A0A077ZDK3_TRITR Loading...

Bifunctional coenzyme A synthase

AlphaFold DB , UniProt , Accession A0A077ZDK3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 520 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
1M77Confident77.1Confident107 Ų10724.6 Ų24.653%0.52712%0.116SC..  0137.20-171.8179.9-179.600108.5V3 C31 T32 D90 S91 Y120M1-V3 HydrophobicContact CE-CG2 3.95Å; M1-V3 HydrophobicContact CG-CG2 4.17Å; M1-V3 HydrophobicContact SD-CG2 4.23Å; M1-C31 CarbonylContact O-C 3.5Å; M1-C31 VanDerWaalsContact O-CA 3.31Å; M1-C31 WeakPolarHBondContact O-CA 3.43Å; M1-C31 PolarHBondContact O-SG 3.29Å; M1-T32 PolarHBondContact O-N 2.97Å; M1-D90 VanDerWaalsContact C-OD2 3.32Å; M1-D90 WeakPolarHBondContact CA-OD2 3.27Å; M1-D90 HydrophobicContact CG-CB 3.92Å; M1-S91 WeakPolarHBondContact CE-OG 3.36Å; M1-Y120 HydrophobicContact CE-CE2 4.15Å; M1-Y120 WeakPolarHBondContact CE-OH 3.38Å
2K83Confident74.9Confident78 Ų7828.4 Ų28.434%0.33915%0.147SC..EExtended strand (participates in β ladder)trans-110.1121173.6-69.4175.4175.6177.70108.5T32 Y34 N88 V89 D90 S91K2-T32 WeakPolarHBondContact CA-O 3.43Å; K2-Y34 HydrophobicContact CB-CE2 4.22Å; K2-Y34 HydrophobicContact CD-CE2 4.46Å; K2-Y34 HydrophobicContact CG-CE2 4.11Å; K2-N88 WeakPolarHBondContact CD-O 3.48Å; K2-V89 HydrophobicContact CB-CG1 4.23Å; K2-D90 PolarHBondContact N-OD2 3.48Å; K2-D90 PolarHBondContact O-N 3.23Å; K2-S91 PolarHBondContact O-N 3.43Å
3V84Confident73.3Confident3 Ų329.9 Ų29.92%0.01816%0.159CC..EExtended strand (participates in β ladder)trans-115.2133.1-179.51750000108.1M1 I25 C31 T32 V33 Y34 S91 I93M1-V3 HydrophobicContact CE-CG2 3.95Å; M1-V3 HydrophobicContact CG-CG2 4.17Å; M1-V3 HydrophobicContact SD-CG2 4.23Å; V3-I25 HydrophobicContact CG2-CG2 4.47Å; V3-C31 WeakPolarHBondContact CG2-SG 3.47Å; V3-T32 PolarHBondContact N-O 3.24Å; V3-V33 HydrophobicContact CB-CG2 4.44Å; V3-V33 CarbonylContact O-C 3.59Å; V3-V33 WeakPolarHBondContact O-CA 3.37Å; V3-Y34 PolarHBondContact O-N 2.83Å; V3-S91 CarbonylContact C-O 3.56Å; V3-S91 WeakPolarHBondContact CA-O 3.32Å; V3-I93 HydrophobicContact CG1-CD1 3.51Å; V3-I93 HydrophobicContact CG1-CG1 3.83Å
4L84.7Confident72.4Confident0 Ų028.4 Ų28.40%015%0.151CC..EExtended strand (participates in β ladder)trans-99.4122.5168.7-178.756.5000108.9Y34 Q36 M86 V89 S91 L92 I93L4-Y34 CarbonylContact C-O 3.53Å; L4-Y34 WeakPolarHBondContact CA-O 3.42Å; L4-Y34 WeakPolarHBondContact CD1-O 2.95Å; L4-Q36 HydrophobicContact CD1-CB 3.79Å; L4-M86 HydrophobicContact CD2-CB 4.44Å; L4-M86 HydrophobicContact CD2-CE 3.54Å; L4-M86 HydrophobicContact CD2-CG 3.63Å; L4-M86 HydrophobicContact CD2-SD 4.13Å; L4-V89 HydrophobicContact CB-CB 4.36Å; L4-V89 HydrophobicContact CB-CG1 4.02Å; L4-V89 HydrophobicContact CB-CG2 4.23Å; L4-S91 PolarHBondContact N-O 2.89Å; L4-L92 HydrophobicContact CB-CD1 3.83Å; L4-L92 HydrophobicContact CD2-CD1 3.81Å; L4-L92 HydrophobicContact CG-CD1 3.68Å; L4-L92 CarbonylContact O-C 3.45Å; L4-L92 WeakPolarHBondContact O-CA 3.4Å; L4-L92 WeakPolarHBondContact O-CD1 3.41Å; L4-I93 PolarHBondContact O-N 2.9Å
5L84.8Confident72Confident1 Ų133.1 Ų33.11%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-94.4113.1164.5175.955.5000108.3L7 L18 L21 V33 Y34 L35 Q36 I93L5-L7 HydrophobicContact CD1-CD2 4.07Å; L5-L7 HydrophobicContact CD2-CD2 4.28Å; L5-L7 HydrophobicContact CG-CD2 4Å; L5-L18 HydrophobicContact CD2-CD1 3.41Å; L5-L18 VanDerWaalsContact CD2-CD1 3.41Å; L5-L21 HydrophobicContact CD1-CD2 3.48Å; L5-L21 VanDerWaalsContact CD1-CD2 3.48Å; L5-L21 HydrophobicContact CD2-CD2 3.67Å; L5-L21 HydrophobicContact CG-CD2 4.19Å; L5-V33 HydrophobicContact CB-CG1 4.25Å; L5-Y34 PolarHBondContact N-O 2.84Å; L5-L35 HydrophobicContact CD2-CD1 4.07Å; L5-L35 WeakPolarHBondContact O-CA 3.3Å; L5-Q36 PolarHBondContact O-N 3.49Å; L5-I93 CarbonylContact C-O 3.58Å; L5-I93 WeakPolarHBondContact CA-O 3.32Å; L5-I93 HydrophobicContact CD1-CB 4.22Å; L5-I93 HydrophobicContact CD1-CG2 3.82Å
6Y82.3Confident71.6Confident5 Ų536.6 Ų36.62%0.0219%0.192CC..EExtended strand (participates in β ladder)trans-106.8108.5-179-165.1-113.1000109.7T8 Q36 H38 D82 I93 D95 F130Y6-T8 HydrophobicContact CD1-CG2 3.48Å; Y6-T8 VanDerWaalsContact CD1-CG2 3.48Å; Y6-T8 HydrophobicContact CE1-CG2 3.67Å; Y6-Q36 WeakPolarHBondContact CA-O 3.48Å; Y6-Q36 HydrophobicContact CD2-CB 3.86Å; Y6-Q36 HydrophobicContact CD2-CG 3.82Å; Y6-Q36 HydrophobicContact CE2-CB 4.28Å; Y6-Q36 HydrophobicContact CE2-CG 3.71Å; Y6-H38 HydrophobicContact CE1-CB 4.21Å; Y6-H38 AromaticContact CE1-CD2 3.74Å; Y6-H38 AromaticContact CZ-CD2 3.74Å; Y6-H38 PolarHBondContact OH-CD2 2.82Å; Y6-D82 PolarHBondContact OH-OD1 3.21Å; Y6-D82 PolarHBondContact OH-OD2 3.28Å; Y6-I93 PolarHBondContact N-O 3.14Å; Y6-D95 PolarHBondContact O-N 2.87Å; Y6-D95 VanDerWaalsContact O-N 3.07Å; Y6-F130 HydrophobicContact CD1-CB 4.25Å; Y6-F130 HydrophobicContact CE1-CB 3.98Å
7L81.4Confident71.7Confident7 Ų737.7 Ų37.74%0.03719%0.193CC..EExtended strand (participates in β ladder)trans-86.5112.8-178.8-63.2-172.1000110.1L5 V14 L35 Q36 V37 H38 F53 D95L5-L7 HydrophobicContact CD1-CD2 4.07Å; L5-L7 HydrophobicContact CD2-CD2 4.28Å; L5-L7 HydrophobicContact CG-CD2 4Å; L7-V14 HydrophobicContact CD1-CG2 4.36Å; L7-L35 HydrophobicContact CD1-CD1 3.9Å; L7-L35 HydrophobicContact CD1-CD2 4.24Å; L7-L35 HydrophobicContact CD1-CG 4.3Å; L7-L35 HydrophobicContact CG-CD1 4.32Å; L7-L35 HydrophobicContact CG-CG 4.39Å; L7-Q36 PolarHBondContact N-O 3.43Å; L7-V37 HydrophobicContact CB-CG2 4.49Å; L7-V37 HydrophobicContact CD1-CG2 4.38Å; L7-H38 VanDerWaalsContact O-CB 3.3Å; L7-H38 WeakPolarHBondContact O-CB 3.25Å; L7-H38 PolarHBondContact O-N 2.79Å; L7-F53 HydrophobicContact CD1-CE2 3.73Å; L7-F53 HydrophobicContact CD1-CZ 3.74Å; L7-D95 HydrophobicContact CD2-CB 3.74Å
8T77Confident71.8Confident1 Ų135.8 Ų35.81%0.00618%0.183CC..  trans-104.7-11.7178.4730000113.5Y6 H38 V41 V94 D95 L133Y6-T8 HydrophobicContact CD1-CG2 3.48Å; Y6-T8 VanDerWaalsContact CD1-CG2 3.48Å; Y6-T8 HydrophobicContact CE1-CG2 3.67Å; T8-H38 HydrophobicContact CG2-CB 4.39Å; T8-V41 WeakPolarHBondContact O-CG2 3.18Å; T8-V94 HydrophobicContact CG2-CG1 3.91Å; T8-D95 PolarHBondContact OG1-O 3.4Å; T8-L133 HydrophobicContact CG2-CB 3.95Å; T8-L133 HydrophobicContact CG2-CD1 3.76Å
9Q72.8Confident71.8Confident36 Ų3637.9 Ų37.917%0.16819%0.192CC..SBendtrans-105160.4179.2-60.8-171.1-3.200112.5
10L64Low71.9Confident9 Ų937.9 Ų37.95%0.04720%0.198CC..  trans-78.1156.4176.5-85164.5000113.2S12 V41 V135L10-S12 PolarHBondContact O-N 3.35Å; L10-S12 VanDerWaalsContact O-N 3.15Å; L10-V41 HydrophobicContact CD2-CG1 3.89Å; L10-V41 HydrophobicContact CG-CG1 4.37Å; L10-V135 HydrophobicContact CD1-CG1 3.71Å; L10-V135 HydrophobicContact CG-CG1 4.33Å
11Q57Low72Confident24 Ų2436.1 Ų36.111%0.11219%0.189CC..G310 helixtrans-70-11.3-152.9-141.7-162.6-20.400118.4T13 V14 W45 F53Q11-T13 PolarHBondContact O-N 3.38Å; Q11-V14 HydrophobicContact CB-CG2 4.25Å; Q11-V14 HydrophobicContact CG-CB 4.02Å; Q11-V14 HydrophobicContact CG-CG2 3.72Å; Q11-V14 PolarHBondContact O-N 2.81Å; Q11-W45 HydrophobicContact CB-CZ2 4.37Å; Q11-W45 HydrophobicContact CG-CH2 4.46Å; Q11-W45 HydrophobicContact CG-CZ2 4.24Å; Q11-F53 HydrophobicContact CG-CD2 3.85Å; Q11-F53 HydrophobicContact CG-CE2 4.42Å; Q11-F53 VanDerWaalsContact NE2-CD2 3.31Å
12S50.4Low71.7Confident70 Ų7031.1 Ų31.149%0.4916%0.164SC..G310 helixtrans-62.9-9.4-164.557.30000114.9L10L10-S12 PolarHBondContact O-N 3.35Å; L10-S12 VanDerWaalsContact O-N 3.15Å
13T54.7Low71.2Confident48 Ų4830.9 Ų30.929%0.29417%0.173SC..G310 helixtrans-121.83.617652.50000113.8Q11 R15 P16 R17Q11-T13 PolarHBondContact O-N 3.38Å; T13-R15 PolarHBondContact O-N 3.02Å; T13-P16 WeakPolarHBondContact O-CD 3.44Å; T13-R17 WeakPolarHBondContact O-CB 3.3Å; T13-R17 WeakPolarHBondContact O-CG 3.3Å; T13-R17 PolarHBondContact O-N 3.34Å; T13-R17 VanDerWaalsContact O-N 3.12Å; T13-R17 VanDerWaalsContact OG1-CD 3.3Å; T13-R17 WeakPolarHBondContact OG1-CD 3.49Å; T13-R17 PolarHBondContact OG1-NE 2.73Å; T13-R17 VanDerWaalsContact OG1-NE 3.09Å
14V61.2Low70.6Confident9 Ų937.4 Ų37.46%0.05520%0.197CC..Hα-helixtrans-59.8-42.9-170.8168.10000112.1L7 Q11 R17 L18 F53L7-V14 HydrophobicContact CD1-CG2 4.36Å; Q11-V14 HydrophobicContact CB-CG2 4.25Å; Q11-V14 HydrophobicContact CG-CB 4.02Å; Q11-V14 HydrophobicContact CG-CG2 3.72Å; Q11-V14 PolarHBondContact O-N 2.81Å; V14-R17 PolarHBondContact O-N 3.41Å; V14-L18 HydrophobicContact CG1-CB 4.21Å; V14-L18 HydrophobicContact CG1-CD2 4.29Å; V14-L18 WeakPolarHBondContact O-CA 3.4Å; V14-L18 WeakPolarHBondContact O-CB 3.32Å; V14-L18 PolarHBondContact O-N 3.18Å; V14-F53 HydrophobicContact CG1-CE2 4.08Å
15R65.7Low69.8Low98 Ų9838.5 Ų38.537%0.3720%0.202SC..Hα-helixtrans-61.7-58.7-175.9172.9169-163.6168.913.4113.2T13 R17 L18 E19 E59 I60T13-R15 PolarHBondContact O-N 3.02Å; R15-R17 VanDerWaalsContact C-N 3.27Å; R15-R17 PolarHBondContact O-N 3.17Å; R15-L18 PolarHBondContact O-N 3.5Å; R15-E19 VanDerWaalsContact CG-OE1 3.26Å; R15-E19 WeakPolarHBondContact CG-OE1 3.5Å; R15-E19 IonicContact CZ-OE1 2.75Å; R15-E19 IonicContact NE-OE1 3.51Å; R15-E19 PolarHBondContact NE-OE1 3.15Å; R15-E19 WeakPolarHBondContact O-CB 3.48Å; R15-E19 WeakPolarHBondContact O-CG 3.27Å; R15-E19 PolarHBondContact O-N 3.36Å; R15-E59 IonicContact CZ-OE1 2.76Å; R15-E59 IonicContact NH1-OE1 3.42Å; R15-E59 PolarHBondContact NH1-OE1 3.21Å; R15-E59 VanDerWaalsContact NH1-OE1 3.09Å; R15-E59 IonicContact NH1-OE2 2.74Å; R15-E59 IonicContact NH2-OE1 3.39Å; R15-E59 PolarHBondContact NH2-OE1 3.42Å; R15-I60 HydrophobicContact CB-CD1 3.93Å; R15-I60 HydrophobicContact CG-CD1 3.71Å; R15-I60 HydrophobicContact CG-CG1 4.01Å
16P65.4Low68.5Low89 Ų8940.6 Ų40.658%0.57822%0.22SC*.Hα-helixtrans-60.3-37.4177-21.830.4000113T13 A20T13-P16 WeakPolarHBondContact O-CD 3.44Å; P16-A20 VanDerWaalsContact O-CB 3.29Å; P16-A20 WeakPolarHBondContact O-CB 3.31Å; P16-A20 PolarHBondContact O-N 3.12Å
17R73Confident67.1Low56 Ų5644 Ų4421%0.21124%0.244CC..Hα-helixtrans-66.1-49.5179.5-79.4-168179.3-177.910.8111.5T13 V14 R15 A20 L21 D95 W117T13-R17 WeakPolarHBondContact O-CB 3.3Å; T13-R17 WeakPolarHBondContact O-CG 3.3Å; T13-R17 PolarHBondContact O-N 3.34Å; T13-R17 VanDerWaalsContact O-N 3.12Å; T13-R17 VanDerWaalsContact OG1-CD 3.3Å; T13-R17 WeakPolarHBondContact OG1-CD 3.49Å; T13-R17 PolarHBondContact OG1-NE 2.73Å; T13-R17 VanDerWaalsContact OG1-NE 3.09Å; V14-R17 PolarHBondContact O-N 3.41Å; R15-R17 VanDerWaalsContact C-N 3.27Å; R15-R17 PolarHBondContact O-N 3.17Å; R17-A20 PolarHBondContact O-N 3.31Å; R17-L21 VanDerWaalsContact O-CB 3.3Å; R17-L21 WeakPolarHBondContact O-CB 3.21Å; R17-L21 PolarHBondContact O-N 3.22Å; R17-D95 IonicContact NH1-OD1 3.5Å; R17-D95 PolarHBondContact NH1-OD1 2.91Å; R17-D95 VanDerWaalsContact NH1-OD1 3.15Å; R17-W117 VanDerWaalsContact C-CZ2 3.45Å; R17-W117 HydrophobicContact CB-CD2 4.32Å; R17-W117 HydrophobicContact CB-CE3 4.39Å; R17-W117 HydrophobicContact CB-CH2 3.34Å; R17-W117 HydrophobicContact CB-CZ2 3.21Å; R17-W117 HydrophobicContact CB-CZ3 3.92Å; R17-W117 HydrophobicContact CG-CD2 3.94Å; R17-W117 VanDerWaalsContact CG-CE2 3.4Å; R17-W117 HydrophobicContact CG-CE3 4.41Å; R17-W117 HydrophobicContact CG-CH2 4.04Å; R17-W117 HydrophobicContact CG-CZ2 3.51Å; R17-W117 HydrophobicContact CG-CZ3 4.42Å; R17-W117 WeakPolarHBondContact O-CH2 3.33Å; R17-W117 WeakPolarHBondContact O-CZ2 3.33Å
18L73.3Confident65.7Low4 Ų449.9 Ų49.92%0.02128%0.283CS..Hα-helixtrans-65.5-42.9179.1-175.263.3000110.9L5 V14 R15 L21 L22 V57 I60 F70L5-L18 HydrophobicContact CD2-CD1 3.41Å; L5-L18 VanDerWaalsContact CD2-CD1 3.41Å; V14-L18 HydrophobicContact CG1-CB 4.21Å; V14-L18 HydrophobicContact CG1-CD2 4.29Å; V14-L18 WeakPolarHBondContact O-CA 3.4Å; V14-L18 WeakPolarHBondContact O-CB 3.32Å; V14-L18 PolarHBondContact O-N 3.18Å; R15-L18 PolarHBondContact O-N 3.5Å; L18-L21 PolarHBondContact O-N 3.01Å; L18-L22 HydrophobicContact CD1-CD1 4.03Å; L18-L22 HydrophobicContact CD1-CD2 4.44Å; L18-L22 HydrophobicContact CD1-CG 3.96Å; L18-L22 HydrophobicContact CD2-CD1 4.45Å; L18-L22 HydrophobicContact CG-CD1 3.78Å; L18-L22 HydrophobicContact CG-CG 4.14Å; L18-L22 VanDerWaalsContact O-CB 3.31Å; L18-L22 WeakPolarHBondContact O-CB 3.38Å; L18-L22 WeakPolarHBondContact O-CG 3.31Å; L18-L22 PolarHBondContact O-N 2.93Å; L18-V57 HydrophobicContact CD2-CB 4.35Å; L18-V57 HydrophobicContact CD2-CG1 4.24Å; L18-V57 HydrophobicContact CD2-CG2 3.81Å; L18-I60 HydrophobicContact CB-CD1 4.34Å; L18-I60 HydrophobicContact CD2-CD1 3.91Å; L18-I60 HydrophobicContact CG-CD1 4.42Å; L18-F70 HydrophobicContact CD1-CE2 4.46Å
19E72.6Confident64.7Low75 Ų7553 Ų5335%0.3531%0.309SS..Hα-helixtrans-56.2-51.3172.2-78170.7-169.300111.3R15 L21 L22 S23 I60R15-E19 VanDerWaalsContact CG-OE1 3.26Å; R15-E19 WeakPolarHBondContact CG-OE1 3.5Å; R15-E19 IonicContact CZ-OE1 2.75Å; R15-E19 IonicContact NE-OE1 3.51Å; R15-E19 PolarHBondContact NE-OE1 3.15Å; R15-E19 WeakPolarHBondContact O-CB 3.48Å; R15-E19 WeakPolarHBondContact O-CG 3.27Å; R15-E19 PolarHBondContact O-N 3.36Å; E19-L21 VanDerWaalsContact C-N 3.31Å; E19-L21 PolarHBondContact O-N 3.3Å; E19-L22 PolarHBondContact O-N 2.91Å; E19-S23 WeakPolarHBondContact O-CB 2.96Å; E19-S23 PolarHBondContact O-N 3.18Å; E19-I60 HydrophobicContact CB-CG2 4.45Å; E19-I60 HydrophobicContact CG-CB 4.32Å; E19-I60 HydrophobicContact CG-CD1 4.35Å; E19-I60 HydrophobicContact CG-CG1 3.93Å; E19-I60 HydrophobicContact CG-CG2 3.52Å
20A74Confident64.4Low38 Ų3855.9 Ų55.931%0.31433%0.333SS..Hα-helixtrans-61.2-39.2178.100000112.2P16 R17 S23 P115P16-A20 VanDerWaalsContact O-CB 3.29Å; P16-A20 WeakPolarHBondContact O-CB 3.31Å; P16-A20 PolarHBondContact O-N 3.12Å; R17-A20 PolarHBondContact O-N 3.31Å; A20-S23 PolarHBondContact O-OG 2.69Å; A20-P115 HydrophobicContact CB-CG 4.5Å
21L73.2Confident65.1Low0 Ų055.8 Ų55.80%033%0.333CS..Hα-helixtrans-69.6-49.9178.717560.2000112.3L5 R17 L18 E19 S23 R24 I25 I93 L114 W117 V118L5-L21 HydrophobicContact CD1-CD2 3.48Å; L5-L21 VanDerWaalsContact CD1-CD2 3.48Å; L5-L21 HydrophobicContact CD2-CD2 3.67Å; L5-L21 HydrophobicContact CG-CD2 4.19Å; R17-L21 VanDerWaalsContact O-CB 3.3Å; R17-L21 WeakPolarHBondContact O-CB 3.21Å; R17-L21 PolarHBondContact O-N 3.22Å; L18-L21 PolarHBondContact O-N 3.01Å; E19-L21 VanDerWaalsContact C-N 3.31Å; E19-L21 PolarHBondContact O-N 3.3Å; L21-S23 PolarHBondContact O-N 3.21Å; L21-R24 PolarHBondContact O-N 3.02Å; L21-I25 HydrophobicContact CD1-CD1 3.77Å; L21-I25 HydrophobicContact CD1-CG1 3.92Å; L21-I25 HydrophobicContact CD2-CD1 4.16Å; L21-I25 HydrophobicContact CG-CD1 3.65Å; L21-I25 HydrophobicContact CG-CG1 4.22Å; L21-I25 PolarHBondContact O-N 3.11Å; L21-I93 HydrophobicContact CD1-CD1 4.32Å; L21-I93 HydrophobicContact CD1-CG2 4.17Å; L21-I93 HydrophobicContact CD2-CG2 4.05Å; L21-L114 HydrophobicContact CD1-CD2 4.2Å; L21-W117 HydrophobicContact CB-CH2 3.9Å; L21-W117 HydrophobicContact CB-CZ2 4.49Å; L21-W117 HydrophobicContact CD2-CH2 4.28Å; L21-V118 HydrophobicContact CD1-CB 4.46Å; L21-V118 HydrophobicContact CD1-CG1 3.57Å; L21-V118 HydrophobicContact CD1-CG2 4.06Å
22L72Confident66.4Low2 Ų255.8 Ų55.81%0.0134%0.335CS..Hα-helixtrans-60.4-36.7180-70.7174.8000111L18 E19 R24 I25 A26 I60 V61 F66 F70L18-L22 HydrophobicContact CD1-CD1 4.03Å; L18-L22 HydrophobicContact CD1-CD2 4.44Å; L18-L22 HydrophobicContact CD1-CG 3.96Å; L18-L22 HydrophobicContact CD2-CD1 4.45Å; L18-L22 HydrophobicContact CG-CD1 3.78Å; L18-L22 HydrophobicContact CG-CG 4.14Å; L18-L22 VanDerWaalsContact O-CB 3.31Å; L18-L22 WeakPolarHBondContact O-CB 3.38Å; L18-L22 WeakPolarHBondContact O-CG 3.31Å; L18-L22 PolarHBondContact O-N 2.93Å; E19-L22 PolarHBondContact O-N 2.91Å; L22-R24 PolarHBondContact O-N 2.69Å; L22-R24 VanDerWaalsContact O-N 3.12Å; L22-I25 PolarHBondContact O-N 2.66Å; L22-A26 WeakPolarHBondContact O-CB 3.38Å; L22-A26 PolarHBondContact O-N 2.62Å; L22-I60 HydrophobicContact CD1-CG2 3.75Å; L22-V61 HydrophobicContact CD1-CG2 4.12Å; L22-F66 VanDerWaalsContact C-CZ 3.43Å; L22-F66 HydrophobicContact CB-CD1 4.47Å; L22-F66 HydrophobicContact CB-CD2 4.01Å; L22-F66 HydrophobicContact CB-CE1 3.84Å; L22-F66 HydrophobicContact CB-CE2 3.35Å; L22-F66 HydrophobicContact CB-CZ 3.27Å; L22-F66 HydrophobicContact CD1-CD2 4.17Å; L22-F66 HydrophobicContact CD1-CE2 3.82Å; L22-F66 HydrophobicContact CG-CE2 4.2Å; L22-F66 WeakPolarHBondContact O-CE1 3.46Å; L22-F70 HydrophobicContact CD2-CD2 3.97Å; L22-F70 HydrophobicContact CD2-CE2 3.85Å
23S71.1Confident68.2Low74 Ų7452.5 Ų52.552%0.51731%0.311SS..Hα-helixtrans-57.2-24.3172.582.30000114.3E19 A20 L21E19-S23 WeakPolarHBondContact O-CB 2.96Å; E19-S23 PolarHBondContact O-N 3.18Å; A20-S23 PolarHBondContact O-OG 2.69Å; L21-S23 PolarHBondContact O-N 3.21Å
24R71.2Confident69.7Low140 Ų14050.5 Ų50.553%0.52830%0.299SS..Hα-helixtrans-101.6-32-179.8-63.7-162.2-176.7-164.40.4114.4L21 L22 A26 S113 L114L21-R24 PolarHBondContact O-N 3.02Å; L22-R24 PolarHBondContact O-N 2.69Å; L22-R24 VanDerWaalsContact O-N 3.12Å; R24-A26 PolarHBondContact O-N 3.46Å; R24-S113 VanDerWaalsContact CD-O 3.24Å; R24-S113 WeakPolarHBondContact CD-O 3.19Å; R24-S113 PolarHBondContact NH1-O 2.89Å; R24-L114 HydrophobicContact CB-CD2 4.12Å
25I67.9Low71Confident23 Ų2350.1 Ų50.112%0.11830%0.296CS..Hα-helixtrans-66.9-28.3174.7-61.9169.4000110.6V3 L21 L22 S27 V33 I93V3-I25 HydrophobicContact CG2-CG2 4.47Å; L21-I25 HydrophobicContact CD1-CD1 3.77Å; L21-I25 HydrophobicContact CD1-CG1 3.92Å; L21-I25 HydrophobicContact CD2-CD1 4.16Å; L21-I25 HydrophobicContact CG-CD1 3.65Å; L21-I25 HydrophobicContact CG-CG1 4.22Å; L21-I25 PolarHBondContact O-N 3.11Å; L22-I25 PolarHBondContact O-N 2.66Å; I25-S27 PolarHBondContact O-N 2.87Å; I25-V33 HydrophobicContact CG2-CG2 3.87Å; I25-I93 HydrophobicContact CD1-CD1 3.39Å; I25-I93 HydrophobicContact CG1-CD1 3.65Å
26A57.3Low72Confident44 Ų4445.8 Ų45.836%0.36428%0.28SS..  trans-70.457.9-179.900000113.7L22 R24 F66L22-A26 WeakPolarHBondContact O-CB 3.38Å; L22-A26 PolarHBondContact O-N 2.62Å; R24-A26 PolarHBondContact O-N 3.46Å; A26-F66 HydrophobicContact CB-CD1 3.71Å; A26-F66 HydrophobicContact CB-CE1 4.05Å
27S54.7Low72.8Confident77 Ų7741.6 Ų41.654%0.53825%0.253SS..  trans-57.8149.5154.6162.30000109.5I25 A29I25-S27 PolarHBondContact O-N 2.87Å; S27-A29 PolarHBondContact O-N 3.21Å; S27-A29 VanDerWaalsContact O-O 3.14Å
28P51.3Low73.1Confident130 Ų13039 Ų3984%0.84424%0.243SC*.SBendtrans-60.3-6.4-175.315.2-26.4000116.5
29A55.2Low73.2Confident67 Ų6739.4 Ų39.455%0.55425%0.247SC*.SBendtrans-80.9137.6171.300000111.3S27 C31S27-A29 PolarHBondContact O-N 3.21Å; S27-A29 VanDerWaalsContact O-O 3.14Å; A29-C31 PolarHBondContact O-N 2.87Å
30S68Low73.3Confident96 Ų9639.2 Ų39.267%0.67125%0.248SC*.  trans-58.7112.6172.552.30000110.3
31C78.5Confident73.3Confident8 Ų837.4 Ų37.45%0.05423%0.233CC..  trans-109.9147174.7-176.30000109.1M1 V3 A29 S68 N69M1-C31 CarbonylContact O-C 3.5Å; M1-C31 VanDerWaalsContact O-CA 3.31Å; M1-C31 WeakPolarHBondContact O-CA 3.43Å; M1-C31 PolarHBondContact O-SG 3.29Å; V3-C31 WeakPolarHBondContact CG2-SG 3.47Å; A29-C31 PolarHBondContact O-N 2.87Å; C31-S68 CarbonylContact O-C 3.59Å; C31-S68 WeakPolarHBondContact O-CA 3.2Å; C31-S68 WeakPolarHBondContact O-CB 3.35Å; C31-N69 PolarHBondContact O-N 2.87Å
32T84.6Confident73.5Confident24 Ų2437.5 Ų37.515%0.14723%0.234CC..EExtended strand (participates in β ladder)trans-105.7117.8166.1-53.30000108.1M1 K2 V3 Y34 N69 R71M1-T32 PolarHBondContact O-N 2.97Å; K2-T32 WeakPolarHBondContact CA-O 3.43Å; V3-T32 PolarHBondContact N-O 3.24Å; T32-Y34 HydrophobicContact CG2-CD2 4.03Å; T32-Y34 HydrophobicContact CG2-CE1 4.36Å; T32-Y34 HydrophobicContact CG2-CE2 3.29Å; T32-N69 CarbonylContact C-O 3.21Å; T32-N69 VanDerWaalsContact CA-O 3.29Å; T32-N69 WeakPolarHBondContact CA-O 3.28Å; T32-N69 HydrophobicContact CG2-CB 4.01Å; T32-R71 HydrophobicContact CG2-CG 4.2Å
33V86.6Confident73.8Confident0 Ų043.8 Ų43.80%026%0.261CS..EExtended strand (participates in β ladder)trans-98124.3176.1-1760000108.6V3 L5 I25 N69 F70 R71V3-V33 HydrophobicContact CB-CG2 4.44Å; V3-V33 CarbonylContact O-C 3.59Å; V3-V33 WeakPolarHBondContact O-CA 3.37Å; L5-V33 HydrophobicContact CB-CG1 4.25Å; I25-V33 HydrophobicContact CG2-CG2 3.87Å; V33-N69 PolarHBondContact N-O 3.43Å; V33-F70 HydrophobicContact CB-CD2 3.84Å; V33-F70 HydrophobicContact CB-CE2 4.14Å; V33-F70 HydrophobicContact CG1-CD2 3.94Å; V33-F70 HydrophobicContact CG1-CE2 3.69Å; V33-F70 CarbonylContact O-C 3.57Å; V33-F70 WeakPolarHBondContact O-CA 3.35Å; V33-R71 PolarHBondContact O-N 3.29Å
34Y87.5Confident74Confident7 Ų744.7 Ų44.73%0.02726%0.257CS..EExtended strand (participates in β ladder)trans-102.8130.5175.3-66.8-95.1000107.8K2 V3 L4 L5 T32 R71 L73 W85 T219K2-Y34 HydrophobicContact CB-CE2 4.22Å; K2-Y34 HydrophobicContact CD-CE2 4.46Å; K2-Y34 HydrophobicContact CG-CE2 4.11Å; V3-Y34 PolarHBondContact O-N 2.83Å; L4-Y34 CarbonylContact C-O 3.53Å; L4-Y34 WeakPolarHBondContact CA-O 3.42Å; L4-Y34 WeakPolarHBondContact CD1-O 2.95Å; L5-Y34 PolarHBondContact N-O 2.84Å; T32-Y34 HydrophobicContact CG2-CD2 4.03Å; T32-Y34 HydrophobicContact CG2-CE1 4.36Å; T32-Y34 HydrophobicContact CG2-CE2 3.29Å; Y34-R71 CarbonylContact C-O 3.38Å; Y34-R71 VanDerWaalsContact CA-O 3.28Å; Y34-R71 WeakPolarHBondContact CA-O 3.47Å; Y34-R71 HydrophobicContact CD1-CB 3.77Å; Y34-R71 HydrophobicContact CD1-CG 4.5Å; Y34-R71 HydrophobicContact CE1-CB 3.97Å; Y34-R71 VanDerWaalsContact CE1-CD 3.48Å; Y34-R71 HydrophobicContact CE1-CG 4.24Å; Y34-L73 HydrophobicContact CD1-CD2 4.12Å; Y34-W85 HydrophobicContact CD1-CD2 4.22Å; Y34-W85 AromaticContact CD1-CE3 3.77Å; Y34-W85 HydrophobicContact CD1-CE3 3.77Å; Y34-W85 AromaticContact CD1-CH2 3.28Å; Y34-W85 HydrophobicContact CD1-CH2 3.28Å; Y34-W85 AromaticContact CD1-CZ2 3.65Å; Y34-W85 HydrophobicContact CD1-CZ2 3.65Å; Y34-W85 AromaticContact CD1-CZ3 3.26Å; Y34-W85 HydrophobicContact CD1-CZ3 3.26Å; Y34-W85 HydrophobicContact CD2-CE3 4.42Å; Y34-W85 AromaticContact CD2-CH2 3.25Å; Y34-W85 HydrophobicContact CD2-CH2 3.25Å; Y34-W85 HydrophobicContact CD2-CZ2 4.3Å; Y34-W85 AromaticContact CD2-CZ3 3.27Å; Y34-W85 HydrophobicContact CD2-CZ3 3.27Å; Y34-W85 HydrophobicContact CE1-CD2 4.41Å; Y34-W85 AromaticContact CE1-CE2 3.81Å; Y34-W85 HydrophobicContact CE1-CE3 4.26Å; Y34-W85 AromaticContact CE1-CH2 3.04Å; Y34-W85 HydrophobicContact CE1-CH2 3.04Å; Y34-W85 AromaticContact CE1-CZ2 3.09Å; Y34-W85 HydrophobicContact CE1-CZ2 3.09Å; Y34-W85 AromaticContact CE1-CZ3 3.6Å; Y34-W85 HydrophobicContact CE1-CZ3 3.6Å; Y34-W85 AromaticContact CE2-CH2 3.08Å; Y34-W85 HydrophobicContact CE2-CH2 3.08Å; Y34-W85 AromaticContact CE2-CZ2 3.89Å; Y34-W85 HydrophobicContact CE2-CZ2 3.89Å; Y34-W85 AromaticContact CE2-CZ3 3.67Å; Y34-W85 HydrophobicContact CE2-CZ3 3.67Å; Y34-W85 AromaticContact CG-CE3 3.83Å; Y34-W85 HydrophobicContact CG-CE3 3.83Å; Y34-W85 AromaticContact CG-CH2 3.34Å; Y34-W85 HydrophobicContact CG-CH2 3.34Å; Y34-W85 HydrophobicContact CG-CZ2 4.19Å; Y34-W85 AromaticContact CG-CZ3 3.04Å; Y34-W85 HydrophobicContact CG-CZ3 3.04Å; Y34-W85 AromaticContact CZ-CH2 2.95Å; Y34-W85 AromaticContact CZ-CZ2 3.24Å; Y34-W85 AromaticContact CZ-CZ3 3.81Å; Y34-W85 WeakPolarHBondContact OH-CZ2 3.34Å; Y34-T219 HydrophobicContact CD1-CG2 4.34Å; Y34-T219 HydrophobicContact CE1-CG2 3.38Å
35L88.6Confident74.2Confident0 Ų038.7 Ų38.70%023%0.234CC..EExtended strand (participates in β ladder)trans-106.3128.5173.8-174.5151.9000109.1L5 L7 V37 F53 V57 F70 R71 I72 L73L5-L35 HydrophobicContact CD2-CD1 4.07Å; L5-L35 WeakPolarHBondContact O-CA 3.3Å; L7-L35 HydrophobicContact CD1-CD1 3.9Å; L7-L35 HydrophobicContact CD1-CD2 4.24Å; L7-L35 HydrophobicContact CD1-CG 4.3Å; L7-L35 HydrophobicContact CG-CD1 4.32Å; L7-L35 HydrophobicContact CG-CG 4.39Å; L35-V37 HydrophobicContact CD2-CG2 3.78Å; L35-F53 HydrophobicContact CD1-CE1 4.45Å; L35-F53 HydrophobicContact CD1-CZ 3.75Å; L35-F53 HydrophobicContact CD2-CE1 3.57Å; L35-F53 HydrophobicContact CD2-CZ 3.4Å; L35-F53 HydrophobicContact CG-CZ 4.24Å; L35-V57 HydrophobicContact CD1-CG2 4.39Å; L35-F70 HydrophobicContact CB-CE1 3.62Å; L35-F70 HydrophobicContact CB-CZ 3.48Å; L35-F70 VanDerWaalsContact CB-CZ 3.48Å; L35-F70 HydrophobicContact CD1-CE1 4.11Å; L35-F70 HydrophobicContact CD1-CZ 3.58Å; L35-F70 HydrophobicContact CG-CE1 4.49Å; L35-F70 HydrophobicContact CG-CZ 4.17Å; L35-R71 PolarHBondContact N-O 3.26Å; L35-I72 HydrophobicContact CD2-CG2 4.29Å; L35-L73 PolarHBondContact O-N 3.38Å
36Q85.8Confident74.5Confident8 Ų840.6 Ų40.64%0.03725%0.245CC..EExtended strand (participates in β ladder)trans-127.5135.6173.5-176.2176-13.600108.6L4 L5 Y6 L7 L73 S76 D82L4-Q36 HydrophobicContact CD1-CB 3.79Å; L5-Q36 PolarHBondContact O-N 3.49Å; Y6-Q36 WeakPolarHBondContact CA-O 3.48Å; Y6-Q36 HydrophobicContact CD2-CB 3.86Å; Y6-Q36 HydrophobicContact CD2-CG 3.82Å; Y6-Q36 HydrophobicContact CE2-CB 4.28Å; Y6-Q36 HydrophobicContact CE2-CG 3.71Å; L7-Q36 PolarHBondContact N-O 3.43Å; Q36-L73 HydrophobicContact CB-CD1 4.09Å; Q36-L73 HydrophobicContact CG-CD1 4.33Å; Q36-S76 VanDerWaalsContact CG-CB 3.48Å; Q36-D82 PolarHBondContact NE2-OD1 3.03Å
37V82.6Confident75.4Confident0 Ų039 Ų390%023%0.23CC..EExtended strand (participates in β ladder)trans-100.3130.6175.8-179.70000108.3L7 L35 S39 V41 A42 W45 F53 S76 L77L7-V37 HydrophobicContact CB-CG2 4.49Å; L7-V37 HydrophobicContact CD1-CG2 4.38Å; L35-V37 HydrophobicContact CD2-CG2 3.78Å; V37-S39 PolarHBondContact O-N 3.31Å; V37-V41 HydrophobicContact CG1-CB 3.72Å; V37-V41 HydrophobicContact CG1-CG1 3.63Å; V37-A42 HydrophobicContact CG1-CB 4.14Å; V37-W45 HydrophobicContact CG1-CH2 4.11Å; V37-W45 HydrophobicContact CG1-CZ2 4.28Å; V37-W45 HydrophobicContact CG2-CH2 4.01Å; V37-W45 HydrophobicContact CG2-CZ3 4.29Å; V37-F53 HydrophobicContact CG2-CE1 4.11Å; V37-F53 HydrophobicContact CG2-CZ 4Å; V37-S76 PolarHBondContact N-OG 3.49Å; V37-S76 WeakPolarHBondContact O-CB 3.4Å; V37-L77 HydrophobicContact CB-CD2 3.96Å; V37-L77 HydrophobicContact CG2-CD2 3.48Å; V37-L77 VanDerWaalsContact CG2-CD2 3.48Å
38H79.5Confident76.4Confident1 Ų135.6 Ų35.61%0.00521%0.207CC..  trans-54.6135.7176.5-176.7-86.2000110.7Y6 L7 T8 D40 V41 A42 S131Y6-H38 HydrophobicContact CE1-CB 4.21Å; Y6-H38 AromaticContact CE1-CD2 3.74Å; Y6-H38 AromaticContact CZ-CD2 3.74Å; Y6-H38 PolarHBondContact OH-CD2 2.82Å; L7-H38 VanDerWaalsContact O-CB 3.3Å; L7-H38 WeakPolarHBondContact O-CB 3.25Å; L7-H38 PolarHBondContact O-N 2.79Å; T8-H38 HydrophobicContact CG2-CB 4.39Å; H38-D40 VanDerWaalsContact C-N 3.26Å; H38-D40 IonicContact CE1-OD2 3.85Å; H38-D40 PolarHBondContact CE1-OD2 3.33Å; H38-D40 PolarHBondContact ND1-N 3Å; H38-D40 VanDerWaalsContact ND1-N 3.18Å; H38-D40 PolarHBondContact O-N 2.97Å; H38-D40 VanDerWaalsContact O-N 3.14Å; H38-V41 HydrophobicContact CB-CG2 4.16Å; H38-V41 WeakPolarHBondContact O-CA 3.46Å; H38-V41 WeakPolarHBondContact O-CB 3.5Å; H38-V41 PolarHBondContact O-N 3.36Å; H38-A42 PolarHBondContact O-N 3.08Å; H38-S131 PolarHBondContact CE1-O 2.88Å; H38-S131 VanDerWaalsContact NE2-C 3.31Å; H38-S131 VanDerWaalsContact NE2-CA 3.27Å; H38-S131 WeakPolarHBondContact NE2-CA 3.25Å; H38-S131 PolarHBondContact NE2-O 3.45Å
39S74.7Confident77.6Confident14 Ų1432 Ų3210%0.09818%0.177CC..Hα-helixtrans-54.6-38.2-172.653.80000113.6V37 V41 A42 K43 D82V37-S39 PolarHBondContact O-N 3.31Å; S39-V41 VanDerWaalsContact C-N 3.32Å; S39-V41 PolarHBondContact O-N 2.87Å; S39-A42 PolarHBondContact O-N 3.32Å; S39-K43 VanDerWaalsContact O-CG 3.26Å; S39-K43 WeakPolarHBondContact O-CG 3.35Å; S39-K43 PolarHBondContact O-N 3.15Å; S39-D82 WeakPolarHBondContact CB-OD2 3.44Å; S39-D82 PolarHBondContact OG-OD2 3.4Å
40D74Confident78.8Confident70 Ų7029 Ų2937%0.37415%0.152SC..Hα-helixtrans-72.2-21176.9-66.2-25.2000114.6H38 K43 Q44H38-D40 VanDerWaalsContact C-N 3.26Å; H38-D40 IonicContact CE1-OD2 3.85Å; H38-D40 PolarHBondContact CE1-OD2 3.33Å; H38-D40 PolarHBondContact ND1-N 3Å; H38-D40 VanDerWaalsContact ND1-N 3.18Å; H38-D40 PolarHBondContact O-N 2.97Å; H38-D40 VanDerWaalsContact O-N 3.14Å; D40-K43 IonicContact OD1-NZ 3.26Å; D40-K43 PolarHBondContact OD1-NZ 3.34Å; D40-Q44 PolarHBondContact O-NE2 3.48Å
41V75.3Confident79.5Confident0 Ų025.4 Ų25.40%012%0.124CC..Hα-helixtrans-76-46.4169.9176.70000109.2T8 L10 V37 H38 S39 Q44 W45 V135T8-V41 WeakPolarHBondContact O-CG2 3.18Å; L10-V41 HydrophobicContact CD2-CG1 3.89Å; L10-V41 HydrophobicContact CG-CG1 4.37Å; V37-V41 HydrophobicContact CG1-CB 3.72Å; V37-V41 HydrophobicContact CG1-CG1 3.63Å; H38-V41 HydrophobicContact CB-CG2 4.16Å; H38-V41 WeakPolarHBondContact O-CA 3.46Å; H38-V41 WeakPolarHBondContact O-CB 3.5Å; H38-V41 PolarHBondContact O-N 3.36Å; S39-V41 VanDerWaalsContact C-N 3.32Å; S39-V41 PolarHBondContact O-N 2.87Å; V41-Q44 WeakPolarHBondContact O-CB 3.4Å; V41-Q44 PolarHBondContact O-N 3.48Å; V41-W45 HydrophobicContact CG1-CZ2 3.83Å; V41-W45 VanDerWaalsContact O-CD1 3.28Å; V41-W45 PolarHBondContact O-NE1 2.96Å; V41-V135 HydrophobicContact CG2-CG2 4.48Å
42A77.8Confident79.6Confident2 Ų226.2 Ų26.22%0.01713%0.127CC..Hα-helixtrans-67.4-35.5-177.400000113.6V37 H38 S39 Q44 W45 S76V37-A42 HydrophobicContact CG1-CB 4.14Å; H38-A42 PolarHBondContact O-N 3.08Å; S39-A42 PolarHBondContact O-N 3.32Å; A42-Q44 PolarHBondContact O-N 2.98Å; A42-W45 WeakPolarHBondContact O-CB 3.42Å; A42-W45 PolarHBondContact O-N 3.04Å; A42-S76 WeakPolarHBondContact CB-O 3.36Å
43K76.7Confident79.5Confident134 Ų13425 Ų2558%0.58312%0.12SC*.THydrogen-bonded Turntrans-58.2-18.9174.4-75.8170.1-162.7158.90113.8S39 D40 W45S39-K43 VanDerWaalsContact O-CG 3.26Å; S39-K43 WeakPolarHBondContact O-CG 3.35Å; S39-K43 PolarHBondContact O-N 3.15Å; D40-K43 IonicContact OD1-NZ 3.26Å; D40-K43 PolarHBondContact OD1-NZ 3.34Å; K43-W45 VanDerWaalsContact C-N 3.34Å
44Q75.2Confident79.5Confident94 Ų9425 Ų2544%0.43912%0.12SC..THydrogen-bonded Turntrans-90.1-0.5177.5-59.11744100112.8D40 V41 A42 V135D40-Q44 PolarHBondContact O-NE2 3.48Å; V41-Q44 WeakPolarHBondContact O-CB 3.4Å; V41-Q44 PolarHBondContact O-N 3.48Å; A42-Q44 PolarHBondContact O-N 2.98Å; Q44-V135 VanDerWaalsContact NE2-CG1 3.32Å
45W75.5Confident79.3Confident14 Ų1428.2 Ų28.25%0.05313%0.132CC..  trans-102.4133.5-178.1-6411.1000109Q11 V37 V41 A42 K43 R49 A50 F53 L77Q11-W45 HydrophobicContact CB-CZ2 4.37Å; Q11-W45 HydrophobicContact CG-CH2 4.46Å; Q11-W45 HydrophobicContact CG-CZ2 4.24Å; V37-W45 HydrophobicContact CG1-CH2 4.11Å; V37-W45 HydrophobicContact CG1-CZ2 4.28Å; V37-W45 HydrophobicContact CG2-CH2 4.01Å; V37-W45 HydrophobicContact CG2-CZ3 4.29Å; V41-W45 HydrophobicContact CG1-CZ2 3.83Å; V41-W45 VanDerWaalsContact O-CD1 3.28Å; V41-W45 PolarHBondContact O-NE1 2.96Å; A42-W45 WeakPolarHBondContact O-CB 3.42Å; A42-W45 PolarHBondContact O-N 3.04Å; K43-W45 VanDerWaalsContact C-N 3.34Å; W45-R49 HydrophobicContact CB-CB 4Å; W45-R49 HydrophobicContact CB-CG 4.26Å; W45-R49 VanDerWaalsContact CD1-CD 3.48Å; W45-R49 HydrophobicContact CD2-CG 4.02Å; W45-R49 HydrophobicContact CG-CB 4.15Å; W45-R49 HydrophobicContact CG-CG 3.85Å; W45-A50 HydrophobicContact CE3-CB 4.47Å; W45-F53 HydrophobicContact CE3-CB 4.36Å; W45-F53 HydrophobicContact CH2-CB 4.02Å; W45-F53 HydrophobicContact CH2-CD1 4.08Å; W45-F53 AromaticContact CH2-CD2 3.38Å; W45-F53 HydrophobicContact CH2-CD2 3.38Å; W45-F53 HydrophobicContact CH2-CE1 4.44Å; W45-F53 AromaticContact CH2-CE2 3.82Å; W45-F53 HydrophobicContact CH2-CE2 3.82Å; W45-F53 AromaticContact CH2-CG 3.55Å; W45-F53 HydrophobicContact CH2-CG 3.55Å; W45-F53 HydrophobicContact CH2-CZ 4.33Å; W45-F53 HydrophobicContact CZ2-CD2 4.39Å; W45-F53 HydrophobicContact CZ3-CB 3.6Å; W45-F53 AromaticContact CZ3-CD1 3.72Å; W45-F53 HydrophobicContact CZ3-CD1 3.72Å; W45-F53 AromaticContact CZ3-CD2 3.8Å; W45-F53 HydrophobicContact CZ3-CD2 3.8Å; W45-F53 HydrophobicContact CZ3-CE1 4.36Å; W45-F53 HydrophobicContact CZ3-CE2 4.43Å; W45-F53 AromaticContact CZ3-CG 3.41Å; W45-F53 HydrophobicContact CZ3-CG 3.41Å; W45-F53 VanDerWaalsContact CZ3-CG 3.41Å; W45-L77 HydrophobicContact CE3-CD2 4.02Å; W45-L77 HydrophobicContact CH2-CD2 4.37Å; W45-L77 HydrophobicContact CZ3-CD2 3.48Å; W45-L77 VanDerWaalsContact CZ3-CD2 3.48Å
46N75Confident79Confident63 Ų6329.7 Ų29.734%0.33714%0.14SC..  trans-80.3171.3158.953.720.2000109G48 R49 A50 A147N46-G48 PolarHBondContact O-N 2.76Å; N46-G48 VanDerWaalsContact OD1-CA 3.27Å; N46-G48 WeakPolarHBondContact OD1-CA 3.25Å; N46-G48 PolarHBondContact OD1-N 2.9Å; N46-R49 PolarHBondContact O-N 3.48Å; N46-R49 WeakPolarHBondContact OD1-CB 3.4Å; N46-R49 PolarHBondContact OD1-N 2.82Å; N46-A50 PolarHBondContact O-N 2.94Å; N46-A50 VanDerWaalsContact O-N 3.13Å; N46-A147 WeakPolarHBondContact ND2-CB 3.3Å; N46-A147 PolarHBondContact ND2-O 3.45Å
47L75.5Confident78.9Confident9 Ų929.3 Ų29.35%0.04714%0.138CC..Hα-helixtrans-55.5-37.8175.4-16669.6000110.6R49 A50 F51 W146 L153 L179L47-R49 VanDerWaalsContact C-N 3.29Å; L47-R49 PolarHBondContact O-N 2.87Å; L47-A50 WeakPolarHBondContact O-CA 3.47Å; L47-A50 WeakPolarHBondContact O-CB 3.37Å; L47-A50 PolarHBondContact O-N 3.43Å; L47-F51 HydrophobicContact CD1-CD1 4.08Å; L47-F51 HydrophobicContact CD1-CE1 3.54Å; L47-F51 HydrophobicContact CD1-CZ 4.14Å; L47-F51 HydrophobicContact CD2-CE1 3.89Å; L47-F51 HydrophobicContact CD2-CE2 4.17Å; L47-F51 HydrophobicContact CD2-CZ 3.61Å; L47-F51 HydrophobicContact CG-CD1 4.09Å; L47-F51 HydrophobicContact CG-CE1 3.66Å; L47-F51 HydrophobicContact CG-CE2 4.41Å; L47-F51 HydrophobicContact CG-CZ 3.87Å; L47-F51 PolarHBondContact O-N 3.13Å; L47-W146 VanDerWaalsContact C-CH2 3.45Å; L47-W146 HydrophobicContact CB-CZ3 4.26Å; L47-W146 HydrophobicContact CG-CZ3 4.12Å; L47-W146 WeakPolarHBondContact O-CH2 3.43Å; L47-W146 WeakPolarHBondContact O-CZ3 3.48Å; L47-L153 HydrophobicContact CB-CD1 4.23Å; L47-L153 HydrophobicContact CD2-CD1 3.13Å; L47-L153 HydrophobicContact CG-CD1 4.25Å; L47-L179 HydrophobicContact CD1-CB 4.08Å
48G75.6Confident79.1Confident6 Ų629.3 Ų29.36%0.06214%0.138CC..Hα-helixtrans-31.3-60.7165.300000114.2N46 Q52 W146N46-G48 PolarHBondContact O-N 2.76Å; N46-G48 VanDerWaalsContact OD1-CA 3.27Å; N46-G48 WeakPolarHBondContact OD1-CA 3.25Å; N46-G48 PolarHBondContact OD1-N 2.9Å; G48-Q52 PolarHBondContact O-N 3.44Å; G48-W146 VanDerWaalsContact CA-CE3 3.41Å; G48-W146 WeakPolarHBondContact O-CH2 3.23Å; G48-W146 WeakPolarHBondContact O-CZ2 3.44Å
49R77.2Confident79.1Confident56 Ų5631.6 Ų31.621%0.21115%0.149CC..Hα-helixtrans-77.6-32.6-175.1-170167.8-178.2-175.62.3111.5W45 N46 L47 Q52 F53W45-R49 HydrophobicContact CB-CB 4Å; W45-R49 HydrophobicContact CB-CG 4.26Å; W45-R49 VanDerWaalsContact CD1-CD 3.48Å; W45-R49 HydrophobicContact CD2-CG 4.02Å; W45-R49 HydrophobicContact CG-CB 4.15Å; W45-R49 HydrophobicContact CG-CG 3.85Å; N46-R49 PolarHBondContact O-N 3.48Å; N46-R49 WeakPolarHBondContact OD1-CB 3.4Å; N46-R49 PolarHBondContact OD1-N 2.82Å; L47-R49 VanDerWaalsContact C-N 3.29Å; L47-R49 PolarHBondContact O-N 2.87Å; R49-Q52 PolarHBondContact O-N 3.35Å; R49-F53 WeakPolarHBondContact O-CB 3.31Å; R49-F53 PolarHBondContact O-N 3.1Å
50A80.6Confident79.3Confident4 Ų431.1 Ų31.13%0.03315%0.145CC..Hα-helixtrans-64-46177.500000112.5W45 N46 L47 F53 V54 L179W45-A50 HydrophobicContact CE3-CB 4.47Å; N46-A50 PolarHBondContact O-N 2.94Å; N46-A50 VanDerWaalsContact O-N 3.13Å; L47-A50 WeakPolarHBondContact O-CA 3.47Å; L47-A50 WeakPolarHBondContact O-CB 3.37Å; L47-A50 PolarHBondContact O-N 3.43Å; A50-F53 PolarHBondContact O-N 2.61Å; A50-V54 WeakPolarHBondContact O-CG2 3.37Å; A50-V54 PolarHBondContact O-N 3.45Å; A50-L179 HydrophobicContact CB-CD1 4.44Å
51F83.4Confident79.5Confident19 Ų1928.7 Ų28.78%0.08313%0.133CC..Hα-helixtrans-70.3-36.1177.5-53.6-18.2000112.3L47 F53 V54 R55 W146 C176 L179 A180 L275L47-F51 HydrophobicContact CD1-CD1 4.08Å; L47-F51 HydrophobicContact CD1-CE1 3.54Å; L47-F51 HydrophobicContact CD1-CZ 4.14Å; L47-F51 HydrophobicContact CD2-CE1 3.89Å; L47-F51 HydrophobicContact CD2-CE2 4.17Å; L47-F51 HydrophobicContact CD2-CZ 3.61Å; L47-F51 HydrophobicContact CG-CD1 4.09Å; L47-F51 HydrophobicContact CG-CE1 3.66Å; L47-F51 HydrophobicContact CG-CE2 4.41Å; L47-F51 HydrophobicContact CG-CZ 3.87Å; L47-F51 PolarHBondContact O-N 3.13Å; F51-F53 VanDerWaalsContact C-N 3.28Å; F51-F53 PolarHBondContact O-N 3.28Å; F51-V54 PolarHBondContact O-N 2.94Å; F51-R55 WeakPolarHBondContact O-CB 3.32Å; F51-R55 PolarHBondContact O-N 3.4Å; F51-W146 HydrophobicContact CB-CH2 3.25Å; F51-W146 HydrophobicContact CB-CZ2 3.88Å; F51-W146 HydrophobicContact CB-CZ3 4.08Å; F51-W146 HydrophobicContact CD1-CH2 4.36Å; F51-W146 HydrophobicContact CD1-CZ3 4.47Å; F51-W146 HydrophobicContact CD2-CE3 4.25Å; F51-W146 AromaticContact CD2-CH2 3.4Å; F51-W146 HydrophobicContact CD2-CH2 3.4Å; F51-W146 HydrophobicContact CD2-CZ2 4.26Å; F51-W146 AromaticContact CD2-CZ3 3.36Å; F51-W146 HydrophobicContact CD2-CZ3 3.36Å; F51-W146 HydrophobicContact CE2-CH2 4.42Å; F51-W146 AromaticContact CE2-CZ3 3.98Å; F51-W146 HydrophobicContact CE2-CZ3 3.98Å; F51-W146 AromaticContact CG-CH2 3.37Å; F51-W146 HydrophobicContact CG-CH2 3.37Å; F51-W146 HydrophobicContact CG-CZ2 4.36Å; F51-W146 AromaticContact CG-CZ3 3.68Å; F51-W146 HydrophobicContact CG-CZ3 3.68Å; F51-C176 HydrophobicContact CD1-CB 4.18Å; F51-C176 HydrophobicContact CE1-CB 4Å; F51-C176 HydrophobicContact CZ-CB 4.18Å; F51-L179 HydrophobicContact CD1-CB 4.48Å; F51-L179 HydrophobicContact CD1-CD1 4.12Å; F51-L179 HydrophobicContact CE1-CB 3.84Å; F51-L179 HydrophobicContact CE1-CD1 4.28Å; F51-A180 HydrophobicContact CZ-CB 4.13Å; F51-L275 HydrophobicContact CE2-CD1 4.45Å; F51-L275 HydrophobicContact CE2-CD2 4.09Å; F51-L275 HydrophobicContact CZ-CD2 4.15Å
52Q80Confident79.5Confident25 Ų2529.8 Ų29.812%0.11714%0.144CC..Hα-helixtrans-60.4-44.5174.8-174.665.739.400110.5G48 R49 V54 R55 D56 L142G48-Q52 PolarHBondContact O-N 3.44Å; R49-Q52 PolarHBondContact O-N 3.35Å; Q52-V54 PolarHBondContact O-N 2.96Å; Q52-R55 WeakPolarHBondContact O-CB 3.46Å; Q52-R55 PolarHBondContact O-N 3.19Å; Q52-D56 PolarHBondContact NE2-OD1 3.42Å; Q52-D56 WeakPolarHBondContact O-CB 3.39Å; Q52-D56 PolarHBondContact O-N 3.19Å; Q52-L142 HydrophobicContact CB-CD1 4.38Å; Q52-L142 HydrophobicContact CG-CD1 3.72Å; Q52-L142 HydrophobicContact CG-CD2 3.93Å; Q52-L142 HydrophobicContact CG-CG 4.44Å
53F82.4Confident79.2Confident0 Ų033.7 Ų33.70%017%0.171CC..Hα-helixtrans-58-47.8174.3173.1-92.6000111.9L7 Q11 V14 L35 V37 W45 R49 A50 F51 R55 D56 V57 I72 L77L7-F53 HydrophobicContact CD1-CE2 3.73Å; L7-F53 HydrophobicContact CD1-CZ 3.74Å; Q11-F53 HydrophobicContact CG-CD2 3.85Å; Q11-F53 HydrophobicContact CG-CE2 4.42Å; Q11-F53 VanDerWaalsContact NE2-CD2 3.31Å; V14-F53 HydrophobicContact CG1-CE2 4.08Å; L35-F53 HydrophobicContact CD1-CE1 4.45Å; L35-F53 HydrophobicContact CD1-CZ 3.75Å; L35-F53 HydrophobicContact CD2-CE1 3.57Å; L35-F53 HydrophobicContact CD2-CZ 3.4Å; L35-F53 HydrophobicContact CG-CZ 4.24Å; V37-F53 HydrophobicContact CG2-CE1 4.11Å; V37-F53 HydrophobicContact CG2-CZ 4Å; W45-F53 HydrophobicContact CE3-CB 4.36Å; W45-F53 HydrophobicContact CH2-CB 4.02Å; W45-F53 HydrophobicContact CH2-CD1 4.08Å; W45-F53 AromaticContact CH2-CD2 3.38Å; W45-F53 HydrophobicContact CH2-CD2 3.38Å; W45-F53 HydrophobicContact CH2-CE1 4.44Å; W45-F53 AromaticContact CH2-CE2 3.82Å; W45-F53 HydrophobicContact CH2-CE2 3.82Å; W45-F53 AromaticContact CH2-CG 3.55Å; W45-F53 HydrophobicContact CH2-CG 3.55Å; W45-F53 HydrophobicContact CH2-CZ 4.33Å; W45-F53 HydrophobicContact CZ2-CD2 4.39Å; W45-F53 HydrophobicContact CZ3-CB 3.6Å; W45-F53 AromaticContact CZ3-CD1 3.72Å; W45-F53 HydrophobicContact CZ3-CD1 3.72Å; W45-F53 AromaticContact CZ3-CD2 3.8Å; W45-F53 HydrophobicContact CZ3-CD2 3.8Å; W45-F53 HydrophobicContact CZ3-CE1 4.36Å; W45-F53 HydrophobicContact CZ3-CE2 4.43Å; W45-F53 AromaticContact CZ3-CG 3.41Å; W45-F53 HydrophobicContact CZ3-CG 3.41Å; W45-F53 VanDerWaalsContact CZ3-CG 3.41Å; R49-F53 WeakPolarHBondContact O-CB 3.31Å; R49-F53 PolarHBondContact O-N 3.1Å; A50-F53 PolarHBondContact O-N 2.61Å; F51-F53 VanDerWaalsContact C-N 3.28Å; F51-F53 PolarHBondContact O-N 3.28Å; F53-R55 VanDerWaalsContact C-N 3.31Å; F53-R55 PolarHBondContact O-N 3.37Å; F53-D56 PolarHBondContact O-N 3.21Å; F53-V57 HydrophobicContact CD1-CG2 4.28Å; F53-V57 HydrophobicContact CD2-CG2 4.35Å; F53-V57 HydrophobicContact CE1-CG2 3.87Å; F53-V57 HydrophobicContact CE2-CG2 3.96Å; F53-V57 HydrophobicContact CZ-CG2 3.67Å; F53-V57 WeakPolarHBondContact O-CB 3.38Å; F53-V57 WeakPolarHBondContact O-CG2 3.45Å; F53-V57 PolarHBondContact O-N 2.89Å; F53-I72 HydrophobicContact CE1-CG2 4.35Å; F53-L77 HydrophobicContact CD1-CD1 4.31Å; F53-L77 HydrophobicContact CD1-CD2 4.02Å; F53-L77 HydrophobicContact CE1-CD2 4.11Å
54V87.5Confident78.5Confident0 Ų028.9 Ų28.90%015%0.154CC..Hα-helixtrans-58.5-44.1176.6169.40000111.2A50 F51 Q52 V57 Y58 I72 L77 M172 T175 L179A50-V54 WeakPolarHBondContact O-CG2 3.37Å; A50-V54 PolarHBondContact O-N 3.45Å; F51-V54 PolarHBondContact O-N 2.94Å; Q52-V54 PolarHBondContact O-N 2.96Å; V54-V57 PolarHBondContact O-N 3.36Å; V54-Y58 HydrophobicContact CG1-CD2 3.63Å; V54-Y58 HydrophobicContact CG1-CE2 3.73Å; V54-Y58 VanDerWaalsContact O-CD2 3.28Å; V54-Y58 WeakPolarHBondContact O-CD2 3.46Å; V54-Y58 PolarHBondContact O-N 3.46Å; V54-I72 HydrophobicContact CB-CD1 4.23Å; V54-I72 HydrophobicContact CG1-CD1 4.13Å; V54-I72 HydrophobicContact CG2-CD1 4Å; V54-L77 HydrophobicContact CG2-CD1 3.76Å; V54-M172 HydrophobicContact CG1-CG 4.2Å; V54-T175 HydrophobicContact CG1-CG2 3.89Å; V54-T175 HydrophobicContact CG2-CG2 3.92Å; V54-L179 HydrophobicContact CG2-CD1 3.73Å
55R82.7Confident77.8Confident74 Ų7432.6 Ų32.628%0.27918%0.177SC..Hα-helixtrans-60.9-52.8177.1-172.8-179.794.7168.93.4111.2F51 Q52 F53 V57 Y58 E59 M172 D278 L280F51-R55 WeakPolarHBondContact O-CB 3.32Å; F51-R55 PolarHBondContact O-N 3.4Å; Q52-R55 WeakPolarHBondContact O-CB 3.46Å; Q52-R55 PolarHBondContact O-N 3.19Å; F53-R55 VanDerWaalsContact C-N 3.31Å; F53-R55 PolarHBondContact O-N 3.37Å; R55-V57 VanDerWaalsContact C-N 3.26Å; R55-V57 PolarHBondContact O-N 2.96Å; R55-Y58 PolarHBondContact O-N 2.87Å; R55-E59 WeakPolarHBondContact O-CB 3.43Å; R55-E59 PolarHBondContact O-N 2.92Å; R55-M172 HydrophobicContact CB-CE 3.68Å; R55-M172 HydrophobicContact CB-SD 4.49Å; R55-M172 HydrophobicContact CG-CE 3.63Å; R55-M172 HydrophobicContact CG-SD 4.31Å; R55-D278 IonicContact NH1-OD2 3.62Å; R55-D278 PolarHBondContact NH1-OD2 2.96Å; R55-L280 HydrophobicContact CG-CD2 3.68Å; R55-L280 HydrophobicContact CG-CG 4.32Å
56D81.6Confident77.2Confident31 Ų3134.1 Ų34.117%0.16618%0.184CC..Hα-helixtrans-57.7-42.7-178.7-66.9-18.7000110.9Q52 F53 E59 I60Q52-D56 PolarHBondContact NE2-OD1 3.42Å; Q52-D56 WeakPolarHBondContact O-CB 3.39Å; Q52-D56 PolarHBondContact O-N 3.19Å; F53-D56 PolarHBondContact O-N 3.21Å; D56-E59 PolarHBondContact O-N 3.11Å; D56-I60 VanDerWaalsContact O-CD1 3.25Å; D56-I60 WeakPolarHBondContact O-CD1 3.48Å; D56-I60 WeakPolarHBondContact O-CG1 3.3Å; D56-I60 PolarHBondContact O-N 3.38Å
57V84.2Confident76.6Confident0 Ų039.6 Ų39.60%021%0.205CC..Hα-helixtrans-63.8-49.4178.1170.40000111.3L18 L35 F53 V54 R55 E59 I60 V61 F70 I72L18-V57 HydrophobicContact CD2-CB 4.35Å; L18-V57 HydrophobicContact CD2-CG1 4.24Å; L18-V57 HydrophobicContact CD2-CG2 3.81Å; L35-V57 HydrophobicContact CD1-CG2 4.39Å; F53-V57 HydrophobicContact CD1-CG2 4.28Å; F53-V57 HydrophobicContact CD2-CG2 4.35Å; F53-V57 HydrophobicContact CE1-CG2 3.87Å; F53-V57 HydrophobicContact CE2-CG2 3.96Å; F53-V57 HydrophobicContact CZ-CG2 3.67Å; F53-V57 WeakPolarHBondContact O-CB 3.38Å; F53-V57 WeakPolarHBondContact O-CG2 3.45Å; F53-V57 PolarHBondContact O-N 2.89Å; V54-V57 PolarHBondContact O-N 3.36Å; R55-V57 VanDerWaalsContact C-N 3.26Å; R55-V57 PolarHBondContact O-N 2.96Å; V57-E59 VanDerWaalsContact C-N 3.31Å; V57-E59 PolarHBondContact O-N 3.23Å; V57-I60 PolarHBondContact O-N 3.12Å; V57-V61 VanDerWaalsContact O-CG2 3.29Å; V57-V61 WeakPolarHBondContact O-CG2 3.44Å; V57-V61 PolarHBondContact O-N 3.28Å; V57-F70 HydrophobicContact CG1-CD1 3.72Å; V57-F70 HydrophobicContact CG1-CE1 3.15Å; V57-F70 HydrophobicContact CG1-CZ 3.68Å; V57-I72 HydrophobicContact CB-CD1 3.94Å; V57-I72 HydrophobicContact CG1-CD1 3.69Å; V57-I72 HydrophobicContact CG1-CG1 4.08Å; V57-I72 HydrophobicContact CG2-CD1 4.5Å
58Y85.8Confident76.4Confident0 Ų039.9 Ų39.90%021%0.208CC..Hα-helixtrans-71.1-25.3178.8-77.8-59.4000112.9V54 R55 V61 G62 I72 V168 E171 M172 T175 L280V54-Y58 HydrophobicContact CG1-CD2 3.63Å; V54-Y58 HydrophobicContact CG1-CE2 3.73Å; V54-Y58 VanDerWaalsContact O-CD2 3.28Å; V54-Y58 WeakPolarHBondContact O-CD2 3.46Å; V54-Y58 PolarHBondContact O-N 3.46Å; R55-Y58 PolarHBondContact O-N 2.87Å; Y58-V61 PolarHBondContact O-N 2.94Å; Y58-G62 PolarHBondContact O-N 2.99Å; Y58-I72 HydrophobicContact CD2-CD1 4.08Å; Y58-I72 HydrophobicContact CE2-CD1 3.71Å; Y58-I72 HydrophobicContact CE2-CG1 4.46Å; Y58-V168 HydrophobicContact CD1-CG2 3.72Å; Y58-V168 HydrophobicContact CG-CG2 4.1Å; Y58-V168 WeakPolarHBondContact O-CG2 3.38Å; Y58-E171 HydrophobicContact CE1-CB 3.81Å; Y58-M172 HydrophobicContact CD2-CB 3.57Å; Y58-M172 HydrophobicContact CD2-CG 3.99Å; Y58-M172 HydrophobicContact CE2-CB 4.09Å; Y58-M172 HydrophobicContact CG-CB 4.04Å; Y58-T175 HydrophobicContact CE2-CG2 4.41Å; Y58-T175 PolarHBondContact OH-OG1 3.34Å; Y58-L280 VanDerWaalsContact C-CD1 3.44Å
59E80.2Confident76.5Confident49 Ų4943.4 Ų43.423%0.22923%0.226CC..Hα-helixtrans-64.8-45.9170.9-169.3-175.6148.900110.5R15 R55 D56 V57 G62 S63 L280R15-E59 IonicContact CZ-OE1 2.76Å; R15-E59 IonicContact NH1-OE1 3.42Å; R15-E59 PolarHBondContact NH1-OE1 3.21Å; R15-E59 VanDerWaalsContact NH1-OE1 3.09Å; R15-E59 IonicContact NH1-OE2 2.74Å; R15-E59 IonicContact NH2-OE1 3.39Å; R15-E59 PolarHBondContact NH2-OE1 3.42Å; R55-E59 WeakPolarHBondContact O-CB 3.43Å; R55-E59 PolarHBondContact O-N 2.92Å; D56-E59 PolarHBondContact O-N 3.11Å; V57-E59 VanDerWaalsContact C-N 3.31Å; V57-E59 PolarHBondContact O-N 3.23Å; E59-G62 PolarHBondContact O-N 3.15Å; E59-S63 WeakPolarHBondContact O-CB 3.37Å; E59-S63 PolarHBondContact O-N 3.27Å; E59-S63 PolarHBondContact O-OG 2.88Å; E59-L280 HydrophobicContact CB-CD1 4.02Å; E59-L280 HydrophobicContact CB-CD2 3.68Å; E59-L280 HydrophobicContact CB-CG 4.5Å; E59-L280 HydrophobicContact CG-CD2 3.88Å; E59-L280 VanDerWaalsContact N-CD1 3.28Å
60I78.5Confident76.9Confident3 Ų340.9 Ų40.92%0.01522%0.216CC..Hα-helixtrans-62.3-47.1175.7-66.6158.5000110.4R15 L18 E19 L22 D56 V57 S63 S64R15-I60 HydrophobicContact CB-CD1 3.93Å; R15-I60 HydrophobicContact CG-CD1 3.71Å; R15-I60 HydrophobicContact CG-CG1 4.01Å; L18-I60 HydrophobicContact CB-CD1 4.34Å; L18-I60 HydrophobicContact CD2-CD1 3.91Å; L18-I60 HydrophobicContact CG-CD1 4.42Å; E19-I60 HydrophobicContact CB-CG2 4.45Å; E19-I60 HydrophobicContact CG-CB 4.32Å; E19-I60 HydrophobicContact CG-CD1 4.35Å; E19-I60 HydrophobicContact CG-CG1 3.93Å; E19-I60 HydrophobicContact CG-CG2 3.52Å; L22-I60 HydrophobicContact CD1-CG2 3.75Å; D56-I60 VanDerWaalsContact O-CD1 3.25Å; D56-I60 WeakPolarHBondContact O-CD1 3.48Å; D56-I60 WeakPolarHBondContact O-CG1 3.3Å; D56-I60 PolarHBondContact O-N 3.38Å; V57-I60 PolarHBondContact O-N 3.12Å; I60-S63 PolarHBondContact O-OG 2.82Å; I60-S64 WeakPolarHBondContact O-CB 3.41Å; I60-S64 PolarHBondContact O-OG 2.83Å
61V78.9Confident77.3Confident20 Ų2041.9 Ų41.912%0.12122%0.219CC..Hα-helixtrans-66.3-37.7-179.31730000111.8L22 V57 Y58 S64 F70L22-V61 HydrophobicContact CD1-CG2 4.12Å; V57-V61 VanDerWaalsContact O-CG2 3.29Å; V57-V61 WeakPolarHBondContact O-CG2 3.44Å; V57-V61 PolarHBondContact O-N 3.28Å; Y58-V61 PolarHBondContact O-N 2.94Å; V61-S64 PolarHBondContact O-OG 3.49Å; V61-F70 HydrophobicContact CG1-CB 4Å; V61-F70 HydrophobicContact CG2-CB 3.76Å; V61-F70 HydrophobicContact CG2-CD1 4.19Å; V61-F70 HydrophobicContact CG2-CD2 3.95Å; V61-F70 HydrophobicContact CG2-CG 3.69Å
62G76.2Confident77.6Confident23 Ų2341 Ų4124%0.23722%0.215CC..Hα-helixtrans-79.8-31.7-178.300000114.5Y58 E59 S64Y58-G62 PolarHBondContact O-N 2.99Å; E59-G62 PolarHBondContact O-N 3.15Å; G62-S64 VanDerWaalsContact C-N 3.25Å; G62-S64 PolarHBondContact O-N 3.37Å
63S69.7Low78Confident83 Ų8340.3 Ų40.358%0.5821%0.212SC*.Hα-helixtrans-78.7-7.4178.857.70000114.1E59 I60E59-S63 WeakPolarHBondContact O-CB 3.37Å; E59-S63 PolarHBondContact O-N 3.27Å; E59-S63 PolarHBondContact O-OG 2.88Å; I60-S63 PolarHBondContact O-OG 2.82Å
64S63.9Low78.2Confident33 Ų3340.3 Ų40.323%0.23121%0.212CC..SBendtrans-111.9151.6-174.2500000110.9I60 V61 G62 F66I60-S64 WeakPolarHBondContact O-CB 3.41Å; I60-S64 PolarHBondContact O-OG 2.83Å; V61-S64 PolarHBondContact O-OG 3.49Å; G62-S64 VanDerWaalsContact C-N 3.25Å; G62-S64 PolarHBondContact O-N 3.37Å; S64-F66 PolarHBondContact O-N 3.02Å; S64-F66 WeakPolarHBondContact OG-CD2 3.39Å; S64-F66 WeakPolarHBondContact OG-CE2 3.35Å
65N60.1Low77.8Confident172 Ų17241.5 Ų41.592%0.9222%0.218SC*.  trans-75.530.9175.9-72.8-31.6000112.6K67N65-K67 PolarHBondContact O-N 3.18Å
66F63.4Low77.7Confident46 Ų4638.2 Ų38.220%0.20221%0.207CC..  trans-67.2123.4-178.9-69-44.5000110.7L22 A26 S64 S68L22-F66 VanDerWaalsContact C-CZ 3.43Å; L22-F66 HydrophobicContact CB-CD1 4.47Å; L22-F66 HydrophobicContact CB-CD2 4.01Å; L22-F66 HydrophobicContact CB-CE1 3.84Å; L22-F66 HydrophobicContact CB-CE2 3.35Å; L22-F66 HydrophobicContact CB-CZ 3.27Å; L22-F66 HydrophobicContact CD1-CD2 4.17Å; L22-F66 HydrophobicContact CD1-CE2 3.82Å; L22-F66 HydrophobicContact CG-CE2 4.2Å; L22-F66 WeakPolarHBondContact O-CE1 3.46Å; A26-F66 HydrophobicContact CB-CD1 3.71Å; A26-F66 HydrophobicContact CB-CE1 4.05Å; S64-F66 PolarHBondContact O-N 3.02Å; S64-F66 WeakPolarHBondContact OG-CD2 3.39Å; S64-F66 WeakPolarHBondContact OG-CE2 3.35Å; F66-S68 VanDerWaalsContact C-N 3.32Å
67K62.5Low77.7Confident178 Ų17836.9 Ų36.977%0.77420%0.2SC*.  trans-86.2-5.2173.8-66.1-174.2178.2-179.60113.2N65N65-K67 PolarHBondContact O-N 3.18Å
68S69.4Low77.3Confident15 Ų1538.6 Ų38.611%0.10521%0.207CC..SBendtrans-84.7141.5179.948.70000111.4C31 F66C31-S68 CarbonylContact O-C 3.59Å; C31-S68 WeakPolarHBondContact O-CA 3.2Å; C31-S68 WeakPolarHBondContact O-CB 3.35Å; F66-S68 VanDerWaalsContact C-N 3.32Å
69N79.1Confident76.5Confident81 Ų8139.5 Ų39.543%0.43322%0.217SC..EExtended strand (participates in β ladder)trans-77.3135.2172.7-67.2-43.6000109.6C31 T32 V33C31-N69 PolarHBondContact O-N 2.87Å; T32-N69 CarbonylContact C-O 3.21Å; T32-N69 VanDerWaalsContact CA-O 3.29Å; T32-N69 WeakPolarHBondContact CA-O 3.28Å; T32-N69 HydrophobicContact CG2-CB 4.01Å; V33-N69 PolarHBondContact N-O 3.43Å
70F85.2Confident75.7Confident2 Ų241.7 Ų41.71%0.00923%0.228CC..EExtended strand (participates in β ladder)trans-114.8134.7179.2-162-83.9000110.3L18 L22 V33 L35 V57 V61 I72L18-F70 HydrophobicContact CD1-CE2 4.46Å; L22-F70 HydrophobicContact CD2-CD2 3.97Å; L22-F70 HydrophobicContact CD2-CE2 3.85Å; V33-F70 HydrophobicContact CB-CD2 3.84Å; V33-F70 HydrophobicContact CB-CE2 4.14Å; V33-F70 HydrophobicContact CG1-CD2 3.94Å; V33-F70 HydrophobicContact CG1-CE2 3.69Å; V33-F70 CarbonylContact O-C 3.57Å; V33-F70 WeakPolarHBondContact O-CA 3.35Å; L35-F70 HydrophobicContact CB-CE1 3.62Å; L35-F70 HydrophobicContact CB-CZ 3.48Å; L35-F70 VanDerWaalsContact CB-CZ 3.48Å; L35-F70 HydrophobicContact CD1-CE1 4.11Å; L35-F70 HydrophobicContact CD1-CZ 3.58Å; L35-F70 HydrophobicContact CG-CE1 4.49Å; L35-F70 HydrophobicContact CG-CZ 4.17Å; V57-F70 HydrophobicContact CG1-CD1 3.72Å; V57-F70 HydrophobicContact CG1-CE1 3.15Å; V57-F70 HydrophobicContact CG1-CZ 3.68Å; V61-F70 HydrophobicContact CG1-CB 4Å; V61-F70 HydrophobicContact CG2-CB 3.76Å; V61-F70 HydrophobicContact CG2-CD1 4.19Å; V61-F70 HydrophobicContact CG2-CD2 3.95Å; V61-F70 HydrophobicContact CG2-CG 3.69Å; F70-I72 HydrophobicContact CD1-CG1 4.14Å; F70-I72 HydrophobicContact CE1-CG1 3.75Å
71R88.8Confident74.8Confident26 Ų2645.7 Ų45.710%0.09826%0.256CS..EExtended strand (participates in β ladder)trans-135.8124.6-176.4-63.5-172.6-174.1-166.6-1.3110.1T32 V33 Y34 L35 H215 T219 I220T32-R71 HydrophobicContact CG2-CG 4.2Å; V33-R71 PolarHBondContact O-N 3.29Å; Y34-R71 CarbonylContact C-O 3.38Å; Y34-R71 VanDerWaalsContact CA-O 3.28Å; Y34-R71 WeakPolarHBondContact CA-O 3.47Å; Y34-R71 HydrophobicContact CD1-CB 3.77Å; Y34-R71 HydrophobicContact CD1-CG 4.5Å; Y34-R71 HydrophobicContact CE1-CB 3.97Å; Y34-R71 VanDerWaalsContact CE1-CD 3.48Å; Y34-R71 HydrophobicContact CE1-CG 4.24Å; L35-R71 PolarHBondContact N-O 3.26Å; R71-H215 PolarHBondContact NH2-NE2 3.37Å; R71-T219 VanDerWaalsContact NH1-CG2 3.25Å; R71-T219 PolarHBondContact NH1-OG1 2.87Å; R71-I220 HydrophobicContact CB-CG2 3.96Å; R71-I220 HydrophobicContact CG-CG2 4.49Å
72I90Very high73.8Confident0 Ų046.3 Ų46.30%026%0.259CS..EExtended strand (participates in β ladder)trans-97.8119.7177.6-57.7170.1000108.8L35 F53 V54 V57 Y58 F70 T74 L77 T175 I220L35-I72 HydrophobicContact CD2-CG2 4.29Å; F53-I72 HydrophobicContact CE1-CG2 4.35Å; V54-I72 HydrophobicContact CB-CD1 4.23Å; V54-I72 HydrophobicContact CG1-CD1 4.13Å; V54-I72 HydrophobicContact CG2-CD1 4Å; V57-I72 HydrophobicContact CB-CD1 3.94Å; V57-I72 HydrophobicContact CG1-CD1 3.69Å; V57-I72 HydrophobicContact CG1-CG1 4.08Å; V57-I72 HydrophobicContact CG2-CD1 4.5Å; Y58-I72 HydrophobicContact CD2-CD1 4.08Å; Y58-I72 HydrophobicContact CE2-CD1 3.71Å; Y58-I72 HydrophobicContact CE2-CG1 4.46Å; F70-I72 HydrophobicContact CD1-CG1 4.14Å; F70-I72 HydrophobicContact CE1-CG1 3.75Å; I72-T74 PolarHBondContact O-N 3.04Å; I72-L77 HydrophobicContact CG2-CD1 3.59Å; I72-L77 HydrophobicContact CG2-CG 4.23Å; I72-T175 HydrophobicContact CB-CG2 4.22Å; I72-I220 VanDerWaalsContact O-CB 3.32Å; I72-I220 WeakPolarHBondContact O-CB 3.29Å; I72-I220 WeakPolarHBondContact O-CG2 3.3Å
73L88.2Confident72.6Confident10 Ų1050 Ų505%0.05228%0.281CS..  trans-74.7112.3177.8-59.3-173.5000110Y34 L35 Q36 D75 S76 W85 I220Y34-L73 HydrophobicContact CD1-CD2 4.12Å; L35-L73 PolarHBondContact O-N 3.38Å; Q36-L73 HydrophobicContact CB-CD1 4.09Å; Q36-L73 HydrophobicContact CG-CD1 4.33Å; L73-D75 PolarHBondContact O-N 3.47Å; L73-S76 WeakPolarHBondContact O-CB 3.04Å; L73-S76 PolarHBondContact O-N 2.93Å; L73-S76 PolarHBondContact O-OG 3.46Å; L73-W85 HydrophobicContact CD1-CB 3.75Å; L73-W85 HydrophobicContact CD1-CD2 4.08Å; L73-W85 HydrophobicContact CD1-CE3 4Å; L73-W85 HydrophobicContact CD1-CG 3.96Å; L73-W85 HydrophobicContact CD2-CD2 4.22Å; L73-W85 HydrophobicContact CD2-CG 4.3Å; L73-I220 CarbonylContact C-O 3.52Å; L73-I220 WeakPolarHBondContact CA-O 3.42Å
74T85.9Confident72Confident0 Ų049.6 Ų49.60%029%0.29CS..Hα-helixtrans-71.5-31.2-170.956.50000113.2I72 S76 L77 K78 T175 A178 L179 I220 A221I72-T74 PolarHBondContact O-N 3.04Å; T74-S76 PolarHBondContact O-N 2.84Å; T74-L77 CarbonylContact O-C 3.59Å; T74-L77 WeakPolarHBondContact O-CA 3.5Å; T74-L77 WeakPolarHBondContact O-CB 3.33Å; T74-L77 PolarHBondContact O-N 2.96Å; T74-K78 WeakPolarHBondContact O-CG 3.48Å; T74-K78 PolarHBondContact O-N 3.23Å; T74-T175 HydrophobicContact CG2-CG2 3.87Å; T74-A178 HydrophobicContact CG2-CB 4.01Å; T74-L179 HydrophobicContact CG2-CD2 3.98Å; T74-L179 HydrophobicContact CG2-CG 3.91Å; T74-I220 HydrophobicContact CG2-CD1 4.07Å; T74-I220 PolarHBondContact N-O 3.03Å; T74-I220 PolarHBondContact OG1-O 3.14Å; T74-I220 VanDerWaalsContact OG1-O 3.14Å; T74-A221 WeakPolarHBondContact OG1-CB 3.19Å
75D80.5Confident71.8Confident25 Ų2550.2 Ų50.213%0.13429%0.287CS..Hα-helixtrans-63.1-35.4-179.2-58.4-24.3000111L73 L77 K78 G79 M80L73-D75 PolarHBondContact O-N 3.47Å; D75-L77 VanDerWaalsContact C-N 3.3Å; D75-L77 PolarHBondContact O-N 3.25Å; D75-K78 PolarHBondContact O-N 3.05Å; D75-K78 VanDerWaalsContact O-N 3.13Å; D75-G79 PolarHBondContact O-N 3.34Å; D75-M80 HydrophobicContact CB-CB 4.17Å; D75-M80 HydrophobicContact CB-SD 4.25Å; D75-M80 WeakPolarHBondContact O-CB 3.46Å; D75-M80 PolarHBondContact O-N 3.48Å
76S79.2Confident71.7Confident5 Ų542.6 Ų42.64%0.03525%0.246CC..Hα-helixtrans-62.5-38174.4830000112.1Q36 V37 A42 L73 T74 G79Q36-S76 VanDerWaalsContact CG-CB 3.48Å; V37-S76 PolarHBondContact N-OG 3.49Å; V37-S76 WeakPolarHBondContact O-CB 3.4Å; A42-S76 WeakPolarHBondContact CB-O 3.36Å; L73-S76 WeakPolarHBondContact O-CB 3.04Å; L73-S76 PolarHBondContact O-N 2.93Å; L73-S76 PolarHBondContact O-OG 3.46Å; T74-S76 PolarHBondContact O-N 2.84Å; S76-G79 PolarHBondContact O-N 2.77Å
77L81.1Confident71.5Confident4 Ų444 Ų442%0.02127%0.274CS..Hα-helixtrans-75.5-24.9175.5-62.5-176.8000113V37 W45 F53 V54 I72 T74 D75 G79 L179V37-L77 HydrophobicContact CB-CD2 3.96Å; V37-L77 HydrophobicContact CG2-CD2 3.48Å; V37-L77 VanDerWaalsContact CG2-CD2 3.48Å; W45-L77 HydrophobicContact CE3-CD2 4.02Å; W45-L77 HydrophobicContact CH2-CD2 4.37Å; W45-L77 HydrophobicContact CZ3-CD2 3.48Å; W45-L77 VanDerWaalsContact CZ3-CD2 3.48Å; F53-L77 HydrophobicContact CD1-CD1 4.31Å; F53-L77 HydrophobicContact CD1-CD2 4.02Å; F53-L77 HydrophobicContact CE1-CD2 4.11Å; V54-L77 HydrophobicContact CG2-CD1 3.76Å; I72-L77 HydrophobicContact CG2-CD1 3.59Å; I72-L77 HydrophobicContact CG2-CG 4.23Å; T74-L77 CarbonylContact O-C 3.59Å; T74-L77 WeakPolarHBondContact O-CA 3.5Å; T74-L77 WeakPolarHBondContact O-CB 3.33Å; T74-L77 PolarHBondContact O-N 2.96Å; D75-L77 VanDerWaalsContact C-N 3.3Å; D75-L77 PolarHBondContact O-N 3.25Å; L77-G79 PolarHBondContact O-N 3.5Å; L77-L179 HydrophobicContact CB-CD2 3.65Å; L77-L179 HydrophobicContact CD1-CD1 3.84Å; L77-L179 HydrophobicContact CD1-CD2 4.04Å; L77-L179 HydrophobicContact CG-CD2 4.45Å
78K77.5Confident71.9Confident36 Ų3641.2 Ų41.216%0.15727%0.267CS..THydrogen-bonded Turntrans-78.1-0.1172.6-66.3-178.2-179.6179.10112.8T74 D75 M80 V151 A178 L179 A181T74-K78 WeakPolarHBondContact O-CG 3.48Å; T74-K78 PolarHBondContact O-N 3.23Å; D75-K78 PolarHBondContact O-N 3.05Å; D75-K78 VanDerWaalsContact O-N 3.13Å; K78-M80 HydrophobicContact CB-CE 4.32Å; K78-M80 HydrophobicContact CB-CG 4.06Å; K78-M80 HydrophobicContact CB-SD 4.34Å; K78-M80 HydrophobicContact CD-CE 4.01Å; K78-M80 HydrophobicContact CD-SD 4.42Å; K78-M80 PolarHBondContact O-N 3.25Å; K78-V151 HydrophobicContact CB-CG1 3.83Å; K78-V151 HydrophobicContact CG-CG1 3.7Å; K78-A178 WeakPolarHBondContact CE-O 3.47Å; K78-A178 PolarHBondContact NZ-O 2.84Å; K78-L179 WeakPolarHBondContact CE-O 3.39Å; K78-L179 HydrophobicContact CG-CD2 4.13Å; K78-A181 PolarHBondContact NZ-O 2.77Å
79G68.9Low72.4Confident19 Ų1941.1 Ų41.120%0.19627%0.266CS..THydrogen-bonded Turntrans69.517.1-176.100000113.6D75 S76 L77D75-G79 PolarHBondContact O-N 3.34Å; S76-G79 PolarHBondContact O-N 2.77Å; L77-G79 PolarHBondContact O-N 3.5Å
80M63.3Low72.4Confident95 Ų9541.7 Ų41.747%0.46827%0.269SS..  trans-73.4160173.3-62179.6174.100110.1D75 K78D75-M80 HydrophobicContact CB-CB 4.17Å; D75-M80 HydrophobicContact CB-SD 4.25Å; D75-M80 WeakPolarHBondContact O-CB 3.46Å; D75-M80 PolarHBondContact O-N 3.48Å; K78-M80 HydrophobicContact CB-CE 4.32Å; K78-M80 HydrophobicContact CB-CG 4.06Å; K78-M80 HydrophobicContact CB-SD 4.34Å; K78-M80 HydrophobicContact CD-CE 4.01Å; K78-M80 HydrophobicContact CD-SD 4.42Å; K78-M80 PolarHBondContact O-N 3.25Å
81S58.8Low72.1Confident86 Ų8641.7 Ų41.760%0.60127%0.269SS*.  trans-56149.9-172.776.70000113.2S83S81-S83 PolarHBondContact O-N 3.37Å; S81-S83 PolarHBondContact OG-OG 2.77Å
82D58.8Low71.6Confident34 Ų3440.4 Ų40.418%0.18226%0.264CS..SBendtrans-69.811.3-178.7-66.7-71.9000115.3Y6 Q36 S39Y6-D82 PolarHBondContact OH-OD1 3.21Å; Y6-D82 PolarHBondContact OH-OD2 3.28Å; Q36-D82 PolarHBondContact NE2-OD1 3.03Å; S39-D82 WeakPolarHBondContact CB-OD2 3.44Å; S39-D82 PolarHBondContact OG-OD2 3.4Å
83S51.5Low71Confident101 Ų10140.6 Ų40.671%0.70627%0.265SS*.  trans-93-5.6-151.463.60000118S81S81-S83 PolarHBondContact O-N 3.37Å; S81-S83 PolarHBondContact OG-OG 2.77Å
84G56.1Low70.5Confident74 Ų7440.1 Ų40.176%0.76326%0.263SS*.SBendtrans-91.8-39.8-167.400000117.4
85W59.3Low70.1Confident45 Ų4540.2 Ų40.217%0.1726%0.263CS..SBendtrans-112.4-4.6-150.6-150.376.7000116.4Y34 L73 G87 V89 T219Y34-W85 HydrophobicContact CD1-CD2 4.22Å; Y34-W85 AromaticContact CD1-CE3 3.77Å; Y34-W85 HydrophobicContact CD1-CE3 3.77Å; Y34-W85 AromaticContact CD1-CH2 3.28Å; Y34-W85 HydrophobicContact CD1-CH2 3.28Å; Y34-W85 AromaticContact CD1-CZ2 3.65Å; Y34-W85 HydrophobicContact CD1-CZ2 3.65Å; Y34-W85 AromaticContact CD1-CZ3 3.26Å; Y34-W85 HydrophobicContact CD1-CZ3 3.26Å; Y34-W85 HydrophobicContact CD2-CE3 4.42Å; Y34-W85 AromaticContact CD2-CH2 3.25Å; Y34-W85 HydrophobicContact CD2-CH2 3.25Å; Y34-W85 HydrophobicContact CD2-CZ2 4.3Å; Y34-W85 AromaticContact CD2-CZ3 3.27Å; Y34-W85 HydrophobicContact CD2-CZ3 3.27Å; Y34-W85 HydrophobicContact CE1-CD2 4.41Å; Y34-W85 AromaticContact CE1-CE2 3.81Å; Y34-W85 HydrophobicContact CE1-CE3 4.26Å; Y34-W85 AromaticContact CE1-CH2 3.04Å; Y34-W85 HydrophobicContact CE1-CH2 3.04Å; Y34-W85 AromaticContact CE1-CZ2 3.09Å; Y34-W85 HydrophobicContact CE1-CZ2 3.09Å; Y34-W85 AromaticContact CE1-CZ3 3.6Å; Y34-W85 HydrophobicContact CE1-CZ3 3.6Å; Y34-W85 AromaticContact CE2-CH2 3.08Å; Y34-W85 HydrophobicContact CE2-CH2 3.08Å; Y34-W85 AromaticContact CE2-CZ2 3.89Å; Y34-W85 HydrophobicContact CE2-CZ2 3.89Å; Y34-W85 AromaticContact CE2-CZ3 3.67Å; Y34-W85 HydrophobicContact CE2-CZ3 3.67Å; Y34-W85 AromaticContact CG-CE3 3.83Å; Y34-W85 HydrophobicContact CG-CE3 3.83Å; Y34-W85 AromaticContact CG-CH2 3.34Å; Y34-W85 HydrophobicContact CG-CH2 3.34Å; Y34-W85 HydrophobicContact CG-CZ2 4.19Å; Y34-W85 AromaticContact CG-CZ3 3.04Å; Y34-W85 HydrophobicContact CG-CZ3 3.04Å; Y34-W85 AromaticContact CZ-CH2 2.95Å; Y34-W85 AromaticContact CZ-CZ2 3.24Å; Y34-W85 AromaticContact CZ-CZ3 3.81Å; Y34-W85 WeakPolarHBondContact OH-CZ2 3.34Å; L73-W85 HydrophobicContact CD1-CB 3.75Å; L73-W85 HydrophobicContact CD1-CD2 4.08Å; L73-W85 HydrophobicContact CD1-CE3 4Å; L73-W85 HydrophobicContact CD1-CG 3.96Å; L73-W85 HydrophobicContact CD2-CD2 4.22Å; L73-W85 HydrophobicContact CD2-CG 4.3Å; W85-G87 VanDerWaalsContact C-N 3.3Å; W85-G87 PolarHBondContact O-N 3.31Å; W85-V89 HydrophobicContact CE3-CG1 4.21Å; W85-V89 HydrophobicContact CH2-CG1 3.94Å; W85-V89 HydrophobicContact CZ3-CG1 3.37Å; W85-T219 HydrophobicContact CZ2-CG2 4.35Å
86M57.6Low69.7Low13 Ų1339.1 Ų39.16%0.06426%0.257CS..G310 helixtrans-80.1-5.9-167.9-57.4-172.273.700114.9L4 N88 V89 L92 I127L4-M86 HydrophobicContact CD2-CB 4.44Å; L4-M86 HydrophobicContact CD2-CE 3.54Å; L4-M86 HydrophobicContact CD2-CG 3.63Å; L4-M86 HydrophobicContact CD2-SD 4.13Å; M86-N88 VanDerWaalsContact C-N 3.33Å; M86-N88 PolarHBondContact O-N 2.97Å; M86-V89 VanDerWaalsContact O-CG2 3.29Å; M86-V89 WeakPolarHBondContact O-CG2 3.48Å; M86-L92 HydrophobicContact CE-CD1 4.01Å; M86-L92 HydrophobicContact CE-CD2 3.77Å; M86-I127 HydrophobicContact CB-CD1 3.45Å; M86-I127 VanDerWaalsContact CB-CD1 3.45Å; M86-I127 HydrophobicContact CB-CG1 3.86Å; M86-I127 HydrophobicContact CB-CG2 3.93Å; M86-I127 HydrophobicContact CE-CB 3.97Å; M86-I127 HydrophobicContact CE-CD1 4.44Å; M86-I127 HydrophobicContact CE-CG1 3.53Å; M86-I127 HydrophobicContact CE-CG2 3.8Å; M86-I127 HydrophobicContact CG-CG2 4.1Å; M86-I127 HydrophobicContact SD-CB 4.04Å; M86-I127 HydrophobicContact SD-CG1 4.03Å; M86-I127 HydrophobicContact SD-CG2 3.18Å; M86-I127 WeakPolarHBondContact SD-CG2 3.31Å
87G59.4Low69.2Low76 Ų7641.8 Ų41.878%0.78427%0.271SS*.G310 helixtrans-74.5-14-175.900000116W85W85-G87 VanDerWaalsContact C-N 3.3Å; W85-G87 PolarHBondContact O-N 3.31Å
88N71.2Confident68.1Low118 Ų11843.4 Ų43.463%0.63128%0.282SS*.G310 helixtrans-12122.7-170.8-85.2-34.4000113.8K2 M86K2-N88 WeakPolarHBondContact CD-O 3.48Å; M86-N88 VanDerWaalsContact C-N 3.33Å; M86-N88 PolarHBondContact O-N 2.97Å
89V79.4Confident67.4Low14 Ų1446.7 Ų46.79%0.08530%0.302CS..  trans-106138.4179.2-720000111K2 L4 W85 M86 S91 P123K2-V89 HydrophobicContact CB-CG1 4.23Å; L4-V89 HydrophobicContact CB-CB 4.36Å; L4-V89 HydrophobicContact CB-CG1 4.02Å; L4-V89 HydrophobicContact CB-CG2 4.23Å; W85-V89 HydrophobicContact CE3-CG1 4.21Å; W85-V89 HydrophobicContact CH2-CG1 3.94Å; W85-V89 HydrophobicContact CZ3-CG1 3.37Å; M86-V89 VanDerWaalsContact O-CG2 3.29Å; M86-V89 WeakPolarHBondContact O-CG2 3.48Å; V89-S91 VanDerWaalsContact C-N 3.27Å; V89-P123 HydrophobicContact CB-CG 4.49Å; V89-P123 HydrophobicContact CG2-CB 4.12Å; V89-P123 HydrophobicContact CG2-CG 3.73Å; V89-P123 WeakPolarHBondContact O-CG 3.49Å
90D79.5Confident67.2Low93 Ų9347.7 Ų47.750%0.49730%0.301SS..SBendtrans-74.7-27.4175.8-61-60.1000110.4M1 K2 P123M1-D90 VanDerWaalsContact C-OD2 3.32Å; M1-D90 WeakPolarHBondContact CA-OD2 3.27Å; M1-D90 HydrophobicContact CG-CB 3.92Å; K2-D90 PolarHBondContact N-OD2 3.48Å; K2-D90 PolarHBondContact O-N 3.23Å; D90-P123 WeakPolarHBondContact O-CD 3.24Å
91S78.3Confident67.1Low1 Ų143.2 Ų43.21%0.00728%0.279CS..EExtended strand (participates in β ladder)trans-154.7146.5-171.8-50.70000112M1 K2 V3 L4 V89 Y120M1-S91 WeakPolarHBondContact CE-OG 3.36Å; K2-S91 PolarHBondContact O-N 3.43Å; V3-S91 CarbonylContact C-O 3.56Å; V3-S91 WeakPolarHBondContact CA-O 3.32Å; L4-S91 PolarHBondContact N-O 2.89Å; V89-S91 VanDerWaalsContact C-N 3.27Å; S91-Y120 VanDerWaalsContact CB-CZ 3.48Å; S91-Y120 WeakPolarHBondContact OG-CE2 3.47Å; S91-Y120 PolarHBondContact OG-OH 2.78Å
92L78.1Confident67.1Low0 Ų041.6 Ų41.60%027%0.268CS..EExtended strand (participates in β ladder)trans-118134.4174.4172.366000108.7L4 M86 V94 Y120 V121 P123 F130L4-L92 HydrophobicContact CB-CD1 3.83Å; L4-L92 HydrophobicContact CD2-CD1 3.81Å; L4-L92 HydrophobicContact CG-CD1 3.68Å; L4-L92 CarbonylContact O-C 3.45Å; L4-L92 WeakPolarHBondContact O-CA 3.4Å; L4-L92 WeakPolarHBondContact O-CD1 3.41Å; M86-L92 HydrophobicContact CE-CD1 4.01Å; M86-L92 HydrophobicContact CE-CD2 3.77Å; L92-V94 HydrophobicContact CD1-CG2 4.35Å; L92-V94 HydrophobicContact CD2-CG2 4.05Å; L92-V94 HydrophobicContact CG-CG2 3.85Å; L92-Y120 CarbonylContact O-C 3.51Å; L92-Y120 WeakPolarHBondContact O-CA 3.46Å; L92-V121 HydrophobicContact CB-CB 4.3Å; L92-V121 PolarHBondContact N-O 2.8Å; L92-V121 PolarHBondContact O-N 2.88Å; L92-P123 HydrophobicContact CB-CG 4.22Å; L92-F130 HydrophobicContact CD2-CD2 3.55Å; L92-F130 HydrophobicContact CD2-CE2 3.21Å; L92-F130 HydrophobicContact CD2-CZ 4.15Å
93I79.1Confident67.2Low4 Ų448.1 Ų48.12%0.02130%0.297CS..EExtended strand (participates in β ladder)trans-117.7124.5174.8-64.4179.7000106.9V3 L4 L5 Y6 L21 I25 V118 T119 Y120V3-I93 HydrophobicContact CG1-CD1 3.51Å; V3-I93 HydrophobicContact CG1-CG1 3.83Å; L4-I93 PolarHBondContact O-N 2.9Å; L5-I93 CarbonylContact C-O 3.58Å; L5-I93 WeakPolarHBondContact CA-O 3.32Å; L5-I93 HydrophobicContact CD1-CB 4.22Å; L5-I93 HydrophobicContact CD1-CG2 3.82Å; Y6-I93 PolarHBondContact N-O 3.14Å; L21-I93 HydrophobicContact CD1-CD1 4.32Å; L21-I93 HydrophobicContact CD1-CG2 4.17Å; L21-I93 HydrophobicContact CD2-CG2 4.05Å; I25-I93 HydrophobicContact CD1-CD1 3.39Å; I25-I93 HydrophobicContact CG1-CD1 3.65Å; I93-V118 HydrophobicContact CG2-CG1 3.29Å; I93-T119 WeakPolarHBondContact CA-O 3.43Å; I93-Y120 HydrophobicContact CG1-CD2 4.2Å
94V77.9Confident67.5Low0 Ų049.3 Ų49.30%029%0.286CS..EExtended strand (participates in β ladder)trans-112.7128.2-177.2-170.60000109.5T8 L92 C96 F101 T119 V121 F130 L133T8-V94 HydrophobicContact CG2-CG1 3.91Å; L92-V94 HydrophobicContact CD1-CG2 4.35Å; L92-V94 HydrophobicContact CD2-CG2 4.05Å; L92-V94 HydrophobicContact CG-CG2 3.85Å; V94-C96 HydrophobicContact CG1-CB 3.96Å; V94-C96 PolarHBondContact O-N 3.44Å; V94-F101 HydrophobicContact CB-CE2 4.32Å; V94-F101 HydrophobicContact CG2-CE2 4.18Å; V94-T119 PolarHBondContact N-O 3.08Å; V94-T119 PolarHBondContact O-N 2.87Å; V94-T119 VanDerWaalsContact O-N 3.14Å; V94-V121 HydrophobicContact CG2-CG2 4.4Å; V94-F130 HydrophobicContact CG2-CD1 4.35Å; V94-F130 HydrophobicContact CG2-CE1 4.27Å; V94-F130 HydrophobicContact CG2-CE2 4.41Å; V94-F130 HydrophobicContact CG2-CZ 4.24Å; V94-L133 HydrophobicContact CG1-CD1 3.66Å
95D77.3Confident67.7Low2 Ų247.4 Ų47.41%0.01126%0.257CS..EExtended strand (participates in β ladder)trans-81.395.2168.3176.815.2000108.7Y6 L7 T8 R17 W117Y6-D95 PolarHBondContact O-N 2.87Å; Y6-D95 VanDerWaalsContact O-N 3.07Å; L7-D95 HydrophobicContact CD2-CB 3.74Å; T8-D95 PolarHBondContact OG1-O 3.4Å; R17-D95 IonicContact NH1-OD1 3.5Å; R17-D95 PolarHBondContact NH1-OD1 2.91Å; R17-D95 VanDerWaalsContact NH1-OD1 3.15Å; D95-W117 CarbonylContact C-O 3.45Å; D95-W117 WeakPolarHBondContact CA-O 3.44Å; D95-W117 HydrophobicContact CB-CE3 4.06Å; D95-W117 HydrophobicContact CB-CZ3 4.15Å
96C72.4Confident67.5Low1 Ų147.7 Ų47.71%0.00726%0.261CS..SBendtrans-156.1164.1-176.861.10000111.3V94 F101 W117 L133V94-C96 HydrophobicContact CG1-CB 3.96Å; V94-C96 PolarHBondContact O-N 3.44Å; C96-F101 WeakPolarHBondContact SG-CD2 3.49Å; C96-W117 PolarHBondContact N-O 3.03Å; C96-W117 CarbonylContact O-C 3.6Å; C96-W117 WeakPolarHBondContact O-CA 3.17Å; C96-L133 HydrophobicContact CB-CD1 4.2Å; C96-L133 HydrophobicContact CB-CD2 4.22Å
97D66.8Low67.3Low61 Ų6152 Ų5233%0.32629%0.291SS..  trans-68126.3173.9-170.7-38.4000110.5N99 E100 F101D97-N99 PolarHBondContact O-N 3.17Å; D97-N99 WeakPolarHBondContact OD1-CB 3.3Å; D97-N99 PolarHBondContact OD1-N 3.39Å; D97-N99 PolarHBondContact OD1-ND2 3.41Å; D97-E100 HydrophobicContact CB-CB 4.18Å; D97-E100 HydrophobicContact CB-CG 4.07Å; D97-E100 PolarHBondContact O-N 3.19Å; D97-F101 PolarHBondContact O-N 2.96Å
98P59.2Low66.8Low39 Ų3953.7 Ų53.725%0.25330%0.297SS..Hα-helixtrans-51-37.3174.1-33.939.7000115F101 S102 P116P98-F101 PolarHBondContact O-N 3.38Å; P98-S102 WeakPolarHBondContact O-CB 3.49Å; P98-S102 PolarHBondContact O-N 3.42Å; P98-S102 PolarHBondContact O-OG 3.44Å; P98-P116 WeakPolarHBondContact CD-O 3.34Å; P98-P116 HydrophobicContact CG-CB 4.11Å; P98-P116 WeakPolarHBondContact CG-O 3.34Å
99N63.1Low65.9Low105 Ų10554.9 Ų54.956%0.56130%0.303SS*.Hα-helixtrans-70.5-45.6-175.9-57.2-54000108.7D97 F101 S102 E103D97-N99 PolarHBondContact O-N 3.17Å; D97-N99 WeakPolarHBondContact OD1-CB 3.3Å; D97-N99 PolarHBondContact OD1-N 3.39Å; D97-N99 PolarHBondContact OD1-ND2 3.41Å; N99-F101 VanDerWaalsContact C-N 3.27Å; N99-F101 PolarHBondContact O-N 3.25Å; N99-S102 PolarHBondContact O-OG 3.04Å; N99-S102 VanDerWaalsContact O-OG 3.14Å; N99-E103 WeakPolarHBondContact O-CG 3.22Å; N99-E103 PolarHBondContact O-N 3.39Å
100E63.1Low64.6Low40 Ų4061.5 Ų61.519%0.18733%0.333CS..Hα-helixtrans-63.6-33.7174.4-67-170.817100112.2D97 R104 R134D97-E100 HydrophobicContact CB-CB 4.18Å; D97-E100 HydrophobicContact CB-CG 4.07Å; D97-E100 PolarHBondContact O-N 3.19Å; E100-R104 WeakPolarHBondContact O-CG 3.33Å; E100-R134 VanDerWaalsContact OE1-CD 3.31Å; E100-R134 WeakPolarHBondContact OE1-CD 3.5Å; E100-R134 IonicContact OE1-CZ 3.58Å; E100-R134 IonicContact OE1-NE 2.85Å; E100-R134 IonicContact OE1-NH1 2.78Å; E100-R134 PolarHBondContact OE1-NH1 3.03Å
101F61.5Low63.3Low0 Ų062.1 Ų62.10%035%0.345CS..Hα-helixtrans-75.4-47.3178.7-163.9-85.2000113V94 C96 D97 P98 N99 E103 R104 F105 L106 T119 V121 F130V94-F101 HydrophobicContact CB-CE2 4.32Å; V94-F101 HydrophobicContact CG2-CE2 4.18Å; C96-F101 WeakPolarHBondContact SG-CD2 3.49Å; D97-F101 PolarHBondContact O-N 2.96Å; P98-F101 PolarHBondContact O-N 3.38Å; N99-F101 VanDerWaalsContact C-N 3.27Å; N99-F101 PolarHBondContact O-N 3.25Å; F101-E103 VanDerWaalsContact C-N 3.34Å; F101-E103 PolarHBondContact O-N 3.36Å; F101-R104 PolarHBondContact O-N 2.85Å; F101-F105 HydrophobicContact CD1-CB 3.94Å; F101-F105 HydrophobicContact CD1-CD2 4.32Å; F101-F105 AromaticContact CD2-CD2 3.77Å; F101-F105 HydrophobicContact CD2-CD2 3.77Å; F101-F105 HydrophobicContact CD2-CE2 4.46Å; F101-F105 HydrophobicContact CE1-CB 3.55Å; F101-F105 HydrophobicContact CE1-CD2 4.29Å; F101-F105 HydrophobicContact CE1-CG 4.36Å; F101-F105 HydrophobicContact CE2-CB 4.46Å; F101-F105 AromaticContact CE2-CD2 3.79Å; F101-F105 HydrophobicContact CE2-CD2 3.79Å; F101-F105 HydrophobicContact CE2-CG 4.45Å; F101-F105 HydrophobicContact CG-CD2 4.07Å; F101-F105 HydrophobicContact CZ-CB 3.79Å; F101-F105 AromaticContact CZ-CD2 3.97Å; F101-F105 HydrophobicContact CZ-CD2 3.97Å; F101-F105 HydrophobicContact CZ-CG 4.19Å; F101-F105 PolarHBondContact O-N 3.02Å; F101-L106 HydrophobicContact CD1-CD1 3.62Å; F101-L106 HydrophobicContact CD1-CG 3.79Å; F101-L106 HydrophobicContact CE1-CD1 3.59Å; F101-L106 HydrophobicContact CE1-CD2 4.31Å; F101-L106 HydrophobicContact CE1-CG 3.54Å; F101-T119 HydrophobicContact CD1-CG2 3.45Å; F101-T119 VanDerWaalsContact CD1-CG2 3.45Å; F101-T119 HydrophobicContact CE1-CG2 3.44Å; F101-T119 VanDerWaalsContact CE1-CG2 3.44Å; F101-T119 HydrophobicContact CE2-CG2 4.46Å; F101-T119 HydrophobicContact CG-CG2 4.02Å; F101-T119 HydrophobicContact CZ-CG2 4.03Å; F101-V121 HydrophobicContact CE1-CG2 3.94Å; F101-V121 HydrophobicContact CE2-CG2 4.09Å; F101-V121 HydrophobicContact CZ-CG2 3.29Å; F101-F130 HydrophobicContact CD2-CE1 4.12Å; F101-F130 HydrophobicContact CE2-CD1 4.02Å; F101-F130 AromaticContact CE2-CE1 3.11Å; F101-F130 HydrophobicContact CE2-CE1 3.11Å; F101-F130 AromaticContact CE2-CZ 3.7Å; F101-F130 HydrophobicContact CE2-CZ 3.7Å; F101-F130 AromaticContact CZ-CE1 3.55Å; F101-F130 HydrophobicContact CZ-CE1 3.55Å; F101-F130 AromaticContact CZ-CZ 3.7Å; F101-F130 HydrophobicContact CZ-CZ 3.7Å
102S60.1Low62.2Low53 Ų5367.2 Ų67.237%0.37139%0.387SS..Hα-helixtrans-62.7-40.2-178.4550000111.7P98 N99 R104P98-S102 WeakPolarHBondContact O-CB 3.49Å; P98-S102 PolarHBondContact O-N 3.42Å; P98-S102 PolarHBondContact O-OG 3.44Å; N99-S102 PolarHBondContact O-OG 3.04Å; N99-S102 VanDerWaalsContact O-OG 3.14Å; S102-R104 PolarHBondContact O-N 2.92Å
103E59.7Low61.4Low171 Ų17171.3 Ų71.380%0.79942%0.416SS*.Hα-helixtrans-59.8-31.3173.1-75.5-177.2-179.900113N99 F101N99-E103 WeakPolarHBondContact O-CG 3.22Å; N99-E103 PolarHBondContact O-N 3.39Å; F101-E103 VanDerWaalsContact C-N 3.34Å; F101-E103 PolarHBondContact O-N 3.36Å
104R59Low60.7Low126 Ų12673 Ų7348%0.47543%0.425SS..Hα-helixtrans-96.3-34.9-175.4-70.4-178179.3-171.72.3114.2E100 F101 S102 N132E100-R104 WeakPolarHBondContact O-CG 3.33Å; F101-R104 PolarHBondContact O-N 2.85Å; S102-R104 PolarHBondContact O-N 2.92Å; R104-N132 PolarHBondContact NH1-O 3.26Å
105F60.3Low60.2Low34 Ų3473.8 Ų73.815%0.14943%0.43CS..Hα-helixtrans-140.2-15.3-157.2-55.5-58.3000116.9F101 L126 Q129 F130F101-F105 HydrophobicContact CD1-CB 3.94Å; F101-F105 HydrophobicContact CD1-CD2 4.32Å; F101-F105 AromaticContact CD2-CD2 3.77Å; F101-F105 HydrophobicContact CD2-CD2 3.77Å; F101-F105 HydrophobicContact CD2-CE2 4.46Å; F101-F105 HydrophobicContact CE1-CB 3.55Å; F101-F105 HydrophobicContact CE1-CD2 4.29Å; F101-F105 HydrophobicContact CE1-CG 4.36Å; F101-F105 HydrophobicContact CE2-CB 4.46Å; F101-F105 AromaticContact CE2-CD2 3.79Å; F101-F105 HydrophobicContact CE2-CD2 3.79Å; F101-F105 HydrophobicContact CE2-CG 4.45Å; F101-F105 HydrophobicContact CG-CD2 4.07Å; F101-F105 HydrophobicContact CZ-CB 3.79Å; F101-F105 AromaticContact CZ-CD2 3.97Å; F101-F105 HydrophobicContact CZ-CD2 3.97Å; F101-F105 HydrophobicContact CZ-CG 4.19Å; F101-F105 PolarHBondContact O-N 3.02Å; F105-L126 HydrophobicContact CB-CD2 3.94Å; F105-L126 HydrophobicContact CD1-CD2 3.45Å; F105-L126 VanDerWaalsContact CD1-CD2 3.45Å; F105-L126 HydrophobicContact CE1-CD2 4.29Å; F105-L126 HydrophobicContact CG-CD2 3.94Å; F105-Q129 HydrophobicContact CD1-CB 4.38Å; F105-Q129 VanDerWaalsContact CD1-OE1 3.25Å; F105-Q129 HydrophobicContact CE1-CB 3.44Å; F105-Q129 VanDerWaalsContact CE1-CB 3.44Å; F105-Q129 HydrophobicContact CE1-CG 4.29Å; F105-Q129 HydrophobicContact CZ-CB 3.83Å; F105-F130 AromaticContact CD2-CE1 3.85Å; F105-F130 HydrophobicContact CD2-CE1 3.85Å; F105-F130 HydrophobicContact CE2-CD1 4.11Å; F105-F130 AromaticContact CE2-CE1 3.88Å; F105-F130 HydrophobicContact CE2-CE1 3.88Å; F105-F130 HydrophobicContact CG-CE1 4.29Å; F105-F130 HydrophobicContact CZ-CD1 4.47Å; F105-F130 HydrophobicContact CZ-CE1 4.36Å
106L55.3Low59.7Low50 Ų5078.6 Ų78.626%0.26246%0.461SS..  trans-126.5140-175.7-72.8173.7000115.3F101 T119F101-L106 HydrophobicContact CD1-CD1 3.62Å; F101-L106 HydrophobicContact CD1-CG 3.79Å; F101-L106 HydrophobicContact CE1-CD1 3.59Å; F101-L106 HydrophobicContact CE1-CD2 4.31Å; F101-L106 HydrophobicContact CE1-CG 3.54Å; L106-T119 HydrophobicContact CD1-CG2 3.36Å
107P52.1Low59.4Low104 Ų10480.3 Ų80.368%0.67547%0.467SS*.  trans-64.9142.5153.9-14.529.5000111.3D109P107-D109 PolarHBondContact O-N 2.88Å
108A50.5Low59.7Low111 Ų11177.8 Ų77.892%0.91745%0.454SS*.THydrogen-bonded Turntrans-65.411.8-162.200000118.9
109D51Low60.2Low143 Ų14376.7 Ų76.777%0.76545%0.447SS*.THydrogen-bonded Turntrans-105.3-21.6-165.5175.4-67.7000115.8P107P107-D109 PolarHBondContact O-N 2.88Å
110Q52.6Low60.6Low154 Ų15476.5 Ų76.572%0.7244%0.439SS*.  trans-97.715.4-156.6-68.3-170.216.800119.6
111S53Low61Low105 Ų10574.8 Ų74.873%0.73443%0.431SS*.  trans-101.915.9-164.869.10000118.8S113S111-S113 PolarHBondContact O-N 3.48Å; S111-S113 VanDerWaalsContact O-N 3.08Å
112A55Low61.3Low108 Ų10882.3 Ų82.389%0.89346%0.464SS*.THydrogen-bonded Turntrans-71.5-8.6-161.300000118.2
113S61.1Low61.7Low86 Ų8680.5 Ų80.560%0.60145%0.451SS*.THydrogen-bonded Turntrans-128.510-168.374.10000117.2R24 S111R24-S113 VanDerWaalsContact CD-O 3.24Å; R24-S113 WeakPolarHBondContact CD-O 3.19Å; R24-S113 PolarHBondContact NH1-O 2.89Å; S111-S113 PolarHBondContact O-N 3.48Å; S111-S113 VanDerWaalsContact O-N 3.08Å
114L63.6Low61.7Low40 Ų4077.4 Ų77.421%0.20945%0.454CS..SBendtrans-122.7160.2179.3-69.6169.8000111.4L21 R24 V118L21-L114 HydrophobicContact CD1-CD2 4.2Å; R24-L114 HydrophobicContact CB-CD2 4.12Å; L114-V118 HydrophobicContact CB-CB 4.04Å; L114-V118 HydrophobicContact CB-CG1 3.99Å; L114-V118 HydrophobicContact CD1-CG1 3.77Å; L114-V118 HydrophobicContact CD2-CG1 4.27Å; L114-V118 HydrophobicContact CG-CG1 4.22Å
115P67.5Low61.5Low17 Ų1775.6 Ų75.611%0.1146%0.461CS..  trans-54148.8169.6-22.333000110.3A20 W117 V118A20-P115 HydrophobicContact CB-CG 4.5Å; P115-W117 VanDerWaalsContact C-N 3.32Å; P115-W117 HydrophobicContact CB-CD2 4.46Å; P115-W117 HydrophobicContact CB-CZ2 3.96Å; P115-W117 VanDerWaalsContact CB-NE1 3.33Å; P115-W117 HydrophobicContact CG-CZ2 4.02Å; P115-W117 PolarHBondContact O-N 3.33Å; P115-V118 HydrophobicContact CB-CG2 4.02Å; P115-V118 HydrophobicContact CG-CG2 4.06Å; P115-V118 WeakPolarHBondContact O-CB 3.47Å; P115-V118 PolarHBondContact O-N 3.48Å
116P66.9Low61.5Low102 Ų10275.1 Ų75.166%0.66246%0.46SS*.THydrogen-bonded Turntrans-51-51.1-176.7-27.934.2000111.6P98 V118P98-P116 WeakPolarHBondContact CD-O 3.34Å; P98-P116 HydrophobicContact CG-CB 4.11Å; P98-P116 WeakPolarHBondContact CG-O 3.34Å; P116-V118 PolarHBondContact O-N 3.16Å
117W67Low61.5Low38 Ų3875.6 Ų75.614%0.14446%0.462CS..THydrogen-bonded Turntrans-64.15-179.158.6-90000115.9R17 L21 D95 C96 P115R17-W117 VanDerWaalsContact C-CZ2 3.45Å; R17-W117 HydrophobicContact CB-CD2 4.32Å; R17-W117 HydrophobicContact CB-CE3 4.39Å; R17-W117 HydrophobicContact CB-CH2 3.34Å; R17-W117 HydrophobicContact CB-CZ2 3.21Å; R17-W117 HydrophobicContact CB-CZ3 3.92Å; R17-W117 HydrophobicContact CG-CD2 3.94Å; R17-W117 VanDerWaalsContact CG-CE2 3.4Å; R17-W117 HydrophobicContact CG-CE3 4.41Å; R17-W117 HydrophobicContact CG-CH2 4.04Å; R17-W117 HydrophobicContact CG-CZ2 3.51Å; R17-W117 HydrophobicContact CG-CZ3 4.42Å; R17-W117 WeakPolarHBondContact O-CH2 3.33Å; R17-W117 WeakPolarHBondContact O-CZ2 3.33Å; L21-W117 HydrophobicContact CB-CH2 3.9Å; L21-W117 HydrophobicContact CB-CZ2 4.49Å; L21-W117 HydrophobicContact CD2-CH2 4.28Å; D95-W117 CarbonylContact C-O 3.45Å; D95-W117 WeakPolarHBondContact CA-O 3.44Å; D95-W117 HydrophobicContact CB-CE3 4.06Å; D95-W117 HydrophobicContact CB-CZ3 4.15Å; C96-W117 PolarHBondContact N-O 3.03Å; C96-W117 CarbonylContact O-C 3.6Å; C96-W117 WeakPolarHBondContact O-CA 3.17Å; P115-W117 VanDerWaalsContact C-N 3.32Å; P115-W117 HydrophobicContact CB-CD2 4.46Å; P115-W117 HydrophobicContact CB-CZ2 3.96Å; P115-W117 VanDerWaalsContact CB-NE1 3.33Å; P115-W117 HydrophobicContact CG-CZ2 4.02Å; P115-W117 PolarHBondContact O-N 3.33Å
118V71.7Confident61.8Low8 Ų875.2 Ų75.25%0.04846%0.462CS..EExtended strand (participates in β ladder)trans-117.4119.7-178.7-178.80000109.9L21 I93 L114 P115 P116L21-V118 HydrophobicContact CD1-CB 4.46Å; L21-V118 HydrophobicContact CD1-CG1 3.57Å; L21-V118 HydrophobicContact CD1-CG2 4.06Å; I93-V118 HydrophobicContact CG2-CG1 3.29Å; L114-V118 HydrophobicContact CB-CB 4.04Å; L114-V118 HydrophobicContact CB-CG1 3.99Å; L114-V118 HydrophobicContact CD1-CG1 3.77Å; L114-V118 HydrophobicContact CD2-CG1 4.27Å; L114-V118 HydrophobicContact CG-CG1 4.22Å; P115-V118 HydrophobicContact CB-CG2 4.02Å; P115-V118 HydrophobicContact CG-CG2 4.06Å; P115-V118 WeakPolarHBondContact O-CB 3.47Å; P115-V118 PolarHBondContact O-N 3.48Å; P116-V118 PolarHBondContact O-N 3.16Å
119T69.3Low62.3Low16 Ų1674 Ų7410%0.09844%0.438CS..EExtended strand (participates in β ladder)trans-118.5132.5173.6-560000112I93 V94 F101 L106 V121I93-T119 WeakPolarHBondContact CA-O 3.43Å; V94-T119 PolarHBondContact N-O 3.08Å; V94-T119 PolarHBondContact O-N 2.87Å; V94-T119 VanDerWaalsContact O-N 3.14Å; F101-T119 HydrophobicContact CD1-CG2 3.45Å; F101-T119 VanDerWaalsContact CD1-CG2 3.45Å; F101-T119 HydrophobicContact CE1-CG2 3.44Å; F101-T119 VanDerWaalsContact CE1-CG2 3.44Å; F101-T119 HydrophobicContact CE2-CG2 4.46Å; F101-T119 HydrophobicContact CG-CG2 4.02Å; F101-T119 HydrophobicContact CZ-CG2 4.03Å; L106-T119 HydrophobicContact CD1-CG2 3.36Å; T119-V121 HydrophobicContact CG2-CG2 4.42Å
120Y72.6Confident62.7Low100 Ų10067.3 Ų67.339%0.39240%0.401SS..EExtended strand (participates in β ladder)trans-93.7135.3178-178.1-83000111.3M1 S91 L92 I93M1-Y120 HydrophobicContact CE-CE2 4.15Å; M1-Y120 WeakPolarHBondContact CE-OH 3.38Å; S91-Y120 VanDerWaalsContact CB-CZ 3.48Å; S91-Y120 WeakPolarHBondContact OG-CE2 3.47Å; S91-Y120 PolarHBondContact OG-OH 2.78Å; L92-Y120 CarbonylContact O-C 3.51Å; L92-Y120 WeakPolarHBondContact O-CA 3.46Å; I93-Y120 HydrophobicContact CG1-CD2 4.2Å
121V71.2Confident62.9Low4 Ų462.4 Ų62.42%0.02438%0.384CS..EExtended strand (participates in β ladder)trans-140.5139.7-171.1-167.40000110.6L92 V94 F101 T119 L126 F130L92-V121 HydrophobicContact CB-CB 4.3Å; L92-V121 PolarHBondContact N-O 2.8Å; L92-V121 PolarHBondContact O-N 2.88Å; V94-V121 HydrophobicContact CG2-CG2 4.4Å; F101-V121 HydrophobicContact CE1-CG2 3.94Å; F101-V121 HydrophobicContact CE2-CG2 4.09Å; F101-V121 HydrophobicContact CZ-CG2 3.29Å; T119-V121 HydrophobicContact CG2-CG2 4.42Å; V121-L126 HydrophobicContact CG1-CB 3.94Å; V121-L126 HydrophobicContact CG1-CD1 3.19Å; V121-L126 HydrophobicContact CG1-CG 4.15Å; V121-F130 HydrophobicContact CG1-CZ 4.23Å; V121-F130 HydrophobicContact CG2-CZ 4.22Å
122K68.7Low63Low159 Ų15963.1 Ų63.169%0.69138%0.38SS*.  trans-78.8123.7167.4-72.7-171.2178.8-179.30109.6A124K122-A124 PolarHBondContact O-N 2.98Å; K122-A124 VanDerWaalsContact O-N 3.08Å
123P66.7Low63.1Low14 Ų1458.4 Ų58.49%0.09134%0.339CS..G310 helixtrans-63.2-21.2-170.2-28.238.6000115.4V89 D90 L92 S125 L126 I127V89-P123 HydrophobicContact CB-CG 4.49Å; V89-P123 HydrophobicContact CG2-CB 4.12Å; V89-P123 HydrophobicContact CG2-CG 3.73Å; V89-P123 WeakPolarHBondContact O-CG 3.49Å; D90-P123 WeakPolarHBondContact O-CD 3.24Å; L92-P123 HydrophobicContact CB-CG 4.22Å; P123-S125 PolarHBondContact O-N 3.03Å; P123-L126 PolarHBondContact O-N 2.76Å; P123-I127 HydrophobicContact CB-CD1 4.06Å; P123-I127 HydrophobicContact CB-CG1 4.4Å; P123-I127 WeakPolarHBondContact O-CD1 3.48Å
124A61.2Low62.8Low106 Ų10661.9 Ų61.988%0.87634%0.339SS*.G310 helixtrans-53.6-11.6-166.100000117K122K122-A124 PolarHBondContact O-N 2.98Å; K122-A124 VanDerWaalsContact O-N 3.08Å
125S54.4Low62.1Low89 Ų8962.7 Ų62.762%0.62235%0.346SS*.G310 helixtrans-148.4-3.5-179.756.50000117.1P123P123-S125 PolarHBondContact O-N 3.03Å
126L59.5Low61Low24 Ų2466.1 Ų66.113%0.12637%0.367CS..THydrogen-bonded Turntrans-114.6-11.3-162.8-79.1155.3000115.1F105 V121 P123 S128 Q129 F130F105-L126 HydrophobicContact CB-CD2 3.94Å; F105-L126 HydrophobicContact CD1-CD2 3.45Å; F105-L126 VanDerWaalsContact CD1-CD2 3.45Å; F105-L126 HydrophobicContact CE1-CD2 4.29Å; F105-L126 HydrophobicContact CG-CD2 3.94Å; V121-L126 HydrophobicContact CG1-CB 3.94Å; V121-L126 HydrophobicContact CG1-CD1 3.19Å; V121-L126 HydrophobicContact CG1-CG 4.15Å; P123-L126 PolarHBondContact O-N 2.76Å; L126-S128 PolarHBondContact O-N 3.49Å; L126-Q129 PolarHBondContact O-N 3.05Å; L126-F130 HydrophobicContact CB-CE2 3.65Å; L126-F130 HydrophobicContact CB-CZ 3.7Å; L126-F130 HydrophobicContact CD2-CZ 4.48Å; L126-F130 VanDerWaalsContact O-CD2 3.24Å; L126-F130 WeakPolarHBondContact O-CD2 3.3Å; L126-F130 WeakPolarHBondContact O-CE2 3.48Å
127I56.4Low59.9Low60 Ų6069.5 Ų69.531%0.30837%0.374SS..G310 helixtrans-51.9-51.5-172.3-71163.1000113.3M86 P123 Q129 F130M86-I127 HydrophobicContact CB-CD1 3.45Å; M86-I127 VanDerWaalsContact CB-CD1 3.45Å; M86-I127 HydrophobicContact CB-CG1 3.86Å; M86-I127 HydrophobicContact CB-CG2 3.93Å; M86-I127 HydrophobicContact CE-CB 3.97Å; M86-I127 HydrophobicContact CE-CD1 4.44Å; M86-I127 HydrophobicContact CE-CG1 3.53Å; M86-I127 HydrophobicContact CE-CG2 3.8Å; M86-I127 HydrophobicContact CG-CG2 4.1Å; M86-I127 HydrophobicContact SD-CB 4.04Å; M86-I127 HydrophobicContact SD-CG1 4.03Å; M86-I127 HydrophobicContact SD-CG2 3.18Å; M86-I127 WeakPolarHBondContact SD-CG2 3.31Å; P123-I127 HydrophobicContact CB-CD1 4.06Å; P123-I127 HydrophobicContact CB-CG1 4.4Å; P123-I127 WeakPolarHBondContact O-CD1 3.48Å; I127-Q129 PolarHBondContact O-N 3.09Å; I127-Q129 VanDerWaalsContact O-N 3.15Å; I127-F130 PolarHBondContact O-N 3.07Å
128S58.3Low58.4Low96 Ų9670.6 Ų70.667%0.67139%0.391SS*.G310 helixtrans-69.1-13.3-175.157.20000113.7L126 S131L126-S128 PolarHBondContact O-N 3.49Å; S128-S131 PolarHBondContact O-OG 2.83Å
129Q60.8Low56.9Low86 Ų8678.8 Ų78.840%0.40243%0.426SS..G310 helixtrans-91.5-12.7-174-54.1-178.30.300112.9F105 L126 I127 S131F105-Q129 HydrophobicContact CD1-CB 4.38Å; F105-Q129 VanDerWaalsContact CD1-OE1 3.25Å; F105-Q129 HydrophobicContact CE1-CB 3.44Å; F105-Q129 VanDerWaalsContact CE1-CB 3.44Å; F105-Q129 HydrophobicContact CE1-CG 4.29Å; F105-Q129 HydrophobicContact CZ-CB 3.83Å; L126-Q129 PolarHBondContact O-N 3.05Å; I127-Q129 PolarHBondContact O-N 3.09Å; I127-Q129 VanDerWaalsContact O-N 3.15Å; Q129-S131 VanDerWaalsContact C-N 3.32Å; Q129-S131 PolarHBondContact O-N 2.61Å
130F60.1Low55.6Low1 Ų183.1 Ų83.10%0.00445%0.454CS..G310 helixtrans-80.6-7.7-178.1-64.2-51.6000115.1Y6 L92 V94 F101 F105 V121 L126 I127 N132 L133Y6-F130 HydrophobicContact CD1-CB 4.25Å; Y6-F130 HydrophobicContact CE1-CB 3.98Å; L92-F130 HydrophobicContact CD2-CD2 3.55Å; L92-F130 HydrophobicContact CD2-CE2 3.21Å; L92-F130 HydrophobicContact CD2-CZ 4.15Å; V94-F130 HydrophobicContact CG2-CD1 4.35Å; V94-F130 HydrophobicContact CG2-CE1 4.27Å; V94-F130 HydrophobicContact CG2-CE2 4.41Å; V94-F130 HydrophobicContact CG2-CZ 4.24Å; F101-F130 HydrophobicContact CD2-CE1 4.12Å; F101-F130 HydrophobicContact CE2-CD1 4.02Å; F101-F130 AromaticContact CE2-CE1 3.11Å; F101-F130 HydrophobicContact CE2-CE1 3.11Å; F101-F130 AromaticContact CE2-CZ 3.7Å; F101-F130 HydrophobicContact CE2-CZ 3.7Å; F101-F130 AromaticContact CZ-CE1 3.55Å; F101-F130 HydrophobicContact CZ-CE1 3.55Å; F101-F130 AromaticContact CZ-CZ 3.7Å; F101-F130 HydrophobicContact CZ-CZ 3.7Å; F105-F130 AromaticContact CD2-CE1 3.85Å; F105-F130 HydrophobicContact CD2-CE1 3.85Å; F105-F130 HydrophobicContact CE2-CD1 4.11Å; F105-F130 AromaticContact CE2-CE1 3.88Å; F105-F130 HydrophobicContact CE2-CE1 3.88Å; F105-F130 HydrophobicContact CG-CE1 4.29Å; F105-F130 HydrophobicContact CZ-CD1 4.47Å; F105-F130 HydrophobicContact CZ-CE1 4.36Å; V121-F130 HydrophobicContact CG1-CZ 4.23Å; V121-F130 HydrophobicContact CG2-CZ 4.22Å; L126-F130 HydrophobicContact CB-CE2 3.65Å; L126-F130 HydrophobicContact CB-CZ 3.7Å; L126-F130 HydrophobicContact CD2-CZ 4.48Å; L126-F130 VanDerWaalsContact O-CD2 3.24Å; L126-F130 WeakPolarHBondContact O-CD2 3.3Å; L126-F130 WeakPolarHBondContact O-CE2 3.48Å; I127-F130 PolarHBondContact O-N 3.07Å; F130-N132 PolarHBondContact O-N 3.2Å; F130-L133 HydrophobicContact CB-CD1 4.22Å; F130-L133 HydrophobicContact CD1-CD1 3.7Å; F130-L133 HydrophobicContact CG-CD1 4.38Å; F130-L133 PolarHBondContact O-N 2.82Å
131S55.2Low54.1Low52 Ų5283.2 Ų83.236%0.36448%0.476SS..G310 helixtrans-64.6-9.3179.354.10000114.6H38 S128 Q129H38-S131 PolarHBondContact CE1-O 2.88Å; H38-S131 VanDerWaalsContact NE2-C 3.31Å; H38-S131 VanDerWaalsContact NE2-CA 3.27Å; H38-S131 WeakPolarHBondContact NE2-CA 3.25Å; H38-S131 PolarHBondContact NE2-O 3.45Å; S128-S131 PolarHBondContact O-OG 2.83Å; Q129-S131 VanDerWaalsContact C-N 3.32Å; Q129-S131 PolarHBondContact O-N 2.61Å
132N55.5Low52.8Low119 Ų11987.2 Ų87.264%0.63650%0.497SS*.G310 helixtrans-112.322.1-174.1-63.9-37.1000113.5R104 F130R104-N132 PolarHBondContact NH1-O 3.26Å; F130-N132 PolarHBondContact O-N 3.2Å
133L58.3Low51.7Low9 Ų985.6 Ų85.65%0.04750%0.496CS..  trans-87.5145.3179.1-74.3168.8000111.6T8 V94 C96 F130T8-L133 HydrophobicContact CG2-CB 3.95Å; T8-L133 HydrophobicContact CG2-CD1 3.76Å; V94-L133 HydrophobicContact CG1-CD1 3.66Å; C96-L133 HydrophobicContact CB-CD1 4.2Å; C96-L133 HydrophobicContact CB-CD2 4.22Å; F130-L133 HydrophobicContact CB-CD1 4.22Å; F130-L133 HydrophobicContact CD1-CD1 3.7Å; F130-L133 HydrophobicContact CG-CD1 4.38Å; F130-L133 PolarHBondContact O-N 2.82Å
134R54.3Low50.6Low159 Ų15989.4 Ų89.460%0.652%0.519SS*.  trans-68.9152.7-164-88.8-171.2174.7165.7-8.2115.8E100E100-R134 VanDerWaalsContact OE1-CD 3.31Å; E100-R134 WeakPolarHBondContact OE1-CD 3.5Å; E100-R134 IonicContact OE1-CZ 3.58Å; E100-R134 IonicContact OE1-NE 2.85Å; E100-R134 IonicContact OE1-NH1 2.78Å; E100-R134 PolarHBondContact OE1-NH1 3.03Å
135V48.8Very low49.9Very low58 Ų5888.8 Ų88.835%0.35251%0.508SS..  trans-112119.2169.9176.40000109.3L10 V41 Q44L10-V135 HydrophobicContact CD1-CG1 3.71Å; L10-V135 HydrophobicContact CG-CG1 4.33Å; V41-V135 HydrophobicContact CG2-CG2 4.48Å; Q44-V135 VanDerWaalsContact NE2-CG1 3.32Å
136T44.1Very low49.6Very low89 Ų8989 Ų8955%0.54650%0.495SS..  trans-136.7127.9169.148.10000111.9
137E43.4Very low48.8Very low173 Ų17388.7 Ų88.781%0.80850%0.496SS*.  trans46.8154.1159.7-64.2-170.1175.600123
138A35.9Very low47.9Very low61 Ų6196.1 Ų96.150%0.50452%0.52SS..  trans-130.8166.1-16100000115
139K40.9Very low47.1Very low179 Ų17997.8 Ų97.878%0.77852%0.517SS*.  trans101.4130.9162.6-61.9-175177.7179.80116.6
140P40.5Very low46.2Very low107 Ų107102 Ų10270%0.69554%0.537SS*.  -117.8170.1889.69.6000113.5
141A41.2Very low45.6Very low103 Ų103105 Ų10585%0.85156%0.555SS**  trans-74.6129178.500000111.1
142L43.6Very low45.8Very low88 Ų88103.8 Ų103.846%0.46155%0.551SS.*  trans-116.5158173.3-77.7153.1000108.9Q52 T144Q52-L142 HydrophobicContact CB-CD1 4.38Å; Q52-L142 HydrophobicContact CG-CD1 3.72Å; Q52-L142 HydrophobicContact CG-CD2 3.93Å; Q52-L142 HydrophobicContact CG-CG 4.44Å; L142-T144 WeakPolarHBondContact O-CG2 3.48Å; L142-T144 PolarHBondContact O-N 2.88Å; L142-T144 VanDerWaalsContact O-N 3.08Å
143D45.5Very low46.5Very low125 Ų125100.9 Ų100.967%0.66854%0.535SS*.  trans-60.3112.3172-176.8-5.1000109.7S145D143-S145 WeakPolarHBondContact OD1-CB 3.37Å; D143-S145 PolarHBondContact OD1-N 3.2Å; D143-S145 PolarHBondContact OD1-OG 3.48Å; D143-S145 VanDerWaalsContact OD1-OG 3.12Å
144T44.7Very low48Very low94 Ų94101 Ų10158%0.57754%0.535SS*.  trans-95.512.8-174.853.70000113.4L142 W146 A147L142-T144 WeakPolarHBondContact O-CG2 3.48Å; L142-T144 PolarHBondContact O-N 2.88Å; L142-T144 VanDerWaalsContact O-N 3.08Å; T144-W146 PolarHBondContact O-N 3.07Å; T144-A147 HydrophobicContact CG2-CB 4.04Å; T144-A147 WeakPolarHBondContact O-CB 3.32Å; T144-A147 PolarHBondContact O-N 3.22Å
145S47.5Very low49.7Very low92 Ų92103.3 Ų103.364%0.64354%0.544SS*.THydrogen-bonded Turntrans-49.7-32.7-175.550.70000113.3D143D143-S145 WeakPolarHBondContact OD1-CB 3.37Å; D143-S145 PolarHBondContact OD1-N 3.2Å; D143-S145 PolarHBondContact OD1-OG 3.48Å; D143-S145 VanDerWaalsContact OD1-OG 3.12Å
146W46.7Very low51.9Low94 Ų94100.7 Ų100.736%0.35653%0.528SS..THydrogen-bonded Turntrans-107.5-2179.364.4-83.3000114.4L47 G48 F51 T144 R148L47-W146 VanDerWaalsContact C-CH2 3.45Å; L47-W146 HydrophobicContact CB-CZ3 4.26Å; L47-W146 HydrophobicContact CG-CZ3 4.12Å; L47-W146 WeakPolarHBondContact O-CH2 3.43Å; L47-W146 WeakPolarHBondContact O-CZ3 3.48Å; G48-W146 VanDerWaalsContact CA-CE3 3.41Å; G48-W146 WeakPolarHBondContact O-CH2 3.23Å; G48-W146 WeakPolarHBondContact O-CZ2 3.44Å; F51-W146 HydrophobicContact CB-CH2 3.25Å; F51-W146 HydrophobicContact CB-CZ2 3.88Å; F51-W146 HydrophobicContact CB-CZ3 4.08Å; F51-W146 HydrophobicContact CD1-CH2 4.36Å; F51-W146 HydrophobicContact CD1-CZ3 4.47Å; F51-W146 HydrophobicContact CD2-CE3 4.25Å; F51-W146 AromaticContact CD2-CH2 3.4Å; F51-W146 HydrophobicContact CD2-CH2 3.4Å; F51-W146 HydrophobicContact CD2-CZ2 4.26Å; F51-W146 AromaticContact CD2-CZ3 3.36Å; F51-W146 HydrophobicContact CD2-CZ3 3.36Å; F51-W146 HydrophobicContact CE2-CH2 4.42Å; F51-W146 AromaticContact CE2-CZ3 3.98Å; F51-W146 HydrophobicContact CE2-CZ3 3.98Å; F51-W146 AromaticContact CG-CH2 3.37Å; F51-W146 HydrophobicContact CG-CH2 3.37Å; F51-W146 HydrophobicContact CG-CZ2 4.36Å; F51-W146 AromaticContact CG-CZ3 3.68Å; F51-W146 HydrophobicContact CG-CZ3 3.68Å; T144-W146 PolarHBondContact O-N 3.07Å; W146-R148 PolarHBondContact O-N 3Å
147A42.6Very low54.4Low17 Ų1796.5 Ų96.514%0.1450%0.502CS..  trans-72.37.4-17400000114.7N46 T144N46-A147 WeakPolarHBondContact ND2-CB 3.3Å; N46-A147 PolarHBondContact ND2-O 3.45Å; T144-A147 HydrophobicContact CG2-CB 4.04Å; T144-A147 WeakPolarHBondContact O-CB 3.32Å; T144-A147 PolarHBondContact O-N 3.22Å
148R38.3Very low56.9Low217 Ų21788.4 Ų88.482%0.81947%0.465SS*.  trans-100.353.2-174-62.3-175-179.6174.11.8112.7W146W146-R148 PolarHBondContact O-N 3Å
149Q41.9Very low59.8Low130 Ų13085.7 Ų85.761%0.60744%0.442SS*.SBendtrans-171.1158.3164.4-109.3148.51000114.7L153Q149-L153 HydrophobicContact CB-CD2 3.85Å; Q149-L153 HydrophobicContact CB-CG 4.27Å; Q149-L153 HydrophobicContact CG-CD2 4.48Å
150E41.1Very low62.3Low174 Ų17478.5 Ų78.581%0.81342%0.419SS*.  trans-60159.3-177.3-65.2179.3157.700113.6L153E150-L153 WeakPolarHBondContact O-CD1 3.48Å
151V48.5Very low64.8Low65 Ų6574.2 Ų74.239%0.39439%0.394SS..SBendtrans-70.7128.4-178.51790000110.5K78K78-V151 HydrophobicContact CB-CG1 3.83Å; K78-V151 HydrophobicContact CG-CG1 3.7Å
152G57.9Low67.3Low26 Ų2670.3 Ų70.327%0.26836%0.36SS..  trans8651.7179.800000114.3F154 A180G152-F154 VanDerWaalsContact C-N 3.28Å; G152-F154 PolarHBondContact O-N 2.94Å; G152-A180 CarbonylContact C-O 3.43Å
153L71.2Confident69.7Low59 Ų5966.2 Ų66.231%0.30934%0.338SS..  trans-55.9-36.3-172.6-7897.2000114.6L47 Q149 E150 A180L47-L153 HydrophobicContact CB-CD1 4.23Å; L47-L153 HydrophobicContact CD2-CD1 3.13Å; L47-L153 HydrophobicContact CG-CD1 4.25Å; Q149-L153 HydrophobicContact CB-CD2 3.85Å; Q149-L153 HydrophobicContact CB-CG 4.27Å; Q149-L153 HydrophobicContact CG-CD2 4.48Å; E150-L153 WeakPolarHBondContact O-CD1 3.48Å; L153-A180 PolarHBondContact N-O 3.24Å; L153-A180 VanDerWaalsContact N-O 3.1Å
154F88.8Confident72Confident12 Ų1260.3 Ų60.35%0.05331%0.307CS..BIsolated β-bridgetrans-113.7134.3-167.3-58-66.3000112G152 A157 A180 A181 S182 C246 E273 L275G152-F154 VanDerWaalsContact C-N 3.28Å; G152-F154 PolarHBondContact O-N 2.94Å; F154-A157 HydrophobicContact CB-CB 4.48Å; F154-A180 HydrophobicContact CD2-CB 4.33Å; F154-A180 PolarHBondContact N-O 2.85Å; F154-A180 VanDerWaalsContact N-O 3.13Å; F154-A181 HydrophobicContact CB-CB 4.46Å; F154-A181 WeakPolarHBondContact O-CA 2.93Å; F154-S182 PolarHBondContact O-N 3.4Å; F154-C246 HydrophobicContact CB-CB 3.88Å; F154-C246 HydrophobicContact CD1-CB 3.39Å; F154-C246 HydrophobicContact CD2-CB 3.67Å; F154-C246 HydrophobicContact CE1-CB 3.74Å; F154-C246 HydrophobicContact CE2-CB 4.02Å; F154-C246 VanDerWaalsContact CE2-SG 3.6Å; F154-C246 HydrophobicContact CG-CB 3.32Å; F154-C246 HydrophobicContact CZ-CB 4.04Å; F154-E273 HydrophobicContact CE1-CB 3.97Å; F154-E273 HydrophobicContact CE1-CG 4.14Å; F154-E273 WeakPolarHBondContact CE1-OE2 3.21Å; F154-E273 HydrophobicContact CZ-CB 4.31Å; F154-E273 HydrophobicContact CZ-CG 4.08Å; F154-L275 HydrophobicContact CE2-CB 4.46Å; F154-L275 HydrophobicContact CE2-CD2 4.17Å
155R91.5Very high74.2Confident206 Ų20657.8 Ų57.878%0.77729%0.288SS*.SBendtrans-70.9-40.2178.1-58.3-176.6-149.2165.58.2109.9K183 D245R155-K183 WeakPolarHBondContact O-CB 3.47Å; R155-K183 PolarHBondContact O-N 3.4Å; R155-K183 VanDerWaalsContact O-N 3.14Å; R155-D245 WeakPolarHBondContact CB-OD2 3.43Å; R155-D245 PolarHBondContact N-OD1 3.32Å; R155-D245 PolarHBondContact N-OD2 2.78Å
156H94.9Very high76.3Confident4 Ų455.1 Ų55.12%0.01927%0.267CS..SBendtrans-148.6100.6-179.1-171.9-168.6000110.9K183 T185 D241 T243 M244 D245H156-K183 WeakPolarHBondContact CA-O 3.39Å; H156-K183 HydrophobicContact CB-CB 4.35Å; H156-T185 PolarHBondContact CE1-OG1 2.85Å; H156-T185 PolarHBondContact NE2-OG1 3.42Å; H156-D241 IonicContact CE1-OD2 3.77Å; H156-D241 PolarHBondContact CE1-OD2 3.32Å; H156-D241 VanDerWaalsContact CE1-OD2 3.25Å; H156-D241 IonicContact ND1-OD2 3.85Å; H156-T243 WeakPolarHBondContact CB-O 3.43Å; H156-T243 PolarHBondContact ND1-OG1 3.05Å; H156-M244 VanDerWaalsContact O-CA 3.29Å; H156-M244 WeakPolarHBondContact O-CA 3.12Å; H156-D245 PolarHBondContact N-OD1 3.21Å; H156-D245 PolarHBondContact O-N 3.37Å
157A95.3Very high78.2Confident0 Ų051.2 Ų51.20%025%0.252CS..EExtended strand (participates in β ladder)trans-90.2150.6174.200000111.5F154 A181 K183 L184 T185 C246 I248F154-A157 HydrophobicContact CB-CB 4.48Å; A157-A181 HydrophobicContact CB-CB 3.52Å; A157-K183 PolarHBondContact N-O 3.35Å; A157-L184 HydrophobicContact CB-CD1 4.07Å; A157-L184 WeakPolarHBondContact O-CA 3.42Å; A157-T185 PolarHBondContact O-N 2.75Å; A157-C246 CarbonylContact C-O 3.56Å; A157-C246 WeakPolarHBondContact CA-O 3.26Å; A157-C246 HydrophobicContact CB-CB 4.14Å; A157-I248 HydrophobicContact CB-CD1 3.83Å; A157-I248 HydrophobicContact CB-CG1 4.11Å
158A96.9Very high80.3Confident4 Ų451.4 Ų51.43%0.03325%0.252CS..EExtended strand (participates in β ladder)trans-110150.5165.600000110.4T185 T238 M244 C246 L247 I248A158-T185 CarbonylContact C-O 3.6Å; A158-T185 VanDerWaalsContact CA-O 3.29Å; A158-T185 WeakPolarHBondContact CA-O 3.47Å; A158-T238 HydrophobicContact CB-CG2 4.1Å; A158-M244 HydrophobicContact CB-CE 4.2Å; A158-M244 HydrophobicContact CB-SD 3.73Å; A158-C246 PolarHBondContact N-O 2.92Å; A158-L247 HydrophobicContact CB-CD1 3.94Å; A158-L247 WeakPolarHBondContact O-CA 3.39Å; A158-I248 PolarHBondContact O-N 2.93Å
159I96.2Very high82.6Confident3 Ų341.5 Ų41.52%0.01522%0.217CC..EExtended strand (participates in β ladder)trans-143.3134.9172.1-177.8177.4000108.6F163 L173 A177 L184 T185 I186 G187 I248I159-F163 HydrophobicContact CD1-CE1 4.48Å; I159-F163 HydrophobicContact CD1-CZ 4.13Å; I159-F163 HydrophobicContact CG1-CZ 4.16Å; I159-L173 HydrophobicContact CD1-CD1 4.4Å; I159-L173 HydrophobicContact CD1-CD2 3.6Å; I159-L173 HydrophobicContact CD1-CG 3.52Å; I159-L173 HydrophobicContact CG1-CD2 4.37Å; I159-A177 HydrophobicContact CD1-CB 4.3Å; I159-L184 HydrophobicContact CB-CD1 4.49Å; I159-L184 HydrophobicContact CG2-CD1 3.82Å; I159-L184 HydrophobicContact CG2-CD2 4.32Å; I159-L184 HydrophobicContact CG2-CG 4.2Å; I159-T185 PolarHBondContact N-O 2.95Å; I159-I186 HydrophobicContact CG2-CB 4.12Å; I159-I186 HydrophobicContact CG2-CG1 3.74Å; I159-I186 HydrophobicContact CG2-CG2 4.1Å; I159-I186 CarbonylContact O-C 3.57Å; I159-I186 WeakPolarHBondContact O-CA 3.32Å; I159-G187 PolarHBondContact O-N 3.2Å; I159-I248 HydrophobicContact CB-CB 4.24Å; I159-I248 HydrophobicContact CD1-CG2 4.37Å; I159-I248 HydrophobicContact CG1-CB 4.42Å
160G94.2Very high85Confident29 Ų2935.9 Ų35.930%0.29919%0.191SC..EExtended strand (participates in β ladder)trans-117.6142.7179.400000111.8G187G160-G187 WeakPolarHBondContact CA-O 3.4Å
161G93.1Very high87.4Confident17 Ų1728.9 Ų28.918%0.17516%0.158CC..EExtended strand (participates in β ladder)trans-175.8169.3178.400000114.7F163 G187 S189G161-F163 VanDerWaalsContact O-CD2 3.32Å; G161-F163 WeakPolarHBondContact O-CD2 3.49Å; G161-G187 PolarHBondContact N-O 3.04Å; G161-S189 PolarHBondContact O-N 3.27Å; G161-S189 PolarHBondContact O-OG 3.33Å
162T92.4Very high89.4Confident21 Ų2126 Ų2613%0.12914%0.14CC..  trans-73.1-37.1172.5590000111.2D164 L194 R209T162-D164 PolarHBondContact O-N 3.02Å; T162-L194 HydrophobicContact CG2-CD2 4.02Å; T162-R209 WeakPolarHBondContact O-CD 3.43Å; T162-R209 PolarHBondContact O-NH1 2.95Å
163F94.4Very high91Very high1 Ų125.3 Ų25.30%0.00413%0.13CC..  trans48.135.1-178.1-57.3-70.2000113I159 G161 L166 H170 L174 I186 V188 R209 I213I159-F163 HydrophobicContact CD1-CE1 4.48Å; I159-F163 HydrophobicContact CD1-CZ 4.13Å; I159-F163 HydrophobicContact CG1-CZ 4.16Å; G161-F163 VanDerWaalsContact O-CD2 3.32Å; G161-F163 WeakPolarHBondContact O-CD2 3.49Å; F163-L166 HydrophobicContact CB-CD2 4.06Å; F163-L166 HydrophobicContact CD1-CD2 4.27Å; F163-H170 HydrophobicContact CD1-CB 4.35Å; F163-H170 AromaticContact CD1-CD2 3.98Å; F163-L174 HydrophobicContact CD1-CD1 4.32Å; F163-L174 HydrophobicContact CD1-CG 4.5Å; F163-L174 HydrophobicContact CE1-CD1 4.34Å; F163-L174 HydrophobicContact CE1-CD2 3.82Å; F163-L174 HydrophobicContact CE1-CG 4.03Å; F163-L174 HydrophobicContact CZ-CD2 4.27Å; F163-I186 HydrophobicContact CD2-CG2 4.03Å; F163-I186 HydrophobicContact CE2-CG2 3.36Å; F163-I186 HydrophobicContact CZ-CG2 3.68Å; F163-V188 HydrophobicContact CD2-CG2 4.18Å; F163-R209 WeakPolarHBondContact O-CG 3.38Å; F163-I213 HydrophobicContact CB-CD1 3.63Å; F163-I213 HydrophobicContact CB-CG1 4.07Å; F163-I213 HydrophobicContact CD1-CD1 4.38Å; F163-I213 HydrophobicContact CD2-CD1 3.83Å; F163-I213 HydrophobicContact CG-CD1 3.69Å; F163-I213 HydrophobicContact CG-CG1 4.22Å
164D93.6Very high92.2Very high1 Ų122.5 Ų22.51%0.00512%0.116CC..  trans-81130.4-179.4177.641.7000110.5T162 H170 V203 E204 R298T162-D164 PolarHBondContact O-N 3.02Å; D164-H170 PolarHBondContact N-CE1 3.46Å; D164-H170 PolarHBondContact O-CE1 2.93Å; D164-H170 VanDerWaalsContact O-CE1 3.25Å; D164-V203 HydrophobicContact CB-CG1 4.01Å; D164-V203 VanDerWaalsContact OD1-CA 3.29Å; D164-V203 WeakPolarHBondContact OD1-CA 3.44Å; D164-E204 PolarHBondContact OD1-N 3.26Å; D164-R298 WeakPolarHBondContact OD2-CD 3.32Å; D164-R298 WeakPolarHBondContact OD2-CG 3.47Å; D164-R298 IonicContact OD2-NE 3.12Å; D164-R298 PolarHBondContact OD2-NE 3.19Å
165H92Very high92.4Very high41 Ų4121.9 Ų21.919%0.1911%0.113CC..SBendtrans44.469.8-178.4-6783.9000110.7H167 L202 E204 K297 M301H165-H167 PolarHBondContact O-N 3.42Å; H165-L202 PolarHBondContact CE1-O 2.86Å; H165-E204 WeakPolarHBondContact CA-OE2 3.27Å; H165-E204 IonicContact CD2-OE1 2.67Å; H165-E204 PolarHBondContact N-OE2 3.3Å; H165-E204 VanDerWaalsContact N-OE2 3.09Å; H165-K297 HydrophobicContact CB-CB 4.09Å; H165-K297 HydrophobicContact CB-CG 4.39Å; H165-M301 VanDerWaalsContact CE1-SD 3.55Å; H165-M301 WeakPolarHBondContact NE2-CE 3.4Å; H165-M301 PolarHBondContact NE2-SD 3.44Å; H165-M301 VanDerWaalsContact NE2-SD 3.41Å
166L91.4Very high92.4Very high37 Ų3712.1 Ų12.119%0.1948%0.076CC..  trans-40.7127.8-174.8-75-169.2000111.4F163 H170 L174 N212 I213 F216F163-L166 HydrophobicContact CB-CD2 4.06Å; F163-L166 HydrophobicContact CD1-CD2 4.27Å; L166-H170 HydrophobicContact CD2-CB 3.67Å; L166-L174 HydrophobicContact CD2-CD1 4.26Å; L166-N212 VanDerWaalsContact CD1-C 3.44Å; L166-N212 HydrophobicContact CD1-CB 3.74Å; L166-N212 WeakPolarHBondContact CD1-O 3.45Å; L166-N212 HydrophobicContact CG-CB 3.99Å; L166-I213 HydrophobicContact CD1-CG1 4.37Å; L166-I213 HydrophobicContact CD2-CG1 4.31Å; L166-F216 HydrophobicContact CD1-CB 4.1Å
167H87.1Confident92.3Very high11 Ų1111.9 Ų11.95%0.0518%0.075CC..  trans-144172.6-170.560.550000108.9H165 G169 H170 E171 S293 S294H165-H167 PolarHBondContact O-N 3.42Å; H167-G169 VanDerWaalsContact C-N 3.28Å; H167-G169 PolarHBondContact ND1-N 3.35Å; H167-G169 PolarHBondContact O-N 3.2Å; H167-H170 AromaticContact CD2-CE1 3.73Å; H167-H170 AromaticContact CD2-ND1 3.54Å; H167-H170 AromaticContact CE1-CD2 3.82Å; H167-H170 AromaticContact CE1-CE1 3.67Å; H167-H170 AromaticContact CE1-CG 3.5Å; H167-H170 PolarHBondContact CE1-N 3.44Å; H167-H170 VanDerWaalsContact CE1-N 3.29Å; H167-H170 AromaticContact CE1-ND1 3.42Å; H167-H170 PolarHBondContact CE1-ND1 2.91Å; H167-H170 AromaticContact CE1-NE2 3.93Å; H167-H170 AromaticContact CG-ND1 3.86Å; H167-H170 AromaticContact ND1-CG 3.89Å; H167-H170 PolarHBondContact ND1-N 3Å; H167-H170 VanDerWaalsContact ND1-N 3.19Å; H167-H170 AromaticContact ND1-ND1 3.77Å; H167-H170 AromaticContact NE2-CE1 3.23Å; H167-H170 PolarHBondContact NE2-CE1 3.23Å; H167-H170 AromaticContact NE2-CG 3.86Å; H167-H170 AromaticContact NE2-ND1 3.31Å; H167-H170 PolarHBondContact NE2-ND1 3.4Å; H167-H170 AromaticContact NE2-NE2 3.75Å; H167-H170 PolarHBondContact O-N 2.88Å; H167-E171 WeakPolarHBondContact O-CG 3.47Å; H167-E171 PolarHBondContact O-N 3.06Å; H167-S293 PolarHBondContact CD2-OG 3.17Å; H167-S293 PolarHBondContact CE1-OG 2.92Å; H167-S293 PolarHBondContact ND1-OG 3.09Å; H167-S293 PolarHBondContact NE2-OG 3.41Å; H167-S294 PolarHBondContact CD2-N 3.18Å; H167-S294 PolarHBondContact NE2-N 3.26Å; H167-S294 PolarHBondContact NE2-OG 3.18Å
168V86Confident92.2Very high22 Ų2211.9 Ų11.913%0.1338%0.075CC..Hα-helixtrans-42.9-46.3-177.668.90000114.9Y58 E171 M172 I282Y58-V168 HydrophobicContact CD1-CG2 3.72Å; Y58-V168 HydrophobicContact CG-CG2 4.1Å; Y58-V168 WeakPolarHBondContact O-CG2 3.38Å; V168-E171 PolarHBondContact O-N 3.06Å; V168-M172 WeakPolarHBondContact O-CB 3.46Å; V168-M172 PolarHBondContact O-N 3.04Å; V168-I282 HydrophobicContact CG1-CD1 3.81Å; V168-I282 HydrophobicContact CG2-CD1 4.48Å
169G86.5Confident91.9Very high9 Ų911.8 Ų11.89%0.0937%0.074CC..Hα-helixtrans-62.9-43.9176.900000114.8H167 L173H167-G169 VanDerWaalsContact C-N 3.28Å; H167-G169 PolarHBondContact ND1-N 3.35Å; H167-G169 PolarHBondContact O-N 3.2Å; G169-L173 WeakPolarHBondContact O-CB 3.46Å; G169-L173 PolarHBondContact O-N 2.88Å
170H91.5Very high91.5Very high12 Ų1211.7 Ų11.76%0.0567%0.073CC..Hα-helixtrans-68.3-42.1175-65.1142.2000111F163 D164 L166 H167 M172 L173 L174 S294F163-H170 HydrophobicContact CD1-CB 4.35Å; F163-H170 AromaticContact CD1-CD2 3.98Å; D164-H170 PolarHBondContact N-CE1 3.46Å; D164-H170 PolarHBondContact O-CE1 2.93Å; D164-H170 VanDerWaalsContact O-CE1 3.25Å; L166-H170 HydrophobicContact CD2-CB 3.67Å; H167-H170 AromaticContact CD2-CE1 3.73Å; H167-H170 AromaticContact CD2-ND1 3.54Å; H167-H170 AromaticContact CE1-CD2 3.82Å; H167-H170 AromaticContact CE1-CE1 3.67Å; H167-H170 AromaticContact CE1-CG 3.5Å; H167-H170 PolarHBondContact CE1-N 3.44Å; H167-H170 VanDerWaalsContact CE1-N 3.29Å; H167-H170 AromaticContact CE1-ND1 3.42Å; H167-H170 PolarHBondContact CE1-ND1 2.91Å; H167-H170 AromaticContact CE1-NE2 3.93Å; H167-H170 AromaticContact CG-ND1 3.86Å; H167-H170 AromaticContact ND1-CG 3.89Å; H167-H170 PolarHBondContact ND1-N 3Å; H167-H170 VanDerWaalsContact ND1-N 3.19Å; H167-H170 AromaticContact ND1-ND1 3.77Å; H167-H170 AromaticContact NE2-CE1 3.23Å; H167-H170 PolarHBondContact NE2-CE1 3.23Å; H167-H170 AromaticContact NE2-CG 3.86Å; H167-H170 AromaticContact NE2-ND1 3.31Å; H167-H170 PolarHBondContact NE2-ND1 3.4Å; H167-H170 AromaticContact NE2-NE2 3.75Å; H167-H170 PolarHBondContact O-N 2.88Å; H170-M172 VanDerWaalsContact C-N 3.34Å; H170-M172 PolarHBondContact O-N 3.5Å; H170-L173 PolarHBondContact O-N 3.13Å; H170-L174 WeakPolarHBondContact O-CB 3.45Å; H170-L174 VanDerWaalsContact O-CG 3.29Å; H170-L174 WeakPolarHBondContact O-CG 3.45Å; H170-L174 PolarHBondContact O-N 3.38Å; H170-S294 PolarHBondContact CE1-OG 3.36Å; H170-S294 PolarHBondContact NE2-OG 2.77Å
171E91.9Very high91.3Very high26 Ų2610.3 Ų10.312%0.1216%0.059CC..Hα-helixtrans-60.4-44.6178.4-66.1-178.5156.900110.8Y58 H167 V168 T175 F216Y58-E171 HydrophobicContact CE1-CB 3.81Å; H167-E171 WeakPolarHBondContact O-CG 3.47Å; H167-E171 PolarHBondContact O-N 3.06Å; V168-E171 PolarHBondContact O-N 3.06Å; E171-T175 VanDerWaalsContact O-CB 3.24Å; E171-T175 WeakPolarHBondContact O-CB 3.42Å; E171-T175 PolarHBondContact O-N 3.27Å; E171-T175 PolarHBondContact O-OG1 3.09Å; E171-F216 HydrophobicContact CB-CE1 4.38Å; E171-F216 HydrophobicContact CB-CE2 3.72Å; E171-F216 HydrophobicContact CB-CZ 3.56Å; E171-F216 HydrophobicContact CG-CD2 4.04Å; E171-F216 HydrophobicContact CG-CE2 3.5Å; E171-F216 VanDerWaalsContact CG-CE2 3.5Å; E171-F216 HydrophobicContact CG-CZ 3.85Å
172M90.4Very high91.1Very high4 Ų413.1 Ų13.12%0.028%0.077CC..Hα-helixtrans-58.6-51.3172.4179.1178.9165.700111.5V54 R55 Y58 V168 H170 L174 T175 C176 I277 D278 L280V54-M172 HydrophobicContact CG1-CG 4.2Å; R55-M172 HydrophobicContact CB-CE 3.68Å; R55-M172 HydrophobicContact CB-SD 4.49Å; R55-M172 HydrophobicContact CG-CE 3.63Å; R55-M172 HydrophobicContact CG-SD 4.31Å; Y58-M172 HydrophobicContact CD2-CB 3.57Å; Y58-M172 HydrophobicContact CD2-CG 3.99Å; Y58-M172 HydrophobicContact CE2-CB 4.09Å; Y58-M172 HydrophobicContact CG-CB 4.04Å; V168-M172 WeakPolarHBondContact O-CB 3.46Å; V168-M172 PolarHBondContact O-N 3.04Å; H170-M172 VanDerWaalsContact C-N 3.34Å; H170-M172 PolarHBondContact O-N 3.5Å; M172-L174 PolarHBondContact O-N 3.47Å; M172-T175 PolarHBondContact O-N 2.92Å; M172-C176 WeakPolarHBondContact O-CB 3.47Å; M172-C176 PolarHBondContact O-N 3.37Å; M172-C176 PolarHBondContact O-SG 3.14Å; M172-I277 HydrophobicContact CE-CG2 4.03Å; M172-D278 WeakPolarHBondContact CE-O 3.48Å; M172-L280 HydrophobicContact SD-CD1 3.87Å; M172-L280 HydrophobicContact SD-CG 3.86Å
173L91.8Very high91.2Very high12 Ų1215.9 Ų15.96%0.0639%0.087CC..Hα-helixtrans-60.4-45.3-178-167.168.2000111.9I159 G169 H170 A177 I248 I277 L279I159-L173 HydrophobicContact CD1-CD1 4.4Å; I159-L173 HydrophobicContact CD1-CD2 3.6Å; I159-L173 HydrophobicContact CD1-CG 3.52Å; I159-L173 HydrophobicContact CG1-CD2 4.37Å; G169-L173 WeakPolarHBondContact O-CB 3.46Å; G169-L173 PolarHBondContact O-N 2.88Å; H170-L173 PolarHBondContact O-N 3.13Å; L173-A177 WeakPolarHBondContact O-CB 3.44Å; L173-A177 PolarHBondContact O-N 3.32Å; L173-I248 HydrophobicContact CD1-CG2 4.41Å; L173-I277 HydrophobicContact CD1-CB 3.77Å; L173-I277 HydrophobicContact CD1-CD1 3.63Å; L173-I277 HydrophobicContact CD1-CG1 4.27Å; L173-I277 HydrophobicContact CD1-CG2 4.06Å; L173-L279 HydrophobicContact CB-CD2 4.1Å; L173-L279 HydrophobicContact CD1-CD2 4.09Å
174L95.3Very high91.3Very high0 Ų015.9 Ų15.90%09%0.087CC..Hα-helixtrans-66.9-38.2176.1-71.1171.5000112.1F163 L166 H170 M172 A177 A178 I186 I213 F216 L217F163-L174 HydrophobicContact CD1-CD1 4.32Å; F163-L174 HydrophobicContact CD1-CG 4.5Å; F163-L174 HydrophobicContact CE1-CD1 4.34Å; F163-L174 HydrophobicContact CE1-CD2 3.82Å; F163-L174 HydrophobicContact CE1-CG 4.03Å; F163-L174 HydrophobicContact CZ-CD2 4.27Å; L166-L174 HydrophobicContact CD2-CD1 4.26Å; H170-L174 WeakPolarHBondContact O-CB 3.45Å; H170-L174 VanDerWaalsContact O-CG 3.29Å; H170-L174 WeakPolarHBondContact O-CG 3.45Å; H170-L174 PolarHBondContact O-N 3.38Å; M172-L174 PolarHBondContact O-N 3.47Å; L174-A177 PolarHBondContact O-N 3.29Å; L174-A178 WeakPolarHBondContact O-CB 3.25Å; L174-A178 PolarHBondContact O-N 3.18Å; L174-I186 HydrophobicContact CD2-CG1 4.43Å; L174-I213 HydrophobicContact CD1-CG1 4.47Å; L174-I213 HydrophobicContact CD1-CG2 4.42Å; L174-I213 HydrophobicContact CD2-CG2 4.43Å; L174-F216 HydrophobicContact CB-CD1 4.05Å; L174-F216 HydrophobicContact CB-CE1 3.75Å; L174-F216 HydrophobicContact CD1-CD1 3.92Å; L174-F216 HydrophobicContact CD1-CE1 4.32Å; L174-L217 HydrophobicContact CB-CD2 4.22Å; L174-L217 HydrophobicContact CD2-CD1 4.42Å
175T94Very high91.6Very high0 Ų016.1 Ų16.10%09%0.088CC..Hα-helixtrans-63.8-48176.1-56.10000110.6V54 Y58 I72 T74 E171 M172 A177 A178 L179 I220V54-T175 HydrophobicContact CG1-CG2 3.89Å; V54-T175 HydrophobicContact CG2-CG2 3.92Å; Y58-T175 HydrophobicContact CE2-CG2 4.41Å; Y58-T175 PolarHBondContact OH-OG1 3.34Å; I72-T175 HydrophobicContact CB-CG2 4.22Å; T74-T175 HydrophobicContact CG2-CG2 3.87Å; E171-T175 VanDerWaalsContact O-CB 3.24Å; E171-T175 WeakPolarHBondContact O-CB 3.42Å; E171-T175 PolarHBondContact O-N 3.27Å; E171-T175 PolarHBondContact O-OG1 3.09Å; M172-T175 PolarHBondContact O-N 2.92Å; T175-A177 VanDerWaalsContact C-N 3.33Å; T175-A177 PolarHBondContact O-N 3.4Å; T175-A178 PolarHBondContact O-N 2.91Å; T175-L179 HydrophobicContact CG2-CD1 4.45Å; T175-L179 WeakPolarHBondContact O-CG 3.48Å; T175-L179 PolarHBondContact O-N 2.84Å; T175-I220 HydrophobicContact CG2-CD1 4.33Å
176C91.9Very high91.9Very high0 Ų014.1 Ų14.10%08%0.079CC..Hα-helixtrans-63.6-38.3176.3-72.40000111.9F51 M172 L179 A180 I277F51-C176 HydrophobicContact CD1-CB 4.18Å; F51-C176 HydrophobicContact CE1-CB 4Å; F51-C176 HydrophobicContact CZ-CB 4.18Å; M172-C176 WeakPolarHBondContact O-CB 3.47Å; M172-C176 PolarHBondContact O-N 3.37Å; M172-C176 PolarHBondContact O-SG 3.14Å; C176-L179 WeakPolarHBondContact O-CB 3.39Å; C176-L179 PolarHBondContact O-N 3.33Å; C176-A180 WeakPolarHBondContact O-CB 3.45Å; C176-A180 PolarHBondContact O-N 3.4Å; C176-I277 HydrophobicContact CB-CD1 3.4Å; C176-I277 VanDerWaalsContact CB-CD1 3.4Å; C176-I277 HydrophobicContact CB-CG1 4.2Å
177A93.2Very high92.2Very high0 Ų012.7 Ų12.70%07%0.073CC..Hα-helixtrans-63-44.7174.600000112.7I159 L173 L174 T175 L179 A180 A181 L184 I248I159-A177 HydrophobicContact CD1-CB 4.3Å; L173-A177 WeakPolarHBondContact O-CB 3.44Å; L173-A177 PolarHBondContact O-N 3.32Å; L174-A177 PolarHBondContact O-N 3.29Å; T175-A177 VanDerWaalsContact C-N 3.33Å; T175-A177 PolarHBondContact O-N 3.4Å; A177-L179 PolarHBondContact O-N 3.49Å; A177-A180 PolarHBondContact O-N 2.99Å; A177-A181 PolarHBondContact O-N 3.08Å; A177-L184 HydrophobicContact CB-CD1 4.02Å; A177-L184 HydrophobicContact CB-CD2 3.91Å; A177-I248 HydrophobicContact CB-CD1 3.53Å
178A92.6Very high92.7Very high0 Ų012.1 Ų12.10%07%0.07CC..Hα-helixtrans-62.1-32.3174.700000112.5T74 K78 L174 T175 L217 I220 A221 L224T74-A178 HydrophobicContact CG2-CB 4.01Å; K78-A178 WeakPolarHBondContact CE-O 3.47Å; K78-A178 PolarHBondContact NZ-O 2.84Å; L174-A178 WeakPolarHBondContact O-CB 3.25Å; L174-A178 PolarHBondContact O-N 3.18Å; T175-A178 PolarHBondContact O-N 2.91Å; A178-L217 HydrophobicContact CB-CD2 4.18Å; A178-I220 HydrophobicContact CB-CD1 4.48Å; A178-A221 HydrophobicContact CB-CB 4.05Å; A178-L224 HydrophobicContact CB-CD2 3.73Å
179L89.6Confident93.1Very high2 Ų211.8 Ų11.81%0.017%0.069CC..Hα-helixtrans-72.7-39.6174.3-72.8171.4000113.2L47 A50 F51 V54 T74 L77 K78 T175 C176 A177L47-L179 HydrophobicContact CD1-CB 4.08Å; A50-L179 HydrophobicContact CB-CD1 4.44Å; F51-L179 HydrophobicContact CD1-CB 4.48Å; F51-L179 HydrophobicContact CD1-CD1 4.12Å; F51-L179 HydrophobicContact CE1-CB 3.84Å; F51-L179 HydrophobicContact CE1-CD1 4.28Å; V54-L179 HydrophobicContact CG2-CD1 3.73Å; T74-L179 HydrophobicContact CG2-CD2 3.98Å; T74-L179 HydrophobicContact CG2-CG 3.91Å; L77-L179 HydrophobicContact CB-CD2 3.65Å; L77-L179 HydrophobicContact CD1-CD1 3.84Å; L77-L179 HydrophobicContact CD1-CD2 4.04Å; L77-L179 HydrophobicContact CG-CD2 4.45Å; K78-L179 WeakPolarHBondContact CE-O 3.39Å; K78-L179 HydrophobicContact CG-CD2 4.13Å; T175-L179 HydrophobicContact CG2-CD1 4.45Å; T175-L179 WeakPolarHBondContact O-CG 3.48Å; T175-L179 PolarHBondContact O-N 2.84Å; C176-L179 WeakPolarHBondContact O-CB 3.39Å; C176-L179 PolarHBondContact O-N 3.33Å; A177-L179 PolarHBondContact O-N 3.49Å
180A88.8Confident93.4Very high0 Ų016 Ų160%08%0.083CC..Hα-helixtrans-73.2-29.9-175.500000114.4F51 G152 L153 F154 C176 A177 I248 L275F51-A180 HydrophobicContact CZ-CB 4.13Å; G152-A180 CarbonylContact C-O 3.43Å; L153-A180 PolarHBondContact N-O 3.24Å; L153-A180 VanDerWaalsContact N-O 3.1Å; F154-A180 HydrophobicContact CD2-CB 4.33Å; F154-A180 PolarHBondContact N-O 2.85Å; F154-A180 VanDerWaalsContact N-O 3.13Å; C176-A180 WeakPolarHBondContact O-CB 3.45Å; C176-A180 PolarHBondContact O-N 3.4Å; A177-A180 PolarHBondContact O-N 2.99Å; A180-I248 HydrophobicContact CB-CD1 4.26Å; A180-L275 HydrophobicContact CB-CD2 3.8Å
181A90.1Very high93.3Very high0 Ų016.5 Ų16.50%09%0.091CC..BIsolated β-bridgetrans-123.6151.9-166.800000114K78 F154 A157 A177 K183 L224K78-A181 PolarHBondContact NZ-O 2.77Å; F154-A181 HydrophobicContact CB-CB 4.46Å; F154-A181 WeakPolarHBondContact O-CA 2.93Å; A157-A181 HydrophobicContact CB-CB 3.52Å; A177-A181 PolarHBondContact O-N 3.08Å; A181-K183 WeakPolarHBondContact CB-O 3.15Å; A181-L224 WeakPolarHBondContact O-CD1 3.31Å
182S89.4Confident92.9Very high77 Ų7722.8 Ų22.854%0.53812%0.12SC..SBendtrans-86.6-28.2171.4-61.40000112.6F154F154-S182 PolarHBondContact O-N 3.4Å
183K94.3Very high92.7Very high79 Ų7924.7 Ų24.734%0.34313%0.13SC..EExtended strand (participates in β ladder)trans-133140.3171.6-175.6-176.2172.5-168.80109.8R155 H156 A157 A181 S225R155-K183 WeakPolarHBondContact O-CB 3.47Å; R155-K183 PolarHBondContact O-N 3.4Å; R155-K183 VanDerWaalsContact O-N 3.14Å; H156-K183 WeakPolarHBondContact CA-O 3.39Å; H156-K183 HydrophobicContact CB-CB 4.35Å; A157-K183 PolarHBondContact N-O 3.35Å; A181-K183 WeakPolarHBondContact CB-O 3.15Å; K183-S225 CarbonylContact C-O 3.5Å; K183-S225 WeakPolarHBondContact CA-O 3.28Å
184L96.6Very high92.6Very high0 Ų024.9 Ų24.90%013%0.131CC..EExtended strand (participates in β ladder)trans-128127-178.5-172.365.2000112.3A157 I159 A177 I186 L217 L224 S225 F226 T227A157-L184 HydrophobicContact CB-CD1 4.07Å; A157-L184 WeakPolarHBondContact O-CA 3.42Å; I159-L184 HydrophobicContact CB-CD1 4.49Å; I159-L184 HydrophobicContact CG2-CD1 3.82Å; I159-L184 HydrophobicContact CG2-CD2 4.32Å; I159-L184 HydrophobicContact CG2-CG 4.2Å; A177-L184 HydrophobicContact CB-CD1 4.02Å; A177-L184 HydrophobicContact CB-CD2 3.91Å; L184-I186 HydrophobicContact CB-CD1 4.29Å; L184-I186 HydrophobicContact CD2-CD1 3.77Å; L184-I186 HydrophobicContact CD2-CG1 3.84Å; L184-I186 HydrophobicContact CG-CD1 3.73Å; L184-I186 HydrophobicContact CG-CG1 3.92Å; L184-L217 HydrophobicContact CD2-CD1 4.27Å; L184-L224 HydrophobicContact CB-CD2 4.35Å; L184-L224 HydrophobicContact CD2-CD2 4.42Å; L184-S225 PolarHBondContact N-O 2.95Å; L184-F226 HydrophobicContact CB-CB 3.9Å; L184-F226 CarbonylContact O-C 3.51Å; L184-F226 WeakPolarHBondContact O-CA 3.37Å; L184-F226 WeakPolarHBondContact O-CB 3.48Å; L184-T227 PolarHBondContact O-N 3.14Å
185T98.2Very high91.9Very high6 Ų630.2 Ų30.24%0.03715%0.152CC..EExtended strand (participates in β ladder)trans-105118.7166.2-68.30000109.7H156 A157 A158 I159 T227 V229 P237 M244H156-T185 PolarHBondContact CE1-OG1 2.85Å; H156-T185 PolarHBondContact NE2-OG1 3.42Å; A157-T185 PolarHBondContact O-N 2.75Å; A158-T185 CarbonylContact C-O 3.6Å; A158-T185 VanDerWaalsContact CA-O 3.29Å; A158-T185 WeakPolarHBondContact CA-O 3.47Å; I159-T185 PolarHBondContact N-O 2.95Å; T185-T227 HydrophobicContact CG2-CG2 4.27Å; T185-V229 HydrophobicContact CG2-CB 4.49Å; T185-V229 HydrophobicContact CG2-CG2 3.89Å; T185-P237 HydrophobicContact CG2-CG 3.88Å; T185-M244 HydrophobicContact CG2-CE 3.68Å
186I98.4Very high91.2Very high0 Ų033.9 Ų33.90%019%0.19CC..EExtended strand (participates in β ladder)trans-102.2107.4-179.1-54.991.4000109.3I159 F163 L174 L184 V188 I213 L217 F226 T227 C228 V229I159-I186 HydrophobicContact CG2-CB 4.12Å; I159-I186 HydrophobicContact CG2-CG1 3.74Å; I159-I186 HydrophobicContact CG2-CG2 4.1Å; I159-I186 CarbonylContact O-C 3.57Å; I159-I186 WeakPolarHBondContact O-CA 3.32Å; F163-I186 HydrophobicContact CD2-CG2 4.03Å; F163-I186 HydrophobicContact CE2-CG2 3.36Å; F163-I186 HydrophobicContact CZ-CG2 3.68Å; L174-I186 HydrophobicContact CD2-CG1 4.43Å; L184-I186 HydrophobicContact CB-CD1 4.29Å; L184-I186 HydrophobicContact CD2-CD1 3.77Å; L184-I186 HydrophobicContact CD2-CG1 3.84Å; L184-I186 HydrophobicContact CG-CD1 3.73Å; L184-I186 HydrophobicContact CG-CG1 3.92Å; I186-V188 HydrophobicContact CG2-CG2 4.03Å; I186-V188 PolarHBondContact O-N 3.29Å; I186-I213 HydrophobicContact CG2-CD1 4.21Å; I186-I213 HydrophobicContact CG2-CG2 4.47Å; I186-L217 HydrophobicContact CD1-CD1 3.81Å; I186-L217 HydrophobicContact CG1-CD1 4.33Å; I186-F226 HydrophobicContact CD1-CB 3.86Å; I186-F226 HydrophobicContact CD1-CD2 3.76Å; I186-F226 HydrophobicContact CD1-CG 4.22Å; I186-T227 WeakPolarHBondContact CD1-O 3.43Å; I186-T227 PolarHBondContact N-O 3.42Å; I186-C228 CarbonylContact O-C 3.55Å; I186-C228 WeakPolarHBondContact O-CA 3.35Å; I186-V229 PolarHBondContact O-N 2.97Å
187G97.4Very high90.9Very high6 Ų638.5 Ų38.56%0.06221%0.211CC..EExtended strand (participates in β ladder)trans-76.1112.1171.300000111.5I159 G160 G161 V229I159-G187 PolarHBondContact O-N 3.2Å; G160-G187 WeakPolarHBondContact CA-O 3.4Å; G161-G187 PolarHBondContact N-O 3.04Å; G187-V229 CarbonylContact C-O 3.58Å; G187-V229 VanDerWaalsContact CA-O 3.3Å; G187-V229 WeakPolarHBondContact CA-O 3.37Å
188V97.6Very high90.8Very high0 Ų039.1 Ų39.10%021%0.213CC..EExtended strand (participates in β ladder)trans-104.2111.9-177.2-1740000109.8F163 I186 L206 R209 V210 I213 C228 V229 P230 I231F163-V188 HydrophobicContact CD2-CG2 4.18Å; I186-V188 HydrophobicContact CG2-CG2 4.03Å; I186-V188 PolarHBondContact O-N 3.29Å; V188-L206 HydrophobicContact CB-CD1 3.98Å; V188-L206 HydrophobicContact CG1-CD1 3.52Å; V188-R209 HydrophobicContact CG1-CB 4.36Å; V188-V210 HydrophobicContact CB-CG2 4.39Å; V188-V210 HydrophobicContact CG1-CG2 4.35Å; V188-V210 HydrophobicContact CG2-CG2 4.15Å; V188-I213 HydrophobicContact CG1-CD1 4.48Å; V188-I213 HydrophobicContact CG2-CD1 3.57Å; V188-C228 HydrophobicContact CG2-CB 4.22Å; V188-V229 PolarHBondContact N-O 3.34Å; V188-P230 WeakPolarHBondContact O-CA 3.49Å; V188-I231 PolarHBondContact O-N 2.75Å
189S95Very high90.7Very high15 Ų1539.1 Ų39.111%0.10521%0.213CC..EExtended strand (participates in β ladder)trans-62.7138.3-174.3-55.40000112.6G161 R209 I231G161-S189 PolarHBondContact O-N 3.27Å; G161-S189 PolarHBondContact O-OG 3.33Å; S189-R209 VanDerWaalsContact O-CZ 3.26Å; S189-R209 PolarHBondContact O-NH1 2.97Å; S189-R209 PolarHBondContact O-NH2 2.98Å; S189-I231 CarbonylContact C-O 3.55Å; S189-I231 WeakPolarHBondContact CA-O 3.44Å
190Y94Very high90.7Very high97 Ų9740.1 Ų40.138%0.3822%0.218SC..  trans-146.8171.4171.877.5-76.5000111.3E192 L206 P230 I231 A232Y190-E192 PolarHBondContact O-N 3.43Å; Y190-L206 HydrophobicContact CD1-CD2 4.47Å; Y190-L206 HydrophobicContact CG-CD2 4.17Å; Y190-P230 HydrophobicContact CD1-CB 3.53Å; Y190-P230 HydrophobicContact CE1-CB 3.42Å; Y190-P230 VanDerWaalsContact CE1-CB 3.42Å; Y190-P230 HydrophobicContact CG-CB 4.45Å; Y190-I231 VanDerWaalsContact CD1-C 3.42Å; Y190-I231 WeakPolarHBondContact CD1-O 3.44Å; Y190-I231 VanDerWaalsContact CE1-C 3.4Å; Y190-I231 PolarHBondContact N-O 3.35Å; Y190-A232 HydrophobicContact CD1-CB 4.36Å; Y190-A232 HydrophobicContact CE1-CB 3.73Å; Y190-A232 HydrophobicContact CE2-CB 4.25Å
191G88.2Confident90.8Very high22 Ų2241 Ų4123%0.22723%0.226CC..THydrogen-bonded Turntrans60.6-131.1177.100000112.7L193 L194G191-L193 PolarHBondContact O-N 2.9Å; G191-L193 VanDerWaalsContact O-N 3.13Å; G191-L194 WeakPolarHBondContact O-CB 3.33Å; G191-L194 PolarHBondContact O-N 2.85Å
192E83.5Confident91Very high159 Ų15941 Ų4174%0.74323%0.227SC*.Hα-helixtrans-57.1-32-171.7-63-173.8168.500114Y190 L194 Y195Y190-E192 PolarHBondContact O-N 3.43Å; E192-L194 PolarHBondContact O-N 3.48Å; E192-Y195 HydrophobicContact CB-CD2 4.44Å; E192-Y195 HydrophobicContact CG-CD2 4.32Å; E192-Y195 HydrophobicContact CG-CE2 4.22Å; E192-Y195 PolarHBondContact O-N 2.92Å
193L87.3Confident91.2Very high43 Ų4338.2 Ų38.223%0.22521%0.206CC..Hα-helixtrans-62.8-22.3175.8-68.5-177.3000113.6G191 I231 A232 D233 L234G191-L193 PolarHBondContact O-N 2.9Å; G191-L193 VanDerWaalsContact O-N 3.13Å; L193-I231 HydrophobicContact CD1-CG1 4.21Å; L193-A232 WeakPolarHBondContact CG-O 3.36Å; L193-D233 WeakPolarHBondContact CD1-O 3.38Å; L193-L234 HydrophobicContact CD2-CD2 4.19Å
194L88.5Confident91.1Very high17 Ų1735.8 Ų35.89%0.08920%0.196CC..Hα-helixtrans-91.1-31.3178.9-60.8-177.4000112.4T162 G191 E192 G196 K197 F200 V203T162-L194 HydrophobicContact CG2-CD2 4.02Å; G191-L194 WeakPolarHBondContact O-CB 3.33Å; G191-L194 PolarHBondContact O-N 2.85Å; E192-L194 PolarHBondContact O-N 3.48Å; L194-G196 PolarHBondContact O-N 3.22Å; L194-G196 VanDerWaalsContact O-N 3.13Å; L194-K197 VanDerWaalsContact O-CB 3.25Å; L194-K197 WeakPolarHBondContact O-CB 3.37Å; L194-K197 WeakPolarHBondContact O-CG 3.5Å; L194-K197 PolarHBondContact O-N 3.41Å; L194-F200 WeakPolarHBondContact O-CB 3.39Å; L194-V203 HydrophobicContact CD1-CG1 3.97Å
195Y81.9Confident91Very high111 Ų11139.6 Ų39.644%0.43522%0.22SC..Hα-helixtrans-60-29.8-172.6-61.4-26.5000113.9E192 K197 F200 E482E192-Y195 HydrophobicContact CB-CD2 4.44Å; E192-Y195 HydrophobicContact CG-CD2 4.32Å; E192-Y195 HydrophobicContact CG-CE2 4.22Å; E192-Y195 PolarHBondContact O-N 2.92Å; Y195-K197 VanDerWaalsContact C-N 3.29Å; Y195-K197 PolarHBondContact O-N 3.27Å; Y195-F200 AromaticContact CD1-CD2 3.84Å; Y195-F200 HydrophobicContact CD1-CD2 3.84Å; Y195-F200 AromaticContact CD1-CE2 3.78Å; Y195-F200 HydrophobicContact CD1-CE2 3.78Å; Y195-F200 HydrophobicContact CD1-CZ 4.49Å; Y195-F200 HydrophobicContact CE1-CD2 4.49Å; Y195-F200 HydrophobicContact CE1-CE2 4.25Å; Y195-E482 PolarHBondContact OH-OE2 3.14Å
196G78.3Confident90.9Very high78 Ų7841.5 Ų41.580%0.80423%0.23SC*.THydrogen-bonded Turntrans-76.7-8.3174.100000114.9L194L194-G196 PolarHBondContact O-N 3.22Å; L194-G196 VanDerWaalsContact O-N 3.13Å
197K86.3Confident90.9Very high97 Ų9747.2 Ų47.242%0.42226%0.261SS..SBendtrans-81.8136.9-177.5-59.8-68.1-176179.20110.5L194 Y195 L199 F200L194-K197 VanDerWaalsContact O-CB 3.25Å; L194-K197 WeakPolarHBondContact O-CB 3.37Å; L194-K197 WeakPolarHBondContact O-CG 3.5Å; L194-K197 PolarHBondContact O-N 3.41Å; Y195-K197 VanDerWaalsContact C-N 3.29Å; Y195-K197 PolarHBondContact O-N 3.27Å; K197-L199 PolarHBondContact O-N 2.82Å; K197-F200 HydrophobicContact CB-CB 4.4Å; K197-F200 WeakPolarHBondContact O-CB 3.42Å; K197-F200 PolarHBondContact O-N 3.37Å
198F90Very high90.8Very high12 Ų1250.3 Ų50.35%0.05328%0.275CS..THydrogen-bonded Turntrans-56128.5174.1-178.5-121.1000110.7F200 V286 T295 R298 V299 Y449 P451 L495 W496F198-F200 VanDerWaalsContact C-N 3.33Å; F198-F200 PolarHBondContact O-N 2.82Å; F198-V286 HydrophobicContact CD1-CG1 4.26Å; F198-V286 HydrophobicContact CE1-CG1 4.1Å; F198-T295 HydrophobicContact CB-CG2 4.46Å; F198-T295 HydrophobicContact CD1-CG2 3.77Å; F198-R298 PolarHBondContact O-NH1 3.43Å; F198-R298 PolarHBondContact O-NH2 3.05Å; F198-V299 HydrophobicContact CD1-CG2 4.42Å; F198-V299 HydrophobicContact CE1-CG2 3.86Å; F198-Y449 HydrophobicContact CD2-CE1 4.07Å; F198-Y449 AromaticContact CE2-CE1 3.86Å; F198-Y449 HydrophobicContact CE2-CE1 3.86Å; F198-P451 HydrophobicContact CD2-CG 3.77Å; F198-P451 HydrophobicContact CE2-CG 3.67Å; F198-L495 HydrophobicContact CE2-CD2 3.63Å; F198-L495 HydrophobicContact CZ-CD2 3.62Å; F198-W496 AromaticContact CE1-CH2 3.71Å; F198-W496 HydrophobicContact CE1-CH2 3.71Å; F198-W496 AromaticContact CE1-CZ2 3.82Å; F198-W496 HydrophobicContact CE1-CZ2 3.82Å; F198-W496 AromaticContact CZ-CH2 3.7Å; F198-W496 HydrophobicContact CZ-CH2 3.7Å; F198-W496 AromaticContact CZ-CZ2 3.89Å; F198-W496 HydrophobicContact CZ-CZ2 3.89Å
199L91.7Very high90.9Very high0 Ų050.4 Ų50.40%028%0.276CS..THydrogen-bonded Turntrans58.237-174.8-56.4171.3000114.1K197 G201 L202 R298 V299 L302 Y449 F485 C493K197-L199 PolarHBondContact O-N 2.82Å; L199-G201 PolarHBondContact O-N 3.33Å; L199-G201 VanDerWaalsContact O-N 3.14Å; L199-L202 HydrophobicContact CB-CD1 4.29Å; L199-L202 HydrophobicContact CD1-CD1 4.39Å; L199-L202 PolarHBondContact O-N 3.44Å; L199-R298 HydrophobicContact CB-CB 4.18Å; L199-R298 HydrophobicContact CD1-CB 4.19Å; L199-R298 WeakPolarHBondContact O-CD 3.33Å; L199-R298 PolarHBondContact O-NH1 3.26Å; L199-V299 HydrophobicContact CD1-CG2 3.91Å; L199-L302 HydrophobicContact CD1-CD1 4.07Å; L199-L302 HydrophobicContact CD1-CD2 4.11Å; L199-L302 HydrophobicContact CD1-CG 4.18Å; L199-L302 HydrophobicContact CD2-CD2 4.02Å; L199-Y449 HydrophobicContact CD2-CD1 3.44Å; L199-Y449 VanDerWaalsContact CD2-CD1 3.44Å; L199-Y449 HydrophobicContact CD2-CE1 3.73Å; L199-Y449 HydrophobicContact CD2-CG 4.36Å; L199-Y449 HydrophobicContact CG-CE1 4.42Å; L199-F485 HydrophobicContact CD2-CZ 4.36Å; L199-C493 HydrophobicContact CD2-CB 4.41Å
200F90.1Very high91Very high24 Ų2451.1 Ų51.111%0.10528%0.279CS..G310 helixtrans-54.3-33.3-177.775.8-87.6000114.4L194 Y195 K197 F198 L202 V203 N481 E482 F485L194-F200 WeakPolarHBondContact O-CB 3.39Å; Y195-F200 AromaticContact CD1-CD2 3.84Å; Y195-F200 HydrophobicContact CD1-CD2 3.84Å; Y195-F200 AromaticContact CD1-CE2 3.78Å; Y195-F200 HydrophobicContact CD1-CE2 3.78Å; Y195-F200 HydrophobicContact CD1-CZ 4.49Å; Y195-F200 HydrophobicContact CE1-CD2 4.49Å; Y195-F200 HydrophobicContact CE1-CE2 4.25Å; K197-F200 HydrophobicContact CB-CB 4.4Å; K197-F200 WeakPolarHBondContact O-CB 3.42Å; K197-F200 PolarHBondContact O-N 3.37Å; F198-F200 VanDerWaalsContact C-N 3.33Å; F198-F200 PolarHBondContact O-N 2.82Å; F200-L202 PolarHBondContact O-N 3.15Å; F200-V203 WeakPolarHBondContact O-CB 3.32Å; F200-V203 WeakPolarHBondContact O-CG2 3.49Å; F200-V203 PolarHBondContact O-N 3.23Å; F200-N481 HydrophobicContact CE1-CB 3.94Å; F200-N481 HydrophobicContact CZ-CB 3.87Å; F200-E482 HydrophobicContact CE2-CB 3.95Å; F200-E482 HydrophobicContact CE2-CG 4.34Å; F200-E482 HydrophobicContact CZ-CB 4.18Å; F200-F485 HydrophobicContact CE1-CE2 4.34Å; F200-F485 HydrophobicContact CZ-CD2 4.46Å
201G90.7Very high91.3Very high18 Ų1850 Ų5019%0.18629%0.285CS..G310 helixtrans-75-3.1-179.900000114.6L199 F485L199-G201 PolarHBondContact O-N 3.33Å; L199-G201 VanDerWaalsContact O-N 3.14Å; G201-F485 VanDerWaalsContact CA-CG 3.45Å
202L93.1Very high91.7Very high1 Ų150.9 Ų50.91%0.00529%0.285CS..G310 helixtrans-94.91.6166-62.9-177.3000112.6H165 L199 F200 R298 M301 L302 F306 F485 V491H165-L202 PolarHBondContact CE1-O 2.86Å; L199-L202 HydrophobicContact CB-CD1 4.29Å; L199-L202 HydrophobicContact CD1-CD1 4.39Å; L199-L202 PolarHBondContact O-N 3.44Å; F200-L202 PolarHBondContact O-N 3.15Å; L202-R298 HydrophobicContact CB-CB 4.28Å; L202-R298 HydrophobicContact CB-CG 4.01Å; L202-R298 WeakPolarHBondContact CD1-O 2.71Å; L202-M301 HydrophobicContact CB-CE 4.42Å; L202-M301 HydrophobicContact CD1-CB 4.32Å; L202-L302 HydrophobicContact CD1-CD2 4.12Å; L202-F306 HydrophobicContact CD2-CB 4.48Å; L202-F306 HydrophobicContact CD2-CD1 3.8Å; L202-F306 HydrophobicContact CD2-CD2 3.97Å; L202-F306 HydrophobicContact CD2-CE1 3.89Å; L202-F306 HydrophobicContact CD2-CE2 4.07Å; L202-F306 HydrophobicContact CD2-CG 3.82Å; L202-F306 HydrophobicContact CD2-CZ 4.03Å; L202-F485 HydrophobicContact CD2-CD1 4.16Å; L202-F485 HydrophobicContact CD2-CE1 4.27Å; L202-F485 HydrophobicContact CG-CD1 4.21Å; L202-F485 HydrophobicContact CG-CE1 3.9Å; L202-V491 HydrophobicContact CD1-CB 4.49Å; L202-V491 HydrophobicContact CD2-CB 4.35Å; L202-V491 HydrophobicContact CD2-CG2 3.83Å
203V93.8Very high92.4Very high17 Ų1743.3 Ų43.310%0.10325%0.249CC..SBendtrans-67.7139.2174.5173.30000109.3D164 L194 F200D164-V203 HydrophobicContact CB-CG1 4.01Å; D164-V203 VanDerWaalsContact OD1-CA 3.29Å; D164-V203 WeakPolarHBondContact OD1-CA 3.44Å; L194-V203 HydrophobicContact CD1-CG1 3.97Å; F200-V203 WeakPolarHBondContact O-CB 3.32Å; F200-V203 WeakPolarHBondContact O-CG2 3.49Å; F200-V203 PolarHBondContact O-N 3.23Å
204E93.3Very high92.9Very high29 Ų2944 Ų4414%0.13625%0.253CS..PPolyproline II helixtrans-57.3143.1174.6-75.9178.8148.100111.1D164 H165 L208 R209 N212D164-E204 PolarHBondContact OD1-N 3.26Å; H165-E204 WeakPolarHBondContact CA-OE2 3.27Å; H165-E204 IonicContact CD2-OE1 2.67Å; H165-E204 PolarHBondContact N-OE2 3.3Å; H165-E204 VanDerWaalsContact N-OE2 3.09Å; E204-L208 HydrophobicContact CB-CD2 4.18Å; E204-L208 HydrophobicContact CB-CG 4.47Å; E204-L208 HydrophobicContact CG-CD2 3.9Å; E204-L208 HydrophobicContact CG-CG 4.47Å; E204-R209 HydrophobicContact CB-CG 3.46Å; E204-R209 VanDerWaalsContact CB-CG 3.46Å; E204-R209 WeakPolarHBondContact O-CD 3.48Å; E204-R209 PolarHBondContact O-NE 3.04Å; E204-N212 PolarHBondContact OE1-ND2 3.24Å; E204-N212 PolarHBondContact OE2-ND2 2.65Å
205P93.3Very high93.2Very high79 Ų7948.4 Ų48.451%0.51327%0.273SS..PPolyproline II helixtrans-51.1147169.7-29.137.9000112.3D207 L208 R209P205-D207 VanDerWaalsContact C-N 3.3Å; P205-D207 WeakPolarHBondContact CB-OD1 3.34Å; P205-D207 PolarHBondContact O-N 2.99Å; P205-L208 HydrophobicContact CB-CB 4.47Å; P205-L208 PolarHBondContact O-N 3.27Å; P205-L208 VanDerWaalsContact O-N 3.12Å; P205-R209 PolarHBondContact O-N 2.93Å
206L96.5Very high93.8Very high46 Ų4643.4 Ų43.424%0.24125%0.253CS..Hα-helixtrans-56-43.8-175.4171.563.9000112.5V188 Y190 R209 V210 P230V188-L206 HydrophobicContact CB-CD1 3.98Å; V188-L206 HydrophobicContact CG1-CD1 3.52Å; Y190-L206 HydrophobicContact CD1-CD2 4.47Å; Y190-L206 HydrophobicContact CG-CD2 4.17Å; L206-R209 PolarHBondContact O-N 3.39Å; L206-V210 HydrophobicContact CD1-CG2 4.03Å; L206-V210 HydrophobicContact CG-CG2 4.46Å; L206-V210 WeakPolarHBondContact O-CB 3.14Å; L206-V210 VanDerWaalsContact O-CG2 3.3Å; L206-V210 WeakPolarHBondContact O-CG2 3.21Å; L206-V210 PolarHBondContact O-N 3.06Å; L206-P230 HydrophobicContact CD1-CB 4.44Å; L206-P230 HydrophobicContact CD2-CB 3.8Å; L206-P230 HydrophobicContact CD2-CG 3.83Å
207D97.9Very high94.6Very high120 Ų12039.7 Ų39.764%0.64222%0.215SC*.Hα-helixtrans-60.4-42.3177.358.1-42.5000112.1P205 C211P205-D207 VanDerWaalsContact C-N 3.3Å; P205-D207 WeakPolarHBondContact CB-OD1 3.34Å; P205-D207 PolarHBondContact O-N 2.99Å; D207-C211 VanDerWaalsContact O-CB 3.23Å; D207-C211 WeakPolarHBondContact O-CB 3.32Å; D207-C211 PolarHBondContact O-N 3.37Å
208L96.9Very high94.8Very high71 Ų7138.2 Ų38.237%0.37222%0.217SC..Hα-helixtrans-65.8-44175.1-178.858.4000111.5E204 P205 V210 C211 N212E204-L208 HydrophobicContact CB-CD2 4.18Å; E204-L208 HydrophobicContact CB-CG 4.47Å; E204-L208 HydrophobicContact CG-CD2 3.9Å; E204-L208 HydrophobicContact CG-CG 4.47Å; P205-L208 HydrophobicContact CB-CB 4.47Å; P205-L208 PolarHBondContact O-N 3.27Å; P205-L208 VanDerWaalsContact O-N 3.12Å; L208-V210 PolarHBondContact O-N 2.56Å; L208-C211 WeakPolarHBondContact O-CB 3.38Å; L208-C211 PolarHBondContact O-N 2.69Å; L208-N212 WeakPolarHBondContact O-CB 3.43Å; L208-N212 PolarHBondContact O-N 2.76Å; L208-N212 PolarHBondContact O-ND2 2.86Å
209R98.1Very high94.8Very high3 Ų338.4 Ų38.41%0.01122%0.219CC..Hα-helixtrans-62.2-43.9177.1-68.6-175.7-72.1121.50.5112T162 F163 V188 S189 E204 P205 L206 N212 I213T162-R209 WeakPolarHBondContact O-CD 3.43Å; T162-R209 PolarHBondContact O-NH1 2.95Å; F163-R209 WeakPolarHBondContact O-CG 3.38Å; V188-R209 HydrophobicContact CG1-CB 4.36Å; S189-R209 VanDerWaalsContact O-CZ 3.26Å; S189-R209 PolarHBondContact O-NH1 2.97Å; S189-R209 PolarHBondContact O-NH2 2.98Å; E204-R209 HydrophobicContact CB-CG 3.46Å; E204-R209 VanDerWaalsContact CB-CG 3.46Å; E204-R209 WeakPolarHBondContact O-CD 3.48Å; E204-R209 PolarHBondContact O-NE 3.04Å; P205-R209 PolarHBondContact O-N 2.93Å; L206-R209 PolarHBondContact O-N 3.39Å; R209-N212 PolarHBondContact O-N 3.03Å; R209-I213 WeakPolarHBondContact O-CD1 3.41Å; R209-I213 VanDerWaalsContact O-CG1 3.24Å; R209-I213 WeakPolarHBondContact O-CG1 3.33Å; R209-I213 PolarHBondContact O-N 2.67Å
210V98.7Very high94.7Very high29 Ų2938.4 Ų38.418%0.17622%0.219CC..Hα-helixtrans-62.5-43.7174.4169.40000111V188 L206 L208 N212 I213 N214 C228V188-V210 HydrophobicContact CB-CG2 4.39Å; V188-V210 HydrophobicContact CG1-CG2 4.35Å; V188-V210 HydrophobicContact CG2-CG2 4.15Å; L206-V210 HydrophobicContact CD1-CG2 4.03Å; L206-V210 HydrophobicContact CG-CG2 4.46Å; L206-V210 WeakPolarHBondContact O-CB 3.14Å; L206-V210 VanDerWaalsContact O-CG2 3.3Å; L206-V210 WeakPolarHBondContact O-CG2 3.21Å; L206-V210 PolarHBondContact O-N 3.06Å; L208-V210 PolarHBondContact O-N 2.56Å; V210-N212 VanDerWaalsContact C-N 3.34Å; V210-N212 PolarHBondContact O-N 3.02Å; V210-I213 PolarHBondContact O-N 2.76Å; V210-N214 WeakPolarHBondContact O-CB 3.41Å; V210-N214 PolarHBondContact O-N 3.34Å; V210-N214 PolarHBondContact O-ND2 3.4Å; V210-C228 HydrophobicContact CB-CB 4.46Å; V210-C228 HydrophobicContact CG1-CB 3.79Å; V210-C228 HydrophobicContact CG2-CB 4.05Å
211C98.5Very high94.7Very high73 Ų7337.2 Ų37.249%0.49321%0.214SC..Hα-helixtrans-59.7-44.6175.6-172.20000111.6D207 L208 N214 H215D207-C211 VanDerWaalsContact O-CB 3.23Å; D207-C211 WeakPolarHBondContact O-CB 3.32Å; D207-C211 PolarHBondContact O-N 3.37Å; L208-C211 WeakPolarHBondContact O-CB 3.38Å; L208-C211 PolarHBondContact O-N 2.69Å; C211-N214 PolarHBondContact O-N 3.2Å; C211-H215 VanDerWaalsContact O-CB 3.31Å; C211-H215 WeakPolarHBondContact O-CB 3.41Å; C211-H215 PolarHBondContact O-N 3.27Å
212N97.2Very high94.4Very high42 Ų4239.7 Ų39.723%0.22523%0.227CC..Hα-helixtrans-61.4-44.7177.5-72.3-19.3000111.5L166 E204 L208 R209 V210 F216L166-N212 VanDerWaalsContact CD1-C 3.44Å; L166-N212 HydrophobicContact CD1-CB 3.74Å; L166-N212 WeakPolarHBondContact CD1-O 3.45Å; L166-N212 HydrophobicContact CG-CB 3.99Å; E204-N212 PolarHBondContact OE1-ND2 3.24Å; E204-N212 PolarHBondContact OE2-ND2 2.65Å; L208-N212 WeakPolarHBondContact O-CB 3.43Å; L208-N212 PolarHBondContact O-N 2.76Å; L208-N212 PolarHBondContact O-ND2 2.86Å; R209-N212 PolarHBondContact O-N 3.03Å; V210-N212 VanDerWaalsContact C-N 3.34Å; V210-N212 PolarHBondContact O-N 3.02Å; N212-F216 VanDerWaalsContact O-CB 3.32Å; N212-F216 WeakPolarHBondContact O-CB 3.47Å; N212-F216 PolarHBondContact O-N 3.36Å
213I98.4Very high93.9Very high0 Ų046.2 Ų46.20%026%0.262CS..Hα-helixtrans-63.2-49.2176.2-64.8159.7000110.8F163 L166 L174 I186 V188 R209 V210 H215 F216 L217F163-I213 HydrophobicContact CB-CD1 3.63Å; F163-I213 HydrophobicContact CB-CG1 4.07Å; F163-I213 HydrophobicContact CD1-CD1 4.38Å; F163-I213 HydrophobicContact CD2-CD1 3.83Å; F163-I213 HydrophobicContact CG-CD1 3.69Å; F163-I213 HydrophobicContact CG-CG1 4.22Å; L166-I213 HydrophobicContact CD1-CG1 4.37Å; L166-I213 HydrophobicContact CD2-CG1 4.31Å; L174-I213 HydrophobicContact CD1-CG1 4.47Å; L174-I213 HydrophobicContact CD1-CG2 4.42Å; L174-I213 HydrophobicContact CD2-CG2 4.43Å; I186-I213 HydrophobicContact CG2-CD1 4.21Å; I186-I213 HydrophobicContact CG2-CG2 4.47Å; V188-I213 HydrophobicContact CG1-CD1 4.48Å; V188-I213 HydrophobicContact CG2-CD1 3.57Å; R209-I213 WeakPolarHBondContact O-CD1 3.41Å; R209-I213 VanDerWaalsContact O-CG1 3.24Å; R209-I213 WeakPolarHBondContact O-CG1 3.33Å; R209-I213 PolarHBondContact O-N 2.67Å; V210-I213 PolarHBondContact O-N 2.76Å; I213-H215 PolarHBondContact O-N 3.11Å; I213-F216 PolarHBondContact O-N 2.85Å; I213-L217 HydrophobicContact CG2-CD1 3.84Å; I213-L217 HydrophobicContact CG2-CG 4.38Å; I213-L217 PolarHBondContact O-N 3.1Å
214N97.8Very high93.8Very high58 Ų5846.2 Ų46.231%0.3126%0.261SS..Hα-helixtrans-58.4-49179.4-70.9-20.6000110.7V210 C211 F216 L217 S218 F226 C228V210-N214 WeakPolarHBondContact O-CB 3.41Å; V210-N214 PolarHBondContact O-N 3.34Å; V210-N214 PolarHBondContact O-ND2 3.4Å; C211-N214 PolarHBondContact O-N 3.2Å; N214-F216 VanDerWaalsContact C-N 3.31Å; N214-F216 PolarHBondContact O-N 3.11Å; N214-L217 PolarHBondContact O-N 2.95Å; N214-S218 VanDerWaalsContact O-CB 3.22Å; N214-S218 WeakPolarHBondContact O-CB 3.48Å; N214-S218 PolarHBondContact O-N 3.32Å; N214-S218 PolarHBondContact O-OG 3.44Å; N214-F226 HydrophobicContact CB-CE2 4.48Å; N214-F226 VanDerWaalsContact OD1-CE2 3.31Å; N214-F226 WeakPolarHBondContact OD1-CE2 3.25Å; N214-C228 PolarHBondContact OD1-SG 2.82Å
215H94.2Very high93.8Very high109 Ų10948.2 Ų48.251%0.50528%0.279SS..Hα-helixtrans-59.5-41.9177.4-179.464.8000112.2R71 C211 I213 T219R71-H215 PolarHBondContact NH2-NE2 3.37Å; C211-H215 VanDerWaalsContact O-CB 3.31Å; C211-H215 WeakPolarHBondContact O-CB 3.41Å; C211-H215 PolarHBondContact O-N 3.27Å; I213-H215 PolarHBondContact O-N 3.11Å; H215-T219 WeakPolarHBondContact O-CB 3.34Å; H215-T219 PolarHBondContact O-N 3.27Å; H215-T219 PolarHBondContact O-OG1 3.46Å
216F95Very high94Very high5 Ų546.5 Ų46.52%0.02226%0.263CS..Hα-helixtrans-64.2-55.6177.8-179.1-97.9000111.6L166 E171 L174 N212 I213 N214 T219 I220L166-F216 HydrophobicContact CD1-CB 4.1Å; E171-F216 HydrophobicContact CB-CE1 4.38Å; E171-F216 HydrophobicContact CB-CE2 3.72Å; E171-F216 HydrophobicContact CB-CZ 3.56Å; E171-F216 HydrophobicContact CG-CD2 4.04Å; E171-F216 HydrophobicContact CG-CE2 3.5Å; E171-F216 VanDerWaalsContact CG-CE2 3.5Å; E171-F216 HydrophobicContact CG-CZ 3.85Å; L174-F216 HydrophobicContact CB-CD1 4.05Å; L174-F216 HydrophobicContact CB-CE1 3.75Å; L174-F216 HydrophobicContact CD1-CD1 3.92Å; L174-F216 HydrophobicContact CD1-CE1 4.32Å; N212-F216 VanDerWaalsContact O-CB 3.32Å; N212-F216 WeakPolarHBondContact O-CB 3.47Å; N212-F216 PolarHBondContact O-N 3.36Å; I213-F216 PolarHBondContact O-N 2.85Å; N214-F216 VanDerWaalsContact C-N 3.31Å; N214-F216 PolarHBondContact O-N 3.11Å; F216-T219 WeakPolarHBondContact O-CA 3.47Å; F216-T219 VanDerWaalsContact O-CB 3.3Å; F216-T219 WeakPolarHBondContact O-CB 3.47Å; F216-T219 PolarHBondContact O-N 2.91Å; F216-I220 HydrophobicContact CD1-CD1 4.09Å; F216-I220 HydrophobicContact CD1-CG1 4.31Å; F216-I220 HydrophobicContact CE1-CD1 3.39Å; F216-I220 HydrophobicContact CE1-CG1 4.03Å; F216-I220 HydrophobicContact CE2-CG2 4.3Å; F216-I220 HydrophobicContact CZ-CD1 3.85Å; F216-I220 HydrophobicContact CZ-CG1 4.47Å; F216-I220 HydrophobicContact CZ-CG2 4.18Å; F216-I220 PolarHBondContact O-N 3.38Å
217L95.2Very high94Very high0 Ų047.4 Ų47.40%027%0.271CS..Hα-helixtrans-65.3-44.6-177.1-75.2176.7000112.7L174 A178 L184 I186 I213 N214 T219 I220 A221 L224 F226L174-L217 HydrophobicContact CB-CD2 4.22Å; L174-L217 HydrophobicContact CD2-CD1 4.42Å; A178-L217 HydrophobicContact CB-CD2 4.18Å; L184-L217 HydrophobicContact CD2-CD1 4.27Å; I186-L217 HydrophobicContact CD1-CD1 3.81Å; I186-L217 HydrophobicContact CG1-CD1 4.33Å; I213-L217 HydrophobicContact CG2-CD1 3.84Å; I213-L217 HydrophobicContact CG2-CG 4.38Å; I213-L217 PolarHBondContact O-N 3.1Å; N214-L217 PolarHBondContact O-N 2.95Å; L217-T219 PolarHBondContact O-N 3.44Å; L217-I220 HydrophobicContact CD2-CD1 4.22Å; L217-I220 HydrophobicContact CD2-CG1 4.39Å; L217-I220 PolarHBondContact O-N 3.05Å; L217-A221 CarbonylContact O-C 3.52Å; L217-A221 WeakPolarHBondContact O-CA 3.25Å; L217-A221 PolarHBondContact O-N 2.88Å; L217-L224 HydrophobicContact CD2-CD2 4.42Å; L217-F226 HydrophobicContact CB-CD1 4.06Å; L217-F226 HydrophobicContact CB-CD2 4.35Å; L217-F226 HydrophobicContact CB-CE1 3.56Å; L217-F226 HydrophobicContact CB-CE2 3.86Å; L217-F226 HydrophobicContact CB-CG 4.44Å; L217-F226 HydrophobicContact CB-CZ 3.46Å; L217-F226 VanDerWaalsContact CB-CZ 3.46Å; L217-F226 HydrophobicContact CD1-CB 4.41Å; L217-F226 HydrophobicContact CD1-CD1 4.21Å; L217-F226 HydrophobicContact CD1-CD2 3.51Å; L217-F226 HydrophobicContact CD1-CE1 4.39Å; L217-F226 HydrophobicContact CD1-CE2 3.7Å; L217-F226 HydrophobicContact CD1-CG 3.78Å; L217-F226 HydrophobicContact CD1-CZ 4.17Å; L217-F226 HydrophobicContact CG-CE2 4.42Å; L217-F226 HydrophobicContact CG-CZ 4.47Å
218S91.4Very high94.1Very high67 Ų6742.8 Ų42.847%0.46925%0.247SC..Hα-helixtrans-61-19.6174.2-63.20000112.8N214N214-S218 VanDerWaalsContact O-CB 3.22Å; N214-S218 WeakPolarHBondContact O-CB 3.48Å; N214-S218 PolarHBondContact O-N 3.32Å; N214-S218 PolarHBondContact O-OG 3.44Å
219T88.1Confident94.1Very high15 Ų1541.5 Ų41.59%0.09224%0.242CC..Hα-helixtrans-84.5-46174.4-60.30000113Y34 R71 W85 H215 F216 L217Y34-T219 HydrophobicContact CD1-CG2 4.34Å; Y34-T219 HydrophobicContact CE1-CG2 3.38Å; R71-T219 VanDerWaalsContact NH1-CG2 3.25Å; R71-T219 PolarHBondContact NH1-OG1 2.87Å; W85-T219 HydrophobicContact CZ2-CG2 4.35Å; H215-T219 WeakPolarHBondContact O-CB 3.34Å; H215-T219 PolarHBondContact O-N 3.27Å; H215-T219 PolarHBondContact O-OG1 3.46Å; F216-T219 WeakPolarHBondContact O-CA 3.47Å; F216-T219 VanDerWaalsContact O-CB 3.3Å; F216-T219 WeakPolarHBondContact O-CB 3.47Å; F216-T219 PolarHBondContact O-N 2.91Å; L217-T219 PolarHBondContact O-N 3.44Å
220I90.5Very high94.1Very high0 Ų044.4 Ų44.40%026%0.261CS..Hα-helixtrans-85.8-24.3-173.961.4157.4000113.5R71 I72 L73 T74 T175 A178 F216 L217R71-I220 HydrophobicContact CB-CG2 3.96Å; R71-I220 HydrophobicContact CG-CG2 4.49Å; I72-I220 VanDerWaalsContact O-CB 3.32Å; I72-I220 WeakPolarHBondContact O-CB 3.29Å; I72-I220 WeakPolarHBondContact O-CG2 3.3Å; L73-I220 CarbonylContact C-O 3.52Å; L73-I220 WeakPolarHBondContact CA-O 3.42Å; T74-I220 HydrophobicContact CG2-CD1 4.07Å; T74-I220 PolarHBondContact N-O 3.03Å; T74-I220 PolarHBondContact OG1-O 3.14Å; T74-I220 VanDerWaalsContact OG1-O 3.14Å; T175-I220 HydrophobicContact CG2-CD1 4.33Å; A178-I220 HydrophobicContact CB-CD1 4.48Å; F216-I220 HydrophobicContact CD1-CD1 4.09Å; F216-I220 HydrophobicContact CD1-CG1 4.31Å; F216-I220 HydrophobicContact CE1-CD1 3.39Å; F216-I220 HydrophobicContact CE1-CG1 4.03Å; F216-I220 HydrophobicContact CE2-CG2 4.3Å; F216-I220 HydrophobicContact CZ-CD1 3.85Å; F216-I220 HydrophobicContact CZ-CG1 4.47Å; F216-I220 HydrophobicContact CZ-CG2 4.18Å; F216-I220 PolarHBondContact O-N 3.38Å; L217-I220 HydrophobicContact CD2-CD1 4.22Å; L217-I220 HydrophobicContact CD2-CG1 4.39Å; L217-I220 PolarHBondContact O-N 3.05Å
221A89.3Confident93.9Very high0 Ų043.8 Ų43.80%026%0.257CS..  trans-145.664.3-172.300000109.9T74 A178 L217 D223 L224T74-A221 WeakPolarHBondContact OG1-CB 3.19Å; A178-A221 HydrophobicContact CB-CB 4.05Å; L217-A221 CarbonylContact O-C 3.52Å; L217-A221 WeakPolarHBondContact O-CA 3.25Å; L217-A221 PolarHBondContact O-N 2.88Å; A221-D223 PolarHBondContact O-N 2.9Å; A221-L224 HydrophobicContact CB-CB 3.76Å; A221-L224 HydrophobicContact CB-CD2 4.21Å; A221-L224 VanDerWaalsContact O-CB 3.3Å; A221-L224 WeakPolarHBondContact O-CB 3.4Å; A221-L224 PolarHBondContact O-N 3.47Å
222P84.4Confident93.6Very high70 Ų7042.1 Ų42.146%0.45525%0.249SC..THydrogen-bonded Turntrans-58.6-30.1-174.224-34.7000113.8
223D84.3Confident93.3Very high137 Ų13743.9 Ų43.973%0.73326%0.258SS*.THydrogen-bonded Turntrans-89.5-1.7-179.4-64.2-28.1000113.3A221 S225A221-D223 PolarHBondContact O-N 2.9Å; D223-S225 PolarHBondContact O-N 3.16Å
224L90.4Very high92.8Very high17 Ų1749.1 Ų49.19%0.08929%0.285CS..  trans-72.5128.1178.1179.869000110.7A178 A181 L184 L217 A221 F226A178-L224 HydrophobicContact CB-CD2 3.73Å; A181-L224 WeakPolarHBondContact O-CD1 3.31Å; L184-L224 HydrophobicContact CB-CD2 4.35Å; L184-L224 HydrophobicContact CD2-CD2 4.42Å; L217-L224 HydrophobicContact CD2-CD2 4.42Å; A221-L224 HydrophobicContact CB-CB 3.76Å; A221-L224 HydrophobicContact CB-CD2 4.21Å; A221-L224 VanDerWaalsContact O-CB 3.3Å; A221-L224 WeakPolarHBondContact O-CB 3.4Å; A221-L224 PolarHBondContact O-N 3.47Å; L224-F226 HydrophobicContact CB-CD1 4.42Å; L224-F226 HydrophobicContact CD2-CB 4.26Å; L224-F226 HydrophobicContact CD2-CD1 4.23Å; L224-F226 HydrophobicContact CG-CB 4.33Å; L224-F226 HydrophobicContact CG-CD1 4.28Å; L224-F226 WeakPolarHBondContact O-CD1 3.48Å; L224-F226 PolarHBondContact O-N 3.41Å
225S93.5Very high92.5Very high72 Ų7249.6 Ų49.650%0.50328%0.283SS..EExtended strand (participates in β ladder)trans-77.3110.4167.2-1750000109.6K183 L184 D223K183-S225 CarbonylContact C-O 3.5Å; K183-S225 WeakPolarHBondContact CA-O 3.28Å; L184-S225 PolarHBondContact N-O 2.95Å; D223-S225 PolarHBondContact O-N 3.16Å
226F97.1Very high92.3Very high43 Ų4345.1 Ų45.119%0.18927%0.267CS..EExtended strand (participates in β ladder)trans-139.4158.6176.372.6-87.6000113.4L184 I186 N214 L217 L224L184-F226 HydrophobicContact CB-CB 3.9Å; L184-F226 CarbonylContact O-C 3.51Å; L184-F226 WeakPolarHBondContact O-CA 3.37Å; L184-F226 WeakPolarHBondContact O-CB 3.48Å; I186-F226 HydrophobicContact CD1-CB 3.86Å; I186-F226 HydrophobicContact CD1-CD2 3.76Å; I186-F226 HydrophobicContact CD1-CG 4.22Å; N214-F226 HydrophobicContact CB-CE2 4.48Å; N214-F226 VanDerWaalsContact OD1-CE2 3.31Å; N214-F226 WeakPolarHBondContact OD1-CE2 3.25Å; L217-F226 HydrophobicContact CB-CD1 4.06Å; L217-F226 HydrophobicContact CB-CD2 4.35Å; L217-F226 HydrophobicContact CB-CE1 3.56Å; L217-F226 HydrophobicContact CB-CE2 3.86Å; L217-F226 HydrophobicContact CB-CG 4.44Å; L217-F226 HydrophobicContact CB-CZ 3.46Å; L217-F226 VanDerWaalsContact CB-CZ 3.46Å; L217-F226 HydrophobicContact CD1-CB 4.41Å; L217-F226 HydrophobicContact CD1-CD1 4.21Å; L217-F226 HydrophobicContact CD1-CD2 3.51Å; L217-F226 HydrophobicContact CD1-CE1 4.39Å; L217-F226 HydrophobicContact CD1-CE2 3.7Å; L217-F226 HydrophobicContact CD1-CG 3.78Å; L217-F226 HydrophobicContact CD1-CZ 4.17Å; L217-F226 HydrophobicContact CG-CE2 4.42Å; L217-F226 HydrophobicContact CG-CZ 4.47Å; L224-F226 HydrophobicContact CB-CD1 4.42Å; L224-F226 HydrophobicContact CD2-CB 4.26Å; L224-F226 HydrophobicContact CD2-CD1 4.23Å; L224-F226 HydrophobicContact CG-CB 4.33Å; L224-F226 HydrophobicContact CG-CD1 4.28Å; L224-F226 WeakPolarHBondContact O-CD1 3.48Å; L224-F226 PolarHBondContact O-N 3.41Å
227T97.7Very high92.3Very high65 Ų6546.3 Ų46.340%0.39928%0.275SS..EExtended strand (participates in β ladder)trans-142.4142.1175.9-1710000111.1L184 T185 I186 V229L184-T227 PolarHBondContact O-N 3.14Å; T185-T227 HydrophobicContact CG2-CG2 4.27Å; I186-T227 WeakPolarHBondContact CD1-O 3.43Å; I186-T227 PolarHBondContact N-O 3.42Å; T227-V229 HydrophobicContact CG2-CG2 4.2Å
228C98.5Very high92.3Very high22 Ų2246.5 Ų46.515%0.14928%0.276CS..EExtended strand (participates in β ladder)trans-97.8128.1172.3-65.10000109.8I186 V188 V210 N214I186-C228 CarbonylContact O-C 3.55Å; I186-C228 WeakPolarHBondContact O-CA 3.35Å; V188-C228 HydrophobicContact CG2-CB 4.22Å; V210-C228 HydrophobicContact CB-CB 4.46Å; V210-C228 HydrophobicContact CG1-CB 3.79Å; V210-C228 HydrophobicContact CG2-CB 4.05Å; N214-C228 PolarHBondContact OD1-SG 2.82Å
229V97.6Very high92.4Very high45 Ų4544 Ų4427%0.27326%0.257SS..EExtended strand (participates in β ladder)trans-121.9121.6-179.6-178.50000108.9T185 I186 G187 V188 T227 I231 P237T185-V229 HydrophobicContact CG2-CB 4.49Å; T185-V229 HydrophobicContact CG2-CG2 3.89Å; I186-V229 PolarHBondContact O-N 2.97Å; G187-V229 CarbonylContact C-O 3.58Å; G187-V229 VanDerWaalsContact CA-O 3.3Å; G187-V229 WeakPolarHBondContact CA-O 3.37Å; V188-V229 PolarHBondContact N-O 3.34Å; T227-V229 HydrophobicContact CG2-CG2 4.2Å; V229-I231 PolarHBondContact O-N 3.14Å; V229-P237 HydrophobicContact CG1-CG 4.43Å
230P97.6Very high92.5Very high63 Ų6350.3 Ų50.341%0.40929%0.286SS..EExtended strand (participates in β ladder)trans-61.8131.1172.8-23.435.1000111.4V188 Y190 L206V188-P230 WeakPolarHBondContact O-CA 3.49Å; Y190-P230 HydrophobicContact CD1-CB 3.53Å; Y190-P230 HydrophobicContact CE1-CB 3.42Å; Y190-P230 VanDerWaalsContact CE1-CB 3.42Å; Y190-P230 HydrophobicContact CG-CB 4.45Å; L206-P230 HydrophobicContact CD1-CB 4.44Å; L206-P230 HydrophobicContact CD2-CB 3.8Å; L206-P230 HydrophobicContact CD2-CG 3.83Å
231I95.4Very high92.7Very high17 Ų1752.3 Ų52.39%0.08730%0.296CS..EExtended strand (participates in β ladder)trans-119.7126.9175.763.4176000111V188 S189 Y190 L193 V229V188-I231 PolarHBondContact O-N 2.75Å; S189-I231 CarbonylContact C-O 3.55Å; S189-I231 WeakPolarHBondContact CA-O 3.44Å; Y190-I231 VanDerWaalsContact CD1-C 3.42Å; Y190-I231 WeakPolarHBondContact CD1-O 3.44Å; Y190-I231 VanDerWaalsContact CE1-C 3.4Å; Y190-I231 PolarHBondContact N-O 3.35Å; L193-I231 HydrophobicContact CD1-CG1 4.21Å; V229-I231 PolarHBondContact O-N 3.14Å
232A92Very high92.8Very high38 Ų3859.3 Ų59.331%0.31433%0.329SS..SBendtrans-105.2-3.2176.200000112.7Y190 L193Y190-A232 HydrophobicContact CD1-CB 4.36Å; Y190-A232 HydrophobicContact CE1-CB 3.73Å; Y190-A232 HydrophobicContact CE2-CB 4.25Å; L193-A232 WeakPolarHBondContact CG-O 3.36Å
233D91.3Very high93.3Very high78 Ų7860 Ų6042%0.41733%0.332SS..SBendtrans-135.3169.9177.167.161.5000110.9L193 Y235 G236L193-D233 WeakPolarHBondContact CD1-O 3.38Å; D233-Y235 PolarHBondContact O-N 2.89Å; D233-Y235 VanDerWaalsContact O-N 3.16Å; D233-Y235 WeakPolarHBondContact OD1-CA 3.49Å; D233-Y235 WeakPolarHBondContact OD1-CB 3.12Å; D233-Y235 WeakPolarHBondContact OD1-CD2 3.48Å; D233-Y235 PolarHBondContact OD1-N 3.42Å; D233-G236 PolarHBondContact OD1-N 3.21Å
234L87.7Confident93.8Very high111 Ų11153.7 Ų53.758%0.58130%0.298SS*.SBendtrans-64.9-16.2-175.6-67.4174.9000114.2L193 I260L193-L234 HydrophobicContact CD2-CD2 4.19Å; L234-I260 WeakPolarHBondContact O-CD1 3.36Å
235Y91.8Very high94Very high67 Ų6755.2 Ų55.226%0.26331%0.307SS..SBendtrans-105.2-46-170-41.7-81.2000112.2D233 T238 L239 I260 K263D233-Y235 PolarHBondContact O-N 2.89Å; D233-Y235 VanDerWaalsContact O-N 3.16Å; D233-Y235 WeakPolarHBondContact OD1-CA 3.49Å; D233-Y235 WeakPolarHBondContact OD1-CB 3.12Å; D233-Y235 WeakPolarHBondContact OD1-CD2 3.48Å; D233-Y235 PolarHBondContact OD1-N 3.42Å; Y235-T238 WeakPolarHBondContact O-CB 3.35Å; Y235-T238 PolarHBondContact O-N 3.16Å; Y235-T238 PolarHBondContact O-OG1 3.23Å; Y235-L239 HydrophobicContact CD1-CD1 3.96Å; Y235-L239 HydrophobicContact CD1-CD2 4.49Å; Y235-L239 HydrophobicContact CD1-CG 4.4Å; Y235-L239 HydrophobicContact CD2-CD1 3.94Å; Y235-L239 HydrophobicContact CG-CD1 3.54Å; Y235-L239 HydrophobicContact CG-CG 4.14Å; Y235-I260 HydrophobicContact CD1-CG1 4.12Å; Y235-K263 HydrophobicContact CD1-CB 4.04Å; Y235-K263 HydrophobicContact CD1-CG 4.08Å; Y235-K263 HydrophobicContact CE1-CB 3.63Å; Y235-K263 HydrophobicContact CE1-CD 4.42Å; Y235-K263 HydrophobicContact CE1-CG 3.69Å
236G90.5Very high94.1Very high15 Ų1551.8 Ų51.816%0.15528%0.283CS..G310 helixtrans55.2-137.6-176.300000112.5D233 T238D233-G236 PolarHBondContact OD1-N 3.21Å; G236-T238 PolarHBondContact O-N 3.42Å; G236-T238 VanDerWaalsContact O-N 3.14Å
237P93.9Very high94Very high30 Ų3050.1 Ų50.120%0.19528%0.276CS..G310 helixtrans-68.5-12.9-175.828.6-34.8000113.7T185 V229 L239 H240 D241 M244T185-P237 HydrophobicContact CG2-CG 3.88Å; V229-P237 HydrophobicContact CG1-CG 4.43Å; P237-L239 PolarHBondContact O-N 3.43Å; P237-H240 PolarHBondContact O-N 3.33Å; P237-D241 PolarHBondContact O-N 3.21Å; P237-M244 HydrophobicContact CB-CE 4.04Å; P237-M244 HydrophobicContact CG-CE 3.98Å
238T95.3Very high93.9Very high5 Ų547.1 Ų47.13%0.03126%0.257CS..G310 helixtrans-66.6-8.6-175.667.40000113.8A158 Y235 G236 M244 L247 I260 R264 L272A158-T238 HydrophobicContact CB-CG2 4.1Å; Y235-T238 WeakPolarHBondContact O-CB 3.35Å; Y235-T238 PolarHBondContact O-N 3.16Å; Y235-T238 PolarHBondContact O-OG1 3.23Å; G236-T238 PolarHBondContact O-N 3.42Å; G236-T238 VanDerWaalsContact O-N 3.14Å; T238-M244 HydrophobicContact CG2-SD 4.04Å; T238-L247 HydrophobicContact CG2-CD1 4.39Å; T238-I260 WeakPolarHBondContact OG1-CG2 3.38Å; T238-R264 WeakPolarHBondContact O-CD 3.22Å; T238-R264 PolarHBondContact O-NH1 3.43Å; T238-L272 HydrophobicContact CG2-CD1 4.24Å
239L93.1Very high93.5Very high14 Ų1446.3 Ų46.37%0.07325%0.252CS..G310 helixtrans-99.53.1172.9-61.4-179.1000114.5Y235 P237 K263 R264 K267 M269Y235-L239 HydrophobicContact CD1-CD1 3.96Å; Y235-L239 HydrophobicContact CD1-CD2 4.49Å; Y235-L239 HydrophobicContact CD1-CG 4.4Å; Y235-L239 HydrophobicContact CD2-CD1 3.94Å; Y235-L239 HydrophobicContact CG-CD1 3.54Å; Y235-L239 HydrophobicContact CG-CG 4.14Å; P237-L239 PolarHBondContact O-N 3.43Å; L239-K263 HydrophobicContact CD1-CG 3.78Å; L239-K263 HydrophobicContact CD2-CB 4.04Å; L239-K263 HydrophobicContact CD2-CG 3.83Å; L239-K263 HydrophobicContact CG-CG 4.49Å; L239-R264 HydrophobicContact CD2-CG 3.7Å; L239-K267 HydrophobicContact CB-CD 4.4Å; L239-K267 HydrophobicContact CD2-CD 4.5Å; L239-M269 VanDerWaalsContact O-SD 3.33Å
240H91.8Very high93.1Very high148 Ų14844.4 Ų44.469%0.68524%0.24SC*.THydrogen-bonded Turntrans-135.3-29.6-174.5-59.3-64.1000112.7P237 E242P237-H240 PolarHBondContact O-N 3.33Å; H240-E242 PolarHBondContact O-N 3.42Å
241D93.5Very high92.5Very high42 Ų4247.4 Ų47.423%0.22525%0.248CC..  trans-89.8102.1175.5-165.7-17.4000110.7H156 P237 T243 M244 R264H156-D241 IonicContact CE1-OD2 3.77Å; H156-D241 PolarHBondContact CE1-OD2 3.32Å; H156-D241 VanDerWaalsContact CE1-OD2 3.25Å; H156-D241 IonicContact ND1-OD2 3.85Å; P237-D241 PolarHBondContact O-N 3.21Å; D241-T243 VanDerWaalsContact C-N 3.26Å; D241-T243 VanDerWaalsContact OD1-CB 3.28Å; D241-T243 WeakPolarHBondContact OD1-CB 3.33Å; D241-T243 WeakPolarHBondContact OD1-CG2 3.46Å; D241-T243 PolarHBondContact OD1-N 2.81Å; D241-T243 PolarHBondContact OD1-OG1 3.14Å; D241-T243 PolarHBondContact OD2-OG1 2.9Å; D241-M244 HydrophobicContact CB-CE 3.8Å; D241-M244 HydrophobicContact CB-CG 4.17Å; D241-M244 HydrophobicContact CB-SD 4.04Å; D241-R264 PolarHBondContact O-NH1 2.69Å
242E92.4Very high91.8Very high146 Ų14651.5 Ų51.568%0.68227%0.267SS*.THydrogen-bonded Turntrans-77.3-10.7176.3-67.7-175.6176.200113.2H240 M244 M269H240-E242 PolarHBondContact O-N 3.42Å; E242-M244 PolarHBondContact O-N 3.29Å; E242-M269 HydrophobicContact CG-CE 3.76Å
243T93.8Very high91.5Very high86 Ų8652.3 Ų52.353%0.52827%0.269SS..THydrogen-bonded Turntrans-74.6-17.617971.70000112.3H156 D241H156-T243 WeakPolarHBondContact CB-O 3.43Å; H156-T243 PolarHBondContact ND1-OG1 3.05Å; D241-T243 VanDerWaalsContact C-N 3.26Å; D241-T243 VanDerWaalsContact OD1-CB 3.28Å; D241-T243 WeakPolarHBondContact OD1-CB 3.33Å; D241-T243 WeakPolarHBondContact OD1-CG2 3.46Å; D241-T243 PolarHBondContact OD1-N 2.81Å; D241-T243 PolarHBondContact OD1-OG1 3.14Å; D241-T243 PolarHBondContact OD2-OG1 2.9Å
244M95.2Very high91.5Very high3 Ų351.8 Ų51.82%0.01526%0.262CS..  trans-69.3129.8177.4-63.117617700110.9H156 A158 T185 P237 T238 D241 E242 L272H156-M244 VanDerWaalsContact O-CA 3.29Å; H156-M244 WeakPolarHBondContact O-CA 3.12Å; A158-M244 HydrophobicContact CB-CE 4.2Å; A158-M244 HydrophobicContact CB-SD 3.73Å; T185-M244 HydrophobicContact CG2-CE 3.68Å; P237-M244 HydrophobicContact CB-CE 4.04Å; P237-M244 HydrophobicContact CG-CE 3.98Å; T238-M244 HydrophobicContact CG2-SD 4.04Å; D241-M244 HydrophobicContact CB-CE 3.8Å; D241-M244 HydrophobicContact CB-CG 4.17Å; D241-M244 HydrophobicContact CB-SD 4.04Å; E242-M244 PolarHBondContact O-N 3.29Å; M244-L272 VanDerWaalsContact C-CD2 3.5Å; M244-L272 HydrophobicContact CB-CD2 3.79Å; M244-L272 WeakPolarHBondContact O-CD2 3.25Å
245D95Very high91.6Very high50 Ų5052.2 Ų52.227%0.26726%0.262SS..  trans-115-16.2178.252.70.2000113.2R155 H156 E273R155-D245 WeakPolarHBondContact CB-OD2 3.43Å; R155-D245 PolarHBondContact N-OD1 3.32Å; R155-D245 PolarHBondContact N-OD2 2.78Å; H156-D245 PolarHBondContact N-OD1 3.21Å; H156-D245 PolarHBondContact O-N 3.37Å; D245-E273 PolarHBondContact O-N 3.39Å
246C95Very high91.6Very high0 Ų050.6 Ų50.60%027%0.265CS..EExtended strand (participates in β ladder)trans-136.9145.5178.4176.70000112.8F154 A157 A158 E273F154-C246 HydrophobicContact CB-CB 3.88Å; F154-C246 HydrophobicContact CD1-CB 3.39Å; F154-C246 HydrophobicContact CD2-CB 3.67Å; F154-C246 HydrophobicContact CE1-CB 3.74Å; F154-C246 HydrophobicContact CE2-CB 4.02Å; F154-C246 VanDerWaalsContact CE2-SG 3.6Å; F154-C246 HydrophobicContact CG-CB 3.32Å; F154-C246 HydrophobicContact CZ-CB 4.04Å; A157-C246 CarbonylContact C-O 3.56Å; A157-C246 WeakPolarHBondContact CA-O 3.26Å; A157-C246 HydrophobicContact CB-CB 4.14Å; A158-C246 PolarHBondContact N-O 2.92Å; C246-E273 CarbonylContact C-O 3.55Å; C246-E273 VanDerWaalsContact CA-O 3.31Å; C246-E273 WeakPolarHBondContact CA-O 3.33Å; C246-E273 PolarHBondContact SG-O 3.26Å; C246-E273 VanDerWaalsContact SG-O 3.33Å
247L96Very high91.8Very high8 Ų850 Ų504%0.04226%0.259CS..EExtended strand (participates in β ladder)trans-116.8119.1164.5-17969.4000109.3A158 T238 V249 I260 L272 E273 L274 L275A158-L247 HydrophobicContact CB-CD1 3.94Å; A158-L247 WeakPolarHBondContact O-CA 3.39Å; T238-L247 HydrophobicContact CG2-CD1 4.39Å; L247-V249 HydrophobicContact CD2-CG1 4.02Å; L247-V249 HydrophobicContact CG-CG1 3.93Å; L247-I260 HydrophobicContact CD2-CB 4.37Å; L247-I260 HydrophobicContact CD2-CD1 3.56Å; L247-I260 HydrophobicContact CD2-CG2 4.41Å; L247-L272 HydrophobicContact CB-CB 4.11Å; L247-L272 HydrophobicContact CB-CD1 3.91Å; L247-E273 PolarHBondContact N-O 2.61Å; L247-L274 HydrophobicContact CB-CD2 3.85Å; L247-L274 HydrophobicContact CD2-CD2 3.89Å; L247-L274 HydrophobicContact CG-CD2 4.28Å; L247-L274 WeakPolarHBondContact O-CA 3.09Å; L247-L275 PolarHBondContact O-N 3.01Å
248I93.9Very high91.8Very high2 Ų252.3 Ų52.31%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-88.8125.5178.1-57-178.4000108.5A157 A158 I159 L173 A177 A180 L275 I277A157-I248 HydrophobicContact CB-CD1 3.83Å; A157-I248 HydrophobicContact CB-CG1 4.11Å; A158-I248 PolarHBondContact O-N 2.93Å; I159-I248 HydrophobicContact CB-CB 4.24Å; I159-I248 HydrophobicContact CD1-CG2 4.37Å; I159-I248 HydrophobicContact CG1-CB 4.42Å; L173-I248 HydrophobicContact CD1-CG2 4.41Å; A177-I248 HydrophobicContact CB-CD1 3.53Å; A180-I248 HydrophobicContact CB-CD1 4.26Å; I248-L275 WeakPolarHBondContact CA-O 3.49Å; I248-L275 HydrophobicContact CD1-CD2 4.44Å; I248-L275 HydrophobicContact CG1-CB 4.36Å; I248-L275 HydrophobicContact CG1-CD2 4.3Å; I248-I277 HydrophobicContact CG2-CD1 3.33Å; I248-I277 HydrophobicContact CG2-CG1 4.16Å
249V91.9Very high91.8Very high5 Ų556.8 Ų56.83%0.0329%0.289CS..EExtended strand (participates in β ladder)trans-131.6158-176.4-63.70000110.2L247 F254 L275 T276 I277L247-V249 HydrophobicContact CD2-CG1 4.02Å; L247-V249 HydrophobicContact CG-CG1 3.93Å; V249-F254 HydrophobicContact CG2-CB 4.43Å; V249-F254 HydrophobicContact CG2-CD2 4.01Å; V249-L275 PolarHBondContact N-O 2.83Å; V249-T276 CarbonylContact O-C 3.5Å; V249-T276 WeakPolarHBondContact O-CA 3.29Å; V249-I277 PolarHBondContact O-N 3.31Å
250S87.7Confident91.9Very high4 Ų456.8 Ų56.83%0.02829%0.288CS..EExtended strand (participates in β ladder)trans-92.8172.8161.661.80000109.5E252 T253 F254 I277S250-E252 PolarHBondContact O-N 2.87Å; S250-E252 PolarHBondContact OG-N 3.27Å; S250-T253 PolarHBondContact N-OG1 3.39Å; S250-T253 PolarHBondContact O-N 2.76Å; S250-T253 VanDerWaalsContact O-N 3.09Å; S250-T253 PolarHBondContact OG-N 3.32Å; S250-T253 PolarHBondContact OG-OG1 2.78Å; S250-F254 PolarHBondContact O-N 2.87Å; S250-I277 WeakPolarHBondContact CA-O 3.31Å
251E85.3Confident92.2Very high126 Ų12650.5 Ų50.559%0.58926%0.26SS*.G310 helixtrans-54-37.1169.7-63.3-167159.900111.7T253 T276E251-T253 VanDerWaalsContact C-N 3.35Å; E251-T253 PolarHBondContact O-N 2.85Å; E251-T276 HydrophobicContact CG-CG2 4.09Å
252E80Confident92.3Very high104 Ų10452.8 Ų52.849%0.48627%0.272SS..G310 helixtrans-64.9-34177.6-59.2-174.7144.800113.6S250 I292S250-E252 PolarHBondContact O-N 2.87Å; S250-E252 PolarHBondContact OG-N 3.27Å; E252-I292 VanDerWaalsContact OE1-CG2 3.31Å; E252-I292 WeakPolarHBondContact OE1-CG2 3.41Å; E252-I292 WeakPolarHBondContact OE2-CG2 3.44Å
253T86.6Confident92.5Very high55 Ų5549.5 Ų49.534%0.33726%0.255SS..G310 helixtrans-104.45.1-175.758.90000113.5S250 E251 E255 G256 G257S250-T253 PolarHBondContact N-OG1 3.39Å; S250-T253 PolarHBondContact O-N 2.76Å; S250-T253 VanDerWaalsContact O-N 3.09Å; S250-T253 PolarHBondContact OG-N 3.32Å; S250-T253 PolarHBondContact OG-OG1 2.78Å; E251-T253 VanDerWaalsContact C-N 3.35Å; E251-T253 PolarHBondContact O-N 2.85Å; T253-E255 PolarHBondContact O-N 2.89Å; T253-G256 WeakPolarHBondContact O-CA 3.42Å; T253-G256 PolarHBondContact O-N 3.2Å; T253-G256 VanDerWaalsContact O-N 3.07Å; T253-G257 PolarHBondContact O-N 2.83Å
254F90.3Very high92.6Very high66 Ų6645.4 Ų45.429%0.28923%0.23SC..Hα-helixtrans-58-47.3-179-178.7-106.9000112.7V249 S250 G256 G257 Q258 L274 T276V249-F254 HydrophobicContact CG2-CB 4.43Å; V249-F254 HydrophobicContact CG2-CD2 4.01Å; S250-F254 PolarHBondContact O-N 2.87Å; F254-G256 VanDerWaalsContact C-N 3.27Å; F254-G256 PolarHBondContact O-N 3.36Å; F254-G257 WeakPolarHBondContact O-CA 3.47Å; F254-G257 PolarHBondContact O-N 3.09Å; F254-Q258 HydrophobicContact CD1-CG 4.47Å; F254-Q258 HydrophobicContact CE1-CG 4.19Å; F254-Q258 HydrophobicContact CZ-CG 4.4Å; F254-Q258 PolarHBondContact O-N 3.34Å; F254-L274 HydrophobicContact CD2-CD1 4.34Å; F254-L274 HydrophobicContact CE2-CB 4.43Å; F254-L274 HydrophobicContact CE2-CD1 3.98Å; F254-T276 VanDerWaalsContact CD2-OG1 3.3Å; F254-T276 WeakPolarHBondContact CD2-OG1 3.41Å
255E91.2Very high92.6Very high121 Ų12147.1 Ų47.157%0.56525%0.245SC*.Hα-helixtrans-58.7-39.6175.4-66.9-60.7132.300111.6T253 G257 Q258 M259T253-E255 PolarHBondContact O-N 2.89Å; E255-G257 VanDerWaalsContact C-N 3.31Å; E255-G257 PolarHBondContact O-N 3.34Å; E255-Q258 PolarHBondContact O-N 3.35Å; E255-M259 WeakPolarHBondContact O-CG 3.18Å; E255-M259 PolarHBondContact O-N 3.49Å
256G90.4Very high92.6Very high33 Ų3351 Ų5134%0.3427%0.265SS..Hα-helixtrans-60.3-41.4173.200000112.2T253 F254 M259 I260T253-G256 WeakPolarHBondContact O-CA 3.42Å; T253-G256 PolarHBondContact O-N 3.2Å; T253-G256 VanDerWaalsContact O-N 3.07Å; F254-G256 VanDerWaalsContact C-N 3.27Å; F254-G256 PolarHBondContact O-N 3.36Å; G256-M259 PolarHBondContact O-N 3.23Å; G256-I260 WeakPolarHBondContact O-CG1 3.19Å; G256-I260 PolarHBondContact O-N 2.74Å
257G94.5Very high92.6Very high1 Ų155.9 Ų55.91%0.0129%0.287CS..Hα-helixtrans-63.4-38.9174.200000113.5T253 F254 E255 I260 N261T253-G257 PolarHBondContact O-N 2.83Å; F254-G257 WeakPolarHBondContact O-CA 3.47Å; F254-G257 PolarHBondContact O-N 3.09Å; E255-G257 VanDerWaalsContact C-N 3.31Å; E255-G257 PolarHBondContact O-N 3.34Å; G257-I260 PolarHBondContact O-N 3.42Å; G257-N261 PolarHBondContact O-N 3.14Å; G257-N261 VanDerWaalsContact O-N 3.12Å
258Q95.8Very high92.5Very high79 Ų7958.9 Ų58.937%0.36932%0.32SS..Hα-helixtrans-63.1-44.3173.3-65.8-167.3-5.500111.7F254 E255 I260 N261 L262 L274F254-Q258 HydrophobicContact CD1-CG 4.47Å; F254-Q258 HydrophobicContact CE1-CG 4.19Å; F254-Q258 HydrophobicContact CZ-CG 4.4Å; F254-Q258 PolarHBondContact O-N 3.34Å; E255-Q258 PolarHBondContact O-N 3.35Å; Q258-I260 VanDerWaalsContact C-N 3.32Å; Q258-I260 PolarHBondContact O-N 2.96Å; Q258-N261 PolarHBondContact O-N 3.22Å; Q258-N261 VanDerWaalsContact O-N 3.09Å; Q258-L262 WeakPolarHBondContact O-CG 3.13Å; Q258-L262 PolarHBondContact O-N 3.21Å; Q258-L274 HydrophobicContact CG-CD1 4.07Å
259M95.1Very high92.5Very high100 Ų10059.9 Ų59.949%0.49332%0.324SS..Hα-helixtrans-61.4-39.1177.9-69.2-61.1-68.400112.4E255 G256 N261 L262 K263E255-M259 WeakPolarHBondContact O-CG 3.18Å; E255-M259 PolarHBondContact O-N 3.49Å; G256-M259 PolarHBondContact O-N 3.23Å; M259-N261 VanDerWaalsContact C-N 3.35Å; M259-L262 PolarHBondContact O-N 3.49Å; M259-L262 HydrophobicContact SD-CD1 4.06Å; M259-K263 PolarHBondContact O-N 3.5Å
260I95.6Very high92.6Very high13 Ų1364.2 Ų64.27%0.06735%0.351CS..Hα-helixtrans-58.9-47.5172.2-71.1163.5000110.5L234 Y235 T238 L247 G256 G257 Q258 L262 K263 R264L234-I260 WeakPolarHBondContact O-CD1 3.36Å; Y235-I260 HydrophobicContact CD1-CG1 4.12Å; T238-I260 WeakPolarHBondContact OG1-CG2 3.38Å; L247-I260 HydrophobicContact CD2-CB 4.37Å; L247-I260 HydrophobicContact CD2-CD1 3.56Å; L247-I260 HydrophobicContact CD2-CG2 4.41Å; G256-I260 WeakPolarHBondContact O-CG1 3.19Å; G256-I260 PolarHBondContact O-N 2.74Å; G257-I260 PolarHBondContact O-N 3.42Å; Q258-I260 VanDerWaalsContact C-N 3.32Å; Q258-I260 PolarHBondContact O-N 2.96Å; I260-L262 PolarHBondContact O-N 3.47Å; I260-K263 PolarHBondContact O-N 2.92Å; I260-R264 HydrophobicContact CG2-CG 4.33Å; I260-R264 WeakPolarHBondContact O-CG 3.25Å; I260-R264 PolarHBondContact O-N 3.08Å
261N96.8Very high93Very high17 Ų1772 Ų729%0.09138%0.38CS..Hα-helixtrans-65.8-36.1-179.4-91.6-23.6000113.7G257 Q258 M259 A265 R271 L272G257-N261 PolarHBondContact O-N 3.14Å; G257-N261 VanDerWaalsContact O-N 3.12Å; Q258-N261 PolarHBondContact O-N 3.22Å; Q258-N261 VanDerWaalsContact O-N 3.09Å; M259-N261 VanDerWaalsContact C-N 3.35Å; N261-A265 WeakPolarHBondContact O-CB 3.05Å; N261-A265 PolarHBondContact O-N 3.47Å; N261-R271 HydrophobicContact CB-CG 4.41Å; N261-R271 WeakPolarHBondContact OD1-CA 3.49Å; N261-L272 PolarHBondContact ND2-O 3.35Å; N261-L272 PolarHBondContact OD1-N 2.81Å
262L96.7Very high93.5Very high89 Ų8966.2 Ų66.247%0.46635%0.353SS..Hα-helixtrans-61.1-47.3170.8-68.5173.8000110.2Q258 M259 I260 R264 A265 D266Q258-L262 WeakPolarHBondContact O-CG 3.13Å; Q258-L262 PolarHBondContact O-N 3.21Å; M259-L262 PolarHBondContact O-N 3.49Å; M259-L262 HydrophobicContact SD-CD1 4.06Å; I260-L262 PolarHBondContact O-N 3.47Å; L262-R264 PolarHBondContact O-N 3.04Å; L262-A265 PolarHBondContact O-N 3.23Å; L262-D266 PolarHBondContact O-N 3.42Å
263K95.3Very high94.2Very high77 Ų7766.4 Ų66.434%0.33535%0.354SS..Hα-helixtrans-66.6-35.1180-165.865.7175.8179.90113.5Y235 L239 M259 I260 K267Y235-K263 HydrophobicContact CD1-CB 4.04Å; Y235-K263 HydrophobicContact CD1-CG 4.08Å; Y235-K263 HydrophobicContact CE1-CB 3.63Å; Y235-K263 HydrophobicContact CE1-CD 4.42Å; Y235-K263 HydrophobicContact CE1-CG 3.69Å; L239-K263 HydrophobicContact CD1-CG 3.78Å; L239-K263 HydrophobicContact CD2-CB 4.04Å; L239-K263 HydrophobicContact CD2-CG 3.83Å; L239-K263 HydrophobicContact CG-CG 4.49Å; M259-K263 PolarHBondContact O-N 3.5Å; I260-K263 PolarHBondContact O-N 2.92Å; K263-K267 PolarHBondContact O-N 2.81Å
264R96.8Very high94.5Very high0 Ų065.8 Ų65.80%035%0.348CS..Hα-helixtrans-63.1-45.9172.2-77.1-177.664.7107.5-7.7111T238 L239 D241 I260 L262 D266 K267 G268 M269 T270T238-R264 WeakPolarHBondContact O-CD 3.22Å; T238-R264 PolarHBondContact O-NH1 3.43Å; L239-R264 HydrophobicContact CD2-CG 3.7Å; D241-R264 PolarHBondContact O-NH1 2.69Å; I260-R264 HydrophobicContact CG2-CG 4.33Å; I260-R264 WeakPolarHBondContact O-CG 3.25Å; I260-R264 PolarHBondContact O-N 3.08Å; L262-R264 PolarHBondContact O-N 3.04Å; R264-D266 PolarHBondContact O-N 3.09Å; R264-K267 CarbonylContact O-C 3.56Å; R264-K267 PolarHBondContact O-N 3.47Å; R264-K267 VanDerWaalsContact O-N 3.09Å; R264-G268 PolarHBondContact O-N 3.43Å; R264-M269 HydrophobicContact CB-CB 4.02Å; R264-M269 HydrophobicContact CG-CB 4.44Å; R264-M269 HydrophobicContact CG-SD 4.29Å; R264-M269 WeakPolarHBondContact O-CB 3.03Å; R264-M269 PolarHBondContact O-N 3.06Å; R264-T270 PolarHBondContact NE-O 2.72Å; R264-T270 PolarHBondContact NH2-O 3.19Å; R264-T270 PolarHBondContact NH2-OG1 2.99Å
265A95Very high94.5Very high39 Ų3964.2 Ų64.232%0.32234%0.343SS..Hα-helixtrans-61.7-41.6177.400000112.3N261 L262 K267 G268N261-A265 WeakPolarHBondContact O-CB 3.05Å; N261-A265 PolarHBondContact O-N 3.47Å; L262-A265 PolarHBondContact O-N 3.23Å; A265-K267 PolarHBondContact O-N 3.09Å; A265-G268 PolarHBondContact O-N 2.95Å
266D95.6Very high94.4Very high131 Ų13161.2 Ų61.270%0.70133%0.333SS*.Hα-helixtrans-61-29.2175.1-70.7-13.2000112.8L262 R264 G268L262-D266 PolarHBondContact O-N 3.42Å; R264-D266 PolarHBondContact O-N 3.09Å; D266-G268 VanDerWaalsContact C-N 3.34Å
267K93.8Very high94.2Very high104 Ų10460 Ų6045%0.45232%0.318SS..THydrogen-bonded Turntrans-88.23.5174.8-73.5-172.6170.5-173.90113.7L239 K263 R264 A265 M269L239-K267 HydrophobicContact CB-CD 4.4Å; L239-K267 HydrophobicContact CD2-CD 4.5Å; K263-K267 PolarHBondContact O-N 2.81Å; R264-K267 CarbonylContact O-C 3.56Å; R264-K267 PolarHBondContact O-N 3.47Å; R264-K267 VanDerWaalsContact O-N 3.09Å; A265-K267 PolarHBondContact O-N 3.09Å; K267-M269 VanDerWaalsContact C-N 3.26Å; K267-M269 HydrophobicContact CB-CG 4.17Å; K267-M269 HydrophobicContact CB-SD 4.39Å; K267-M269 PolarHBondContact O-N 3.49Å
268G93.7Very high93.5Very high71 Ų7163 Ų6373%0.73233%0.334SS*.THydrogen-bonded Turntrans72.315-176.700000114.6R264 A265 D266R264-G268 PolarHBondContact O-N 3.43Å; A265-G268 PolarHBondContact O-N 2.95Å; D266-G268 VanDerWaalsContact C-N 3.34Å
269M94.1Very high92.5Very high22 Ų2260.3 Ų60.311%0.10832%0.322CS..PPolyproline II helixtrans-84.6153.6177.9-59.1176.381.100111.2L239 E242 R264 K267L239-M269 VanDerWaalsContact O-SD 3.33Å; E242-M269 HydrophobicContact CG-CE 3.76Å; R264-M269 HydrophobicContact CB-CB 4.02Å; R264-M269 HydrophobicContact CG-CB 4.44Å; R264-M269 HydrophobicContact CG-SD 4.29Å; R264-M269 WeakPolarHBondContact O-CB 3.03Å; R264-M269 PolarHBondContact O-N 3.06Å; K267-M269 VanDerWaalsContact C-N 3.26Å; K267-M269 HydrophobicContact CB-CG 4.17Å; K267-M269 HydrophobicContact CB-SD 4.39Å; K267-M269 PolarHBondContact O-N 3.49Å
270T94.2Very high91.2Very high97 Ų9756.9 Ų56.960%0.59531%0.306SS*.PPolyproline II helixtrans-60.5140.7171.653.40000110.6R264R264-T270 PolarHBondContact NE-O 2.72Å; R264-T270 PolarHBondContact NH2-O 3.19Å; R264-T270 PolarHBondContact NH2-OG1 2.99Å
271R95.7Very high89.6Confident167 Ų16762.7 Ų62.763%0.6334%0.337SS*.PPolyproline II helixtrans-70.7142.2173-69.3-177.7174.9179.1-1.4109.8N261N261-R271 HydrophobicContact CB-CG 4.41Å; N261-R271 WeakPolarHBondContact OD1-CA 3.49Å
272L96Very high87.7Confident5 Ų565.1 Ų65.13%0.02635%0.349CS..PPolyproline II helixtrans-79.9141.1171.7-59.3177.2000109.4T238 M244 L247 N261 L274T238-L272 HydrophobicContact CG2-CD1 4.24Å; M244-L272 VanDerWaalsContact C-CD2 3.5Å; M244-L272 HydrophobicContact CB-CD2 3.79Å; M244-L272 WeakPolarHBondContact O-CD2 3.25Å; L247-L272 HydrophobicContact CB-CB 4.11Å; L247-L272 HydrophobicContact CB-CD1 3.91Å; N261-L272 PolarHBondContact ND2-O 3.35Å; N261-L272 PolarHBondContact OD1-N 2.81Å; L272-L274 PolarHBondContact O-N 3.15Å
273E94.3Very high85.7Confident107 Ų10762.1 Ų62.150%0.534%0.34SS..EExtended strand (participates in β ladder)trans-68.4126.7168-171.2168.2154.900109.6F154 D245 C246 L247F154-E273 HydrophobicContact CE1-CB 3.97Å; F154-E273 HydrophobicContact CE1-CG 4.14Å; F154-E273 WeakPolarHBondContact CE1-OE2 3.21Å; F154-E273 HydrophobicContact CZ-CB 4.31Å; F154-E273 HydrophobicContact CZ-CG 4.08Å; D245-E273 PolarHBondContact O-N 3.39Å; C246-E273 CarbonylContact C-O 3.55Å; C246-E273 VanDerWaalsContact CA-O 3.31Å; C246-E273 WeakPolarHBondContact CA-O 3.33Å; C246-E273 PolarHBondContact SG-O 3.26Å; C246-E273 VanDerWaalsContact SG-O 3.33Å; L247-E273 PolarHBondContact N-O 2.61Å
274L93.6Very high83.7Confident42 Ų4262.2 Ų62.222%0.2235%0.35CS..EExtended strand (participates in β ladder)trans-88.7110.4178.1-60.6-172.9000109.4L247 F254 Q258 L272L247-L274 HydrophobicContact CB-CD2 3.85Å; L247-L274 HydrophobicContact CD2-CD2 3.89Å; L247-L274 HydrophobicContact CG-CD2 4.28Å; L247-L274 WeakPolarHBondContact O-CA 3.09Å; F254-L274 HydrophobicContact CD2-CD1 4.34Å; F254-L274 HydrophobicContact CE2-CB 4.43Å; F254-L274 HydrophobicContact CE2-CD1 3.98Å; Q258-L274 HydrophobicContact CG-CD1 4.07Å; L272-L274 PolarHBondContact O-N 3.15Å
275L91Very high81.7Confident33 Ų3368.8 Ų68.817%0.17338%0.381CS..EExtended strand (participates in β ladder)trans-96.2102.6171.8-179.666.5000109.1F51 F154 A180 L247 I248 V249F51-L275 HydrophobicContact CE2-CD1 4.45Å; F51-L275 HydrophobicContact CE2-CD2 4.09Å; F51-L275 HydrophobicContact CZ-CD2 4.15Å; F154-L275 HydrophobicContact CE2-CB 4.46Å; F154-L275 HydrophobicContact CE2-CD2 4.17Å; A180-L275 HydrophobicContact CB-CD2 3.8Å; L247-L275 PolarHBondContact O-N 3.01Å; I248-L275 WeakPolarHBondContact CA-O 3.49Å; I248-L275 HydrophobicContact CD1-CD2 4.44Å; I248-L275 HydrophobicContact CG1-CB 4.36Å; I248-L275 HydrophobicContact CG1-CD2 4.3Å; V249-L275 PolarHBondContact N-O 2.83Å
276T89.6Confident79.9Confident58 Ų5867.2 Ų67.236%0.35637%0.367SS..EExtended strand (participates in β ladder)trans-82.7124176.8-52.30000110.7V249 E251 F254V249-T276 CarbonylContact O-C 3.5Å; V249-T276 WeakPolarHBondContact O-CA 3.29Å; E251-T276 HydrophobicContact CG-CG2 4.09Å; F254-T276 VanDerWaalsContact CD2-OG1 3.3Å; F254-T276 WeakPolarHBondContact CD2-OG1 3.41Å
277I85.4Confident78.1Confident7 Ų764 Ų644%0.03635%0.35CS..EExtended strand (participates in β ladder)trans-103.4115171.4-63.6165.4000107.9M172 L173 C176 I248 V249 S250 L279M172-I277 HydrophobicContact CE-CG2 4.03Å; L173-I277 HydrophobicContact CD1-CB 3.77Å; L173-I277 HydrophobicContact CD1-CD1 3.63Å; L173-I277 HydrophobicContact CD1-CG1 4.27Å; L173-I277 HydrophobicContact CD1-CG2 4.06Å; C176-I277 HydrophobicContact CB-CD1 3.4Å; C176-I277 VanDerWaalsContact CB-CD1 3.4Å; C176-I277 HydrophobicContact CB-CG1 4.2Å; I248-I277 HydrophobicContact CG2-CD1 3.33Å; I248-I277 HydrophobicContact CG2-CG1 4.16Å; V249-I277 PolarHBondContact O-N 3.31Å; S250-I277 WeakPolarHBondContact CA-O 3.31Å; I277-L279 HydrophobicContact CG2-CD2 4.36Å; I277-L279 PolarHBondContact O-N 2.82Å; I277-L279 VanDerWaalsContact O-N 3.16Å
278D79.2Confident76.2Confident65 Ų6562 Ų6235%0.34836%0.358SS..  trans-64110.7171.3176.219.4000109.2R55 M172R55-D278 IonicContact NH1-OD2 3.62Å; R55-D278 PolarHBondContact NH1-OD2 2.96Å; M172-D278 WeakPolarHBondContact CE-O 3.48Å
279L75.9Confident74.1Confident22 Ų2264 Ų6412%0.11535%0.349CS..  trans-86.2142.2179.5-70.1-178.6000109.8L173 I277 N281 I292L173-L279 HydrophobicContact CB-CD2 4.1Å; L173-L279 HydrophobicContact CD1-CD2 4.09Å; I277-L279 HydrophobicContact CG2-CD2 4.36Å; I277-L279 PolarHBondContact O-N 2.82Å; I277-L279 VanDerWaalsContact O-N 3.16Å; L279-N281 PolarHBondContact O-N 3.29Å; L279-I292 HydrophobicContact CD1-CG2 4.3Å
280L67.5Low72Confident28 Ų2867.1 Ų67.115%0.14737%0.369CS..  trans-60.8122.2177.9-61.4164.2000111R55 Y58 E59 M172 I282R55-L280 HydrophobicContact CG-CD2 3.68Å; R55-L280 HydrophobicContact CG-CG 4.32Å; Y58-L280 VanDerWaalsContact C-CD1 3.44Å; E59-L280 HydrophobicContact CB-CD1 4.02Å; E59-L280 HydrophobicContact CB-CD2 3.68Å; E59-L280 HydrophobicContact CB-CG 4.5Å; E59-L280 HydrophobicContact CG-CD2 3.88Å; E59-L280 VanDerWaalsContact N-CD1 3.28Å; M172-L280 HydrophobicContact SD-CD1 3.87Å; M172-L280 HydrophobicContact SD-CG 3.86Å; L280-I282 HydrophobicContact CB-CD1 3.62Å; L280-I282 HydrophobicContact CB-CG1 3.8Å; L280-I282 HydrophobicContact CD1-CD1 3.89Å; L280-I282 HydrophobicContact CG-CD1 4.4Å; L280-I282 PolarHBondContact O-N 3.22Å
281N62.1Low70.1Confident136 Ų13663.7 Ų63.773%0.72735%0.346SS*.  trans-74.168.4169.1-78.8-38.3000110.5L279 G283L279-N281 PolarHBondContact O-N 3.29Å; N281-G283 PolarHBondContact O-N 3.39Å
282I57.2Low68.4Low68 Ų6858 Ų5835%0.34933%0.327SS..  trans-847.8172.4-58.3156.7000110.5V168 L280V168-I282 HydrophobicContact CG1-CD1 3.81Å; V168-I282 HydrophobicContact CG2-CD1 4.48Å; L280-I282 HydrophobicContact CB-CD1 3.62Å; L280-I282 HydrophobicContact CB-CG1 3.8Å; L280-I282 HydrophobicContact CD1-CD1 3.89Å; L280-I282 HydrophobicContact CG-CD1 4.4Å; L280-I282 PolarHBondContact O-N 3.22Å
283G52.9Low67.3Low26 Ų2658.9 Ų58.927%0.26833%0.334SS..PPolyproline II helixtrans-85.1143-169.100000115.2N281N281-G283 PolarHBondContact O-N 3.39Å
284S55.1Low66.8Low79 Ų7953.9 Ų53.955%0.55231%0.311SS*.PPolyproline II helixtrans-80.4156.3154.8-45.60000109.8V286S284-V286 PolarHBondContact O-N 2.78Å
285E54.2Low66.3Low138 Ų13852.4 Ų52.465%0.64530%0.304SS*.EExtended strand (participates in β ladder)trans-67.1121.2170.6-163.1177.6175.600110G288E285-G288 WeakPolarHBondContact OE1-CA 3.38Å
286V56.8Low66Low6 Ų652.2 Ų52.24%0.03630%0.302CS..EExtended strand (participates in β ladder)trans-125.8116.3178.3-175.60000108.6F198 S284 Q289 K291 T295 L296 V299 W496F198-V286 HydrophobicContact CD1-CG1 4.26Å; F198-V286 HydrophobicContact CE1-CG1 4.1Å; S284-V286 PolarHBondContact O-N 2.78Å; V286-Q289 PolarHBondContact N-O 3.19Å; V286-Q289 PolarHBondContact O-N 3.27Å; V286-Q289 VanDerWaalsContact O-O 3.09Å; V286-K291 HydrophobicContact CB-CD 4.5Å; V286-T295 HydrophobicContact CG1-CG2 4Å; V286-L296 HydrophobicContact CG2-CD2 3.36Å; V286-L296 HydrophobicContact CG2-CG 4.12Å; V286-V299 HydrophobicContact CG1-CG2 3.88Å; V286-W496 HydrophobicContact CG1-CZ2 3.81Å
287D58.4Low65.9Low64 Ų6453 Ų5334%0.34230%0.301SS..THydrogen-bonded Turntrans61.344.8179.8-17441000111.8Q289 K291 L495D287-Q289 PolarHBondContact O-N 2.78Å; D287-K291 IonicContact OD2-NZ 2.86Å; D287-L495 HydrophobicContact CB-CD2 3.88Å
288G52.6Low66.2Low60 Ų6053.1 Ų53.162%0.61930%0.301SS*.THydrogen-bonded Turntrans69.810.8179.500000115.1E285E285-G288 WeakPolarHBondContact OE1-CA 3.38Å
289Q50.4Low66.7Low115 Ų11551.7 Ų51.754%0.53729%0.294SS..EExtended strand (participates in β ladder)trans-130.7130.1-179.2-66.3-178.7-6.800109.3V286 D287 K291V286-Q289 PolarHBondContact N-O 3.19Å; V286-Q289 PolarHBondContact O-N 3.27Å; V286-Q289 VanDerWaalsContact O-O 3.09Å; D287-Q289 PolarHBondContact O-N 2.78Å; Q289-K291 HydrophobicContact CB-CD 4.41Å; Q289-K291 HydrophobicContact CB-CG 3.91Å; Q289-K291 PolarHBondContact O-N 3.47Å
290V50.3Low67.3Low86 Ų8655.5 Ų55.552%0.52131%0.312SS..EExtended strand (participates in β ladder)trans-64.7105.5163.2-179.30000105.9
291K53.9Low68.4Low26 Ų2655.8 Ų55.811%0.11331%0.313CS..  trans-106.6144.7-176.8-78.8179.5178.1151.40110.1V286 D287 Q289 T295V286-K291 HydrophobicContact CB-CD 4.5Å; D287-K291 IonicContact OD2-NZ 2.86Å; Q289-K291 HydrophobicContact CB-CD 4.41Å; Q289-K291 HydrophobicContact CB-CG 3.91Å; Q289-K291 PolarHBondContact O-N 3.47Å; K291-T295 HydrophobicContact CD-CG2 3.68Å
292I59.8Low69.9Low46 Ų4649.7 Ų49.724%0.23628%0.28CS..  trans-50.7162.7164.949.2163.4000113.1E252 L279 S294 T295E252-I292 VanDerWaalsContact OE1-CG2 3.31Å; E252-I292 WeakPolarHBondContact OE1-CG2 3.41Å; E252-I292 WeakPolarHBondContact OE2-CG2 3.44Å; L279-I292 HydrophobicContact CD1-CG2 4.3Å; I292-S294 WeakPolarHBondContact CD1-OG 3.36Å; I292-S294 PolarHBondContact O-N 3.4Å; I292-S294 VanDerWaalsContact O-N 3.09Å; I292-T295 PolarHBondContact O-N 3.29Å
293S72.4Confident71.5Confident25 Ų2546.4 Ų46.418%0.17526%0.263CS..Hα-helixtrans-60.5-19.2-175.435.80000115.5H167 T295 L296 K297H167-S293 PolarHBondContact CD2-OG 3.17Å; H167-S293 PolarHBondContact CE1-OG 2.92Å; H167-S293 PolarHBondContact ND1-OG 3.09Å; H167-S293 PolarHBondContact NE2-OG 3.41Å; S293-T295 VanDerWaalsContact C-N 3.32Å; S293-T295 PolarHBondContact O-N 3.41Å; S293-L296 PolarHBondContact O-N 3.2Å; S293-K297 WeakPolarHBondContact O-CB 3.41Å; S293-K297 WeakPolarHBondContact O-CG 3.19Å; S293-K297 PolarHBondContact O-N 2.96Å
294S83.5Confident73.3Confident1 Ų151.5 Ų51.51%0.00727%0.274CS..Hα-helixtrans-66.6-36.1177.8-10.10000111.6H167 H170 I292 R298H167-S294 PolarHBondContact CD2-N 3.18Å; H167-S294 PolarHBondContact NE2-N 3.26Å; H167-S294 PolarHBondContact NE2-OG 3.18Å; H170-S294 PolarHBondContact CE1-OG 3.36Å; H170-S294 PolarHBondContact NE2-OG 2.77Å; I292-S294 WeakPolarHBondContact CD1-OG 3.36Å; I292-S294 PolarHBondContact O-N 3.4Å; I292-S294 VanDerWaalsContact O-N 3.09Å; S294-R298 WeakPolarHBondContact O-CG 3.26Å; S294-R298 PolarHBondContact O-N 3.14Å; S294-R298 PolarHBondContact O-NE 2.68Å
295T84.9Confident74.9Confident12 Ų1250 Ų507%0.07426%0.26CS..Hα-helixtrans-72.6-42.6174.7-54.80000110.5F198 V286 K291 I292 S293 K297 R298 V299F198-T295 HydrophobicContact CB-CG2 4.46Å; F198-T295 HydrophobicContact CD1-CG2 3.77Å; V286-T295 HydrophobicContact CG1-CG2 4Å; K291-T295 HydrophobicContact CD-CG2 3.68Å; I292-T295 PolarHBondContact O-N 3.29Å; S293-T295 VanDerWaalsContact C-N 3.32Å; S293-T295 PolarHBondContact O-N 3.41Å; T295-K297 VanDerWaalsContact C-N 3.31Å; T295-K297 PolarHBondContact O-N 3.21Å; T295-R298 PolarHBondContact O-N 3.41Å; T295-R298 PolarHBondContact OG1-NH2 3.26Å; T295-R298 VanDerWaalsContact OG1-NH2 3.15Å; T295-V299 HydrophobicContact CG2-CG2 4.48Å; T295-V299 WeakPolarHBondContact O-CG2 3.3Å; T295-V299 PolarHBondContact O-N 2.84Å
296L84Confident76.2Confident28 Ų2846.4 Ų46.415%0.14724%0.242CC..Hα-helixtrans-59.6-41.5175.7-70.6165000112V286 S293 R298 V299 E300V286-L296 HydrophobicContact CG2-CD2 3.36Å; V286-L296 HydrophobicContact CG2-CG 4.12Å; S293-L296 PolarHBondContact O-N 3.2Å; L296-R298 VanDerWaalsContact C-N 3.34Å; L296-R298 PolarHBondContact O-N 3.15Å; L296-V299 CarbonylContact O-C 3.57Å; L296-V299 WeakPolarHBondContact O-CA 3.42Å; L296-V299 WeakPolarHBondContact O-CB 3.44Å; L296-V299 PolarHBondContact O-N 3.13Å; L296-V299 VanDerWaalsContact O-N 3.09Å; L296-E300 WeakPolarHBondContact O-CG 3.34Å; L296-E300 PolarHBondContact O-N 3Å
297K86.9Confident77.6Confident76 Ų7649.7 Ų49.733%0.3326%0.256SS..Hα-helixtrans-58.1-45.1175.2-74-74.5159.4-142.40111.6H165 S293 T295 V299 E300 M301H165-K297 HydrophobicContact CB-CB 4.09Å; H165-K297 HydrophobicContact CB-CG 4.39Å; S293-K297 WeakPolarHBondContact O-CB 3.41Å; S293-K297 WeakPolarHBondContact O-CG 3.19Å; S293-K297 PolarHBondContact O-N 2.96Å; T295-K297 VanDerWaalsContact C-N 3.31Å; T295-K297 PolarHBondContact O-N 3.21Å; K297-V299 VanDerWaalsContact C-N 3.34Å; K297-V299 PolarHBondContact O-N 3Å; K297-E300 IonicContact NZ-OE1 3.34Å; K297-E300 IonicContact NZ-OE2 3.85Å; K297-E300 PolarHBondContact NZ-OE2 3.29Å; K297-E300 WeakPolarHBondContact O-CB 3.46Å; K297-E300 PolarHBondContact O-N 3.46Å; K297-M301 VanDerWaalsContact O-CG 3.25Å; K297-M301 WeakPolarHBondContact O-CG 2.97Å; K297-M301 PolarHBondContact O-N 3.32Å
298R91.5Very high79Confident8 Ų853.4 Ų53.43%0.0327%0.274CS..Hα-helixtrans-66.4-34.1175-69.8179.1-71.5158.19.5113D164 F198 L199 L202 S294 T295 L296 M301D164-R298 WeakPolarHBondContact OD2-CD 3.32Å; D164-R298 WeakPolarHBondContact OD2-CG 3.47Å; D164-R298 IonicContact OD2-NE 3.12Å; D164-R298 PolarHBondContact OD2-NE 3.19Å; F198-R298 PolarHBondContact O-NH1 3.43Å; F198-R298 PolarHBondContact O-NH2 3.05Å; L199-R298 HydrophobicContact CB-CB 4.18Å; L199-R298 HydrophobicContact CD1-CB 4.19Å; L199-R298 WeakPolarHBondContact O-CD 3.33Å; L199-R298 PolarHBondContact O-NH1 3.26Å; L202-R298 HydrophobicContact CB-CB 4.28Å; L202-R298 HydrophobicContact CB-CG 4.01Å; L202-R298 WeakPolarHBondContact CD1-O 2.71Å; S294-R298 WeakPolarHBondContact O-CG 3.26Å; S294-R298 PolarHBondContact O-N 3.14Å; S294-R298 PolarHBondContact O-NE 2.68Å; T295-R298 PolarHBondContact O-N 3.41Å; T295-R298 PolarHBondContact OG1-NH2 3.26Å; T295-R298 VanDerWaalsContact OG1-NH2 3.15Å; L296-R298 VanDerWaalsContact C-N 3.34Å; L296-R298 PolarHBondContact O-N 3.15Å; R298-M301 HydrophobicContact CG-SD 4.44Å; R298-M301 WeakPolarHBondContact O-CB 3.37Å; R298-M301 PolarHBondContact O-N 3.22Å
299V90.6Very high80.5Confident35 Ų3550.9 Ų50.921%0.21225%0.247CC..Hα-helixtrans-67.9-40.7172.8174.10000111.3F198 L199 V286 T295 L296 K297 M301 L302 W496F198-V299 HydrophobicContact CD1-CG2 4.42Å; F198-V299 HydrophobicContact CE1-CG2 3.86Å; L199-V299 HydrophobicContact CD1-CG2 3.91Å; V286-V299 HydrophobicContact CG1-CG2 3.88Å; T295-V299 HydrophobicContact CG2-CG2 4.48Å; T295-V299 WeakPolarHBondContact O-CG2 3.3Å; T295-V299 PolarHBondContact O-N 2.84Å; L296-V299 CarbonylContact O-C 3.57Å; L296-V299 WeakPolarHBondContact O-CA 3.42Å; L296-V299 WeakPolarHBondContact O-CB 3.44Å; L296-V299 PolarHBondContact O-N 3.13Å; L296-V299 VanDerWaalsContact O-N 3.09Å; K297-V299 VanDerWaalsContact C-N 3.34Å; K297-V299 PolarHBondContact O-N 3Å; V299-M301 PolarHBondContact O-N 3.27Å; V299-L302 HydrophobicContact CG1-CD1 4.31Å; V299-L302 VanDerWaalsContact O-CB 3.28Å; V299-L302 WeakPolarHBondContact O-CB 3.32Å; V299-L302 WeakPolarHBondContact O-CG 3.4Å; V299-L302 PolarHBondContact O-N 3.03Å; V299-W496 HydrophobicContact CG1-CH2 3.87Å; V299-W496 HydrophobicContact CG1-CZ3 4.36Å; V299-W496 HydrophobicContact CG2-CH2 3.81Å; V299-W496 HydrophobicContact CG2-CZ2 4.27Å
300E87.8Confident81.7Confident103 Ų10354.6 Ų54.648%0.48126%0.261SS..Hα-helixtrans-62-24.5176.1-74.2172.6179.200112.9L296 K297 L302 R304L296-E300 WeakPolarHBondContact O-CG 3.34Å; L296-E300 PolarHBondContact O-N 3Å; K297-E300 IonicContact NZ-OE1 3.34Å; K297-E300 IonicContact NZ-OE2 3.85Å; K297-E300 PolarHBondContact NZ-OE2 3.29Å; K297-E300 WeakPolarHBondContact O-CB 3.46Å; K297-E300 PolarHBondContact O-N 3.46Å; E300-L302 VanDerWaalsContact C-N 3.34Å; E300-R304 VanDerWaalsContact O-CD 3.3Å; E300-R304 WeakPolarHBondContact O-CD 3.45Å; E300-R304 PolarHBondContact O-NE 2.92Å
301M91.8Very high82.9Confident34 Ų3452.9 Ų52.917%0.16725%0.254CS..THydrogen-bonded Turntrans-77.5-16.9175.7-65.8163.276.700113.4H165 L202 K297 R298 V299 R304 F306H165-M301 VanDerWaalsContact CE1-SD 3.55Å; H165-M301 WeakPolarHBondContact NE2-CE 3.4Å; H165-M301 PolarHBondContact NE2-SD 3.44Å; H165-M301 VanDerWaalsContact NE2-SD 3.41Å; L202-M301 HydrophobicContact CB-CE 4.42Å; L202-M301 HydrophobicContact CD1-CB 4.32Å; K297-M301 VanDerWaalsContact O-CG 3.25Å; K297-M301 WeakPolarHBondContact O-CG 2.97Å; K297-M301 PolarHBondContact O-N 3.32Å; R298-M301 HydrophobicContact CG-SD 4.44Å; R298-M301 WeakPolarHBondContact O-CB 3.37Å; R298-M301 PolarHBondContact O-N 3.22Å; V299-M301 PolarHBondContact O-N 3.27Å; M301-R304 WeakPolarHBondContact O-CB 3.2Å; M301-R304 PolarHBondContact O-N 2.82Å; M301-R304 VanDerWaalsContact O-N 3.14Å; M301-F306 HydrophobicContact CE-CD2 3.36Å; M301-F306 HydrophobicContact CE-CE2 3.55Å
302L93.3Very high83.9Confident7 Ų757.6 Ų57.64%0.03727%0.271CS..THydrogen-bonded Turntrans-62.9140.7178.9-63.5174.5000111.2L199 L202 V299 E300 R304 V491 C493 W496 Q504L199-L302 HydrophobicContact CD1-CD1 4.07Å; L199-L302 HydrophobicContact CD1-CD2 4.11Å; L199-L302 HydrophobicContact CD1-CG 4.18Å; L199-L302 HydrophobicContact CD2-CD2 4.02Å; L202-L302 HydrophobicContact CD1-CD2 4.12Å; V299-L302 HydrophobicContact CG1-CD1 4.31Å; V299-L302 VanDerWaalsContact O-CB 3.28Å; V299-L302 WeakPolarHBondContact O-CB 3.32Å; V299-L302 WeakPolarHBondContact O-CG 3.4Å; V299-L302 PolarHBondContact O-N 3.03Å; E300-L302 VanDerWaalsContact C-N 3.34Å; L302-R304 PolarHBondContact O-N 2.77Å; L302-V491 CarbonylContact C-O 3.47Å; L302-V491 WeakPolarHBondContact CA-O 2.84Å; L302-V491 HydrophobicContact CD2-CB 4.17Å; L302-V491 HydrophobicContact CD2-CG1 3.85Å; L302-V491 WeakPolarHBondContact CD2-O 3.47Å; L302-C493 HydrophobicContact CD1-CB 3.5Å; L302-C493 HydrophobicContact CD2-CB 4.1Å; L302-C493 HydrophobicContact CG-CB 4.46Å; L302-W496 HydrophobicContact CD1-CH2 4.12Å; L302-W496 HydrophobicContact CD1-CZ3 3.78Å; L302-Q504 HydrophobicContact CB-CG 3.99Å
303G91.4Very high84.7Confident0 Ų057.4 Ų57.40%027%0.272CS..THydrogen-bonded Turntrans69.94.9-175.700000114.6V491 Q504 F508G303-V491 PolarHBondContact N-O 3.37Å; G303-Q504 VanDerWaalsContact CA-O 3.32Å; G303-Q504 WeakPolarHBondContact CA-O 3.34Å; G303-F508 VanDerWaalsContact O-CA 3.32Å; G303-F508 WeakPolarHBondContact O-CA 3.24Å; G303-F508 VanDerWaalsContact O-CB 3.27Å; G303-F508 WeakPolarHBondContact O-CB 3.31Å; G303-F508 PolarHBondContact O-N 2.78Å
304R90.1Very high84.6Confident133 Ų13361.9 Ų61.950%0.50230%0.299SS..SBendtrans-107.1158.5174.3-56.9-178.7-174.3-91.7-2.6110.5E300 M301 L302 F306E300-R304 VanDerWaalsContact O-CD 3.3Å; E300-R304 WeakPolarHBondContact O-CD 3.45Å; E300-R304 PolarHBondContact O-NE 2.92Å; M301-R304 WeakPolarHBondContact O-CB 3.2Å; M301-R304 PolarHBondContact O-N 2.82Å; M301-R304 VanDerWaalsContact O-N 3.14Å; L302-R304 PolarHBondContact O-N 2.77Å; R304-F306 PolarHBondContact O-N 3.2Å; R304-F306 VanDerWaalsContact O-N 3.08Å
305L88.3Confident84.2Confident47 Ų4765.4 Ų65.425%0.24632%0.323CS..BIsolated β-bridgetrans-69.1107.2172.8-169.175.3000109.5K307 P309 N489 V490L305-K307 WeakPolarHBondContact CD1-O 3.49Å; L305-P309 HydrophobicContact CD1-CG 4.07Å; L305-N489 HydrophobicContact CD1-CB 4.13Å; L305-V490 HydrophobicContact CD1-CG2 4.11Å
306F81.7Confident84.1Confident62 Ų6267.3 Ų67.327%0.27233%0.333SS..  trans-86.4-40.4177.7169.5-119.6000111.6L202 M301 R304 N489L202-F306 HydrophobicContact CD2-CB 4.48Å; L202-F306 HydrophobicContact CD2-CD1 3.8Å; L202-F306 HydrophobicContact CD2-CD2 3.97Å; L202-F306 HydrophobicContact CD2-CE1 3.89Å; L202-F306 HydrophobicContact CD2-CE2 4.07Å; L202-F306 HydrophobicContact CD2-CG 3.82Å; L202-F306 HydrophobicContact CD2-CZ 4.03Å; M301-F306 HydrophobicContact CE-CD2 3.36Å; M301-F306 HydrophobicContact CE-CE2 3.55Å; R304-F306 PolarHBondContact O-N 3.2Å; R304-F306 VanDerWaalsContact O-N 3.08Å; F306-N489 PolarHBondContact N-O 3.4Å
307K86.6Confident84.3Confident75 Ų7566.9 Ų66.933%0.32633%0.332SS..SBendtrans-127.4135.2176.2-73.8173-178.7160.40110.7L305 F485 G486 N489L305-K307 WeakPolarHBondContact CD1-O 3.49Å; K307-F485 PolarHBondContact NZ-O 3.2Å; K307-G486 VanDerWaalsContact NZ-C 3.34Å; K307-G486 PolarHBondContact NZ-O 3.19Å; K307-N489 PolarHBondContact N-O 3.19Å; K307-N489 WeakPolarHBondContact O-CB 3.44Å; K307-N489 PolarHBondContact O-ND2 3.2Å
308I86.6Confident84.4Confident142 Ų14264 Ų6473%0.72832%0.319SS*.  trans-62.4129.9177.5-58.9172.7000109.1N489I308-N489 PolarHBondContact O-ND2 3.31Å
309P84.4Confident84.4Confident8 Ų864.4 Ų64.45%0.05232%0.322CS..  trans-64.2144.2177.7-19.332.8000111.3L305 S311 R312 E444 N489L305-P309 HydrophobicContact CD1-CG 4.07Å; P309-S311 PolarHBondContact O-N 3.09Å; P309-R312 HydrophobicContact CB-CG 4.5Å; P309-E444 HydrophobicContact CB-CB 4.4Å; P309-E444 HydrophobicContact CB-CG 4.37Å; P309-E444 HydrophobicContact CG-CB 4.35Å; P309-E444 HydrophobicContact CG-CG 3.9Å; P309-E444 WeakPolarHBondContact CG-OE2 3.49Å; P309-N489 WeakPolarHBondContact CA-ND2 3.3Å
310K76.5Confident84.6Confident192 Ų19262.8 Ų62.884%0.83531%0.312SS*.SBendtrans-60.6-29.7178.5-67.5177.8-176167.50112.1E439K310-E439 IonicContact NZ-OE1 3.15Å; K310-E439 PolarHBondContact NZ-OE1 2.91Å
311S74.1Confident84.9Confident51 Ų5157.9 Ų57.936%0.35729%0.289SS..  trans-137.6143.1177.572.80000111.3P309P309-S311 PolarHBondContact O-N 3.09Å
312R74.8Confident85.2Confident125 Ų12556.2 Ų56.247%0.47228%0.281SS..  trans-130.476.1171.1-74.6-178.4170.1-154.8-14.6108.9P309P309-R312 HydrophobicContact CB-CG 4.5Å
313P77.3Confident85.3Confident41 Ų4155.9 Ų55.927%0.26628%0.279SS..  trans-62.4147177.825.7-32.1000110.4Y318 H443P313-Y318 HydrophobicContact CG-CD2 4.34Å; P313-Y318 HydrophobicContact CG-CE2 4.49Å; P313-H443 HydrophobicContact CG-CB 4.46Å; P313-H443 WeakPolarHBondContact CG-CE1 3.24Å; P313-H443 WeakPolarHBondContact CG-ND1 3.35Å
314T70.3Confident85.4Confident120 Ų12056 Ų5674%0.73628%0.28SS*.SBendtrans-87.1-11.7176.352.40000112.5
315S76.3Confident85.4Confident74 Ų7451.2 Ų51.252%0.51727%0.272SS..SBendtrans-88.5144.3179.856.30000112.4
316N81.2Confident85.4Confident53 Ų5351.4 Ų51.428%0.28327%0.273SS..SBendtrans-78.2150168.1-67.1-29000111.5
317P88.3Confident85.9Confident18 Ų1849.5 Ų49.512%0.11727%0.268CS..PPolyproline II helixcis-80.1148.5-6.430.8-32.7000112.6I319 I416 N423 V426 H443P317-I319 HydrophobicContact CG-CG1 4.28Å; P317-I416 HydrophobicContact CG-CG2 4.18Å; P317-N423 WeakPolarHBondContact CA-O 3.43Å; P317-N423 WeakPolarHBondContact CB-O 3.5Å; P317-V426 HydrophobicContact CB-CB 4.24Å; P317-V426 HydrophobicContact CB-CG2 3.53Å; P317-V426 HydrophobicContact CG-CG2 3.89Å; P317-H443 PolarHBondContact O-CE1 2.88Å
318Y88.8Confident86.1Confident17 Ų1746 Ų467%0.06725%0.254CS..EExtended strand (participates in β ladder)trans-78.3117.1162.4-164.7-97.5000109.6P313 I320 R424 I425 V426 H443 E444 I514P313-Y318 HydrophobicContact CG-CD2 4.34Å; P313-Y318 HydrophobicContact CG-CE2 4.49Å; Y318-I320 HydrophobicContact CD1-CD1 4.38Å; Y318-I320 HydrophobicContact CD1-CG1 3.94Å; Y318-I320 HydrophobicContact CE1-CG1 4.08Å; Y318-R424 PolarHBondContact N-O 3.23Å; Y318-I425 VanDerWaalsContact O-CA 3.31Å; Y318-I425 WeakPolarHBondContact O-CA 3.49Å; Y318-V426 PolarHBondContact O-N 2.9Å; Y318-H443 HydrophobicContact CD2-CB 4.44Å; Y318-H443 AromaticContact CD2-ND1 3.83Å; Y318-H443 HydrophobicContact CE1-CB 4.47Å; Y318-H443 HydrophobicContact CE2-CB 3.91Å; Y318-E444 HydrophobicContact CE1-CB 4.01Å; Y318-E444 PolarHBondContact OH-OE2 3.41Å; Y318-I514 HydrophobicContact CD1-CD1 4.48Å; Y318-I514 HydrophobicContact CD1-CG2 4.2Å; Y318-I514 HydrophobicContact CE1-CD1 4.21Å; Y318-I514 HydrophobicContact CG-CG2 4.27Å
319I92.7Very high86.4Confident16 Ų1640 Ų408%0.08223%0.227CC..EExtended strand (participates in β ladder)trans-99.4121.8-171.3-52160.9000109.9P317 I416 V426 V428 V442 H443 E444P317-I319 HydrophobicContact CG-CG1 4.28Å; I319-I416 HydrophobicContact CD1-CD1 4.16Å; I319-I416 HydrophobicContact CD1-CG2 3.83Å; I319-I416 HydrophobicContact CG1-CG2 4.38Å; I319-I416 HydrophobicContact CG2-CD1 4.23Å; I319-V426 CarbonylContact C-O 3.6Å; I319-V426 WeakPolarHBondContact CA-O 3.42Å; I319-V428 HydrophobicContact CG2-CG2 3.92Å; I319-V442 HydrophobicContact CG2-CB 4.03Å; I319-V442 HydrophobicContact CG2-CG1 3.8Å; I319-H443 PolarHBondContact N-CE1 3.21Å; I319-H443 PolarHBondContact N-ND1 3.46Å; I319-H443 PolarHBondContact O-N 3.01Å; I319-E444 PolarHBondContact O-N 2.82Å
320I93.5Very high86.9Confident0 Ų040.5 Ų40.50%023%0.228CC..EExtended strand (participates in β ladder)trans-110.9128178.1-63168.8000108.4Y318 I425 V426 V427 V428 E444 W446Y318-I320 HydrophobicContact CD1-CD1 4.38Å; Y318-I320 HydrophobicContact CD1-CG1 3.94Å; Y318-I320 HydrophobicContact CE1-CG1 4.08Å; I320-I425 HydrophobicContact CD1-CG2 3.71Å; I320-I425 HydrophobicContact CG1-CG2 4.43Å; I320-V426 PolarHBondContact N-O 3.43Å; I320-V427 CarbonylContact O-C 3.55Å; I320-V427 VanDerWaalsContact O-CA 3.27Å; I320-V427 WeakPolarHBondContact O-CA 3.19Å; I320-V428 PolarHBondContact O-N 2.79Å; I320-E444 CarbonylContact C-O 3.54Å; I320-E444 WeakPolarHBondContact CA-O 3.44Å; I320-W446 HydrophobicContact CD1-CH2 4.07Å; I320-W446 HydrophobicContact CD1-CZ2 3.62Å; I320-W446 HydrophobicContact CG2-CB 4.1Å; I320-W446 HydrophobicContact CG2-CD2 3.46Å; I320-W446 VanDerWaalsContact CG2-CD2 3.46Å; I320-W446 HydrophobicContact CG2-CE3 4.07Å; I320-W446 HydrophobicContact CG2-CG 3.46Å; I320-W446 VanDerWaalsContact CG2-CG 3.46Å; I320-W446 HydrophobicContact CG2-CZ2 4.4Å
321G95.9Very high87.6Confident0 Ų034.5 Ų34.50%021%0.21CC..EExtended strand (participates in β ladder)trans-92.1115.6169.900000110.7V428 E444 V445 W446G321-V428 CarbonylContact C-O 3.52Å; G321-V428 WeakPolarHBondContact CA-O 2.73Å; G321-E444 PolarHBondContact N-O 3.09Å; G321-V445 CarbonylContact O-C 3.57Å; G321-W446 PolarHBondContact O-N 3.42Å
322L97Very high88.5Confident0 Ų037.1 Ų37.10%022%0.215CC..EExtended strand (participates in β ladder)trans-98.1110.3175.7-17568.4000110.4K330 I333 C334 V427 V428 A430 W446L322-K330 HydrophobicContact CD2-CB 4.2Å; L322-K330 WeakPolarHBondContact CD2-O 3.1Å; L322-K330 HydrophobicContact CG-CG 4.49Å; L322-I333 HydrophobicContact CD1-CG2 4.21Å; L322-I333 HydrophobicContact CD2-CB 4.07Å; L322-I333 HydrophobicContact CD2-CG2 3.86Å; L322-C334 WeakPolarHBondContact CD2-SG 3.31Å; L322-V427 HydrophobicContact CB-CG1 3.8Å; L322-V428 PolarHBondContact N-O 3.38Å; L322-A430 PolarHBondContact O-N 2.79Å; L322-W446 WeakPolarHBondContact CA-O 3.29Å; L322-W446 HydrophobicContact CD1-CB 3.68Å
323T95.7Very high89.4Confident0 Ų031.2 Ų31.20%019%0.193CC..EExtended strand (participates in β ladder)trans-117.4174.3178.6-167.60000112.1A430 A431 L433 L434 V445 W446 L447 T448T323-A430 WeakPolarHBondContact CA-O 3.38Å; T323-A430 PolarHBondContact OG1-O 2.94Å; T323-A431 PolarHBondContact OG1-O 2.86Å; T323-L433 HydrophobicContact CG2-CD2 4.39Å; T323-L434 HydrophobicContact CG2-CD1 4.18Å; T323-L434 HydrophobicContact CG2-CG 4.31Å; T323-V445 HydrophobicContact CG2-CG1 4.04Å; T323-W446 PolarHBondContact N-O 2.9Å; T323-L447 HydrophobicContact CG2-CD1 4.15Å; T323-L447 CarbonylContact O-C 3.57Å; T323-T448 PolarHBondContact O-N 2.79Å
324G92.9Very high90.2Very high3 Ų329.3 Ų29.33%0.03118%0.181CC..EExtended strand (participates in β ladder)trans148.5160.4178.700000112.8K330 T448G324-K330 PolarHBondContact O-NZ 2.75Å; G324-T448 VanDerWaalsContact CA-O 3.31Å; G324-T448 WeakPolarHBondContact CA-O 3.17Å
325G89.8Confident91.3Very high32 Ų3228.2 Ų28.233%0.3317%0.167SC..  trans-60.5173.2-178.100000114.6S328 K330G325-S328 WeakPolarHBondContact O-CB 3.07Å; G325-S328 PolarHBondContact O-N 3.39Å; G325-S328 PolarHBondContact O-OG 3.18Å; G325-K330 PolarHBondContact O-NZ 3.01Å
326I89.7Confident92.1Very high50 Ų5026.6 Ų26.626%0.25615%0.15SC..THydrogen-bonded Turntrans-59.8140172.2-167.3171.3000110S328 V459 R473 V474I326-S328 PolarHBondContact O-N 2.9Å; I326-V459 HydrophobicContact CD1-CG2 3.87Å; I326-V459 HydrophobicContact CG1-CG2 3.93Å; I326-V459 HydrophobicContact CG2-CG2 3.9Å; I326-R473 HydrophobicContact CD1-CB 4.23Å; I326-V474 HydrophobicContact CG2-CB 4.24Å; I326-V474 HydrophobicContact CG2-CG2 3.67Å
327A90.7Very high92.5Very high22 Ų2224.1 Ų24.118%0.18214%0.137CC..THydrogen-bonded Turntrans58.814.8179.900000115.9G329 R458 V459A327-G329 VanDerWaalsContact C-N 3.27Å; A327-G329 PolarHBondContact O-N 3.43Å; A327-R458 HydrophobicContact CB-CB 3.61Å; A327-R458 WeakPolarHBondContact O-CD 3.35Å; A327-R458 PolarHBondContact O-NH1 3.13Å; A327-V459 HydrophobicContact CB-CG2 4.02Å
328S92.2Very high92.7Very high2 Ų228.8 Ų28.81%0.01416%0.155CC..SBendtrans-75.8-8.5-179.472.90000115G325 I326 T448 S494G325-S328 WeakPolarHBondContact O-CB 3.07Å; G325-S328 PolarHBondContact O-N 3.39Å; G325-S328 PolarHBondContact O-OG 3.18Å; I326-S328 PolarHBondContact O-N 2.9Å; S328-T448 WeakPolarHBondContact CB-O 3.3Å; S328-T448 WeakPolarHBondContact O-CG2 3.35Å; S328-T448 PolarHBondContact OG-O 3.35Å; S328-S494 VanDerWaalsContact C-OG 3.3Å; S328-S494 WeakPolarHBondContact O-CB 3.48Å; S328-S494 PolarHBondContact O-OG 3.01Å
329G92.6Very high92.6Very high16 Ų1631.9 Ų31.917%0.16518%0.18CC..SBendtrans101.28.1175.700000116.2A327 S331 K332 I333A327-G329 VanDerWaalsContact C-N 3.27Å; A327-G329 PolarHBondContact O-N 3.43Å; G329-S331 VanDerWaalsContact C-N 3.31Å; G329-S331 PolarHBondContact O-N 2.9Å; G329-K332 WeakPolarHBondContact O-CB 3.29Å; G329-K332 PolarHBondContact O-N 2.91Å; G329-I333 PolarHBondContact O-N 3.02Å
330K94.9Very high92.2Very high18 Ų1833.2 Ų33.28%0.07818%0.184CC..Hα-helixtrans-44.7-51.2177.7-65.1-174.3-64.5-70.80113.6L322 G324 G325 K332 I333 C334 E429L322-K330 HydrophobicContact CD2-CB 4.2Å; L322-K330 WeakPolarHBondContact CD2-O 3.1Å; L322-K330 HydrophobicContact CG-CG 4.49Å; G324-K330 PolarHBondContact O-NZ 2.75Å; G325-K330 PolarHBondContact O-NZ 3.01Å; K330-K332 PolarHBondContact O-N 2.61Å; K330-I333 PolarHBondContact O-N 2.97Å; K330-I333 VanDerWaalsContact O-N 3.07Å; K330-C334 PolarHBondContact O-N 3.26Å; K330-E429 HydrophobicContact CB-CG 4.34Å
331S91.4Very high91.9Very high66 Ų6635.8 Ų35.846%0.46221%0.21SC..Hα-helixtrans-64.2-29.3-175.9-47.80000112.9G329 C334 E335 E429G329-S331 VanDerWaalsContact C-N 3.31Å; G329-S331 PolarHBondContact O-N 2.9Å; S331-C334 WeakPolarHBondContact O-CB 3.31Å; S331-C334 PolarHBondContact O-N 2.68Å; S331-E335 WeakPolarHBondContact O-CG 3.37Å; S331-E335 PolarHBondContact O-N 3.31Å; S331-E429 WeakPolarHBondContact CA-OE1 3.37Å; S331-E429 PolarHBondContact N-OE1 2.92Å; S331-E429 PolarHBondContact OG-OE1 3.46Å
332K92.7Very high91.6Very high107 Ų10736 Ų3647%0.46521%0.212SC..Hα-helixtrans-71.8-41173.5-69.8-67.6169.6-159.50112.2G329 K330 C334 E335 Y336G329-K332 WeakPolarHBondContact O-CB 3.29Å; G329-K332 PolarHBondContact O-N 2.91Å; K330-K332 PolarHBondContact O-N 2.61Å; K332-C334 VanDerWaalsContact C-N 3.31Å; K332-C334 PolarHBondContact O-N 2.81Å; K332-E335 WeakPolarHBondContact CD-OE2 3.29Å; K332-E335 IonicContact NZ-OE1 3.18Å; K332-E335 PolarHBondContact NZ-OE1 2.98Å; K332-E335 IonicContact NZ-OE2 3.09Å; K332-E335 PolarHBondContact NZ-OE2 3.3Å; K332-E335 WeakPolarHBondContact O-CB 3.32Å; K332-E335 PolarHBondContact O-N 3.39Å; K332-Y336 VanDerWaalsContact O-CD2 3.3Å; K332-Y336 WeakPolarHBondContact O-CD2 3.38Å; K332-Y336 PolarHBondContact O-N 3.12Å; K332-Y336 VanDerWaalsContact O-N 3.07Å
333I94Very high91.4Very high0 Ų038.4 Ų38.40%022%0.223CC..Hα-helixtrans-62.5-41.8172.3-68.1174.5000110.5L322 G329 K330 E335 Y336 L337 T448 F492 T501 V505L322-I333 HydrophobicContact CD1-CG2 4.21Å; L322-I333 HydrophobicContact CD2-CB 4.07Å; L322-I333 HydrophobicContact CD2-CG2 3.86Å; G329-I333 PolarHBondContact O-N 3.02Å; K330-I333 PolarHBondContact O-N 2.97Å; K330-I333 VanDerWaalsContact O-N 3.07Å; I333-E335 PolarHBondContact O-N 3.49Å; I333-Y336 PolarHBondContact O-N 3.31Å; I333-L337 HydrophobicContact CG2-CD1 3.79Å; I333-L337 HydrophobicContact CG2-CG 4.26Å; I333-L337 VanDerWaalsContact O-CG 3.32Å; I333-L337 WeakPolarHBondContact O-CG 3.37Å; I333-L337 PolarHBondContact O-N 2.75Å; I333-T448 HydrophobicContact CD1-CG2 3.48Å; I333-T448 VanDerWaalsContact CD1-CG2 3.48Å; I333-T448 WeakPolarHBondContact CD1-OG1 3.21Å; I333-F492 HydrophobicContact CD1-CB 3.45Å; I333-F492 VanDerWaalsContact CD1-CB 3.45Å; I333-F492 HydrophobicContact CD1-CD1 4.35Å; I333-F492 HydrophobicContact CD1-CD2 4.03Å; I333-F492 HydrophobicContact CD1-CG 3.68Å; I333-T501 HydrophobicContact CD1-CG2 4.39Å; I333-T501 HydrophobicContact CG1-CG2 4.01Å; I333-V505 HydrophobicContact CG1-CG2 4.33Å; I333-V505 HydrophobicContact CG2-CG2 4.29Å
334C94.4Very high91.4Very high2 Ų239.3 Ų39.31%0.01423%0.228CC..Hα-helixtrans-58.4-43.2172.7-75.50000112.9L322 K330 S331 K332 Y336 L337 K338 V344 E429L322-C334 WeakPolarHBondContact CD2-SG 3.31Å; K330-C334 PolarHBondContact O-N 3.26Å; S331-C334 WeakPolarHBondContact O-CB 3.31Å; S331-C334 PolarHBondContact O-N 2.68Å; K332-C334 VanDerWaalsContact C-N 3.31Å; K332-C334 PolarHBondContact O-N 2.81Å; C334-Y336 VanDerWaalsContact C-N 3.33Å; C334-Y336 PolarHBondContact O-N 3.45Å; C334-L337 PolarHBondContact O-N 3.05Å; C334-K338 VanDerWaalsContact O-CG 3.31Å; C334-K338 WeakPolarHBondContact O-CG 3.44Å; C334-K338 PolarHBondContact O-N 2.69Å; C334-V344 HydrophobicContact CB-CG1 3.99Å; C334-V344 HydrophobicContact CB-CG2 4.15Å; C334-E429 PolarHBondContact SG-OE2 2.89Å
335E93.4Very high91.6Very high97 Ų9739.4 Ų39.445%0.45323%0.228SC..Hα-helixtrans-58-44.8174.6-76.1168.9-158.600111.3S331 K332 I333 K338 S339S331-E335 WeakPolarHBondContact O-CG 3.37Å; S331-E335 PolarHBondContact O-N 3.31Å; K332-E335 WeakPolarHBondContact CD-OE2 3.29Å; K332-E335 IonicContact NZ-OE1 3.18Å; K332-E335 PolarHBondContact NZ-OE1 2.98Å; K332-E335 IonicContact NZ-OE2 3.09Å; K332-E335 PolarHBondContact NZ-OE2 3.3Å; K332-E335 WeakPolarHBondContact O-CB 3.32Å; K332-E335 PolarHBondContact O-N 3.39Å; I333-E335 PolarHBondContact O-N 3.49Å; E335-K338 PolarHBondContact O-N 3.09Å; E335-S339 PolarHBondContact O-N 3.03Å
336Y91.5Very high91.9Very high40 Ų4040.3 Ų40.316%0.15723%0.225CC..Hα-helixtrans-64.9-43.2176.3-61.2-38.1000112.6K332 I333 C334 K338 S339 W340 P498 T501 R502 V505K332-Y336 VanDerWaalsContact O-CD2 3.3Å; K332-Y336 WeakPolarHBondContact O-CD2 3.38Å; K332-Y336 PolarHBondContact O-N 3.12Å; K332-Y336 VanDerWaalsContact O-N 3.07Å; I333-Y336 PolarHBondContact O-N 3.31Å; C334-Y336 VanDerWaalsContact C-N 3.33Å; C334-Y336 PolarHBondContact O-N 3.45Å; Y336-K338 PolarHBondContact O-N 2.92Å; Y336-S339 WeakPolarHBondContact O-CB 3.23Å; Y336-S339 PolarHBondContact O-N 3.02Å; Y336-S339 VanDerWaalsContact O-N 3.11Å; Y336-S339 PolarHBondContact O-OG 2.93Å; Y336-W340 PolarHBondContact O-N 2.89Å; Y336-P498 WeakPolarHBondContact OH-CB 3.32Å; Y336-P498 PolarHBondContact OH-O 3.04Å; Y336-T501 HydrophobicContact CE2-CG2 4.42Å; Y336-R502 HydrophobicContact CD2-CB 4.24Å; Y336-R502 HydrophobicContact CE1-CB 4.41Å; Y336-R502 HydrophobicContact CE2-CB 3.85Å; Y336-V505 HydrophobicContact CD2-CG2 4.44Å
337L91.1Very high92.2Very high0 Ų038 Ų380%021%0.214CC..Hα-helixtrans-65.3-37.6178.6-69.2171.5000112.4I333 C334 S339 W340 A342 V427 W446 V505 F515I333-L337 HydrophobicContact CG2-CD1 3.79Å; I333-L337 HydrophobicContact CG2-CG 4.26Å; I333-L337 VanDerWaalsContact O-CG 3.32Å; I333-L337 WeakPolarHBondContact O-CG 3.37Å; I333-L337 PolarHBondContact O-N 2.75Å; C334-L337 PolarHBondContact O-N 3.05Å; L337-S339 VanDerWaalsContact C-N 3.27Å; L337-S339 PolarHBondContact O-N 3.06Å; L337-W340 HydrophobicContact CD2-CE3 3.97Å; L337-W340 HydrophobicContact CD2-CZ3 4.08Å; L337-W340 WeakPolarHBondContact O-CB 3.41Å; L337-W340 PolarHBondContact O-N 3.23Å; L337-A342 HydrophobicContact CB-CB 4.01Å; L337-A342 VanDerWaalsContact O-CB 3.24Å; L337-A342 WeakPolarHBondContact O-CB 3.48Å; L337-A342 PolarHBondContact O-N 3.25Å; L337-A342 VanDerWaalsContact O-N 3.09Å; L337-V427 HydrophobicContact CB-CG2 4.43Å; L337-V427 HydrophobicContact CD1-CG1 4.21Å; L337-V427 HydrophobicContact CD1-CG2 3.84Å; L337-W446 HydrophobicContact CD1-CE3 4.18Å; L337-W446 HydrophobicContact CD1-CZ3 3.78Å; L337-W446 HydrophobicContact CD2-CH2 4.18Å; L337-W446 HydrophobicContact CD2-CZ3 3.84Å; L337-W446 HydrophobicContact CG-CZ3 4.38Å; L337-V505 HydrophobicContact CD2-CG1 3.85Å; L337-V505 HydrophobicContact CG-CG1 4.4Å; L337-F515 HydrophobicContact CD2-CE1 4.48Å; L337-F515 HydrophobicContact CD2-CZ 3.82Å
338K91.5Very high92.2Very high117 Ų11741.3 Ų41.351%0.50923%0.228SC..Hα-helixtrans-58.8-39.4171.5-74.4173.9-175.8176.90111.9C334 E335 Y336 W340 G341 V344C334-K338 VanDerWaalsContact O-CG 3.31Å; C334-K338 WeakPolarHBondContact O-CG 3.44Å; C334-K338 PolarHBondContact O-N 2.69Å; E335-K338 PolarHBondContact O-N 3.09Å; Y336-K338 PolarHBondContact O-N 2.92Å; K338-W340 PolarHBondContact O-N 3.31Å; K338-W340 VanDerWaalsContact O-N 3.12Å; K338-G341 PolarHBondContact O-N 3.21Å; K338-V344 HydrophobicContact CD-CB 4.5Å; K338-V344 HydrophobicContact CD-CG2 4.21Å; K338-V344 VanDerWaalsContact CE-CB 3.46Å; K338-V344 HydrophobicContact CG-CB 4.23Å; K338-V344 HydrophobicContact CG-CG2 3.54Å
339S88Confident92.3Very high82 Ų8243.2 Ų43.257%0.57325%0.245SC*.Hα-helixtrans-62.7-17.8177.583.10000113.3E335 Y336 L337E335-S339 PolarHBondContact O-N 3.03Å; Y336-S339 WeakPolarHBondContact O-CB 3.23Å; Y336-S339 PolarHBondContact O-N 3.02Å; Y336-S339 VanDerWaalsContact O-N 3.11Å; Y336-S339 PolarHBondContact O-OG 2.93Å; L337-S339 VanDerWaalsContact C-N 3.27Å; L337-S339 PolarHBondContact O-N 3.06Å
340W83.1Confident92.3Very high44 Ų4443.1 Ų43.117%0.16724%0.24CC..THydrogen-bonded Turntrans-96.96.9174.1-60-6.2000113.9Y336 L337 K338 V505 D506 K509 F515Y336-W340 PolarHBondContact O-N 2.89Å; L337-W340 HydrophobicContact CD2-CE3 3.97Å; L337-W340 HydrophobicContact CD2-CZ3 4.08Å; L337-W340 WeakPolarHBondContact O-CB 3.41Å; L337-W340 PolarHBondContact O-N 3.23Å; K338-W340 PolarHBondContact O-N 3.31Å; K338-W340 VanDerWaalsContact O-N 3.12Å; W340-V505 HydrophobicContact CE3-CG1 4.44Å; W340-V505 HydrophobicContact CH2-CB 4.02Å; W340-V505 HydrophobicContact CH2-CG1 3.26Å; W340-V505 VanDerWaalsContact CH2-O 3.26Å; W340-V505 WeakPolarHBondContact CH2-O 3.25Å; W340-V505 HydrophobicContact CZ2-CB 4.36Å; W340-V505 HydrophobicContact CZ2-CG1 3.8Å; W340-V505 HydrophobicContact CZ3-CG1 3.6Å; W340-D506 WeakPolarHBondContact CZ2-OD1 3.17Å; W340-K509 HydrophobicContact CD2-CD 3.97Å; W340-K509 HydrophobicContact CE3-CB 4.38Å; W340-K509 HydrophobicContact CE3-CD 3.98Å; W340-K509 HydrophobicContact CE3-CG 4.41Å; W340-K509 HydrophobicContact CH2-CB 3.53Å; W340-K509 HydrophobicContact CH2-CD 3.92Å; W340-K509 HydrophobicContact CH2-CG 4.25Å; W340-K509 HydrophobicContact CZ2-CB 4.35Å; W340-K509 HydrophobicContact CZ2-CD 4.02Å; W340-K509 HydrophobicContact CZ3-CB 3.59Å; W340-K509 HydrophobicContact CZ3-CD 3.95Å; W340-K509 HydrophobicContact CZ3-CG 4.08Å; W340-F515 HydrophobicContact CB-CD1 4.01Å; W340-F515 HydrophobicContact CB-CE1 4.11Å; W340-F515 AromaticContact CE3-CD1 3.89Å; W340-F515 HydrophobicContact CE3-CD1 3.89Å; W340-F515 AromaticContact CE3-CD2 3.99Å; W340-F515 HydrophobicContact CE3-CD2 3.99Å; W340-F515 AromaticContact CE3-CE1 3.68Å; W340-F515 HydrophobicContact CE3-CE1 3.68Å; W340-F515 AromaticContact CE3-CE2 3.78Å; W340-F515 HydrophobicContact CE3-CE2 3.78Å; W340-F515 HydrophobicContact CE3-CG 4.06Å; W340-F515 AromaticContact CE3-CZ 3.63Å; W340-F515 HydrophobicContact CE3-CZ 3.63Å; W340-F515 HydrophobicContact CZ3-CD2 4.09Å; W340-F515 HydrophobicContact CZ3-CE1 4.49Å; W340-F515 AromaticContact CZ3-CE2 3.79Å; W340-F515 HydrophobicContact CZ3-CE2 3.79Å; W340-F515 HydrophobicContact CZ3-CZ 4.02Å
341G86.6Confident92Very high53 Ų5342.6 Ų42.655%0.54624%0.24SC..THydrogen-bonded Turntrans83.614.2-178.300000114.5K338K338-G341 PolarHBondContact O-N 3.21Å
342A90.1Very high91.8Very high6 Ų643.9 Ų43.95%0.0524%0.238CC..PPolyproline II helixtrans-72.3135.7169.900000110.6L337 I425 V427 F515L337-A342 HydrophobicContact CB-CB 4.01Å; L337-A342 VanDerWaalsContact O-CB 3.24Å; L337-A342 WeakPolarHBondContact O-CB 3.48Å; L337-A342 PolarHBondContact O-N 3.25Å; L337-A342 VanDerWaalsContact O-N 3.09Å; A342-I425 HydrophobicContact CB-CB 4.39Å; A342-I425 HydrophobicContact CB-CG2 4.07Å; A342-V427 HydrophobicContact CB-CG2 4.02Å; A342-F515 HydrophobicContact CB-CE1 4.38Å
343H93.8Very high91.6Very high50 Ų5044.8 Ų44.823%0.23124%0.242CC..EExtended strand (participates in β ladder)trans-83.7118.4170.7-174.477.2000109.9E415 V419 N423 I425 V426 V427H343-E415 IonicContact CD2-OE1 3.98Å; H343-E415 IonicContact CE1-OE1 3.54Å; H343-E415 IonicContact NE2-OE1 3.81Å; H343-E415 PolarHBondContact NE2-OE1 2.88Å; H343-V419 WeakPolarHBondContact NE2-CG1 3.32Å; H343-N423 HydrophobicContact CB-CB 4.29Å; H343-I425 PolarHBondContact N-O 3.48Å; H343-V426 HydrophobicContact CB-CG2 4.34Å; H343-V426 CarbonylContact O-C 3.55Å; H343-V426 VanDerWaalsContact O-CA 3.3Å; H343-V426 WeakPolarHBondContact O-CA 3.28Å; H343-V427 PolarHBondContact O-N 3.44Å
344V95.9Very high91.4Very high19 Ų1945 Ų4512%0.11524%0.244CC..EExtended strand (participates in β ladder)trans-100.5122.8-179.4178.90000110.6C334 K338 V427 E429C334-V344 HydrophobicContact CB-CG1 3.99Å; C334-V344 HydrophobicContact CB-CG2 4.15Å; K338-V344 HydrophobicContact CD-CB 4.5Å; K338-V344 HydrophobicContact CD-CG2 4.21Å; K338-V344 VanDerWaalsContact CE-CB 3.46Å; K338-V344 HydrophobicContact CG-CB 4.23Å; K338-V344 HydrophobicContact CG-CG2 3.54Å; V344-V427 CarbonylContact C-O 3.52Å; V344-V427 WeakPolarHBondContact CA-O 3.24Å; V344-V427 HydrophobicContact CG2-CB 4.12Å; V344-E429 HydrophobicContact CG1-CB 4.28Å
345I96.7Very high91Very high5 Ų546.8 Ų46.83%0.02625%0.251CS..EExtended strand (participates in β ladder)trans-96.3110.1170.8-54.2178.1000107.6L350 V412 E415 I416 V426 V427 V428 E429I345-L350 HydrophobicContact CG2-CD1 3.54Å; I345-L350 HydrophobicContact CG2-CG 4.37Å; I345-V412 HydrophobicContact CG2-CG2 4.2Å; I345-E415 HydrophobicContact CD1-CB 3.88Å; I345-E415 HydrophobicContact CD1-CG 3.49Å; I345-E415 VanDerWaalsContact CD1-CG 3.49Å; I345-E415 HydrophobicContact CG1-CB 4.47Å; I345-E415 HydrophobicContact CG1-CG 3.62Å; I345-E415 HydrophobicContact CG2-CG 4.2Å; I345-I416 HydrophobicContact CD1-CD1 4.49Å; I345-I416 HydrophobicContact CD1-CG1 3.6Å; I345-V426 HydrophobicContact CD1-CG1 3.51Å; I345-V426 HydrophobicContact CG1-CG1 3.91Å; I345-V427 PolarHBondContact N-O 3.31Å; I345-V428 HydrophobicContact CD1-CG2 4.45Å; I345-E429 PolarHBondContact O-N 3.42Å
346N96.6Very high90.7Very high50 Ų5046.6 Ų46.627%0.26725%0.25SC..EExtended strand (participates in β ladder)trans-90.3108.6177.4-177.9-63.5000110.1D348 A349 L350 E429N346-D348 VanDerWaalsContact C-N 3.32Å; N346-D348 PolarHBondContact O-N 3.29Å; N346-D348 WeakPolarHBondContact OD1-CB 3.33Å; N346-D348 PolarHBondContact OD1-N 3.19Å; N346-D348 VanDerWaalsContact OD1-N 3.14Å; N346-A349 HydrophobicContact CB-CB 4.21Å; N346-A349 PolarHBondContact O-N 3.19Å; N346-A349 PolarHBondContact OD1-N 3.06Å; N346-L350 PolarHBondContact O-N 2.85Å; N346-L350 VanDerWaalsContact O-N 3.08Å; N346-E429 PolarHBondContact ND2-OE2 2.82Å
347C95.9Very high90.4Very high3 Ų346.1 Ų46.12%0.0225%0.251CS..Hα-helixtrans-70.5-25.4-176.1-680000113.4A349 L350 G351 I408 V412 V428 E429 A430 W438C347-A349 VanDerWaalsContact C-N 3.34Å; C347-L350 PolarHBondContact O-N 2.88Å; C347-G351 PolarHBondContact O-N 3.2Å; C347-I408 HydrophobicContact CB-CG2 4.19Å; C347-V412 VanDerWaalsContact SG-CG2 3.55Å; C347-V428 VanDerWaalsContact SG-CG1 3.55Å; C347-E429 VanDerWaalsContact CB-O 3.3Å; C347-E429 WeakPolarHBondContact CB-O 3.29Å; C347-E429 PolarHBondContact N-O 3.02Å; C347-A430 HydrophobicContact CB-CB 3.77Å; C347-W438 HydrophobicContact CB-CZ3 3.94Å
348D90.8Very high89.9Confident90 Ų9056.5 Ų56.548%0.48129%0.292SS..Hα-helixtrans-65.6-41.4174-62.1-14.2000110.2N346 G351 H352N346-D348 VanDerWaalsContact C-N 3.32Å; N346-D348 PolarHBondContact O-N 3.29Å; N346-D348 WeakPolarHBondContact OD1-CB 3.33Å; N346-D348 PolarHBondContact OD1-N 3.19Å; N346-D348 VanDerWaalsContact OD1-N 3.14Å; D348-G351 PolarHBondContact O-N 2.72Å; D348-H352 PolarHBondContact O-N 2.77Å
349A92.9Very high89.7Confident43 Ų4353.3 Ų53.336%0.35528%0.282SS..Hα-helixtrans-69.1-35.5174.900000112.7N346 C347 H352 K353N346-A349 HydrophobicContact CB-CB 4.21Å; N346-A349 PolarHBondContact O-N 3.19Å; N346-A349 PolarHBondContact OD1-N 3.06Å; C347-A349 VanDerWaalsContact C-N 3.34Å; A349-H352 WeakPolarHBondContact O-CB 3.24Å; A349-H352 PolarHBondContact O-N 2.96Å; A349-K353 PolarHBondContact O-N 3.25Å
350L93.2Very high89.7Confident14 Ų1454.2 Ų54.27%0.07329%0.285CS..Hα-helixtrans-66.8-39.5170.8-66.5-175.7000111.5I345 N346 C347 H352 K353 A354 I408 M411 V412I345-L350 HydrophobicContact CG2-CD1 3.54Å; I345-L350 HydrophobicContact CG2-CG 4.37Å; N346-L350 PolarHBondContact O-N 2.85Å; N346-L350 VanDerWaalsContact O-N 3.08Å; C347-L350 PolarHBondContact O-N 2.88Å; L350-H352 VanDerWaalsContact C-N 3.29Å; L350-H352 PolarHBondContact O-N 2.9Å; L350-K353 HydrophobicContact CD2-CD 4.32Å; L350-K353 CarbonylContact O-C 3.44Å; L350-K353 WeakPolarHBondContact O-CA 3.18Å; L350-K353 WeakPolarHBondContact O-CB 3.36Å; L350-K353 PolarHBondContact O-N 2.93Å; L350-A354 PolarHBondContact O-N 3.09Å; L350-I408 HydrophobicContact CB-CG2 4.36Å; L350-M411 HydrophobicContact CB-CE 4.25Å; L350-M411 HydrophobicContact CD1-CB 4.13Å; L350-M411 HydrophobicContact CD2-CE 3.89Å; L350-V412 HydrophobicContact CD1-CG2 3.64Å
351G88.5Confident90.1Very high7 Ų752.4 Ų52.47%0.07228%0.278CS..Hα-helixtrans-54.5-47172.400000111.1C347 D348 K353 A354 Y355C347-G351 PolarHBondContact O-N 3.2Å; D348-G351 PolarHBondContact O-N 2.72Å; G351-K353 VanDerWaalsContact C-N 3.26Å; G351-K353 PolarHBondContact O-N 3.16Å; G351-A354 VanDerWaalsContact O-CB 3.31Å; G351-A354 WeakPolarHBondContact O-CB 3.48Å; G351-A354 PolarHBondContact O-N 3.44Å; G351-Y355 WeakPolarHBondContact O-CD2 3.32Å; G351-Y355 WeakPolarHBondContact O-CE2 3.45Å
352H87.4Confident90.3Very high93 Ų9350.9 Ų50.943%0.43126%0.257SS..Hα-helixtrans-57.7-35173.9-69170000114.2D348 A349 L350 A354 R383D348-H352 PolarHBondContact O-N 2.77Å; A349-H352 WeakPolarHBondContact O-CB 3.24Å; A349-H352 PolarHBondContact O-N 2.96Å; L350-H352 VanDerWaalsContact C-N 3.29Å; L350-H352 PolarHBondContact O-N 2.9Å; H352-A354 VanDerWaalsContact C-N 3.34Å; H352-R383 VanDerWaalsContact CB-NH1 3.32Å; H352-R383 PolarHBondContact CD2-NH1 3.34Å
353K89Confident90.2Very high126 Ų12654.5 Ų54.555%0.54828%0.275SS..Hα-helixtrans-76-21.7175.9-66.5175.8-177.1178.90112.8A349 L350 G351 Y355 Q356 M411A349-K353 PolarHBondContact O-N 3.25Å; L350-K353 HydrophobicContact CD2-CD 4.32Å; L350-K353 CarbonylContact O-C 3.44Å; L350-K353 WeakPolarHBondContact O-CA 3.18Å; L350-K353 WeakPolarHBondContact O-CB 3.36Å; L350-K353 PolarHBondContact O-N 2.93Å; G351-K353 VanDerWaalsContact C-N 3.26Å; G351-K353 PolarHBondContact O-N 3.16Å; K353-Y355 VanDerWaalsContact C-N 3.25Å; K353-Y355 PolarHBondContact O-N 3.36Å; K353-Q356 WeakPolarHBondContact O-CG 3.38Å; K353-Q356 PolarHBondContact O-N 3.43Å; K353-M411 HydrophobicContact CB-CE 3.65Å; K353-M411 HydrophobicContact CD-CE 4.24Å
354A88.5Confident90.1Very high4 Ų456 Ų563%0.03329%0.285CS..Hα-helixtrans-69-24.4177.400000112.6L350 G351 H352 Q356 V361 V404 R407 I408 M411L350-A354 PolarHBondContact O-N 3.09Å; G351-A354 VanDerWaalsContact O-CB 3.31Å; G351-A354 WeakPolarHBondContact O-CB 3.48Å; G351-A354 PolarHBondContact O-N 3.44Å; H352-A354 VanDerWaalsContact C-N 3.34Å; A354-Q356 VanDerWaalsContact C-N 3.26Å; A354-Q356 PolarHBondContact O-N 3.24Å; A354-V361 HydrophobicContact CB-CG1 4.45Å; A354-V361 WeakPolarHBondContact O-CG1 3.32Å; A354-V404 HydrophobicContact CB-CG1 4.37Å; A354-R407 HydrophobicContact CB-CG 4.31Å; A354-I408 HydrophobicContact CB-CG1 4.48Å; A354-M411 HydrophobicContact CB-SD 4.43Å
355Y87Confident89.9Confident40 Ų4055.1 Ų55.116%0.15728%0.279CS..THydrogen-bonded Turntrans-81.99.1178.1-62.6-89.7000114.3G351 K353 I365 I381 L386 L400 V404G351-Y355 WeakPolarHBondContact O-CD2 3.32Å; G351-Y355 WeakPolarHBondContact O-CE2 3.45Å; K353-Y355 VanDerWaalsContact C-N 3.25Å; K353-Y355 PolarHBondContact O-N 3.36Å; Y355-I365 HydrophobicContact CD1-CD1 3.52Å; Y355-I365 HydrophobicContact CE1-CD1 3.51Å; Y355-I381 HydrophobicContact CD1-CB 4.33Å; Y355-I381 HydrophobicContact CD1-CD1 3.81Å; Y355-I381 HydrophobicContact CD1-CG2 4.11Å; Y355-L386 HydrophobicContact CD1-CD2 4.49Å; Y355-L386 HydrophobicContact CE1-CD2 3.76Å; Y355-L400 HydrophobicContact CE1-CD1 4.18Å; Y355-V404 HydrophobicContact CE1-CG2 4.32Å
356Q86.4Confident89.5Confident93 Ų9357.6 Ų57.644%0.43529%0.292SS..  trans-61.6136.9-176.1-75.5-67.1-42.600111.4K353 A354 T359 Y362K353-Q356 WeakPolarHBondContact O-CG 3.38Å; K353-Q356 PolarHBondContact O-N 3.43Å; A354-Q356 VanDerWaalsContact C-N 3.26Å; A354-Q356 PolarHBondContact O-N 3.24Å; Q356-T359 HydrophobicContact CB-CG2 4.12Å; Q356-T359 WeakPolarHBondContact O-CB 3.38Å; Q356-T359 VanDerWaalsContact O-CG2 3.3Å; Q356-T359 WeakPolarHBondContact O-CG2 3.3Å; Q356-T359 PolarHBondContact O-N 3.42Å; Q356-T359 PolarHBondContact O-OG1 3Å; Q356-Y362 VanDerWaalsContact O-CB 3.3Å; Q356-Y362 WeakPolarHBondContact O-CB 3.43Å
357P84.9Confident89.1Confident29 Ų2959.5 Ų59.519%0.18831%0.31CS..THydrogen-bonded Turntrans-52.8152.7177.2-27.135.3000112.8T359 Y362 Q380P357-T359 PolarHBondContact O-N 2.98Å; P357-Y362 HydrophobicContact CB-CE2 4.31Å; P357-Y362 HydrophobicContact CG-CE2 4.33Å; P357-Q380 HydrophobicContact CG-CG 4.01Å
358Y81.8Confident88.7Confident218 Ų21861.4 Ų61.486%0.85533%0.326SS*.THydrogen-bonded Turntrans63.517.8177.3-42.3-71.8000115.1
359T87.5Confident88.5Confident50 Ų5057.5 Ų57.531%0.30730%0.304SS..SBendtrans-95.3162.2170.163.10000111.2Q356 P357 V361 Y362 N363Q356-T359 HydrophobicContact CB-CG2 4.12Å; Q356-T359 WeakPolarHBondContact O-CB 3.38Å; Q356-T359 VanDerWaalsContact O-CG2 3.3Å; Q356-T359 WeakPolarHBondContact O-CG2 3.3Å; Q356-T359 PolarHBondContact O-N 3.42Å; Q356-T359 PolarHBondContact O-OG1 3Å; P357-T359 PolarHBondContact O-N 2.98Å; T359-V361 VanDerWaalsContact C-N 3.35Å; T359-Y362 WeakPolarHBondContact O-CB 3.47Å; T359-Y362 PolarHBondContact O-N 3.43Å; T359-Y362 VanDerWaalsContact OG1-CB 3.3Å; T359-Y362 WeakPolarHBondContact OG1-CB 3.39Å; T359-Y362 PolarHBondContact OG1-N 3.07Å; T359-N363 PolarHBondContact O-N 3.22Å; T359-N363 VanDerWaalsContact O-N 3.15Å; T359-N363 PolarHBondContact O-ND2 2.92Å
360T87.9Confident87.4Confident101 Ų10163 Ų6362%0.6233%0.328SS*.Hα-helixtrans-58-48.4173.948.90000111.1Y362 N363 D364T360-Y362 VanDerWaalsContact C-N 3.31Å; T360-Y362 PolarHBondContact O-N 3.16Å; T360-N363 PolarHBondContact O-N 3.43Å; T360-N363 VanDerWaalsContact O-N 3.12Å; T360-D364 VanDerWaalsContact O-CG 3.23Å; T360-D364 PolarHBondContact O-N 3.12Å
361V91Very high86Confident6 Ų666.6 Ų66.64%0.03634%0.344CS..Hα-helixtrans-57.1-42.4176.8172.90000112.3A354 T359 D364 I365 I403 V404 R407A354-V361 HydrophobicContact CB-CG1 4.45Å; A354-V361 WeakPolarHBondContact O-CG1 3.32Å; T359-V361 VanDerWaalsContact C-N 3.35Å; V361-D364 PolarHBondContact O-N 3.31Å; V361-I365 HydrophobicContact CG1-CD1 3.75Å; V361-I365 HydrophobicContact CG1-CG1 4.43Å; V361-I365 WeakPolarHBondContact O-CD1 3.3Å; V361-I365 WeakPolarHBondContact O-CG1 3.39Å; V361-I365 PolarHBondContact O-N 3.09Å; V361-I403 HydrophobicContact CG1-CG2 4.14Å; V361-V404 HydrophobicContact CG1-CG2 4.19Å; V361-R407 HydrophobicContact CG2-CB 3.51Å; V361-R407 HydrophobicContact CG2-CG 3.64Å
362Y90.1Very high85.5Confident22 Ų2274 Ų749%0.08638%0.382CS..Hα-helixtrans-58.6-49.8175.9177.2-88.9000111.5Q356 P357 T359 T360 D364 I365 L366 G379 I381Q356-Y362 VanDerWaalsContact O-CB 3.3Å; Q356-Y362 WeakPolarHBondContact O-CB 3.43Å; P357-Y362 HydrophobicContact CB-CE2 4.31Å; P357-Y362 HydrophobicContact CG-CE2 4.33Å; T359-Y362 WeakPolarHBondContact O-CB 3.47Å; T359-Y362 PolarHBondContact O-N 3.43Å; T359-Y362 VanDerWaalsContact OG1-CB 3.3Å; T359-Y362 WeakPolarHBondContact OG1-CB 3.39Å; T359-Y362 PolarHBondContact OG1-N 3.07Å; T360-Y362 VanDerWaalsContact C-N 3.31Å; T360-Y362 PolarHBondContact O-N 3.16Å; Y362-D364 PolarHBondContact O-N 2.99Å; Y362-I365 PolarHBondContact O-N 3.35Å; Y362-L366 HydrophobicContact CD1-CD1 4.02Å; Y362-L366 HydrophobicContact CD1-CG 4.31Å; Y362-L366 HydrophobicContact CE1-CD1 3.33Å; Y362-L366 HydrophobicContact CE1-CG 3.98Å; Y362-L366 WeakPolarHBondContact O-CG 3.39Å; Y362-L366 PolarHBondContact O-N 2.99Å; Y362-G379 PolarHBondContact OH-O 3.33Å; Y362-I381 HydrophobicContact CD2-CD1 3.56Å; Y362-I381 HydrophobicContact CD2-CG1 3.83Å; Y362-I381 HydrophobicContact CE2-CD1 3.96Å; Y362-I381 HydrophobicContact CE2-CG1 3.68Å; Y362-I381 HydrophobicContact CG-CD1 4.34Å
363N88.9Confident85.4Confident82 Ų8269.5 Ų69.544%0.43936%0.361SS..Hα-helixtrans-65.5-38.6179.2-65.6-32.5000112.6T359 T360 I365 L366 S367T359-N363 PolarHBondContact O-N 3.22Å; T359-N363 VanDerWaalsContact O-N 3.15Å; T359-N363 PolarHBondContact O-ND2 2.92Å; T360-N363 PolarHBondContact O-N 3.43Å; T360-N363 VanDerWaalsContact O-N 3.12Å; N363-I365 VanDerWaalsContact C-N 3.32Å; N363-I365 PolarHBondContact O-N 3.22Å; N363-L366 PolarHBondContact O-N 3.47Å; N363-S367 WeakPolarHBondContact O-CB 3.46Å; N363-S367 PolarHBondContact O-N 2.7Å; N363-S367 PolarHBondContact O-OG 3.42Å
364D91.7Very high85.2Confident82 Ų8265.9 Ų65.944%0.43935%0.35SS..Hα-helixtrans-63.8-39.3177.2-67.6-21.1000111T360 V361 Y362 S367 A368 I403T360-D364 VanDerWaalsContact O-CG 3.23Å; T360-D364 PolarHBondContact O-N 3.12Å; V361-D364 PolarHBondContact O-N 3.31Å; Y362-D364 PolarHBondContact O-N 2.99Å; D364-S367 PolarHBondContact O-N 3.21Å; D364-A368 VanDerWaalsContact O-CB 3.28Å; D364-A368 WeakPolarHBondContact O-CB 3.48Å; D364-A368 PolarHBondContact O-N 3.42Å; D364-I403 HydrophobicContact CB-CD1 4.34Å; D364-I403 HydrophobicContact CB-CG1 4.38Å; D364-I403 HydrophobicContact CB-CG2 3.57Å
365I90.4Very high85Confident0 Ų068.2 Ų68.20%036%0.361CS..Hα-helixtrans-65.3-47.6174.4-67.3163.2000110.5Y355 V361 Y362 N363 S367 A368 F369 I373 I381 L386 L400 I403 V404Y355-I365 HydrophobicContact CD1-CD1 3.52Å; Y355-I365 HydrophobicContact CE1-CD1 3.51Å; V361-I365 HydrophobicContact CG1-CD1 3.75Å; V361-I365 HydrophobicContact CG1-CG1 4.43Å; V361-I365 WeakPolarHBondContact O-CD1 3.3Å; V361-I365 WeakPolarHBondContact O-CG1 3.39Å; V361-I365 PolarHBondContact O-N 3.09Å; Y362-I365 PolarHBondContact O-N 3.35Å; N363-I365 VanDerWaalsContact C-N 3.32Å; N363-I365 PolarHBondContact O-N 3.22Å; I365-S367 VanDerWaalsContact C-N 3.26Å; I365-S367 PolarHBondContact O-N 2.91Å; I365-A368 PolarHBondContact O-N 2.95Å; I365-A368 VanDerWaalsContact O-N 3.15Å; I365-F369 HydrophobicContact CG2-CD2 4.01Å; I365-F369 WeakPolarHBondContact O-CB 3.41Å; I365-F369 WeakPolarHBondContact O-CD2 3.39Å; I365-F369 PolarHBondContact O-N 3.02Å; I365-I373 HydrophobicContact CG2-CD1 3.61Å; I365-I381 HydrophobicContact CB-CD1 4.05Å; I365-I381 HydrophobicContact CD1-CD1 3.94Å; I365-I381 HydrophobicContact CG2-CD1 3.82Å; I365-L386 HydrophobicContact CG2-CD2 4.27Å; I365-L400 HydrophobicContact CD1-CD1 4.06Å; I365-L400 HydrophobicContact CG1-CD1 3.93Å; I365-I403 HydrophobicContact CG1-CG2 3.98Å; I365-V404 HydrophobicContact CD1-CG2 3.95Å
366L88.5Confident84.7Confident56 Ų5671.1 Ų71.129%0.29339%0.394SS..Hα-helixtrans-59.9-38.6177.6-64.2-167.5000112.3Y362 N363 A368 F369 I373 V374 I381Y362-L366 HydrophobicContact CD1-CD1 4.02Å; Y362-L366 HydrophobicContact CD1-CG 4.31Å; Y362-L366 HydrophobicContact CE1-CD1 3.33Å; Y362-L366 HydrophobicContact CE1-CG 3.98Å; Y362-L366 WeakPolarHBondContact O-CG 3.39Å; Y362-L366 PolarHBondContact O-N 2.99Å; N363-L366 PolarHBondContact O-N 3.47Å; L366-A368 VanDerWaalsContact C-N 3.31Å; L366-A368 PolarHBondContact O-N 2.8Å; L366-F369 CarbonylContact O-C 3.49Å; L366-I373 HydrophobicContact CD2-CD1 4.12Å; L366-I373 HydrophobicContact CD2-CG1 4.18Å; L366-V374 HydrophobicContact CD1-CG2 4.27Å; L366-V374 HydrophobicContact CD2-CG2 3.28Å; L366-V374 HydrophobicContact CG-CG2 4.42Å; L366-I381 HydrophobicContact CD2-CG1 4.37Å
367S87.9Confident84.6Confident91 Ų9174.2 Ų74.264%0.63641%0.413SS*.Hα-helixtrans-70-28.9178.7-52.50000112.7N363 D364 I365N363-S367 WeakPolarHBondContact O-CB 3.46Å; N363-S367 PolarHBondContact O-N 2.7Å; N363-S367 PolarHBondContact O-OG 3.42Å; D364-S367 PolarHBondContact O-N 3.21Å; I365-S367 VanDerWaalsContact C-N 3.26Å; I365-S367 PolarHBondContact O-N 2.91Å
368A88.3Confident84.6Confident43 Ų4376.8 Ų76.836%0.35543%0.429SS..Hα-helixtrans-89.3-19.5-178.300000113.5D364 I365 L366 I399 I403D364-A368 VanDerWaalsContact O-CB 3.28Å; D364-A368 WeakPolarHBondContact O-CB 3.48Å; D364-A368 PolarHBondContact O-N 3.42Å; I365-A368 PolarHBondContact O-N 2.95Å; I365-A368 VanDerWaalsContact O-N 3.15Å; L366-A368 VanDerWaalsContact C-N 3.31Å; L366-A368 PolarHBondContact O-N 2.8Å; A368-I399 HydrophobicContact CB-CG2 3.83Å; A368-I403 HydrophobicContact CB-CD1 3.75Å
369F87.6Confident84.8Confident7 Ų767.9 Ų67.93%0.03140%0.403CS..  trans-124.990.5-177.2-68.9-96.2000108.9I365 L366 E371 I373 L386 I389 V390 K396 I399 L400I365-F369 HydrophobicContact CG2-CD2 4.01Å; I365-F369 WeakPolarHBondContact O-CB 3.41Å; I365-F369 WeakPolarHBondContact O-CD2 3.39Å; I365-F369 PolarHBondContact O-N 3.02Å; L366-F369 CarbonylContact O-C 3.49Å; F369-E371 PolarHBondContact O-N 3.38Å; F369-I373 HydrophobicContact CB-CD1 3.63Å; F369-I373 HydrophobicContact CB-CG1 4.41Å; F369-I373 HydrophobicContact CG-CD1 4.31Å; F369-L386 HydrophobicContact CD1-CD1 3.67Å; F369-L386 HydrophobicContact CD2-CD1 4.29Å; F369-L386 HydrophobicContact CE1-CD1 3.63Å; F369-L386 HydrophobicContact CE2-CD1 4.29Å; F369-L386 HydrophobicContact CG-CD1 4.01Å; F369-L386 HydrophobicContact CZ-CD1 3.98Å; F369-I389 HydrophobicContact CD1-CG2 4.35Å; F369-I389 HydrophobicContact CE1-CG2 4.24Å; F369-V390 HydrophobicContact CE1-CG1 3.77Å; F369-V390 HydrophobicContact CZ-CG1 3.85Å; F369-K396 HydrophobicContact CE1-CB 3.9Å; F369-K396 HydrophobicContact CE1-CD 4.22Å; F369-K396 HydrophobicContact CE1-CG 4.28Å; F369-K396 HydrophobicContact CZ-CB 4.26Å; F369-K396 WeakPolarHBondContact CZ-O 3.35Å; F369-I399 HydrophobicContact CE2-CG2 4.43Å; F369-L400 HydrophobicContact CE2-CB 4.11Å; F369-L400 HydrophobicContact CE2-CD1 4.23Å; F369-L400 HydrophobicContact CZ-CB 3.89Å
370D68Low84.8Confident160 Ų16070 Ų7086%0.85641%0.409SS*.  trans-67.117.3178.2-61.9-47.9000114.5
371E65.8Low84.8Confident88 Ų8865.7 Ų65.741%0.41138%0.382SS..SBendtrans-103.5158.9-175.4-68.1177.5-144.100110.5F369 I373 I389 K396F369-E371 PolarHBondContact O-N 3.38Å; E371-I373 HydrophobicContact CB-CG2 4.1Å; E371-I373 PolarHBondContact O-N 2.86Å; E371-I389 HydrophobicContact CB-CD1 4.26Å; E371-I389 WeakPolarHBondContact OE2-CD1 3.11Å; E371-I389 VanDerWaalsContact OE2-CG1 3.25Å; E371-I389 WeakPolarHBondContact OE2-CG1 3.37Å; E371-K396 IonicContact OE1-NZ 3.84Å; E371-K396 PolarHBondContact OE1-NZ 3.27Å
372D77.6Confident84.7Confident162 Ų16268.1 Ų68.187%0.86640%0.395SS*.SBendtrans-66.170.9171.9-89.1-27.9000110.8
373I84Confident84.4Confident0 Ų073 Ų730%041%0.413CS..  trans-971.8176.162.3160000111.7I365 L366 F369 E371 I381 N382 L386 I389I365-I373 HydrophobicContact CG2-CD1 3.61Å; L366-I373 HydrophobicContact CD2-CD1 4.12Å; L366-I373 HydrophobicContact CD2-CG1 4.18Å; F369-I373 HydrophobicContact CB-CD1 3.63Å; F369-I373 HydrophobicContact CB-CG1 4.41Å; F369-I373 HydrophobicContact CG-CD1 4.31Å; E371-I373 HydrophobicContact CB-CG2 4.1Å; E371-I373 PolarHBondContact O-N 2.86Å; I373-I381 CarbonylContact O-C 3.55Å; I373-I381 VanDerWaalsContact O-CA 3.32Å; I373-I381 WeakPolarHBondContact O-CA 3.08Å; I373-N382 PolarHBondContact O-N 3.32Å; I373-L386 HydrophobicContact CD1-CD1 4.33Å; I373-L386 HydrophobicContact CG2-CD1 4.45Å; I373-I389 HydrophobicContact CG2-CD1 3.56Å
374V85.9Confident84.2Confident50 Ų5077 Ų7730%0.30343%0.43SS..BIsolated β-bridgetrans-101.1128.2175.4-176.20000108.7L366 A376L366-V374 HydrophobicContact CD1-CG2 4.27Å; L366-V374 HydrophobicContact CD2-CG2 3.28Å; L366-V374 HydrophobicContact CG-CG2 4.42Å; V374-A376 PolarHBondContact O-N 2.78Å
375D84.1Confident83.9Confident52 Ų5274.6 Ų74.628%0.27842%0.421SS..  trans-69.1118.3171.2-179-79.8000109.2D377 T378 G379 Q380D375-D377 PolarHBondContact O-N 3.42Å; D375-D377 PolarHBondContact OD1-N 3.34Å; D375-T378 WeakPolarHBondContact CB-OG1 3.4Å; D375-T378 VanDerWaalsContact CG-OG1 3.28Å; D375-T378 PolarHBondContact O-N 2.9Å; D375-T378 WeakPolarHBondContact OD1-CB 3.44Å; D375-T378 PolarHBondContact OD1-N 3.36Å; D375-T378 PolarHBondContact OD1-OG1 3.01Å; D375-G379 WeakPolarHBondContact O-CA 2.95Å; D375-G379 PolarHBondContact O-N 2.96Å; D375-Q380 WeakPolarHBondContact CB-O 3.46Å; D375-Q380 PolarHBondContact N-O 3.47Å
376A81.4Confident83.8Confident102 Ų10274.8 Ų74.884%0.84342%0.422SS*.THydrogen-bonded Turntrans-63.4-29-172.500000113.4V374V374-A376 PolarHBondContact O-N 2.78Å
377D83.7Confident83.6Confident157 Ų15773.6 Ų73.684%0.8442%0.424SS*.THydrogen-bonded Turntrans-83-42-177-65.2-38.6000111.7D375D375-D377 PolarHBondContact O-N 3.42Å; D375-D377 PolarHBondContact OD1-N 3.34Å
378T84.4Confident83.4Confident84 Ų8471.8 Ų71.852%0.51541%0.414SS..THydrogen-bonded Turntrans-97.4-16.7-174.863.10000114.2D375 Q380D375-T378 WeakPolarHBondContact CB-OG1 3.4Å; D375-T378 VanDerWaalsContact CG-OG1 3.28Å; D375-T378 PolarHBondContact O-N 2.9Å; D375-T378 WeakPolarHBondContact OD1-CB 3.44Å; D375-T378 PolarHBondContact OD1-N 3.36Å; D375-T378 PolarHBondContact OD1-OG1 3.01Å; T378-Q380 PolarHBondContact O-N 3.3Å; T378-Q380 PolarHBondContact OG1-N 2.95Å
379G85.1Confident83.3Confident30 Ų3070.9 Ų70.931%0.30940%0.403SS..  trans65.114-17200000113.6Y362 D375Y362-G379 PolarHBondContact OH-O 3.33Å; D375-G379 WeakPolarHBondContact O-CA 2.95Å; D375-G379 PolarHBondContact O-N 2.96Å
380Q87.9Confident83.3Confident94 Ų9471.4 Ų71.444%0.43941%0.407SS..SBendtrans-95.6155.7178.4-63.4-172.833.400111P357 D375 T378 N382P357-Q380 HydrophobicContact CG-CG 4.01Å; D375-Q380 WeakPolarHBondContact CB-O 3.46Å; D375-Q380 PolarHBondContact N-O 3.47Å; T378-Q380 PolarHBondContact O-N 3.3Å; T378-Q380 PolarHBondContact OG1-N 2.95Å; Q380-N382 PolarHBondContact O-N 2.82Å
381I88.1Confident83.9Confident11 Ų1169 Ų696%0.05639%0.389CS..BIsolated β-bridgetrans-63.6119.9171.7-70.6163.4000109.4Y355 Y362 I365 L366 I373 R383 L386Y355-I381 HydrophobicContact CD1-CB 4.33Å; Y355-I381 HydrophobicContact CD1-CD1 3.81Å; Y355-I381 HydrophobicContact CD1-CG2 4.11Å; Y362-I381 HydrophobicContact CD2-CD1 3.56Å; Y362-I381 HydrophobicContact CD2-CG1 3.83Å; Y362-I381 HydrophobicContact CE2-CD1 3.96Å; Y362-I381 HydrophobicContact CE2-CG1 3.68Å; Y362-I381 HydrophobicContact CG-CD1 4.34Å; I365-I381 HydrophobicContact CB-CD1 4.05Å; I365-I381 HydrophobicContact CD1-CD1 3.94Å; I365-I381 HydrophobicContact CG2-CD1 3.82Å; L366-I381 HydrophobicContact CD2-CG1 4.37Å; I373-I381 CarbonylContact O-C 3.55Å; I373-I381 VanDerWaalsContact O-CA 3.32Å; I373-I381 WeakPolarHBondContact O-CA 3.08Å; I381-R383 PolarHBondContact O-N 3.24Å; I381-L386 HydrophobicContact CG2-CB 4.34Å; I381-L386 HydrophobicContact CG2-CD2 3.77Å
382N88.5Confident84.7Confident57 Ų5773.6 Ų73.631%0.30541%0.407SS..  trans-67.791169.3-175.6-20.8000109.6I373 Q380 Q384 A385 L386I373-N382 PolarHBondContact O-N 3.32Å; Q380-N382 PolarHBondContact O-N 2.82Å; N382-Q384 PolarHBondContact O-N 2.89Å; N382-Q384 PolarHBondContact OD1-N 3.49Å; N382-Q384 VanDerWaalsContact OD1-N 3.11Å; N382-A385 HydrophobicContact CB-CB 4.02Å; N382-A385 PolarHBondContact O-N 2.86Å; N382-A385 PolarHBondContact OD1-N 3.46Å; N382-L386 PolarHBondContact O-N 3.38Å
383R85.6Confident85.1Confident124 Ų12468.5 Ų68.547%0.46838%0.38SS..Hα-helixtrans-62-25.1-179.3-60.4-172.9-57.7-142.51.8113.8H352 I381 G387H352-R383 VanDerWaalsContact CB-NH1 3.32Å; H352-R383 PolarHBondContact CD2-NH1 3.34Å; I381-R383 PolarHBondContact O-N 3.24Å; R383-G387 WeakPolarHBondContact O-CA 3.37Å; R383-G387 PolarHBondContact O-N 2.87Å
384Q83.2Confident85.1Confident168 Ų16871.6 Ų71.679%0.78540%0.395SS*.Hα-helixtrans-72.1-45.5175.8-69.4-173.90.300110.5N382 G387 A388N382-Q384 PolarHBondContact O-N 2.89Å; N382-Q384 PolarHBondContact OD1-N 3.49Å; N382-Q384 VanDerWaalsContact OD1-N 3.11Å; Q384-G387 PolarHBondContact O-N 3.32Å; Q384-A388 WeakPolarHBondContact O-CB 3.33Å; Q384-A388 PolarHBondContact O-N 3.23Å
385A86.4Confident85.3Confident31 Ų3174.5 Ų74.526%0.25641%0.408SS..Hα-helixtrans-61.6-52.5174.200000110.8N382 G387 A388 I389N382-A385 HydrophobicContact CB-CB 4.02Å; N382-A385 PolarHBondContact O-N 2.86Å; N382-A385 PolarHBondContact OD1-N 3.46Å; A385-G387 VanDerWaalsContact C-N 3.31Å; A385-G387 PolarHBondContact O-N 3.47Å; A385-A388 PolarHBondContact O-N 2.87Å; A385-A388 VanDerWaalsContact O-N 3.13Å; A385-I389 WeakPolarHBondContact O-CG1 3.06Å; A385-I389 PolarHBondContact O-N 3.41Å; A385-I389 VanDerWaalsContact O-N 3.1Å
386L88Confident85.7Confident4 Ų474.9 Ų74.92%0.02141%0.408CS..Hα-helixtrans-57.5-44.6176.5-177.961.2000111.7Y355 I365 F369 I373 I381 N382 A388 I389 V390 L400Y355-L386 HydrophobicContact CD1-CD2 4.49Å; Y355-L386 HydrophobicContact CE1-CD2 3.76Å; I365-L386 HydrophobicContact CG2-CD2 4.27Å; F369-L386 HydrophobicContact CD1-CD1 3.67Å; F369-L386 HydrophobicContact CD2-CD1 4.29Å; F369-L386 HydrophobicContact CE1-CD1 3.63Å; F369-L386 HydrophobicContact CE2-CD1 4.29Å; F369-L386 HydrophobicContact CG-CD1 4.01Å; F369-L386 HydrophobicContact CZ-CD1 3.98Å; I373-L386 HydrophobicContact CD1-CD1 4.33Å; I373-L386 HydrophobicContact CG2-CD1 4.45Å; I381-L386 HydrophobicContact CG2-CB 4.34Å; I381-L386 HydrophobicContact CG2-CD2 3.77Å; N382-L386 PolarHBondContact O-N 3.38Å; L386-A388 VanDerWaalsContact C-N 3.35Å; L386-A388 PolarHBondContact O-N 3.48Å; L386-I389 WeakPolarHBondContact O-CB 3.36Å; L386-I389 PolarHBondContact O-N 2.78Å; L386-V390 HydrophobicContact CD1-CG1 4.14Å; L386-V390 WeakPolarHBondContact O-CG2 3.11Å; L386-V390 PolarHBondContact O-N 3Å; L386-L400 HydrophobicContact CD2-CD1 4Å; L386-L400 HydrophobicContact CD2-CD2 4.03Å; L386-L400 HydrophobicContact CG-CD2 4.19Å
387G85.2Confident86Confident31 Ų3172.1 Ų72.132%0.3238%0.375SS..Hα-helixtrans-58-42.9176.100000112.8R383 Q384 A385 I389 F391R383-G387 WeakPolarHBondContact O-CA 3.37Å; R383-G387 PolarHBondContact O-N 2.87Å; Q384-G387 PolarHBondContact O-N 3.32Å; A385-G387 VanDerWaalsContact C-N 3.31Å; A385-G387 PolarHBondContact O-N 3.47Å; G387-I389 VanDerWaalsContact C-N 3.33Å; G387-I389 PolarHBondContact O-N 3Å; G387-F391 WeakPolarHBondContact O-CB 3.3Å; G387-F391 PolarHBondContact O-N 3.39Å
388A83.7Confident86.4Confident52 Ų5267.6 Ų67.643%0.4335%0.349SS..Hα-helixtrans-66.4-34.3177.400000112.8Q384 A385 L386 K392Q384-A388 WeakPolarHBondContact O-CB 3.33Å; Q384-A388 PolarHBondContact O-N 3.23Å; A385-A388 PolarHBondContact O-N 2.87Å; A385-A388 VanDerWaalsContact O-N 3.13Å; L386-A388 VanDerWaalsContact C-N 3.35Å; L386-A388 PolarHBondContact O-N 3.48Å; A388-K392 WeakPolarHBondContact O-CG 3.28Å; A388-K392 PolarHBondContact O-N 3.24Å
389I86.1Confident86.8Confident25 Ų2567.2 Ų67.213%0.12834%0.343CS..Hα-helixtrans-67.3-57.3175.6-63.1159.5000109.8F369 E371 I373 A385 L386 G387 F391 K392 D393 K396F369-I389 HydrophobicContact CD1-CG2 4.35Å; F369-I389 HydrophobicContact CE1-CG2 4.24Å; E371-I389 HydrophobicContact CB-CD1 4.26Å; E371-I389 WeakPolarHBondContact OE2-CD1 3.11Å; E371-I389 VanDerWaalsContact OE2-CG1 3.25Å; E371-I389 WeakPolarHBondContact OE2-CG1 3.37Å; I373-I389 HydrophobicContact CG2-CD1 3.56Å; A385-I389 WeakPolarHBondContact O-CG1 3.06Å; A385-I389 PolarHBondContact O-N 3.41Å; A385-I389 VanDerWaalsContact O-N 3.1Å; L386-I389 WeakPolarHBondContact O-CB 3.36Å; L386-I389 PolarHBondContact O-N 2.78Å; G387-I389 VanDerWaalsContact C-N 3.33Å; G387-I389 PolarHBondContact O-N 3Å; I389-F391 VanDerWaalsContact C-N 3.28Å; I389-F391 PolarHBondContact O-N 2.83Å; I389-K392 PolarHBondContact O-N 2.59Å; I389-K392 VanDerWaalsContact O-N 3.16Å; I389-D393 PolarHBondContact O-N 2.83Å; I389-K396 HydrophobicContact CG2-CD 3.39Å
390V87Confident87.1Confident18 Ų1866.2 Ų66.211%0.10933%0.331CS..Hα-helixtrans-71.2-21.6-176.4-57.90000113.5F369 L386 K392 K396 R397 L400F369-V390 HydrophobicContact CE1-CG1 3.77Å; F369-V390 HydrophobicContact CZ-CG1 3.85Å; L386-V390 HydrophobicContact CD1-CG1 4.14Å; L386-V390 WeakPolarHBondContact O-CG2 3.11Å; L386-V390 PolarHBondContact O-N 3Å; V390-K392 VanDerWaalsContact C-N 3.33Å; V390-K396 HydrophobicContact CG1-CB 4.36Å; V390-R397 HydrophobicContact CB-CB 4.02Å; V390-R397 HydrophobicContact CB-CG 4.3Å; V390-R397 WeakPolarHBondContact O-CB 3.31Å; V390-L400 HydrophobicContact CB-CD2 4.5Å; V390-L400 HydrophobicContact CG1-CB 4.22Å; V390-L400 HydrophobicContact CG1-CD2 3.83Å; V390-L400 HydrophobicContact CG2-CD2 4.21Å
391F81Confident87.4Confident109 Ų10963.2 Ų63.248%0.47832%0.318SS..Hα-helixtrans-72.9-27.7173.7-174.9-98.6000112.4G387 I389 R472 R473G387-F391 WeakPolarHBondContact O-CB 3.3Å; G387-F391 PolarHBondContact O-N 3.39Å; I389-F391 VanDerWaalsContact C-N 3.28Å; I389-F391 PolarHBondContact O-N 2.83Å; F391-R472 HydrophobicContact CZ-CB 4.35Å; F391-R473 HydrophobicContact CE2-CG 4.26Å; F391-R473 HydrophobicContact CZ-CG 4.34Å
392K82Confident87.7Confident184 Ų18471.4 Ų71.480%0.835%0.348SS*.Hα-helixtrans-91-30.8178.5-70.8177.4-177.9176.50112.9A388 I389 V390A388-K392 WeakPolarHBondContact O-CG 3.28Å; A388-K392 PolarHBondContact O-N 3.24Å; I389-K392 PolarHBondContact O-N 2.59Å; I389-K392 VanDerWaalsContact O-N 3.16Å; V390-K392 VanDerWaalsContact C-N 3.33Å
393D86.3Confident87.9Confident56 Ų5670.2 Ų70.230%0.29934%0.341SS..  trans-117.6110.3-176.1-173.7-26.7000111.1I389 N395 K396 R397I389-D393 PolarHBondContact O-N 2.83Å; D393-N395 PolarHBondContact O-N 2.76Å; D393-N395 WeakPolarHBondContact OD1-CB 3.3Å; D393-N395 PolarHBondContact OD1-N 2.84Å; D393-K396 HydrophobicContact CB-CB 3.97Å; D393-K396 HydrophobicContact CB-CD 4.04Å; D393-K396 HydrophobicContact CB-CG 4.06Å; D393-K396 PolarHBondContact O-N 3.04Å; D393-K396 PolarHBondContact OD1-N 3.46Å; D393-K396 VanDerWaalsContact OD1-N 3.13Å; D393-K396 WeakPolarHBondContact OD2-CG 3.47Å; D393-R397 PolarHBondContact O-N 2.96Å
394E84.6Confident88.3Confident65 Ų6564.5 Ų64.530%0.30432%0.32SS..Hα-helixtrans-65.6-35.9-178.1-173.156.8-135.600113.5R397 Q398 R478E394-R397 WeakPolarHBondContact O-CB 3.3Å; E394-R397 PolarHBondContact O-N 2.73Å; E394-R397 IonicContact OE1-CZ 3.31Å; E394-R397 IonicContact OE1-NE 3.98Å; E394-R397 PolarHBondContact OE1-NE 3.18Å; E394-R397 IonicContact OE1-NH2 3.06Å; E394-R397 PolarHBondContact OE1-NH2 2.96Å; E394-R397 IonicContact OE2-CZ 2.77Å; E394-R397 IonicContact OE2-NE 3.21Å; E394-R397 PolarHBondContact OE2-NE 2.8Å; E394-R397 IonicContact OE2-NH2 3.83Å; E394-R397 PolarHBondContact OE2-NH2 2.63Å; E394-Q398 WeakPolarHBondContact O-CG 3.34Å; E394-Q398 PolarHBondContact O-N 3.32Å; E394-R478 IonicContact OE1-CZ 3.18Å; E394-R478 IonicContact OE1-NE 3.47Å; E394-R478 PolarHBondContact OE1-NE 3.03Å; E394-R478 IonicContact OE1-NH2 3.27Å; E394-R478 PolarHBondContact OE1-NH2 3.4Å
395N90.1Very high88.9Confident110 Ų11058.7 Ų58.759%0.58829%0.291SS*.Hα-helixtrans-69-42.3179.1-68.6-30.4000109.7D393 R397 Q398 I399D393-N395 PolarHBondContact O-N 2.76Å; D393-N395 WeakPolarHBondContact OD1-CB 3.3Å; D393-N395 PolarHBondContact OD1-N 2.84Å; N395-R397 VanDerWaalsContact C-N 3.31Å; N395-R397 PolarHBondContact O-N 3.41Å; N395-Q398 WeakPolarHBondContact O-CB 3.17Å; N395-Q398 PolarHBondContact O-N 2.79Å; N395-I399 WeakPolarHBondContact O-CG1 3.4Å; N395-I399 PolarHBondContact O-N 2.8Å
396K90.7Very high89.3Confident61 Ų6160.5 Ų60.527%0.26530%0.3SS..Hα-helixtrans-61.8-39.5173.7-72.5-173.6-178.6179.80112F369 E371 I389 V390 D393 Q398 I399 L400F369-K396 HydrophobicContact CE1-CB 3.9Å; F369-K396 HydrophobicContact CE1-CD 4.22Å; F369-K396 HydrophobicContact CE1-CG 4.28Å; F369-K396 HydrophobicContact CZ-CB 4.26Å; F369-K396 WeakPolarHBondContact CZ-O 3.35Å; E371-K396 IonicContact OE1-NZ 3.84Å; E371-K396 PolarHBondContact OE1-NZ 3.27Å; I389-K396 HydrophobicContact CG2-CD 3.39Å; V390-K396 HydrophobicContact CG1-CB 4.36Å; D393-K396 HydrophobicContact CB-CB 3.97Å; D393-K396 HydrophobicContact CB-CD 4.04Å; D393-K396 HydrophobicContact CB-CG 4.06Å; D393-K396 PolarHBondContact O-N 3.04Å; D393-K396 PolarHBondContact OD1-N 3.46Å; D393-K396 VanDerWaalsContact OD1-N 3.13Å; D393-K396 WeakPolarHBondContact OD2-CG 3.47Å; K396-Q398 VanDerWaalsContact C-N 3.34Å; K396-Q398 PolarHBondContact O-N 2.84Å; K396-I399 PolarHBondContact O-N 2.97Å; K396-L400 PolarHBondContact O-N 3.09Å
397R89.6Confident89.6Confident44 Ų4463.7 Ų63.717%0.16631%0.312CS..Hα-helixtrans-58.7-43.7173.5-166.1167.867.3157.54.9112.6V390 D393 E394 N395 L400 N401 A476V390-R397 HydrophobicContact CB-CB 4.02Å; V390-R397 HydrophobicContact CB-CG 4.3Å; V390-R397 WeakPolarHBondContact O-CB 3.31Å; D393-R397 PolarHBondContact O-N 2.96Å; E394-R397 WeakPolarHBondContact O-CB 3.3Å; E394-R397 PolarHBondContact O-N 2.73Å; E394-R397 IonicContact OE1-CZ 3.31Å; E394-R397 IonicContact OE1-NE 3.98Å; E394-R397 PolarHBondContact OE1-NE 3.18Å; E394-R397 IonicContact OE1-NH2 3.06Å; E394-R397 PolarHBondContact OE1-NH2 2.96Å; E394-R397 IonicContact OE2-CZ 2.77Å; E394-R397 IonicContact OE2-NE 3.21Å; E394-R397 PolarHBondContact OE2-NE 2.8Å; E394-R397 IonicContact OE2-NH2 3.83Å; E394-R397 PolarHBondContact OE2-NH2 2.63Å; N395-R397 VanDerWaalsContact C-N 3.31Å; N395-R397 PolarHBondContact O-N 3.41Å; R397-L400 PolarHBondContact O-N 3.3Å; R397-N401 WeakPolarHBondContact O-CB 2.96Å; R397-N401 VanDerWaalsContact O-CG 3.24Å; R397-N401 PolarHBondContact O-N 3.03Å; R397-A476 PolarHBondContact NH1-O 3Å; R397-A476 PolarHBondContact NH2-O 2.94Å
398Q90.1Very high90.1Very high62 Ų6262.7 Ų62.729%0.2930%0.299SS..Hα-helixtrans-64-41.9176.2-70.5-177.17.200112.6E394 N395 K396 L400 N401 R402 R478E394-Q398 WeakPolarHBondContact O-CG 3.34Å; E394-Q398 PolarHBondContact O-N 3.32Å; N395-Q398 WeakPolarHBondContact O-CB 3.17Å; N395-Q398 PolarHBondContact O-N 2.79Å; K396-Q398 VanDerWaalsContact C-N 3.34Å; K396-Q398 PolarHBondContact O-N 2.84Å; Q398-L400 VanDerWaalsContact C-N 3.35Å; Q398-N401 PolarHBondContact O-N 2.83Å; Q398-R402 WeakPolarHBondContact O-CG 3.1Å; Q398-R402 PolarHBondContact O-N 3.17Å; Q398-R478 VanDerWaalsContact NE2-CZ 3.34Å
399I93.3Very high90.7Very high75 Ų7561.1 Ų61.139%0.38529%0.286SS..Hα-helixtrans-59.9-48.5176.8-67.2165.5000109.7A368 F369 N395 K396 N401 R402 I403A368-I399 HydrophobicContact CB-CG2 3.83Å; F369-I399 HydrophobicContact CE2-CG2 4.43Å; N395-I399 WeakPolarHBondContact O-CG1 3.4Å; N395-I399 PolarHBondContact O-N 2.8Å; K396-I399 PolarHBondContact O-N 2.97Å; I399-N401 PolarHBondContact O-N 3.01Å; I399-R402 PolarHBondContact O-N 3.12Å; I399-I403 HydrophobicContact CG2-CD1 4.04Å; I399-I403 WeakPolarHBondContact O-CG1 3.41Å; I399-I403 PolarHBondContact O-N 3.47Å
400L92.8Very high91.2Very high10 Ų1064.7 Ų64.75%0.05230%0.302CS..Hα-helixtrans-57.8-48176.5-177.162.7000111.8Y355 I365 F369 L386 V390 K396 R397 Q398 R402 I403 V404Y355-L400 HydrophobicContact CE1-CD1 4.18Å; I365-L400 HydrophobicContact CD1-CD1 4.06Å; I365-L400 HydrophobicContact CG1-CD1 3.93Å; F369-L400 HydrophobicContact CE2-CB 4.11Å; F369-L400 HydrophobicContact CE2-CD1 4.23Å; F369-L400 HydrophobicContact CZ-CB 3.89Å; L386-L400 HydrophobicContact CD2-CD1 4Å; L386-L400 HydrophobicContact CD2-CD2 4.03Å; L386-L400 HydrophobicContact CG-CD2 4.19Å; V390-L400 HydrophobicContact CB-CD2 4.5Å; V390-L400 HydrophobicContact CG1-CB 4.22Å; V390-L400 HydrophobicContact CG1-CD2 3.83Å; V390-L400 HydrophobicContact CG2-CD2 4.21Å; K396-L400 PolarHBondContact O-N 3.09Å; R397-L400 PolarHBondContact O-N 3.3Å; Q398-L400 VanDerWaalsContact C-N 3.35Å; L400-R402 VanDerWaalsContact C-N 3.32Å; L400-R402 PolarHBondContact O-N 3.41Å; L400-I403 PolarHBondContact O-N 3.41Å; L400-V404 HydrophobicContact CD1-CG2 3.71Å; L400-V404 HydrophobicContact CG-CG2 4.2Å; L400-V404 WeakPolarHBondContact O-CB 3.45Å; L400-V404 WeakPolarHBondContact O-CG2 3.49Å; L400-V404 PolarHBondContact O-N 3.43Å
401N93.3Very high91.6Very high31 Ų3165 Ų6517%0.16630%0.303CS..Hα-helixtrans-60.5-40.5179.7-74-9.5000112R397 Q398 I399 I403 V404 W405R397-N401 WeakPolarHBondContact O-CB 2.96Å; R397-N401 VanDerWaalsContact O-CG 3.24Å; R397-N401 PolarHBondContact O-N 3.03Å; Q398-N401 PolarHBondContact O-N 2.83Å; I399-N401 PolarHBondContact O-N 3.01Å; N401-I403 VanDerWaalsContact C-N 3.28Å; N401-I403 PolarHBondContact O-N 2.92Å; N401-V404 PolarHBondContact O-N 3.02Å; N401-W405 HydrophobicContact CB-CD2 3.77Å; N401-W405 HydrophobicContact CB-CE3 4.01Å; N401-W405 HydrophobicContact CB-CG 4.38Å; N401-W405 HydrophobicContact CB-CH2 4Å; N401-W405 HydrophobicContact CB-CZ2 3.77Å; N401-W405 HydrophobicContact CB-CZ3 4.12Å; N401-W405 WeakPolarHBondContact ND2-CZ2 3.2Å; N401-W405 WeakPolarHBondContact O-CB 3.22Å; N401-W405 VanDerWaalsContact O-CG 3.25Å; N401-W405 PolarHBondContact O-N 3.21Å
402R94.1Very high92.4Very high182 Ų18259.8 Ų59.869%0.68728%0.28SS*.Hα-helixtrans-63.8-32177.1-75.5175.7-178.2179.43113.3Q398 I399 L400 P406Q398-R402 WeakPolarHBondContact O-CG 3.1Å; Q398-R402 PolarHBondContact O-N 3.17Å; I399-R402 PolarHBondContact O-N 3.12Å; L400-R402 VanDerWaalsContact C-N 3.32Å; L400-R402 PolarHBondContact O-N 3.41Å; R402-P406 WeakPolarHBondContact O-CD 3.31Å; R402-P406 WeakPolarHBondContact O-CG 3.32Å
403I93.5Very high93Very high32 Ų3253.6 Ų53.616%0.16426%0.257CS..Hα-helixtrans-78.1-46.2176.7-63.1164.7000110.3V361 D364 I365 A368 I399 L400 N401V361-I403 HydrophobicContact CG1-CG2 4.14Å; D364-I403 HydrophobicContact CB-CD1 4.34Å; D364-I403 HydrophobicContact CB-CG1 4.38Å; D364-I403 HydrophobicContact CB-CG2 3.57Å; I365-I403 HydrophobicContact CG1-CG2 3.98Å; A368-I403 HydrophobicContact CB-CD1 3.75Å; I399-I403 HydrophobicContact CG2-CD1 4.04Å; I399-I403 WeakPolarHBondContact O-CG1 3.41Å; I399-I403 PolarHBondContact O-N 3.47Å; L400-I403 PolarHBondContact O-N 3.41Å; N401-I403 VanDerWaalsContact C-N 3.28Å; N401-I403 PolarHBondContact O-N 2.92Å
404V93.8Very high93.5Very high4 Ų455.1 Ų55.12%0.02426%0.263CS..Hα-helixtrans-85-39.8-167.91760000113A354 Y355 V361 I365 L400 N401 R407 I408A354-V404 HydrophobicContact CB-CG1 4.37Å; Y355-V404 HydrophobicContact CE1-CG2 4.32Å; V361-V404 HydrophobicContact CG1-CG2 4.19Å; I365-V404 HydrophobicContact CD1-CG2 3.95Å; L400-V404 HydrophobicContact CD1-CG2 3.71Å; L400-V404 HydrophobicContact CG-CG2 4.2Å; L400-V404 WeakPolarHBondContact O-CB 3.45Å; L400-V404 WeakPolarHBondContact O-CG2 3.49Å; L400-V404 PolarHBondContact O-N 3.43Å; N401-V404 PolarHBondContact O-N 3.02Å; V404-R407 PolarHBondContact O-N 3.43Å; V404-I408 HydrophobicContact CG1-CD1 3.57Å; V404-I408 HydrophobicContact CG1-CG1 3.98Å; V404-I408 WeakPolarHBondContact O-CG1 3.49Å; V404-I408 PolarHBondContact O-N 2.7Å
405W94.9Very high94Very high46 Ų4653.3 Ų53.317%0.17425%0.254CS..Hα-helixtrans-62.4-42.5-173.5-71.2-11000114.8N401 R407 I408 A409 V432 E435 A436 W438N401-W405 HydrophobicContact CB-CD2 3.77Å; N401-W405 HydrophobicContact CB-CE3 4.01Å; N401-W405 HydrophobicContact CB-CG 4.38Å; N401-W405 HydrophobicContact CB-CH2 4Å; N401-W405 HydrophobicContact CB-CZ2 3.77Å; N401-W405 HydrophobicContact CB-CZ3 4.12Å; N401-W405 WeakPolarHBondContact ND2-CZ2 3.2Å; N401-W405 WeakPolarHBondContact O-CB 3.22Å; N401-W405 VanDerWaalsContact O-CG 3.25Å; N401-W405 PolarHBondContact O-N 3.21Å; W405-R407 VanDerWaalsContact C-N 3.28Å; W405-R407 PolarHBondContact O-N 3Å; W405-I408 PolarHBondContact O-N 2.7Å; W405-A409 PolarHBondContact O-N 3.23Å; W405-V432 HydrophobicContact CZ2-CB 4.12Å; W405-V432 HydrophobicContact CZ2-CG1 4.24Å; W405-V432 HydrophobicContact CZ2-CG2 4.4Å; W405-E435 HydrophobicContact CH2-CB 4.33Å; W405-E435 HydrophobicContact CH2-CG 3.81Å; W405-A436 HydrophobicContact CD2-CB 3.59Å; W405-A436 HydrophobicContact CE3-CB 3.57Å; W405-A436 HydrophobicContact CG-CB 4.06Å; W405-A436 HydrophobicContact CH2-CB 4.31Å; W405-A436 HydrophobicContact CZ2-CB 4.32Å; W405-A436 HydrophobicContact CZ3-CB 3.95Å; W405-W438 HydrophobicContact CB-CZ2 3.81Å; W405-W438 AromaticContact CD1-CZ2 3.85Å; W405-W438 AromaticContact CG-CZ2 3.87Å; W405-W438 HydrophobicContact CG-CZ2 3.87Å
406P95.1Very high94.1Very high69 Ų6949.1 Ų49.145%0.44823%0.232SC..Hα-helixtrans-56.9-43.4175.5-26.336.2000112.1R402 I408 A409 E410R402-P406 WeakPolarHBondContact O-CD 3.31Å; R402-P406 WeakPolarHBondContact O-CG 3.32Å; P406-I408 PolarHBondContact O-N 2.94Å; P406-A409 WeakPolarHBondContact O-CB 3.43Å; P406-A409 PolarHBondContact O-N 2.77Å; P406-E410 WeakPolarHBondContact O-CG 3.33Å; P406-E410 PolarHBondContact O-N 2.84Å
407R94.9Very high94.2Very high71 Ų7154.5 Ų54.527%0.26825%0.25SS..Hα-helixtrans-66.3-40178.4-177.462.4-169.7137.65.9112.6A354 V361 V404 W405 A409 E410 M411 E414A354-R407 HydrophobicContact CB-CG 4.31Å; V361-R407 HydrophobicContact CG2-CB 3.51Å; V361-R407 HydrophobicContact CG2-CG 3.64Å; V404-R407 PolarHBondContact O-N 3.43Å; W405-R407 VanDerWaalsContact C-N 3.28Å; W405-R407 PolarHBondContact O-N 3Å; R407-A409 VanDerWaalsContact C-N 3.32Å; R407-A409 PolarHBondContact O-N 2.88Å; R407-E410 WeakPolarHBondContact CD-OE2 3.37Å; R407-E410 IonicContact CZ-OE2 2.87Å; R407-E410 IonicContact NH1-OE2 3.99Å; R407-E410 PolarHBondContact NH1-OE2 3.08Å; R407-E410 PolarHBondContact O-N 2.84Å; R407-M411 HydrophobicContact CG-SD 4.2Å; R407-M411 VanDerWaalsContact O-CG 3.27Å; R407-M411 WeakPolarHBondContact O-CG 3.36Å; R407-M411 PolarHBondContact O-N 3.09Å; R407-E414 IonicContact NH1-OE1 2.75Å; R407-E414 PolarHBondContact NH1-OE1 3.39Å; R407-E414 IonicContact NH2-OE1 3.35Å; R407-E414 IonicContact NH2-OE2 3.04Å
408I95.6Very high94.2Very high10 Ų1060.8 Ų60.85%0.05127%0.274CS..Hα-helixtrans-61.6-43.8174.9-64.9173.5000110.2C347 L350 A354 V404 W405 P406 E410 M411 V412 W438C347-I408 HydrophobicContact CB-CG2 4.19Å; L350-I408 HydrophobicContact CB-CG2 4.36Å; A354-I408 HydrophobicContact CB-CG1 4.48Å; V404-I408 HydrophobicContact CG1-CD1 3.57Å; V404-I408 HydrophobicContact CG1-CG1 3.98Å; V404-I408 WeakPolarHBondContact O-CG1 3.49Å; V404-I408 PolarHBondContact O-N 2.7Å; W405-I408 PolarHBondContact O-N 2.7Å; P406-I408 PolarHBondContact O-N 2.94Å; I408-E410 VanDerWaalsContact C-N 3.34Å; I408-E410 PolarHBondContact O-N 2.67Å; I408-M411 PolarHBondContact O-N 3.12Å; I408-V412 HydrophobicContact CG2-CG2 4.24Å; I408-V412 VanDerWaalsContact O-CG2 3.32Å; I408-V412 WeakPolarHBondContact O-CG2 2.75Å; I408-V412 PolarHBondContact O-N 3.31Å; I408-W438 HydrophobicContact CB-CH2 3.89Å; I408-W438 HydrophobicContact CB-CZ2 3.91Å; I408-W438 HydrophobicContact CD1-CH2 4.11Å; I408-W438 HydrophobicContact CG2-CH2 3.46Å; I408-W438 VanDerWaalsContact CG2-CH2 3.46Å; I408-W438 HydrophobicContact CG2-CZ2 3.9Å; I408-W438 HydrophobicContact CG2-CZ3 4.04Å
409A96.8Very high94.2Very high19 Ų1958.5 Ų58.516%0.15726%0.264CS..Hα-helixtrans-58.8-44.5177.700000112W405 P406 R407 M411 V412 V413 L441W405-A409 PolarHBondContact O-N 3.23Å; P406-A409 WeakPolarHBondContact O-CB 3.43Å; P406-A409 PolarHBondContact O-N 2.77Å; R407-A409 VanDerWaalsContact C-N 3.32Å; R407-A409 PolarHBondContact O-N 2.88Å; A409-M411 PolarHBondContact O-N 3.4Å; A409-V412 PolarHBondContact O-N 2.7Å; A409-V413 WeakPolarHBondContact O-CG2 3.43Å; A409-V413 PolarHBondContact O-N 3.06Å; A409-L441 HydrophobicContact CB-CD1 4.03Å
410E95.9Very high93.3Very high101 Ų10155.7 Ų55.747%0.47225%0.254SS..Hα-helixtrans-58.1-47.6173.4-70.1170.9-177.900112P406 R407 I408 V412 V413 E414P406-E410 WeakPolarHBondContact O-CG 3.33Å; P406-E410 PolarHBondContact O-N 2.84Å; R407-E410 WeakPolarHBondContact CD-OE2 3.37Å; R407-E410 IonicContact CZ-OE2 2.87Å; R407-E410 IonicContact NH1-OE2 3.99Å; R407-E410 PolarHBondContact NH1-OE2 3.08Å; R407-E410 PolarHBondContact O-N 2.84Å; I408-E410 VanDerWaalsContact C-N 3.34Å; I408-E410 PolarHBondContact O-N 2.67Å; E410-V412 VanDerWaalsContact C-N 3.29Å; E410-V412 PolarHBondContact O-N 3.05Å; E410-V413 PolarHBondContact O-N 3.45Å; E410-V413 VanDerWaalsContact O-N 3.15Å; E410-E414 WeakPolarHBondContact O-CB 3.29Å; E410-E414 VanDerWaalsContact O-CG 3.31Å; E410-E414 WeakPolarHBondContact O-CG 3.48Å; E410-E414 PolarHBondContact O-N 2.87Å
411M96Very high92.3Very high24 Ų2462.7 Ų62.712%0.11829%0.286CS..Hα-helixtrans-62.3-36.5178.6-68.5173.671.700112.1L350 K353 A354 R407 I408 A409 E415L350-M411 HydrophobicContact CB-CE 4.25Å; L350-M411 HydrophobicContact CD1-CB 4.13Å; L350-M411 HydrophobicContact CD2-CE 3.89Å; K353-M411 HydrophobicContact CB-CE 3.65Å; K353-M411 HydrophobicContact CD-CE 4.24Å; A354-M411 HydrophobicContact CB-SD 4.43Å; R407-M411 HydrophobicContact CG-SD 4.2Å; R407-M411 VanDerWaalsContact O-CG 3.27Å; R407-M411 WeakPolarHBondContact O-CG 3.36Å; R407-M411 PolarHBondContact O-N 3.09Å; I408-M411 PolarHBondContact O-N 3.12Å; A409-M411 PolarHBondContact O-N 3.4Å; M411-E415 VanDerWaalsContact O-CB 3.25Å; M411-E415 WeakPolarHBondContact O-CB 3.39Å; M411-E415 PolarHBondContact O-N 3.21Å
412V96.8Very high91.6Very high0 Ų068.4 Ų68.40%032%0.317CS..Hα-helixtrans-63.7-46.8173.61700000110.3I345 C347 L350 I408 A409 E410 E415 I416 V428 L441I345-V412 HydrophobicContact CG2-CG2 4.2Å; C347-V412 VanDerWaalsContact SG-CG2 3.55Å; L350-V412 HydrophobicContact CD1-CG2 3.64Å; I408-V412 HydrophobicContact CG2-CG2 4.24Å; I408-V412 VanDerWaalsContact O-CG2 3.32Å; I408-V412 WeakPolarHBondContact O-CG2 2.75Å; I408-V412 PolarHBondContact O-N 3.31Å; A409-V412 PolarHBondContact O-N 2.7Å; E410-V412 VanDerWaalsContact C-N 3.29Å; E410-V412 PolarHBondContact O-N 3.05Å; V412-E415 PolarHBondContact O-N 3.29Å; V412-I416 HydrophobicContact CG1-CD1 3.66Å; V412-I416 HydrophobicContact CG1-CG1 4.37Å; V412-I416 WeakPolarHBondContact O-CB 3.37Å; V412-I416 VanDerWaalsContact O-CG1 3.23Å; V412-I416 WeakPolarHBondContact O-CG1 3.39Å; V412-I416 PolarHBondContact O-N 2.91Å; V412-V428 HydrophobicContact CG1-CG1 4Å; V412-V428 HydrophobicContact CG1-CG2 3.92Å; V412-V428 HydrophobicContact CG2-CG1 4.42Å; V412-L441 HydrophobicContact CG1-CD1 4.38Å
413V95.9Very high90.9Very high54 Ų5461.5 Ų61.533%0.32729%0.293SS..Hα-helixtrans-63.6-42.4178171.80000111.7A409 E410 E415 I416 R417 L441A409-V413 WeakPolarHBondContact O-CG2 3.43Å; A409-V413 PolarHBondContact O-N 3.06Å; E410-V413 PolarHBondContact O-N 3.45Å; E410-V413 VanDerWaalsContact O-N 3.15Å; V413-E415 VanDerWaalsContact C-N 3.34Å; V413-I416 PolarHBondContact O-N 2.84Å; V413-R417 WeakPolarHBondContact O-CB 3.31Å; V413-R417 PolarHBondContact O-N 3.36Å; V413-L441 HydrophobicContact CG2-CD2 3.94Å
414E95.3Very high90.4Very high88 Ų8863.3 Ų63.341%0.41130%0.298SS..Hα-helixtrans-59.1-45.7174.2-73.3168.5-163.300111.2R407 E410 R417 R418R407-E414 IonicContact NH1-OE1 2.75Å; R407-E414 PolarHBondContact NH1-OE1 3.39Å; R407-E414 IonicContact NH2-OE1 3.35Å; R407-E414 IonicContact NH2-OE2 3.04Å; E410-E414 WeakPolarHBondContact O-CB 3.29Å; E410-E414 VanDerWaalsContact O-CG 3.31Å; E410-E414 WeakPolarHBondContact O-CG 3.48Å; E410-E414 PolarHBondContact O-N 2.87Å; E414-R417 PolarHBondContact O-N 3.41Å; E414-R418 WeakPolarHBondContact O-CB 3.4Å; E414-R418 PolarHBondContact O-N 2.99Å
415E94.7Very high90.1Very high27 Ų2763.2 Ų63.213%0.12630%0.298CS..Hα-helixtrans-65.2-45.5178.8-177.765.3-15200111.7H343 I345 M411 V412 V413 R417 R418 V419H343-E415 IonicContact CD2-OE1 3.98Å; H343-E415 IonicContact CE1-OE1 3.54Å; H343-E415 IonicContact NE2-OE1 3.81Å; H343-E415 PolarHBondContact NE2-OE1 2.88Å; I345-E415 HydrophobicContact CD1-CB 3.88Å; I345-E415 HydrophobicContact CD1-CG 3.49Å; I345-E415 VanDerWaalsContact CD1-CG 3.49Å; I345-E415 HydrophobicContact CG1-CB 4.47Å; I345-E415 HydrophobicContact CG1-CG 3.62Å; I345-E415 HydrophobicContact CG2-CG 4.2Å; M411-E415 VanDerWaalsContact O-CB 3.25Å; M411-E415 WeakPolarHBondContact O-CB 3.39Å; M411-E415 PolarHBondContact O-N 3.21Å; V412-E415 PolarHBondContact O-N 3.29Å; V413-E415 VanDerWaalsContact C-N 3.34Å; E415-R417 VanDerWaalsContact C-N 3.31Å; E415-R417 PolarHBondContact O-N 3.46Å; E415-R418 PolarHBondContact O-N 3.03Å; E415-R418 IonicContact OE1-CZ 3.43Å; E415-R418 IonicContact OE1-NE 3.65Å; E415-R418 IonicContact OE1-NH2 2.62Å; E415-R418 PolarHBondContact OE1-NH2 3.42Å; E415-R418 IonicContact OE2-CZ 2.97Å; E415-R418 IonicContact OE2-NE 3.46Å; E415-R418 PolarHBondContact OE2-NE 3.21Å; E415-R418 IonicContact OE2-NH1 3.51Å; E415-R418 IonicContact OE2-NH2 2.66Å; E415-R418 PolarHBondContact OE2-NH2 2.93Å; E415-V419 WeakPolarHBondContact O-CG2 3.46Å; E415-V419 PolarHBondContact O-N 3.36Å
416I93.4Very high90Very high22 Ų2261 Ų6111%0.11329%0.29CS..Hα-helixtrans-56.4-46.4174.3-70.4163.7000110.3P317 I319 I345 V412 V413 V419 G420 V426 V428P317-I416 HydrophobicContact CG-CG2 4.18Å; I319-I416 HydrophobicContact CD1-CD1 4.16Å; I319-I416 HydrophobicContact CD1-CG2 3.83Å; I319-I416 HydrophobicContact CG1-CG2 4.38Å; I319-I416 HydrophobicContact CG2-CD1 4.23Å; I345-I416 HydrophobicContact CD1-CD1 4.49Å; I345-I416 HydrophobicContact CD1-CG1 3.6Å; V412-I416 HydrophobicContact CG1-CD1 3.66Å; V412-I416 HydrophobicContact CG1-CG1 4.37Å; V412-I416 WeakPolarHBondContact O-CB 3.37Å; V412-I416 VanDerWaalsContact O-CG1 3.23Å; V412-I416 WeakPolarHBondContact O-CG1 3.39Å; V412-I416 PolarHBondContact O-N 2.91Å; V413-I416 PolarHBondContact O-N 2.84Å; I416-V419 WeakPolarHBondContact O-CG2 3.37Å; I416-G420 PolarHBondContact O-N 3.44Å; I416-V426 HydrophobicContact CG1-CG1 4.11Å; I416-V428 HydrophobicContact CD1-CG2 4.29Å
417R91.6Very high90.1Very high174 Ų17457.8 Ų57.866%0.65727%0.268SS*.Hα-helixtrans-63.9-42.1178.1-171-171.6-62118.5-0111.7V413 E414 E415 G420V413-R417 WeakPolarHBondContact O-CB 3.31Å; V413-R417 PolarHBondContact O-N 3.36Å; E414-R417 PolarHBondContact O-N 3.41Å; E415-R417 VanDerWaalsContact C-N 3.31Å; E415-R417 PolarHBondContact O-N 3.46Å; R417-G420 PolarHBondContact O-N 3.24Å
418R91.5Very high90.2Very high176 Ų17654.4 Ų54.466%0.66426%0.256SS*.Hα-helixtrans-63.1-45.4-179.6-175.4-174.674.1179.92.7111.8E414 E415 G420E414-R418 WeakPolarHBondContact O-CB 3.4Å; E414-R418 PolarHBondContact O-N 2.99Å; E415-R418 PolarHBondContact O-N 3.03Å; E415-R418 IonicContact OE1-CZ 3.43Å; E415-R418 IonicContact OE1-NE 3.65Å; E415-R418 IonicContact OE1-NH2 2.62Å; E415-R418 PolarHBondContact OE1-NH2 3.42Å; E415-R418 IonicContact OE2-CZ 2.97Å; E415-R418 IonicContact OE2-NE 3.46Å; E415-R418 PolarHBondContact OE2-NE 3.21Å; E415-R418 IonicContact OE2-NH1 3.51Å; E415-R418 IonicContact OE2-NH2 2.66Å; E415-R418 PolarHBondContact OE2-NH2 2.93Å; R418-G420 VanDerWaalsContact C-N 3.35Å
419V88.2Confident90.3Very high13 Ų1354.3 Ų54.38%0.07926%0.255CS..Hα-helixtrans-75.1-29.2179.2-620000112.5H343 E415 I416 N422 V426H343-V419 WeakPolarHBondContact NE2-CG1 3.32Å; E415-V419 WeakPolarHBondContact O-CG2 3.46Å; E415-V419 PolarHBondContact O-N 3.36Å; I416-V419 WeakPolarHBondContact O-CG2 3.37Å; V419-N422 WeakPolarHBondContact O-CB 3.44Å; V419-N422 PolarHBondContact O-N 3.48Å; V419-V426 HydrophobicContact CG2-CG2 3.7Å
420G74.6Confident90.2Very high17 Ų1753.4 Ų53.418%0.17525%0.248CC..G310 helixtrans51.2-148.5164.400000114.6I416 R417 R418 N422 N423I416-G420 PolarHBondContact O-N 3.44Å; R417-G420 PolarHBondContact O-N 3.24Å; R418-G420 VanDerWaalsContact C-N 3.35Å; G420-N422 PolarHBondContact O-N 3.48Å; G420-N423 PolarHBondContact O-N 3.38Å
421Q73.3Confident90Very high157 Ų15750.5 Ų50.573%0.73424%0.241SC*.G310 helixtrans-67.7-12.7-177.9-66.3179.7-10.600114.1N423Q421-N423 PolarHBondContact O-N 2.79Å
422N77.5Confident89.9Confident151 Ų15151.2 Ų51.281%0.80725%0.247SC*.G310 helixtrans-66.9-21.3178-64.9-26.3000112.2V419 G420V419-N422 WeakPolarHBondContact O-CB 3.44Å; V419-N422 PolarHBondContact O-N 3.48Å; G420-N422 PolarHBondContact O-N 3.48Å
423N79.7Confident89.8Confident36 Ų3651.2 Ų51.219%0.19325%0.247CC..  trans-111.7131.4175.6-70.5-85.8000109.5P317 H343 G420 Q421 V426P317-N423 WeakPolarHBondContact CA-O 3.43Å; P317-N423 WeakPolarHBondContact CB-O 3.5Å; H343-N423 HydrophobicContact CB-CB 4.29Å; G420-N423 PolarHBondContact O-N 3.38Å; Q421-N423 PolarHBondContact O-N 2.79Å; N423-V426 HydrophobicContact CB-CG2 4.28Å
424R82.2Confident89.7Confident70 Ų7049.2 Ų49.226%0.26423%0.234SC..SBendtrans-76.3-36174.9-66.7-172.564.4171.3-9.1111.7Y318 I514 D516Y318-R424 PolarHBondContact N-O 3.23Å; R424-I514 PolarHBondContact NH2-O 2.94Å; R424-D516 VanDerWaalsContact CZ-O 3.24Å; R424-D516 PolarHBondContact NH1-O 2.93Å; R424-D516 PolarHBondContact NH2-O 3.02Å
425I88.5Confident89.5Confident3 Ų347.5 Ų47.52%0.01523%0.226CC..EExtended strand (participates in β ladder)trans-130.9130.4-176.8-67.1165.6000109.1Y318 I320 A342 H343 V427 I514 F515Y318-I425 VanDerWaalsContact O-CA 3.31Å; Y318-I425 WeakPolarHBondContact O-CA 3.49Å; I320-I425 HydrophobicContact CD1-CG2 3.71Å; I320-I425 HydrophobicContact CG1-CG2 4.43Å; A342-I425 HydrophobicContact CB-CB 4.39Å; A342-I425 HydrophobicContact CB-CG2 4.07Å; H343-I425 PolarHBondContact N-O 3.48Å; I425-V427 HydrophobicContact CG2-CG2 4.12Å; I425-I514 HydrophobicContact CD1-CB 4.19Å; I425-I514 HydrophobicContact CD1-CG2 3.68Å; I425-I514 HydrophobicContact CG1-CG2 4.01Å; I425-F515 HydrophobicContact CB-CE1 4.3Å; I425-F515 HydrophobicContact CD1-CD1 3.35Å; I425-F515 HydrophobicContact CD1-CD2 3.75Å; I425-F515 HydrophobicContact CD1-CE1 3.17Å; I425-F515 HydrophobicContact CD1-CE2 3.58Å; I425-F515 HydrophobicContact CD1-CG 3.63Å; I425-F515 HydrophobicContact CD1-CZ 3.28Å; I425-F515 HydrophobicContact CG1-CE1 4.31Å; I425-F515 HydrophobicContact CG1-CZ 4.49Å; I425-F515 HydrophobicContact CG2-CE1 4.35Å; I425-F515 HydrophobicContact CG2-CZ 4.29Å
426V93.7Very high89.5Confident0 Ų047.1 Ų47.10%023%0.228CC..EExtended strand (participates in β ladder)trans-117.9129.9172.5174.70000107.9P317 Y318 I319 I320 H343 I345 I416 V419 N423P317-V426 HydrophobicContact CB-CB 4.24Å; P317-V426 HydrophobicContact CB-CG2 3.53Å; P317-V426 HydrophobicContact CG-CG2 3.89Å; Y318-V426 PolarHBondContact O-N 2.9Å; I319-V426 CarbonylContact C-O 3.6Å; I319-V426 WeakPolarHBondContact CA-O 3.42Å; I320-V426 PolarHBondContact N-O 3.43Å; H343-V426 HydrophobicContact CB-CG2 4.34Å; H343-V426 CarbonylContact O-C 3.55Å; H343-V426 VanDerWaalsContact O-CA 3.3Å; H343-V426 WeakPolarHBondContact O-CA 3.28Å; I345-V426 HydrophobicContact CD1-CG1 3.51Å; I345-V426 HydrophobicContact CG1-CG1 3.91Å; I416-V426 HydrophobicContact CG1-CG1 4.11Å; V419-V426 HydrophobicContact CG2-CG2 3.7Å; N423-V426 HydrophobicContact CB-CG2 4.28Å
427V95.2Very high89.4Confident0 Ų047.9 Ų47.90%024%0.241CC..EExtended strand (participates in β ladder)trans-111.2117.3179.7-176.70000108.8I320 L322 L337 A342 H343 V344 I345 I425I320-V427 CarbonylContact O-C 3.55Å; I320-V427 VanDerWaalsContact O-CA 3.27Å; I320-V427 WeakPolarHBondContact O-CA 3.19Å; L322-V427 HydrophobicContact CB-CG1 3.8Å; L337-V427 HydrophobicContact CB-CG2 4.43Å; L337-V427 HydrophobicContact CD1-CG1 4.21Å; L337-V427 HydrophobicContact CD1-CG2 3.84Å; A342-V427 HydrophobicContact CB-CG2 4.02Å; H343-V427 PolarHBondContact O-N 3.44Å; V344-V427 CarbonylContact C-O 3.52Å; V344-V427 WeakPolarHBondContact CA-O 3.24Å; V344-V427 HydrophobicContact CG2-CB 4.12Å; I345-V427 PolarHBondContact N-O 3.31Å; I425-V427 HydrophobicContact CG2-CG2 4.12Å
428V97.4Very high89.6Confident1 Ų140.2 Ų40.21%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-92.4100.4174.8-177.70000108.2I319 I320 G321 L322 I345 C347 V412 I416 L433 V442I319-V428 HydrophobicContact CG2-CG2 3.92Å; I320-V428 PolarHBondContact O-N 2.79Å; G321-V428 CarbonylContact C-O 3.52Å; G321-V428 WeakPolarHBondContact CA-O 2.73Å; L322-V428 PolarHBondContact N-O 3.38Å; I345-V428 HydrophobicContact CD1-CG2 4.45Å; C347-V428 VanDerWaalsContact SG-CG1 3.55Å; V412-V428 HydrophobicContact CG1-CG1 4Å; V412-V428 HydrophobicContact CG1-CG2 3.92Å; V412-V428 HydrophobicContact CG2-CG1 4.42Å; I416-V428 HydrophobicContact CD1-CG2 4.29Å; V428-L433 HydrophobicContact CG1-CD1 4.27Å; V428-V442 HydrophobicContact CB-CG1 4.24Å; V428-V442 HydrophobicContact CG2-CG1 4.2Å
429E97.7Very high89.7Confident7 Ų735 Ų353%0.03320%0.195CC..EExtended strand (participates in β ladder)trans-84.9110.2177.8-176.5-173-166.500109.9K330 S331 C334 V344 I345 N346 C347K330-E429 HydrophobicContact CB-CG 4.34Å; S331-E429 WeakPolarHBondContact CA-OE1 3.37Å; S331-E429 PolarHBondContact N-OE1 2.92Å; S331-E429 PolarHBondContact OG-OE1 3.46Å; C334-E429 PolarHBondContact SG-OE2 2.89Å; V344-E429 HydrophobicContact CG1-CB 4.28Å; I345-E429 PolarHBondContact O-N 3.42Å; N346-E429 PolarHBondContact ND2-OE2 2.82Å; C347-E429 VanDerWaalsContact CB-O 3.3Å; C347-E429 WeakPolarHBondContact CB-O 3.29Å; C347-E429 PolarHBondContact N-O 3.02Å
430A95.4Very high89.9Confident1 Ų139 Ų391%0.00822%0.224CC..  trans-147.1122.5178.100000111.2L322 T323 C347 V432 L433 W438L322-A430 PolarHBondContact O-N 2.79Å; T323-A430 WeakPolarHBondContact CA-O 3.38Å; T323-A430 PolarHBondContact OG1-O 2.94Å; C347-A430 HydrophobicContact CB-CB 3.77Å; A430-V432 PolarHBondContact O-N 2.81Å; A430-L433 HydrophobicContact CB-CB 4Å; A430-L433 HydrophobicContact CB-CD1 4.21Å; A430-L433 WeakPolarHBondContact O-CB 3.49Å; A430-L433 PolarHBondContact O-N 3.08Å; A430-W438 HydrophobicContact CB-CE3 3.83Å; A430-W438 HydrophobicContact CB-CZ3 3.74Å
431A92.4Very high90.8Very high39 Ų3940.2 Ų40.232%0.32223%0.226SC..THydrogen-bonded Turntrans-64.9-29.7173.800000112.5T323T323-A431 PolarHBondContact OG1-O 2.86Å
432V92.8Very high91.7Very high40 Ų4033.4 Ų33.424%0.24220%0.195CC..THydrogen-bonded Turntrans-97.915-179.4-61.10000112.9W405 A430 L434 E435 A436 W438W405-V432 HydrophobicContact CZ2-CB 4.12Å; W405-V432 HydrophobicContact CZ2-CG1 4.24Å; W405-V432 HydrophobicContact CZ2-CG2 4.4Å; A430-V432 PolarHBondContact O-N 2.81Å; V432-L434 VanDerWaalsContact C-N 3.26Å; V432-L434 PolarHBondContact O-N 3Å; V432-L434 VanDerWaalsContact O-N 3.15Å; V432-E435 HydrophobicContact CB-CB 4.48Å; V432-E435 PolarHBondContact O-N 3.01Å; V432-A436 HydrophobicContact CG2-CB 4.35Å; V432-A436 VanDerWaalsContact O-CB 3.25Å; V432-A436 WeakPolarHBondContact O-CB 3.29Å; V432-A436 PolarHBondContact O-N 3.12Å; V432-W438 HydrophobicContact CG2-CH2 3.91Å; V432-W438 HydrophobicContact CG2-CZ3 3.82Å
433L95.1Very high92.4Very high0 Ų028.2 Ų28.20%017%0.166CC..THydrogen-bonded Turntrans-47.8-48.8-173.7-174.480.1000112.5T323 V428 A430 W438 V442 V445T323-L433 HydrophobicContact CG2-CD2 4.39Å; V428-L433 HydrophobicContact CG1-CD1 4.27Å; A430-L433 HydrophobicContact CB-CB 4Å; A430-L433 HydrophobicContact CB-CD1 4.21Å; A430-L433 WeakPolarHBondContact O-CB 3.49Å; A430-L433 PolarHBondContact O-N 3.08Å; L433-W438 HydrophobicContact CD1-CB 3.89Å; L433-W438 HydrophobicContact CG-CB 4.43Å; L433-W438 WeakPolarHBondContact O-CA 3.18Å; L433-W438 WeakPolarHBondContact O-CB 3.4Å; L433-W438 PolarHBondContact O-N 3.01Å; L433-V442 HydrophobicContact CD1-CG1 4.46Å; L433-V445 HydrophobicContact CD2-CG1 4.18Å; L433-V445 HydrophobicContact CD2-CG2 4.4Å
434L93.6Very high93Very high12 Ų1226.5 Ų26.56%0.06316%0.157CC..THydrogen-bonded Turntrans-80.7-42.7-176.7-58.4179.2000111.8T323 V432 A436 G437 E439 V445 F479 N484 C487T323-L434 HydrophobicContact CG2-CD1 4.18Å; T323-L434 HydrophobicContact CG2-CG 4.31Å; V432-L434 VanDerWaalsContact C-N 3.26Å; V432-L434 PolarHBondContact O-N 3Å; V432-L434 VanDerWaalsContact O-N 3.15Å; L434-A436 PolarHBondContact O-N 3.33Å; L434-G437 PolarHBondContact O-N 2.83Å; L434-E439 HydrophobicContact CD2-CB 3.95Å; L434-V445 HydrophobicContact CD2-CG1 4.14Å; L434-V445 HydrophobicContact CD2-CG2 4.32Å; L434-F479 HydrophobicContact CB-CD1 3.8Å; L434-F479 HydrophobicContact CB-CD2 4.35Å; L434-F479 HydrophobicContact CB-CE1 3.45Å; L434-F479 VanDerWaalsContact CB-CE1 3.45Å; L434-F479 HydrophobicContact CB-CE2 4.07Å; L434-F479 HydrophobicContact CB-CG 4.23Å; L434-F479 HydrophobicContact CB-CZ 3.62Å; L434-F479 HydrophobicContact CD1-CD1 3.88Å; L434-F479 HydrophobicContact CD1-CE1 3.39Å; L434-F479 HydrophobicContact CD1-CZ 4.22Å; L434-F479 HydrophobicContact CG-CD1 4.49Å; L434-F479 HydrophobicContact CG-CE1 4.05Å; L434-N484 WeakPolarHBondContact CD1-OD1 3.43Å; L434-C487 HydrophobicContact CD1-CB 3.73Å; L434-C487 HydrophobicContact CD2-CB 3.81Å; L434-C487 HydrophobicContact CG-CB 4.43Å
435E91.8Very high93.6Very high51 Ų5123.5 Ų23.524%0.23815%0.146CC..THydrogen-bonded Turntrans-59.3-36.8178.1-166.1-175.8153.900112.2W405 V432 G437 R478 F479W405-E435 HydrophobicContact CH2-CB 4.33Å; W405-E435 HydrophobicContact CH2-CG 3.81Å; V432-E435 HydrophobicContact CB-CB 4.48Å; V432-E435 PolarHBondContact O-N 3.01Å; E435-G437 VanDerWaalsContact C-N 3.32Å; E435-R478 HydrophobicContact CG-CB 4.47Å; E435-R478 WeakPolarHBondContact OE1-CD 3.32Å; E435-F479 HydrophobicContact CB-CD2 4.45Å
436A93.3Very high94Very high20 Ų2023.4 Ų23.417%0.16515%0.146CC..THydrogen-bonded Turntrans-85.20.5179.100000113.9W405 V432 L434 W438W405-A436 HydrophobicContact CD2-CB 3.59Å; W405-A436 HydrophobicContact CE3-CB 3.57Å; W405-A436 HydrophobicContact CG-CB 4.06Å; W405-A436 HydrophobicContact CH2-CB 4.31Å; W405-A436 HydrophobicContact CZ2-CB 4.32Å; W405-A436 HydrophobicContact CZ3-CB 3.95Å; V432-A436 HydrophobicContact CG2-CB 4.35Å; V432-A436 VanDerWaalsContact O-CB 3.25Å; V432-A436 WeakPolarHBondContact O-CB 3.29Å; V432-A436 PolarHBondContact O-N 3.12Å; L434-A436 PolarHBondContact O-N 3.33Å; A436-W438 HydrophobicContact CB-CD2 3.7Å; A436-W438 VanDerWaalsContact CB-CE2 3.42Å; A436-W438 HydrophobicContact CB-CE3 4.34Å; A436-W438 HydrophobicContact CB-CG 3.94Å; A436-W438 HydrophobicContact CB-CH2 4.44Å; A436-W438 HydrophobicContact CB-CZ2 3.84Å; A436-W438 VanDerWaalsContact O-CD1 3.26Å; A436-W438 PolarHBondContact O-N 3.04Å
437G92.9Very high94.1Very high38 Ų3823.6 Ų23.639%0.39215%0.147SC..THydrogen-bonded Turntrans69.816.9-178.100000114.5L434 E435 E439 S440L434-G437 PolarHBondContact O-N 2.83Å; E435-G437 VanDerWaalsContact C-N 3.32Å; G437-E439 PolarHBondContact O-N 3.14Å; G437-S440 PolarHBondContact O-OG 2.86Å
438W95.2Very high94.1Very high12 Ų1223.6 Ų23.65%0.04515%0.147CC..G310 helixtrans-77-0.4-179.4-58.9-14.5000113.3C347 W405 I408 A430 V432 L433 A436 S440 L441C347-W438 HydrophobicContact CB-CZ3 3.94Å; W405-W438 HydrophobicContact CB-CZ2 3.81Å; W405-W438 AromaticContact CD1-CZ2 3.85Å; W405-W438 AromaticContact CG-CZ2 3.87Å; W405-W438 HydrophobicContact CG-CZ2 3.87Å; I408-W438 HydrophobicContact CB-CH2 3.89Å; I408-W438 HydrophobicContact CB-CZ2 3.91Å; I408-W438 HydrophobicContact CD1-CH2 4.11Å; I408-W438 HydrophobicContact CG2-CH2 3.46Å; I408-W438 VanDerWaalsContact CG2-CH2 3.46Å; I408-W438 HydrophobicContact CG2-CZ2 3.9Å; I408-W438 HydrophobicContact CG2-CZ3 4.04Å; A430-W438 HydrophobicContact CB-CE3 3.83Å; A430-W438 HydrophobicContact CB-CZ3 3.74Å; V432-W438 HydrophobicContact CG2-CH2 3.91Å; V432-W438 HydrophobicContact CG2-CZ3 3.82Å; L433-W438 HydrophobicContact CD1-CB 3.89Å; L433-W438 HydrophobicContact CG-CB 4.43Å; L433-W438 WeakPolarHBondContact O-CA 3.18Å; L433-W438 WeakPolarHBondContact O-CB 3.4Å; L433-W438 PolarHBondContact O-N 3.01Å; A436-W438 HydrophobicContact CB-CD2 3.7Å; A436-W438 VanDerWaalsContact CB-CE2 3.42Å; A436-W438 HydrophobicContact CB-CE3 4.34Å; A436-W438 HydrophobicContact CB-CG 3.94Å; A436-W438 HydrophobicContact CB-CH2 4.44Å; A436-W438 HydrophobicContact CB-CZ2 3.84Å; A436-W438 VanDerWaalsContact O-CD1 3.26Å; A436-W438 PolarHBondContact O-N 3.04Å; W438-S440 PolarHBondContact O-N 3.44Å; W438-S440 VanDerWaalsContact O-N 3.14Å; W438-L441 HydrophobicContact CB-CD1 4.06Å; W438-L441 HydrophobicContact CB-CG 4.44Å; W438-L441 HydrophobicContact CG-CD1 4.17Å; W438-L441 WeakPolarHBondContact O-CB 3.43Å; W438-L441 PolarHBondContact O-N 2.8Å
439E92.8Very high93.9Very high66 Ų6624.5 Ų24.531%0.30815%0.15SC..G310 helixtrans-55.3-26.716865.7164.5-132.800112.4K310 L434 G437 L441 V442 V445K310-E439 IonicContact NZ-OE1 3.15Å; K310-E439 PolarHBondContact NZ-OE1 2.91Å; L434-E439 HydrophobicContact CD2-CB 3.95Å; G437-E439 PolarHBondContact O-N 3.14Å; E439-L441 PolarHBondContact O-N 2.76Å; E439-V442 WeakPolarHBondContact O-CG2 3.39Å; E439-V442 PolarHBondContact O-N 2.66Å; E439-V445 HydrophobicContact CB-CG2 4.38Å
440S92.6Very high93.7Very high99 Ų9924.7 Ų24.769%0.69215%0.152SC*.G310 helixtrans-68.7-17.4175.658.20000114.2G437 W438G437-S440 PolarHBondContact O-OG 2.86Å; W438-S440 PolarHBondContact O-N 3.44Å; W438-S440 VanDerWaalsContact O-N 3.14Å
441L93.3Very high93.5Very high42 Ų4225.6 Ų25.622%0.2216%0.158CC..G310 helixtrans-89.6-7.3-179.7-55-179.8000113A409 V412 V413 W438 E439A409-L441 HydrophobicContact CB-CD1 4.03Å; V412-L441 HydrophobicContact CG1-CD1 4.38Å; V413-L441 HydrophobicContact CG2-CD2 3.94Å; W438-L441 HydrophobicContact CB-CD1 4.06Å; W438-L441 HydrophobicContact CB-CG 4.44Å; W438-L441 HydrophobicContact CG-CD1 4.17Å; W438-L441 WeakPolarHBondContact O-CB 3.43Å; W438-L441 PolarHBondContact O-N 2.8Å; E439-L441 PolarHBondContact O-N 2.76Å
442V93.8Very high93.4Very high14 Ų1427.9 Ų27.99%0.08516%0.162CC..  trans-126.4154.8-171.7-50.60000111I319 V428 L433 E439 V445I319-V442 HydrophobicContact CG2-CB 4.03Å; I319-V442 HydrophobicContact CG2-CG1 3.8Å; V428-V442 HydrophobicContact CB-CG1 4.24Å; V428-V442 HydrophobicContact CG2-CG1 4.2Å; L433-V442 HydrophobicContact CD1-CG1 4.46Å; E439-V442 WeakPolarHBondContact O-CG2 3.39Å; E439-V442 PolarHBondContact O-N 2.66Å; V442-V445 HydrophobicContact CG2-CG2 3.99Å
443H92.1Very high93.3Very high41 Ų4128.7 Ų28.719%0.1918%0.178CC..SBendtrans-86.2-30.9177.8-50.3136.7000112P313 P317 Y318 I319P313-H443 HydrophobicContact CG-CB 4.46Å; P313-H443 WeakPolarHBondContact CG-CE1 3.24Å; P313-H443 WeakPolarHBondContact CG-ND1 3.35Å; P317-H443 PolarHBondContact O-CE1 2.88Å; Y318-H443 HydrophobicContact CD2-CB 4.44Å; Y318-H443 AromaticContact CD2-ND1 3.83Å; Y318-H443 HydrophobicContact CE1-CB 4.47Å; Y318-H443 HydrophobicContact CE2-CB 3.91Å; I319-H443 PolarHBondContact N-CE1 3.21Å; I319-H443 PolarHBondContact N-ND1 3.46Å; I319-H443 PolarHBondContact O-N 3.01Å
444E92.3Very high93.1Very high0 Ų030.7 Ų30.70%019%0.187CC..EExtended strand (participates in β ladder)trans-142.1138-175.2-168.2170.7129.900110.6P309 Y318 I319 I320 G321 W446 N489 V490 F508P309-E444 HydrophobicContact CB-CB 4.4Å; P309-E444 HydrophobicContact CB-CG 4.37Å; P309-E444 HydrophobicContact CG-CB 4.35Å; P309-E444 HydrophobicContact CG-CG 3.9Å; P309-E444 WeakPolarHBondContact CG-OE2 3.49Å; Y318-E444 HydrophobicContact CE1-CB 4.01Å; Y318-E444 PolarHBondContact OH-OE2 3.41Å; I319-E444 PolarHBondContact O-N 2.82Å; I320-E444 CarbonylContact C-O 3.54Å; I320-E444 WeakPolarHBondContact CA-O 3.44Å; G321-E444 PolarHBondContact N-O 3.09Å; E444-W446 PolarHBondContact OE1-NE1 2.94Å; E444-N489 HydrophobicContact CG-CB 3.44Å; E444-N489 VanDerWaalsContact CG-CB 3.44Å; E444-V490 WeakPolarHBondContact OE1-CG2 3.47Å; E444-F508 WeakPolarHBondContact OE1-CE2 3.45Å
445V94.7Very high93.1Very high8 Ų830.3 Ų30.35%0.04819%0.186CC..EExtended strand (participates in β ladder)trans-104.9124.2178.5177.90000110.1G321 T323 L433 L434 E439 V442 N489 V490G321-V445 CarbonylContact O-C 3.57Å; T323-V445 HydrophobicContact CG2-CG1 4.04Å; L433-V445 HydrophobicContact CD2-CG1 4.18Å; L433-V445 HydrophobicContact CD2-CG2 4.4Å; L434-V445 HydrophobicContact CD2-CG1 4.14Å; L434-V445 HydrophobicContact CD2-CG2 4.32Å; E439-V445 HydrophobicContact CB-CG2 4.38Å; V442-V445 HydrophobicContact CG2-CG2 3.99Å; V445-N489 PolarHBondContact N-OD1 3.26Å; V445-N489 WeakPolarHBondContact O-CB 3.48Å; V445-N489 PolarHBondContact O-N 3.26Å; V445-V490 PolarHBondContact O-N 2.86Å
446W95.8Very high93.2Very high0 Ų028.4 Ų28.40%018%0.178CC..EExtended strand (participates in β ladder)trans-107.7130174.2-70.814.1000109.8I320 G321 L322 T323 L337 E444 V490 F492 F508I320-W446 HydrophobicContact CD1-CH2 4.07Å; I320-W446 HydrophobicContact CD1-CZ2 3.62Å; I320-W446 HydrophobicContact CG2-CB 4.1Å; I320-W446 HydrophobicContact CG2-CD2 3.46Å; I320-W446 VanDerWaalsContact CG2-CD2 3.46Å; I320-W446 HydrophobicContact CG2-CE3 4.07Å; I320-W446 HydrophobicContact CG2-CG 3.46Å; I320-W446 VanDerWaalsContact CG2-CG 3.46Å; I320-W446 HydrophobicContact CG2-CZ2 4.4Å; G321-W446 PolarHBondContact O-N 3.42Å; L322-W446 WeakPolarHBondContact CA-O 3.29Å; L322-W446 HydrophobicContact CD1-CB 3.68Å; T323-W446 PolarHBondContact N-O 2.9Å; L337-W446 HydrophobicContact CD1-CE3 4.18Å; L337-W446 HydrophobicContact CD1-CZ3 3.78Å; L337-W446 HydrophobicContact CD2-CH2 4.18Å; L337-W446 HydrophobicContact CD2-CZ3 3.84Å; L337-W446 HydrophobicContact CG-CZ3 4.38Å; E444-W446 PolarHBondContact OE1-NE1 2.94Å; W446-V490 CarbonylContact C-O 3.54Å; W446-V490 WeakPolarHBondContact CA-O 3.32Å; W446-V490 HydrophobicContact CD2-CB 4.44Å; W446-V490 HydrophobicContact CG-CB 4.08Å; W446-F492 HydrophobicContact CB-CE2 4.09Å; W446-F492 AromaticContact CD2-CE2 3.58Å; W446-F492 HydrophobicContact CD2-CE2 3.58Å; W446-F492 HydrophobicContact CD2-CZ 4.08Å; W446-F492 HydrophobicContact CE3-CD2 4.3Å; W446-F492 AromaticContact CE3-CE2 3.21Å; W446-F492 HydrophobicContact CE3-CE2 3.21Å; W446-F492 AromaticContact CE3-CZ 3.56Å; W446-F492 HydrophobicContact CE3-CZ 3.56Å; W446-F492 AromaticContact CG-CE2 3.98Å; W446-F492 HydrophobicContact CG-CE2 3.98Å; W446-F492 HydrophobicContact CH2-CZ 4.17Å; W446-F492 AromaticContact CZ3-CE2 3.76Å; W446-F492 HydrophobicContact CZ3-CE2 3.76Å; W446-F492 AromaticContact CZ3-CZ 3.57Å; W446-F492 HydrophobicContact CZ3-CZ 3.57Å; W446-F508 AromaticContact CH2-CD1 3.65Å; W446-F508 HydrophobicContact CH2-CD1 3.65Å; W446-F508 AromaticContact CH2-CE1 3.94Å; W446-F508 HydrophobicContact CH2-CE1 3.94Å; W446-F508 HydrophobicContact CH2-CG 4Å; W446-F508 AromaticContact CZ2-CD1 3.52Å; W446-F508 HydrophobicContact CZ2-CD1 3.52Å; W446-F508 HydrophobicContact CZ2-CD2 4.02Å; W446-F508 AromaticContact CZ2-CE1 3.39Å; W446-F508 HydrophobicContact CZ2-CE1 3.39Å; W446-F508 AromaticContact CZ2-CE2 3.89Å; W446-F508 HydrophobicContact CZ2-CE2 3.89Å; W446-F508 AromaticContact CZ2-CG 3.84Å; W446-F508 HydrophobicContact CZ2-CG 3.84Å; W446-F508 AromaticContact CZ2-CZ 3.57Å; W446-F508 HydrophobicContact CZ2-CZ 3.57Å
447L96Very high93.3Very high5 Ų533 Ų333%0.02619%0.194CC..EExtended strand (participates in β ladder)trans-106.7131.9177.9173.862.7000110.3T323 N484 F485 A488 V490 V491 F492T323-L447 HydrophobicContact CG2-CD1 4.15Å; T323-L447 CarbonylContact O-C 3.57Å; L447-N484 HydrophobicContact CD1-CB 3.87Å; L447-N484 HydrophobicContact CD2-CB 3.95Å; L447-F485 HydrophobicContact CD2-CD1 3.94Å; L447-F485 HydrophobicContact CD2-CD2 4.23Å; L447-F485 HydrophobicContact CD2-CE1 4.15Å; L447-F485 HydrophobicContact CD2-CE2 4.38Å; L447-F485 HydrophobicContact CD2-CG 3.96Å; L447-F485 HydrophobicContact CD2-CZ 4.34Å; L447-A488 HydrophobicContact CB-CB 3.65Å; L447-A488 HydrophobicContact CD2-CB 4.27Å; L447-V490 PolarHBondContact N-O 3.23Å; L447-V491 HydrophobicContact CB-CG2 4.34Å; L447-V491 HydrophobicContact CD2-CG1 4.41Å; L447-V491 HydrophobicContact CD2-CG2 4.37Å; L447-V491 CarbonylContact O-C 3.5Å; L447-V491 WeakPolarHBondContact O-CA 3.34Å; L447-F492 PolarHBondContact O-N 3.13Å
448T95.4Very high93.4Very high0 Ų034 Ų340%019%0.186CC..EExtended strand (participates in β ladder)trans-104.6122.8165-380000110.7T323 G324 S328 I333 F492T323-T448 PolarHBondContact O-N 2.79Å; G324-T448 VanDerWaalsContact CA-O 3.31Å; G324-T448 WeakPolarHBondContact CA-O 3.17Å; S328-T448 WeakPolarHBondContact CB-O 3.3Å; S328-T448 WeakPolarHBondContact O-CG2 3.35Å; S328-T448 PolarHBondContact OG-O 3.35Å; I333-T448 HydrophobicContact CD1-CG2 3.48Å; I333-T448 VanDerWaalsContact CD1-CG2 3.48Å; I333-T448 WeakPolarHBondContact CD1-OG1 3.21Å; T448-F492 WeakPolarHBondContact CA-O 3.45Å; T448-F492 HydrophobicContact CG2-CB 4.33Å
449Y94Very high93.3Very high19 Ų1933.4 Ų33.48%0.07518%0.184CC..EExtended strand (participates in β ladder)trans-121146.5-174.3171.2-94.9000112.3F198 L199 F485 F492 C493 S494F198-Y449 HydrophobicContact CD2-CE1 4.07Å; F198-Y449 AromaticContact CE2-CE1 3.86Å; F198-Y449 HydrophobicContact CE2-CE1 3.86Å; L199-Y449 HydrophobicContact CD2-CD1 3.44Å; L199-Y449 VanDerWaalsContact CD2-CD1 3.44Å; L199-Y449 HydrophobicContact CD2-CE1 3.73Å; L199-Y449 HydrophobicContact CD2-CG 4.36Å; L199-Y449 HydrophobicContact CG-CE1 4.42Å; Y449-F485 HydrophobicContact CD1-CZ 4.31Å; Y449-F485 AromaticContact CD2-CE2 3.81Å; Y449-F485 HydrophobicContact CD2-CE2 3.81Å; Y449-F485 AromaticContact CD2-CZ 3.83Å; Y449-F485 HydrophobicContact CD2-CZ 3.83Å; Y449-F485 HydrophobicContact CE2-CE2 4.04Å; Y449-F485 HydrophobicContact CE2-CZ 4.24Å; Y449-F485 HydrophobicContact CG-CE2 4.32Å; Y449-F485 AromaticContact CG-CZ 3.86Å; Y449-F485 HydrophobicContact CG-CZ 3.86Å; Y449-F492 PolarHBondContact N-O 2.95Å; Y449-C493 VanDerWaalsContact O-CA 3.25Å; Y449-C493 WeakPolarHBondContact O-CA 3.41Å; Y449-C493 PolarHBondContact O-SG 3.41Å; Y449-S494 PolarHBondContact O-N 3.02Å
450V93Very high93.4Very high11 Ų1133.1 Ų33.17%0.06718%0.183CC..  trans-143.5155.4161.6-67.40000108.3E454 A455 S494V450-E454 HydrophobicContact CB-CG 4.42Å; V450-A455 HydrophobicContact CG2-CB 3.94Å; V450-S494 WeakPolarHBondContact CG1-OG 3.41Å
451P90.3Very high93.5Very high21 Ų2132.8 Ų32.814%0.13617%0.174CC..  trans-55.6150172.9-22.633.7000111.8F198 G453 E454 A455 L495F198-P451 HydrophobicContact CD2-CG 3.77Å; F198-P451 HydrophobicContact CE2-CG 3.67Å; P451-G453 VanDerWaalsContact C-N 3.33Å; P451-G453 PolarHBondContact O-N 2.83Å; P451-E454 HydrophobicContact CB-CB 4.44Å; P451-E454 PolarHBondContact O-N 3.01Å; P451-E454 VanDerWaalsContact O-N 3.11Å; P451-A455 PolarHBondContact O-N 2.85Å; P451-L495 HydrophobicContact CG-CD1 4.19Å; P451-L495 HydrophobicContact CG-CD2 4.13Å
452E89.9Confident93.3Very high87 Ų8738.5 Ų38.541%0.40719%0.192SC..Hα-helixtrans-56.8-46.1-180179.4177.3117.200112.3E454 A455 V456 L471 V474 H475E452-E454 PolarHBondContact O-N 3.14Å; E452-A455 WeakPolarHBondContact O-CB 3.39Å; E452-A455 PolarHBondContact O-N 2.94Å; E452-A455 VanDerWaalsContact O-N 3.11Å; E452-V456 HydrophobicContact CG-CG2 4.3Å; E452-V456 WeakPolarHBondContact O-CG2 3.4Å; E452-V456 PolarHBondContact O-N 3.15Å; E452-L471 HydrophobicContact CG-CD1 4.17Å; E452-L471 VanDerWaalsContact OE1-CD1 3.25Å; E452-L471 WeakPolarHBondContact OE1-CD1 3.46Å; E452-V474 HydrophobicContact CG-CG1 4.14Å; E452-H475 IonicContact OE1-CE1 2.65Å; E452-H475 IonicContact OE1-NE2 3.09Å; E452-H475 PolarHBondContact OE1-NE2 3.25Å; E452-H475 IonicContact OE2-CD2 3.36Å; E452-H475 IonicContact OE2-CE1 3.25Å; E452-H475 IonicContact OE2-NE2 2.76Å; E452-H475 PolarHBondContact OE2-NE2 2.79Å
453G90.5Very high93Very high56 Ų5640.3 Ų40.358%0.57720%0.203SC*.Hα-helixtrans-57-39178.400000112.6P451 K457P451-G453 VanDerWaalsContact C-N 3.33Å; P451-G453 PolarHBondContact O-N 2.83Å; G453-K457 WeakPolarHBondContact O-CB 3.33Å; G453-K457 PolarHBondContact O-N 2.76Å
454E92.7Very high92.9Very high42 Ų4246.5 Ų46.520%0.19623%0.23CC..Hα-helixtrans-72.7-40.5176.2-178.559.9-161.400111.7V450 P451 E452 V456 K457 R458 L495V450-E454 HydrophobicContact CB-CG 4.42Å; P451-E454 HydrophobicContact CB-CB 4.44Å; P451-E454 PolarHBondContact O-N 3.01Å; P451-E454 VanDerWaalsContact O-N 3.11Å; E452-E454 PolarHBondContact O-N 3.14Å; E454-V456 VanDerWaalsContact C-N 3.33Å; E454-V456 PolarHBondContact O-N 3.34Å; E454-K457 PolarHBondContact O-N 2.71Å; E454-R458 HydrophobicContact CG-CG 4.49Å; E454-R458 WeakPolarHBondContact O-CB 3.41Å; E454-R458 VanDerWaalsContact O-CG 3.3Å; E454-R458 WeakPolarHBondContact O-CG 3.45Å; E454-R458 PolarHBondContact O-N 2.79Å; E454-R458 IonicContact OE1-CZ 2.87Å; E454-R458 IonicContact OE1-NE 2.61Å; E454-R458 PolarHBondContact OE1-NE 2.75Å; E454-R458 IonicContact OE1-NH2 3.84Å; E454-R458 PolarHBondContact OE1-NH2 2.87Å; E454-L495 HydrophobicContact CB-CD1 4.05Å; E454-L495 HydrophobicContact CG-CD1 3.78Å
455A92.3Very high92.7Very high5 Ų547.4 Ų47.44%0.04124%0.236CC..Hα-helixtrans-59.1-45.2173.800000111.5V450 P451 E452 R458 V459 V474V450-A455 HydrophobicContact CG2-CB 3.94Å; P451-A455 PolarHBondContact O-N 2.85Å; E452-A455 WeakPolarHBondContact O-CB 3.39Å; E452-A455 PolarHBondContact O-N 2.94Å; E452-A455 VanDerWaalsContact O-N 3.11Å; A455-R458 PolarHBondContact O-N 2.9Å; A455-V459 WeakPolarHBondContact O-CB 3.48Å; A455-V459 VanDerWaalsContact O-CG2 3.25Å; A455-V459 WeakPolarHBondContact O-CG2 3.47Å; A455-V459 PolarHBondContact O-N 2.88Å; A455-V474 HydrophobicContact CB-CG1 4.25Å; A455-V474 HydrophobicContact CB-CG2 3.85Å
456V94.3Very high92.6Very high11 Ų1150.8 Ų50.87%0.06726%0.257CS..Hα-helixtrans-59.6-49.7176.7170.40000110.3E452 E454 R458 V459 M460 Q467 A470 L471 V474E452-V456 HydrophobicContact CG-CG2 4.3Å; E452-V456 WeakPolarHBondContact O-CG2 3.4Å; E452-V456 PolarHBondContact O-N 3.15Å; E454-V456 VanDerWaalsContact C-N 3.33Å; E454-V456 PolarHBondContact O-N 3.34Å; V456-R458 PolarHBondContact O-N 2.7Å; V456-V459 PolarHBondContact O-N 3.14Å; V456-M460 HydrophobicContact CG1-CG 4.5Å; V456-M460 HydrophobicContact CG1-SD 3.97Å; V456-M460 WeakPolarHBondContact O-CG 3.14Å; V456-M460 PolarHBondContact O-N 3.45Å; V456-Q467 HydrophobicContact CG1-CG 3.99Å; V456-A470 HydrophobicContact CG1-CB 3.89Å; V456-L471 HydrophobicContact CG2-CB 4.35Å; V456-L471 HydrophobicContact CG2-CD1 3.84Å; V456-V474 HydrophobicContact CG2-CB 4.47Å; V456-V474 HydrophobicContact CG2-CG2 3.93Å
457K95.1Very high92.5Very high116 Ų11657.3 Ų57.350%0.50429%0.287SS..Hα-helixtrans-56.2-50.4177.1-177.7-175.4174.3-168.70111.7G453 E454 V459 M460 D461G453-K457 WeakPolarHBondContact O-CB 3.33Å; G453-K457 PolarHBondContact O-N 2.76Å; E454-K457 PolarHBondContact O-N 2.71Å; K457-V459 VanDerWaalsContact C-N 3.32Å; K457-V459 PolarHBondContact O-N 2.86Å; K457-M460 WeakPolarHBondContact O-CB 3.39Å; K457-M460 PolarHBondContact O-N 3.07Å; K457-D461 PolarHBondContact O-N 2.68Å
458R94.8Very high92.3Very high58 Ų5863.9 Ų63.922%0.21932%0.316CS..Hα-helixtrans-61.7-38178.4-69.7176.3-176.6-162.8-1.1112.9A327 E454 A455 V456 R462 S494 L495A327-R458 HydrophobicContact CB-CB 3.61Å; A327-R458 WeakPolarHBondContact O-CD 3.35Å; A327-R458 PolarHBondContact O-NH1 3.13Å; E454-R458 HydrophobicContact CG-CG 4.49Å; E454-R458 WeakPolarHBondContact O-CB 3.41Å; E454-R458 VanDerWaalsContact O-CG 3.3Å; E454-R458 WeakPolarHBondContact O-CG 3.45Å; E454-R458 PolarHBondContact O-N 2.79Å; E454-R458 IonicContact OE1-CZ 2.87Å; E454-R458 IonicContact OE1-NE 2.61Å; E454-R458 PolarHBondContact OE1-NE 2.75Å; E454-R458 IonicContact OE1-NH2 3.84Å; E454-R458 PolarHBondContact OE1-NH2 2.87Å; A455-R458 PolarHBondContact O-N 2.9Å; V456-R458 PolarHBondContact O-N 2.7Å; R458-R462 VanDerWaalsContact O-CB 3.29Å; R458-R462 WeakPolarHBondContact O-CB 3.11Å; R458-R462 PolarHBondContact O-N 2.84Å; R458-S494 PolarHBondContact NH1-O 3.3Å; R458-S494 PolarHBondContact NH1-OG 3.31Å; R458-S494 PolarHBondContact NH2-O 3.3Å; R458-L495 PolarHBondContact NH2-O 3.49Å
459V93.3Very high92Very high0 Ų068 Ų680%034%0.335CS..Hα-helixtrans-65.6-46175.4170.60000110.6I326 A327 A455 V456 K457 D461 R462 T463 A470 R473 V474I326-V459 HydrophobicContact CD1-CG2 3.87Å; I326-V459 HydrophobicContact CG1-CG2 3.93Å; I326-V459 HydrophobicContact CG2-CG2 3.9Å; A327-V459 HydrophobicContact CB-CG2 4.02Å; A455-V459 WeakPolarHBondContact O-CB 3.48Å; A455-V459 VanDerWaalsContact O-CG2 3.25Å; A455-V459 WeakPolarHBondContact O-CG2 3.47Å; A455-V459 PolarHBondContact O-N 2.88Å; V456-V459 PolarHBondContact O-N 3.14Å; K457-V459 VanDerWaalsContact C-N 3.32Å; K457-V459 PolarHBondContact O-N 2.86Å; V459-D461 PolarHBondContact O-N 3.42Å; V459-R462 PolarHBondContact O-N 3.19Å; V459-T463 PolarHBondContact O-N 3.15Å; V459-T463 PolarHBondContact O-OG1 3.06Å; V459-A470 HydrophobicContact CB-CB 4.07Å; V459-A470 HydrophobicContact CG1-CB 3.77Å; V459-R473 HydrophobicContact CG1-CB 4.48Å; V459-V474 HydrophobicContact CG2-CG2 4.39Å
460M94.9Very high91.8Very high60 Ų6067.1 Ų67.130%0.29633%0.332SS..Hα-helixtrans-59.5-45.6175.7-68.7174.462.900111.5V456 K457 R462 K464 Q467 A470V456-M460 HydrophobicContact CG1-CG 4.5Å; V456-M460 HydrophobicContact CG1-SD 3.97Å; V456-M460 WeakPolarHBondContact O-CG 3.14Å; V456-M460 PolarHBondContact O-N 3.45Å; K457-M460 WeakPolarHBondContact O-CB 3.39Å; K457-M460 PolarHBondContact O-N 3.07Å; M460-R462 VanDerWaalsContact C-N 3.32Å; M460-R462 PolarHBondContact O-N 3.07Å; M460-K464 WeakPolarHBondContact O-CA 2.79Å; M460-K464 PolarHBondContact O-N 2.98Å; M460-Q467 HydrophobicContact CE-CB 4.16Å; M460-Q467 VanDerWaalsContact SD-CA 3.55Å; M460-Q467 HydrophobicContact SD-CB 3.8Å; M460-Q467 HydrophobicContact SD-CG 4.16Å; M460-A470 HydrophobicContact CG-CB 3.51Å; M460-A470 HydrophobicContact SD-CB 4.43Å
461D94.5Very high91.7Very high93 Ų9369.5 Ų69.550%0.49734%0.343SS..Hα-helixtrans-62.5-40.8-179.8-73.7-24.3000112.1K457 V459 K464K457-D461 PolarHBondContact O-N 2.68Å; V459-D461 PolarHBondContact O-N 3.42Å; D461-K464 WeakPolarHBondContact O-CE 3.42Å; D461-K464 PolarHBondContact O-NZ 3.29Å
462R90.1Very high91.6Very high161 Ų16175.2 Ų75.261%0.60836%0.362SS*.Hα-helixtrans-74.3-42.2-179.6-174.5176.968.5172.13.8113.3R458 V459 M460R458-R462 VanDerWaalsContact O-CB 3.29Å; R458-R462 WeakPolarHBondContact O-CB 3.11Å; R458-R462 PolarHBondContact O-N 2.84Å; V459-R462 PolarHBondContact O-N 3.19Å; M460-R462 VanDerWaalsContact C-N 3.32Å; M460-R462 PolarHBondContact O-N 3.07Å
463T86.6Confident91.5Very high52 Ų5275.7 Ų75.732%0.31936%0.36SS..Hα-helixtrans-111-0.8-170.364.50000114.8V459 C465 R473V459-T463 PolarHBondContact O-N 3.15Å; V459-T463 PolarHBondContact O-OG1 3.06Å; T463-C465 PolarHBondContact O-N 2.94Å; T463-C465 VanDerWaalsContact O-N 3.08Å; T463-C465 PolarHBondContact OG1-SG 3.32Å; T463-R473 PolarHBondContact OG1-NH1 3.13Å
464K90.3Very high91.4Very high171 Ų17174.4 Ų74.474%0.74334%0.341SS*.  trans51.429.2-179.2-53.9-52.9-173.6-159.40114.1M460 D461M460-K464 WeakPolarHBondContact O-CA 2.79Å; M460-K464 PolarHBondContact O-N 2.98Å; D461-K464 WeakPolarHBondContact O-CE 3.42Å; D461-K464 PolarHBondContact O-NZ 3.29Å
465C88.5Confident91.1Very high20 Ų2077.3 Ų77.314%0.13536%0.355CS..  trans-88.2169.6178.667.30000111.3T463 E469T463-C465 PolarHBondContact O-N 2.94Å; T463-C465 VanDerWaalsContact O-N 3.08Å; T463-C465 PolarHBondContact OG1-SG 3.32Å; C465-E469 HydrophobicContact CB-CB 4.06Å; C465-E469 WeakPolarHBondContact CB-OE2 3.27Å
466T92.7Very high90.6Very high78 Ų7878.4 Ų78.448%0.47936%0.364SS..  trans-69.4158.6175.764.20000111.8K468 E469 A470T466-K468 VanDerWaalsContact C-N 3.26Å; T466-K468 PolarHBondContact O-N 2.95Å; T466-E469 WeakPolarHBondContact CB-OE2 3.37Å; T466-E469 PolarHBondContact N-OE2 3.33Å; T466-E469 PolarHBondContact O-N 3.26Å; T466-E469 VanDerWaalsContact O-N 3.14Å; T466-E469 WeakPolarHBondContact OG1-CB 3.02Å; T466-E469 VanDerWaalsContact OG1-CD 3.24Å; T466-E469 WeakPolarHBondContact OG1-CG 3.43Å; T466-E469 PolarHBondContact OG1-N 3.01Å; T466-E469 PolarHBondContact OG1-OE2 2.74Å; T466-A470 PolarHBondContact O-N 3.22Å
467Q93.7Very high89.9Confident137 Ų13780.5 Ų80.564%0.6438%0.379SS*.Hα-helixtrans-56.6-40.4175.2-174.8-179.6-5.400112.2V456 M460 E469 A470 L471V456-Q467 HydrophobicContact CG1-CG 3.99Å; M460-Q467 HydrophobicContact CE-CB 4.16Å; M460-Q467 VanDerWaalsContact SD-CA 3.55Å; M460-Q467 HydrophobicContact SD-CB 3.8Å; M460-Q467 HydrophobicContact SD-CG 4.16Å; Q467-E469 PolarHBondContact O-N 3.24Å; Q467-A470 PolarHBondContact O-N 2.9Å; Q467-L471 WeakPolarHBondContact O-CB 3.39Å; Q467-L471 PolarHBondContact O-N 2.81Å
468K92.1Very high88.9Confident143 Ų14381 Ų8162%0.62238%0.377SS*.Hα-helixtrans-63.4-39.6177.6-173.1176.3-178.7175.70112.2T466 R472T466-K468 VanDerWaalsContact C-N 3.26Å; T466-K468 PolarHBondContact O-N 2.95Å; K468-R472 WeakPolarHBondContact O-CG 3.1Å; K468-R472 PolarHBondContact O-N 3.25Å; K468-R472 VanDerWaalsContact O-N 3.14Å
469E88.3Confident88.1Confident88 Ų8880.6 Ų80.641%0.41138%0.377SS..Hα-helixtrans-71.3-39.8175.9-71.4165.5143.600112.2C465 T466 Q467 R472 R473C465-E469 HydrophobicContact CB-CB 4.06Å; C465-E469 WeakPolarHBondContact CB-OE2 3.27Å; T466-E469 WeakPolarHBondContact CB-OE2 3.37Å; T466-E469 PolarHBondContact N-OE2 3.33Å; T466-E469 PolarHBondContact O-N 3.26Å; T466-E469 VanDerWaalsContact O-N 3.14Å; T466-E469 WeakPolarHBondContact OG1-CB 3.02Å; T466-E469 VanDerWaalsContact OG1-CD 3.24Å; T466-E469 WeakPolarHBondContact OG1-CG 3.43Å; T466-E469 PolarHBondContact OG1-N 3.01Å; T466-E469 PolarHBondContact OG1-OE2 2.74Å; Q467-E469 PolarHBondContact O-N 3.24Å; E469-R472 PolarHBondContact O-N 3.36Å; E469-R473 WeakPolarHBondContact O-CG 3.48Å; E469-R473 PolarHBondContact O-N 3.4Å
470A91Very high87.4Confident0 Ų082.9 Ų82.90%039%0.393CS..Hα-helixtrans-62.2-45.2175.600000111.4V456 V459 M460 T466 Q467 R472 R473 V474V456-A470 HydrophobicContact CG1-CB 3.89Å; V459-A470 HydrophobicContact CB-CB 4.07Å; V459-A470 HydrophobicContact CG1-CB 3.77Å; M460-A470 HydrophobicContact CG-CB 3.51Å; M460-A470 HydrophobicContact SD-CB 4.43Å; T466-A470 PolarHBondContact O-N 3.22Å; Q467-A470 PolarHBondContact O-N 2.9Å; A470-R472 PolarHBondContact O-N 2.95Å; A470-R473 WeakPolarHBondContact O-CB 3.29Å; A470-R473 PolarHBondContact O-N 3.17Å; A470-R473 VanDerWaalsContact O-N 3.09Å; A470-V474 WeakPolarHBondContact O-CG2 3.28Å; A470-V474 PolarHBondContact O-N 2.9Å
471L91.1Very high86.8Confident60 Ų6083.2 Ų83.231%0.31440%0.396SS..Hα-helixtrans-59.2-45.8175.6-171.666.1000111.8E452 V456 Q467 R473 V474 H475E452-L471 HydrophobicContact CG-CD1 4.17Å; E452-L471 VanDerWaalsContact OE1-CD1 3.25Å; E452-L471 WeakPolarHBondContact OE1-CD1 3.46Å; V456-L471 HydrophobicContact CG2-CB 4.35Å; V456-L471 HydrophobicContact CG2-CD1 3.84Å; Q467-L471 WeakPolarHBondContact O-CB 3.39Å; Q467-L471 PolarHBondContact O-N 2.81Å; L471-R473 VanDerWaalsContact C-N 3.25Å; L471-R473 PolarHBondContact O-N 2.97Å; L471-V474 PolarHBondContact O-N 2.75Å; L471-V474 VanDerWaalsContact O-N 3.1Å; L471-H475 VanDerWaalsContact CD1-CE1 3.47Å; L471-H475 WeakPolarHBondContact CD1-CE1 3.21Å; L471-H475 WeakPolarHBondContact O-CB 3.4Å; L471-H475 PolarHBondContact O-N 3.01Å
472R87.3Confident86.2Confident142 Ų14283.5 Ų83.554%0.53639%0.394SS..Hα-helixtrans-57.2-37.7174-76.3174.6174.9-174.9-4.4112.8F391 K468 E469 A470 A476F391-R472 HydrophobicContact CZ-CB 4.35Å; K468-R472 WeakPolarHBondContact O-CG 3.1Å; K468-R472 PolarHBondContact O-N 3.25Å; K468-R472 VanDerWaalsContact O-N 3.14Å; E469-R472 PolarHBondContact O-N 3.36Å; A470-R472 PolarHBondContact O-N 2.95Å; R472-A476 WeakPolarHBondContact O-CB 3.43Å; R472-A476 PolarHBondContact O-N 3.49Å
473R87.2Confident86.1Confident96 Ų9679.3 Ų79.336%0.36238%0.384SS..Hα-helixtrans-70.9-36.6176.8-70.9173.5178.4-163-2.7112.3I326 F391 V459 T463 E469 A470 L471 A476I326-R473 HydrophobicContact CD1-CB 4.23Å; F391-R473 HydrophobicContact CE2-CG 4.26Å; F391-R473 HydrophobicContact CZ-CG 4.34Å; V459-R473 HydrophobicContact CG1-CB 4.48Å; T463-R473 PolarHBondContact OG1-NH1 3.13Å; E469-R473 WeakPolarHBondContact O-CG 3.48Å; E469-R473 PolarHBondContact O-N 3.4Å; A470-R473 WeakPolarHBondContact O-CB 3.29Å; A470-R473 PolarHBondContact O-N 3.17Å; A470-R473 VanDerWaalsContact O-N 3.09Å; L471-R473 VanDerWaalsContact C-N 3.25Å; L471-R473 PolarHBondContact O-N 2.97Å; R473-A476 WeakPolarHBondContact O-CB 3.05Å; R473-A476 PolarHBondContact O-N 2.83Å
474V88.1Confident86.3Confident29 Ų2977.3 Ų77.318%0.17637%0.371CS..Hα-helixtrans-66.9-42.4174.8174.60000110.8I326 E452 A455 V456 V459 A470 L471 A476I326-V474 HydrophobicContact CG2-CB 4.24Å; I326-V474 HydrophobicContact CG2-CG2 3.67Å; E452-V474 HydrophobicContact CG-CG1 4.14Å; A455-V474 HydrophobicContact CB-CG1 4.25Å; A455-V474 HydrophobicContact CB-CG2 3.85Å; V456-V474 HydrophobicContact CG2-CB 4.47Å; V456-V474 HydrophobicContact CG2-CG2 3.93Å; V459-V474 HydrophobicContact CG2-CG2 4.39Å; A470-V474 WeakPolarHBondContact O-CG2 3.28Å; A470-V474 PolarHBondContact O-N 2.9Å; L471-V474 PolarHBondContact O-N 2.75Å; L471-V474 VanDerWaalsContact O-N 3.1Å; V474-A476 VanDerWaalsContact C-N 3.26Å; V474-A476 PolarHBondContact O-N 3.42Å
475H86.6Confident86.3Confident104 Ų10469.2 Ų69.248%0.48134%0.337SS..THydrogen-bonded Turntrans-81.62.5177.9-63.5174.1000114.3E452 L471 S477E452-H475 IonicContact OE1-CE1 2.65Å; E452-H475 IonicContact OE1-NE2 3.09Å; E452-H475 PolarHBondContact OE1-NE2 3.25Å; E452-H475 IonicContact OE2-CD2 3.36Å; E452-H475 IonicContact OE2-CE1 3.25Å; E452-H475 IonicContact OE2-NE2 2.76Å; E452-H475 PolarHBondContact OE2-NE2 2.79Å; L471-H475 VanDerWaalsContact CD1-CE1 3.47Å; L471-H475 WeakPolarHBondContact CD1-CE1 3.21Å; L471-H475 WeakPolarHBondContact O-CB 3.4Å; L471-H475 PolarHBondContact O-N 3.01Å; H475-S477 PolarHBondContact O-N 2.98Å
476A81.6Confident86.4Confident28 Ų2870.3 Ų70.323%0.23135%0.351CS..THydrogen-bonded Turntrans-70.2-22.2-178.500000112.9R397 R472 R473 V474R397-A476 PolarHBondContact NH1-O 3Å; R397-A476 PolarHBondContact NH2-O 2.94Å; R472-A476 WeakPolarHBondContact O-CB 3.43Å; R472-A476 PolarHBondContact O-N 3.49Å; R473-A476 WeakPolarHBondContact O-CB 3.05Å; R473-A476 PolarHBondContact O-N 2.83Å; V474-A476 VanDerWaalsContact C-N 3.26Å; V474-A476 PolarHBondContact O-N 3.42Å
477S79.4Confident86.3Confident54 Ų5468.5 Ų68.538%0.37834%0.341SS..  trans-68.8128.7175176.30000110.2H475 F479H475-S477 PolarHBondContact O-N 2.98Å; S477-F479 VanDerWaalsContact C-N 3.34Å; S477-F479 PolarHBondContact OG-N 3.46Å; S477-F479 PolarHBondContact OG-O 2.97Å
478R75.1Confident86.4Confident127 Ų12762 Ų6248%0.47931%0.31SS..SBendtrans-78.4-24174.2-71.1174.5162.2-106.7-0.5112.6E394 Q398 E435 S480E394-R478 IonicContact OE1-CZ 3.18Å; E394-R478 IonicContact OE1-NE 3.47Å; E394-R478 PolarHBondContact OE1-NE 3.03Å; E394-R478 IonicContact OE1-NH2 3.27Å; E394-R478 PolarHBondContact OE1-NH2 3.4Å; Q398-R478 VanDerWaalsContact NE2-CZ 3.34Å; E435-R478 HydrophobicContact CG-CB 4.47Å; E435-R478 WeakPolarHBondContact OE1-CD 3.32Å; R478-S480 PolarHBondContact O-N 3.45Å
479F76.9Confident86.4Confident50 Ų5055.9 Ų55.922%0.21929%0.285CS..SBendtrans-77.7120175.5-137-108.3000109L434 E435 S477 D483 N484L434-F479 HydrophobicContact CB-CD1 3.8Å; L434-F479 HydrophobicContact CB-CD2 4.35Å; L434-F479 HydrophobicContact CB-CE1 3.45Å; L434-F479 VanDerWaalsContact CB-CE1 3.45Å; L434-F479 HydrophobicContact CB-CE2 4.07Å; L434-F479 HydrophobicContact CB-CG 4.23Å; L434-F479 HydrophobicContact CB-CZ 3.62Å; L434-F479 HydrophobicContact CD1-CD1 3.88Å; L434-F479 HydrophobicContact CD1-CE1 3.39Å; L434-F479 HydrophobicContact CD1-CZ 4.22Å; L434-F479 HydrophobicContact CG-CD1 4.49Å; L434-F479 HydrophobicContact CG-CE1 4.05Å; E435-F479 HydrophobicContact CB-CD2 4.45Å; S477-F479 VanDerWaalsContact C-N 3.34Å; S477-F479 PolarHBondContact OG-N 3.46Å; S477-F479 PolarHBondContact OG-O 2.97Å; F479-D483 HydrophobicContact CD1-CB 3.42Å; F479-D483 VanDerWaalsContact CD1-CB 3.42Å; F479-D483 HydrophobicContact CD2-CB 4.38Å; F479-D483 HydrophobicContact CE1-CB 3.15Å; F479-D483 HydrophobicContact CE2-CB 4.15Å; F479-D483 HydrophobicContact CG-CB 4.05Å; F479-D483 HydrophobicContact CZ-CB 3.55Å; F479-N484 HydrophobicContact CD1-CB 4.47Å
480S80.4Confident86.7Confident47 Ų4751.7 Ų51.733%0.32927%0.265SS..  trans-68.7160.7-179.773.70000110.4R478 E482 D483 N484R478-S480 PolarHBondContact O-N 3.45Å; S480-E482 PolarHBondContact O-N 2.56Å; S480-E482 PolarHBondContact OG-N 2.79Å; S480-D483 WeakPolarHBondContact CB-OD2 3.34Å; S480-D483 PolarHBondContact N-OD2 3.08Å; S480-D483 VanDerWaalsContact N-OD2 3.15Å; S480-D483 PolarHBondContact O-N 2.9Å; S480-D483 PolarHBondContact OG-N 2.76Å; S480-D483 PolarHBondContact OG-OD2 2.79Å; S480-N484 PolarHBondContact O-N 3.04Å; S480-N484 VanDerWaalsContact O-N 3.09Å; S480-N484 PolarHBondContact O-ND2 3.48Å
481N80.8Confident86.9Confident68 Ų6851.7 Ų51.736%0.36427%0.265SS..Hα-helixtrans-59.1-36.4171-78.5-27.8000110.7F200 N484 F485F200-N481 HydrophobicContact CE1-CB 3.94Å; F200-N481 HydrophobicContact CZ-CB 3.87Å; N481-N484 WeakPolarHBondContact O-CB 3.42Å; N481-N484 PolarHBondContact O-N 3.36Å; N481-F485 WeakPolarHBondContact O-CD2 3.19Å; N481-F485 PolarHBondContact O-N 3.07Å
482E82.6Confident87.2Confident98 Ų9848.9 Ų48.946%0.45825%0.25SS..Hα-helixtrans-59.7-49.4177.4-174.2174.9-173.300111.5Y195 F200 S480 N484 F485 G486Y195-E482 PolarHBondContact OH-OE2 3.14Å; F200-E482 HydrophobicContact CE2-CB 3.95Å; F200-E482 HydrophobicContact CE2-CG 4.34Å; F200-E482 HydrophobicContact CZ-CB 4.18Å; S480-E482 PolarHBondContact O-N 2.56Å; S480-E482 PolarHBondContact OG-N 2.79Å; E482-N484 VanDerWaalsContact C-N 3.28Å; E482-N484 PolarHBondContact O-N 3.42Å; E482-F485 PolarHBondContact O-N 2.81Å; E482-G486 PolarHBondContact O-N 3.4Å
483D87.8Confident87.5Confident74 Ų7442.1 Ų42.140%0.39623%0.225SC..Hα-helixtrans-60.9-40.4177.7-57.8-51.5000111.2F479 S480 F485 G486 C487F479-D483 HydrophobicContact CD1-CB 3.42Å; F479-D483 VanDerWaalsContact CD1-CB 3.42Å; F479-D483 HydrophobicContact CD2-CB 4.38Å; F479-D483 HydrophobicContact CE1-CB 3.15Å; F479-D483 HydrophobicContact CE2-CB 4.15Å; F479-D483 HydrophobicContact CG-CB 4.05Å; F479-D483 HydrophobicContact CZ-CB 3.55Å; S480-D483 WeakPolarHBondContact CB-OD2 3.34Å; S480-D483 PolarHBondContact N-OD2 3.08Å; S480-D483 VanDerWaalsContact N-OD2 3.15Å; S480-D483 PolarHBondContact O-N 2.9Å; S480-D483 PolarHBondContact OG-N 2.76Å; S480-D483 PolarHBondContact OG-OD2 2.79Å; D483-F485 PolarHBondContact O-N 2.78Å; D483-G486 WeakPolarHBondContact O-CA 3.18Å; D483-G486 PolarHBondContact O-N 2.94Å; D483-G486 VanDerWaalsContact O-N 3.09Å; D483-C487 PolarHBondContact O-N 3.37Å
484N90.5Very high87.9Confident9 Ų937.9 Ų37.95%0.04821%0.21CC..Hα-helixtrans-59.1-47.5176.1-80.9-67.4000111.8L434 L447 F479 S480 N481 E482 G486 C487 A488L434-N484 WeakPolarHBondContact CD1-OD1 3.43Å; L447-N484 HydrophobicContact CD1-CB 3.87Å; L447-N484 HydrophobicContact CD2-CB 3.95Å; F479-N484 HydrophobicContact CD1-CB 4.47Å; S480-N484 PolarHBondContact O-N 3.04Å; S480-N484 VanDerWaalsContact O-N 3.09Å; S480-N484 PolarHBondContact O-ND2 3.48Å; N481-N484 WeakPolarHBondContact O-CB 3.42Å; N481-N484 PolarHBondContact O-N 3.36Å; E482-N484 VanDerWaalsContact C-N 3.28Å; E482-N484 PolarHBondContact O-N 3.42Å; N484-G486 VanDerWaalsContact C-N 3.27Å; N484-G486 PolarHBondContact O-N 3.35Å; N484-C487 PolarHBondContact O-N 3.25Å; N484-A488 WeakPolarHBondContact O-CB 3.33Å; N484-A488 PolarHBondContact O-N 3.23Å; N484-A488 VanDerWaalsContact O-N 3.09Å
485F91.4Very high88.1Confident2 Ų237.6 Ų37.61%0.00921%0.207CC..Hα-helixtrans-65.5-32.1173.8-79.7-78.8000112.1L199 F200 G201 L202 K307 L447 Y449 N481 E482 D483 C487 A488 V491L199-F485 HydrophobicContact CD2-CZ 4.36Å; F200-F485 HydrophobicContact CE1-CE2 4.34Å; F200-F485 HydrophobicContact CZ-CD2 4.46Å; G201-F485 VanDerWaalsContact CA-CG 3.45Å; L202-F485 HydrophobicContact CD2-CD1 4.16Å; L202-F485 HydrophobicContact CD2-CE1 4.27Å; L202-F485 HydrophobicContact CG-CD1 4.21Å; L202-F485 HydrophobicContact CG-CE1 3.9Å; K307-F485 PolarHBondContact NZ-O 3.2Å; L447-F485 HydrophobicContact CD2-CD1 3.94Å; L447-F485 HydrophobicContact CD2-CD2 4.23Å; L447-F485 HydrophobicContact CD2-CE1 4.15Å; L447-F485 HydrophobicContact CD2-CE2 4.38Å; L447-F485 HydrophobicContact CD2-CG 3.96Å; L447-F485 HydrophobicContact CD2-CZ 4.34Å; Y449-F485 HydrophobicContact CD1-CZ 4.31Å; Y449-F485 AromaticContact CD2-CE2 3.81Å; Y449-F485 HydrophobicContact CD2-CE2 3.81Å; Y449-F485 AromaticContact CD2-CZ 3.83Å; Y449-F485 HydrophobicContact CD2-CZ 3.83Å; Y449-F485 HydrophobicContact CE2-CE2 4.04Å; Y449-F485 HydrophobicContact CE2-CZ 4.24Å; Y449-F485 HydrophobicContact CG-CE2 4.32Å; Y449-F485 AromaticContact CG-CZ 3.86Å; Y449-F485 HydrophobicContact CG-CZ 3.86Å; N481-F485 WeakPolarHBondContact O-CD2 3.19Å; N481-F485 PolarHBondContact O-N 3.07Å; E482-F485 PolarHBondContact O-N 2.81Å; D483-F485 PolarHBondContact O-N 2.78Å; F485-C487 PolarHBondContact O-N 2.64Å; F485-A488 PolarHBondContact O-N 2.88Å; F485-V491 HydrophobicContact CD1-CG2 3.97Å; F485-V491 HydrophobicContact CE1-CG1 3.8Å; F485-V491 HydrophobicContact CE1-CG2 4.05Å; F485-V491 HydrophobicContact CZ-CG1 4.49Å
486G90.2Very high88.4Confident42 Ų4235 Ų3543%0.43319%0.194SC..Hα-helixtrans-55.6-45.6174.200000113K307 E482 D483 N484K307-G486 VanDerWaalsContact NZ-C 3.34Å; K307-G486 PolarHBondContact NZ-O 3.19Å; E482-G486 PolarHBondContact O-N 3.4Å; D483-G486 WeakPolarHBondContact O-CA 3.18Å; D483-G486 PolarHBondContact O-N 2.94Å; D483-G486 VanDerWaalsContact O-N 3.09Å; N484-G486 VanDerWaalsContact C-N 3.27Å; N484-G486 PolarHBondContact O-N 3.35Å
487C91.4Very high88.8Confident40 Ų4038.6 Ų38.627%0.2721%0.205SC..Hα-helixtrans-90.4-19.1-179.3-63.10000114.6L434 D483 N484 F485 N489L434-C487 HydrophobicContact CD1-CB 3.73Å; L434-C487 HydrophobicContact CD2-CB 3.81Å; L434-C487 HydrophobicContact CG-CB 4.43Å; D483-C487 PolarHBondContact O-N 3.37Å; N484-C487 PolarHBondContact O-N 3.25Å; F485-C487 PolarHBondContact O-N 2.64Å; C487-N489 PolarHBondContact O-N 3.05Å
488A94.1Very high89.3Confident0 Ų039.3 Ų39.30%021%0.209CC..  trans-68131.8-173.900000113.3L447 N484 F485 V491L447-A488 HydrophobicContact CB-CB 3.65Å; L447-A488 HydrophobicContact CD2-CB 4.27Å; N484-A488 WeakPolarHBondContact O-CB 3.33Å; N484-A488 PolarHBondContact O-N 3.23Å; N484-A488 VanDerWaalsContact O-N 3.09Å; F485-A488 PolarHBondContact O-N 2.88Å; A488-V491 HydrophobicContact CB-CG2 3.98Å
489N93.7Very high90Very high15 Ų1539.4 Ų39.48%0.0822%0.215CC..SBendtrans-86.6-36.3169.8-61.6109.7000112.1L305 F306 K307 I308 P309 E444 V445 C487L305-N489 HydrophobicContact CD1-CB 4.13Å; F306-N489 PolarHBondContact N-O 3.4Å; K307-N489 PolarHBondContact N-O 3.19Å; K307-N489 WeakPolarHBondContact O-CB 3.44Å; K307-N489 PolarHBondContact O-ND2 3.2Å; I308-N489 PolarHBondContact O-ND2 3.31Å; P309-N489 WeakPolarHBondContact CA-ND2 3.3Å; E444-N489 HydrophobicContact CG-CB 3.44Å; E444-N489 VanDerWaalsContact CG-CB 3.44Å; V445-N489 PolarHBondContact N-OD1 3.26Å; V445-N489 WeakPolarHBondContact O-CB 3.48Å; V445-N489 PolarHBondContact O-N 3.26Å; C487-N489 PolarHBondContact O-N 3.05Å
490V94Very high90.7Very high0 Ų039.3 Ų39.30%022%0.218CC..EExtended strand (participates in β ladder)trans-132.4139.3177.1-176.40000108.4L305 E444 V445 W446 L447 F492 F508L305-V490 HydrophobicContact CD1-CG2 4.11Å; E444-V490 WeakPolarHBondContact OE1-CG2 3.47Å; V445-V490 PolarHBondContact O-N 2.86Å; W446-V490 CarbonylContact C-O 3.54Å; W446-V490 WeakPolarHBondContact CA-O 3.32Å; W446-V490 HydrophobicContact CD2-CB 4.44Å; W446-V490 HydrophobicContact CG-CB 4.08Å; L447-V490 PolarHBondContact N-O 3.23Å; V490-F492 HydrophobicContact CB-CE2 4.24Å; V490-F492 HydrophobicContact CG1-CD2 4.28Å; V490-F492 HydrophobicContact CG1-CE1 4.25Å; V490-F492 HydrophobicContact CG1-CE2 3.52Å; V490-F492 HydrophobicContact CG1-CZ 3.51Å; V490-F508 HydrophobicContact CG1-CD2 4.26Å; V490-F508 HydrophobicContact CG2-CD2 3.78Å; V490-F508 HydrophobicContact CG2-CE2 3.52Å
491V95.4Very high91.2Very high1 Ų137.3 Ų37.31%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-118.8135.2175.9-175.70000109.8L202 L302 G303 L447 F485 A488L202-V491 HydrophobicContact CD1-CB 4.49Å; L202-V491 HydrophobicContact CD2-CB 4.35Å; L202-V491 HydrophobicContact CD2-CG2 3.83Å; L302-V491 CarbonylContact C-O 3.47Å; L302-V491 WeakPolarHBondContact CA-O 2.84Å; L302-V491 HydrophobicContact CD2-CB 4.17Å; L302-V491 HydrophobicContact CD2-CG1 3.85Å; L302-V491 WeakPolarHBondContact CD2-O 3.47Å; G303-V491 PolarHBondContact N-O 3.37Å; L447-V491 HydrophobicContact CB-CG2 4.34Å; L447-V491 HydrophobicContact CD2-CG1 4.41Å; L447-V491 HydrophobicContact CD2-CG2 4.37Å; L447-V491 CarbonylContact O-C 3.5Å; L447-V491 WeakPolarHBondContact O-CA 3.34Å; F485-V491 HydrophobicContact CD1-CG2 3.97Å; F485-V491 HydrophobicContact CE1-CG1 3.8Å; F485-V491 HydrophobicContact CE1-CG2 4.05Å; F485-V491 HydrophobicContact CZ-CG1 4.49Å; A488-V491 HydrophobicContact CB-CG2 3.98Å
492F95.8Very high91.7Very high0 Ų040 Ų400%021%0.209CC..EExtended strand (participates in β ladder)trans-115.4147.3170.4-59.5-82.9000109.6I333 W446 L447 T448 Y449 V490 Q504 V505I333-F492 HydrophobicContact CD1-CB 3.45Å; I333-F492 VanDerWaalsContact CD1-CB 3.45Å; I333-F492 HydrophobicContact CD1-CD1 4.35Å; I333-F492 HydrophobicContact CD1-CD2 4.03Å; I333-F492 HydrophobicContact CD1-CG 3.68Å; W446-F492 HydrophobicContact CB-CE2 4.09Å; W446-F492 AromaticContact CD2-CE2 3.58Å; W446-F492 HydrophobicContact CD2-CE2 3.58Å; W446-F492 HydrophobicContact CD2-CZ 4.08Å; W446-F492 HydrophobicContact CE3-CD2 4.3Å; W446-F492 AromaticContact CE3-CE2 3.21Å; W446-F492 HydrophobicContact CE3-CE2 3.21Å; W446-F492 AromaticContact CE3-CZ 3.56Å; W446-F492 HydrophobicContact CE3-CZ 3.56Å; W446-F492 AromaticContact CG-CE2 3.98Å; W446-F492 HydrophobicContact CG-CE2 3.98Å; W446-F492 HydrophobicContact CH2-CZ 4.17Å; W446-F492 AromaticContact CZ3-CE2 3.76Å; W446-F492 HydrophobicContact CZ3-CE2 3.76Å; W446-F492 AromaticContact CZ3-CZ 3.57Å; W446-F492 HydrophobicContact CZ3-CZ 3.57Å; L447-F492 PolarHBondContact O-N 3.13Å; T448-F492 WeakPolarHBondContact CA-O 3.45Å; T448-F492 HydrophobicContact CG2-CB 4.33Å; Y449-F492 PolarHBondContact N-O 2.95Å; V490-F492 HydrophobicContact CB-CE2 4.24Å; V490-F492 HydrophobicContact CG1-CD2 4.28Å; V490-F492 HydrophobicContact CG1-CE1 4.25Å; V490-F492 HydrophobicContact CG1-CE2 3.52Å; V490-F492 HydrophobicContact CG1-CZ 3.51Å; F492-Q504 HydrophobicContact CD1-CB 3.83Å; F492-Q504 HydrophobicContact CE1-CB 4.29Å; F492-V505 HydrophobicContact CD1-CG2 4.13Å; F492-V505 HydrophobicContact CE1-CB 4.36Å; F492-V505 HydrophobicContact CE1-CG2 3.94Å
493C95.2Very high92.1Very high0 Ų038 Ų380%021%0.209CC..EExtended strand (participates in β ladder)trans-124.6121.2170.5-169.20000110.5L199 L302 Y449 L495 W496 Q504L199-C493 HydrophobicContact CD2-CB 4.41Å; L302-C493 HydrophobicContact CD1-CB 3.5Å; L302-C493 HydrophobicContact CD2-CB 4.1Å; L302-C493 HydrophobicContact CG-CB 4.46Å; Y449-C493 VanDerWaalsContact O-CA 3.25Å; Y449-C493 WeakPolarHBondContact O-CA 3.41Å; Y449-C493 PolarHBondContact O-SG 3.41Å; C493-L495 VanDerWaalsContact C-N 3.35Å; C493-L495 VanDerWaalsContact SG-CB 3.54Å; C493-W496 HydrophobicContact CB-CZ3 3.97Å; C493-Q504 PolarHBondContact O-NE2 3.46Å; C493-Q504 PolarHBondContact O-OE1 3.17Å
494S94.6Very high92.3Very high7 Ų735.2 Ų35.25%0.04919%0.194CC..  trans-9822178.476.80000113.3S328 Y449 V450 R458 W496 T501S328-S494 VanDerWaalsContact C-OG 3.3Å; S328-S494 WeakPolarHBondContact O-CB 3.48Å; S328-S494 PolarHBondContact O-OG 3.01Å; Y449-S494 PolarHBondContact O-N 3.02Å; V450-S494 WeakPolarHBondContact CG1-OG 3.41Å; R458-S494 PolarHBondContact NH1-O 3.3Å; R458-S494 PolarHBondContact NH1-OG 3.31Å; R458-S494 PolarHBondContact NH2-O 3.3Å; S494-W496 VanDerWaalsContact C-N 3.26Å; S494-W496 PolarHBondContact O-N 2.91Å; S494-T501 WeakPolarHBondContact CA-OG1 3.19Å
495L92.7Very high92.3Very high24 Ų2434.8 Ų34.813%0.12619%0.192CC..SBendtrans-58.7-41.5-178.6173.260.3000111.5F198 D287 P451 E454 R458 C493F198-L495 HydrophobicContact CE2-CD2 3.63Å; F198-L495 HydrophobicContact CZ-CD2 3.62Å; D287-L495 HydrophobicContact CB-CD2 3.88Å; P451-L495 HydrophobicContact CG-CD1 4.19Å; P451-L495 HydrophobicContact CG-CD2 4.13Å; E454-L495 HydrophobicContact CB-CD1 4.05Å; E454-L495 HydrophobicContact CG-CD1 3.78Å; R458-L495 PolarHBondContact NH2-O 3.49Å; C493-L495 VanDerWaalsContact C-N 3.35Å; C493-L495 VanDerWaalsContact SG-CB 3.54Å
496W92.1Very high92.1Very high50 Ų5037.7 Ų37.719%0.18921%0.207CC..SBendtrans-88-178.2-178.4-52.8-78000112.8F198 V286 V299 L302 C493 S494 T500F198-W496 AromaticContact CE1-CH2 3.71Å; F198-W496 HydrophobicContact CE1-CH2 3.71Å; F198-W496 AromaticContact CE1-CZ2 3.82Å; F198-W496 HydrophobicContact CE1-CZ2 3.82Å; F198-W496 AromaticContact CZ-CH2 3.7Å; F198-W496 HydrophobicContact CZ-CH2 3.7Å; F198-W496 AromaticContact CZ-CZ2 3.89Å; F198-W496 HydrophobicContact CZ-CZ2 3.89Å; V286-W496 HydrophobicContact CG1-CZ2 3.81Å; V299-W496 HydrophobicContact CG1-CH2 3.87Å; V299-W496 HydrophobicContact CG1-CZ3 4.36Å; V299-W496 HydrophobicContact CG2-CH2 3.81Å; V299-W496 HydrophobicContact CG2-CZ2 4.27Å; L302-W496 HydrophobicContact CD1-CH2 4.12Å; L302-W496 HydrophobicContact CD1-CZ3 3.78Å; C493-W496 HydrophobicContact CB-CZ3 3.97Å; S494-W496 VanDerWaalsContact C-N 3.26Å; S494-W496 PolarHBondContact O-N 2.91Å; W496-T500 HydrophobicContact CB-CG2 3.91Å; W496-T500 HydrophobicContact CD2-CG2 4.12Å; W496-T500 HydrophobicContact CE3-CG2 3.76Å; W496-T500 HydrophobicContact CG-CG2 4.21Å
497E90.1Very high91.6Very high102 Ų10237 Ų3748%0.47720%0.195SC..  trans-48.3147174.349-65.3151.200113.2E499 T500 T501E497-E499 PolarHBondContact O-N 2.89Å; E497-T500 WeakPolarHBondContact O-CB 3.48Å; E497-T500 PolarHBondContact O-N 3Å; E497-T500 PolarHBondContact OE1-OG1 3.22Å; E497-T501 PolarHBondContact O-N 3.03Å
498P90.2Very high90.9Very high70 Ų7035.1 Ų35.146%0.45518%0.182SC..Hα-helixtrans-55-30.6-173-27.335.8000114.4Y336 T501 R502Y336-P498 WeakPolarHBondContact OH-CB 3.32Å; Y336-P498 PolarHBondContact OH-O 3.04Å; P498-T501 PolarHBondContact O-N 3.47Å; P498-R502 WeakPolarHBondContact O-CB 3.35Å; P498-R502 PolarHBondContact O-N 3.14Å
499E90.8Very high89.9Confident129 Ų12938.2 Ų38.260%0.60320%0.196SC*.Hα-helixtrans-66.1-41.5177.6-65.368.5-148.900111.7E497 T501 R502 A503E497-E499 PolarHBondContact O-N 2.89Å; E499-T501 VanDerWaalsContact C-N 3.34Å; E499-R502 WeakPolarHBondContact O-CB 3.49Å; E499-R502 PolarHBondContact O-N 3.1Å; E499-A503 WeakPolarHBondContact O-CB 3.37Å; E499-A503 PolarHBondContact O-N 3.37Å
500T90.7Very high88.2Confident47 Ų4741.8 Ų41.829%0.28822%0.222SC..Hα-helixtrans-65.2-40175.8-60.80000110.7W496 E497 A503 Q504W496-T500 HydrophobicContact CB-CG2 3.91Å; W496-T500 HydrophobicContact CD2-CG2 4.12Å; W496-T500 HydrophobicContact CE3-CG2 3.76Å; W496-T500 HydrophobicContact CG-CG2 4.21Å; E497-T500 WeakPolarHBondContact O-CB 3.48Å; E497-T500 PolarHBondContact O-N 3Å; E497-T500 PolarHBondContact OE1-OG1 3.22Å; T500-A503 PolarHBondContact O-N 2.79Å; T500-Q504 WeakPolarHBondContact O-CG 3.49Å; T500-Q504 PolarHBondContact O-N 3.13Å
501T91.7Very high86.5Confident5 Ų544.6 Ų44.63%0.03125%0.246CC..Hα-helixtrans-62.9-44.5173-54.50000110.9I333 Y336 S494 E497 P498 E499 A503 Q504 V505I333-T501 HydrophobicContact CD1-CG2 4.39Å; I333-T501 HydrophobicContact CG1-CG2 4.01Å; Y336-T501 HydrophobicContact CE2-CG2 4.42Å; S494-T501 WeakPolarHBondContact CA-OG1 3.19Å; E497-T501 PolarHBondContact O-N 3.03Å; P498-T501 PolarHBondContact O-N 3.47Å; E499-T501 VanDerWaalsContact C-N 3.34Å; T501-A503 PolarHBondContact O-N 3.28Å; T501-Q504 WeakPolarHBondContact O-CB 3.46Å; T501-Q504 PolarHBondContact O-N 2.94Å; T501-V505 PolarHBondContact O-N 3.44Å
502R91.8Very high84.9Confident125 Ų12546.7 Ų46.747%0.47226%0.255SS..Hα-helixtrans-61.8-42.2178.3-178.8179.4173171.11.9111.9Y336 P498 E499 Q504 V505 D506Y336-R502 HydrophobicContact CD2-CB 4.24Å; Y336-R502 HydrophobicContact CE1-CB 4.41Å; Y336-R502 HydrophobicContact CE2-CB 3.85Å; P498-R502 WeakPolarHBondContact O-CB 3.35Å; P498-R502 PolarHBondContact O-N 3.14Å; E499-R502 WeakPolarHBondContact O-CB 3.49Å; E499-R502 PolarHBondContact O-N 3.1Å; R502-Q504 VanDerWaalsContact C-N 3.27Å; R502-Q504 PolarHBondContact O-N 2.9Å; R502-V505 WeakPolarHBondContact O-CA 3.44Å; R502-V505 WeakPolarHBondContact O-CB 3.44Å; R502-V505 PolarHBondContact O-N 3.15Å; R502-D506 IonicContact NE-OD2 3.95Å; R502-D506 PolarHBondContact O-N 2.75Å
503A90.5Very high82.9Confident56 Ų5653.6 Ų53.646%0.46328%0.281SS..Hα-helixtrans-60.1-36177.700000112.6E499 T500 T501 D506 C507E499-A503 WeakPolarHBondContact O-CB 3.37Å; E499-A503 PolarHBondContact O-N 3.37Å; T500-A503 PolarHBondContact O-N 2.79Å; T501-A503 PolarHBondContact O-N 3.28Å; A503-D506 PolarHBondContact O-N 3.47Å; A503-C507 WeakPolarHBondContact O-CB 3.38Å; A503-C507 PolarHBondContact O-N 3.07Å
504Q92Very high81.2Confident16 Ų1654.7 Ų54.78%0.07529%0.287CS..Hα-helixtrans-63.7-43.6172.9-63.9165.931.900111.2L302 G303 F492 C493 T500 T501 R502 C507 F508L302-Q504 HydrophobicContact CB-CG 3.99Å; G303-Q504 VanDerWaalsContact CA-O 3.32Å; G303-Q504 WeakPolarHBondContact CA-O 3.34Å; F492-Q504 HydrophobicContact CD1-CB 3.83Å; F492-Q504 HydrophobicContact CE1-CB 4.29Å; C493-Q504 PolarHBondContact O-NE2 3.46Å; C493-Q504 PolarHBondContact O-OE1 3.17Å; T500-Q504 WeakPolarHBondContact O-CG 3.49Å; T500-Q504 PolarHBondContact O-N 3.13Å; T501-Q504 WeakPolarHBondContact O-CB 3.46Å; T501-Q504 PolarHBondContact O-N 2.94Å; R502-Q504 VanDerWaalsContact C-N 3.27Å; R502-Q504 PolarHBondContact O-N 2.9Å; Q504-C507 WeakPolarHBondContact O-CB 3.38Å; Q504-C507 PolarHBondContact O-N 2.69Å; Q504-F508 PolarHBondContact O-N 2.92Å
505V89.4Confident79.4Confident0 Ų055.9 Ų55.90%029%0.291CS..Hα-helixtrans-60.8-52.4174.8-1700000109.2I333 Y336 L337 W340 F492 T501 R502 C507 F508 K509I333-V505 HydrophobicContact CG1-CG2 4.33Å; I333-V505 HydrophobicContact CG2-CG2 4.29Å; Y336-V505 HydrophobicContact CD2-CG2 4.44Å; L337-V505 HydrophobicContact CD2-CG1 3.85Å; L337-V505 HydrophobicContact CG-CG1 4.4Å; W340-V505 HydrophobicContact CE3-CG1 4.44Å; W340-V505 HydrophobicContact CH2-CB 4.02Å; W340-V505 HydrophobicContact CH2-CG1 3.26Å; W340-V505 VanDerWaalsContact CH2-O 3.26Å; W340-V505 WeakPolarHBondContact CH2-O 3.25Å; W340-V505 HydrophobicContact CZ2-CB 4.36Å; W340-V505 HydrophobicContact CZ2-CG1 3.8Å; W340-V505 HydrophobicContact CZ3-CG1 3.6Å; F492-V505 HydrophobicContact CD1-CG2 4.13Å; F492-V505 HydrophobicContact CE1-CB 4.36Å; F492-V505 HydrophobicContact CE1-CG2 3.94Å; T501-V505 PolarHBondContact O-N 3.44Å; R502-V505 WeakPolarHBondContact O-CA 3.44Å; R502-V505 WeakPolarHBondContact O-CB 3.44Å; R502-V505 PolarHBondContact O-N 3.15Å; V505-C507 PolarHBondContact O-N 3.06Å; V505-F508 WeakPolarHBondContact O-CB 3.27Å; V505-F508 PolarHBondContact O-N 3.3Å; V505-K509 PolarHBondContact O-N 2.88Å
506D87.1Confident77.6Confident63 Ų6357.4 Ų57.434%0.33730%0.3SS..Hα-helixtrans-54.4-36.6178.9-76.7-45.7000112.4W340 R502 A503 F508 K509 S510W340-D506 WeakPolarHBondContact CZ2-OD1 3.17Å; R502-D506 IonicContact NE-OD2 3.95Å; R502-D506 PolarHBondContact O-N 2.75Å; A503-D506 PolarHBondContact O-N 3.47Å; D506-F508 VanDerWaalsContact C-N 3.33Å; D506-F508 PolarHBondContact O-N 3.06Å; D506-K509 WeakPolarHBondContact O-CB 3.35Å; D506-K509 PolarHBondContact O-N 3.06Å; D506-S510 PolarHBondContact O-N 3.42Å; D506-S510 VanDerWaalsContact O-N 3.16Å
507C81.2Confident75.6Confident26 Ų2659 Ų5918%0.17632%0.323CS..Hα-helixtrans-58.2-44.2175.2-171.80000111.7A503 Q504 V505 K509 S510 A511A503-C507 WeakPolarHBondContact O-CB 3.38Å; A503-C507 PolarHBondContact O-N 3.07Å; Q504-C507 WeakPolarHBondContact O-CB 3.38Å; Q504-C507 PolarHBondContact O-N 2.69Å; V505-C507 PolarHBondContact O-N 3.06Å; C507-K509 VanDerWaalsContact C-N 3.34Å; C507-K509 PolarHBondContact O-N 3.5Å; C507-S510 PolarHBondContact O-N 2.87Å; C507-S510 PolarHBondContact O-OG 3.05Å; C507-A511 WeakPolarHBondContact O-CB 3.37Å; C507-A511 PolarHBondContact O-N 2.9Å
508F76.3Confident73.4Confident1 Ų159.8 Ų59.80%0.00434%0.335CS..Hα-helixtrans-61.3-43.9177.5-173.9-90000111.7G303 E444 W446 V490 Q504 V505 D506 S510 A511 Q512 I514 F515G303-F508 VanDerWaalsContact O-CA 3.32Å; G303-F508 WeakPolarHBondContact O-CA 3.24Å; G303-F508 VanDerWaalsContact O-CB 3.27Å; G303-F508 WeakPolarHBondContact O-CB 3.31Å; G303-F508 PolarHBondContact O-N 2.78Å; E444-F508 WeakPolarHBondContact OE1-CE2 3.45Å; W446-F508 AromaticContact CH2-CD1 3.65Å; W446-F508 HydrophobicContact CH2-CD1 3.65Å; W446-F508 AromaticContact CH2-CE1 3.94Å; W446-F508 HydrophobicContact CH2-CE1 3.94Å; W446-F508 HydrophobicContact CH2-CG 4Å; W446-F508 AromaticContact CZ2-CD1 3.52Å; W446-F508 HydrophobicContact CZ2-CD1 3.52Å; W446-F508 HydrophobicContact CZ2-CD2 4.02Å; W446-F508 AromaticContact CZ2-CE1 3.39Å; W446-F508 HydrophobicContact CZ2-CE1 3.39Å; W446-F508 AromaticContact CZ2-CE2 3.89Å; W446-F508 HydrophobicContact CZ2-CE2 3.89Å; W446-F508 AromaticContact CZ2-CG 3.84Å; W446-F508 HydrophobicContact CZ2-CG 3.84Å; W446-F508 AromaticContact CZ2-CZ 3.57Å; W446-F508 HydrophobicContact CZ2-CZ 3.57Å; V490-F508 HydrophobicContact CG1-CD2 4.26Å; V490-F508 HydrophobicContact CG2-CD2 3.78Å; V490-F508 HydrophobicContact CG2-CE2 3.52Å; Q504-F508 PolarHBondContact O-N 2.92Å; V505-F508 WeakPolarHBondContact O-CB 3.27Å; V505-F508 PolarHBondContact O-N 3.3Å; D506-F508 VanDerWaalsContact C-N 3.33Å; D506-F508 PolarHBondContact O-N 3.06Å; F508-S510 PolarHBondContact O-N 3.14Å; F508-A511 PolarHBondContact O-N 2.92Å; F508-Q512 HydrophobicContact CD2-CG 4.4Å; F508-Q512 HydrophobicContact CE1-CB 4.16Å; F508-Q512 HydrophobicContact CE1-CG 4.28Å; F508-Q512 HydrophobicContact CE2-CG 3.84Å; F508-Q512 HydrophobicContact CZ-CB 4.09Å; F508-Q512 HydrophobicContact CZ-CG 3.78Å; F508-Q512 PolarHBondContact O-N 3.43Å; F508-Q512 VanDerWaalsContact O-N 3.14Å; F508-I514 HydrophobicContact CE1-CD1 3.76Å; F508-I514 HydrophobicContact CE1-CG1 4.36Å; F508-I514 HydrophobicContact CZ-CD1 3.72Å; F508-F515 HydrophobicContact CD1-CE2 4.29Å; F508-F515 HydrophobicContact CE1-CE2 4.45Å
509K72.5Confident71Confident65 Ų6562.3 Ų62.328%0.28334%0.339SS..Hα-helixtrans-56.8-49.2-179.5-172.8177.3179.9177.50111.8W340 V505 D506 C507 A511 R513 F515W340-K509 HydrophobicContact CD2-CD 3.97Å; W340-K509 HydrophobicContact CE3-CB 4.38Å; W340-K509 HydrophobicContact CE3-CD 3.98Å; W340-K509 HydrophobicContact CE3-CG 4.41Å; W340-K509 HydrophobicContact CH2-CB 3.53Å; W340-K509 HydrophobicContact CH2-CD 3.92Å; W340-K509 HydrophobicContact CH2-CG 4.25Å; W340-K509 HydrophobicContact CZ2-CB 4.35Å; W340-K509 HydrophobicContact CZ2-CD 4.02Å; W340-K509 HydrophobicContact CZ3-CB 3.59Å; W340-K509 HydrophobicContact CZ3-CD 3.95Å; W340-K509 HydrophobicContact CZ3-CG 4.08Å; V505-K509 PolarHBondContact O-N 2.88Å; D506-K509 WeakPolarHBondContact O-CB 3.35Å; D506-K509 PolarHBondContact O-N 3.06Å; C507-K509 VanDerWaalsContact C-N 3.34Å; C507-K509 PolarHBondContact O-N 3.5Å; K509-A511 VanDerWaalsContact C-N 3.3Å; K509-A511 PolarHBondContact O-N 3.18Å; K509-R513 PolarHBondContact O-N 3.36Å; K509-F515 HydrophobicContact CB-CD2 4.41Å; K509-F515 HydrophobicContact CD-CB 4.44Å; K509-F515 HydrophobicContact CG-CB 4.02Å; K509-F515 HydrophobicContact CG-CD2 4.11Å; K509-F515 HydrophobicContact CG-CG 4.3Å
510S59Low68.3Low91 Ų9163.5 Ų63.564%0.63635%0.349SS*.Hα-helixtrans-66-32.1-17966.10000113D506 C507 F508D506-S510 PolarHBondContact O-N 3.42Å; D506-S510 VanDerWaalsContact O-N 3.16Å; C507-S510 PolarHBondContact O-N 2.87Å; C507-S510 PolarHBondContact O-OG 3.05Å; F508-S510 PolarHBondContact O-N 3.14Å
511A58.6Low67.1Low59 Ų5964.4 Ų64.449%0.48835%0.352SS..Hα-helixtrans-79.8-41.4-174.700000114.1C507 F508 K509C507-A511 WeakPolarHBondContact O-CB 3.37Å; C507-A511 PolarHBondContact O-N 2.9Å; F508-A511 PolarHBondContact O-N 2.92Å; K509-A511 VanDerWaalsContact C-N 3.3Å; K509-A511 PolarHBondContact O-N 3.18Å
512Q60.9Low65.8Low45 Ų4567.5 Ų67.521%0.2137%0.369CS..Hα-helixtrans-104.8-5.6-169.3-64.3-72.4-34.600114.1F508 I514F508-Q512 HydrophobicContact CD2-CG 4.4Å; F508-Q512 HydrophobicContact CE1-CB 4.16Å; F508-Q512 HydrophobicContact CE1-CG 4.28Å; F508-Q512 HydrophobicContact CE2-CG 3.84Å; F508-Q512 HydrophobicContact CZ-CB 4.09Å; F508-Q512 HydrophobicContact CZ-CG 3.78Å; F508-Q512 PolarHBondContact O-N 3.43Å; F508-Q512 VanDerWaalsContact O-N 3.14Å; Q512-I514 HydrophobicContact CB-CD1 3.81Å; Q512-I514 HydrophobicContact CB-CG1 3.53Å; Q512-I514 HydrophobicContact CG-CD1 4.5Å; Q512-I514 WeakPolarHBondContact O-CG1 3.26Å; Q512-I514 PolarHBondContact O-N 3.38Å
513R53.1Low64.4Low145 Ų14564.3 Ų64.355%0.54736%0.363SS..  trans50.912.3-177.8-62.4-172.3-178.5175.10.2115.1K509 F515 D516 F519K509-R513 PolarHBondContact O-N 3.36Å; R513-F515 PolarHBondContact O-N 3.39Å; R513-F515 VanDerWaalsContact O-N 3.16Å; R513-D516 HydrophobicContact CB-CB 4.21Å; R513-D516 PolarHBondContact O-N 3.47Å; R513-F519 HydrophobicContact CB-CB 4.32Å; R513-F519 HydrophobicContact CB-CD2 3.82Å; R513-F519 HydrophobicContact CB-CG 4.32Å; R513-F519 WeakPolarHBondContact O-CB 3.48Å
514I60.6Low62.9Low23 Ų2364.8 Ų64.812%0.11836%0.357CS..THydrogen-bonded Turntrans-61.8-31.5-175.7-47.1-173.9000110.2Y318 R424 I425 F508 Q512Y318-I514 HydrophobicContact CD1-CD1 4.48Å; Y318-I514 HydrophobicContact CD1-CG2 4.2Å; Y318-I514 HydrophobicContact CE1-CD1 4.21Å; Y318-I514 HydrophobicContact CG-CG2 4.27Å; R424-I514 PolarHBondContact NH2-O 2.94Å; I425-I514 HydrophobicContact CD1-CB 4.19Å; I425-I514 HydrophobicContact CD1-CG2 3.68Å; I425-I514 HydrophobicContact CG1-CG2 4.01Å; F508-I514 HydrophobicContact CE1-CD1 3.76Å; F508-I514 HydrophobicContact CE1-CG1 4.36Å; F508-I514 HydrophobicContact CZ-CD1 3.72Å; Q512-I514 HydrophobicContact CB-CD1 3.81Å; Q512-I514 HydrophobicContact CB-CG1 3.53Å; Q512-I514 HydrophobicContact CG-CD1 4.5Å; Q512-I514 WeakPolarHBondContact O-CG1 3.26Å; Q512-I514 PolarHBondContact O-N 3.38Å
515F56Low61Low31 Ų3167.8 Ų67.814%0.13638%0.375CS..THydrogen-bonded Turntrans-87.2-9.2175.9-64.9-90.1000114.2L337 W340 A342 I425 F508 K509 R513L337-F515 HydrophobicContact CD2-CE1 4.48Å; L337-F515 HydrophobicContact CD2-CZ 3.82Å; W340-F515 HydrophobicContact CB-CD1 4.01Å; W340-F515 HydrophobicContact CB-CE1 4.11Å; W340-F515 AromaticContact CE3-CD1 3.89Å; W340-F515 HydrophobicContact CE3-CD1 3.89Å; W340-F515 AromaticContact CE3-CD2 3.99Å; W340-F515 HydrophobicContact CE3-CD2 3.99Å; W340-F515 AromaticContact CE3-CE1 3.68Å; W340-F515 HydrophobicContact CE3-CE1 3.68Å; W340-F515 AromaticContact CE3-CE2 3.78Å; W340-F515 HydrophobicContact CE3-CE2 3.78Å; W340-F515 HydrophobicContact CE3-CG 4.06Å; W340-F515 AromaticContact CE3-CZ 3.63Å; W340-F515 HydrophobicContact CE3-CZ 3.63Å; W340-F515 HydrophobicContact CZ3-CD2 4.09Å; W340-F515 HydrophobicContact CZ3-CE1 4.49Å; W340-F515 AromaticContact CZ3-CE2 3.79Å; W340-F515 HydrophobicContact CZ3-CE2 3.79Å; W340-F515 HydrophobicContact CZ3-CZ 4.02Å; A342-F515 HydrophobicContact CB-CE1 4.38Å; I425-F515 HydrophobicContact CB-CE1 4.3Å; I425-F515 HydrophobicContact CD1-CD1 3.35Å; I425-F515 HydrophobicContact CD1-CD2 3.75Å; I425-F515 HydrophobicContact CD1-CE1 3.17Å; I425-F515 HydrophobicContact CD1-CE2 3.58Å; I425-F515 HydrophobicContact CD1-CG 3.63Å; I425-F515 HydrophobicContact CD1-CZ 3.28Å; I425-F515 HydrophobicContact CG1-CE1 4.31Å; I425-F515 HydrophobicContact CG1-CZ 4.49Å; I425-F515 HydrophobicContact CG2-CE1 4.35Å; I425-F515 HydrophobicContact CG2-CZ 4.29Å; F508-F515 HydrophobicContact CD1-CE2 4.29Å; F508-F515 HydrophobicContact CE1-CE2 4.45Å; K509-F515 HydrophobicContact CB-CD2 4.41Å; K509-F515 HydrophobicContact CD-CB 4.44Å; K509-F515 HydrophobicContact CG-CB 4.02Å; K509-F515 HydrophobicContact CG-CD2 4.11Å; K509-F515 HydrophobicContact CG-CG 4.3Å; R513-F515 PolarHBondContact O-N 3.39Å; R513-F515 VanDerWaalsContact O-N 3.16Å
516D54.9Low59.2Low57 Ų5772.3 Ų72.331%0.30540%0.4SS..SBendtrans-84134.8-176.5-73.1-18.8000111.4R424 R513 T518 F519R424-D516 VanDerWaalsContact CZ-O 3.24Å; R424-D516 PolarHBondContact NH1-O 2.93Å; R424-D516 PolarHBondContact NH2-O 3.02Å; R513-D516 HydrophobicContact CB-CB 4.21Å; R513-D516 PolarHBondContact O-N 3.47Å; D516-T518 PolarHBondContact O-N 3.46Å; D516-T518 VanDerWaalsContact O-N 3.08Å; D516-F519 PolarHBondContact O-N 2.85Å
517A50.9Low57.2Low83 Ų8373 Ų7369%0.68641%0.405SS*.G310 helixtrans-51.5-31.2178.500000113.7
518T43.4Very low55.3Low119 Ų11976.6 Ų76.673%0.7342%0.422SS*.G310 helixtrans-94.26.2-16941.20000115.7D516 L520D516-T518 PolarHBondContact O-N 3.46Å; D516-T518 VanDerWaalsContact O-N 3.08Å; T518-L520 VanDerWaalsContact C-N 3.34Å
519F39.6Very low53.6Low123 Ų12382.9 Ų82.954%0.53946%0.457SS..G310 helixtrans-79-12.7-179.4-171.9-102.5000114.5R513 D516R513-F519 HydrophobicContact CB-CB 4.32Å; R513-F519 HydrophobicContact CB-CD2 3.82Å; R513-F519 HydrophobicContact CB-CG 4.32Å; R513-F519 WeakPolarHBondContact O-CB 3.48Å; D516-F519 PolarHBondContact O-N 2.85Å
520L33.4Very low51.8Low154 Ų15484.5 Ų84.581%0.80647%0.473SS*.  trans-130.10168.3-75.1165.9000107.9T518T518-L520 VanDerWaalsContact C-N 3.34Å

Retrieved 520 of 520 residues in 805.6 ms (Link to these results)

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