.345SS..Hα-helixtrans-62.2-40.6174.6-70.70000111.6I136 I138 A143 V144I136-C140 WeakPolarHBondContact O-CB 3.4Å; I136-C140 PolarHBondContact O-N 3.25Å; I136-C140 PolarHBondContact O-SG 3.43Å; I138-C140 PolarHBondContact O-N 3.13Å; C140-A143 PolarHBondContact O-N 3.39Å; C140-V144 WeakPolarHBondContact O-CB 3.48Å; C140-V144 VanDerWaalsContact O-CG2 3.27Å; C140-V144 WeakPolarHBondContact O-CG2 2.94Å; C140-V144 PolarHBondContact O-N 3.45Å
141S86.7Confident90.1Very high15 Ų1564 Ų6411%0.10536%0.364CS..Hα-helixtrans-63.2-44.1177.5-58.90000111.6I137 I138 T139 V144 L145I137-S141 WeakPolarHBondContact O-CB 3.5Å; I137-S141 PolarHBondContact O-N 2.74Å; I137-S141 PolarHBondContact O-OG 2.81Å; I138-S141 WeakPolarHBondContact O-CB 3.38Å; I138-S141 PolarHBondContact O-N 3.2Å; T139-S141 VanDerWaalsContact C-N 3.34Å; T139-S141 PolarHBondContact O-N 2.87Å; S141-V144 PolarHBondContact O-N 2.91Å; S141-L145 WeakPolarHBondContact O-CB 3.41Å; S141-L145 WeakPolarHBondContact O-CG 3.42Å; S141-L145 PolarHBondContact O-N 3.47Å
142V88.9Confident89.7Confident21 Ų2168.9 Ų68.913%0.12738%0.382CS..Hα-helixtrans-63.9-42174.81740000111.2I138 T139 L145 S146 L161 A164 M168I138-V142 WeakPolarHBondContact O-CG2 3.31Å; I138-V142 PolarHBondContact O-N 3.37Å; T139-V142 PolarHBondContact O-N 3.35Å; V142-L145 PolarHBondContact O-N 3.38Å; V142-S146 VanDerWaalsContact O-CB 3.24Å; V142-S146 WeakPolarHBondContact O-CB 3.16Å; V142-S146 PolarHBondContact O-N 2.97Å; V142-L161 HydrophobicContact CG1-CD1 3.76Å; V142-A164 HydrophobicContact CG1-CB 4.28Å; V142-M168 HydrophobicContact CG2-CB 3.91Å; V142-M168 HydrophobicContact CG2-CG 3.8Å
143A90.4Very high88.8Confident49 Ų4967.9 Ų67.941%0.40538%0.378SS..Hα-helixtrans-63.9-41.8177.500000112.4T139 C140 S146 T147T139-A143 WeakPolarHBondContact O-CB 3.29Å; T139-A143 PolarHBondContact O-N 2.96Å; C140-A143 PolarHBondContact O-N 3.39Å; A143-S146 PolarHBondContact O-N 2.97Å; A143-T147 WeakPolarHBondContact O-CG2 3.48Å; A143-T147 PolarHBondContact O-N 2.71Å; A143-T147 PolarHBondContact O-OG1 3.43Å
144V88.5Confident88Confident84 Ų8473.3 Ų73.351%0.50940%0.398SS..Hα-helixtrans-65.7-42.6176.3170.60000111.1C140 S141 T147 Y148C140-V144 WeakPolarHBondContact O-CB 3.48Å; C140-V144 VanDerWaalsContact O-CG2 3.27Å; C140-V144 WeakPolarHBondContact O-CG2 2.94Å; C140-V144 PolarHBondContact O-N 3.45Å; S141-V144 PolarHBondContact O-N 2.91Å; V144-T147 WeakPolarHBondContact CA-OG1 3.46Å; V144-T147 PolarHBondContact O-OG1 3.21Å; V144-Y148 WeakPolarHBondContact O-CB 3.27Å; V144-Y148 PolarHBondContact O-N 2.97Å
145L86.1Confident87.1Confident9 Ų974.4 Ų74.45%0.04740%0.403CS..Hα-helixtrans-66-40.5175.4-72.9168.2000111.9S141 V142 Y148 Y149 A164 W184S141-L145 WeakPolarHBondContact O-CB 3.41Å; S141-L145 WeakPolarHBondContact O-CG 3.42Å; S141-L145 PolarHBondContact O-N 3.47Å; V142-L145 PolarHBondContact O-N 3.38Å; L145-Y148 WeakPolarHBondContact O-CB 3.38Å; L145-Y148 PolarHBondContact O-N 3.46Å; L145-Y149 WeakPolarHBondContact O-CD2 2.95Å; L145-Y149 PolarHBondContact O-N 3.09Å; L145-A164 HydrophobicContact CB-CB 3.7Å; L145-W184 HydrophobicContact CD1-CH2 3.9Å; L145-W184 HydrophobicContact CD1-CZ2 3.56Å; L145-W184 HydrophobicContact CD2-CZ2 4.06Å; L145-W184 HydrophobicContact CG-CZ2 4.45Å
146S88.3Confident86.8Confident17 Ų1778.3 Ų78.312%0.11942%0.416CS..Hα-helixtrans-63-44.7177.8-179.10000111.6V142 A143 Y148 Y149 Y150 L161V142-S146 VanDerWaalsContact O-CB 3.24Å; V142-S146 WeakPolarHBondContact O-CB 3.16Å; V142-S146 PolarHBondContact O-N 2.97Å; A143-S146 PolarHBondContact O-N 2.97Å; S146-Y148 VanDerWaalsContact C-N 3.33Å; S146-Y148 PolarHBondContact O-N 3.29Å; S146-Y149 PolarHBondContact O-N 3.36Å; S146-Y150 WeakPolarHBondContact O-CB 3.46Å; S146-Y150 PolarHBondContact O-N 2.8Å; S146-L161 PolarHBondContact OG-N 3.27Å
147T88.3Confident86.5Confident91 Ų9175.5 Ų75.556%0.55841%0.411SS*.Hα-helixtrans-65.7-36.2175.651.60000112.2A143 V144 A151A143-T147 WeakPolarHBondContact O-CG2 3.48Å; A143-T147 PolarHBondContact O-N 2.71Å; A143-T147 PolarHBondContact O-OG1 3.43Å; V144-T147 WeakPolarHBondContact CA-OG1 3.46Å; V144-T147 PolarHBondContact O-OG1 3.21Å; T147-A151 WeakPolarHBondContact O-CB 3.36Å; T147-A151 PolarHBondContact O-N 2.89Å
148Y87.9Confident86.3Confident85 Ų8577.2 Ų77.233%0.33343%0.425SS..Hα-helixtrans-62.7-42.7171.9174.9-90.6000112.4V144 L145 S146 R152 K181V144-Y148 WeakPolarHBondContact O-CB 3.27Å; V144-Y148 PolarHBondContact O-N 2.97Å; L145-Y148 WeakPolarHBondContact O-CB 3.38Å; L145-Y148 PolarHBondContact O-N 3.46Å; S146-Y148 VanDerWaalsContact C-N 3.33Å; S146-Y148 PolarHBondContact O-N 3.29Å; Y148-R152 WeakPolarHBondContact O-CB 3.31Å; Y148-R152 PolarHBondContact O-N 3.39Å; Y148-R152 WeakPolarHBondContact OH-CD 3.17Å; Y148-K181 PolarHBondContact OH-NZ 2.95Å
149Y87.2Confident86.3Confident36 Ų3679.1 Ų79.114%0.14143%0.43CS..Hα-helixtrans-69.4-41.4178.2-80.8-54.4000113.1L145 S146 A151 R152 S153 Q163 A164 E167L145-Y149 WeakPolarHBondContact O-CD2 2.95Å; L145-Y149 PolarHBondContact O-N 3.09Å; S146-Y149 PolarHBondContact O-N 3.36Å; Y149-A151 VanDerWaalsContact C-N 3.33Å; Y149-A151 PolarHBondContact O-N 2.74Å; Y149-R152 PolarHBondContact O-N 3.37Å; Y149-S153 WeakPolarHBondContact O-CB 3.29Å; Y149-S153 PolarHBondContact O-N 3.36Å; Y149-S153 PolarHBondContact O-OG 2.93Å; Y149-Q163 HydrophobicContact CD2-CG 4.28Å; Y149-Q163 HydrophobicContact CE2-CG 4.2Å; Y149-A164 HydrophobicContact CD2-CB 4.28Å; Y149-E167 WeakPolarHBondContact CE2-OE2 3.33Å; Y149-E167 VanDerWaalsContact OH-CD 3.32Å; Y149-E167 PolarHBondContact OH-OE1 3.26Å; Y149-E167 PolarHBondContact OH-OE2 3.08Å
150Y88.9Confident86.2Confident147 Ų14774.6 Ų74.658%0.57640%0.402SS*.Hα-helixtrans-59.4-45.7175.3-177.1-105.6000111.2S146 R152 E155 S160S146-Y150 WeakPolarHBondContact O-CB 3.46Å; S146-Y150 PolarHBondContact O-N 2.8Å; Y150-R152 VanDerWaalsContact C-N 3.32Å; Y150-R152 PolarHBondContact O-N 2.84Å; Y150-E155 VanDerWaalsContact CD2-O 3.29Å; Y150-E155 WeakPolarHBondContact CD2-O 3.23Å; Y150-S160 WeakPolarHBondContact CA-OG 3.24Å; Y150-S160 PolarHBondContact N-OG 3.33Å
151A88.4Confident86.2Confident86 Ų8675.2 Ų75.271%0.71140%0.4SS*.Hα-helixtrans-68.4-26.4179.700000114T147 Y149T147-A151 WeakPolarHBondContact O-CB 3.36Å; T147-A151 PolarHBondContact O-N 2.89Å; Y149-A151 VanDerWaalsContact C-N 3.33Å; Y149-A151 PolarHBondContact O-N 2.74Å
152R86.4Confident86.3Confident190 Ų19080.8 Ų80.872%0.71742%0.42SS*.Hα-helixtrans-99.8-30-173.9-172.7170.2177.2106.52.7114.6Y148 Y149 Y150Y148-R152 WeakPolarHBondContact O-CB 3.31Å; Y148-R152 PolarHBondContact O-N 3.39Å; Y148-R152 WeakPolarHBondContact OH-CD 3.17Å; Y149-R152 PolarHBondContact O-N 3.37Å; Y150-R152 VanDerWaalsContact C-N 3.32Å; Y150-R152 PolarHBondContact O-N 2.84Å
153S76.6Confident86.2Confident47 Ų4783.4 Ų83.433%0.32943%0.431SS..Hα-helixtrans-108.4-4.4-168.669.70000115.1Y149 E155Y149-S153 WeakPolarHBondContact O-CB 3.29Å; Y149-S153 PolarHBondContact O-N 3.36Å; Y149-S153 PolarHBondContact O-OG 2.93Å; S153-E155 PolarHBondContact O-N 2.98Å; S153-E155 WeakPolarHBondContact OG-CB 3.47Å; S153-E155 VanDerWaalsContact OG-CG 3.24Å; S153-E155 WeakPolarHBondContact OG-CG 3.35Å; S153-E155 PolarHBondContact OG-N 2.8Å
154E75.7Confident86.1Confident189 Ų18981.1 Ų81.188%0.88341%0.412SS*.  trans51.419.6-170.3-64.8-171.8167.700113.6
155E73.8Confident86.1Confident45 Ų4579.2 Ų79.221%0.2140%0.402CS..  trans-78.4152.8179.1-70.1-170.516600112Y150 S153 G157 K159Y150-E155 VanDerWaalsContact CD2-O 3.29Å; Y150-E155 WeakPolarHBondContact CD2-O 3.23Å; S153-E155 PolarHBondContact O-N 2.98Å; S153-E155 WeakPolarHBondContact OG-CB 3.47Å; S153-E155 VanDerWaalsContact OG-CG 3.24Å; S153-E155 WeakPolarHBondContact OG-CG 3.35Å; S153-E155 PolarHBondContact OG-N 2.8Å; E155-G157 PolarHBondContact O-N 3.34Å; E155-K159 HydrophobicContact CB-CB 4.45Å; E155-K159 HydrophobicContact CB-CD 4.4Å; E155-K159 VanDerWaalsContact CD-NZ 3.31Å; E155-K159 HydrophobicContact CG-CD 4.27Å; E155-K159 WeakPolarHBondContact OE1-CE 3.39Å; E155-K159 IonicContact OE1-NZ 2.71Å; E155-K159 PolarHBondContact OE1-NZ 2.74Å; E155-K159 WeakPolarHBondContact OE2-CD 3.48Å; E155-K159 WeakPolarHBondContact OE2-CE 3.36Å; E155-K159 VanDerWaalsContact OE2-CG 3.27Å; E155-K159 WeakPolarHBondContact OE2-CG 3.14Å; E155-K159 IonicContact OE2-NZ 3.55Å
156N86Confident86.2Confident133 Ų13381.8 Ų81.871%0.71142%0.421SS*.  trans-51.3137.5171.3-70.4-17.7000110.6V158 K159 S160N156-V158 PolarHBondContact O-N 3.43Å; N156-K159 WeakPolarHBondContact O-CA 3.37Å; N156-K159 WeakPolarHBondContact O-CB 3.28Å; N156-K159 PolarHBondContact O-N 2.99Å; N156-S160 PolarHBondContact O-N 3.41Å
157G87.5Confident86Confident37 Ų3782.5 Ų82.538%0.38142%0.422SS..Hα-helixtrans-55.2-32-17600000114.1E155 S160 L161E155-G157 PolarHBondContact O-N 3.34Å; G157-S160 PolarHBondContact O-N 2.89Å; G157-L161 PolarHBondContact O-N 3.38Å
158V86.3Confident85.8Confident99 Ų9979 Ų7960%0.640%0.4SS*.Hα-helixtrans-63.3-45.9173.9176.90000111.3N156 S160 L161 Y162N156-V158 PolarHBondContact O-N 3.43Å; V158-S160 VanDerWaalsContact C-N 3.34Å; V158-S160 PolarHBondContact O-N 3.33Å; V158-L161 WeakPolarHBondContact O-CB 3.48Å; V158-L161 PolarHBondContact O-N 3.44Å; V158-Y162 HydrophobicContact CG1-CD2 3.69Å; V158-Y162 HydrophobicContact CG1-CE2 3.46Å; V158-Y162 VanDerWaalsContact CG1-CE2 3.46Å; V158-Y162 WeakPolarHBondContact O-CD2 3.33Å; V158-Y162 PolarHBondContact O-N 3.19Å
159K88.6Confident85.6Confident116 Ų11678 Ų7850%0.50440%0.403SS..Hα-helixtrans-65.6-39.5179.4-164.2-179.8172-155.40111.2E155 N156 L161 Y162 Q163E155-K159 HydrophobicContact CB-CB 4.45Å; E155-K159 HydrophobicContact CB-CD 4.4Å; E155-K159 VanDerWaalsContact CD-NZ 3.31Å; E155-K159 HydrophobicContact CG-CD 4.27Å; E155-K159 WeakPolarHBondContact OE1-CE 3.39Å; E155-K159 IonicContact OE1-NZ 2.71Å; E155-K159 PolarHBondContact OE1-NZ 2.74Å; E155-K159 WeakPolarHBondContact OE2-CD 3.48Å; E155-K159 WeakPolarHBondContact OE2-CE 3.36Å; E155-K159 VanDerWaalsContact OE2-CG 3.27Å; E155-K159 WeakPolarHBondContact OE2-CG 3.14Å; E155-K159 IonicContact OE2-NZ 3.55Å; N156-K159 WeakPolarHBondContact O-CA 3.37Å; N156-K159 WeakPolarHBondContact O-CB 3.28Å; N156-K159 PolarHBondContact O-N 2.99Å; K159-L161 VanDerWaalsContact C-N 3.33Å; K159-L161 PolarHBondContact O-N 2.73Å; K159-Y162 PolarHBondContact O-N 3.09Å; K159-Q163 WeakPolarHBondContact O-CB 3.25Å; K159-Q163 PolarHBondContact O-N 2.89Å
160S89.1Confident85.4Confident0 Ų078.2 Ų78.20%041%0.406CS..Hα-helixtrans-59.7-40.7172.2-63.80000112.3Y150 N156 G157 V158 Q163 A164Y150-S160 WeakPolarHBondContact CA-OG 3.24Å; Y150-S160 PolarHBondContact N-OG 3.33Å; N156-S160 PolarHBondContact O-N 3.41Å; G157-S160 PolarHBondContact O-N 2.89Å; V158-S160 VanDerWaalsContact C-N 3.34Å; V158-S160 PolarHBondContact O-N 3.33Å; S160-Q163 PolarHBondContact O-N 3.48Å; S160-A164 VanDerWaalsContact O-CB 3.29Å; S160-A164 WeakPolarHBondContact O-CB 3.41Å; S160-A164 PolarHBondContact O-N 2.98Å
161L90.3Very high85Confident84 Ų8471.4 Ų71.444%0.4438%0.381SS..Hα-helixtrans-67.9-43176.7-174.868.7000112.6V142 S146 G157 V158 K159 Q163 A164 S165V142-L161 HydrophobicContact CG1-CD1 3.76Å; S146-L161 PolarHBondContact OG-N 3.27Å; G157-L161 PolarHBondContact O-N 3.38Å; V158-L161 WeakPolarHBondContact O-CB 3.48Å; V158-L161 PolarHBondContact O-N 3.44Å; K159-L161 VanDerWaalsContact C-N 3.33Å; K159-L161 PolarHBondContact O-N 2.73Å; L161-Q163 VanDerWaalsContact C-N 3.35Å; L161-A164 PolarHBondContact O-N 3.05Å; L161-S165 VanDerWaalsContact O-CB 3.3Å; L161-S165 WeakPolarHBondContact O-CB 3.41Å; L161-S165 PolarHBondContact O-N 2.77Å; L161-S165 PolarHBondContact O-OG 2.92Å
162Y88.3Confident84.5Confident132 Ų13269.4 Ų69.452%0.51836%0.361SS..Hα-helixtrans-61.6-44.1174.6-83.6-74.7000111.3V158 K159 S165 S166 E403V158-Y162 HydrophobicContact CG1-CD2 3.69Å; V158-Y162 HydrophobicContact CG1-CE2 3.46Å; V158-Y162 VanDerWaalsContact CG1-CE2 3.46Å; V158-Y162 WeakPolarHBondContact O-CD2 3.33Å; V158-Y162 PolarHBondContact O-N 3.19Å; K159-Y162 PolarHBondContact O-N 3.09Å; Y162-S165 PolarHBondContact O-N 2.94Å; Y162-S166 VanDerWaalsContact O-CB 3.31Å; Y162-S166 WeakPolarHBondContact O-CB 3.46Å; Y162-S166 PolarHBondContact O-N 3.36Å; Y162-E403 PolarHBondContact OH-OE1 3.5Å
163Q87.8Confident84Confident76 Ų7666.9 Ų66.936%0.35536%0.355SS..Hα-helixtrans-63.7-45.8177.9-174.6171.8-5.800111.6Y149 K159 S160 L161 S165 S166 E167Y149-Q163 HydrophobicContact CD2-CG 4.28Å; Y149-Q163 HydrophobicContact CE2-CG 4.2Å; K159-Q163 WeakPolarHBondContact O-CB 3.25Å; K159-Q163 PolarHBondContact O-N 2.89Å; S160-Q163 PolarHBondContact O-N 3.48Å; L161-Q163 VanDerWaalsContact C-N 3.35Å; Q163-S165 VanDerWaalsContact C-N 3.34Å; Q163-S165 PolarHBondContact O-N 3.3Å; Q163-S166 PolarHBondContact O-N 2.75Å; Q163-E167 WeakPolarHBondContact O-CB 3.06Å; Q163-E167 PolarHBondContact O-N 3.35Å
164A88.5Confident84Confident0 Ų069.9 Ų69.90%037%0.367CS..Hα-helixtrans-60.4-42.3175.300000112.4V142 L145 Y149 S160 L161 M168V142-A164 HydrophobicContact CG1-CB 4.28Å; L145-A164 HydrophobicContact CB-CB 3.7Å; Y149-A164 HydrophobicContact CD2-CB 4.28Å; S160-A164 VanDerWaalsContact O-CB 3.29Å; S160-A164 WeakPolarHBondContact O-CB 3.41Å; S160-A164 PolarHBondContact O-N 2.98Å; L161-A164 PolarHBondContact O-N 3.05Å; A164-M168 VanDerWaalsContact O-CB 3.25Å; A164-M168 WeakPolarHBondContact O-CB 3.33Å; A164-M168 PolarHBondContact O-N 3.47Å
165S88.4Confident83.9Confident45 Ų4567.6 Ų67.632%0.31535%0.354SS..Hα-helixtrans-68-39.9178.7-56.90000111.8L161 Y162 Q163 T169L161-S165 VanDerWaalsContact O-CB 3.3Å; L161-S165 WeakPolarHBondContact O-CB 3.41Å; L161-S165 PolarHBondContact O-N 2.77Å; L161-S165 PolarHBondContact O-OG 2.92Å; Y162-S165 PolarHBondContact O-N 2.94Å; Q163-S165 VanDerWaalsContact C-N 3.34Å; Q163-S165 PolarHBondContact O-N 3.3Å; S165-T169 WeakPolarHBondContact O-CB 3.3Å; S165-T169 PolarHBondContact O-N 3.36Å; S165-T169 PolarHBondContact O-OG1 2.86Å
166S87Confident83.7Confident63 Ų6370.2 Ų70.244%0.44137%0.37SS..Hα-helixtrans-65.4-45.3176.2179.30000111.4Y162 Q163 T169 N170Y162-S166 VanDerWaalsContact O-CB 3.31Å; Y162-S166 WeakPolarHBondContact O-CB 3.46Å; Y162-S166 PolarHBondContact O-N 3.36Å; Q163-S166 PolarHBondContact O-N 2.75Å; S166-T169 WeakPolarHBondContact O-CB 3.11Å; S166-T169 PolarHBondContact O-N 3.31Å; S166-N170 WeakPolarHBondContact O-CB 3.35Å; S166-N170 PolarHBondContact O-N 3.43Å; S166-N170 PolarHBondContact O-OD1 3Å
167E84.3Confident82.7Confident31 Ų3175.3 Ų75.315%0.14538%0.379CS..Hα-helixtrans-67-38.6177-176.6177.7160.700112.5Y149 Q163 T169 N170 S171 P179 W184Y149-E167 WeakPolarHBondContact CE2-OE2 3.33Å; Y149-E167 VanDerWaalsContact OH-CD 3.32Å; Y149-E167 PolarHBondContact OH-OE1 3.26Å; Y149-E167 PolarHBondContact OH-OE2 3.08Å; Q163-E167 WeakPolarHBondContact O-CB 3.06Å; Q163-E167 PolarHBondContact O-N 3.35Å; E167-T169 VanDerWaalsContact C-N 3.33Å; E167-N170 PolarHBondContact O-N 3.44Å; E167-S171 VanDerWaalsContact O-CB 3.24Å; E167-S171 WeakPolarHBondContact O-CB 3.26Å; E167-S171 PolarHBondContact O-N 3.5Å; E167-S171 PolarHBondContact O-OG 3.45Å; E167-P179 WeakPolarHBondContact OE1-CG 3.37Å; E167-W184 HydrophobicContact CG-CZ2 4.08Å
168M84.2Confident81.5Confident17 Ų1775.5 Ų75.58%0.08437%0.374CS..Hα-helixtrans-60.7-44.9172.6-173.865.2175.900110.9I138 V142 A164 S171 C172 W184I138-M168 HydrophobicContact CB-CE 4.38Å; I138-M168 HydrophobicContact CG1-CE 4.15Å; I138-M168 HydrophobicContact CG2-CE 4.15Å; V142-M168 HydrophobicContact CG2-CB 3.91Å; V142-M168 HydrophobicContact CG2-CG 3.8Å; A164-M168 VanDerWaalsContact O-CB 3.25Å; A164-M168 WeakPolarHBondContact O-CB 3.33Å; A164-M168 PolarHBondContact O-N 3.47Å; M168-S171 PolarHBondContact O-N 3Å; M168-C172 VanDerWaalsContact O-CB 3.28Å; M168-C172 WeakPolarHBondContact O-CB 3.23Å; M168-C172 PolarHBondContact O-N 3.16Å; M168-C172 PolarHBondContact O-SG 3.16Å; M168-W184 HydrophobicContact SD-CH2 4.05Å; M168-W184 HydrophobicContact SD-CZ3 4.24Å
169T84.7Confident80.4Confident65 Ų6572.6 Ų72.640%0.39936%0.356SS..Hα-helixtrans-61.3-51.7176.2-58.80000110.6S165 S166 E167 S171 C172 F173S165-T169 WeakPolarHBondContact O-CB 3.3Å; S165-T169 PolarHBondContact O-N 3.36Å; S165-T169 PolarHBondContact O-OG1 2.86Å; S166-T169 WeakPolarHBondContact O-CB 3.11Å; S166-T169 PolarHBondContact O-N 3.31Å; E167-T169 VanDerWaalsContact C-N 3.33Å; T169-S171 VanDerWaalsContact C-N 3.27Å; T169-S171 PolarHBondContact O-N 3.32Å; T169-C172 PolarHBondContact O-N 2.74Å; T169-F173 HydrophobicContact CG2-CD2 3.66Å; T169-F173 HydrophobicContact CG2-CE2 3.87Å; T169-F173 VanDerWaalsContact O-CD2 3.24Å; T169-F173 WeakPolarHBondContact O-CD2 3.45Å; T169-F173 PolarHBondContact O-N 2.98Å
170N83.2Confident79.2Confident40 Ų4079.1 Ų79.121%0.21438%0.378CS..Hα-helixtrans-61.7-36-179.4-70.91.8000112.1S166 E167 L174 F175 D176S166-N170 WeakPolarHBondContact O-CB 3.35Å; S166-N170 PolarHBondContact O-N 3.43Å; S166-N170 PolarHBondContact O-OD1 3Å; E167-N170 PolarHBondContact O-N 3.44Å; N170-L174 CarbonylContact O-C 3.47Å; N170-L174 WeakPolarHBondContact O-CA 3.48Å; N170-L174 PolarHBondContact O-N 3.16Å; N170-F175 HydrophobicContact CB-CB 4.38Å; N170-F175 PolarHBondContact O-N 3.45Å; N170-D176 HydrophobicContact CB-CB 4.27Å; N170-D176 PolarHBondContact ND2-OD2 3.03Å
171S80.1Confident78.3Confident5 Ų582.9 Ų82.94%0.03539%0.394CS..Hα-helixtrans-73.2-41.6177.3-59.10000112.2E167 M168 T169 F173 L174 W184E167-S171 VanDerWaalsContact O-CB 3.24Å; E167-S171 WeakPolarHBondContact O-CB 3.26Å; E167-S171 PolarHBondContact O-N 3.5Å; E167-S171 PolarHBondContact O-OG 3.45Å; M168-S171 PolarHBondContact O-N 3Å; T169-S171 VanDerWaalsContact C-N 3.27Å; T169-S171 PolarHBondContact O-N 3.32Å; S171-F173 PolarHBondContact O-N 2.78Å; S171-L174 PolarHBondContact O-N 2.84Å; S171-W184 VanDerWaalsContact OG-CH2 3.3Å; S171-W184 WeakPolarHBondContact OG-CH2 3.47Å; S171-W184 WeakPolarHBondContact OG-CZ3 3.48Å
172C77.9Confident77.2Confident44 Ų4486.3 Ų86.330%0.29741%0.406SS..Hα-helixtrans-63.3-39.2175.9-76.40000112.7M168 T169M168-C172 VanDerWaalsContact O-CB 3.28Å; M168-C172 WeakPolarHBondContact O-CB 3.23Å; M168-C172 PolarHBondContact O-N 3.16Å; M168-C172 PolarHBondContact O-SG 3.16Å; T169-C172 PolarHBondContact O-N 2.74Å
173F76.5Confident76.3Confident137 Ų13784.8 Ų84.860%0.60140%0.402SS*.THydrogen-bonded Turntrans-90.4-1.2178.8-70.5-72.2000114T169 S171 F175T169-F173 HydrophobicContact CG2-CD2 3.66Å; T169-F173 HydrophobicContact CG2-CE2 3.87Å; T169-F173 VanDerWaalsContact O-CD2 3.24Å; T169-F173 WeakPolarHBondContact O-CD2 3.45Å; T169-F173 PolarHBondContact O-N 2.98Å; S171-F173 PolarHBondContact O-N 2.78Å; F173-F175 HydrophobicContact CB-CD1 4.19Å; F173-F175 HydrophobicContact CB-CD2 3.59Å; F173-F175 HydrophobicContact CB-CE1 3.99Å; F173-F175 HydrophobicContact CB-CE2 3.35Å; F173-F175 HydrophobicContact CB-CG 4Å; F173-F175 HydrophobicContact CB-CZ 3.57Å; F173-F175 HydrophobicContact CD1-CZ 4.45Å; F173-F175 HydrophobicContact CD2-CE2 4.11Å; F173-F175 HydrophobicContact CG-CD2 4.43Å; F173-F175 AromaticContact CG-CE2 3.81Å; F173-F175 HydrophobicContact CG-CE2 3.81Å; F173-F175 HydrophobicContact CG-CZ 4.02Å; F173-F175 PolarHBondContact O-N 2.88Å
174L75Confident75.6Confident109 Ų10981.6 Ų81.657%0.57139%0.387SS*.THydrogen-bonded Turntrans55.533.5-176.9-57.3169.7000113.1N170 S171 L188N170-L174 CarbonylContact O-C 3.47Å; N170-L174 WeakPolarHBondContact O-CA 3.48Å; N170-L174 PolarHBondContact O-N 3.16Å; S171-L174 PolarHBondContact O-N 2.84Å; L174-L188 HydrophobicContact CD2-CD2 3.99Å
175F74.4Confident74.9Confident141 Ų14185.5 Ų85.562%0.61841%0.407SS*.  trans-73.5-31.8176.3-65.3-37.4000112.2N170 F173N170-F175 HydrophobicContact CB-CB 4.38Å; N170-F175 PolarHBondContact O-N 3.45Å; F173-F175 HydrophobicContact CB-CD1 4.19Å; F173-F175 HydrophobicContact CB-CD2 3.59Å; F173-F175 HydrophobicContact CB-CE1 3.99Å; F173-F175 HydrophobicContact CB-CE2 3.35Å; F173-F175 HydrophobicContact CB-CG 4Å; F173-F175 HydrophobicContact CB-CZ 3.57Å; F173-F175 HydrophobicContact CD1-CZ 4.45Å; F173-F175 HydrophobicContact CD2-CE2 4.11Å; F173-F175 HydrophobicContact CG-CD2 4.43Å; F173-F175 AromaticContact CG-CE2 3.81Å; F173-F175 HydrophobicContact CG-CE2 3.81Å; F173-F175 HydrophobicContact CG-CZ 4.02Å; F173-F175 PolarHBondContact O-N 2.88Å
176D69.7Low74.5Confident100 Ų10086.7 Ų86.754%0.53542%0.415SS..SBendtrans-124.8161176.8-78.5-44000111.7N170 P178N170-D176 HydrophobicContact CB-CB 4.27Å; N170-D176 PolarHBondContact ND2-OD2 3.03Å; D176-P178 WeakPolarHBondContact O-CD 3.43Å
177R64.9Low74.3Confident241 Ų24184.8 Ų84.891%0.90941%0.405SS*.PPolyproline II helixtrans-62.7121.4174.2-69.9-179.5-179155.30.9108.8
178P62.7Low74Confident41 Ų4185.7 Ų85.727%0.26641%0.41SS..PPolyproline II helixtrans-60.7142.8-179.724.1-32.7000109.7D176 R180 L188D176-P178 WeakPolarHBondContact O-CD 3.43Å; P178-R180 PolarHBondContact O-N 2.83Å; P178-L188 HydrophobicContact CB-CD1 3.99Å; P178-L188 HydrophobicContact CB-CD2 4.31Å; P178-L188 HydrophobicContact CB-CG 4.47Å; P178-L188 HydrophobicContact CG-CD1 3.65Å; P178-L188 HydrophobicContact CG-CD2 4.16Å; P178-L188 HydrophobicContact CG-CG 4.43Å
179P63.8Low74Confident37 Ų3792.2 Ų92.224%0.2444%0.438CS..PPolyproline II helixtrans-59.3136.2178.7-15.225.2000109.6E167 K181 W184E167-P179 WeakPolarHBondContact OE1-CG 3.37Å; P179-K181 PolarHBondContact O-N 2.82Å; P179-W184 HydrophobicContact CB-CG 4.47Å; P179-W184 HydrophobicContact CG-CD2 4.38Å; P179-W184 HydrophobicContact CG-CG 4.29Å; P179-W184 HydrophobicContact CG-CZ2 4.3Å; P179-W184 VanDerWaalsContact CG-NE1 3.32Å; P179-W184 WeakPolarHBondContact O-CB 3.39Å
180R63.2Low74.1Confident254 Ų25493 Ų9396%0.95844%0.436SS*.SBendtrans-71.637.8-178.2-63.4-177.3176.8-178.4-1.5113.8P178P178-R180 PolarHBondContact O-N 2.83Å
181K70.4Confident74.2Confident79 Ų7993.1 Ų93.134%0.34344%0.437SS..SBendtrans-96.8141.8174.3-57.7178.6177.9173.80109.1Y148 P179 F183 W184Y148-K181 PolarHBondContact OH-NZ 2.95Å; P179-K181 PolarHBondContact O-N 2.82Å; K181-F183 PolarHBondContact O-N 2.9Å; K181-F183 VanDerWaalsContact O-N 3.09Å; K181-W184 WeakPolarHBondContact O-CB 3.25Å; K181-W184 PolarHBondContact O-N 2.85Å
182F66.1Low74.5Confident156 Ų15695.2 Ų95.268%0.68446%0.455SS*.Hα-helixtrans-52.4-36.4-176.7-172.8-98000113.8W184 I185 C186F182-W184 PolarHBondContact O-N 3.46Å; F182-I185 WeakPolarHBondContact O-CB 3.43Å; F182-I185 PolarHBondContact O-N 2.87Å; F182-C186 PolarHBondContact O-N 3.05Å
183F69.9Low75.2Confident100 Ų10096 Ų9644%0.43946%0.464SS..Hα-helixtrans-51.4-40.1174-178.4-101.3000113K181 G187K181-F183 PolarHBondContact O-N 2.9Å; K181-F183 VanDerWaalsContact O-N 3.09Å; F183-G187 PolarHBondContact O-N 3.11Å
184W72.4Confident75.8Confident8 Ų891.3 Ų91.33%0.0345%0.445CS..Hα-helixtrans-74.2-28.7178.5-71.7108.3000112.9L145 E167 M168 S171 P179 K181 F182 G187 L188L145-W184 HydrophobicContact CD1-CH2 3.9Å; L145-W184 HydrophobicContact CD1-CZ2 3.56Å; L145-W184 HydrophobicContact CD2-CZ2 4.06Å; L145-W184 HydrophobicContact CG-CZ2 4.45Å; E167-W184 HydrophobicContact CG-CZ2 4.08Å; M168-W184 HydrophobicContact SD-CH2 4.05Å; M168-W184 HydrophobicContact SD-CZ3 4.24Å; S171-W184 VanDerWaalsContact OG-CH2 3.3Å; S171-W184 WeakPolarHBondContact OG-CH2 3.47Å; S171-W184 WeakPolarHBondContact OG-CZ3 3.48Å; P179-W184 HydrophobicContact CB-CG 4.47Å; P179-W184 HydrophobicContact CG-CD2 4.38Å; P179-W184 HydrophobicContact CG-CG 4.29Å; P179-W184 HydrophobicContact CG-CZ2 4.3Å; P179-W184 VanDerWaalsContact CG-NE1 3.32Å; P179-W184 WeakPolarHBondContact O-CB 3.39Å; K181-W184 WeakPolarHBondContact O-CB 3.25Å; K181-W184 PolarHBondContact O-N 2.85Å; F182-W184 PolarHBondContact O-N 3.46Å; W184-G187 PolarHBondContact O-N 2.83Å; W184-L188 VanDerWaalsContact O-CB 3.3Å; W184-L188 WeakPolarHBondContact O-CB 3.29Å; W184-L188 WeakPolarHBondContact O-CD1 3.38Å; W184-L188 WeakPolarHBondContact O-CG 3.4Å; W184-L188 PolarHBondContact O-N 3.31Å
185I75.3Confident76.5Confident83 Ų8392.5 Ų92.543%0.42645%0.446SS..Hα-helixtrans-64.3-49.8176.4-59.6176.3000109.6F182 G187 L188 F189F182-I185 WeakPolarHBondContact O-CB 3.43Å; F182-I185 PolarHBondContact O-N 2.87Å; I185-G187 VanDerWaalsContact C-N 3.34Å; I185-G187 PolarHBondContact O-N 3.1Å; I185-L188 PolarHBondContact O-N 3.05Å; I185-F189 HydrophobicContact CG2-CD2 4.12Å; I185-F189 HydrophobicContact CG2-CE2 3.82Å; I185-F189 VanDerWaalsContact O-CD2 3.23Å; I185-F189 WeakPolarHBondContact O-CD2 3.29Å; I185-F189 PolarHBondContact O-N 3.31Å
186C79.3Confident77.4Confident70 Ų7090.4 Ų90.447%0.47344%0.444SS..Hα-helixtrans-62.1-42.4175.1-64.90000111.8F182 L188 F189 F190F182-C186 PolarHBondContact O-N 3.05Å; C186-L188 VanDerWaalsContact C-N 3.32Å; C186-L188 PolarHBondContact O-N 3.17Å; C186-F189 PolarHBondContact O-N 2.98Å; C186-F190 WeakPolarHBondContact O-CB 3.46Å; C186-F190 PolarHBondContact O-N 3.05Å
187G81.6Confident78.4Confident22 Ų2287.8 Ų87.823%0.22744%0.436CS..Hα-helixtrans-60-38.8175.600000113.2F183 W184 I185 F190 L191F183-G187 PolarHBondContact O-N 3.11Å; W184-G187 PolarHBondContact O-N 2.83Å; I185-G187 VanDerWaalsContact C-N 3.34Å; I185-G187 PolarHBondContact O-N 3.1Å; G187-F190 PolarHBondContact O-N 3.23Å; G187-L191 WeakPolarHBondContact O-CB 3.38Å; G187-L191 VanDerWaalsContact O-CG 3.27Å; G187-L191 WeakPolarHBondContact O-CG 3.22Å; G187-L191 PolarHBondContact O-N 3.3Å
188L78.6Confident79.7Confident50 Ų5079 Ų7926%0.26240%0.404SS..Hα-helixtrans-66.2-43.6177.6-75.5165.4000111.9L174 P178 W184 I185 C186 F190 L191 A192L174-L188 HydrophobicContact CD2-CD2 3.99Å; P178-L188 HydrophobicContact CB-CD1 3.99Å; P178-L188 HydrophobicContact CB-CD2 4.31Å; P178-L188 HydrophobicContact CB-CG 4.47Å; P178-L188 HydrophobicContact CG-CD1 3.65Å; P178-L188 HydrophobicContact CG-CD2 4.16Å; P178-L188 HydrophobicContact CG-CG 4.43Å; W184-L188 VanDerWaalsContact O-CB 3.3Å; W184-L188 WeakPolarHBondContact O-CB 3.29Å; W184-L188 WeakPolarHBondContact O-CD1 3.38Å; W184-L188 WeakPolarHBondContact O-CG 3.4Å; W184-L188 PolarHBondContact O-N 3.31Å; I185-L188 PolarHBondContact O-N 3.05Å; C186-L188 VanDerWaalsContact C-N 3.32Å; C186-L188 PolarHBondContact O-N 3.17Å; L188-F190 VanDerWaalsContact C-N 3.33Å; L188-F190 PolarHBondContact O-N 2.82Å; L188-L191 PolarHBondContact O-N 2.99Å; L188-A192 VanDerWaalsContact O-CB 3.23Å; L188-A192 WeakPolarHBondContact O-CB 3.38Å; L188-A192 PolarHBondContact O-N 3.11Å
189F84.3Confident81.1Confident154 Ų15479.5 Ų79.568%0.67541%0.406SS*.Hα-helixtrans-62.5-41.8174.8-79.1-71.1000111.7I185 C186 A192 A193I185-F189 HydrophobicContact CG2-CD2 4.12Å; I185-F189 HydrophobicContact CG2-CE2 3.82Å; I185-F189 VanDerWaalsContact O-CD2 3.23Å; I185-F189 WeakPolarHBondContact O-CD2 3.29Å; I185-F189 PolarHBondContact O-N 3.31Å; C186-F189 PolarHBondContact O-N 2.98Å; F189-A192 PolarHBondContact O-N 3.13Å; F189-A193 WeakPolarHBondContact O-CB 3.31Å; F189-A193 PolarHBondContact O-N 3.3Å
190F87Confident82.4Confident81 Ų8181.6 Ų81.636%0.35542%0.418SS..Hα-helixtrans-62.2-48.8176.6177.6-107.5000112.3L134 I137 C186 G187 L188 A192 A193 I194L134-F190 HydrophobicContact CD2-CE1 4.06Å; L134-F190 HydrophobicContact CD2-CZ 3.58Å; I137-F190 HydrophobicContact CD1-CE1 4.37Å; I137-F190 HydrophobicContact CD1-CE2 4.3Å; I137-F190 HydrophobicContact CD1-CZ 3.66Å; I137-F190 HydrophobicContact CG2-CE1 3.97Å; I137-F190 HydrophobicContact CG2-CZ 4.32Å; C186-F190 WeakPolarHBondContact O-CB 3.46Å; C186-F190 PolarHBondContact O-N 3.05Å; G187-F190 PolarHBondContact O-N 3.23Å; L188-F190 VanDerWaalsContact C-N 3.33Å; L188-F190 PolarHBondContact O-N 2.82Å; F190-A192 VanDerWaalsContact C-N 3.35Å; F190-A192 PolarHBondContact O-N 3.41Å; F190-A193 PolarHBondContact O-N 2.85Å; F190-I194 HydrophobicContact CD1-CD1 3.63Å; F190-I194 HydrophobicContact CD2-CD1 4.24Å; F190-I194 HydrophobicContact CE1-CD1 3.25Å; F190-I194 HydrophobicContact CE2-CD1 3.9Å; F190-I194 HydrophobicContact CG-CD1 4.14Å; F190-I194 HydrophobicContact CZ-CD1 3.43Å; F190-I194 VanDerWaalsContact CZ-CD1 3.43Å; F190-I194 HydrophobicContact CZ-CG1 4.45Å; F190-I194 WeakPolarHBondContact O-CG1 3.19Å; F190-I194 PolarHBondContact O-N 2.72Å
191L84.8Confident83.7Confident43 Ų4372.2 Ų72.223%0.22538%0.383CS..Hα-helixtrans-63.3-39.9176.9-72.4169.6000112.1G187 L188 I194 K195G187-L191 WeakPolarHBondContact O-CB 3.38Å; G187-L191 VanDerWaalsContact O-CG 3.27Å; G187-L191 WeakPolarHBondContact O-CG 3.22Å; G187-L191 PolarHBondContact O-N 3.3Å; L188-L191 PolarHBondContact O-N 2.99Å; L191-I194 PolarHBondContact O-N 3.22Å; L191-K195 VanDerWaalsContact O-CB 3.29Å; L191-K195 WeakPolarHBondContact O-CB 3.46Å; L191-K195 PolarHBondContact O-N 3.28Å
192A87.3Confident84.5Confident50 Ų5070.9 Ų70.941%0.41338%0.379SS..Hα-helixtrans-62-44.5174.500000111.4L188 F189 F190 K195 V196L188-A192 VanDerWaalsContact O-CB 3.23Å; L188-A192 WeakPolarHBondContact O-CB 3.38Å; L188-A192 PolarHBondContact O-N 3.11Å; F189-A192 PolarHBondContact O-N 3.13Å; F190-A192 VanDerWaalsContact C-N 3.35Å; F190-A192 PolarHBondContact O-N 3.41Å; A192-K195 PolarHBondContact O-N 3.03Å; A192-V196 VanDerWaalsContact O-CG2 3.28Å; A192-V196 WeakPolarHBondContact O-CG2 3.49Å; A192-V196 PolarHBondContact O-N 2.78Å
193A91.2Very high85.5Confident59 Ų5970.7 Ų70.749%0.48837%0.374SS..Hα-helixtrans-62-45.7177.200000112F189 F190 K195 V196 A197F189-A193 WeakPolarHBondContact O-CB 3.31Å; F189-A193 PolarHBondContact O-N 3.3Å; F190-A193 PolarHBondContact O-N 2.85Å; A193-K195 PolarHBondContact O-N 2.81Å; A193-V196 PolarHBondContact O-N 3.4Å; A193-A197 WeakPolarHBondContact O-CB 3.37Å; A193-A197 PolarHBondContact O-N 2.82Å
194I90.6Very high86.2Confident40 Ų4068.3 Ų68.321%0.20537%0.372CS..Hα-helixtrans-61-45.6175.8-68.9163.4000110.8F126 L134 F190 L191 V196 A197 Y198F126-I194 HydrophobicContact CE2-CG2 4.15Å; F126-I194 HydrophobicContact CZ-CG2 4.11Å; L134-I194 HydrophobicContact CD2-CD1 3.38Å; L134-I194 HydrophobicContact CD2-CG1 4.2Å; F190-I194 HydrophobicContact CD1-CD1 3.63Å; F190-I194 HydrophobicContact CD2-CD1 4.24Å; F190-I194 HydrophobicContact CE1-CD1 3.25Å; F190-I194 HydrophobicContact CE2-CD1 3.9Å; F190-I194 HydrophobicContact CG-CD1 4.14Å; F190-I194 HydrophobicContact CZ-CD1 3.43Å; F190-I194 VanDerWaalsContact CZ-CD1 3.43Å; F190-I194 HydrophobicContact CZ-CG1 4.45Å; F190-I194 WeakPolarHBondContact O-CG1 3.19Å; F190-I194 PolarHBondContact O-N 2.72Å; L191-I194 PolarHBondContact O-N 3.22Å; I194-V196 VanDerWaalsContact C-N 3.34Å; I194-V196 PolarHBondContact O-N 3.08Å; I194-A197 PolarHBondContact O-N 3.03Å; I194-Y198 WeakPolarHBondContact O-CB 3.3Å; I194-Y198 PolarHBondContact O-N 2.83Å
195K89.7Confident86.6Confident134 Ų13470.1 Ų70.158%0.58339%0.389SS*.Hα-helixtrans-60.7-44.4178.7-177.2177.7178.9177.20111.3L191 A192 A193 Y198 V199L191-K195 VanDerWaalsContact O-CB 3.29Å; L191-K195 WeakPolarHBondContact O-CB 3.46Å; L191-K195 PolarHBondContact O-N 3.28Å; A192-K195 PolarHBondContact O-N 3.03Å; A193-K195 PolarHBondContact O-N 2.81Å; K195-Y198 PolarHBondContact O-N 2.95Å; K195-V199 HydrophobicContact CG-CG2 4.3Å; K195-V199 WeakPolarHBondContact O-CB 3.32Å; K195-V199 WeakPolarHBondContact O-CG2 3.37Å; K195-V199 PolarHBondContact O-N 3.02Å
196V92.1Very high86.9Confident96 Ų9668.3 Ų68.358%0.58238%0.38SS*.Hα-helixtrans-62.4-45.9177169.90000110.9A192 A193 I194 Y198 V199 T200A192-V196 VanDerWaalsContact O-CG2 3.28Å; A192-V196 WeakPolarHBondContact O-CG2 3.49Å; A192-V196 PolarHBondContact O-N 2.78Å; A193-V196 PolarHBondContact O-N 3.4Å; I194-V196 VanDerWaalsContact C-N 3.34Å; I194-V196 PolarHBondContact O-N 3.08Å; V196-Y198 PolarHBondContact O-N 3.16Å; V196-V199 PolarHBondContact O-N 3.18Å; V196-T200 WeakPolarHBondContact O-CB 3.34Å; V196-T200 PolarHBondContact O-N 2.77Å; V196-T200 PolarHBondContact O-OG1 3.4Å
197A92.2Very high86.8Confident45 Ų4569.6 Ų69.637%0.37238%0.381SS..Hα-helixtrans-60.2-46.617700000111.7F126 A193 I194 T200 Y201F126-A197 HydrophobicContact CE1-CB 4.31Å; F126-A197 HydrophobicContact CZ-CB 4.21Å; A193-A197 WeakPolarHBondContact O-CB 3.37Å; A193-A197 PolarHBondContact O-N 2.82Å; I194-A197 PolarHBondContact O-N 3.03Å; A197-T200 PolarHBondContact O-N 3.13Å; A197-Y201 PolarHBondContact O-N 2.83Å
198Y92Very high86.5Confident58 Ų5875.9 Ų75.923%0.22740%0.399CS..Hα-helixtrans-66.8-42.9-179.4-162.4-91.9000112.6P122 P125 F126 W131 I194 K195 V196 T200 Y201 I202P122-Y198 WeakPolarHBondContact CA-OH 3.46Å; P122-Y198 WeakPolarHBondContact CB-OH 3.48Å; P122-Y198 VanDerWaalsContact O-CE2 3.28Å; P122-Y198 WeakPolarHBondContact O-CE2 3.32Å; P122-Y198 PolarHBondContact O-OH 3.36Å; P125-Y198 HydrophobicContact CB-CD2 4.17Å; P125-Y198 HydrophobicContact CB-CE2 4.48Å; P125-Y198 HydrophobicContact CG-CD2 3.35Å; P125-Y198 HydrophobicContact CG-CE2 3.25Å; P125-Y198 HydrophobicContact CG-CG 4.35Å; F126-Y198 AromaticContact CE2-CD2 3.98Å; F126-Y198 HydrophobicContact CE2-CD2 3.98Å; W131-Y198 HydrophobicContact CH2-CE2 4.11Å; W131-Y198 HydrophobicContact CZ2-CE2 4.3Å; I194-Y198 WeakPolarHBondContact O-CB 3.3Å; I194-Y198 PolarHBondContact O-N 2.83Å; K195-Y198 PolarHBondContact O-N 2.95Å; V196-Y198 PolarHBondContact O-N 3.16Å; Y198-T200 VanDerWaalsContact C-N 3.32Å; Y198-T200 PolarHBondContact O-N 3.34Å; Y198-Y201 WeakPolarHBondContact O-CB 3.35Å; Y198-Y201 PolarHBondContact O-N 2.8Å; Y198-I202 HydrophobicContact CD1-CD1 3.49Å; Y198-I202 VanDerWaalsContact CD1-CD1 3.49Å; Y198-I202 HydrophobicContact CD1-CG1 4.08Å; Y198-I202 HydrophobicContact CE1-CD1 3.52Å; Y198-I202 HydrophobicContact CE1-CG1 3.98Å; Y198-I202 WeakPolarHBondContact O-CG1 3.34Å; Y198-I202 PolarHBondContact O-N 2.99Å
199V91.5Very high86.3Confident51 Ų5174.8 Ų74.831%0.30940%0.395SS..Hα-helixtrans-64.8-37.8175.91700000111.2K195 V196 Y201 I202 R203K195-V199 HydrophobicContact CG-CG2 4.3Å; K195-V199 WeakPolarHBondContact O-CB 3.32Å; K195-V199 WeakPolarHBondContact O-CG2 3.37Å; K195-V199 PolarHBondContact O-N 3.02Å; V196-V199 PolarHBondContact O-N 3.18Å; V199-Y201 VanDerWaalsContact C-N 3.34Å; V199-I202 PolarHBondContact O-N 3.22Å; V199-R203 WeakPolarHBondContact O-CG 3.49Å; V199-R203 PolarHBondContact O-N 3.37Å
200T91.7Very high85.9Confident81 Ų8174.3 Ų74.350%0.49739%0.389SS..Hα-helixtrans-63.2-42.6175.6-570000110.8V196 A197 Y198 R203 A204V196-T200 WeakPolarHBondContact O-CB 3.34Å; V196-T200 PolarHBondContact O-N 2.77Å; V196-T200 PolarHBondContact O-OG1 3.4Å; A197-T200 PolarHBondContact O-N 3.13Å; Y198-T200 VanDerWaalsContact C-N 3.32Å; Y198-T200 PolarHBondContact O-N 3.34Å; T200-R203 PolarHBondContact O-N 3.43Å; T200-A204 WeakPolarHBondContact O-CB 3.47Å; T200-A204 PolarHBondContact O-N 2.87Å
201Y90.3Very high85.6Confident57 Ų5773 Ų7322%0.22439%0.388CS..Hα-helixtrans-61.9-47.5172.8168.8-99000112.8F120 N121 A124 P125 A197 Y198 V199 R203 A204 A205F120-Y201 HydrophobicContact CD2-CE1 4.32Å; F120-Y201 AromaticContact CE2-CD1 3.98Å; F120-Y201 HydrophobicContact CE2-CD1 3.98Å; F120-Y201 AromaticContact CE2-CE1 3.31Å; F120-Y201 HydrophobicContact CE2-CE1 3.31Å; F120-Y201 HydrophobicContact CZ-CD1 4.1Å; F120-Y201 AromaticContact CZ-CE1 3.6Å; F120-Y201 HydrophobicContact CZ-CE1 3.6Å; N121-Y201 PolarHBondContact O-OH 3.45Å; A124-Y201 HydrophobicContact CB-CE1 4.5Å; A124-Y201 HydrophobicContact CB-CE2 4.21Å; A124-Y201 VanDerWaalsContact CB-OH 3.3Å; A124-Y201 WeakPolarHBondContact CB-OH 3.45Å; P125-Y201 HydrophobicContact CB-CD1 3.67Å; P125-Y201 HydrophobicContact CB-CD2 4.04Å; P125-Y201 HydrophobicContact CB-CE1 4.38Å; P125-Y201 HydrophobicContact CB-CG 3.5Å; P125-Y201 VanDerWaalsContact CB-CG 3.5Å; P125-Y201 HydrophobicContact CG-CD1 3.41Å; P125-Y201 VanDerWaalsContact CG-CD1 3.41Å; P125-Y201 HydrophobicContact CG-CE1 3.88Å; P125-Y201 HydrophobicContact CG-CG 3.82Å; A197-Y201 PolarHBondContact O-N 2.83Å; Y198-Y201 WeakPolarHBondContact O-CB 3.35Å; Y198-Y201 PolarHBondContact O-N 2.8Å; V199-Y201 VanDerWaalsContact C-N 3.34Å; Y201-R203 VanDerWaalsContact C-N 3.26Å; Y201-R203 PolarHBondContact O-N 3.27Å; Y201-A204 PolarHBondContact O-N 3.31Å; Y201-A204 VanDerWaalsContact O-N 3.16Å; Y201-A205 HydrophobicContact CE1-CB 4.3Å; Y201-A205 HydrophobicContact CE2-CB 4.15Å; Y201-A205 VanDerWaalsContact O-CB 3.31Å; Y201-A205 WeakPolarHBondContact O-CB 3.15Å; Y201-A205 PolarHBondContact O-N 3.36Å
202I87.6Confident85.6Confident50 Ų5073.9 Ų73.926%0.25639%0.391SS..Hα-helixtrans-55.7-46.3177.4-68.8161.3000110.2F120 Y198 V199 A205 L206F120-I202 HydrophobicContact CE1-CG1 4.47Å; F120-I202 HydrophobicContact CE2-CG1 4.23Å; F120-I202 HydrophobicContact CZ-CB 4.37Å; F120-I202 HydrophobicContact CZ-CG1 3.63Å; Y198-I202 HydrophobicContact CD1-CD1 3.49Å; Y198-I202 VanDerWaalsContact CD1-CD1 3.49Å; Y198-I202 HydrophobicContact CD1-CG1 4.08Å; Y198-I202 HydrophobicContact CE1-CD1 3.52Å; Y198-I202 HydrophobicContact CE1-CG1 3.98Å; Y198-I202 WeakPolarHBondContact O-CG1 3.34Å; Y198-I202 PolarHBondContact O-N 2.99Å; V199-I202 PolarHBondContact O-N 3.22Å; I202-A205 PolarHBondContact O-N 2.92Å; I202-L206 HydrophobicContact CG2-CD1 3.62Å; I202-L206 HydrophobicContact CG2-CG 4.24Å; I202-L206 VanDerWaalsContact O-CB 3.3Å; I202-L206 WeakPolarHBondContact O-CB 3.18Å; I202-L206 WeakPolarHBondContact O-CG 3.47Å; I202-L206 PolarHBondContact O-N 3.29Å
203R85.9Confident85.7Confident153 Ų15378.8 Ų78.858%0.57740%0.399SS*.Hα-helixtrans-60.9-48.1177.3-73.2176177.9-179.2-1.4111.2V199 T200 Y201 A205 L207V199-R203 WeakPolarHBondContact O-CG 3.49Å; V199-R203 PolarHBondContact O-N 3.37Å; T200-R203 PolarHBondContact O-N 3.43Å; Y201-R203 VanDerWaalsContact C-N 3.26Å; Y201-R203 PolarHBondContact O-N 3.27Å; R203-A205 VanDerWaalsContact C-N 3.34Å; R203-A205 PolarHBondContact O-N 3.48Å; R203-L207 HydrophobicContact CB-CD1 4.14Å; R203-L207 HydrophobicContact CG-CD1 4.15Å; R203-L207 WeakPolarHBondContact O-CA 3.43Å; R203-L207 WeakPolarHBondContact O-CB 3.5Å; R203-L207 PolarHBondContact O-N 3.02Å
204A84.2Confident85.8Confident49 Ų4976.8 Ų76.841%0.40538%0.383SS..Hα-helixtrans-59.4-43.7177.400000112.3T200 Y201 Y208T200-A204 WeakPolarHBondContact O-CB 3.47Å; T200-A204 PolarHBondContact O-N 2.87Å; Y201-A204 PolarHBondContact O-N 3.31Å; Y201-A204 VanDerWaalsContact O-N 3.16Å; A204-Y208 WeakPolarHBondContact O-CB 3.47Å; A204-Y208 PolarHBondContact O-N 3.24Å
205A82.1Confident85.9Confident46 Ų4676.8 Ų76.838%0.3839%0.386SS..Hα-helixtrans-77.5-29-175.400000114F120 Y201 I202 R203F120-A205 HydrophobicContact CD2-CB 3.75Å; F120-A205 HydrophobicContact CE2-CB 3.73Å; Y201-A205 HydrophobicContact CE1-CB 4.3Å; Y201-A205 HydrophobicContact CE2-CB 4.15Å; Y201-A205 VanDerWaalsContact O-CB 3.31Å; Y201-A205 WeakPolarHBondContact O-CB 3.15Å; Y201-A205 PolarHBondContact O-N 3.36Å; I202-A205 PolarHBondContact O-N 2.92Å; R203-A205 VanDerWaalsContact C-N 3.34Å; R203-A205 PolarHBondContact O-N 3.48Å
206L79.8Confident86.2Confident46 Ų4670.4 Ų70.424%0.24136%0.358CS..Hα-helixtrans-100.8-28.8-177.5-66.1-177.6000114.2F120 I202 I377 H381F120-L206 HydrophobicContact CB-CD2 3.94Å; F120-L206 HydrophobicContact CD2-CD2 3.92Å; F120-L206 HydrophobicContact CD2-CG 4.1Å; F120-L206 HydrophobicContact CG-CD2 4.04Å; I202-L206 HydrophobicContact CG2-CD1 3.62Å; I202-L206 HydrophobicContact CG2-CG 4.24Å; I202-L206 VanDerWaalsContact O-CB 3.3Å; I202-L206 WeakPolarHBondContact O-CB 3.18Å; I202-L206 WeakPolarHBondContact O-CG 3.47Å; I202-L206 PolarHBondContact O-N 3.29Å; L206-I377 HydrophobicContact CB-CD1 4.3Å; L206-H381 HydrophobicContact CD2-CB 4.43Å
207L78.3Confident86.3Confident97 Ų9772.1 Ų72.151%0.50835%0.354SS..Hα-helixtrans-102.8-27.3-174.9-57.2174.6000113R203 I377R203-L207 HydrophobicContact CB-CD1 4.14Å; R203-L207 HydrophobicContact CG-CD1 4.15Å; R203-L207 WeakPolarHBondContact O-CA 3.43Å; R203-L207 WeakPolarHBondContact O-CB 3.5Å; R203-L207 PolarHBondContact O-N 3.02Å; L207-I377 HydrophobicContact CD2-CD1 4.26Å
208Y74.9Confident86.4Confident153 Ų15371.5 Ų71.560%0.634%0.344SS*.SBendtrans-105.6128.7-178.5-67-88.6000110.9A204 R210A204-Y208 WeakPolarHBondContact O-CB 3.47Å; A204-Y208 PolarHBondContact O-N 3.24Å; Y208-R210 PolarHBondContact O-N 3.29Å
209P74.2Confident86.6Confident27 Ų2768.8 Ų68.818%0.17533%0.334CS..PPolyproline II helixtrans-61.8135.3171.226-32.4000109P211 L367 S369P209-P211 WeakPolarHBondContact O-CD 3.43Å; P209-L367 HydrophobicContact CB-CB 4Å; P209-L367 HydrophobicContact CB-CD2 4.43Å; P209-L367 HydrophobicContact CG-CB 4.15Å; P209-L367 HydrophobicContact CG-CD1 4Å; P209-L367 HydrophobicContact CG-CD2 4.01Å; P209-L367 HydrophobicContact CG-CG 4.27Å; P209-S369 WeakPolarHBondContact CB-OG 3.17Å
210R75.7Confident86.8Confident144 Ų14469 Ų6954%0.54333%0.333SS..PPolyproline II helixtrans-64.4121-179.8-173.3176.1-179.2171.9-1.6109.4Y208 F212 G368Y208-R210 PolarHBondContact O-N 3.29Å; R210-F212 HydrophobicContact CB-CE2 4.41Å; R210-F212 HydrophobicContact CG-CE2 4.29Å; R210-G368 WeakPolarHBondContact O-CA 3.35Å; R210-G368 PolarHBondContact O-N 3.36Å
211P80.9Confident87.1Confident53 Ų5369.1 Ų69.134%0.34433%0.328SS..EExtended strand (participates in β ladder)trans-70.9133.4175.529.6-34000109.8P209 Y213 M365P209-P211 WeakPolarHBondContact O-CD 3.43Å; P211-Y213 HydrophobicContact CB-CE2 4.13Å; P211-Y213 HydrophobicContact CG-CE2 4.16Å; P211-M365 HydrophobicContact CB-CG 3.78Å; P211-M365 HydrophobicContact CB-SD 3.32Å; P211-M365 WeakPolarHBondContact CB-SD 3.33Å
212F85.2Confident87.4Confident62 Ų6266.4 Ų66.427%0.27232%0.317SS..EExtended strand (participates in β ladder)trans-111.2113.1168.8-81.9-96000108.1P113 F115 R210 W308 M365 L366P113-F212 HydrophobicContact CB-CD1 4.38Å; P113-F212 HydrophobicContact CG-CB 4.39Å; P113-F212 HydrophobicContact CG-CD1 4.36Å; P113-F212 HydrophobicContact CG-CG 4.43Å; F115-F212 AromaticContact CD1-CD2 3.72Å; F115-F212 HydrophobicContact CD1-CD2 3.72Å; F115-F212 AromaticContact CD1-CE2 3.47Å; F115-F212 HydrophobicContact CD1-CE2 3.47Å; F115-F212 VanDerWaalsContact CD1-CE2 3.47Å; F115-F212 HydrophobicContact CD1-CG 4.4Å; F115-F212 HydrophobicContact CD1-CZ 4Å; F115-F212 HydrophobicContact CE1-CB 4.14Å; F115-F212 HydrophobicContact CE1-CD1 4.27Å; F115-F212 AromaticContact CE1-CD2 3.22Å; F115-F212 HydrophobicContact CE1-CD2 3.22Å; F115-F212 AromaticContact CE1-CE2 3.51Å; F115-F212 HydrophobicContact CE1-CE2 3.51Å; F115-F212 AromaticContact CE1-CG 3.63Å; F115-F212 HydrophobicContact CE1-CG 3.63Å; F115-F212 HydrophobicContact CE1-CZ 4.17Å; F115-F212 HydrophobicContact CZ-CD2 4.2Å; R210-F212 HydrophobicContact CB-CE2 4.41Å; R210-F212 HydrophobicContact CG-CE2 4.29Å; F212-W308 WeakPolarHBondContact O-CH2 3.06Å; F212-M365 CarbonylContact O-C 3.6Å; F212-M365 VanDerWaalsContact O-CA 3.29Å; F212-M365 WeakPolarHBondContact O-CA 3.47Å; F212-L366 HydrophobicContact CB-CB 4.5Å; F212-L366 PolarHBondContact N-O 3.06Å; F212-L366 PolarHBondContact O-N 2.72Å
213Y90.3Very high87.9Confident153 Ų15364 Ų6460%0.631%0.305SS*.EExtended strand (participates in β ladder)trans-84148177.6-61.2-79.9000110.6P211 W308 M365P211-Y213 HydrophobicContact CB-CE2 4.13Å; P211-Y213 HydrophobicContact CG-CE2 4.16Å; Y213-W308 WeakPolarHBondContact O-CH2 3.28Å; Y213-M365 HydrophobicContact CD1-CB 4.29Å; Y213-M365 HydrophobicContact CD1-CG 4.22Å; Y213-M365 HydrophobicContact CE1-CB 4.46Å; Y213-M365 HydrophobicContact CE1-CG 4.15Å; Y213-M365 HydrophobicContact CE1-SD 3.88Å
214A92.6Very high88.4Confident18 Ų1860.8 Ų60.815%0.14930%0.303CS..  trans-55.9140.2171.700000110F216 W308 I310 P364A214-F216 WeakPolarHBondContact CB-O 3.16Å; A214-F216 PolarHBondContact O-N 2.8Å; A214-W308 HydrophobicContact CB-CH2 4.08Å; A214-W308 HydrophobicContact CB-CZ2 3.8Å; A214-I310 HydrophobicContact CB-CD1 3.72Å; A214-I310 HydrophobicContact CB-CG1 3.97Å; A214-I310 HydrophobicContact CB-CG2 4.36Å; A214-P364 PolarHBondContact N-O 3.01Å
215P93.7Very high89.1Confident39 Ų3960.5 Ų60.525%0.25329%0.293SS..SBendtrans-66.1-19.9-178.427-35.7000113.6I110 Y231I110-P215 HydrophobicContact CD1-CG 3.67Å; P215-Y231 HydrophobicContact CB-CE2 3.88Å; P215-Y231 WeakPolarHBondContact CB-OH 3.08Å; P215-Y231 HydrophobicContact CG-CE1 4.48Å; P215-Y231 HydrophobicContact CG-CE2 4.29Å; P215-Y231 WeakPolarHBondContact CG-OH 3.29Å
216F94.9Very high89.8Confident0 Ų058.6 Ų58.60%028%0.276CS..  trans-154.9154.917644.6-99.2000108.5F108 I110 A214 E221 L222 Q225 Y231 V286 I310F108-F216 HydrophobicContact CB-CE2 3.57Å; F108-F216 HydrophobicContact CB-CZ 4.28Å; F108-F216 AromaticContact CD2-CD2 3.72Å; F108-F216 HydrophobicContact CD2-CD2 3.72Å; F108-F216 AromaticContact CD2-CE2 3.57Å; F108-F216 HydrophobicContact CD2-CE2 3.57Å; F108-F216 HydrophobicContact CE2-CD2 4.17Å; F108-F216 HydrophobicContact CE2-CE2 4.4Å; F108-F216 HydrophobicContact CG-CD2 4.21Å; F108-F216 AromaticContact CG-CE2 3.62Å; F108-F216 HydrophobicContact CG-CE2 3.62Å; I110-F216 HydrophobicContact CG2-CZ 3.8Å; A214-F216 WeakPolarHBondContact CB-O 3.16Å; A214-F216 PolarHBondContact O-N 2.8Å; F216-E221 VanDerWaalsContact CA-OE2 3.3Å; F216-E221 WeakPolarHBondContact CA-OE2 3.27Å; F216-E221 HydrophobicContact CB-CB 3.68Å; F216-L222 HydrophobicContact CB-CB 4.44Å; F216-L222 HydrophobicContact CD1-CB 4.44Å; F216-L222 HydrophobicContact CD1-CD1 3.92Å; F216-L222 HydrophobicContact CD2-CB 4.1Å; F216-L222 HydrophobicContact CD2-CD1 4.46Å; F216-L222 HydrophobicContact CE1-CD1 3.64Å; F216-L222 HydrophobicContact CE2-CD1 4.23Å; F216-L222 HydrophobicContact CG-CB 4.06Å; F216-L222 HydrophobicContact CG-CD1 4.33Å; F216-L222 HydrophobicContact CZ-CD1 3.82Å; F216-Q225 HydrophobicContact CD1-CG 4.31Å; F216-Y231 HydrophobicContact CE1-CD1 4.27Å; F216-Y231 HydrophobicContact CE1-CD2 4.4Å; F216-Y231 HydrophobicContact CE1-CE1 4.32Å; F216-Y231 HydrophobicContact CE1-CE2 4.44Å; F216-Y231 HydrophobicContact CE1-CG 4.31Å; F216-V286 HydrophobicContact CE1-CG2 4.04Å; F216-V286 HydrophobicContact CE2-CG1 4.39Å; F216-V286 HydrophobicContact CZ-CG1 3.81Å; F216-V286 HydrophobicContact CZ-CG2 3.86Å; F216-I310 HydrophobicContact CD2-CD1 4.48Å; F216-I310 HydrophobicContact CE2-CD1 4Å; F216-I310 HydrophobicContact CZ-CD1 4.45Å
217R93.5Very high90.6Very high133 Ų13358 Ų5850%0.50228%0.277SS..SBendtrans-110.7-27.3179.9-61.3177.9178.7-167.50.8113.6E221 A311 E313R217-E221 PolarHBondContact N-OE2 3.28Å; R217-A311 VanDerWaalsContact O-O 3.06Å; R217-E313 PolarHBondContact O-N 3.31Å
218D94.7Very high91.5Very high32 Ų3256.3 Ų56.317%0.17128%0.278CS..SBendtrans-140.3173.4-175.969.932.4000111.6N220 E221 L222 D312 E313 A314D218-N220 PolarHBondContact O-N 2.74Å; D218-N220 WeakPolarHBondContact OD1-CA 3.38Å; D218-N220 VanDerWaalsContact OD1-CB 3.27Å; D218-N220 WeakPolarHBondContact OD1-CB 3.34Å; D218-N220 PolarHBondContact OD1-N 2.52Å; D218-E221 PolarHBondContact O-N 3.46Å; D218-E221 PolarHBondContact OD1-N 3.45Å; D218-L222 PolarHBondContact O-N 3.46Å; D218-D312 WeakPolarHBondContact CA-OD1 3.34Å; D218-E313 HydrophobicContact CB-CB 4.45Å; D218-A314 HydrophobicContact CB-CB 3.65Å
219I96.2Very high92.6Very high0 Ų050.1 Ų50.10%026%0.261CS..Hα-helixtrans-64.9-24.8-178.6-168.253.7000113.3F108 L222 A223 P245 A247 T251 I255 D312 A314 V315F108-I219 HydrophobicContact CE1-CD1 4.04Å; F108-I219 HydrophobicContact CZ-CB 4.16Å; F108-I219 HydrophobicContact CZ-CD1 4.43Å; I219-L222 HydrophobicContact CD1-CB 4.44Å; I219-L222 HydrophobicContact CD1-CD2 3.92Å; I219-L222 HydrophobicContact CD1-CG 4.46Å; I219-A223 WeakPolarHBondContact O-CB 3.3Å; I219-A223 PolarHBondContact O-N 3.15Å; I219-P245 HydrophobicContact CD1-CB 4.48Å; I219-P245 HydrophobicContact CD1-CG 3.66Å; I219-P245 HydrophobicContact CG1-CG 4.46Å; I219-A247 HydrophobicContact CG1-CB 3.71Å; I219-A247 HydrophobicContact CG2-CB 4Å; I219-T251 HydrophobicContact CG1-CG2 4.2Å; I219-T251 HydrophobicContact CG2-CG2 4.36Å; I219-I255 HydrophobicContact CD1-CD1 3.69Å; I219-I255 HydrophobicContact CG1-CD1 3.91Å; I219-D312 WeakPolarHBondContact CB-OD2 3.47Å; I219-D312 PolarHBondContact N-OD1 3.17Å; I219-D312 VanDerWaalsContact N-OD1 3.16Å; I219-A314 HydrophobicContact CG2-CB 4.33Å; I219-V315 HydrophobicContact CB-CG2 4.38Å; I219-V315 HydrophobicContact CG2-CG2 3.71Å
220N96.6Very high93.6Very high57 Ų5754.6 Ų54.631%0.30528%0.279SS..Hα-helixtrans-74.5-45.3179.7-53.9-56.2000110.5D218 L222 A223 V224 T251D218-N220 PolarHBondContact O-N 2.74Å; D218-N220 WeakPolarHBondContact OD1-CA 3.38Å; D218-N220 VanDerWaalsContact OD1-CB 3.27Å; D218-N220 WeakPolarHBondContact OD1-CB 3.34Å; D218-N220 PolarHBondContact OD1-N 2.52Å; N220-L222 VanDerWaalsContact C-N 3.34Å; N220-A223 WeakPolarHBondContact O-CB 3.43Å; N220-A223 PolarHBondContact O-N 3.1Å; N220-V224 WeakPolarHBondContact O-CG2 3.09Å; N220-V224 PolarHBondContact O-N 3.04Å; N220-V224 VanDerWaalsContact O-N 3.14Å; N220-T251 PolarHBondContact OD1-OG1 3.45Å
221E97Very high94.7Very high82 Ų8249.8 Ų49.838%0.38326%0.261SS..Hα-helixtrans-62-43.1172.7-70.8-173.9173.800110.8F216 R217 D218 A223 V224 Q225F216-E221 VanDerWaalsContact CA-OE2 3.3Å; F216-E221 WeakPolarHBondContact CA-OE2 3.27Å; F216-E221 HydrophobicContact CB-CB 3.68Å; R217-E221 PolarHBondContact N-OE2 3.28Å; D218-E221 PolarHBondContact O-N 3.46Å; D218-E221 PolarHBondContact OD1-N 3.45Å; E221-A223 VanDerWaalsContact C-N 3.33Å; E221-A223 PolarHBondContact O-N 3.35Å; E221-V224 PolarHBondContact O-N 3.48Å; E221-Q225 WeakPolarHBondContact O-CG 3.17Å; E221-Q225 PolarHBondContact O-N 3.01Å; E221-Q225 VanDerWaalsContact O-N 3.09Å
222L97.3Very high95.5Very high0 Ų050 Ų500%026%0.257CS..Hα-helixtrans-58.8-43.5173.817658.2000111.5F108 F216 D218 I219 N220 V224 Q225 L226 V286 V288F108-L222 HydrophobicContact CD1-CD2 3.76Å; F108-L222 HydrophobicContact CE1-CD2 3.77Å; F108-L222 HydrophobicContact CG-CD2 4.43Å; F108-L222 HydrophobicContact CZ-CD2 4.45Å; F216-L222 HydrophobicContact CB-CB 4.44Å; F216-L222 HydrophobicContact CD1-CB 4.44Å; F216-L222 HydrophobicContact CD1-CD1 3.92Å; F216-L222 HydrophobicContact CD2-CB 4.1Å; F216-L222 HydrophobicContact CD2-CD1 4.46Å; F216-L222 HydrophobicContact CE1-CD1 3.64Å; F216-L222 HydrophobicContact CE2-CD1 4.23Å; F216-L222 HydrophobicContact CG-CB 4.06Å; F216-L222 HydrophobicContact CG-CD1 4.33Å; F216-L222 HydrophobicContact CZ-CD1 3.82Å; D218-L222 PolarHBondContact O-N 3.46Å; I219-L222 HydrophobicContact CD1-CB 4.44Å; I219-L222 HydrophobicContact CD1-CD2 3.92Å; I219-L222 HydrophobicContact CD1-CG 4.46Å; N220-L222 VanDerWaalsContact C-N 3.34Å; L222-V224 VanDerWaalsContact C-N 3.3Å; L222-V224 PolarHBondContact O-N 3.09Å; L222-Q225 WeakPolarHBondContact O-CB 3.28Å; L222-Q225 PolarHBondContact O-N 3.21Å; L222-Q225 VanDerWaalsContact O-N 3.1Å; L222-L226 HydrophobicContact CD1-CD1 4.26Å; L222-L226 HydrophobicContact CD1-CD2 4.31Å; L222-L226 HydrophobicContact CD1-CG 3.97Å; L222-L226 HydrophobicContact CG-CD1 4.01Å; L222-L226 HydrophobicContact CG-CG 4.21Å; L222-L226 VanDerWaalsContact O-CG 3.29Å; L222-L226 WeakPolarHBondContact O-CG 3.44Å; L222-L226 PolarHBondContact O-N 2.88Å; L222-V286 HydrophobicContact CD1-CB 4.39Å; L222-V286 HydrophobicContact CD1-CG1 4.2Å; L222-V286 HydrophobicContact CD1-CG2 4Å; L222-V286 HydrophobicContact CD2-CG1 4.06Å; L222-V288 HydrophobicContact CD2-CG2 3.9Å
223A97.6Very high96Very high0 Ų047.4 Ų47.40%025%0.246CC..Hα-helixtrans-60.5-37.917800000112.7I219 N220 E221 L226 A227 T251 M254 I255I219-A223 WeakPolarHBondContact O-CB 3.3Å; I219-A223 PolarHBondContact O-N 3.15Å; N220-A223 WeakPolarHBondContact O-CB 3.43Å; N220-A223 PolarHBondContact O-N 3.1Å; E221-A223 VanDerWaalsContact C-N 3.33Å; E221-A223 PolarHBondContact O-N 3.35Å; A223-L226 PolarHBondContact O-N 2.8Å; A223-A227 WeakPolarHBondContact O-CB 3.37Å; A223-A227 PolarHBondContact O-N 3.22Å; A223-T251 HydrophobicContact CB-CG2 3.62Å; A223-M254 HydrophobicContact CB-CB 4.46Å; A223-M254 HydrophobicContact CB-CG 4.11Å; A223-M254 HydrophobicContact CB-SD 3.92Å; A223-I255 HydrophobicContact CB-CD1 4.25Å; A223-I255 HydrophobicContact CB-CG1 3.71Å
224V97.7Very high96.3Very high86 Ų8640.2 Ų40.252%0.52122%0.218SC..Hα-helixtrans-63.3-43.6173.4176.30000110.9N220 E221 L222 A227 A228 M254N220-V224 WeakPolarHBondContact O-CG2 3.09Å; N220-V224 PolarHBondContact O-N 3.04Å; N220-V224 VanDerWaalsContact O-N 3.14Å; E221-V224 PolarHBondContact O-N 3.48Å; L222-V224 VanDerWaalsContact C-N 3.3Å; L222-V224 PolarHBondContact O-N 3.09Å; V224-A227 PolarHBondContact O-N 3.42Å; V224-A228 WeakPolarHBondContact O-CB 3.49Å; V224-A228 PolarHBondContact O-N 3.14Å; V224-M254 HydrophobicContact CG2-SD 4.46Å
225Q97.2Very high96.4Very high42 Ų4240 Ų4020%0.19621%0.214CC..Hα-helixtrans-66.2-38.6178.5-64.3-62.4-2.400112.9F216 E221 L222 G229 E230 Y231F216-Q225 HydrophobicContact CD1-CG 4.31Å; E221-Q225 WeakPolarHBondContact O-CG 3.17Å; E221-Q225 PolarHBondContact O-N 3.01Å; E221-Q225 VanDerWaalsContact O-N 3.09Å; L222-Q225 WeakPolarHBondContact O-CB 3.28Å; L222-Q225 PolarHBondContact O-N 3.21Å; L222-Q225 VanDerWaalsContact O-N 3.1Å; Q225-G229 PolarHBondContact O-N 3.26Å; Q225-G229 VanDerWaalsContact O-N 3.14Å; Q225-E230 PolarHBondContact O-N 2.91Å; Q225-E230 VanDerWaalsContact O-N 3.12Å; Q225-E230 PolarHBondContact OE1-OE2 3.26Å; Q225-Y231 HydrophobicContact CB-CD2 4.03Å
226L97.8Very high96.3Very high7 Ų740.9 Ų40.94%0.03721%0.212CC..Hα-helixtrans-64.7-43.3172.6-67.3174.1000110.9L222 A223 A228 G229 Y231 L233 I255 A258 H262L222-L226 HydrophobicContact CD1-CD1 4.26Å; L222-L226 HydrophobicContact CD1-CD2 4.31Å; L222-L226 HydrophobicContact CD1-CG 3.97Å; L222-L226 HydrophobicContact CG-CD1 4.01Å; L222-L226 HydrophobicContact CG-CG 4.21Å; L222-L226 VanDerWaalsContact O-CG 3.29Å; L222-L226 WeakPolarHBondContact O-CG 3.44Å; L222-L226 PolarHBondContact O-N 2.88Å; A223-L226 PolarHBondContact O-N 2.8Å; L226-A228 VanDerWaalsContact C-N 3.33Å; L226-A228 PolarHBondContact O-N 2.85Å; L226-G229 PolarHBondContact O-N 3.25Å; L226-Y231 WeakPolarHBondContact CD2-O 3.49Å; L226-L233 HydrophobicContact CD1-CD1 4.24Å; L226-L233 HydrophobicContact CD1-CD2 3.94Å; L226-L233 HydrophobicContact CD1-CG 3.92Å; L226-L233 HydrophobicContact CD2-CD2 4.26Å; L226-L233 HydrophobicContact CD2-CG 4.1Å; L226-I255 HydrophobicContact CD1-CG1 4.18Å; L226-I255 HydrophobicContact CD1-CG2 4.23Å; L226-A258 HydrophobicContact CB-CB 3.8Å; L226-H262 PolarHBondContact O-CD2 2.84Å
227A97.3Very high96Very high32 Ų3243.4 Ų43.426%0.26422%0.224SC..Hα-helixtrans-65-35.7178.900000112.8A223 V224 G229 M254 H262A223-A227 WeakPolarHBondContact O-CB 3.37Å; A223-A227 PolarHBondContact O-N 3.22Å; V224-A227 PolarHBondContact O-N 3.42Å; A227-G229 VanDerWaalsContact C-N 3.26Å; A227-G229 PolarHBondContact O-N 3.02Å; A227-M254 HydrophobicContact CB-CG 4.29Å; A227-H262 PolarHBondContact O-NE2 3.07Å
228A97.3Very high95.6Very high62 Ų6240.3 Ų40.351%0.51223%0.227SC..Hα-helixtrans-69.3-22.9172.100000112.9V224 L226 E230V224-A228 WeakPolarHBondContact O-CB 3.49Å; V224-A228 PolarHBondContact O-N 3.14Å; L226-A228 VanDerWaalsContact C-N 3.33Å; L226-A228 PolarHBondContact O-N 2.85Å; A228-E230 VanDerWaalsContact C-N 3.35Å; A228-E230 HydrophobicContact CB-CG 4.12Å
229G96.6Very high95.3Very high24 Ų2442.7 Ų42.725%0.24724%0.239CC..THydrogen-bonded Turntrans82.212.2-176.700000113.6Q225 L226 A227 Y231 H262Q225-G229 PolarHBondContact O-N 3.26Å; Q225-G229 VanDerWaalsContact O-N 3.14Å; L226-G229 PolarHBondContact O-N 3.25Å; A227-G229 VanDerWaalsContact C-N 3.26Å; A227-G229 PolarHBondContact O-N 3.02Å; G229-Y231 VanDerWaalsContact C-N 3.35Å; G229-H262 PolarHBondContact N-NE2 2.97Å
230E96.5Very high94.8Very high120 Ų12048.9 Ų48.956%0.56126%0.263SS*.SBendtrans-69.8-35.8176.3-65.1-164.4-179.400111.2Q225 A228 N284Q225-E230 PolarHBondContact O-N 2.91Å; Q225-E230 VanDerWaalsContact O-N 3.12Å; Q225-E230 PolarHBondContact OE1-OE2 3.26Å; A228-E230 VanDerWaalsContact C-N 3.35Å; A228-E230 HydrophobicContact CB-CG 4.12Å; E230-N284 VanDerWaalsContact O-CB 3.24Å; E230-N284 WeakPolarHBondContact O-CB 3.35Å
231Y97.5Very high94.2Very high44 Ų4449.9 Ų49.917%0.17327%0.274CS..  trans-123160.5176.7-75.6-91.5000111.6P215 F216 Q225 L226 G229 N284 V286P215-Y231 HydrophobicContact CB-CE2 3.88Å; P215-Y231 WeakPolarHBondContact CB-OH 3.08Å; P215-Y231 HydrophobicContact CG-CE1 4.48Å; P215-Y231 HydrophobicContact CG-CE2 4.29Å; P215-Y231 WeakPolarHBondContact CG-OH 3.29Å; F216-Y231 HydrophobicContact CE1-CD1 4.27Å; F216-Y231 HydrophobicContact CE1-CD2 4.4Å; F216-Y231 HydrophobicContact CE1-CE1 4.32Å; F216-Y231 HydrophobicContact CE1-CE2 4.44Å; F216-Y231 HydrophobicContact CE1-CG 4.31Å; Q225-Y231 HydrophobicContact CB-CD2 4.03Å; L226-Y231 WeakPolarHBondContact CD2-O 3.49Å; G229-Y231 VanDerWaalsContact C-N 3.35Å; Y231-N284 CarbonylContact C-O 3.54Å; Y231-N284 WeakPolarHBondContact CA-O 3.33Å; Y231-N284 HydrophobicContact CD1-CB 4.33Å; Y231-N284 WeakPolarHBondContact CD1-O 3.47Å; Y231-V286 HydrophobicContact CD1-CG2 3.36Å; Y231-V286 HydrophobicContact CE1-CG2 4.23Å; Y231-V286 HydrophobicContact CG-CG2 3.92Å
232K97.2Very high93.6Very high57 Ų5752.4 Ų52.425%0.24828%0.28CS..EExtended strand (participates in β ladder)trans-138.2147.1171.7-60.2-172.7-175.1-168.60110.9H262 Y265 N284 A285 V286K232-H262 VanDerWaalsContact CE-O 3.31Å; K232-H262 WeakPolarHBondContact CE-O 3.43Å; K232-H262 PolarHBondContact NZ-O 3.44Å; K232-Y265 HydrophobicContact CB-CD2 3.89Å; K232-Y265 HydrophobicContact CB-CE2 3.66Å; K232-Y265 HydrophobicContact CD-CE2 4.19Å; K232-Y265 HydrophobicContact CG-CE2 4.31Å; K232-N284 PolarHBondContact N-O 2.9Å; K232-A285 CarbonylContact O-C 3.53Å; K232-A285 WeakPolarHBondContact O-CA 3.48Å; K232-V286 PolarHBondContact O-N 3.3Å
233L97.3Very high93.3Very high7 Ų752.8 Ų52.84%0.03728%0.282CS..EExtended strand (participates in β ladder)trans-70.3143.5176-64.1-180000111.2L226 I243 I255 I259 Y264 Y265 V286 V288L226-L233 HydrophobicContact CD1-CD1 4.24Å; L226-L233 HydrophobicContact CD1-CD2 3.94Å; L226-L233 HydrophobicContact CD1-CG 3.92Å; L226-L233 HydrophobicContact CD2-CD2 4.26Å; L226-L233 HydrophobicContact CD2-CG 4.1Å; L233-I243 HydrophobicContact CB-CG2 4.32Å; L233-I243 HydrophobicContact CD1-CG2 3.98Å; L233-I255 HydrophobicContact CD1-CG2 3.94Å; L233-I259 HydrophobicContact CD1-CD1 3.96Å; L233-I259 HydrophobicContact CD1-CG1 4.26Å; L233-Y264 WeakPolarHBondContact O-CB 3.48Å; L233-Y265 PolarHBondContact O-N 2.85Å; L233-V286 CarbonylContact C-O 3.49Å; L233-V286 WeakPolarHBondContact CA-O 3.36Å; L233-V286 HydrophobicContact CD2-CB 4.5Å; L233-V288 HydrophobicContact CD2-CG2 3.76Å
234L96.4Very high93.1Very high2 Ų254.2 Ų54.21%0.0129%0.291CS..EExtended strand (participates in β ladder)trans-109.1121.1169.7-179.874.4000109Y265 V267 L275 I279 A285 V286L234-Y265 WeakPolarHBondContact CA-O 3.45Å; L234-Y265 VanDerWaalsContact CD1-CB 3.4Å; L234-Y265 HydrophobicContact CD1-CG 4.46Å; L234-V267 HydrophobicContact CD1-CG1 3.86Å; L234-L275 WeakPolarHBondContact CD2-O 3.28Å; L234-I279 HydrophobicContact CD2-CG1 3.57Å; L234-A285 HydrophobicContact CB-CB 4.22Å; L234-V286 PolarHBondContact N-O 2.94Å
235H94.1Very high92.8Very high14 Ų1450.7 Ų50.77%0.06527%0.27CS..EExtended strand (participates in β ladder)trans-148.8155-176.8-149.2-89.4000112.9H237 I243 Y265 Y266 V267 K289H235-H237 AromaticContact CE1-CD2 3.36Å; H235-H237 PolarHBondContact CE1-CD2 3.3Å; H235-H237 AromaticContact CE1-CG 3.84Å; H235-H237 AromaticContact ND1-CD2 3.89Å; H235-H237 AromaticContact ND1-CG 3.92Å; H235-H237 PolarHBondContact ND1-N 3.1Å; H235-H237 VanDerWaalsContact ND1-N 3.13Å; H235-I243 HydrophobicContact CB-CB 4.5Å; H235-I243 HydrophobicContact CB-CG1 4.17Å; H235-I243 HydrophobicContact CB-CG2 3.92Å; H235-Y265 PolarHBondContact N-O 3.1Å; H235-Y266 WeakPolarHBondContact O-CA 3.3Å; H235-V267 PolarHBondContact O-N 3.28Å; H235-K289 PolarHBondContact NE2-NZ 2.9Å
236Y90.6Very high92.4Very high57 Ų5752.2 Ų52.222%0.22429%0.285CS..SBendtrans-100.2-3.8-179.866.8-93.7000114.7Y266 V267 L275Y236-Y266 WeakPolarHBondContact O-CE2 3.39Å; Y236-V267 WeakPolarHBondContact CA-O 3.35Å; Y236-V267 WeakPolarHBondContact CB-O 3.42Å; Y236-L275 HydrophobicContact CD1-CD1 4.09Å; Y236-L275 HydrophobicContact CD1-CD2 4.29Å
237H88.6Confident92.1Very high54 Ų5452.8 Ų52.825%0.2529%0.291CS..  trans-89.9131.9173.6-73.6-44.6000109.8H235 R242 Y264H235-H237 AromaticContact CE1-CD2 3.36Å; H235-H237 PolarHBondContact CE1-CD2 3.3Å; H235-H237 AromaticContact CE1-CG 3.84Å; H235-H237 AromaticContact ND1-CD2 3.89Å; H235-H237 AromaticContact ND1-CG 3.92Å; H235-H237 PolarHBondContact ND1-N 3.1Å; H235-H237 VanDerWaalsContact ND1-N 3.13Å; H237-R242 HydrophobicContact CB-CB 4.08Å; H237-Y264 PolarHBondContact O-OH 3.46Å
238A86.9Confident91.8Very high67 Ų6754.7 Ų54.755%0.55430%0.3SS*.SBendtrans-75.8-30.8174.300000112.1R240 Y264 Y266A238-R240 PolarHBondContact O-N 3.44Å; A238-Y264 WeakPolarHBondContact CA-OH 3.41Å; A238-Y264 PolarHBondContact O-OH 2.96Å; A238-Y264 VanDerWaalsContact O-OH 3.1Å; A238-Y266 HydrophobicContact CB-CE2 3.96Å
239D86.8Confident91.5Very high82 Ų8258.5 Ų58.544%0.43931%0.308SS..SBendtrans-73.5118.2177.4179.9-0000110.6S241 R242 I243D239-S241 VanDerWaalsContact C-N 3.26Å; D239-S241 PolarHBondContact O-N 2.72Å; D239-S241 PolarHBondContact OD1-N 3.49Å; D239-S241 VanDerWaalsContact OD1-N 3.1Å; D239-S241 PolarHBondContact OD1-OG 3.49Å; D239-S241 PolarHBondContact OD2-OG 2.95Å; D239-R242 HydrophobicContact CB-CG 4.46Å; D239-R242 PolarHBondContact O-N 3.02Å; D239-R242 VanDerWaalsContact O-N 3.16Å; D239-R242 IonicContact OD2-NE 2.83Å; D239-I243 WeakPolarHBondContact O-CG1 3.33Å
240R86.9Confident91.4Very high130 Ų13065.5 Ų65.549%0.49133%0.331SS..G310 helixtrans-60.9-33.9-175.1-61.7178.9-172.4169.90.7113A238 R242 I243 M256A238-R240 PolarHBondContact O-N 3.44Å; R240-R242 PolarHBondContact O-N 3.28Å; R240-I243 WeakPolarHBondContact O-CB 3.4Å; R240-I243 PolarHBondContact O-N 3.39Å; R240-I243 VanDerWaalsContact O-N 3.08Å; R240-M256 HydrophobicContact CB-CE 4.43Å
241S84Confident91.4Very high79 Ų7960.5 Ų60.555%0.55231%0.309SS*.G310 helixtrans-61.9-26.5-179.465.50000112.7D239D239-S241 VanDerWaalsContact C-N 3.26Å; D239-S241 PolarHBondContact O-N 2.72Å; D239-S241 PolarHBondContact OD1-N 3.49Å; D239-S241 VanDerWaalsContact OD1-N 3.1Å; D239-S241 PolarHBondContact OD1-OG 3.49Å; D239-S241 PolarHBondContact OD2-OG 2.95Å
242R85.1Confident91.2Very high135 Ų13561.9 Ų61.951%0.50932%0.317SS..G310 helixtrans-93.6-0.1-180-56.2-173.8180-157.4-4.9114H237 D239 R240H237-R242 HydrophobicContact CB-CB 4.08Å; D239-R242 HydrophobicContact CB-CG 4.46Å; D239-R242 PolarHBondContact O-N 3.02Å; D239-R242 VanDerWaalsContact O-N 3.16Å; D239-R242 IonicContact OD2-NE 2.83Å; R240-R242 PolarHBondContact O-N 3.28Å
243I89.9Confident91.2Very high7 Ų764.1 Ų64.14%0.03633%0.329CS..THydrogen-bonded Turntrans-90.8-30.4179.4-58.3175.7000110.4L233 H235 D239 R240 P245 I259 Y264L233-I243 HydrophobicContact CB-CG2 4.32Å; L233-I243 HydrophobicContact CD1-CG2 3.98Å; H235-I243 HydrophobicContact CB-CB 4.5Å; H235-I243 HydrophobicContact CB-CG1 4.17Å; H235-I243 HydrophobicContact CB-CG2 3.92Å; D239-I243 WeakPolarHBondContact O-CG1 3.33Å; R240-I243 WeakPolarHBondContact O-CB 3.4Å; R240-I243 PolarHBondContact O-N 3.39Å; R240-I243 VanDerWaalsContact O-N 3.08Å; I243-P245 WeakPolarHBondContact O-CD 3.34Å; I243-I259 HydrophobicContact CB-CD1 4.38Å; I243-I259 HydrophobicContact CG2-CD1 4Å; I243-Y264 HydrophobicContact CD1-CD1 3.75Å; I243-Y264 HydrophobicContact CD1-CD2 3.7Å; I243-Y264 HydrophobicContact CD1-CE1 3.41Å; I243-Y264 VanDerWaalsContact CD1-CE1 3.41Å; I243-Y264 HydrophobicContact CD1-CE2 3.38Å; I243-Y264 HydrophobicContact CD1-CG 3.88Å
244V92.9Very high91.1Very high30 Ų3067.6 Ų67.618%0.18235%0.345CS..SBendtrans-64.4118.4-178-169.30000108.7E252 I255 M256 I259V244-E252 HydrophobicContact CG1-CB 3.99Å; V244-E252 HydrophobicContact CG1-CG 4.13Å; V244-I255 HydrophobicContact CG1-CB 4.5Å; V244-I255 HydrophobicContact CG1-CG2 4.28Å; V244-M256 HydrophobicContact CG2-CG 3.45Å; V244-M256 VanDerWaalsContact CG2-CG 3.45Å; V244-M256 HydrophobicContact CG2-SD 3.08Å; V244-M256 WeakPolarHBondContact CG2-SD 3.46Å; V244-I259 HydrophobicContact CG2-CD1 4.31Å
245P91.7Very high91.2Very high13 Ų1367.5 Ų67.58%0.08435%0.345CS..PPolyproline II helixtrans-70.4161.1173.432.6-35.7000110.1I219 I243 A247 I255 V288I219-P245 HydrophobicContact CD1-CB 4.48Å; I219-P245 HydrophobicContact CD1-CG 3.66Å; I219-P245 HydrophobicContact CG1-CG 4.46Å; I243-P245 WeakPolarHBondContact O-CD 3.34Å; P245-A247 PolarHBondContact O-N 2.9Å; P245-I255 HydrophobicContact CG-CD1 4.03Å; P245-V288 HydrophobicContact CB-CB 4.02Å; P245-V288 HydrophobicContact CB-CG1 3.55Å; P245-V288 HydrophobicContact CB-CG2 4.49Å; P245-V288 HydrophobicContact CG-CB 4.46Å; P245-V288 HydrophobicContact CG-CG1 4.25Å; P245-V288 HydrophobicContact CG-CG2 4.4Å
246S88.7Confident91.2Very high74 Ų7469.2 Ų69.252%0.51735%0.354SS..SBendtrans-60.7127.3175.6-58.70000110.2Q106 V315Q106-S246 PolarHBondContact NE2-O 2.81Å; Q106-S246 VanDerWaalsContact NE2-O 3.16Å; S246-V315 WeakPolarHBondContact O-CG2 3.47Å
247A91.7Very high91.5Very high19 Ų1971.3 Ų71.316%0.15737%0.369CS..  trans-155.1170.2176.900000110.9I219 P245 T251 E252I219-A247 HydrophobicContact CG1-CB 3.71Å; I219-A247 HydrophobicContact CG2-CB 4Å; P245-A247 PolarHBondContact O-N 2.9Å; A247-T251 HydrophobicContact CB-CG2 3.92Å; A247-E252 HydrophobicContact CB-CG 3.74Å; A247-E252 PolarHBondContact N-OE1 2.91Å; A247-E252 WeakPolarHBondContact O-CG 3.31Å; A247-E252 VanDerWaalsContact O-OE1 3.1Å
248P91.3Very high91.9Very high71 Ų7169 Ų6946%0.46136%0.359SS..  trans-56.9143.2165.7-23.134.4000110.6K250 T251 E252P248-K250 VanDerWaalsContact C-N 3.26Å; P248-K250 PolarHBondContact O-N 2.83Å; P248-T251 WeakPolarHBondContact O-CA 3.39Å; P248-T251 VanDerWaalsContact O-CB 3.32Å; P248-T251 WeakPolarHBondContact O-CB 3.43Å; P248-T251 PolarHBondContact O-N 3.35Å; P248-E252 PolarHBondContact O-N 3.48Å
249Q91.7Very high92.4Very high142 Ų14266.2 Ų66.266%0.66434%0.335SS*.Hα-helixtrans-46.2-44.9-173.7-175.9-176.9-4.900114.2T251 E252 E253Q249-T251 VanDerWaalsContact C-N 3.28Å; Q249-T251 PolarHBondContact O-N 2.93Å; Q249-E252 PolarHBondContact O-N 3.33Å; Q249-E253 PolarHBondContact NE2-OE1 2.96Å; Q249-E253 WeakPolarHBondContact O-CG 3.41Å; Q249-E253 PolarHBondContact O-N 3.38Å
250K94.5Very high92.8Very high171 Ų17168 Ų6874%0.74334%0.34SS*.Hα-helixtrans-61.3-36.6178.2-174.6-177.3178.3-174.80112.7P248 M254P248-K250 VanDerWaalsContact C-N 3.26Å; P248-K250 PolarHBondContact O-N 2.83Å; K250-M254 PolarHBondContact O-N 2.87Å; K250-M254 VanDerWaalsContact O-N 3.15Å
251T95.7Very high93.2Very high16 Ų1669.2 Ų69.210%0.09835%0.349CS..Hα-helixtrans-75-39.1179-53.70000110.4I219 N220 A223 A247 P248 Q249 E253 M254 I255I219-T251 HydrophobicContact CG1-CG2 4.2Å; I219-T251 HydrophobicContact CG2-CG2 4.36Å; N220-T251 PolarHBondContact OD1-OG1 3.45Å; A223-T251 HydrophobicContact CB-CG2 3.62Å; A247-T251 HydrophobicContact CB-CG2 3.92Å; P248-T251 WeakPolarHBondContact O-CA 3.39Å; P248-T251 VanDerWaalsContact O-CB 3.32Å; P248-T251 WeakPolarHBondContact O-CB 3.43Å; P248-T251 PolarHBondContact O-N 3.35Å; Q249-T251 VanDerWaalsContact C-N 3.28Å; Q249-T251 PolarHBondContact O-N 2.93Å; T251-E253 PolarHBondContact O-N 3.34Å; T251-M254 PolarHBondContact O-N 2.79Å; T251-I255 HydrophobicContact CG2-CD1 4.08Å; T251-I255 VanDerWaalsContact O-CG1 3.28Å; T251-I255 WeakPolarHBondContact O-CG1 3.43Å; T251-I255 PolarHBondContact O-N 3.1Å
252E94.3Very high93.8Very high72 Ų7268 Ų6834%0.33634%0.335SS..Hα-helixtrans-59.8-45172.9-63.5-173.915900111.8V244 A247 P248 Q249 M254 I255 M256V244-E252 HydrophobicContact CG1-CB 3.99Å; V244-E252 HydrophobicContact CG1-CG 4.13Å; A247-E252 HydrophobicContact CB-CG 3.74Å; A247-E252 PolarHBondContact N-OE1 2.91Å; A247-E252 WeakPolarHBondContact O-CG 3.31Å; A247-E252 VanDerWaalsContact O-OE1 3.1Å; P248-E252 PolarHBondContact O-N 3.48Å; Q249-E252 PolarHBondContact O-N 3.33Å; E252-M254 VanDerWaalsContact C-N 3.33Å; E252-M254 PolarHBondContact O-N 3Å; E252-I255 PolarHBondContact O-N 2.97Å; E252-M256 WeakPolarHBondContact O-CB 3.3Å; E252-M256 PolarHBondContact O-N 3.33Å
253E95.7Very high94.3Very high105 Ų10563 Ų6349%0.49133%0.326SS..Hα-helixtrans-60.4-41.7174.7-72.4173.1-167.200111.8Q249 T251 M256 N257Q249-E253 PolarHBondContact NE2-OE1 2.96Å; Q249-E253 WeakPolarHBondContact O-CG 3.41Å; Q249-E253 PolarHBondContact O-N 3.38Å; T251-E253 PolarHBondContact O-N 3.34Å; E253-M256 PolarHBondContact O-N 2.93Å; E253-N257 WeakPolarHBondContact O-CB 3.37Å; E253-N257 PolarHBondContact O-N 2.81Å; E253-N257 PolarHBondContact O-ND2 3.16Å
254M96.5Very high94.6Very high79 Ų7965.1 Ų65.139%0.38933%0.334SS..Hα-helixtrans-64.1-42.7175.9-179.5173.7-9000111.9A223 V224 A227 K250 T251 E252 N257 A258A223-M254 HydrophobicContact CB-CB 4.46Å; A223-M254 HydrophobicContact CB-CG 4.11Å; A223-M254 HydrophobicContact CB-SD 3.92Å; V224-M254 HydrophobicContact CG2-SD 4.46Å; A227-M254 HydrophobicContact CB-CG 4.29Å; K250-M254 PolarHBondContact O-N 2.87Å; K250-M254 VanDerWaalsContact O-N 3.15Å; T251-M254 PolarHBondContact O-N 2.79Å; E252-M254 VanDerWaalsContact C-N 3.33Å; E252-M254 PolarHBondContact O-N 3Å; M254-N257 PolarHBondContact O-N 3.11Å; M254-A258 WeakPolarHBondContact O-CB 3.37Å; M254-A258 PolarHBondContact O-N 3.37Å
255I96.9Very high94.8Very high0 Ų066 Ų660%033%0.334CS..Hα-helixtrans-64.9-44.7177-68.4166.4000110.4I219 A223 L226 L233 V244 P245 T251 E252 N257 A258 I259I219-I255 HydrophobicContact CD1-CD1 3.69Å; I219-I255 HydrophobicContact CG1-CD1 3.91Å; A223-I255 HydrophobicContact CB-CD1 4.25Å; A223-I255 HydrophobicContact CB-CG1 3.71Å; L226-I255 HydrophobicContact CD1-CG1 4.18Å; L226-I255 HydrophobicContact CD1-CG2 4.23Å; L233-I255 HydrophobicContact CD1-CG2 3.94Å; V244-I255 HydrophobicContact CG1-CB 4.5Å; V244-I255 HydrophobicContact CG1-CG2 4.28Å; P245-I255 HydrophobicContact CG-CD1 4.03Å; T251-I255 HydrophobicContact CG2-CD1 4.08Å; T251-I255 VanDerWaalsContact O-CG1 3.28Å; T251-I255 WeakPolarHBondContact O-CG1 3.43Å; T251-I255 PolarHBondContact O-N 3.1Å; E252-I255 PolarHBondContact O-N 2.97Å; I255-N257 PolarHBondContact O-N 3.46Å; I255-A258 WeakPolarHBondContact O-CB 3.41Å; I255-A258 PolarHBondContact O-N 2.83Å; I255-A258 VanDerWaalsContact O-N 3.13Å; I255-I259 HydrophobicContact CG2-CD1 3.81Å; I255-I259 HydrophobicContact CG2-CG1 4.3Å; I255-I259 VanDerWaalsContact O-CG1 3.3Å; I255-I259 WeakPolarHBondContact O-CG1 3.42Å; I255-I259 PolarHBondContact O-N 3.03Å
256M96.1Very high94.9Very high51 Ų5171 Ų7125%0.25135%0.352SS..Hα-helixtrans-58.5-48176.2-83.7-62.3-71.700111.9R240 V244 E252 E253 A258 I259 E260R240-M256 HydrophobicContact CB-CE 4.43Å; V244-M256 HydrophobicContact CG2-CG 3.45Å; V244-M256 VanDerWaalsContact CG2-CG 3.45Å; V244-M256 HydrophobicContact CG2-SD 3.08Å; V244-M256 WeakPolarHBondContact CG2-SD 3.46Å; E252-M256 WeakPolarHBondContact O-CB 3.3Å; E252-M256 PolarHBondContact O-N 3.33Å; E253-M256 PolarHBondContact O-N 2.93Å; M256-A258 VanDerWaalsContact C-N 3.27Å; M256-A258 PolarHBondContact O-N 3.2Å; M256-I259 PolarHBondContact O-N 3.13Å; M256-I259 HydrophobicContact SD-CD1 4.42Å; M256-E260 WeakPolarHBondContact O-CG 3.37Å; M256-E260 PolarHBondContact O-N 2.86Å
257N96.7Very high95.1Very high100 Ų10068.3 Ų68.354%0.53533%0.333SS..Hα-helixtrans-60.5-37.7175.6-72.5-32.9000112E253 M254 I255 E260 K261E253-N257 WeakPolarHBondContact O-CB 3.37Å; E253-N257 PolarHBondContact O-N 2.81Å; E253-N257 PolarHBondContact O-ND2 3.16Å; M254-N257 PolarHBondContact O-N 3.11Å; I255-N257 PolarHBondContact O-N 3.46Å; N257-E260 PolarHBondContact O-N 2.84Å; N257-K261 VanDerWaalsContact O-CB 3.24Å; N257-K261 WeakPolarHBondContact O-CB 3.26Å; N257-K261 PolarHBondContact O-N 3.03Å
258A96.9Very high94.9Very high6 Ų672.9 Ų72.95%0.0535%0.354CS..Hα-helixtrans-66.8-42.4175.900000112.3L226 M254 I255 M256 E260 K261 H262L226-A258 HydrophobicContact CB-CB 3.8Å; M254-A258 WeakPolarHBondContact O-CB 3.37Å; M254-A258 PolarHBondContact O-N 3.37Å; I255-A258 WeakPolarHBondContact O-CB 3.41Å; I255-A258 PolarHBondContact O-N 2.83Å; I255-A258 VanDerWaalsContact O-N 3.13Å; M256-A258 VanDerWaalsContact C-N 3.27Å; M256-A258 PolarHBondContact O-N 3.2Å; A258-E260 VanDerWaalsContact C-N 3.33Å; A258-E260 PolarHBondContact O-N 3.11Å; A258-K261 PolarHBondContact O-N 3.06Å; A258-H262 WeakPolarHBondContact O-CB 3.32Å; A258-H262 PolarHBondContact O-N 3.21Å
259I96.2Very high94.7Very high9 Ų975.6 Ų75.65%0.04636%0.356CS..Hα-helixtrans-61.2-42.5174.8-67.4165.8000110.4L233 I243 V244 I255 M256 G263 Y264L233-I259 HydrophobicContact CD1-CD1 3.96Å; L233-I259 HydrophobicContact CD1-CG1 4.26Å; I243-I259 HydrophobicContact CB-CD1 4.38Å; I243-I259 HydrophobicContact CG2-CD1 4Å; V244-I259 HydrophobicContact CG2-CD1 4.31Å; I255-I259 HydrophobicContact CG2-CD1 3.81Å; I255-I259 HydrophobicContact CG2-CG1 4.3Å; I255-I259 VanDerWaalsContact O-CG1 3.3Å; I255-I259 WeakPolarHBondContact O-CG1 3.42Å; I255-I259 PolarHBondContact O-N 3.03Å; M256-I259 PolarHBondContact O-N 3.13Å; M256-I259 HydrophobicContact SD-CD1 4.42Å; I259-G263 WeakPolarHBondContact O-CA 3.49Å; I259-G263 PolarHBondContact O-N 2.86Å; I259-Y264 HydrophobicContact CG2-CD1 3.9Å
260E95.2Very high94.4Very high119 Ų11971.2 Ų71.256%0.55634%0.34SS*.Hα-helixtrans-66.3-40.6177.7-72.3-174.9171.600112.5M256 N257 A258M256-E260 WeakPolarHBondContact O-CG 3.37Å; M256-E260 PolarHBondContact O-N 2.86Å; N257-E260 PolarHBondContact O-N 2.84Å; A258-E260 VanDerWaalsContact C-N 3.33Å; A258-E260 PolarHBondContact O-N 3.11Å
261K96.7Very high94.1Very high156 Ų15666.1 Ų66.168%0.67832%0.321SS*.Hα-helixtrans-75.1-44.1-177.1-175.9179.1176-173.50113.2N257 A258N257-K261 VanDerWaalsContact O-CB 3.24Å; N257-K261 WeakPolarHBondContact O-CB 3.26Å; N257-K261 PolarHBondContact O-N 3.03Å; A258-K261 PolarHBondContact O-N 3.06Å
262H96.3Very high93.8Very high52 Ų5269 Ų6924%0.24133%0.331CS..Hα-helixtrans-112.6-11.6-169.6-61-66.5000113.9L226 A227 G229 K232 A258L226-H262 PolarHBondContact O-CD2 2.84Å; A227-H262 PolarHBondContact O-NE2 3.07Å; G229-H262 PolarHBondContact N-NE2 2.97Å; K232-H262 VanDerWaalsContact CE-O 3.31Å; K232-H262 WeakPolarHBondContact CE-O 3.43Å; K232-H262 PolarHBondContact NZ-O 3.44Å; A258-H262 WeakPolarHBondContact O-CB 3.32Å; A258-H262 PolarHBondContact O-N 3.21Å
263G95Very high93.8Very high32 Ų3268.6 Ų68.633%0.3333%0.331SS..  trans76.4-175.1-173.700000113.5I259I259-G263 WeakPolarHBondContact O-CA 3.49Å; I259-G263 PolarHBondContact O-N 2.86Å
264Y95.9Very high93.6Very high51 Ų5164.8 Ų64.820%0.232%0.315CS..  trans-141.6163.3176.970.6-83.4000109.7L233 H237 A238 I243 I259 Y266L233-Y264 WeakPolarHBondContact O-CB 3.48Å; H237-Y264 PolarHBondContact O-OH 3.46Å; A238-Y264 WeakPolarHBondContact CA-OH 3.41Å; A238-Y264 PolarHBondContact O-OH 2.96Å; A238-Y264 VanDerWaalsContact O-OH 3.1Å; I243-Y264 HydrophobicContact CD1-CD1 3.75Å; I243-Y264 HydrophobicContact CD1-CD2 3.7Å; I243-Y264 HydrophobicContact CD1-CE1 3.41Å; I243-Y264 VanDerWaalsContact CD1-CE1 3.41Å; I243-Y264 HydrophobicContact CD1-CE2 3.38Å; I243-Y264 HydrophobicContact CD1-CG 3.88Å; I259-Y264 HydrophobicContact CG2-CD1 3.9Å; Y264-Y266 HydrophobicContact CE2-CD2 4.12Å; Y264-Y266 HydrophobicContact CE2-CG 4.36Å
265Y96.6Very high93.5Very high47 Ų4761.1 Ų61.118%0.18430%0.297CS..EExtended strand (participates in β ladder)trans-85.5113.1173.4-63.3-64.2000109.6K232 L233 L234 H235 Y282 N284 A285K232-Y265 HydrophobicContact CB-CD2 3.89Å; K232-Y265 HydrophobicContact CB-CE2 3.66Å; K232-Y265 HydrophobicContact CD-CE2 4.19Å; K232-Y265 HydrophobicContact CG-CE2 4.31Å; L233-Y265 PolarHBondContact O-N 2.85Å; L234-Y265 WeakPolarHBondContact CA-O 3.45Å; L234-Y265 VanDerWaalsContact CD1-CB 3.4Å; L234-Y265 HydrophobicContact CD1-CG 4.46Å; H235-Y265 PolarHBondContact N-O 3.1Å; Y265-Y282 HydrophobicContact CD1-CD1 4.21Å; Y265-Y282 AromaticContact CD1-CD2 3.82Å; Y265-Y282 HydrophobicContact CD1-CD2 3.82Å; Y265-Y282 HydrophobicContact CD1-CE1 4.37Å; Y265-Y282 AromaticContact CD1-CE2 3.99Å; Y265-Y282 HydrophobicContact CD1-CE2 3.99Å; Y265-Y282 AromaticContact CD1-CG 3.97Å; Y265-Y282 HydrophobicContact CD1-CG 3.97Å; Y265-Y282 HydrophobicContact CD2-CD2 4.3Å; Y265-Y282 HydrophobicContact CD2-CG 4.34Å; Y265-Y282 AromaticContact CE1-CD1 3.74Å; Y265-Y282 HydrophobicContact CE1-CD1 3.74Å; Y265-Y282 HydrophobicContact CE1-CD2 4.14Å; Y265-Y282 HydrophobicContact CE1-CE1 4.11Å; Y265-Y282 HydrophobicContact CE1-CE2 4.47Å; Y265-Y282 AromaticContact CE1-CG 3.78Å; Y265-Y282 HydrophobicContact CE1-CG 3.78Å; Y265-Y282 HydrophobicContact CE2-CG 4.15Å; Y265-Y282 AromaticContact CG-CD2 3.93Å; Y265-Y282 HydrophobicContact CG-CD2 3.93Å; Y265-Y282 HydrophobicContact CG-CE2 4.37Å; Y265-Y282 HydrophobicContact CG-CG 4.25Å; Y265-Y282 AromaticContact CZ-CG 3.89Å; Y265-N284 PolarHBondContact OH-ND2 3.33Å; Y265-N284 PolarHBondContact OH-OD1 3.42Å; Y265-A285 HydrophobicContact CD2-CB 3.78Å; Y265-A285 HydrophobicContact CE2-CB 4.04Å
266Y94.4Very high93.3Very high119 Ų11961.1 Ų61.147%0.46730%0.297SS..EExtended strand (participates in β ladder)trans-93.1130.8176.9174.4-107.4000110.9H235 Y236 A238 Y264 N268H235-Y266 WeakPolarHBondContact O-CA 3.3Å; Y236-Y266 WeakPolarHBondContact O-CE2 3.39Å; A238-Y266 HydrophobicContact CB-CE2 3.96Å; Y264-Y266 HydrophobicContact CE2-CD2 4.12Å; Y264-Y266 HydrophobicContact CE2-CG 4.36Å; Y266-N268 HydrophobicContact CE1-CB 4.22Å
267V92.2Very high93.3Very high18 Ų1862.1 Ų62.111%0.10930%0.303CS..  trans-115.5138.3167.5-64.70000110.3L234 H235 Y236 R269 V274 L275L234-V267 HydrophobicContact CD1-CG1 3.86Å; H235-V267 PolarHBondContact O-N 3.28Å; Y236-V267 WeakPolarHBondContact CA-O 3.35Å; Y236-V267 WeakPolarHBondContact CB-O 3.42Å; V267-R269 WeakPolarHBondContact CG2-O 3.43Å; V267-R269 PolarHBondContact O-N 3.36Å; V267-V274 HydrophobicContact CB-CG1 3.75Å; V267-V274 HydrophobicContact CG1-CG1 4.03Å; V267-V274 HydrophobicContact CG2-CG1 4.32Å; V267-L275 HydrophobicContact CG2-CD2 3.49Å; V267-L275 VanDerWaalsContact CG2-CD2 3.49Å; V267-L275 HydrophobicContact CG2-CG 4.11Å
268N88.3Confident93.2Very high115 Ų11557.5 Ų57.562%0.61528%0.279SS*.SBendtrans-75.1-8.2-172.364.7-7.3000114.8Y266Y266-N268 HydrophobicContact CE1-CB 4.22Å
269R86.7Confident93.2Very high128 Ų12857.2 Ų57.248%0.48328%0.277SS..  trans-138.9148.8-174.9-67.5-176.1-66.7155.6-9.1110.6V267 D271 V274V267-R269 WeakPolarHBondContact CG2-O 3.43Å; V267-R269 PolarHBondContact O-N 3.36Å; R269-D271 VanDerWaalsContact C-N 3.28Å; R269-D271 WeakPolarHBondContact CD-OD2 3.36Å; R269-D271 IonicContact CZ-OD2 3.61Å; R269-D271 IonicContact NE-OD2 2.82Å; R269-D271 IonicContact NH1-OD2 3.9Å; R269-D271 PolarHBondContact NH1-OD2 3.13Å; R269-V274 HydrophobicContact CB-CG2 4.48Å
270S86.7Confident93.1Very high49 Ų4957.9 Ų57.934%0.34328%0.28SS..  trans-89.210.7175.958.60000113.4Y297S270-Y297 WeakPolarHBondContact O-CE2 3.47Å; S270-Y297 PolarHBondContact O-OH 3.5Å
271D88Confident93.1Very high64 Ų6458.2 Ų58.234%0.34228%0.282SS..  trans-63.2141.3179.2-60.2-36000110.4R269 N273 V274 L275R269-D271 VanDerWaalsContact C-N 3.28Å; R269-D271 WeakPolarHBondContact CD-OD2 3.36Å; R269-D271 IonicContact CZ-OD2 3.61Å; R269-D271 IonicContact NE-OD2 2.82Å; R269-D271 IonicContact NH1-OD2 3.9Å; R269-D271 PolarHBondContact NH1-OD2 3.13Å; D271-N273 VanDerWaalsContact C-N 3.3Å; D271-N273 WeakPolarHBondContact CB-OD1 3.39Å; D271-N273 PolarHBondContact O-N 3.35Å; D271-V274 HydrophobicContact CB-CB 4.49Å; D271-V274 HydrophobicContact CB-CG2 4.13Å; D271-V274 PolarHBondContact O-N 2.91Å; D271-L275 PolarHBondContact O-N 3.46Å; D271-L275 VanDerWaalsContact O-N 3.13Å
272Y89.6Confident93.1Very high78 Ų7854.4 Ų54.431%0.30626%0.264SS..Hα-helixtrans-61-38.1-174.866.4-92.1000113.1L276 Y297 L300 Y301Y272-L276 VanDerWaalsContact O-CB 3.29Å; Y272-L276 WeakPolarHBondContact O-CB 3.29Å; Y272-L276 VanDerWaalsContact O-CG 3.22Å; Y272-L276 WeakPolarHBondContact O-CG 3.23Å; Y272-L276 PolarHBondContact O-N 2.95Å; Y272-Y297 VanDerWaalsContact CA-CE2 3.42Å; Y272-L300 HydrophobicContact CD1-CB 4.4Å; Y272-L300 HydrophobicContact CD1-CD1 4.08Å; Y272-L300 HydrophobicContact CD2-CB 4.04Å; Y272-L300 HydrophobicContact CE1-CB 4.16Å; Y272-L300 HydrophobicContact CE1-CD1 3.91Å; Y272-L300 HydrophobicContact CE2-CB 3.79Å; Y272-L300 HydrophobicContact CG-CB 4.36Å; Y272-Y301 HydrophobicContact CD2-CD2 4.45Å
273N92.5Very high92.9Very high63 Ų6356.1 Ų56.134%0.33728%0.279SS..Hα-helixtrans-64.7-46178.259.5-19.3000111.2D271 L275 L276 D277D271-N273 VanDerWaalsContact C-N 3.3Å; D271-N273 WeakPolarHBondContact CB-OD1 3.39Å; D271-N273 PolarHBondContact O-N 3.35Å; N273-L275 PolarHBondContact O-N 3.47Å; N273-L276 PolarHBondContact O-N 3.46Å; N273-D277 WeakPolarHBondContact O-CB 3.12Å; N273-D277 PolarHBondContact O-N 2.86Å; N273-D277 VanDerWaalsContact O-OD2 3.12Å
274V93.3Very high92.9Very high25 Ų2556.6 Ų56.615%0.15227%0.274CS..Hα-helixtrans-62.9-45-179179.60000111.3V267 R269 D271 G278V267-V274 HydrophobicContact CB-CG1 3.75Å; V267-V274 HydrophobicContact CG1-CG1 4.03Å; V267-V274 HydrophobicContact CG2-CG1 4.32Å; R269-V274 HydrophobicContact CB-CG2 4.48Å; D271-V274 HydrophobicContact CB-CB 4.49Å; D271-V274 HydrophobicContact CB-CG2 4.13Å; D271-V274 PolarHBondContact O-N 2.91Å; V274-G278 PolarHBondContact O-N 2.93Å
275L92.9Very high93Very high1 Ų154.1 Ų54.11%0.00527%0.265CS..Hα-helixtrans-66.9-48.1179-77.6163.6000111.7L234 Y236 V267 D271 N273 G278 I279 M287 Y297L234-L275 WeakPolarHBondContact CD2-O 3.28Å; Y236-L275 HydrophobicContact CD1-CD1 4.09Å; Y236-L275 HydrophobicContact CD1-CD2 4.29Å; V267-L275 HydrophobicContact CG2-CD2 3.49Å; V267-L275 VanDerWaalsContact CG2-CD2 3.49Å; V267-L275 HydrophobicContact CG2-CG 4.11Å; D271-L275 PolarHBondContact O-N 3.46Å; D271-L275 VanDerWaalsContact O-N 3.13Å; N273-L275 PolarHBondContact O-N 3.47Å; L275-G278 PolarHBondContact O-N 3.21Å; L275-I279 PolarHBondContact O-N 3.25Å; L275-M287 HydrophobicContact CB-SD 4.07Å; L275-M287 HydrophobicContact CD2-SD 4.33Å; L275-Y297 HydrophobicContact CD1-CD2 4.48Å; L275-Y297 HydrophobicContact CD1-CE2 3.83Å
276L94.3Very high93Very high0 Ų051.9 Ų51.90%026%0.256CS..Hα-helixtrans-73.2-33.9-177-63.2179.5000112.6Y272 N273 G278 I279 L280 M287 Y301 L307Y272-L276 VanDerWaalsContact O-CB 3.29Å; Y272-L276 WeakPolarHBondContact O-CB 3.29Å; Y272-L276 VanDerWaalsContact O-CG 3.22Å; Y272-L276 WeakPolarHBondContact O-CG 3.23Å; Y272-L276 PolarHBondContact O-N 2.95Å; N273-L276 PolarHBondContact O-N 3.46Å; L276-G278 VanDerWaalsContact C-N 3.32Å; L276-I279 HydrophobicContact CD2-CD1 3.88Å; L276-I279 PolarHBondContact O-N 2.91Å; L276-L280 PolarHBondContact O-N 3.12Å; L276-M287 HydrophobicContact CD2-CE 3.86Å; L276-Y301 HydrophobicContact CB-CD1 3.98Å; L276-Y301 HydrophobicContact CB-CD2 3.98Å; L276-Y301 HydrophobicContact CB-CE1 3.89Å; L276-Y301 HydrophobicContact CB-CE2 3.91Å; L276-Y301 HydrophobicContact CB-CG 4.03Å; L276-Y301 VanDerWaalsContact CD1-CB 3.47Å; L276-Y301 HydrophobicContact CD1-CD1 3.79Å; L276-Y301 HydrophobicContact CD1-CD2 4.04Å; L276-Y301 HydrophobicContact CD1-CG 3.5Å; L276-Y301 HydrophobicContact CG-CG 4.43Å; L276-L307 HydrophobicContact CB-CD1 4.41Å; L276-L307 HydrophobicContact CD1-CD1 4.09Å; L276-L307 HydrophobicContact CD2-CD1 3.81Å; L276-L307 HydrophobicContact CG-CD1 4.32Å
277D95.3Very high93.1Very high72 Ų7246.2 Ų46.239%0.38523%0.234SC..Hα-helixtrans-63.7-39170.9-72-27.1000110.9N273 I279 L280 E281 Y301N273-D277 WeakPolarHBondContact O-CB 3.12Å; N273-D277 PolarHBondContact O-N 2.86Å; N273-D277 VanDerWaalsContact O-OD2 3.12Å; D277-I279 VanDerWaalsContact C-N 3.3Å; D277-I279 PolarHBondContact O-N 2.97Å; D277-L280 CarbonylContact O-C 3.56Å; D277-L280 PolarHBondContact O-N 3.14Å; D277-E281 WeakPolarHBondContact O-CB 3.22Å; D277-E281 PolarHBondContact O-N 3.04Å; D277-Y301 VanDerWaalsContact OD1-CE2 3.3Å; D277-Y301 WeakPolarHBondContact OD1-CE2 3.46Å; D277-Y301 VanDerWaalsContact OD1-CZ 3.3Å; D277-Y301 PolarHBondContact OD1-OH 3.34Å
278G95.1Very high93.2Very high3 Ų346.1 Ų46.13%0.03123%0.233CC..Hα-helixtrans-59.3-37.9174.800000113.2V274 L275 L276 L280 E281 Y282V274-G278 PolarHBondContact O-N 2.93Å; L275-G278 PolarHBondContact O-N 3.21Å; L276-G278 VanDerWaalsContact C-N 3.32Å; G278-L280 VanDerWaalsContact C-N 3.31Å; G278-L280 PolarHBondContact O-N 3.17Å; G278-E281 PolarHBondContact O-N 3.44Å; G278-Y282 VanDerWaalsContact O-CD2 3.26Å; G278-Y282 WeakPolarHBondContact O-CD2 3.47Å; G278-Y282 PolarHBondContact O-N 3.49Å; G278-Y282 VanDerWaalsContact O-N 3.11Å
279I96Very high93.4Very high0 Ų042.2 Ų42.20%021%0.211CC..Hα-helixtrans-63.9-38.4173.5-60.6172.8000110.9W109 R111 L234 L275 L276 D277 Y282 M287 L307W109-I279 HydrophobicContact CB-CD1 3.82Å; R111-I279 HydrophobicContact CB-CG2 4.35Å; R111-I279 VanDerWaalsContact N-CG2 3.34Å; L234-I279 HydrophobicContact CD2-CG1 3.57Å; L275-I279 PolarHBondContact O-N 3.25Å; L276-I279 HydrophobicContact CD2-CD1 3.88Å; L276-I279 PolarHBondContact O-N 2.91Å; D277-I279 VanDerWaalsContact C-N 3.3Å; D277-I279 PolarHBondContact O-N 2.97Å; I279-Y282 VanDerWaalsContact O-O 3.1Å; I279-M287 HydrophobicContact CD1-CB 3.64Å; I279-M287 HydrophobicContact CD1-CE 3.99Å; I279-M287 HydrophobicContact CD1-SD 4.26Å; I279-M287 HydrophobicContact CG1-CB 4.15Å; I279-L307 HydrophobicContact CB-CD2 4.26Å; I279-L307 HydrophobicContact CG2-CD2 3.97Å
280L94.9Very high93.6Very high23 Ų2338.2 Ų38.212%0.1220%0.202CC..Hα-helixtrans-75.5-34.5179.9-62.8-169.1000112.8R111 L276 D277 G278 Y301 N303 K306 L307R111-L280 HydrophobicContact CG-CD2 4.18Å; R111-L280 PolarHBondContact NH1-O 2.88Å; L276-L280 PolarHBondContact O-N 3.12Å; D277-L280 CarbonylContact O-C 3.56Å; D277-L280 PolarHBondContact O-N 3.14Å; G278-L280 VanDerWaalsContact C-N 3.31Å; G278-L280 PolarHBondContact O-N 3.17Å; L280-Y301 HydrophobicContact CD1-CE1 4.15Å; L280-Y301 WeakPolarHBondContact CD1-OH 3.27Å; L280-N303 HydrophobicContact CD1-CB 3.95Å; L280-K306 HydrophobicContact CD1-CB 4.28Å; L280-K306 HydrophobicContact CD1-CD 4.08Å; L280-K306 HydrophobicContact CD2-CB 3.7Å; L280-L307 HydrophobicContact CD2-CD2 3.77Å; L280-L307 HydrophobicContact CG-CD2 4.3Å
281E95.2Very high93.7Very high126 Ų12636.5 Ų36.559%0.58919%0.19SC*.Hα-helixtrans-66.8-44.1178.3-171.7-178.3153.200111.6D277 G278 P283D277-E281 WeakPolarHBondContact O-CB 3.22Å; D277-E281 PolarHBondContact O-N 3.04Å; G278-E281 PolarHBondContact O-N 3.44Å; E281-P283 WeakPolarHBondContact O-CD 3.34Å
282Y95.4Very high93.7Very high76 Ų7634 Ų3430%0.29818%0.177SC..SBendtrans-105.9105.2-177.1-56.7-59.5000111.1Y265 G278 I279 N284 A285Y265-Y282 HydrophobicContact CD1-CD1 4.21Å; Y265-Y282 AromaticContact CD1-CD2 3.82Å; Y265-Y282 HydrophobicContact CD1-CD2 3.82Å; Y265-Y282 HydrophobicContact CD1-CE1 4.37Å; Y265-Y282 AromaticContact CD1-CE2 3.99Å; Y265-Y282 HydrophobicContact CD1-CE2 3.99Å; Y265-Y282 AromaticContact CD1-CG 3.97Å; Y265-Y282 HydrophobicContact CD1-CG 3.97Å; Y265-Y282 HydrophobicContact CD2-CD2 4.3Å; Y265-Y282 HydrophobicContact CD2-CG 4.34Å; Y265-Y282 AromaticContact CE1-CD1 3.74Å; Y265-Y282 HydrophobicContact CE1-CD1 3.74Å; Y265-Y282 HydrophobicContact CE1-CD2 4.14Å; Y265-Y282 HydrophobicContact CE1-CE1 4.11Å; Y265-Y282 HydrophobicContact CE1-CE2 4.47Å; Y265-Y282 AromaticContact CE1-CG 3.78Å; Y265-Y282 HydrophobicContact CE1-CG 3.78Å; Y265-Y282 HydrophobicContact CE2-CG 4.15Å; Y265-Y282 AromaticContact CG-CD2 3.93Å; Y265-Y282 HydrophobicContact CG-CD2 3.93Å; Y265-Y282 HydrophobicContact CG-CE2 4.37Å; Y265-Y282 HydrophobicContact CG-CG 4.25Å; Y265-Y282 AromaticContact CZ-CG 3.89Å; G278-Y282 VanDerWaalsContact O-CD2 3.26Å; G278-Y282 WeakPolarHBondContact O-CD2 3.47Å; G278-Y282 PolarHBondContact O-N 3.49Å; G278-Y282 VanDerWaalsContact O-N 3.11Å; I279-Y282 VanDerWaalsContact O-O 3.1Å; Y282-N284 PolarHBondContact O-N 2.89Å; Y282-A285 WeakPolarHBondContact O-CB 3.24Å; Y282-A285 PolarHBondContact O-N 2.86Å
283P92.4Very high93.5Very high88 Ų8831.4 Ų31.457%0.57117%0.168SC*.THydrogen-bonded Turntrans-59.4-21.9-174.2-25.434.9000115.4E281E281-P283 WeakPolarHBondContact O-CD 3.34Å
284N96Very high93.2Very high42 Ų4228.4 Ų28.423%0.22515%0.152CC..THydrogen-bonded Turntrans-108.412.6-179.866-33.4000113.2E230 Y231 K232 Y265 Y282E230-N284 VanDerWaalsContact O-CB 3.24Å; E230-N284 WeakPolarHBondContact O-CB 3.35Å; Y231-N284 CarbonylContact C-O 3.54Å; Y231-N284 WeakPolarHBondContact CA-O 3.33Å; Y231-N284 HydrophobicContact CD1-CB 4.33Å; Y231-N284 WeakPolarHBondContact CD1-O 3.47Å; K232-N284 PolarHBondContact N-O 2.9Å; Y265-N284 PolarHBondContact OH-ND2 3.33Å; Y265-N284 PolarHBondContact OH-OD1 3.42Å; Y282-N284 PolarHBondContact O-N 2.89Å
285A97.5Very high93Very high0 Ų027.7 Ų27.70%015%0.147CC..EExtended strand (participates in β ladder)trans-75.9137.4171.600000111.1K232 L234 Y265 Y282K232-A285 CarbonylContact O-C 3.53Å; K232-A285 WeakPolarHBondContact O-CA 3.48Å; L234-A285 HydrophobicContact CB-CB 4.22Å; Y265-A285 HydrophobicContact CD2-CB 3.78Å; Y265-A285 HydrophobicContact CE2-CB 4.04Å; Y282-A285 WeakPolarHBondContact O-CB 3.24Å; Y282-A285 PolarHBondContact O-N 2.86Å
286V97.2Very high92.7Very high0 Ų027.6 Ų27.60%015%0.147CC..EExtended strand (participates in β ladder)trans-123.2122.7172.2-171.30000108.5F108 I110 F216 L222 Y231 K232 L233 L234 V288F108-V286 HydrophobicContact CB-CG1 4.11Å; I110-V286 HydrophobicContact CG2-CB 4.22Å; I110-V286 HydrophobicContact CG2-CG1 3.99Å; I110-V286 HydrophobicContact CG2-CG2 3.82Å; F216-V286 HydrophobicContact CE1-CG2 4.04Å; F216-V286 HydrophobicContact CE2-CG1 4.39Å; F216-V286 HydrophobicContact CZ-CG1 3.81Å; F216-V286 HydrophobicContact CZ-CG2 3.86Å; L222-V286 HydrophobicContact CD1-CB 4.39Å; L222-V286 HydrophobicContact CD1-CG1 4.2Å; L222-V286 HydrophobicContact CD1-CG2 4Å; L222-V286 HydrophobicContact CD2-CG1 4.06Å; Y231-V286 HydrophobicContact CD1-CG2 3.36Å; Y231-V286 HydrophobicContact CE1-CG2 4.23Å; Y231-V286 HydrophobicContact CG-CG2 3.92Å; K232-V286 PolarHBondContact O-N 3.3Å; L233-V286 CarbonylContact C-O 3.49Å; L233-V286 WeakPolarHBondContact CA-O 3.36Å; L233-V286 HydrophobicContact CD2-CB 4.5Å; L234-V286 PolarHBondContact N-O 2.94Å; V286-V288 HydrophobicContact CG1-CG2 4.27Å
287M95.8Very high92.5Very high0 Ų028.2 Ų28.20%015%0.149CC..EExtended strand (participates in β ladder)trans-97.9124.7168.4-180-1787300108.7W109 L275 L276 I279 K289W109-M287 HydrophobicContact CB-CB 4.23Å; W109-M287 HydrophobicContact CB-CE 3.91Å; W109-M287 HydrophobicContact CD2-CE 4.44Å; W109-M287 HydrophobicContact CG-CE 3.93Å; W109-M287 PolarHBondContact N-O 3.33Å; W109-M287 PolarHBondContact O-N 3.46Å; L275-M287 HydrophobicContact CB-SD 4.07Å; L275-M287 HydrophobicContact CD2-SD 4.33Å; L276-M287 HydrophobicContact CD2-CE 3.86Å; I279-M287 HydrophobicContact CD1-CB 3.64Å; I279-M287 HydrophobicContact CD1-CE 3.99Å; I279-M287 HydrophobicContact CD1-SD 4.26Å; I279-M287 HydrophobicContact CG1-CB 4.15Å; M287-K289 HydrophobicContact CE-CG 4.29Å; M287-K289 HydrophobicContact CG-CG 3.85Å; M287-K289 HydrophobicContact SD-CG 4.03Å
288V95Very high92.2Very high16 Ų1624.8 Ų24.810%0.09713%0.13CC..EExtended strand (participates in β ladder)trans-104.6116.1174.8-169.20000108.4Q106 T107 F108 L222 L233 P245 V286Q106-V288 HydrophobicContact CG-CG1 3.61Å; T107-V288 WeakPolarHBondContact O-CA 3.36Å; F108-V288 HydrophobicContact CD1-CB 4.43Å; F108-V288 HydrophobicContact CD1-CG1 3.95Å; F108-V288 HydrophobicContact CD1-CG2 3.9Å; F108-V288 HydrophobicContact CE1-CG1 3.99Å; F108-V288 HydrophobicContact CE1-CG2 4.34Å; L222-V288 HydrophobicContact CD2-CG2 3.9Å; L233-V288 HydrophobicContact CD2-CG2 3.76Å; P245-V288 HydrophobicContact CB-CB 4.02Å; P245-V288 HydrophobicContact CB-CG1 3.55Å; P245-V288 HydrophobicContact CB-CG2 4.49Å; P245-V288 HydrophobicContact CG-CB 4.46Å; P245-V288 HydrophobicContact CG-CG1 4.25Å; P245-V288 HydrophobicContact CG-CG2 4.4Å; V286-V288 HydrophobicContact CG1-CG2 4.27Å
289K91.6Very high91.8Very high33 Ų3327 Ų2714%0.14314%0.141CC..EExtended strand (participates in β ladder)trans-147.3161.7-179.4-74.1-60.7176.6-164.10110.8T107 H235 M287 F293 A294T107-K289 PolarHBondContact N-O 2.88Å; T107-K289 PolarHBondContact O-N 3.25Å; T107-K289 VanDerWaalsContact O-O 3.07Å; T107-K289 PolarHBondContact OG1-O 3.48Å; H235-K289 PolarHBondContact NE2-NZ 2.9Å; M287-K289 HydrophobicContact CE-CG 4.29Å; M287-K289 HydrophobicContact CG-CG 3.85Å; M287-K289 HydrophobicContact SD-CG 4.03Å; K289-F293 HydrophobicContact CB-CD1 4.02Å; K289-F293 HydrophobicContact CD-CD1 4.08Å; K289-F293 HydrophobicContact CD-CE1 4.03Å; K289-F293 HydrophobicContact CG-CD1 3.92Å; K289-F293 HydrophobicContact CG-CE1 4.04Å; K289-A294 HydrophobicContact CB-CB 4.22Å
290S90Very high91.4Very high44 Ų4430.5 Ų30.531%0.30816%0.159SC..EExtended strand (participates in β ladder)trans-65.4148.5173.485.20000110.8D104 E105 T292 F293 A294D104-S290 VanDerWaalsContact CG-CB 3.45Å; D104-S290 WeakPolarHBondContact OD2-CB 3.48Å; D104-S290 PolarHBondContact OD2-OG 2.83Å; E105-S290 CarbonylContact O-C 3.55Å; E105-S290 WeakPolarHBondContact O-CA 3.44Å; S290-T292 VanDerWaalsContact C-N 3.33Å; S290-T292 PolarHBondContact O-N 3.41Å; S290-F293 PolarHBondContact O-N 2.91Å; S290-F293 WeakPolarHBondContact OG-CB 3.48Å; S290-A294 WeakPolarHBondContact O-CB 3.43Å; S290-A294 PolarHBondContact O-N 3.23Å
291S89.7Confident91.2Very high12 Ų1229.7 Ų29.78%0.08415%0.154CC..Hα-helixtrans-58.8-45.9-172.865.40000111.8D104 E105 F293 A294 D295D104-S291 PolarHBondContact OD1-N 2.96Å; D104-S291 PolarHBondContact OD1-OG 2.8Å; E105-S291 PolarHBondContact N-OG 3.32Å; E105-S291 WeakPolarHBondContact O-CB 3.4Å; E105-S291 PolarHBondContact O-N 2.99Å; S291-F293 PolarHBondContact O-N 3.48Å; S291-A294 PolarHBondContact O-N 3.12Å; S291-D295 WeakPolarHBondContact O-CB 3.3Å; S291-D295 PolarHBondContact O-N 3.32Å
292T87.9Confident91Very high11 Ų1128.4 Ų28.47%0.06716%0.159CC..Hα-helixtrans-61.9-48.4-179.4-59.30000110.7Y30 D104 S290 A294 V296 L349Y30-T292 HydrophobicContact CE2-CG2 4.47Å; D104-T292 WeakPolarHBondContact OD1-CB 3.29Å; D104-T292 PolarHBondContact OD1-N 2.69Å; D104-T292 PolarHBondContact OD1-OG1 2.91Å; S290-T292 VanDerWaalsContact C-N 3.33Å; S290-T292 PolarHBondContact O-N 3.41Å; T292-A294 PolarHBondContact O-N 2.97Å; T292-V296 VanDerWaalsContact O-CG2 3.23Å; T292-V296 WeakPolarHBondContact O-CG2 3.03Å; T292-V296 PolarHBondContact O-N 3.46Å; T292-V296 VanDerWaalsContact O-N 3.13Å; T292-L349 HydrophobicContact CG2-CD1 3.86Å; T292-L349 HydrophobicContact CG2-CD2 4.18Å
293F86.6Confident90.8Very high25 Ų2527.6 Ų27.611%0.1116%0.16CC..Hα-helixtrans-58.5-50.4178.2-178.5-87000111.2W13 K289 S290 S291 D295 V296 Y297W13-F293 AromaticContact CH2-CD2 3.45Å; W13-F293 HydrophobicContact CH2-CD2 3.45Å; W13-F293 VanDerWaalsContact CH2-CD2 3.45Å; W13-F293 AromaticContact CH2-CE2 3.96Å; W13-F293 HydrophobicContact CH2-CE2 3.96Å; W13-F293 AromaticContact CZ2-CD2 3.41Å; W13-F293 HydrophobicContact CZ2-CD2 3.41Å; W13-F293 VanDerWaalsContact CZ2-CD2 3.41Å; W13-F293 AromaticContact CZ2-CE2 3.8Å; W13-F293 HydrophobicContact CZ2-CE2 3.8Å; W13-F293 HydrophobicContact CZ2-CG 4.46Å; K289-F293 HydrophobicContact CB-CD1 4.02Å; K289-F293 HydrophobicContact CD-CD1 4.08Å; K289-F293 HydrophobicContact CD-CE1 4.03Å; K289-F293 HydrophobicContact CG-CD1 3.92Å; K289-F293 HydrophobicContact CG-CE1 4.04Å; S290-F293 PolarHBondContact O-N 2.91Å; S290-F293 WeakPolarHBondContact OG-CB 3.48Å; S291-F293 PolarHBondContact O-N 3.48Å; F293-D295 PolarHBondContact O-N 3.42Å; F293-V296 PolarHBondContact O-N 3.48Å; F293-Y297 AromaticContact CD1-CD1 3.95Å; F293-Y297 HydrophobicContact CD1-CD1 3.95Å; F293-Y297 HydrophobicContact CD1-CD2 4.47Å; F293-Y297 AromaticContact CD1-CE1 3.9Å; F293-Y297 HydrophobicContact CD1-CE1 3.9Å; F293-Y297 HydrophobicContact CD1-CG 4.27Å; F293-Y297 AromaticContact CD2-CE1 3.93Å; F293-Y297 HydrophobicContact CD2-CE1 3.93Å; F293-Y297 AromaticContact CE1-CD1 3.8Å; F293-Y297 HydrophobicContact CE1-CD1 3.8Å; F293-Y297 AromaticContact CE1-CD2 3.8Å; F293-Y297 HydrophobicContact CE1-CD2 3.8Å; F293-Y297 AromaticContact CE1-CE1 3.41Å; F293-Y297 HydrophobicContact CE1-CE1 3.41Å; F293-Y297 VanDerWaalsContact CE1-CE1 3.41Å; F293-Y297 AromaticContact CE1-CE2 3.51Å; F293-Y297 HydrophobicContact CE1-CE2 3.51Å; F293-Y297 HydrophobicContact CE1-CG 4Å; F293-Y297 AromaticContact CE1-CZ 3.34Å; F293-Y297 HydrophobicContact CE2-CD1 4.38Å; F293-Y297 AromaticContact CE2-CE1 3.44Å; F293-Y297 HydrophobicContact CE2-CE1 3.44Å; F293-Y297 VanDerWaalsContact CE2-CE1 3.44Å; F293-Y297 AromaticContact CE2-CZ 3.65Å; F293-Y297 HydrophobicContact CG-CD1 4.33Å; F293-Y297 HydrophobicContact CG-CE1 4.15Å; F293-Y297 HydrophobicContact CZ-CD1 4.06Å; F293-Y297 HydrophobicContact CZ-CD2 4.32Å; F293-Y297 AromaticContact CZ-CE1 3.2Å; F293-Y297 HydrophobicContact CZ-CE1 3.2Å; F293-Y297 AromaticContact CZ-CE2 3.59Å; F293-Y297 HydrophobicContact CZ-CE2 3.59Å; F293-Y297 AromaticContact CZ-CZ 2.99Å; F293-Y297 WeakPolarHBondContact CZ-OH 3.5Å; F293-Y297 WeakPolarHBondContact O-CD1 3.24Å; F293-Y297 PolarHBondContact O-N 3.47Å
294A85.9Confident90.6Very high0 Ų025.7 Ų25.70%014%0.142CC..Hα-helixtrans-71.3-34.7-172.900000112.5W109 K289 S290 S291 T292 Y297 A298W109-A294 HydrophobicContact CD2-CB 4.17Å; W109-A294 HydrophobicContact CG-CB 4.46Å; W109-A294 HydrophobicContact CH2-CB 4.47Å; W109-A294 HydrophobicContact CZ2-CB 3.45Å; W109-A294 VanDerWaalsContact CZ2-CB 3.45Å; K289-A294 HydrophobicContact CB-CB 4.22Å; S290-A294 WeakPolarHBondContact O-CB 3.43Å; S290-A294 PolarHBondContact O-N 3.23Å; S291-A294 PolarHBondContact O-N 3.12Å; T292-A294 PolarHBondContact O-N 2.97Å; A294-Y297 WeakPolarHBondContact O-CB 3.33Å; A294-Y297 PolarHBondContact O-N 3.35Å; A294-A298 WeakPolarHBondContact O-CB 3.4Å; A294-A298 PolarHBondContact O-N 3.18Å
295D87.7Confident90.3Very high9 Ų927.7 Ų27.75%0.04816%0.156CC..Hα-helixtrans-69-36.1176.2-69.9-25.4000112.3S291 F293 A298 M299 R309 V353 S356 T357S291-D295 WeakPolarHBondContact O-CB 3.3Å; S291-D295 PolarHBondContact O-N 3.32Å; F293-D295 PolarHBondContact O-N 3.42Å; D295-A298 PolarHBondContact O-N 3.27Å; D295-M299 PolarHBondContact O-N 2.79Å; D295-R309 IonicContact OD1-CZ 3.68Å; D295-R309 IonicContact OD1-NE 3.59Å; D295-R309 IonicContact OD1-NH1 3.69Å; D295-R309 PolarHBondContact OD1-NH1 2.97Å; D295-R309 IonicContact OD2-CZ 3.39Å; D295-R309 IonicContact OD2-NH1 3.55Å; D295-R309 PolarHBondContact OD2-NH1 3.05Å; D295-R309 IonicContact OD2-NH2 3.79Å; D295-V353 HydrophobicContact CB-CG1 3.14Å; D295-S356 WeakPolarHBondContact O-CB 3.43Å; D295-S356 PolarHBondContact O-OG 3.37Å; D295-T357 WeakPolarHBondContact OD2-CG2 3.23Å
296V87.9Confident90Very high0 Ų032.7 Ų32.70%018%0.177CC..Hα-helixtrans-64.8-42.8172.2173.90000110.4F14 M15 Y30 T292 F293 A298 M299 V353F14-V296 HydrophobicContact CE2-CG1 3.61Å; F14-V296 HydrophobicContact CZ-CG1 3.48Å; F14-V296 VanDerWaalsContact CZ-CG1 3.48Å; M15-V296 HydrophobicContact CE-CG1 4.07Å; M15-V296 HydrophobicContact CG-CG1 3.55Å; M15-V296 HydrophobicContact SD-CG1 3.72Å; Y30-V296 HydrophobicContact CE1-CG2 4.16Å; T292-V296 VanDerWaalsContact O-CG2 3.23Å; T292-V296 WeakPolarHBondContact O-CG2 3.03Å; T292-V296 PolarHBondContact O-N 3.46Å; T292-V296 VanDerWaalsContact O-N 3.13Å; F293-V296 PolarHBondContact O-N 3.48Å; V296-A298 VanDerWaalsContact C-N 3.33Å; V296-A298 PolarHBondContact O-N 3.37Å; V296-M299 WeakPolarHBondContact O-CB 3.48Å; V296-M299 PolarHBondContact O-N 3.48Å; V296-V353 HydrophobicContact CG2-CG2 3.73Å
297Y89.2Confident89.8Confident12 Ų1232.7 Ų32.75%0.04718%0.177CC..Hα-helixtrans-60.7-45.4176.6-86.445.2000111F14 S270 Y272 L275 F293 A294 M299 L300 Y301F14-Y297 HydrophobicContact CE1-CD1 4.07Å; F14-Y297 AromaticContact CE1-CE1 3.42Å; F14-Y297 HydrophobicContact CE1-CE1 3.42Å; F14-Y297 VanDerWaalsContact CE1-CE1 3.42Å; F14-Y297 AromaticContact CZ-CD1 3.87Å; F14-Y297 HydrophobicContact CZ-CD1 3.87Å; F14-Y297 AromaticContact CZ-CE1 3.72Å; F14-Y297 HydrophobicContact CZ-CE1 3.72Å; S270-Y297 WeakPolarHBondContact O-CE2 3.47Å; S270-Y297 PolarHBondContact O-OH 3.5Å; Y272-Y297 VanDerWaalsContact CA-CE2 3.42Å; L275-Y297 HydrophobicContact CD1-CD2 4.48Å; L275-Y297 HydrophobicContact CD1-CE2 3.83Å; F293-Y297 AromaticContact CD1-CD1 3.95Å; F293-Y297 HydrophobicContact CD1-CD1 3.95Å; F293-Y297 HydrophobicContact CD1-CD2 4.47Å; F293-Y297 AromaticContact CD1-CE1 3.9Å; F293-Y297 HydrophobicContact CD1-CE1 3.9Å; F293-Y297 HydrophobicContact CD1-CG 4.27Å; F293-Y297 AromaticContact CD2-CE1 3.93Å; F293-Y297 HydrophobicContact CD2-CE1 3.93Å; F293-Y297 AromaticContact CE1-CD1 3.8Å; F293-Y297 HydrophobicContact CE1-CD1 3.8Å; F293-Y297 AromaticContact CE1-CD2 3.8Å; F293-Y297 HydrophobicContact CE1-CD2 3.8Å; F293-Y297 AromaticContact CE1-CE1 3.41Å; F293-Y297 HydrophobicContact CE1-CE1 3.41Å; F293-Y297 VanDerWaalsContact CE1-CE1 3.41Å; F293-Y297 AromaticContact CE1-CE2 3.51Å; F293-Y297 HydrophobicContact CE1-CE2 3.51Å; F293-Y297 HydrophobicContact CE1-CG 4Å; F293-Y297 AromaticContact CE1-CZ 3.34Å; F293-Y297 HydrophobicContact CE2-CD1 4.38Å; F293-Y297 AromaticContact CE2-CE1 3.44Å; F293-Y297 HydrophobicContact CE2-CE1 3.44Å; F293-Y297 VanDerWaalsContact CE2-CE1 3.44Å; F293-Y297 AromaticContact CE2-CZ 3.65Å; F293-Y297 HydrophobicContact CG-CD1 4.33Å; F293-Y297 HydrophobicContact CG-CE1 4.15Å; F293-Y297 HydrophobicContact CZ-CD1 4.06Å; F293-Y297 HydrophobicContact CZ-CD2 4.32Å; F293-Y297 AromaticContact CZ-CE1 3.2Å; F293-Y297 HydrophobicContact CZ-CE1 3.2Å; F293-Y297 AromaticContact CZ-CE2 3.59Å; F293-Y297 HydrophobicContact CZ-CE2 3.59Å; F293-Y297 AromaticContact CZ-CZ 2.99Å; F293-Y297 WeakPolarHBondContact CZ-OH 3.5Å; F293-Y297 WeakPolarHBondContact O-CD1 3.24Å; F293-Y297 PolarHBondContact O-N 3.47Å; A294-Y297 WeakPolarHBondContact O-CB 3.33Å; A294-Y297 PolarHBondContact O-N 3.35Å; Y297-M299 VanDerWaalsContact C-N 3.32Å; Y297-M299 PolarHBondContact O-N 2.89Å; Y297-L300 PolarHBondContact O-N 3.49Å; Y297-Y301 PolarHBondContact O-N 2.97Å
298A89Confident89.7Confident0 Ų033 Ų330%018%0.178CC..Hα-helixtrans-64.7-35178.200000112.5W109 A294 D295 V296 L300 Y301 R304 V360W109-A298 HydrophobicContact CH2-CB 3.47Å; W109-A298 VanDerWaalsContact CH2-CB 3.47Å; W109-A298 HydrophobicContact CZ3-CB 3.7Å; A294-A298 WeakPolarHBondContact O-CB 3.4Å; A294-A298 PolarHBondContact O-N 3.18Å; D295-A298 PolarHBondContact O-N 3.27Å; V296-A298 VanDerWaalsContact C-N 3.33Å; V296-A298 PolarHBondContact O-N 3.37Å; A298-L300 VanDerWaalsContact C-N 3.26Å; A298-L300 PolarHBondContact O-N 2.87Å; A298-Y301 PolarHBondContact O-N 3.42Å; A298-Y301 VanDerWaalsContact O-N 3.08Å; A298-R304 VanDerWaalsContact O-CD 3.3Å; A298-R304 WeakPolarHBondContact O-CD 3.4Å; A298-V360 HydrophobicContact CB-CG2 3.8Å
299M87.1Confident89.6Confident50 Ų5033.6 Ų33.625%0.24618%0.179CC..Hα-helixtrans-55.2-42.2176.8-175-17464.400112.2M15 D295 V296 Y297 Y301M15-M299 HydrophobicContact CE-CE 4.04Å; M15-M299 HydrophobicContact SD-CE 4.34Å; D295-M299 PolarHBondContact O-N 2.79Å; V296-M299 WeakPolarHBondContact O-CB 3.48Å; V296-M299 PolarHBondContact O-N 3.48Å; Y297-M299 VanDerWaalsContact C-N 3.32Å; Y297-M299 PolarHBondContact O-N 2.89Å; M299-Y301 VanDerWaalsContact C-N 3.33Å
300L86.8Confident89.7Confident73 Ų7332.5 Ų32.538%0.38217%0.174SC..Hα-helixtrans-82.1-11.7-179.3-61.8-178.3000113.5F14 Y272 Y297 A298F14-L300 HydrophobicContact CD2-CD1 3.73Å; F14-L300 HydrophobicContact CE2-CD1 3.37Å; F14-L300 HydrophobicContact CZ-CD1 4.3Å; Y272-L300 HydrophobicContact CD1-CB 4.4Å; Y272-L300 HydrophobicContact CD1-CD1 4.08Å; Y272-L300 HydrophobicContact CD2-CB 4.04Å; Y272-L300 HydrophobicContact CE1-CB 4.16Å; Y272-L300 HydrophobicContact CE1-CD1 3.91Å; Y272-L300 HydrophobicContact CE2-CB 3.79Å; Y272-L300 HydrophobicContact CG-CB 4.36Å; Y297-L300 PolarHBondContact O-N 3.49Å; A298-L300 VanDerWaalsContact C-N 3.26Å; A298-L300 PolarHBondContact O-N 2.87Å
301Y91.4Very high89.7Confident6 Ų632.4 Ų32.42%0.02418%0.177CC..  trans-92.9127-173.1-169.5-115.5000112.3Y272 L276 D277 L280 Y297 A298 M299 N303 R304 L307Y272-Y301 HydrophobicContact CD2-CD2 4.45Å; L276-Y301 HydrophobicContact CB-CD1 3.98Å; L276-Y301 HydrophobicContact CB-CD2 3.98Å; L276-Y301 HydrophobicContact CB-CE1 3.89Å; L276-Y301 HydrophobicContact CB-CE2 3.91Å; L276-Y301 HydrophobicContact CB-CG 4.03Å; L276-Y301 VanDerWaalsContact CD1-CB 3.47Å; L276-Y301 HydrophobicContact CD1-CD1 3.79Å; L276-Y301 HydrophobicContact CD1-CD2 4.04Å; L276-Y301 HydrophobicContact CD1-CG 3.5Å; L276-Y301 HydrophobicContact CG-CG 4.43Å; D277-Y301 VanDerWaalsContact OD1-CE2 3.3Å; D277-Y301 WeakPolarHBondContact OD1-CE2 3.46Å; D277-Y301 VanDerWaalsContact OD1-CZ 3.3Å; D277-Y301 PolarHBondContact OD1-OH 3.34Å; L280-Y301 HydrophobicContact CD1-CE1 4.15Å; L280-Y301 WeakPolarHBondContact CD1-OH 3.27Å; Y297-Y301 PolarHBondContact O-N 2.97Å; A298-Y301 PolarHBondContact O-N 3.42Å; A298-Y301 VanDerWaalsContact O-N 3.08Å; M299-Y301 VanDerWaalsContact C-N 3.33Å; Y301-N303 HydrophobicContact CD1-CB 4.21Å; Y301-N303 HydrophobicContact CE1-CB 3.47Å; Y301-N303 VanDerWaalsContact CE1-CB 3.47Å; Y301-R304 HydrophobicContact CD1-CB 4.37Å; Y301-R304 PolarHBondContact O-NH1 2.86Å; Y301-L307 HydrophobicContact CD1-CD1 3.92Å; Y301-L307 HydrophobicContact CE1-CD1 4.19Å
302S90.4Very high89.9Confident99 Ų9932.4 Ų32.469%0.69218%0.176SC*.THydrogen-bonded Turntrans-70.4-35.2-175.256.50000113.2R304S302-R304 VanDerWaalsContact C-N 3.33Å; S302-R304 PolarHBondContact O-N 3.37Å
303N91.3Very high90Very high60 Ų6038.4 Ų38.432%0.32120%0.203SC..THydrogen-bonded Turntrans-93.623.4-177-75.1-43000113.5L280 Y301 T305 K306L280-N303 HydrophobicContact CD1-CB 3.95Å; Y301-N303 HydrophobicContact CD1-CB 4.21Å; Y301-N303 HydrophobicContact CE1-CB 3.47Å; Y301-N303 VanDerWaalsContact CE1-CB 3.47Å; N303-T305 PolarHBondContact O-N 3.46Å; N303-T305 VanDerWaalsContact O-N 3.11Å; N303-K306 HydrophobicContact CB-CD 4.32Å; N303-K306 WeakPolarHBondContact O-CB 3.31Å; N303-K306 PolarHBondContact O-N 2.88Å
304R89.8Confident90.1Very high47 Ų4739.5 Ų39.518%0.17722%0.216CC..G310 helixtrans-58.3-25.7-173.863.9-176.1166.5-95.34.1115.4A298 Y301 S302 K306 L307 Q359 V360A298-R304 VanDerWaalsContact O-CD 3.3Å; A298-R304 WeakPolarHBondContact O-CD 3.4Å; Y301-R304 HydrophobicContact CD1-CB 4.37Å; Y301-R304 PolarHBondContact O-NH1 2.86Å; S302-R304 VanDerWaalsContact C-N 3.33Å; S302-R304 PolarHBondContact O-N 3.37Å; R304-K306 PolarHBondContact O-N 3.45Å; R304-K306 VanDerWaalsContact O-N 3.17Å; R304-L307 WeakPolarHBondContact O-CB 3.38Å; R304-L307 PolarHBondContact O-N 3.22Å; R304-Q359 HydrophobicContact CG-CB 4.37Å; R304-V360 HydrophobicContact CB-CG2 4.05Å
305T88.4Confident90.1Very high85 Ų8540.7 Ų40.752%0.52122%0.224SC..G310 helixtrans-67.3-13.2176.164.10000113.5N303 L307 H361N303-T305 PolarHBondContact O-N 3.46Å; N303-T305 VanDerWaalsContact O-N 3.11Å; T305-L307 VanDerWaalsContact C-N 3.33Å; T305-H361 PolarHBondContact O-CD2 2.74Å; T305-H361 VanDerWaalsContact O-CD2 3.31Å; T305-H361 PolarHBondContact O-NE2 2.96Å
306K91.2Very high89.5Confident104 Ų10444.9 Ų44.945%0.45225%0.254SS..G310 helixtrans-90.70.2175-61178.1-176.91650112.5A112 L280 N303 R304A112-K306 WeakPolarHBondContact CB-O 3.45Å; A112-K306 PolarHBondContact N-O 3.15Å; L280-K306 HydrophobicContact CD1-CB 4.28Å; L280-K306 HydrophobicContact CD1-CD 4.08Å; L280-K306 HydrophobicContact CD2-CB 3.7Å; N303-K306 HydrophobicContact CB-CD 4.32Å; N303-K306 WeakPolarHBondContact O-CB 3.31Å; N303-K306 PolarHBondContact O-N 2.88Å; R304-K306 PolarHBondContact O-N 3.45Å; R304-K306 VanDerWaalsContact O-N 3.17Å
307L93.1Very high89.4Confident0 Ų047 Ų470%027%0.269CS..EExtended strand (participates in β ladder)trans-100.7148.6179.3-57.6172.2000109.7W109 L276 I279 L280 Y301 R304 T305 V360 H361W109-L307 HydrophobicContact CE3-CB 4.03Å; W109-L307 HydrophobicContact CE3-CD1 4.01Å; W109-L307 HydrophobicContact CZ3-CB 4.12Å; W109-L307 HydrophobicContact CZ3-CD1 3.9Å; L276-L307 HydrophobicContact CB-CD1 4.41Å; L276-L307 HydrophobicContact CD1-CD1 4.09Å; L276-L307 HydrophobicContact CD2-CD1 3.81Å; L276-L307 HydrophobicContact CG-CD1 4.32Å; I279-L307 HydrophobicContact CB-CD2 4.26Å; I279-L307 HydrophobicContact CG2-CD2 3.97Å; L280-L307 HydrophobicContact CD2-CD2 3.77Å; L280-L307 HydrophobicContact CG-CD2 4.3Å; Y301-L307 HydrophobicContact CD1-CD1 3.92Å; Y301-L307 HydrophobicContact CE1-CD1 4.19Å; R304-L307 WeakPolarHBondContact O-CB 3.38Å; R304-L307 PolarHBondContact O-N 3.22Å; T305-L307 VanDerWaalsContact C-N 3.33Å; L307-V360 HydrophobicContact CB-CG1 4.32Å; L307-H361 WeakPolarHBondContact O-CB 3.49Å; L307-H361 PolarHBondContact O-N 2.85Å
308W93.2Very high89.4Confident6 Ų649.1 Ų49.12%0.02329%0.285CS..EExtended strand (participates in β ladder)trans-124116.2172.9-171.11.4000108.5W109 I110 A112 P113 F212 Y213 A214 I310 H361 N363 L366W109-W308 WeakPolarHBondContact CA-O 3.5Å; I110-W308 HydrophobicContact CD1-CD2 4.38Å; I110-W308 HydrophobicContact CD1-CE3 3.84Å; I110-W308 HydrophobicContact CG1-CB 3.9Å; I110-W308 HydrophobicContact CG1-CE3 4.31Å; I110-W308 HydrophobicContact CG1-CG 4.42Å; I110-W308 PolarHBondContact N-O 2.87Å; I110-W308 PolarHBondContact O-N 2.75Å; A112-W308 HydrophobicContact CB-CB 4.2Å; P113-W308 HydrophobicContact CG-CE3 4.48Å; P113-W308 HydrophobicContact CG-CZ3 4.19Å; F212-W308 WeakPolarHBondContact O-CH2 3.06Å; Y213-W308 WeakPolarHBondContact O-CH2 3.28Å; A214-W308 HydrophobicContact CB-CH2 4.08Å; A214-W308 HydrophobicContact CB-CZ2 3.8Å; W308-I310 HydrophobicContact CG-CG1 4.41Å; W308-H361 HydrophobicContact CB-CB 4.37Å; W308-H361 HydrophobicContact CG-CB 4.29Å; W308-N363 PolarHBondContact NE1-O 3.37Å; W308-L366 HydrophobicContact CB-CD1 4.44Å; W308-L366 HydrophobicContact CD2-CD1 3.47Å; W308-L366 VanDerWaalsContact CD2-CD1 3.47Å; W308-L366 HydrophobicContact CD2-CG 3.96Å; W308-L366 HydrophobicContact CE3-CD1 3.69Å; W308-L366 HydrophobicContact CE3-CG 4.35Å; W308-L366 HydrophobicContact CG-CD1 3.85Å; W308-L366 HydrophobicContact CG-CG 4.5Å; W308-L366 HydrophobicContact CH2-CD1 4.15Å; W308-L366 HydrophobicContact CH2-CG 3.97Å; W308-L366 HydrophobicContact CZ2-CD1 4.04Å; W308-L366 HydrophobicContact CZ2-CD2 4.41Å; W308-L366 HydrophobicContact CZ2-CG 3.62Å; W308-L366 HydrophobicContact CZ3-CD1 4.03Å; W308-L366 HydrophobicContact CZ3-CG 4.36Å
309R93Very high89.6Confident30 Ų3050.8 Ų50.811%0.11330%0.296CS..EExtended strand (participates in β ladder)trans-91.7129.3172.4175.3-172.8163.7-172.5-3.2108.9T107 F108 W109 D295 V360 H361 N362T107-R309 HydrophobicContact CG2-CG 4.37Å; F108-R309 CarbonylContact O-C 3.6Å; F108-R309 WeakPolarHBondContact O-CA 3.35Å; W109-R309 HydrophobicContact CD2-CB 4.19Å; W109-R309 HydrophobicContact CE3-CB 4.5Å; W109-R309 HydrophobicContact CH2-CB 4.25Å; W109-R309 HydrophobicContact CZ2-CB 3.92Å; W109-R309 HydrophobicContact CZ2-CG 3.89Å; D295-R309 IonicContact OD1-CZ 3.68Å; D295-R309 IonicContact OD1-NE 3.59Å; D295-R309 IonicContact OD1-NH1 3.69Å; D295-R309 PolarHBondContact OD1-NH1 2.97Å; D295-R309 IonicContact OD2-CZ 3.39Å; D295-R309 IonicContact OD2-NH1 3.55Å; D295-R309 PolarHBondContact OD2-NH1 3.05Å; D295-R309 IonicContact OD2-NH2 3.79Å; R309-V360 HydrophobicContact CB-CG1 3.9Å; R309-H361 PolarHBondContact N-O 3.45Å; R309-N362 WeakPolarHBondContact CB-OD1 3.46Å
310I93.3Very high90Very high9 Ų949.4 Ų49.45%0.04629%0.29CS..EExtended strand (participates in β ladder)trans-120.9125.3175.5-57.3157.6000106.5T107 F108 I110 A214 F216 W308T107-I310 CarbonylContact C-O 3.57Å; T107-I310 WeakPolarHBondContact CA-O 3.24Å; F108-I310 HydrophobicContact CB-CB 4.27Å; F108-I310 HydrophobicContact CD2-CB 4.15Å; F108-I310 HydrophobicContact CD2-CG2 4.03Å; F108-I310 PolarHBondContact N-O 3.5Å; F108-I310 PolarHBondContact O-N 3.32Å; I110-I310 HydrophobicContact CD1-CD1 3.7Å; I110-I310 HydrophobicContact CG1-CD1 4.16Å; A214-I310 HydrophobicContact CB-CD1 3.72Å; A214-I310 HydrophobicContact CB-CG1 3.97Å; A214-I310 HydrophobicContact CB-CG2 4.36Å; F216-I310 HydrophobicContact CD2-CD1 4.48Å; F216-I310 HydrophobicContact CE2-CD1 4Å; F216-I310 HydrophobicContact CZ-CD1 4.45Å; W308-I310 HydrophobicContact CG-CG1 4.41Å
311A91.5Very high90.4Very high43 Ų4346 Ų4636%0.35527%0.271SS..EExtended strand (participates in β ladder)trans-74.9141.517400000109.8R217 E313R217-A311 VanDerWaalsContact O-O 3.06Å; A311-E313 PolarHBondContact O-N 2.69Å
312D93.5Very high90.7Very high12 Ų1245.7 Ų45.76%0.06427%0.27CS..  trans-79.3114.1174.3-171.6-10.8000110.2Q106 F108 D218 I219 A314 V315Q106-D312 HydrophobicContact CB-CB 3.96Å; Q106-D312 HydrophobicContact CG-CB 4.14Å; Q106-D312 PolarHBondContact NE2-OD2 2.83Å; Q106-D312 VanDerWaalsContact O-CB 3.26Å; Q106-D312 WeakPolarHBondContact O-CB 3.19Å; Q106-D312 PolarHBondContact O-N 2.94Å; F108-D312 HydrophobicContact CE1-CB 4.29Å; F108-D312 HydrophobicContact CE2-CB 3.81Å; F108-D312 HydrophobicContact CZ-CB 3.56Å; F108-D312 WeakPolarHBondContact CZ-OD2 3.28Å; D218-D312 WeakPolarHBondContact CA-OD1 3.34Å; I219-D312 WeakPolarHBondContact CB-OD2 3.47Å; I219-D312 PolarHBondContact N-OD1 3.17Å; I219-D312 VanDerWaalsContact N-OD1 3.16Å; D312-A314 VanDerWaalsContact C-N 3.33Å; D312-A314 PolarHBondContact OD1-N 2.99Å; D312-V315 PolarHBondContact OD1-N 3.14Å; D312-V315 WeakPolarHBondContact OD2-CB 3.32Å; D312-V315 VanDerWaalsContact OD2-CG2 3.23Å; D312-V315 WeakPolarHBondContact OD2-CG2 3.46Å
313E90.8Very high91.1Very high136 Ų13641 Ų4164%0.63624%0.238SC*.SBendtrans-77.6-15.5-179.3-65.1-179-177.300113.5R217 D218 A311R217-E313 PolarHBondContact O-N 3.31Å; D218-E313 HydrophobicContact CB-CB 4.45Å; A311-E313 PolarHBondContact O-N 2.69Å
314A88.5Confident91.3Very high48 Ų4838.2 Ų38.240%0.39722%0.223SC..SBendtrans-97.3-33.5-175.200000114.1D218 I219 D312D218-A314 HydrophobicContact CB-CB 3.65Å; I219-A314 HydrophobicContact CG2-CB 4.33Å; D312-A314 VanDerWaalsContact C-N 3.33Å; D312-A314 PolarHBondContact OD1-N 2.99Å
315V85.4Confident91.4Very high26 Ų2638.7 Ų38.716%0.15822%0.224CC..SBendtrans-91.6117.2-177.9179.60000109.6Q106 I219 S246 D312Q106-V315 HydrophobicContact CB-CB 4.38Å; Q106-V315 HydrophobicContact CB-CG1 4.37Å; I219-V315 HydrophobicContact CB-CG2 4.38Å; I219-V315 HydrophobicContact CG2-CG2 3.71Å; S246-V315 WeakPolarHBondContact O-CG2 3.47Å; D312-V315 PolarHBondContact OD1-N 3.14Å; D312-V315 WeakPolarHBondContact OD2-CB 3.32Å; D312-V315 VanDerWaalsContact OD2-CG2 3.23Å; D312-V315 WeakPolarHBondContact OD2-CG2 3.46Å
316S75.2Confident91.5Very high96 Ų9641.1 Ų41.167%0.67123%0.228SC*.PPolyproline II helixtrans-59.6148.3177.757.50000111.9S318S316-S318 PolarHBondContact O-N 2.9Å
317S85.7Confident91.5Very high45 Ų4539.3 Ų39.332%0.31524%0.238SC..PPolyproline II helixtrans-52.4132.717162.70000111.1Q103 D104Q103-S317 PolarHBondContact OE1-OG 3.35Å; D104-S317 CarbonylContact O-C 3.58Å; D104-S317 WeakPolarHBondContact O-CA 3.35Å
318S88.9Confident91.5Very high57 Ų5739.9 Ų39.940%0.39924%0.241SC..EExtended strand (participates in β ladder)trans-91.7127.4176-67.80000109.6D104 S316 L320D104-S318 PolarHBondContact N-O 2.9Å; D104-S318 PolarHBondContact O-N 3.03Å; S316-S318 PolarHBondContact O-N 2.9Å; S318-L320 PolarHBondContact O-N 3.22Å
319P93.3Very high91.5Very high35 Ų3544.1 Ų44.123%0.22727%0.269CS..EExtended strand (participates in β ladder)trans-68.8130.117726.5-32.5000110.4L87 P100L87-P319 HydrophobicContact CB-CG 4.13Å; L87-P319 HydrophobicContact CD1-CB 4.28Å; L87-P319 HydrophobicContact CD1-CG 3.94Å; L87-P319 HydrophobicContact CG-CG 4.22Å; L87-P319 PolarHBondContact N-O 3.05Å; P100-P319 HydrophobicContact CB-CB 3.81Å; P100-P319 HydrophobicContact CG-CB 3.73Å
320L94.6Very high91.6Very high21 Ų2144.3 Ų44.311%0.1127%0.272CS..EExtended strand (participates in β ladder)trans-97.9125171.4-60-176.1000109.5V84 C85 V101 W102 D104 S318V84-L320 HydrophobicContact CB-CB 3.97Å; V84-L320 HydrophobicContact CG2-CB 3.7Å; V84-L320 HydrophobicContact CG2-CD1 3.86Å; V84-L320 HydrophobicContact CG2-CG 4.34Å; C85-L320 WeakPolarHBondContact O-CA 3.43Å; V101-L320 PolarHBondContact N-O 3.4Å; W102-L320 PolarHBondContact N-O 3.47Å; W102-L320 PolarHBondContact O-N 3Å; D104-L320 HydrophobicContact CB-CD1 3.68Å; D104-L320 HydrophobicContact CB-CD2 4.28Å; D104-L320 HydrophobicContact CB-CG 3.8Å; S318-L320 PolarHBondContact O-N 3.22Å
321S96.6Very high91.7Very high0 Ų047.5 Ų47.50%029%0.287CS..EExtended strand (participates in β ladder)trans-137.7154.9-175-52.20000111.2C85 L87 S98 P100C85-S321 PolarHBondContact N-O 2.97Å; C85-S321 PolarHBondContact O-N 2.94Å; L87-S321 WeakPolarHBondContact CD1-OG 3.46Å; S98-S321 WeakPolarHBondContact O-CB 3.29Å; S98-S321 PolarHBondContact O-OG 3.35Å; P100-S321 WeakPolarHBondContact CA-OG 3.48Å
322Y97.5Very high91.9Very high0 Ų053.5 Ų53.50%031%0.308CS..  trans-72.3144.7165.5-58.7-71.1000109.4E31 V34 L35 I80 T81 G82 V84 F97 S98 V101 F334 L338E31-Y322 PolarHBondContact O-OH 3.23Å; V34-Y322 WeakPolarHBondContact CB-OH 3.3Å; V34-Y322 HydrophobicContact CG1-CE2 4.06Å; L35-Y322 HydrophobicContact CD1-CD1 4.07Å; L35-Y322 HydrophobicContact CD1-CE1 3.54Å; L35-Y322 HydrophobicContact CD2-CD1 4.09Å; L35-Y322 HydrophobicContact CD2-CD2 4.03Å; L35-Y322 HydrophobicContact CD2-CE1 3.84Å; L35-Y322 HydrophobicContact CD2-CE2 3.78Å; L35-Y322 HydrophobicContact CD2-CG 4.17Å; L35-Y322 HydrophobicContact CG-CD1 4.3Å; L35-Y322 HydrophobicContact CG-CE1 3.63Å; L35-Y322 HydrophobicContact CG-CE2 4.13Å; I80-Y322 HydrophobicContact CD1-CG 4.3Å; T81-Y322 WeakPolarHBondContact O-CD1 3.41Å; G82-Y322 WeakPolarHBondContact O-CE1 3.09Å; V84-Y322 HydrophobicContact CG1-CD1 3.91Å; V84-Y322 HydrophobicContact CG1-CD2 4.49Å; V84-Y322 HydrophobicContact CG1-CE1 3.52Å; V84-Y322 HydrophobicContact CG1-CE2 4.15Å; V84-Y322 HydrophobicContact CG1-CG 4.38Å; F97-Y322 CarbonylContact C-O 3.52Å; F97-Y322 WeakPolarHBondContact CA-O 3.39Å; S98-Y322 PolarHBondContact N-O 2.9Å; S98-Y322 PolarHBondContact OG-N 3.2Å; V101-Y322 HydrophobicContact CG2-CD2 3.67Å; V101-Y322 HydrophobicContact CG2-CE2 3.4Å; Y322-F334 HydrophobicContact CD2-CE1 4.19Å; Y322-L338 HydrophobicContact CD2-CD1 4.38Å; Y322-L338 HydrophobicContact CE2-CD2 4.29Å
323L97.5Very high92Very high2 Ų259.2 Ų59.21%0.0133%0.332CS..EExtended strand (participates in β ladder)trans-107145.5176.6-54.1178.2000109.5L73 I80 T81 C85 L87 G96 F97L73-L323 HydrophobicContact CD1-CB 3.88Å; I80-L323 CarbonylContact C-O 3.49Å; I80-L323 VanDerWaalsContact CA-O 3.31Å; I80-L323 WeakPolarHBondContact CA-O 3.42Å; I80-L323 WeakPolarHBondContact CG1-O 3.27Å; T81-L323 HydrophobicContact CG2-CB 3.9Å; T81-L323 PolarHBondContact N-O 2.98Å; T81-L323 PolarHBondContact OG1-N 2.76Å; C85-L323 HydrophobicContact CB-CD1 3.59Å; C85-L323 HydrophobicContact CB-CD2 4.49Å; C85-L323 HydrophobicContact CB-CG 3.85Å; L87-L323 HydrophobicContact CD2-CD2 3.89Å; G96-L323 WeakPolarHBondContact O-CA 3.38Å; F97-L323 HydrophobicContact CB-CD2 3.86Å
324W96.8Very high92.3Very high0 Ų052.8 Ų52.80%030%0.302CS..EExtended strand (participates in β ladder)trans-139.2166.9173.748.471000111.1D79 I80 G96 F97 S98 F328 E331 F334 N335D79-W324 WeakPolarHBondContact O-CA 3.38Å; D79-W324 WeakPolarHBondContact O-CB 2.98Å; I80-W324 HydrophobicContact CD1-CE3 3.67Å; I80-W324 HydrophobicContact CD1-CZ3 3.99Å; I80-W324 HydrophobicContact CG1-CE3 3.98Å; G96-W324 PolarHBondContact N-O 3.38Å; G96-W324 PolarHBondContact O-N 3.29Å; F97-W324 WeakPolarHBondContact O-CZ2 3.38Å; S98-W324 VanDerWaalsContact CB-CH2 3.44Å; W324-F328 HydrophobicContact CB-CB 4.01Å; W324-F328 HydrophobicContact CB-CD1 4.13Å; W324-F328 HydrophobicContact CB-CG 4.02Å; W324-F328 VanDerWaalsContact CD1-CB 3.48Å; W324-F328 HydrophobicContact CD2-CB 4.47Å; W324-F328 AromaticContact CD2-CD1 3.74Å; W324-F328 HydrophobicContact CD2-CD1 3.74Å; W324-F328 HydrophobicContact CD2-CE1 4.38Å; W324-F328 HydrophobicContact CD2-CG 4.39Å; W324-F328 HydrophobicContact CE3-CD1 4.05Å; W324-F328 HydrophobicContact CE3-CE1 4.24Å; W324-F328 HydrophobicContact CG-CB 3.75Å; W324-F328 AromaticContact CG-CD1 3.78Å; W324-F328 HydrophobicContact CG-CD1 3.78Å; W324-F328 AromaticContact CG-CG 3.95Å; W324-F328 HydrophobicContact CG-CG 3.95Å; W324-E331 HydrophobicContact CZ2-CB 4.09Å; W324-E331 HydrophobicContact CZ2-CG 3.68Å; W324-E331 PolarHBondContact NE1-OE2 3.44Å; W324-F334 HydrophobicContact CH2-CD1 4.24Å; W324-F334 HydrophobicContact CZ3-CB 4.49Å; W324-F334 AromaticContact CZ3-CD1 3.71Å; W324-F334 HydrophobicContact CZ3-CD1 3.71Å; W324-F334 HydrophobicContact CZ3-CE1 4.25Å; W324-F334 HydrophobicContact CZ3-CG 4.22Å; W324-N335 WeakPolarHBondContact CH2-OD1 3.34Å
325R92.4Very high92.7Very high57 Ų5751.9 Ų51.922%0.21529%0.29CS..  trans-64.2148.3174.365.8-179.4-176.8169.9-2.2110.4N76 D79 G327 F328N76-R325 WeakPolarHBondContact OD1-CD 3.35Å; N76-R325 PolarHBondContact OD1-NH1 3.21Å; D79-R325 IonicContact OD1-CZ 2.9Å; R325-G327 PolarHBondContact O-N 3.09Å; R325-F328 WeakPolarHBondContact O-CB 3.21Å; R325-F328 PolarHBondContact O-N 3.32Å
326K90.2Very high93.2Very high137 Ų13755.1 Ų55.160%0.59630%0.304SS*.THydrogen-bonded Turntrans-56.9138.2171.7-69.7-168.6177.7-177.10110.8E93 D94E93-K326 WeakPolarHBondContact O-CE 3.3Å; E93-K326 PolarHBondContact O-NZ 2.89Å; D94-K326 WeakPolarHBondContact O-CE 3.29Å
327G90.4Very high94.3Very high65 Ų6550.7 Ų50.767%0.6727%0.273SS*.THydrogen-bonded Turntrans73.930.3-176.700000113.7R325 P329R325-G327 PolarHBondContact O-N 3.09Å; G327-P329 VanDerWaalsContact O-CD 3.31Å; G327-P329 WeakPolarHBondContact O-CD 3.42Å
328F93.8Very high94.8Very high12 Ų1248.5 Ų48.55%0.05326%0.258CS..  trans-62.5117.2175176.8-127.1000110.5L6 D79 W324 R325 L330 E331 F334L6-F328 HydrophobicContact CD1-CE2 3.8Å; L6-F328 HydrophobicContact CD1-CZ 3.63Å; D79-F328 HydrophobicContact CB-CE2 4.1Å; W324-F328 HydrophobicContact CB-CB 4.01Å; W324-F328 HydrophobicContact CB-CD1 4.13Å; W324-F328 HydrophobicContact CB-CG 4.02Å; W324-F328 VanDerWaalsContact CD1-CB 3.48Å; W324-F328 HydrophobicContact CD2-CB 4.47Å; W324-F328 AromaticContact CD2-CD1 3.74Å; W324-F328 HydrophobicContact CD2-CD1 3.74Å; W324-F328 HydrophobicContact CD2-CE1 4.38Å; W324-F328 HydrophobicContact CD2-CG 4.39Å; W324-F328 HydrophobicContact CE3-CD1 4.05Å; W324-F328 HydrophobicContact CE3-CE1 4.24Å; W324-F328 HydrophobicContact CG-CB 3.75Å; W324-F328 AromaticContact CG-CD1 3.78Å; W324-F328 HydrophobicContact CG-CD1 3.78Å; W324-F328 AromaticContact CG-CG 3.95Å; W324-F328 HydrophobicContact CG-CG 3.95Å; R325-F328 WeakPolarHBondContact O-CB 3.21Å; R325-F328 PolarHBondContact O-N 3.32Å; F328-L330 HydrophobicContact CD1-CB 4.48Å; F328-L330 HydrophobicContact CE1-CB 3.77Å; F328-L330 HydrophobicContact CE2-CB 4.29Å; F328-L330 HydrophobicContact CZ-CB 3.67Å; F328-L330 HydrophobicContact CZ-CD1 4.34Å; F328-L330 HydrophobicContact CZ-CG 4.41Å; F328-L330 PolarHBondContact O-N 3.04Å; F328-L330 VanDerWaalsContact O-N 3.11Å; F328-E331 HydrophobicContact CB-CB 4.45Å; F328-E331 HydrophobicContact CD1-CB 4.1Å; F328-E331 VanDerWaalsContact O-CB 3.27Å; F328-E331 WeakPolarHBondContact O-CB 3.28Å; F328-E331 PolarHBondContact O-N 3.3Å; F328-E331 VanDerWaalsContact O-N 3.13Å; F328-F334 HydrophobicContact CE1-CB 4.38Å; F328-F334 HydrophobicContact CE1-CD2 4.44Å
329P93.5Very high95.1Very high95 Ų9549.7 Ų49.762%0.61726%0.259SS*.THydrogen-bonded Turntrans-64.4-22.7-169.5-25.334.8000115.4G327G327-P329 VanDerWaalsContact O-CD 3.31Å; G327-P329 WeakPolarHBondContact O-CD 3.42Å
330L94.2Very high95.3Very high34 Ų3453.8 Ų53.818%0.17828%0.275CS..THydrogen-bonded Turntrans-99.66.9-178.3-61.7174.2000112.9L44 F328 E332 K333 F334L44-L330 HydrophobicContact CD1-CD1 3.96Å; L44-L330 HydrophobicContact CD2-CD1 3.84Å; F328-L330 HydrophobicContact CD1-CB 4.48Å; F328-L330 HydrophobicContact CE1-CB 3.77Å; F328-L330 HydrophobicContact CE2-CB 4.29Å; F328-L330 HydrophobicContact CZ-CB 3.67Å; F328-L330 HydrophobicContact CZ-CD1 4.34Å; F328-L330 HydrophobicContact CZ-CG 4.41Å; F328-L330 PolarHBondContact O-N 3.04Å; F328-L330 VanDerWaalsContact O-N 3.11Å; L330-E332 PolarHBondContact O-N 2.87Å; L330-K333 HydrophobicContact CD2-CD 4.19Å; L330-K333 PolarHBondContact O-N 2.8Å; L330-F334 VanDerWaalsContact O-CB 3.23Å; L330-F334 WeakPolarHBondContact O-CB 3.24Å; L330-F334 PolarHBondContact O-N 2.7Å
331E95.2Very high95.3Very high77 Ų7754.2 Ų54.236%0.3628%0.277SS..Hα-helixtrans-47.8-51.7-176165.5164.9176.700113.4W324 F328 F334 N335W324-E331 HydrophobicContact CZ2-CB 4.09Å; W324-E331 HydrophobicContact CZ2-CG 3.68Å; W324-E331 PolarHBondContact NE1-OE2 3.44Å; F328-E331 HydrophobicContact CB-CB 4.45Å; F328-E331 HydrophobicContact CD1-CB 4.1Å; F328-E331 VanDerWaalsContact O-CB 3.27Å; F328-E331 WeakPolarHBondContact O-CB 3.28Å; F328-E331 PolarHBondContact O-N 3.3Å; F328-E331 VanDerWaalsContact O-N 3.13Å; E331-F334 PolarHBondContact O-N 3.09Å; E331-N335 WeakPolarHBondContact O-CB 3.47Å; E331-N335 PolarHBondContact O-N 3.05Å; E331-N335 PolarHBondContact O-ND2 3.2Å
332E96Very high95.1Very high169 Ų16955.6 Ų55.679%0.7929%0.291SS*.Hα-helixtrans-64.3-47.2-178.7-173.1179.4-175.100112L330 F334 N335 Q336L330-E332 PolarHBondContact O-N 2.87Å; E332-F334 VanDerWaalsContact C-N 3.31Å; E332-F334 PolarHBondContact O-N 3.43Å; E332-N335 PolarHBondContact O-N 3.46Å; E332-Q336 WeakPolarHBondContact O-CB 3.35Å; E332-Q336 PolarHBondContact O-N 3.29Å
333K96.2Very high94.8Very high131 Ų13162.3 Ų62.357%0.5733%0.327SS*.Hα-helixtrans-64.1-38.2178.9-67.4-176.3178.7-178.80112L42 L330 Q336 A337L42-K333 HydrophobicContact CD1-CB 4.34Å; L42-K333 HydrophobicContact CD2-CB 4.09Å; L330-K333 HydrophobicContact CD2-CD 4.19Å; L330-K333 PolarHBondContact O-N 2.8Å; K333-Q336 PolarHBondContact O-N 3.42Å; K333-A337 WeakPolarHBondContact O-CB 3.33Å; K333-A337 PolarHBondContact O-N 2.89Å
334F95.8Very high94.5Very high1 Ų163.9 Ų63.90%0.00434%0.344CS..Hα-helixtrans-68.5-45.8-179.9-157.4-80.2000111.2L6 L35 V38 L42 I80 Y322 W324 F328 L330 E331 E332 Q336 A337 L338L6-F334 HydrophobicContact CD2-CE2 4.21Å; L35-F334 HydrophobicContact CD2-CE1 4.22Å; L35-F334 HydrophobicContact CD2-CE2 4.37Å; L35-F334 HydrophobicContact CD2-CZ 3.44Å; L35-F334 VanDerWaalsContact CD2-CZ 3.44Å; V38-F334 HydrophobicContact CB-CE2 4.34Å; V38-F334 HydrophobicContact CB-CZ 4.21Å; V38-F334 HydrophobicContact CG1-CD1 4.32Å; V38-F334 HydrophobicContact CG1-CD2 3.66Å; V38-F334 HydrophobicContact CG1-CE1 4.11Å; V38-F334 HydrophobicContact CG1-CE2 3.41Å; V38-F334 VanDerWaalsContact CG1-CE2 3.41Å; V38-F334 HydrophobicContact CG1-CG 4.1Å; V38-F334 HydrophobicContact CG1-CZ 3.64Å; L42-F334 HydrophobicContact CD1-CD2 4.3Å; I80-F334 HydrophobicContact CD1-CD1 4.27Å; I80-F334 HydrophobicContact CD1-CD2 4.41Å; I80-F334 HydrophobicContact CD1-CE1 3.66Å; I80-F334 HydrophobicContact CD1-CE2 3.82Å; I80-F334 HydrophobicContact CD1-CZ 3.41Å; I80-F334 VanDerWaalsContact CD1-CZ 3.41Å; Y322-F334 HydrophobicContact CD2-CE1 4.19Å; W324-F334 HydrophobicContact CH2-CD1 4.24Å; W324-F334 HydrophobicContact CZ3-CB 4.49Å; W324-F334 AromaticContact CZ3-CD1 3.71Å; W324-F334 HydrophobicContact CZ3-CD1 3.71Å; W324-F334 HydrophobicContact CZ3-CE1 4.25Å; W324-F334 HydrophobicContact CZ3-CG 4.22Å; F328-F334 HydrophobicContact CE1-CB 4.38Å; F328-F334 HydrophobicContact CE1-CD2 4.44Å; L330-F334 VanDerWaalsContact O-CB 3.23Å; L330-F334 WeakPolarHBondContact O-CB 3.24Å; L330-F334 PolarHBondContact O-N 2.7Å; E331-F334 PolarHBondContact O-N 3.09Å; E332-F334 VanDerWaalsContact C-N 3.31Å; E332-F334 PolarHBondContact O-N 3.43Å; F334-Q336 VanDerWaalsContact C-N 3.34Å; F334-A337 PolarHBondContact O-N 3.41Å; F334-L338 HydrophobicContact CD1-CD1 3.76Å; F334-L338 HydrophobicContact CD1-CG 4.12Å; F334-L338 HydrophobicContact CE1-CD1 3.75Å; F334-L338 HydrophobicContact CE1-CD2 4.47Å; F334-L338 HydrophobicContact CE1-CG 4.06Å; F334-L338 WeakPolarHBondContact O-CG 3.3Å; F334-L338 PolarHBondContact O-N 2.84Å
335N97.1Very high94.3Very high29 Ų2964.7 Ų64.716%0.15535%0.347CS..Hα-helixtrans-62.3-42.2174.1-79.4-26.3000111.9S98 W99 W324 E331 E332 A337 L338 I339S98-N335 VanDerWaalsContact CA-OD1 3.26Å; S98-N335 WeakPolarHBondContact CA-OD1 3.48Å; W99-N335 PolarHBondContact N-OD1 2.86Å; W324-N335 WeakPolarHBondContact CH2-OD1 3.34Å; E331-N335 WeakPolarHBondContact O-CB 3.47Å; E331-N335 PolarHBondContact O-N 3.05Å; E331-N335 PolarHBondContact O-ND2 3.2Å; E332-N335 PolarHBondContact O-N 3.46Å; N335-A337 PolarHBondContact O-N 3.22Å; N335-L338 PolarHBondContact O-N 3.21Å; N335-I339 WeakPolarHBondContact O-CB 3.42Å; N335-I339 WeakPolarHBondContact O-CD1 3.36Å; N335-I339 VanDerWaalsContact O-CG1 3.24Å; N335-I339 WeakPolarHBondContact O-CG1 3.5Å; N335-I339 PolarHBondContact O-N 2.78Å
336Q97.2Very high94.1Very high95 Ų9565.7 Ų65.744%0.44435%0.354SS..Hα-helixtrans-59.3-45.4175.2-176.560.428.300111.5E332 K333 F334 L338 I339 E340E332-Q336 WeakPolarHBondContact O-CB 3.35Å; E332-Q336 PolarHBondContact O-N 3.29Å; K333-Q336 PolarHBondContact O-N 3.42Å; F334-Q336 VanDerWaalsContact C-N 3.34Å; Q336-L338 PolarHBondContact O-N 3.43Å; Q336-I339 PolarHBondContact O-N 3.24Å; Q336-E340 WeakPolarHBondContact CG-OE1 3.31Å; Q336-E340 PolarHBondContact NE2-OE1 3.24Å; Q336-E340 WeakPolarHBondContact O-CB 3.49Å; Q336-E340 WeakPolarHBondContact O-CG 3.35Å; Q336-E340 PolarHBondContact O-N 2.87Å
337A96.8Very high94.1Very high2 Ų262.7 Ų62.72%0.01734%0.342CS..Hα-helixtrans-62.2-41.9176.300000112.5V38 M41 L42 K333 F334 N335 I339 E340 L341V38-A337 HydrophobicContact CB-CB 4.5Å; V38-A337 HydrophobicContact CG1-CB 3.88Å; V38-A337 HydrophobicContact CG2-CB 4.24Å; M41-A337 HydrophobicContact CE-CB 4.09Å; M41-A337 HydrophobicContact SD-CB 4.42Å; L42-A337 HydrophobicContact CD1-CB 4.43Å; L42-A337 HydrophobicContact CD2-CB 4.44Å; L42-A337 HydrophobicContact CG-CB 4.35Å; K333-A337 WeakPolarHBondContact O-CB 3.33Å; K333-A337 PolarHBondContact O-N 2.89Å; F334-A337 PolarHBondContact O-N 3.41Å; N335-A337 PolarHBondContact O-N 3.22Å; A337-I339 VanDerWaalsContact C-N 3.31Å; A337-I339 PolarHBondContact O-N 3.27Å; A337-E340 PolarHBondContact O-N 3.35Å; A337-L341 WeakPolarHBondContact O-CG 3.45Å; A337-L341 PolarHBondContact O-N 3.46Å
338L96.6Very high94.2Very high0 Ų060 Ų600%031%0.313CS..Hα-helixtrans-65.5-32.6175.6-74.2174.4000113.4V34 V38 Y322 F334 N335 Q336V34-L338 HydrophobicContact CG1-CD2 3.69Å; V38-L338 HydrophobicContact CG2-CD2 3.77Å; V38-L338 HydrophobicContact CG2-CG 4.17Å; Y322-L338 HydrophobicContact CD2-CD1 4.38Å; Y322-L338 HydrophobicContact CE2-CD2 4.29Å; F334-L338 HydrophobicContact CD1-CD1 3.76Å; F334-L338 HydrophobicContact CD1-CG 4.12Å; F334-L338 HydrophobicContact CE1-CD1 3.75Å; F334-L338 HydrophobicContact CE1-CD2 4.47Å; F334-L338 HydrophobicContact CE1-CG 4.06Å; F334-L338 WeakPolarHBondContact O-CG 3.3Å; F334-L338 PolarHBondContact O-N 2.84Å; N335-L338 PolarHBondContact O-N 3.21Å; Q336-L338 PolarHBondContact O-N 3.43Å
339I96.2Very high94Very high81 Ų8160.3 Ų60.342%0.41532%0.315SS..Hα-helixtrans-71.6-42.8174.3-69.6164.8000109.9W99 N335 Q336 A337 L341 G342W99-I339 HydrophobicContact CB-CG1 4.41Å; W99-I339 HydrophobicContact CD2-CD1 4.49Å; W99-I339 HydrophobicContact CD2-CG1 4.44Å; W99-I339 HydrophobicContact CG-CD1 4.44Å; W99-I339 HydrophobicContact CG-CG1 4.02Å; N335-I339 WeakPolarHBondContact O-CB 3.42Å; N335-I339 WeakPolarHBondContact O-CD1 3.36Å; N335-I339 VanDerWaalsContact O-CG1 3.24Å; N335-I339 WeakPolarHBondContact O-CG1 3.5Å; N335-I339 PolarHBondContact O-N 2.78Å; Q336-I339 PolarHBondContact O-N 3.24Å; A337-I339 VanDerWaalsContact C-N 3.31Å; A337-I339 PolarHBondContact O-N 3.27Å; I339-L341 VanDerWaalsContact C-N 3.34Å; I339-L341 PolarHBondContact O-N 2.9Å; I339-G342 WeakPolarHBondContact O-CA 3.31Å; I339-G342 PolarHBondContact O-N 2.97Å
340E96.2Very high93.7Very high121 Ų12163.7 Ų63.757%0.56532%0.315SS*.Hα-helixtrans-64.5-35177.6-77.6174.7-167.200113.1M41 Q336 A337 G342M41-E340 HydrophobicContact CE-CB 3.87Å; M41-E340 WeakPolarHBondContact CE-OE2 3.42Å; Q336-E340 WeakPolarHBondContact CG-OE1 3.31Å; Q336-E340 PolarHBondContact NE2-OE1 3.24Å; Q336-E340 WeakPolarHBondContact O-CB 3.49Å; Q336-E340 WeakPolarHBondContact O-CG 3.35Å; Q336-E340 PolarHBondContact O-N 2.87Å; A337-E340 PolarHBondContact O-N 3.35Å; E340-G342 PolarHBondContact O-N 3.27Å
341L95.1Very high93.3Very high31 Ų3170.1 Ų70.116%0.16234%0.337CS..THydrogen-bonded Turntrans-59.8-25.9170.2-75.9175.4000112.3V34 L37 V38 M41 A337 I339 N343 G344V34-L341 HydrophobicContact CG1-CD1 4.31Å; L37-L341 HydrophobicContact CB-CD1 4.2Å; L37-L341 HydrophobicContact CB-CD2 4.07Å; L37-L341 HydrophobicContact CD1-CD2 4.02Å; V38-L341 HydrophobicContact CG2-CD1 3.7Å; M41-L341 HydrophobicContact SD-CD2 3.87Å; M41-L341 HydrophobicContact SD-CG 3.96Å; A337-L341 WeakPolarHBondContact O-CG 3.45Å; A337-L341 PolarHBondContact O-N 3.46Å; I339-L341 VanDerWaalsContact C-N 3.34Å; I339-L341 PolarHBondContact O-N 2.9Å; L341-N343 PolarHBondContact O-N 3.28Å; L341-G344 WeakPolarHBondContact O-CA 3.49Å; L341-G344 PolarHBondContact O-N 3.46Å
342G92.5Very high92.7Very high28 Ų2870 Ų7029%0.28934%0.335SS..THydrogen-bonded Turntrans52.6-124.4172.600000112.8I339 E340 G344 K345I339-G342 WeakPolarHBondContact O-CA 3.31Å; I339-G342 PolarHBondContact O-N 2.97Å; E340-G342 PolarHBondContact O-N 3.27Å; G342-G344 PolarHBondContact O-N 3.46Å; G342-K345 WeakPolarHBondContact O-CE 3.45Å; G342-K345 WeakPolarHBondContact O-CG 3.28Å
343N91Very high92Very high141 Ų14162.4 Ų62.475%0.75430%0.3SS*.THydrogen-bonded Turntrans-76.3-7.3177.4-65.8-16.1000113.5L341 K345 E346 E347L341-N343 PolarHBondContact O-N 3.28Å; N343-K345 VanDerWaalsContact C-N 3.26Å; N343-K345 PolarHBondContact O-N 3.46Å; N343-E346 WeakPolarHBondContact O-CB 3.25Å; N343-E346 PolarHBondContact O-N 3.28Å; N343-E347 PolarHBondContact O-N 2.93Å
344G91.3Very high91.1Very high35 Ų3557.3 Ų57.336%0.36128%0.282SS..Hα-helixtrans-59.7-37.4178.200000112.4L341 G342 E347 I348L341-G344 WeakPolarHBondContact O-CA 3.49Å; L341-G344 PolarHBondContact O-N 3.46Å; G342-G344 PolarHBondContact O-N 3.46Å; G344-E347 PolarHBondContact O-N 3.25Å; G344-I348 WeakPolarHBondContact O-CG1 3.34Å; G344-I348 PolarHBondContact O-N 2.99Å
345K91.8Very high89.7Confident17 Ų1764.2 Ų64.27%0.07431%0.31CS..Hα-helixtrans-65.8-37.1175.370.1-162.6178.1178.40113.2V34 P100 V101 W102 G342 N343 I348 L349V34-K345 HydrophobicContact CG2-CB 4.03Å; P100-K345 PolarHBondContact O-NZ 3.01Å; V101-K345 HydrophobicContact CG1-CB 4.34Å; V101-K345 HydrophobicContact CG1-CD 4.33Å; V101-K345 VanDerWaalsContact O-CD 3.25Å; V101-K345 WeakPolarHBondContact O-CD 3.47Å; V101-K345 WeakPolarHBondContact O-CE 3.15Å; V101-K345 WeakPolarHBondContact O-CG 3.31Å; W102-K345 PolarHBondContact NE1-O 3.45Å; G342-K345 WeakPolarHBondContact O-CE 3.45Å; G342-K345 WeakPolarHBondContact O-CG 3.28Å; N343-K345 VanDerWaalsContact C-N 3.26Å; N343-K345 PolarHBondContact O-N 3.46Å; K345-I348 PolarHBondContact O-N 3.2Å; K345-L349 PolarHBondContact O-N 2.97Å
346E89.5Confident88.2Confident79 Ų7962.8 Ų62.837%0.36930%0.302SS..Hα-helixtrans-67.3-39.8174.7-65.7-64.4160.600110.8N343 I348 L349 R350N343-E346 WeakPolarHBondContact O-CB 3.25Å; N343-E346 PolarHBondContact O-N 3.28Å; E346-I348 VanDerWaalsContact C-N 3.35Å; E346-I348 PolarHBondContact O-N 3.49Å; E346-L349 PolarHBondContact O-N 3.36Å; E346-R350 VanDerWaalsContact O-CB 3.25Å; E346-R350 WeakPolarHBondContact O-CB 3.31Å; E346-R350 PolarHBondContact O-N 2.76Å
347E90.6Very high86.8Confident73 Ų7360 Ų6034%0.34129%0.292SS..Hα-helixtrans-66.8-34.5178.7-176.858.4-160.700112.4N343 G344 L349 R350 R351N343-E347 PolarHBondContact O-N 2.93Å; G344-E347 PolarHBondContact O-N 3.25Å; E347-L349 PolarHBondContact O-N 2.96Å; E347-R350 PolarHBondContact O-N 3.05Å; E347-R350 WeakPolarHBondContact OE2-CD 3.39Å; E347-R350 IonicContact OE2-NE 3.98Å; E347-R351 HydrophobicContact CG-CG 4.36Å; E347-R351 WeakPolarHBondContact O-CB 3.42Å; E347-R351 WeakPolarHBondContact O-CG 3.41Å; E347-R351 PolarHBondContact O-N 2.71Å; E347-R351 WeakPolarHBondContact OE1-CG 3.37Å; E347-R351 IonicContact OE1-NE 3.71Å; E347-R351 PolarHBondContact OE1-NE 3.46Å
348I91.6Very high85.5Confident10 Ų1067.5 Ų67.55%0.05133%0.326CS..Hα-helixtrans-57.4-49.7172.5-70.6166000110.4E33 V34 L37 G344 K345 E346E33-I348 HydrophobicContact CB-CG2 4.2Å; E33-I348 HydrophobicContact CG-CD1 4.12Å; E33-I348 HydrophobicContact CG-CG1 4.49Å; E33-I348 HydrophobicContact CG-CG2 4.27Å; V34-I348 HydrophobicContact CG2-CD1 3.8Å; L37-I348 HydrophobicContact CD1-CD1 3.73Å; G344-I348 WeakPolarHBondContact O-CG1 3.34Å; G344-I348 PolarHBondContact O-N 2.99Å; K345-I348 PolarHBondContact O-N 3.2Å; E346-I348 VanDerWaalsContact C-N 3.35Å; E346-I348 PolarHBondContact O-N 3.49Å
349L89Confident84.5Confident17 Ų1770 Ų709%0.08934%0.338CS..Hα-helixtrans-64.9-48.5178.3-17862.4000111.2Y30 W102 T292 K345 E346 E347 R351 K352 V353Y30-L349 HydrophobicContact CD1-CD1 4.3Å; Y30-L349 HydrophobicContact CD2-CD1 3.96Å; Y30-L349 HydrophobicContact CE2-CD1 4.19Å; Y30-L349 HydrophobicContact CG-CD1 4.04Å; W102-L349 HydrophobicContact CD2-CD2 4.14Å; W102-L349 HydrophobicContact CG-CD2 3.97Å; W102-L349 HydrophobicContact CZ2-CB 4.3Å; T292-L349 HydrophobicContact CG2-CD1 3.86Å; T292-L349 HydrophobicContact CG2-CD2 4.18Å; K345-L349 PolarHBondContact O-N 2.97Å; E346-L349 PolarHBondContact O-N 3.36Å; E347-L349 PolarHBondContact O-N 2.96Å; L349-R351 VanDerWaalsContact C-N 3.33Å; L349-R351 PolarHBondContact O-N 2.93Å; L349-K352 PolarHBondContact O-N 3.32Å; L349-K352 VanDerWaalsContact O-N 3.12Å; L349-V353 HydrophobicContact CD1-CB 4.47Å; L349-V353 HydrophobicContact CD1-CG2 3.61Å; L349-V353 HydrophobicContact CG-CG2 4.25Å; L349-V353 WeakPolarHBondContact O-CB 3.33Å; L349-V353 WeakPolarHBondContact O-CG2 3.27Å; L349-V353 PolarHBondContact O-N 2.92Å
350R87.9Confident83.9Confident166 Ų16666.5 Ų66.563%0.62632%0.32SS*.Hα-helixtrans-58.2-41.2-179-174.5-177.5147.3129.7-0.3112.2E346 E347 K352 V353 A354E346-R350 VanDerWaalsContact O-CB 3.25Å; E346-R350 WeakPolarHBondContact O-CB 3.31Å; E346-R350 PolarHBondContact O-N 2.76Å; E347-R350 PolarHBondContact O-N 3.05Å; E347-R350 WeakPolarHBondContact OE2-CD 3.39Å; E347-R350 IonicContact OE2-NE 3.98Å; R350-K352 PolarHBondContact O-N 2.94Å; R350-V353 PolarHBondContact O-N 3.34Å; R350-A354 HydrophobicContact CG-CB 3.74Å; R350-A354 WeakPolarHBondContact O-CA 3.45Å; R350-A354 WeakPolarHBondContact O-CB 3.42Å; R350-A354 PolarHBondContact O-N 2.94Å
351R86.4Confident83.3Confident170 Ų17064.2 Ų64.264%0.64231%0.309SS*.Hα-helixtrans-57.2-32.2178.1-79.7170.3-177.1-172.64.5113.5E347 L349E347-R351 HydrophobicContact CG-CG 4.36Å; E347-R351 WeakPolarHBondContact O-CB 3.42Å; E347-R351 WeakPolarHBondContact O-CG 3.41Å; E347-R351 PolarHBondContact O-N 2.71Å; E347-R351 WeakPolarHBondContact OE1-CG 3.37Å; E347-R351 IonicContact OE1-NE 3.71Å; E347-R351 PolarHBondContact OE1-NE 3.46Å; L349-R351 VanDerWaalsContact C-N 3.33Å; L349-R351 PolarHBondContact O-N 2.93Å
352K82.2Confident82.8Confident75 Ų7565.3 Ų65.333%0.32632%0.315SS..Hα-helixtrans-92-43.3-179.5-60-65.6-178.21700111.3Y27 L349 R350Y27-K352 HydrophobicContact CE1-CD 4.45Å; Y27-K352 HydrophobicContact CE2-CD 4.41Å; Y27-K352 VanDerWaalsContact CE2-CE 3.42Å; Y27-K352 HydrophobicContact CE2-CG 4.45Å; L349-K352 PolarHBondContact O-N 3.32Å; L349-K352 VanDerWaalsContact O-N 3.12Å; R350-K352 PolarHBondContact O-N 2.94Å
353V81.8Confident82.3Confident8 Ų869.2 Ų69.25%0.04833%0.329CS..Hα-helixtrans-94.4-28.8-167.5-175.80000113.1D295 V296 L349 R350 Y355 S356 T357D295-V353 HydrophobicContact CB-CG1 3.14Å; V296-V353 HydrophobicContact CG2-CG2 3.73Å; L349-V353 HydrophobicContact CD1-CB 4.47Å; L349-V353 HydrophobicContact CD1-CG2 3.61Å; L349-V353 HydrophobicContact CG-CG2 4.25Å; L349-V353 WeakPolarHBondContact O-CB 3.33Å; L349-V353 WeakPolarHBondContact O-CG2 3.27Å; L349-V353 PolarHBondContact O-N 2.92Å; R350-V353 PolarHBondContact O-N 3.34Å; V353-Y355 PolarHBondContact O-N 3.23Å; V353-S356 PolarHBondContact O-N 2.7Å; V353-S356 PolarHBondContact O-OG 2.92Å; V353-T357 PolarHBondContact O-N 3.46Å
354A75.4Confident81.8Confident24 Ų2466.4 Ų66.420%0.19832%0.319CS..Hα-helixtrans-59.1-30.3-174.700000113.3R350 S356 T357 H358R350-A354 HydrophobicContact CG-CB 3.74Å; R350-A354 WeakPolarHBondContact O-CA 3.45Å; R350-A354 WeakPolarHBondContact O-CB 3.42Å; R350-A354 PolarHBondContact O-N 2.94Å; A354-S356 VanDerWaalsContact C-N 3.29Å; A354-S356 PolarHBondContact O-N 3.5Å; A354-T357 PolarHBondContact O-N 2.98Å; A354-T357 PolarHBondContact O-OG1 2.43Å; A354-H358 PolarHBondContact O-CD2 2.92Å; A354-H358 PolarHBondContact O-N 3.47Å
355Y67.6Low81.4Confident146 Ų14668.1 Ų68.157%0.57332%0.318SS*.Hα-helixtrans-62.4-35.1177.1-170.9-106.1000112.9V353 Q359V353-Y355 PolarHBondContact O-N 3.23Å; Y355-Q359 VanDerWaalsContact CE1-NE2 3.35Å; Y355-Q359 WeakPolarHBondContact O-CG 3.16Å; Y355-Q359 PolarHBondContact OH-NE2 3.34Å
356S65.7Low81Confident0 Ų067.7 Ų67.70%032%0.317CS..Hα-helixtrans-73.6-36.5176.969.70000111.9D295 V353 A354 H358 Q359 V360D295-S356 WeakPolarHBondContact O-CB 3.43Å; D295-S356 PolarHBondContact O-OG 3.37Å; V353-S356 PolarHBondContact O-N 2.7Å; V353-S356 PolarHBondContact O-OG 2.92Å; A354-S356 VanDerWaalsContact C-N 3.29Å; A354-S356 PolarHBondContact O-N 3.5Å; S356-H358 PolarHBondContact O-N 2.91Å; S356-Q359 PolarHBondContact O-N 2.95Å; S356-V360 PolarHBondContact O-N 3.47Å; S356-V360 VanDerWaalsContact O-N 3.09Å
357T66.9Low80.3Confident36 Ų3668 Ų6822%0.22132%0.321CS..Hα-helixtrans-60.7-29178.567.90000113.2D295 V353 A354 Q359 N362D295-T357 WeakPolarHBondContact OD2-CG2 3.23Å; V353-T357 PolarHBondContact O-N 3.46Å; A354-T357 PolarHBondContact O-N 2.98Å; A354-T357 PolarHBondContact O-OG1 2.43Å; T357-Q359 VanDerWaalsContact C-N 3.33Å; T357-N362 PolarHBondContact O-ND2 2.92Å
358H70.7Confident79.1Confident160 Ų16065.3 Ų65.374%0.74131%0.312SS*.THydrogen-bonded Turntrans-80.7-11.6175.7-67.9-55.6000114.2A354 S356A354-H358 PolarHBondContact O-CD2 2.92Å; A354-H358 PolarHBondContact O-N 3.47Å; S356-H358 PolarHBondContact O-N 2.91Å
359Q75.6Confident77.7Confident52 Ų5266.3 Ų66.324%0.24332%0.32CS..THydrogen-bonded Turntrans-113.3-10.5-173-66.2-177.4-29.100113.7R304 Y355 S356 T357R304-Q359 HydrophobicContact CG-CB 4.37Å; Y355-Q359 VanDerWaalsContact CE1-NE2 3.35Å; Y355-Q359 WeakPolarHBondContact O-CG 3.16Å; Y355-Q359 PolarHBondContact OH-NE2 3.34Å; S356-Q359 PolarHBondContact O-N 2.95Å; T357-Q359 VanDerWaalsContact C-N 3.33Å
360V82.6Confident76.1Confident8 Ų872.5 Ų72.55%0.04836%0.359CS..SBendtrans-96.8147.3167.7-179.80000108.6W109 A298 R304 L307 R309 S356 N362W109-V360 HydrophobicContact CE3-CG1 4.47Å; W109-V360 HydrophobicContact CH2-CB 4.38Å; W109-V360 HydrophobicContact CH2-CG1 3.92Å; W109-V360 HydrophobicContact CH2-CG2 3.96Å; W109-V360 HydrophobicContact CZ3-CB 4.43Å; W109-V360 HydrophobicContact CZ3-CG1 3.69Å; W109-V360 HydrophobicContact CZ3-CG2 3.94Å; A298-V360 HydrophobicContact CB-CG2 3.8Å; R304-V360 HydrophobicContact CB-CG2 4.05Å; L307-V360 HydrophobicContact CB-CG1 4.32Å; R309-V360 HydrophobicContact CB-CG1 3.9Å; S356-V360 PolarHBondContact O-N 3.47Å; S356-V360 VanDerWaalsContact O-N 3.09Å; V360-N362 PolarHBondContact O-N 3.4Å; V360-N362 PolarHBondContact O-OD1 3.46Å
361H84.6Confident74.7Confident73 Ų7368.4 Ų68.434%0.33834%0.344SS..BIsolated β-bridgetrans-68.8111170.7-72.5-57000109.5T305 L307 W308 R309 L366T305-H361 PolarHBondContact O-CD2 2.74Å; T305-H361 VanDerWaalsContact O-CD2 3.31Å; T305-H361 PolarHBondContact O-NE2 2.96Å; L307-H361 WeakPolarHBondContact O-CB 3.49Å; L307-H361 PolarHBondContact O-N 2.85Å; W308-H361 HydrophobicContact CB-CB 4.37Å; W308-H361 HydrophobicContact CG-CB 4.29Å; R309-H361 PolarHBondContact N-O 3.45Å; H361-L366 HydrophobicContact CB-CD1 4Å; H361-L366 HydrophobicContact CB-CD2 3.58Å; H361-L366 HydrophobicContact CB-CG 4.44Å
362N84.2Confident73.3Confident53 Ų5363 Ų6328%0.28333%0.333SS..  trans-114.3-3.1-177.6-68.9-0.7000113.7R309 T357 V360R309-N362 WeakPolarHBondContact CB-OD1 3.46Å; T357-N362 PolarHBondContact O-ND2 2.92Å; V360-N362 PolarHBondContact O-N 3.4Å; V360-N362 PolarHBondContact O-OD1 3.46Å
363N82.3Confident72.4Confident110 Ų11067.5 Ų67.559%0.58836%0.355SS*.SBendtrans-78.9143.3179.7-68.7-32.9000110.1W308 M365W308-N363 PolarHBondContact NE1-O 3.37Å; N363-M365 VanDerWaalsContact CB-O 3.25Å; N363-M365 WeakPolarHBondContact CB-O 3.48Å; N363-M365 PolarHBondContact O-N 3.27Å
364P79.7Confident71.8Confident82 Ų8272.7 Ų72.753%0.53239%0.386SS..SBendtrans-64.4-11174.128-35.7000112.7A214A214-P364 PolarHBondContact N-O 3.01Å
365M83.8Confident71.6Confident71 Ų7175 Ų7535%0.3540%0.396SS..EExtended strand (participates in β ladder)trans-134128.9176.1-177.7-174.170.900109.8P211 F212 Y213 N363 L367P211-M365 HydrophobicContact CB-CG 3.78Å; P211-M365 HydrophobicContact CB-SD 3.32Å; P211-M365 WeakPolarHBondContact CB-SD 3.33Å; F212-M365 CarbonylContact O-C 3.6Å; F212-M365 VanDerWaalsContact O-CA 3.29Å; F212-M365 WeakPolarHBondContact O-CA 3.47Å; Y213-M365 HydrophobicContact CD1-CB 4.29Å; Y213-M365 HydrophobicContact CD1-CG 4.22Å; Y213-M365 HydrophobicContact CE1-CB 4.46Å; Y213-M365 HydrophobicContact CE1-CG 4.15Å; Y213-M365 HydrophobicContact CE1-SD 3.88Å; N363-M365 VanDerWaalsContact CB-O 3.25Å; N363-M365 WeakPolarHBondContact CB-O 3.48Å; N363-M365 PolarHBondContact O-N 3.27Å; M365-L367 HydrophobicContact CE-CD2 3.84Å
366L82.9Confident72.2Confident8 Ų873 Ų734%0.04240%0.401CS..EExtended strand (participates in β ladder)trans-101.5141.3170.4-56-178000110.4A112 P113 F115 F212 W308 H361A112-L366 HydrophobicContact CB-CD1 4.39Å; P113-L366 HydrophobicContact CG-CD1 4.3Å; F115-L366 HydrophobicContact CZ-CB 3.91Å; F212-L366 HydrophobicContact CB-CB 4.5Å; F212-L366 PolarHBondContact N-O 3.06Å; F212-L366 PolarHBondContact O-N 2.72Å; W308-L366 HydrophobicContact CB-CD1 4.44Å; W308-L366 HydrophobicContact CD2-CD1 3.47Å; W308-L366 VanDerWaalsContact CD2-CD1 3.47Å; W308-L366 HydrophobicContact CD2-CG 3.96Å; W308-L366 HydrophobicContact CE3-CD1 3.69Å; W308-L366 HydrophobicContact CE3-CG 4.35Å; W308-L366 HydrophobicContact CG-CD1 3.85Å; W308-L366 HydrophobicContact CG-CG 4.5Å; W308-L366 HydrophobicContact CH2-CD1 4.15Å; W308-L366 HydrophobicContact CH2-CG 3.97Å; W308-L366 HydrophobicContact CZ2-CD1 4.04Å; W308-L366 HydrophobicContact CZ2-CD2 4.41Å; W308-L366 HydrophobicContact CZ2-CG 3.62Å; W308-L366 HydrophobicContact CZ3-CD1 4.03Å; W308-L366 HydrophobicContact CZ3-CG 4.36Å; H361-L366 HydrophobicContact CB-CD1 4Å; H361-L366 HydrophobicContact CB-CD2 3.58Å; H361-L366 HydrophobicContact CB-CG 4.44Å
367L75Confident72.9Confident87 Ų8777 Ų7746%0.45542%0.421SS..EExtended strand (participates in β ladder)trans-89.8120.9176.5-64.4-178.5000108.6F115 P209 M365 S369F115-L367 WeakPolarHBondContact CE2-O 3.38Å; P209-L367 HydrophobicContact CB-CB 4Å; P209-L367 HydrophobicContact CB-CD2 4.43Å; P209-L367 HydrophobicContact CG-CB 4.15Å; P209-L367 HydrophobicContact CG-CD1 4Å; P209-L367 HydrophobicContact CG-CD2 4.01Å; P209-L367 HydrophobicContact CG-CG 4.27Å; M365-L367 HydrophobicContact CE-CD2 3.84Å; L367-S369 PolarHBondContact O-N 2.91Å
368G64.5Low73.6Confident16 Ų1680.2 Ų80.217%0.16543%0.432CS..SBendtrans-64.5-1.1-173.600000115.9F115 R210F115-G368 WeakPolarHBondContact CB-O 3.29Å; F115-G368 VanDerWaalsContact CE1-CA 3.5Å; F115-G368 VanDerWaalsContact CG-CA 3.48Å; F115-G368 WeakPolarHBondContact CG-O 3.24Å; R210-G368 WeakPolarHBondContact O-CA 3.35Å; R210-G368 PolarHBondContact O-N 3.36Å
369S63.1Low74.3Confident30 Ų3079.1 Ų79.121%0.2143%0.43CS..  trans-151.6137.8167.853.90000109.9P209 L367 Y371P209-S369 WeakPolarHBondContact CB-OG 3.17Å; L367-S369 PolarHBondContact O-N 2.91Å; S369-Y371 PolarHBondContact O-N 2.96Å; S369-Y371 VanDerWaalsContact O-N 3.11Å; S369-Y371 WeakPolarHBondContact OG-CD2 3.44Å
370T54.5Low74.7Confident147 Ų14782.6 Ų82.690%0.90244%0.441SS*.  trans-72.411.8167.654.30000112.8S372T370-S372 PolarHBondContact O-N 2.9Å
371Y58.8Low74.6Confident80 Ų8083.7 Ų83.731%0.31445%0.446SS..  trans-63.2115.7174.9-63.9-57.6000107.7S369 D375 R380 H381S369-Y371 PolarHBondContact O-N 2.96Å; S369-Y371 VanDerWaalsContact O-N 3.11Å; S369-Y371 WeakPolarHBondContact OG-CD2 3.44Å; Y371-D375 VanDerWaalsContact CA-OD2 3.31Å; Y371-D375 WeakPolarHBondContact CA-OD2 3.42Å; Y371-D375 HydrophobicContact CD1-CB 4.25Å; Y371-R380 PolarHBondContact OH-NH2 3.28Å; Y371-H381 AromaticContact CE2-CE1 3.87Å; Y371-H381 AromaticContact CE2-NE2 3.96Å; Y371-H381 AromaticContact CZ-CE1 3.77Å; Y371-H381 AromaticContact CZ-NE2 3.74Å; Y371-H381 PolarHBondContact OH-NE2 2.92Å
372S57.5Low74.6Confident58 Ų5882.4 Ų82.441%0.40644%0.443SS..  trans-60.7149.4167.21780000107.9T370 T374 D375T370-S372 PolarHBondContact O-N 2.9Å; S372-T374 WeakPolarHBondContact CB-OG1 3.3Å; S372-T374 PolarHBondContact O-N 2.92Å; S372-T374 PolarHBondContact OG-N 3.43Å; S372-T374 PolarHBondContact OG-OG1 3.02Å; S372-D375 PolarHBondContact N-OD2 3.4Å; S372-D375 VanDerWaalsContact N-OD2 3.1Å; S372-D375 WeakPolarHBondContact O-CB 3.41Å; S372-D375 PolarHBondContact O-N 2.99Å
373E63.3Low74.7Confident169 Ų16981.2 Ų81.279%0.7944%0.439SS*.THydrogen-bonded Turntrans-53.6-18.9170.6-66-176.3167.900112.3
374T69Low74.9Confident116 Ų11676.6 Ų76.671%0.71242%0.417SS*.THydrogen-bonded Turntrans-86.9-10.5177.561.30000114.7S372S372-T374 WeakPolarHBondContact CB-OG1 3.3Å; S372-T374 PolarHBondContact O-N 2.92Å; S372-T374 PolarHBondContact OG-N 3.43Å; S372-T374 PolarHBondContact OG-OG1 3.02Å
375D71.9Confident75.3Confident74 Ų7474.5 Ų74.540%0.39640%0.404SS..SBendtrans-74.2129.8-174.8-76-19.4000111.1Y371 S372 I377Y371-D375 VanDerWaalsContact CA-OD2 3.31Å; Y371-D375 WeakPolarHBondContact CA-OD2 3.42Å; Y371-D375 HydrophobicContact CD1-CB 4.25Å; S372-D375 PolarHBondContact N-OD2 3.4Å; S372-D375 VanDerWaalsContact N-OD2 3.1Å; S372-D375 WeakPolarHBondContact O-CB 3.41Å; S372-D375 PolarHBondContact O-N 2.99Å; D375-I377 PolarHBondContact O-N 2.88Å
376P80Confident75.7Confident104 Ų10475.1 Ų75.168%0.67541%0.408SS*.  trans-65.2135.5-178.625.6-33.3000111K378P376-K378 PolarHBondContact O-N 3.3Å; P376-K378 VanDerWaalsContact O-N 3.1Å
377I79.6Confident76.1Confident82 Ų8278.6 Ų78.642%0.42143%0.429SS..  trans-61.3115.6174.7-60.1174.5000108.6L206 L207 D375 H381 V382L206-I377 HydrophobicContact CB-CD1 4.3Å; L207-I377 HydrophobicContact CD2-CD1 4.26Å; D375-I377 PolarHBondContact O-N 2.88Å; I377-H381 HydrophobicContact CG2-CB 4.02Å; I377-V382 HydrophobicContact CG2-CG2 3.9Å
378K82.9Confident76.7Confident105 Ų10580.1 Ų80.146%0.45743%0.43SS..  trans-78.2149.1177.3-63.5-178.6-178.1179.30110.2P376 R380 H381P376-K378 PolarHBondContact O-N 3.3Å; P376-K378 VanDerWaalsContact O-N 3.1Å; K378-R380 HydrophobicContact CB-CG 3.86Å; K378-R380 PolarHBondContact O-N 3.37Å; K378-H381 WeakPolarHBondContact O-CB 3.49Å; K378-H381 PolarHBondContact O-N 3.29Å
379L85.1Confident78Confident136 Ų13684.4 Ų84.471%0.71245%0.449SS*.G310 helixtrans-53.1-33.5178.2-170.967.2000113H381 V382 S383 L386L379-H381 PolarHBondContact O-N 2.81Å; L379-V382 CarbonylContact O-C 3.53Å; L379-V382 PolarHBondContact O-N 3.49Å; L379-S383 PolarHBondContact O-N 2.9Å; L379-L386 HydrophobicContact CD1-CD1 3.75Å; L379-L386 HydrophobicContact CG-CD1 4.37Å
380R84.1Confident79.5Confident125 Ų12588.3 Ų88.347%0.47247%0.466SS..G310 helixtrans-59.2-25.7175.468.1173.6-177.1-166.4-0.9114.2Y371 K378 V382 S383Y371-R380 PolarHBondContact OH-NH2 3.28Å; K378-R380 HydrophobicContact CB-CG 3.86Å; K378-R380 PolarHBondContact O-N 3.37Å; R380-V382 VanDerWaalsContact C-N 3.31Å; R380-S383 PolarHBondContact O-OG 3.48Å; R380-S383 VanDerWaalsContact O-OG 3.11Å
381H79.4Confident81.4Confident31 Ų3185.1 Ų85.114%0.14444%0.443CS..G310 helixtrans-75.7-25.2177.9-58.5166.8000111.1F120 L206 Y371 I377 K378 L379F120-H381 WeakPolarHBondContact CB-O 3.29Å; F120-H381 PolarHBondContact N-O 3.22Å; L206-H381 HydrophobicContact CD2-CB 4.43Å; Y371-H381 AromaticContact CE2-CE1 3.87Å; Y371-H381 AromaticContact CE2-NE2 3.96Å; Y371-H381 AromaticContact CZ-CE1 3.77Å; Y371-H381 AromaticContact CZ-NE2 3.74Å; Y371-H381 PolarHBondContact OH-NE2 2.92Å; I377-H381 HydrophobicContact CG2-CB 4.02Å; K378-H381 WeakPolarHBondContact O-CB 3.49Å; K378-H381 PolarHBondContact O-N 3.29Å; L379-H381 PolarHBondContact O-N 2.81Å
382V84.8Confident83.1Confident47 Ų4784.9 Ų84.929%0.28545%0.452SS..SBendtrans-106.512.1-177.8-160.70000111.6I377 L379 R380 G384 P385 L386I377-V382 HydrophobicContact CG2-CG2 3.9Å; L379-V382 CarbonylContact O-C 3.53Å; L379-V382 PolarHBondContact O-N 3.49Å; R380-V382 VanDerWaalsContact C-N 3.31Å; V382-G384 VanDerWaalsContact C-N 3.28Å; V382-G384 PolarHBondContact O-N 3.45Å; V382-P385 HydrophobicContact CG1-CB 4.33Å; V382-P385 HydrophobicContact CG1-CG 4.14Å; V382-P385 WeakPolarHBondContact O-CD 3.4Å; V382-L386 WeakPolarHBondContact O-CG 3.33Å; V382-L386 PolarHBondContact O-N 2.83Å
383S87.5Confident84.9Confident28 Ų2885.9 Ų85.920%0.19646%0.456CS..Hα-helixtrans-60.6-37.1-179.958.90000112.5L379 R380 L386 V387L379-S383 PolarHBondContact O-N 2.9Å; R380-S383 PolarHBondContact O-OG 3.48Å; R380-S383 VanDerWaalsContact O-OG 3.11Å; S383-L386 PolarHBondContact O-N 2.97Å; S383-V387 WeakPolarHBondContact O-CG2 3.41Å; S383-V387 PolarHBondContact O-N 2.74Å
384G86.5Confident86.4Confident12 Ų1283 Ų8312%0.12445%0.445CS..Hα-helixtrans-53.1-62.8178.200000112.4V382 L386 V387 Y388V382-G384 VanDerWaalsContact C-N 3.28Å; V382-G384 PolarHBondContact O-N 3.45Å; G384-L386 PolarHBondContact O-N 2.92Å; G384-V387 WeakPolarHBondContact O-CB 3.48Å; G384-V387 PolarHBondContact O-N 3.35Å; G384-Y388 VanDerWaalsContact O-CD2 3.32Å; G384-Y388 WeakPolarHBondContact O-CD2 3.33Å; G384-Y388 PolarHBondContact O-N 2.87Å
385P87.9Confident87.7Confident39 Ų3982.2 Ų82.225%0.25344%0.436SS..Hα-helixtrans-54-36.8176.4-29.535000114.4F120 P122 V382 Y388 L389F120-P385 HydrophobicContact CD1-CG 3.45Å; F120-P385 VanDerWaalsContact CD1-CG 3.45Å; F120-P385 HydrophobicContact CE1-CG 3.71Å; P122-P385 HydrophobicContact CB-CG 4.38Å; P122-P385 HydrophobicContact CG-CG 4.42Å; V382-P385 HydrophobicContact CG1-CB 4.33Å; V382-P385 HydrophobicContact CG1-CG 4.14Å; V382-P385 WeakPolarHBondContact O-CD 3.4Å; P385-Y388 PolarHBondContact O-N 3.49Å; P385-L389 WeakPolarHBondContact O-CB 3.42Å; P385-L389 PolarHBondContact O-N 3.32Å
386L90.9Very high88.6Confident83 Ų8381.6 Ų81.644%0.43544%0.44SS..Hα-helixtrans-66.2-39.3177.1-66.5173.1000112.1L379 V382 S383 G384 L389 L390L379-L386 HydrophobicContact CD1-CD1 3.75Å; L379-L386 HydrophobicContact CG-CD1 4.37Å; V382-L386 WeakPolarHBondContact O-CG 3.33Å; V382-L386 PolarHBondContact O-N 2.83Å; S383-L386 PolarHBondContact O-N 2.97Å; G384-L386 PolarHBondContact O-N 2.92Å; L386-L389 PolarHBondContact O-N 2.94Å; L386-L390 PolarHBondContact O-N 3.43Å
387V91.1Very high89.3Confident82 Ų8279.7 Ų79.750%0.49743%0.43SS..Hα-helixtrans-64.5-43.6173.7172.20000110.7S383 G384 L389 L390 I391S383-V387 WeakPolarHBondContact O-CG2 3.41Å; S383-V387 PolarHBondContact O-N 2.74Å; G384-V387 WeakPolarHBondContact O-CB 3.48Å; G384-V387 PolarHBondContact O-N 3.35Å; V387-L389 PolarHBondContact O-N 3.16Å; V387-L390 WeakPolarHBondContact O-CB 3.38Å; V387-L390 PolarHBondContact O-N 3Å; V387-I391 HydrophobicContact CG1-CD1 3.99Å; V387-I391 WeakPolarHBondContact O-CG1 3.4Å; V387-I391 PolarHBondContact O-N 2.96Å
388Y88.9Confident90Very high118 Ų11878.5 Ų78.546%0.46343%0.432SS..Hα-helixtrans-60.6-44175-84.5-84.9000112.1P122 G384 P385 L390 I391 C392P122-Y388 HydrophobicContact CG-CD2 3.35Å; P122-Y388 HydrophobicContact CG-CE2 3.4Å; P122-Y388 HydrophobicContact CG-CG 4.18Å; G384-Y388 VanDerWaalsContact O-CD2 3.32Å; G384-Y388 WeakPolarHBondContact O-CD2 3.33Å; G384-Y388 PolarHBondContact O-N 2.87Å; P385-Y388 PolarHBondContact O-N 3.49Å; Y388-L390 VanDerWaalsContact C-N 3.34Å; Y388-L390 PolarHBondContact O-N 3.16Å; Y388-I391 PolarHBondContact O-N 3.34Å; Y388-C392 PolarHBondContact O-N 2.85Å; Y388-C392 PolarHBondContact O-SG 3.38Å; Y388-C392 VanDerWaalsContact O-SG 3.35Å
389L92Very high90.4Very high107 Ų10776.9 Ų76.956%0.5643%0.431SS*.Hα-helixtrans-59.9-44.7176.1-178.965.4000111.5P385 L386 V387 I391 C392 V393P385-L389 WeakPolarHBondContact O-CB 3.42Å; P385-L389 PolarHBondContact O-N 3.32Å; L386-L389 PolarHBondContact O-N 2.94Å; V387-L389 PolarHBondContact O-N 3.16Å; L389-I391 VanDerWaalsContact C-N 3.34Å; L389-I391 PolarHBondContact O-N 3.37Å; L389-C392 PolarHBondContact O-N 2.96Å; L389-V393 HydrophobicContact CD1-CG2 4.48Å; L389-V393 WeakPolarHBondContact O-CG2 3.24Å; L389-V393 PolarHBondContact O-N 3.26Å
390L94.9Very high90.7Very high111 Ų11174.6 Ų74.658%0.58142%0.419SS*.Hα-helixtrans-58.1-46.9176.7-171.392.7000111.2L386 V387 Y388 C392 V393 L394L386-L390 PolarHBondContact O-N 3.43Å; V387-L390 WeakPolarHBondContact O-CB 3.38Å; V387-L390 PolarHBondContact O-N 3Å; Y388-L390 VanDerWaalsContact C-N 3.34Å; Y388-L390 PolarHBondContact O-N 3.16Å; L390-C392 VanDerWaalsContact C-N 3.35Å; L390-C392 PolarHBondContact O-N 3.2Å; L390-V393 PolarHBondContact O-N 3.47Å; L390-L394 HydrophobicContact CD2-CD1 4.42Å; L390-L394 HydrophobicContact CG-CD1 4.38Å; L390-L394 VanDerWaalsContact O-CG 3.31Å; L390-L394 WeakPolarHBondContact O-CG 3.44Å; L390-L394 PolarHBondContact O-N 3.28Å
391I94.4Very high91.2Very high80 Ų8075.7 Ų75.741%0.4143%0.427SS..Hα-helixtrans-59.7-45.9177.5-67.1165.7000110.5V387 Y388 L389 V393 L394 I395V387-I391 HydrophobicContact CG1-CD1 3.99Å; V387-I391 WeakPolarHBondContact O-CG1 3.4Å; V387-I391 PolarHBondContact O-N 2.96Å; Y388-I391 PolarHBondContact O-N 3.34Å; L389-I391 VanDerWaalsContact C-N 3.34Å; L389-I391 PolarHBondContact O-N 3.37Å; I391-V393 PolarHBondContact O-N 3.02Å; I391-L394 PolarHBondContact O-N 3.23Å; I391-I395 HydrophobicContact CG2-CD1 3.9Å; I391-I395 WeakPolarHBondContact O-CG1 3.34Å; I391-I395 PolarHBondContact O-N 3.03Å
392C93Very high91.8Very high76 Ų7677.9 Ų77.951%0.51444%0.443SS..Hα-helixtrans-61.6-41.9177.8-69.60000112.6Y388 L389 L390 L394 I395 A396Y388-C392 PolarHBondContact O-N 2.85Å; Y388-C392 PolarHBondContact O-SG 3.38Å; Y388-C392 VanDerWaalsContact O-SG 3.35Å; L389-C392 PolarHBondContact O-N 2.96Å; L390-C392 VanDerWaalsContact C-N 3.35Å; L390-C392 PolarHBondContact O-N 3.2Å; C392-L394 VanDerWaalsContact C-N 3.34Å; C392-I395 PolarHBondContact O-N 2.94Å; C392-A396 WeakPolarHBondContact O-CB 3.4Å; C392-A396 PolarHBondContact O-N 2.94Å
393V95.1Very high91.9Very high79 Ų7979.5 Ų79.548%0.47945%0.447SS..Hα-helixtrans-64.2-39.6177170.60000111.3L389 L390 I391 A396 S397L389-V393 HydrophobicContact CD1-CG2 4.48Å; L389-V393 WeakPolarHBondContact O-CG2 3.24Å; L389-V393 PolarHBondContact O-N 3.26Å; L390-V393 PolarHBondContact O-N 3.47Å; I391-V393 PolarHBondContact O-N 3.02Å; V393-A396 PolarHBondContact O-N 3.31Å; V393-S397 WeakPolarHBondContact O-CB 3.32Å; V393-S397 PolarHBondContact O-N 2.87Å; V393-S397 PolarHBondContact O-OG 2.71Å
394L96.3Very high91.9Very high107 Ų10786.1 Ų86.156%0.5647%0.468SS*.Hα-helixtrans-64.3-44.1176.2-70.4172.1000111.7L390 I391 C392 S397 A398L390-L394 HydrophobicContact CD2-CD1 4.42Å; L390-L394 HydrophobicContact CG-CD1 4.38Å; L390-L394 VanDerWaalsContact O-CG 3.31Å; L390-L394 WeakPolarHBondContact O-CG 3.44Å; L390-L394 PolarHBondContact O-N 3.28Å; I391-L394 PolarHBondContact O-N 3.23Å; C392-L394 VanDerWaalsContact C-N 3.34Å; L394-S397 PolarHBondContact O-N 3.44Å; L394-A398 PolarHBondContact O-N 3.46Å
395I94.7Very high92.1Very high101 Ų10190.7 Ų90.752%0.51849%0.485SS..Hα-helixtrans-62.6-47.7176.2-66.3167.4000110.5I391 C392 S397 A398 V399I391-I395 HydrophobicContact CG2-CD1 3.9Å; I391-I395 WeakPolarHBondContact O-CG1 3.34Å; I391-I395 PolarHBondContact O-N 3.03Å; C392-I395 PolarHBondContact O-N 2.94Å; I395-S397 VanDerWaalsContact C-N 3.29Å; I395-S397 PolarHBondContact O-N 3.4Å; I395-A398 WeakPolarHBondContact O-CB 3.33Å; I395-A398 PolarHBondContact O-N 3.01Å; I395-A398 VanDerWaalsContact O-N 3.16Å; I395-V399 WeakPolarHBondContact O-CG2 3.47Å; I395-V399 PolarHBondContact O-N 2.98Å
396A92.6Very high92Very high60 Ų6097.2 Ų97.250%0.49650%0.504SS..Hα-helixtrans-60.5-39.8178.300000112.1C392 V393 V399 L400C392-A396 WeakPolarHBondContact O-CB 3.4Å; C392-A396 PolarHBondContact O-N 2.94Å; V393-A396 PolarHBondContact O-N 3.31Å; A396-V399 PolarHBondContact O-N 2.75Å; A396-L400 WeakPolarHBondContact O-CB 3.41Å; A396-L400 PolarHBondContact O-N 3.43Å
397S94.3Very high91.7Very high65 Ų6597.4 Ų97.446%0.45552%0.517SS..Hα-helixtrans-64.9-40175.9-580000111.9V393 L394 I395 L400 F401V393-S397 WeakPolarHBondContact O-CB 3.32Å; V393-S397 PolarHBondContact O-N 2.87Å; V393-S397 PolarHBondContact O-OG 2.71Å; L394-S397 PolarHBondContact O-N 3.44Å; I395-S397 VanDerWaalsContact C-N 3.29Å; I395-S397 PolarHBondContact O-N 3.4Å; S397-L400 PolarHBondContact O-N 2.87Å; S397-F401 WeakPolarHBondContact O-CB 3.47Å; S397-F401 PolarHBondContact O-N 2.58Å
398A94.7Very high91.2Very high56 Ų56104.1 Ų104.146%0.46353%0.534SS..Hα-helixtrans-65.5-43.5175.700000111.9L394 I395 F401 V402L394-A398 PolarHBondContact O-N 3.46Å; I395-A398 WeakPolarHBondContact O-CB 3.33Å; I395-A398 PolarHBondContact O-N 3.01Å; I395-A398 VanDerWaalsContact O-N 3.16Å; A398-F401 PolarHBondContact O-N 3.47Å; A398-V402 WeakPolarHBondContact O-CG2 3.14Å; A398-V402 PolarHBondContact O-N 3.17Å
399V91.3Very high90.2Very high71 Ų71109.8 Ų109.843%0.4355%0.554SS.*Hα-helixtrans-61-47.2175.5173.90000110.7I395 A396 F401 V402 E403I395-V399 WeakPolarHBondContact O-CG2 3.47Å; I395-V399 PolarHBondContact O-N 2.98Å; A396-V399 PolarHBondContact O-N 2.75Å; V399-F401 VanDerWaalsContact C-N 3.29Å; V399-F401 PolarHBondContact O-N 3.48Å; V399-V402 PolarHBondContact O-N 3.45Å; V399-V402 VanDerWaalsContact O-N 3.16Å; V399-E403 HydrophobicContact CG1-CG 4.33Å; V399-E403 WeakPolarHBondContact O-CG 3.27Å; V399-E403 PolarHBondContact O-N 3.07Å
400L91.4Very high90.1Very high89 Ų89109.9 Ų109.947%0.46655%0.554SS.*Hα-helixtrans-61.2-37.8177.5-176.6145.1000112.3A396 S397 R404A396-L400 WeakPolarHBondContact O-CB 3.41Å; A396-L400 PolarHBondContact O-N 3.43Å; S397-L400 PolarHBondContact O-N 2.87Å; L400-R404 HydrophobicContact CD2-CG 4.47Å; L400-R404 WeakPolarHBondContact O-CB 3.2Å; L400-R404 WeakPolarHBondContact O-CG 3.36Å; L400-R404 PolarHBondContact O-N 3.06Å
401F92.7Very high89.9Confident147 Ų147109.8 Ų109.865%0.64555%0.553SS**Hα-helixtrans-64.9-44.2175.4-174.6-95.6000111.6S397 A398 V399 R404 F405S397-F401 WeakPolarHBondContact O-CB 3.47Å; S397-F401 PolarHBondContact O-N 2.58Å; A398-F401 PolarHBondContact O-N 3.47Å; V399-F401 VanDerWaalsContact C-N 3.29Å; V399-F401 PolarHBondContact O-N 3.48Å; F401-R404 PolarHBondContact O-N 3.47Å; F401-F405 WeakPolarHBondContact O-CB 3.36Å; F401-F405 PolarHBondContact O-N 2.91Å
402V92.2Very high89.6Confident77 Ų77111.5 Ų111.547%0.46756%0.561SS.*Hα-helixtrans-63-48176.1172.60000110.7A398 V399 R404 F405 W406A398-V402 WeakPolarHBondContact O-CG2 3.14Å; A398-V402 PolarHBondContact O-N 3.17Å; V399-V402 PolarHBondContact O-N 3.45Å; V399-V402 VanDerWaalsContact O-N 3.16Å; V402-R404 PolarHBondContact O-N 2.91Å; V402-F405 PolarHBondContact O-N 3.44Å; V402-F405 VanDerWaalsContact O-N 3.15Å; V402-W406 VanDerWaalsContact O-CD1 3.27Å; V402-W406 PolarHBondContact O-N 3.15Å
403E87.6Confident89.4Confident81 Ų81113.6 Ų113.638%0.37956%0.563SS.*Hα-helixtrans-58.8-44.6178.1-74.3178.6176.300112Y162 V399 F405 W406 A407Y162-E403 PolarHBondContact OH-OE1 3.5Å; V399-E403 HydrophobicContact CG1-CG 4.33Å; V399-E403 WeakPolarHBondContact O-CG 3.27Å; V399-E403 PolarHBondContact O-N 3.07Å; E403-F405 VanDerWaalsContact C-N 3.34Å; E403-F405 PolarHBondContact O-N 3.41Å; E403-W406 PolarHBondContact O-N 2.96Å; E403-A407 WeakPolarHBondContact O-CB 3.48Å; E403-A407 PolarHBondContact O-N 3.41Å
404R88.5Confident89Confident168 Ų168115.8 Ų115.863%0.63457%0.569SS**Hα-helixtrans-66-35176.1-81-169.3172.2-178.30.1113.2L400 F401 V402 R408L400-R404 HydrophobicContact CD2-CG 4.47Å; L400-R404 WeakPolarHBondContact O-CB 3.2Å; L400-R404 WeakPolarHBondContact O-CG 3.36Å; L400-R404 PolarHBondContact O-N 3.06Å; F401-R404 PolarHBondContact O-N 3.47Å; V402-R404 PolarHBondContact O-N 2.91Å; R404-R408 WeakPolarHBondContact O-CG 3.29Å; R404-R408 PolarHBondContact O-N 3.39Å
405F89Confident88.6Confident108 Ų108116.3 Ų116.347%0.47457%0.569SS.*Hα-helixtrans-69.6-40.3177.4-170.7-94.8000111.4F401 V402 E403 R408F401-F405 WeakPolarHBondContact O-CB 3.36Å; F401-F405 PolarHBondContact O-N 2.91Å; V402-F405 PolarHBondContact O-N 3.44Å; V402-F405 VanDerWaalsContact O-N 3.15Å; E403-F405 VanDerWaalsContact C-N 3.34Å; E403-F405 PolarHBondContact O-N 3.41Å; F405-R408 PolarHBondContact O-N 3.19Å
406W86.2Confident88.1Confident176 Ų176117.4 Ų117.467%0.66757%0.573SS**Hα-helixtrans-69.3-38.9175.6-85.884.3000112.8V402 E403 R408 R409V402-W406 VanDerWaalsContact O-CD1 3.27Å; V402-W406 PolarHBondContact O-N 3.15Å; E403-W406 PolarHBondContact O-N 2.96Å; W406-R408 PolarHBondContact O-N 3.24Å; W406-R409 PolarHBondContact O-N 3.49Å; W406-R409 VanDerWaalsContact O-OXT 3.13Å
407A84.3Confident87.8Confident86 Ų86121.8 Ų121.871%0.71158%0.579SS**THydrogen-bonded Turntrans-69-14.3178.200000114.4E403E403-A407 WeakPolarHBondContact O-CB 3.48Å; E403-A407 PolarHBondContact O-N 3.41Å
408R81.9Confident87.2Confident224 Ų224126.6 Ų126.685%0.84559%0.589SS**THydrogen-bonded Turntrans-89.9-14.1174.7-77.3-177.2179.9-178.30.2113.5R404 F405 W406R404-R408 WeakPolarHBondContact O-CG 3.29Å; R404-R408 PolarHBondContact O-N 3.39Å; F405-R408 PolarHBondContact O-N 3.19Å; W406-R408 PolarHBondContact O-N 3.24Å
409R67Low86.6Confident236 Ų236133 Ų13389%0.89160%0.601SS**  trans-900169.7-76.6-173.8177.7178.9-1.2109.2W406W406-R409 PolarHBondContact O-N 3.49Å; W406-R409 VanDerWaalsContact O-OXT 3.13Å

Retrieved 409 of 409 residues in 323.6 ms (Link to these results)

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