A0A077ZGW7_TRITR Loading...

Synaptobrevin YKT6

Vesicular soluble NSF attachment protein receptor (v-SNARE) mediating vesicle docking and fusion to a specific acceptor cellular compartment. Functions in endoplasmic reticulum to Golgi transport; as part of a SNARE complex composed of GOSR1, GOSR2 and STX5. Functions in early/recycling endosome to TGN transport; as part of a SNARE complex composed of BET1L, GOSR1 and STX5. Has a S-palmitoyl transferase activity.

AlphaFold DB , UniProt , Accession A0A077ZGW7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 201 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
1M88.8Confident96.4Very high118 Ų11821.6 Ų21.658%0.58110%0.099SC*.  0109.70-59.5-168.8-41.600110D82 D84 P136M1-D82 VanDerWaalsContact CA-CG 3.45Å; M1-D82 WeakPolarHBondContact CA-OD1 3.47Å; M1-D82 WeakPolarHBondContact CA-OD2 3.33Å; M1-D82 PolarHBondContact N-OD2 2.89Å; M1-D84 HydrophobicContact CB-CB 4.45Å; M1-D84 HydrophobicContact CG-CB 3.54Å; M1-P136 HydrophobicContact CE-CG 4.21Å; M1-P136 HydrophobicContact SD-CG 4.49Å
2K94.5Very high96.1Very high53 Ų5320.8 Ų20.823%0.2310%0.101CC..  trans-151.6138.1-177.3-169.971.3-174164.60110.3F4 D24 T81 D82 Q134K2-F4 HydrophobicContact CB-CE1 4.05Å; K2-F4 HydrophobicContact CB-CE2 4.14Å; K2-F4 HydrophobicContact CB-CZ 3.78Å; K2-F4 HydrophobicContact CG-CD1 3.78Å; K2-F4 HydrophobicContact CG-CE1 3.45Å; K2-F4 VanDerWaalsContact CG-CE1 3.45Å; K2-F4 HydrophobicContact CG-CE2 4.31Å; K2-F4 HydrophobicContact CG-CG 4.35Å; K2-F4 HydrophobicContact CG-CZ 3.74Å; K2-D24 VanDerWaalsContact CE-OD2 3.31Å; K2-D24 WeakPolarHBondContact CE-OD2 3.15Å; K2-D24 IonicContact NZ-OD2 3.26Å; K2-D24 PolarHBondContact NZ-OD2 3.25Å; K2-T81 CarbonylContact O-C 3.54Å; K2-T81 WeakPolarHBondContact O-CA 3.46Å; K2-T81 WeakPolarHBondContact O-CB 3.38Å; K2-D82 PolarHBondContact N-OD1 2.82Å; K2-D82 PolarHBondContact N-OD2 2.96Å; K2-D82 PolarHBondContact O-N 2.91Å; K2-D82 VanDerWaalsContact O-N 3.07Å; K2-Q134 VanDerWaalsContact CD-OE1 3.26Å; K2-Q134 VanDerWaalsContact CE-OE1 3.24Å
3L96.5Very high95.7Very high0 Ų028 Ų280%015%0.151CC..EExtended strand (participates in β ladder)trans-103.3111168.8177.565000108.3L6 A79 T81 Y85 L93 L130 Q134L3-L6 HydrophobicContact CD1-CD2 4.2Å; L3-L6 HydrophobicContact CD2-CD1 4.37Å; L3-L6 HydrophobicContact CD2-CD2 4.3Å; L3-L6 HydrophobicContact CD2-CG 4.27Å; L3-A79 HydrophobicContact CD1-CB 4.05Å; L3-T81 HydrophobicContact CD1-CG2 3.55Å; L3-Y85 HydrophobicContact CB-CD2 4.37Å; L3-Y85 HydrophobicContact CB-CE2 3.97Å; L3-L93 HydrophobicContact CD2-CD2 3.85Å; L3-L130 HydrophobicContact CB-CD1 4.47Å; L3-L130 HydrophobicContact CD2-CD1 3.84Å; L3-L130 HydrophobicContact CG-CD1 3.67Å; L3-Q134 PolarHBondContact O-NE2 3.45Å
4F97.9Very high95.2Very high16 Ų1633.3 Ų33.37%0.0720%0.2CC..EExtended strand (participates in β ladder)trans-89.8-34.1-173.7-61.6-73.7000113.4K2 F23 D24 F28 M40 Y64 V80 D82K2-F4 HydrophobicContact CB-CE1 4.05Å; K2-F4 HydrophobicContact CB-CE2 4.14Å; K2-F4 HydrophobicContact CB-CZ 3.78Å; K2-F4 HydrophobicContact CG-CD1 3.78Å; K2-F4 HydrophobicContact CG-CE1 3.45Å; K2-F4 VanDerWaalsContact CG-CE1 3.45Å; K2-F4 HydrophobicContact CG-CE2 4.31Å; K2-F4 HydrophobicContact CG-CG 4.35Å; K2-F4 HydrophobicContact CG-CZ 3.74Å; F4-F23 CarbonylContact O-C 3.58Å; F4-F23 WeakPolarHBondContact O-CA 3.46Å; F4-D24 PolarHBondContact O-N 3.31Å; F4-F28 AromaticContact CD1-CE2 3.83Å; F4-F28 HydrophobicContact CD1-CE2 3.83Å; F4-F28 HydrophobicContact CD1-CZ 4.37Å; F4-F28 HydrophobicContact CE1-CE2 4.02Å; F4-F28 HydrophobicContact CE1-CZ 4.33Å; F4-M40 HydrophobicContact CB-CE 3.58Å; F4-M40 HydrophobicContact CB-SD 4.36Å; F4-M40 HydrophobicContact CG-CE 4.16Å; F4-Y64 AromaticContact CD2-CD1 3.98Å; F4-Y64 HydrophobicContact CD2-CD1 3.98Å; F4-Y64 HydrophobicContact CD2-CE1 4.17Å; F4-Y64 AromaticContact CE2-CD1 3.69Å; F4-Y64 HydrophobicContact CE2-CD1 3.69Å; F4-Y64 AromaticContact CE2-CE1 3.69Å; F4-Y64 HydrophobicContact CE2-CE1 3.69Å; F4-Y64 HydrophobicContact CZ-CD1 4.41Å; F4-Y64 AromaticContact CZ-CE1 3.95Å; F4-Y64 HydrophobicContact CZ-CE1 3.95Å; F4-V80 HydrophobicContact CB-CB 4.49Å; F4-V80 HydrophobicContact CB-CG1 4.46Å; F4-V80 HydrophobicContact CD2-CG1 4.43Å; F4-V80 PolarHBondContact N-O 3.24Å; F4-D82 HydrophobicContact CE2-CB 4.08Å
5A98.3Very high94.9Very high0 Ų034.3 Ų34.30%021%0.213CC..EExtended strand (participates in β ladder)trans-150.1146.3-175.700000112.2S22 F23 M40 A79 V80A5-S22 WeakPolarHBondContact CA-O 3.44Å; A5-F23 HydrophobicContact CB-CD1 3.56Å; A5-F23 HydrophobicContact CB-CE1 3.88Å; A5-F23 HydrophobicContact CB-CG 4.48Å; A5-M40 HydrophobicContact CB-SD 3.81Å; A5-A79 WeakPolarHBondContact O-CA 3.44Å; A5-V80 HydrophobicContact CB-CB 4.08Å; A5-V80 HydrophobicContact CB-CG2 4.14Å; A5-V80 PolarHBondContact N-O 3.31Å; A5-V80 PolarHBondContact O-N 3.36Å
6L98.4Very high94.9Very high0 Ų032.4 Ų32.40%020%0.202CC..EExtended strand (participates in β ladder)trans-124.2127.1159.7-65.9173.8000107.9L3 G21 S22 L78 A79 L93 L94 L97 L126 L130L3-L6 HydrophobicContact CD1-CD2 4.2Å; L3-L6 HydrophobicContact CD2-CD1 4.37Å; L3-L6 HydrophobicContact CD2-CD2 4.3Å; L3-L6 HydrophobicContact CD2-CG 4.27Å; L6-G21 CarbonylContact O-C 3.59Å; L6-G21 VanDerWaalsContact O-CA 3.29Å; L6-G21 WeakPolarHBondContact O-CA 3.48Å; L6-S22 PolarHBondContact N-O 2.51Å; L6-S22 PolarHBondContact O-N 2.92Å; L6-L78 WeakPolarHBondContact CA-O 3.48Å; L6-A79 HydrophobicContact CD2-CB 3.76Å; L6-L93 HydrophobicContact CD1-CD2 4.02Å; L6-L93 HydrophobicContact CD2-CD2 3.74Å; L6-L93 HydrophobicContact CD2-CG 4.29Å; L6-L93 HydrophobicContact CG-CD2 4.47Å; L6-L94 HydrophobicContact CD2-CD2 4.49Å; L6-L97 HydrophobicContact CB-CD2 4.29Å; L6-L97 HydrophobicContact CD1-CD2 4.46Å; L6-L126 HydrophobicContact CB-CD1 3.67Å; L6-L126 HydrophobicContact CB-CG 4.39Å; L6-L126 HydrophobicContact CD1-CD1 4.46Å; L6-L130 HydrophobicContact CD1-CB 4.02Å; L6-L130 HydrophobicContact CD1-CD1 4.47Å; L6-L130 HydrophobicContact CG-CD1 4.18Å
7A98.2Very high94.9Very high0 Ų030.8 Ų30.80%019%0.192CC..EExtended strand (participates in β ladder)trans-138.9146.9179.800000111.3F9 F18 T20 G77 L78A7-F9 HydrophobicContact CB-CE2 3.54Å; A7-F9 HydrophobicContact CB-CZ 3.76Å; A7-F18 HydrophobicContact CB-CD2 4.47Å; A7-F18 HydrophobicContact CB-CE2 3.93Å; A7-T20 WeakPolarHBondContact CA-O 3.35Å; A7-G77 CarbonylContact O-C 3.49Å; A7-G77 WeakPolarHBondContact O-CA 3.47Å; A7-L78 HydrophobicContact CB-CB 4.3Å; A7-L78 HydrophobicContact CB-CD2 4.32Å; A7-L78 PolarHBondContact N-O 3.49Å; A7-L78 PolarHBondContact O-N 2.97Å
8L97.8Very high94.9Very high0 Ų031.7 Ų31.70%019%0.193CC..EExtended strand (participates in β ladder)trans-113.1139.3180-59.4-173.4000109.8L19 T20 S76 L97 L98 F101 F123L8-L19 HydrophobicContact CB-CB 4.23Å; L8-L19 HydrophobicContact CB-CD1 4.44Å; L8-L19 WeakPolarHBondContact O-CB 3.29Å; L8-L19 PolarHBondContact O-N 2.85Å; L8-T20 HydrophobicContact CB-CG2 4.19Å; L8-T20 HydrophobicContact CD1-CG2 3.91Å; L8-T20 HydrophobicContact CG-CG2 4.24Å; L8-T20 PolarHBondContact N-O 2.68Å; L8-S76 WeakPolarHBondContact CA-O 3.43Å; L8-L97 HydrophobicContact CD2-CD2 3.73Å; L8-L97 HydrophobicContact CD2-CG 4.11Å; L8-L98 HydrophobicContact CD2-CD2 3.4Å; L8-F101 HydrophobicContact CD1-CB 3.97Å; L8-F101 HydrophobicContact CD1-CD1 4.2Å; L8-F101 HydrophobicContact CD1-CD2 3.28Å; L8-F101 HydrophobicContact CD1-CE2 3.67Å; L8-F101 HydrophobicContact CD1-CG 3.55Å; L8-F101 HydrophobicContact CD1-CZ 4.28Å; L8-F123 HydrophobicContact CD1-CD1 4.12Å; L8-F123 HydrophobicContact CD1-CE1 4.27Å
9F97.2Very high94.9Very high0 Ų030.5 Ų30.50%019%0.185CC..EExtended strand (participates in β ladder)trans-136.4153-178.4-54.8-94.9000110.2A7 C17 F18 V41 K45 V48 S76 L78A7-F9 HydrophobicContact CB-CE2 3.54Å; A7-F9 HydrophobicContact CB-CZ 3.76Å; F9-C17 CarbonylContact C-O 3.52Å; F9-C17 WeakPolarHBondContact CA-O 3.27Å; F9-C17 WeakPolarHBondContact CB-O 3.22Å; F9-F18 HydrophobicContact CD1-CB 4.07Å; F9-F18 HydrophobicContact CD1-CD2 4.19Å; F9-F18 HydrophobicContact CE1-CB 4.02Å; F9-F18 AromaticContact CE1-CD2 3.66Å; F9-F18 HydrophobicContact CE1-CD2 3.66Å; F9-F18 HydrophobicContact CE1-CG 4.33Å; F9-F18 AromaticContact CZ-CD2 3.98Å; F9-F18 HydrophobicContact CZ-CD2 3.98Å; F9-V41 HydrophobicContact CE1-CG1 4.12Å; F9-K45 HydrophobicContact CD1-CG 3.8Å; F9-K45 HydrophobicContact CE1-CG 3.63Å; F9-V48 HydrophobicContact CB-CG2 4.48Å; F9-V48 HydrophobicContact CD2-CG2 4.32Å; F9-V48 HydrophobicContact CG-CG2 4.47Å; F9-S76 PolarHBondContact N-O 2.76Å; F9-S76 WeakPolarHBondContact O-CA 3.48Å; F9-S76 PolarHBondContact O-N 3.24Å; F9-L78 HydrophobicContact CD2-CB 4.36Å; F9-L78 HydrophobicContact CE2-CB 3.6Å; F9-L78 HydrophobicContact CE2-CD2 4.13Å; F9-L78 HydrophobicContact CZ-CD2 4.25Å
10Y97Very high94.9Very high25 Ų2530.2 Ų30.210%0.09818%0.183CC..EExtended strand (participates in β ladder)trans-104.7120.8161.5171.7-120.8000108.6G12 A16 C17 W110 K111 V112Y10-G12 VanDerWaalsContact C-N 3.35Å; Y10-G12 PolarHBondContact O-N 3.15Å; Y10-A16 CarbonylContact O-C 3.55Å; Y10-A16 WeakPolarHBondContact O-CA 3.43Å; Y10-C17 PolarHBondContact N-O 2.61Å; Y10-C17 PolarHBondContact O-N 3.44Å; Y10-W110 VanDerWaalsContact CB-O 3.31Å; Y10-W110 WeakPolarHBondContact CB-O 3.43Å; Y10-W110 HydrophobicContact CD2-CE3 4.01Å; Y10-W110 HydrophobicContact CD2-CZ3 4.01Å; Y10-W110 HydrophobicContact CE2-CZ3 4.33Å; Y10-K111 HydrophobicContact CD2-CG 4.2Å; Y10-K111 HydrophobicContact CE1-CB 4.36Å; Y10-K111 HydrophobicContact CE2-CB 4.21Å; Y10-K111 HydrophobicContact CE2-CD 4.38Å; Y10-K111 HydrophobicContact CE2-CG 3.73Å; Y10-V112 HydrophobicContact CD1-CG2 4.46Å; Y10-V112 VanDerWaalsContact CD1-O 3.27Å; Y10-V112 WeakPolarHBondContact CD1-O 3.26Å; Y10-V112 WeakPolarHBondContact CE1-O 3.12Å
11K96.4Very high95Very high26 Ų2629.8 Ų29.811%0.11319%0.186CC..EExtended strand (participates in β ladder)trans-76.989.1172-175.2179.1170.2730108.5V48 E49 S51 I53 V70 S74K11-V48 HydrophobicContact CB-CG1 3.67Å; K11-V48 HydrophobicContact CD-CG1 4.25Å; K11-V48 WeakPolarHBondContact CD-O 3.27Å; K11-V48 HydrophobicContact CG-CG1 4Å; K11-V48 PolarHBondContact NZ-O 3.36Å; K11-E49 VanDerWaalsContact NZ-C 3.28Å; K11-E49 PolarHBondContact NZ-O 3.16Å; K11-S51 WeakPolarHBondContact CE-O 3.38Å; K11-S51 PolarHBondContact NZ-O 2.97Å; K11-I53 HydrophobicContact CD-CD1 3.8Å; K11-I53 HydrophobicContact CD-CG1 3.7Å; K11-V70 HydrophobicContact CB-CG1 4.5Å; K11-V70 HydrophobicContact CD-CG1 3.67Å; K11-S74 PolarHBondContact N-O 2.91Å; K11-S74 VanDerWaalsContact O-CB 3.3Å; K11-S74 WeakPolarHBondContact O-CB 3.34Å
12G92.7Very high95.5Very high12 Ų1224.8 Ų24.812%0.12416%0.163CC..  trans-67.6168.7173.700000111.9Y10 A14 A15Y10-G12 VanDerWaalsContact C-N 3.35Å; Y10-G12 PolarHBondContact O-N 3.15Å; G12-A14 VanDerWaalsContact C-N 3.29Å; G12-A14 PolarHBondContact O-N 3.15Å; G12-A15 VanDerWaalsContact CA-O 3.24Å; G12-A15 WeakPolarHBondContact CA-O 3.16Å; G12-A15 PolarHBondContact N-O 3.36Å
13P90Very high95.6Very high114 Ų11424.5 Ų24.574%0.7416%0.161SC*.SBendtrans-65.6-31-179.725.6-33.9000113.1
14A88.8Confident95.7Very high102 Ų10225.7 Ų25.784%0.84317%0.168SC*.SBendtrans-105.3-36.8-179.400000113.4G12G12-A14 VanDerWaalsContact C-N 3.29Å; G12-A14 PolarHBondContact O-N 3.15Å
15A91.6Very high95.6Very high48 Ų4825.8 Ų25.840%0.39717%0.169SC..SBendtrans-153157-175.400000111.3G12G12-A15 VanDerWaalsContact CA-O 3.24Å; G12-A15 WeakPolarHBondContact CA-O 3.16Å; G12-A15 PolarHBondContact N-O 3.36Å
16A94.7Very high95.4Very high4 Ų433 Ų333%0.03320%0.203CC..EExtended strand (participates in β ladder)trans-82.2128.8172.200000111Y10 K45 V48 E49Y10-A16 CarbonylContact O-C 3.55Å; Y10-A16 WeakPolarHBondContact O-CA 3.43Å; A16-K45 HydrophobicContact CB-CB 4.19Å; A16-K45 HydrophobicContact CB-CG 4.27Å; A16-V48 HydrophobicContact CB-CB 4.25Å; A16-V48 HydrophobicContact CB-CG1 3.93Å; A16-E49 HydrophobicContact CB-CG 3.62Å; A16-E49 PolarHBondContact N-OE1 2.89Å
17C94.5Very high95.1Very high6 Ų637 Ų374%0.04123%0.23CC..EExtended strand (participates in β ladder)trans-97.5128.8175.6-630000109.3F9 Y10 V112F9-C17 CarbonylContact C-O 3.52Å; F9-C17 WeakPolarHBondContact CA-O 3.27Å; F9-C17 WeakPolarHBondContact CB-O 3.22Å; Y10-C17 PolarHBondContact N-O 2.61Å; Y10-C17 PolarHBondContact O-N 3.44Å; C17-V112 HydrophobicContact CB-CG2 3.78Å
18F95Very high94.9Very high46 Ų4638.3 Ų38.320%0.20224%0.236CC..EExtended strand (participates in β ladder)trans-73.8134170173.3-102.5000109.2A7 F9 T20 F23 V41A7-F18 HydrophobicContact CB-CD2 4.47Å; A7-F18 HydrophobicContact CB-CE2 3.93Å; F9-F18 HydrophobicContact CD1-CB 4.07Å; F9-F18 HydrophobicContact CD1-CD2 4.19Å; F9-F18 HydrophobicContact CE1-CB 4.02Å; F9-F18 AromaticContact CE1-CD2 3.66Å; F9-F18 HydrophobicContact CE1-CD2 3.66Å; F9-F18 HydrophobicContact CE1-CG 4.33Å; F9-F18 AromaticContact CZ-CD2 3.98Å; F9-F18 HydrophobicContact CZ-CD2 3.98Å; F18-T20 WeakPolarHBondContact CE2-O 3.41Å; F18-F23 HydrophobicContact CE2-CZ 4.5Å; F18-V41 HydrophobicContact CB-CG1 4.09Å; F18-V41 HydrophobicContact CD2-CG1 3.79Å; F18-V41 HydrophobicContact CD2-CG2 4.16Å; F18-V41 HydrophobicContact CE2-CG1 4.37Å; F18-V41 HydrophobicContact CE2-CG2 3.9Å; F18-V41 HydrophobicContact CG-CG1 3.95Å; F18-V41 HydrophobicContact CZ-CG2 4.37Å
19L95.4Very high94.6Very high9 Ų941.6 Ų41.65%0.04726%0.259CS..EExtended strand (participates in β ladder)trans-103.5-58.1-178.5-60.7176000110.7L8 L75 F101 W110 T118 I121L8-L19 HydrophobicContact CB-CB 4.23Å; L8-L19 HydrophobicContact CB-CD1 4.44Å; L8-L19 WeakPolarHBondContact O-CB 3.29Å; L8-L19 PolarHBondContact O-N 2.85Å; L19-L75 HydrophobicContact CD1-CD1 3.83Å; L19-F101 HydrophobicContact CD1-CE1 4.17Å; L19-F101 HydrophobicContact CD1-CZ 4.19Å; L19-W110 HydrophobicContact CD1-CB 3.78Å; L19-W110 HydrophobicContact CD2-CB 4Å; L19-T118 HydrophobicContact CD2-CG2 4.45Å; L19-I121 HydrophobicContact CB-CD1 4.33Å; L19-I121 HydrophobicContact CD2-CD1 4.39Å
20T95.5Very high94.4Very high24 Ų2448.6 Ų48.615%0.14729%0.29CS..EExtended strand (participates in β ladder)trans-163.1160.4-179.8-171.80000110.2A7 L8 F18 F101 F123 L126A7-T20 WeakPolarHBondContact CA-O 3.35Å; L8-T20 HydrophobicContact CB-CG2 4.19Å; L8-T20 HydrophobicContact CD1-CG2 3.91Å; L8-T20 HydrophobicContact CG-CG2 4.24Å; L8-T20 PolarHBondContact N-O 2.68Å; F18-T20 WeakPolarHBondContact CE2-O 3.41Å; T20-F101 HydrophobicContact CG2-CE2 4.27Å; T20-F123 HydrophobicContact CG2-CB 4.39Å; T20-L126 HydrophobicContact CG2-CD2 4.09Å
21G96.7Very high94.1Very high23 Ų2355.1 Ų55.124%0.23732%0.319CS..EExtended strand (participates in β ladder)trans-160.7143.3-172.300000112.9L6 L126L6-G21 CarbonylContact O-C 3.59Å; L6-G21 VanDerWaalsContact O-CA 3.29Å; L6-G21 WeakPolarHBondContact O-CA 3.48Å; G21-L126 VanDerWaalsContact C-CD2 3.43Å; G21-L126 VanDerWaalsContact CA-CD2 3.47Å
22S97.8Very high93.8Very high13 Ų1357.1 Ų57.19%0.09133%0.329CS..EExtended strand (participates in β ladder)trans-120.2139.3171-171.70000109.4A5 L6 S127 L130A5-S22 WeakPolarHBondContact CA-O 3.44Å; L6-S22 PolarHBondContact N-O 2.51Å; L6-S22 PolarHBondContact O-N 2.92Å; S22-S127 WeakPolarHBondContact OG-CA 3.33Å; S22-S127 PolarHBondContact OG-OG 3.4Å; S22-L130 VanDerWaalsContact OG-CD2 3.24Å; S22-L130 WeakPolarHBondContact OG-CD2 3.5Å
23F97.9Very high93.9Very high46 Ų4660.7 Ų60.720%0.20234%0.339CS..EExtended strand (participates in β ladder)trans-137129-170.6-53.6-94.6000111.1F4 A5 F18 L25 R37 M40 V41F4-F23 CarbonylContact O-C 3.58Å; F4-F23 WeakPolarHBondContact O-CA 3.46Å; A5-F23 HydrophobicContact CB-CD1 3.56Å; A5-F23 HydrophobicContact CB-CE1 3.88Å; A5-F23 HydrophobicContact CB-CG 4.48Å; F18-F23 HydrophobicContact CE2-CZ 4.5Å; F23-L25 HydrophobicContact CB-CD1 4.12Å; F23-L25 HydrophobicContact CB-CD2 4.41Å; F23-L25 HydrophobicContact CB-CG 3.96Å; F23-R37 HydrophobicContact CD1-CB 4.48Å; F23-R37 HydrophobicContact CD1-CG 3.85Å; F23-R37 HydrophobicContact CD2-CG 3.79Å; F23-R37 HydrophobicContact CE1-CG 3.81Å; F23-R37 HydrophobicContact CE2-CG 3.75Å; F23-R37 HydrophobicContact CG-CG 3.85Å; F23-R37 HydrophobicContact CZ-CG 3.77Å; F23-M40 HydrophobicContact CD1-SD 4.16Å; F23-M40 HydrophobicContact CE1-CB 4.25Å; F23-V41 HydrophobicContact CE1-CG2 4Å; F23-V41 HydrophobicContact CZ-CG2 3.57Å
24D97.3Very high94.2Very high26 Ų2657.9 Ų57.914%0.13932%0.317CS..  trans-106.299169-177.1-10.9000108.4K2 F4 Q26 L130K2-D24 VanDerWaalsContact CE-OD2 3.31Å; K2-D24 WeakPolarHBondContact CE-OD2 3.15Å; K2-D24 IonicContact NZ-OD2 3.26Å; K2-D24 PolarHBondContact NZ-OD2 3.25Å; F4-D24 PolarHBondContact O-N 3.31Å; D24-Q26 WeakPolarHBondContact OD1-CG 3.27Å; D24-Q26 PolarHBondContact OD1-N 3.25Å; D24-L130 HydrophobicContact CB-CD2 4.17Å
25L95.9Very high94.5Very high17 Ų1753.1 Ų53.19%0.08928%0.278CS..  trans-114.424.1-175.9-53.8179.3000112F23 S27 F28 R33 V36 R37 M40F23-L25 HydrophobicContact CB-CD1 4.12Å; F23-L25 HydrophobicContact CB-CD2 4.41Å; F23-L25 HydrophobicContact CB-CG 3.96Å; L25-S27 PolarHBondContact O-N 3.2Å; L25-F28 HydrophobicContact CB-CD2 3.93Å; L25-F28 HydrophobicContact CD2-CD2 3.89Å; L25-F28 HydrophobicContact CD2-CE2 3.85Å; L25-F28 PolarHBondContact O-N 3.24Å; L25-R33 HydrophobicContact CB-CB 4.17Å; L25-R33 HydrophobicContact CB-CG 3.91Å; L25-R33 HydrophobicContact CD1-CB 4.17Å; L25-R33 WeakPolarHBondContact CD1-O 3.4Å; L25-R33 PolarHBondContact O-NE 3.29Å; L25-R33 VanDerWaalsContact O-NE 3.08Å; L25-V36 HydrophobicContact CD2-CG1 3.8Å; L25-R37 HydrophobicContact CD1-CB 3.82Å; L25-M40 HydrophobicContact CD2-CE 3.84Å; L25-M40 HydrophobicContact CD2-SD 3.89Å
26Q94.6Very high94.7Very high152 Ų15251.4 Ų51.471%0.7126%0.263SS*.THydrogen-bonded Turntrans-64.4-31-176.4-67.7-176.3-12.100112.6D24 F28 R33D24-Q26 WeakPolarHBondContact OD1-CG 3.27Å; D24-Q26 PolarHBondContact OD1-N 3.25Å; Q26-F28 PolarHBondContact O-N 3.36Å; Q26-R33 PolarHBondContact O-NH2 3.1Å
27S92.7Very high94.8Very high83 Ų8356.6 Ų56.658%0.5828%0.281SS*.THydrogen-bonded Turntrans-69.2-13.6174.657.30000114.1L25L25-S27 PolarHBondContact O-N 3.2Å
28F92.7Very high94.9Very high28 Ų2858 Ų5812%0.12329%0.287CS..SBendtrans-97.8147177.9-58.7-87.5000110.9F4 L25 Q26 F30 R33 V36 M40 Y64F4-F28 AromaticContact CD1-CE2 3.83Å; F4-F28 HydrophobicContact CD1-CE2 3.83Å; F4-F28 HydrophobicContact CD1-CZ 4.37Å; F4-F28 HydrophobicContact CE1-CE2 4.02Å; F4-F28 HydrophobicContact CE1-CZ 4.33Å; L25-F28 HydrophobicContact CB-CD2 3.93Å; L25-F28 HydrophobicContact CD2-CD2 3.89Å; L25-F28 HydrophobicContact CD2-CE2 3.85Å; L25-F28 PolarHBondContact O-N 3.24Å; Q26-F28 PolarHBondContact O-N 3.36Å; F28-F30 PolarHBondContact O-N 3.06Å; F28-R33 HydrophobicContact CB-CG 4.18Å; F28-R33 PolarHBondContact O-NE 3Å; F28-R33 PolarHBondContact O-NH2 2.97Å; F28-V36 HydrophobicContact CD1-CG1 4.27Å; F28-V36 HydrophobicContact CD1-CG2 3.73Å; F28-V36 HydrophobicContact CD2-CG1 4.19Å; F28-V36 HydrophobicContact CE1-CG1 4.02Å; F28-V36 HydrophobicContact CE1-CG2 4.05Å; F28-V36 HydrophobicContact CE2-CG1 3.94Å; F28-V36 HydrophobicContact CG-CG1 4.34Å; F28-V36 HydrophobicContact CG-CG2 4.09Å; F28-V36 HydrophobicContact CZ-CG1 3.85Å; F28-M40 HydrophobicContact CE2-CE 4.34Å; F28-M40 HydrophobicContact CZ-CE 4.36Å; F28-Y64 WeakPolarHBondContact CE1-OH 3.46Å; F28-Y64 HydrophobicContact CZ-CE1 4.03Å
29S92.8Very high94.9Very high70 Ų7057.8 Ų57.849%0.4929%0.286SS..  trans-54.7138173.6-610000110.3F31 Q32 R33S29-F31 PolarHBondContact O-N 3.48Å; S29-F31 VanDerWaalsContact O-N 3.1Å; S29-Q32 WeakPolarHBondContact O-CA 3.33Å; S29-Q32 WeakPolarHBondContact O-CB 3.38Å; S29-Q32 PolarHBondContact O-N 2.97Å; S29-Q32 PolarHBondContact OG-OE1 3.07Å; S29-R33 WeakPolarHBondContact O-CG 3.48Å; S29-R33 PolarHBondContact O-N 3.08Å
30F91.7Very high95Very high146 Ų14658 Ų5864%0.6429%0.287SS*.Hα-helixtrans-47.8-45.7-175.4178.7-100.5000113.2F28 Q32 R33F28-F30 PolarHBondContact O-N 3.06Å; F30-Q32 VanDerWaalsContact C-N 3.26Å; F30-Q32 PolarHBondContact O-N 3.31Å; F30-R33 PolarHBondContact O-N 2.89Å
31F91Very high95.1Very high162 Ų16257.9 Ų57.971%0.71129%0.286SS*.Hα-helixtrans-70.1-15.6-179.5-57.8-70.4000114.9S29S29-F31 PolarHBondContact O-N 3.48Å; S29-F31 VanDerWaalsContact O-N 3.1Å
32Q91.1Very high95.1Very high69 Ų6958 Ų5832%0.32228%0.28SS..Hα-helixtrans-96.6-20.6179.4-64170.9-21.900112.3S29 F30 N34 S35 V36 F187S29-Q32 WeakPolarHBondContact O-CA 3.33Å; S29-Q32 WeakPolarHBondContact O-CB 3.38Å; S29-Q32 PolarHBondContact O-N 2.97Å; S29-Q32 PolarHBondContact OG-OE1 3.07Å; F30-Q32 VanDerWaalsContact C-N 3.26Å; F30-Q32 PolarHBondContact O-N 3.31Å; Q32-N34 VanDerWaalsContact C-N 3.31Å; Q32-N34 PolarHBondContact O-N 3.2Å; Q32-S35 WeakPolarHBondContact O-CA 3.48Å; Q32-S35 WeakPolarHBondContact O-CB 3.47Å; Q32-S35 PolarHBondContact O-N 2.87Å; Q32-V36 HydrophobicContact CB-CG2 4.49Å; Q32-V36 WeakPolarHBondContact O-CG2 3.42Å; Q32-V36 PolarHBondContact O-N 3.42Å; Q32-F187 HydrophobicContact CB-CE2 4.11Å; Q32-F187 HydrophobicContact CB-CZ 4.09Å; Q32-F187 HydrophobicContact CG-CD2 4.05Å; Q32-F187 HydrophobicContact CG-CE2 3.58Å; Q32-F187 HydrophobicContact CG-CZ 4.06Å
33R94.7Very high95Very high87 Ų8757.6 Ų57.633%0.32828%0.277SS..Hα-helixtrans-54.3-44.3-172.4-67.4178.8-176.3170.1-1.3112.7L25 Q26 F28 S29 F30 S35 V36 R37L25-R33 HydrophobicContact CB-CB 4.17Å; L25-R33 HydrophobicContact CB-CG 3.91Å; L25-R33 HydrophobicContact CD1-CB 4.17Å; L25-R33 WeakPolarHBondContact CD1-O 3.4Å; L25-R33 PolarHBondContact O-NE 3.29Å; L25-R33 VanDerWaalsContact O-NE 3.08Å; Q26-R33 PolarHBondContact O-NH2 3.1Å; F28-R33 HydrophobicContact CB-CG 4.18Å; F28-R33 PolarHBondContact O-NE 3Å; F28-R33 PolarHBondContact O-NH2 2.97Å; S29-R33 WeakPolarHBondContact O-CG 3.48Å; S29-R33 PolarHBondContact O-N 3.08Å; F30-R33 PolarHBondContact O-N 2.89Å; R33-S35 VanDerWaalsContact C-N 3.33Å; R33-S35 PolarHBondContact O-N 2.76Å; R33-V36 PolarHBondContact O-N 2.99Å; R33-R37 WeakPolarHBondContact O-CB 3.44Å; R33-R37 PolarHBondContact O-N 3.38Å
34N95.5Very high95Very high54 Ų5455.4 Ų55.429%0.28927%0.268SS..Hα-helixtrans-63.3-41.5178.4-177.357000112Q32 R37 Q38Q32-N34 VanDerWaalsContact C-N 3.31Å; Q32-N34 PolarHBondContact O-N 3.2Å; N34-R37 WeakPolarHBondContact O-CB 3.46Å; N34-R37 PolarHBondContact O-N 3.05Å; N34-R37 PolarHBondContact OD1-NH2 2.96Å; N34-Q38 PolarHBondContact ND2-NE2 3.18Å; N34-Q38 WeakPolarHBondContact O-CG 3.45Å; N34-Q38 PolarHBondContact O-N 3.01Å
35S95.5Very high94.9Very high2 Ų255.5 Ų55.51%0.01427%0.267CS..Hα-helixtrans-65-43.1177.8-52.80000112.5Q32 R33 Q38 F39 S184Q32-S35 WeakPolarHBondContact O-CA 3.48Å; Q32-S35 WeakPolarHBondContact O-CB 3.47Å; Q32-S35 PolarHBondContact O-N 2.87Å; R33-S35 VanDerWaalsContact C-N 3.33Å; R33-S35 PolarHBondContact O-N 2.76Å; S35-Q38 PolarHBondContact O-N 3.21Å; S35-F39 WeakPolarHBondContact O-CB 3.48Å; S35-F39 PolarHBondContact O-N 2.96Å; S35-S184 VanDerWaalsContact CA-OG 3.28Å; S35-S184 WeakPolarHBondContact CA-OG 3.33Å; S35-S184 PolarHBondContact OG-OG 2.93Å
36V95.3Very high94.9Very high13 Ų1355 Ų558%0.07926%0.264CS..Hα-helixtrans-61.7-45.8176.2174.90000110.7L25 F28 Q32 R33 Q38 F39 M40 F187L25-V36 HydrophobicContact CD2-CG1 3.8Å; F28-V36 HydrophobicContact CD1-CG1 4.27Å; F28-V36 HydrophobicContact CD1-CG2 3.73Å; F28-V36 HydrophobicContact CD2-CG1 4.19Å; F28-V36 HydrophobicContact CE1-CG1 4.02Å; F28-V36 HydrophobicContact CE1-CG2 4.05Å; F28-V36 HydrophobicContact CE2-CG1 3.94Å; F28-V36 HydrophobicContact CG-CG1 4.34Å; F28-V36 HydrophobicContact CG-CG2 4.09Å; F28-V36 HydrophobicContact CZ-CG1 3.85Å; Q32-V36 HydrophobicContact CB-CG2 4.49Å; Q32-V36 WeakPolarHBondContact O-CG2 3.42Å; Q32-V36 PolarHBondContact O-N 3.42Å; R33-V36 PolarHBondContact O-N 2.99Å; V36-Q38 PolarHBondContact O-N 2.9Å; V36-F39 PolarHBondContact O-N 2.96Å; V36-M40 HydrophobicContact CG1-CE 3.52Å; V36-M40 HydrophobicContact CG1-CG 4.47Å; V36-M40 HydrophobicContact CG1-SD 4.08Å; V36-M40 WeakPolarHBondContact O-CG 3.34Å; V36-M40 PolarHBondContact O-N 3.29Å; V36-F187 HydrophobicContact CG2-CE1 3.87Å; V36-F187 HydrophobicContact CG2-CZ 4.25Å
37R96.8Very high95Very high112 Ų11247.8 Ų47.842%0.42323%0.231SC..Hα-helixtrans-55.5-51.7174.9-176.7-179.564143.3-0.8111.8F23 L25 R33 N34 F39 M40 V41F23-R37 HydrophobicContact CD1-CB 4.48Å; F23-R37 HydrophobicContact CD1-CG 3.85Å; F23-R37 HydrophobicContact CD2-CG 3.79Å; F23-R37 HydrophobicContact CE1-CG 3.81Å; F23-R37 HydrophobicContact CE2-CG 3.75Å; F23-R37 HydrophobicContact CG-CG 3.85Å; F23-R37 HydrophobicContact CZ-CG 3.77Å; L25-R37 HydrophobicContact CD1-CB 3.82Å; R33-R37 WeakPolarHBondContact O-CB 3.44Å; R33-R37 PolarHBondContact O-N 3.38Å; N34-R37 WeakPolarHBondContact O-CB 3.46Å; N34-R37 PolarHBondContact O-N 3.05Å; N34-R37 PolarHBondContact OD1-NH2 2.96Å; R37-F39 VanDerWaalsContact C-N 3.27Å; R37-F39 PolarHBondContact O-N 3.1Å; R37-M40 PolarHBondContact O-N 3.25Å; R37-V41 WeakPolarHBondContact O-CG2 3.48Å; R37-V41 PolarHBondContact O-N 2.83Å
38Q96.8Very high95.2Very high35 Ų3543.8 Ų43.816%0.16420%0.203CC..Hα-helixtrans-60.4-39.5-179.7-73.8-177.70.500111.4N34 S35 V36 V41 F42 L180 N181 S184N34-Q38 PolarHBondContact ND2-NE2 3.18Å; N34-Q38 WeakPolarHBondContact O-CG 3.45Å; N34-Q38 PolarHBondContact O-N 3.01Å; S35-Q38 PolarHBondContact O-N 3.21Å; V36-Q38 PolarHBondContact O-N 2.9Å; Q38-V41 PolarHBondContact O-N 3.12Å; Q38-F42 WeakPolarHBondContact O-CB 3.48Å; Q38-F42 PolarHBondContact O-N 3.06Å; Q38-L180 HydrophobicContact CB-CD2 3.71Å; Q38-N181 PolarHBondContact NE2-ND2 3.43Å; Q38-N181 VanDerWaalsContact OE1-N 3.13Å; Q38-S184 VanDerWaalsContact OE1-CB 3.32Å; Q38-S184 PolarHBondContact OE1-OG 3.34Å
39F95.6Very high95.4Very high43 Ų4345.7 Ų45.719%0.18921%0.212CC..Hα-helixtrans-70.3-36.3178.1-167.5-100.9000113.6S35 V36 R37 F42 T43 V174 Y188S35-F39 WeakPolarHBondContact O-CB 3.48Å; S35-F39 PolarHBondContact O-N 2.96Å; V36-F39 PolarHBondContact O-N 2.96Å; R37-F39 VanDerWaalsContact C-N 3.27Å; R37-F39 PolarHBondContact O-N 3.1Å; F39-F42 HydrophobicContact CD2-CD1 4.18Å; F39-F42 HydrophobicContact CE2-CD1 4.04Å; F39-F42 HydrophobicContact CE2-CE1 4.32Å; F39-F42 PolarHBondContact O-N 3.35Å; F39-T43 WeakPolarHBondContact CE1-OG1 3.34Å; F39-T43 WeakPolarHBondContact O-CB 3.29Å; F39-T43 PolarHBondContact O-N 3.47Å; F39-T43 PolarHBondContact O-OG1 3.06Å; F39-V174 HydrophobicContact CE2-CG2 3.93Å; F39-Y188 AromaticContact CD2-CD2 3.94Å; F39-Y188 HydrophobicContact CD2-CD2 3.94Å; F39-Y188 HydrophobicContact CD2-CE2 4.35Å; F39-Y188 HydrophobicContact CE1-CE2 4.47Å; F39-Y188 AromaticContact CE2-CD2 3.39Å; F39-Y188 HydrophobicContact CE2-CD2 3.39Å; F39-Y188 AromaticContact CE2-CE2 3.37Å; F39-Y188 HydrophobicContact CE2-CE2 3.37Å; F39-Y188 HydrophobicContact CE2-CG 4.28Å; F39-Y188 AromaticContact CZ-CD2 3.77Å; F39-Y188 HydrophobicContact CZ-CD2 3.77Å; F39-Y188 AromaticContact CZ-CE2 3.45Å; F39-Y188 HydrophobicContact CZ-CE2 3.45Å; F39-Y188 VanDerWaalsContact CZ-CE2 3.45Å
40M96.9Very high95.5Very high13 Ų1345.9 Ų45.96%0.06420%0.202CC..Hα-helixtrans-62.4-43.5172.4-72.9173175.200111.1F4 A5 F23 L25 F28 V36 R37 G44 L78 V80F4-M40 HydrophobicContact CB-CE 3.58Å; F4-M40 HydrophobicContact CB-SD 4.36Å; F4-M40 HydrophobicContact CG-CE 4.16Å; A5-M40 HydrophobicContact CB-SD 3.81Å; F23-M40 HydrophobicContact CD1-SD 4.16Å; F23-M40 HydrophobicContact CE1-CB 4.25Å; L25-M40 HydrophobicContact CD2-CE 3.84Å; L25-M40 HydrophobicContact CD2-SD 3.89Å; F28-M40 HydrophobicContact CE2-CE 4.34Å; F28-M40 HydrophobicContact CZ-CE 4.36Å; V36-M40 HydrophobicContact CG1-CE 3.52Å; V36-M40 HydrophobicContact CG1-CG 4.47Å; V36-M40 HydrophobicContact CG1-SD 4.08Å; V36-M40 WeakPolarHBondContact O-CG 3.34Å; V36-M40 PolarHBondContact O-N 3.29Å; R37-M40 PolarHBondContact O-N 3.25Å; M40-G44 PolarHBondContact O-N 3.45Å; M40-L78 WeakPolarHBondContact O-CD2 3.31Å; M40-V80 HydrophobicContact CB-CG2 4.39Å; M40-V80 HydrophobicContact CE-CG1 4.13Å; M40-V80 HydrophobicContact CG-CG1 4.45Å; M40-V80 HydrophobicContact CG-CG2 4.28Å
41V97Very high95.6Very high22 Ų2239.4 Ų39.413%0.13318%0.175CC..Hα-helixtrans-64.5-46176.1173.90000111.2F9 F18 F23 R37 Q38 G44 K45F9-V41 HydrophobicContact CE1-CG1 4.12Å; F18-V41 HydrophobicContact CB-CG1 4.09Å; F18-V41 HydrophobicContact CD2-CG1 3.79Å; F18-V41 HydrophobicContact CD2-CG2 4.16Å; F18-V41 HydrophobicContact CE2-CG1 4.37Å; F18-V41 HydrophobicContact CE2-CG2 3.9Å; F18-V41 HydrophobicContact CG-CG1 3.95Å; F18-V41 HydrophobicContact CZ-CG2 4.37Å; F23-V41 HydrophobicContact CE1-CG2 4Å; F23-V41 HydrophobicContact CZ-CG2 3.57Å; R37-V41 WeakPolarHBondContact O-CG2 3.48Å; R37-V41 PolarHBondContact O-N 2.83Å; Q38-V41 PolarHBondContact O-N 3.12Å; V41-G44 PolarHBondContact O-N 3.5Å; V41-K45 PolarHBondContact O-N 2.95Å
42F96.5Very high95.7Very high24 Ų2433.6 Ų33.611%0.10516%0.16CC..Hα-helixtrans-57.9-50.2176.9166.5-99.1000111.9Q38 F39 G44 K45 L46 L170 L173 V174 L180Q38-F42 WeakPolarHBondContact O-CB 3.48Å; Q38-F42 PolarHBondContact O-N 3.06Å; F39-F42 HydrophobicContact CD2-CD1 4.18Å; F39-F42 HydrophobicContact CE2-CD1 4.04Å; F39-F42 HydrophobicContact CE2-CE1 4.32Å; F39-F42 PolarHBondContact O-N 3.35Å; F42-G44 VanDerWaalsContact C-N 3.28Å; F42-G44 PolarHBondContact O-N 2.9Å; F42-K45 PolarHBondContact O-N 3.41Å; F42-L46 PolarHBondContact O-N 3.46Å; F42-L170 HydrophobicContact CE1-CD1 3.86Å; F42-L170 HydrophobicContact CZ-CD1 4.34Å; F42-L173 HydrophobicContact CE2-CB 4.49Å; F42-L173 HydrophobicContact CZ-CB 3.89Å; F42-V174 HydrophobicContact CD1-CG2 4.3Å; F42-V174 HydrophobicContact CE1-CG2 3.6Å; F42-V174 HydrophobicContact CZ-CG2 3.9Å; F42-L180 HydrophobicContact CB-CD1 4.46Å; F42-L180 HydrophobicContact CB-CD2 4.03Å; F42-L180 HydrophobicContact CB-CG 4.36Å; F42-L180 HydrophobicContact CD1-CD1 4.41Å; F42-L180 HydrophobicContact CD2-CD1 4.32Å; F42-L180 HydrophobicContact CG-CD1 4.13Å; F42-L180 HydrophobicContact CG-CG 4.46Å
43T96.4Very high96Very high5 Ų534.3 Ų34.33%0.03117%0.166CC..Hα-helixtrans-60.9-40.2177.7-59.30000111F39 L46 I47 I160F39-T43 WeakPolarHBondContact CE1-OG1 3.34Å; F39-T43 WeakPolarHBondContact O-CB 3.29Å; F39-T43 PolarHBondContact O-N 3.47Å; F39-T43 PolarHBondContact O-OG1 3.06Å; T43-L46 PolarHBondContact O-N 2.82Å; T43-I47 HydrophobicContact CG2-CD1 3.71Å; T43-I47 HydrophobicContact CG2-CG1 4.37Å; T43-I47 VanDerWaalsContact O-CG1 3.24Å; T43-I47 WeakPolarHBondContact O-CG1 3.29Å; T43-I47 PolarHBondContact O-N 2.86Å; T43-I160 HydrophobicContact CG2-CD1 4.04Å
44G97.3Very high96Very high0 Ų034.2 Ų34.20%018%0.176CC..Hα-helixtrans-56.6-52.2172.800000113.5M40 V41 F42 L46 I47 V48M40-G44 PolarHBondContact O-N 3.45Å; V41-G44 PolarHBondContact O-N 3.5Å; F42-G44 VanDerWaalsContact C-N 3.28Å; F42-G44 PolarHBondContact O-N 2.9Å; G44-L46 VanDerWaalsContact C-N 3.35Å; G44-L46 PolarHBondContact O-N 2.87Å; G44-I47 PolarHBondContact O-N 3.19Å; G44-V48 WeakPolarHBondContact O-CB 3.49Å; G44-V48 VanDerWaalsContact O-CG2 3.26Å; G44-V48 WeakPolarHBondContact O-CG2 3.44Å; G44-V48 PolarHBondContact O-N 3.24Å
45K96.1Very high96Very high29 Ų2932.7 Ų32.713%0.12617%0.169CC..Hα-helixtrans-56.5-50176.9-72.5-175.6178.2176.50111.1F9 A16 V41 F42 I47 V48 E49 E115F9-K45 HydrophobicContact CD1-CG 3.8Å; F9-K45 HydrophobicContact CE1-CG 3.63Å; A16-K45 HydrophobicContact CB-CB 4.19Å; A16-K45 HydrophobicContact CB-CG 4.27Å; V41-K45 PolarHBondContact O-N 2.95Å; F42-K45 PolarHBondContact O-N 3.41Å; K45-I47 PolarHBondContact O-N 3.32Å; K45-V48 PolarHBondContact O-N 3.49Å; K45-E49 WeakPolarHBondContact O-CB 3.43Å; K45-E49 VanDerWaalsContact O-CG 3.26Å; K45-E49 WeakPolarHBondContact O-CG 3.07Å; K45-E49 PolarHBondContact O-N 3.16Å; K45-E115 IonicContact NZ-OE1 3.97Å; K45-E115 PolarHBondContact NZ-OE1 2.98Å; K45-E115 IonicContact NZ-OE2 3.43Å; K45-E115 PolarHBondContact NZ-OE2 3.01Å
46L96.4Very high96Very high6 Ų634.2 Ų34.23%0.03117%0.174CC..Hα-helixtrans-56.5-49.5179.9177.361.5000111.4F42 T43 G44 V48 E49 R50 I160 L164 L170 L173F42-L46 PolarHBondContact O-N 3.46Å; T43-L46 PolarHBondContact O-N 2.82Å; G44-L46 VanDerWaalsContact C-N 3.35Å; G44-L46 PolarHBondContact O-N 2.87Å; L46-V48 PolarHBondContact O-N 2.89Å; L46-E49 PolarHBondContact O-N 2.83Å; L46-R50 HydrophobicContact CD1-CG 4.16Å; L46-R50 VanDerWaalsContact O-CG 3.29Å; L46-R50 WeakPolarHBondContact O-CG 3.24Å; L46-R50 PolarHBondContact O-N 3.09Å; L46-R50 VanDerWaalsContact O-N 3.1Å; L46-I160 HydrophobicContact CD2-CD1 4.17Å; L46-I160 HydrophobicContact CD2-CG1 4.43Å; L46-L164 HydrophobicContact CD1-CD2 4.13Å; L46-L164 HydrophobicContact CD2-CD2 3.79Å; L46-L164 HydrophobicContact CG-CD2 4.39Å; L46-L170 HydrophobicContact CD2-CD1 3.79Å; L46-L173 HydrophobicContact CD1-CD1 3.96Å; L46-L173 HydrophobicContact CD2-CD1 4.27Å
47I97.1Very high96.1Very high0 Ų033.6 Ų33.60%017%0.171CC..Hα-helixtrans-64.8-43.2-179.9-62.4165.2000111T43 G44 K45 E49 R50 S51 V59 C66 V68 I160 V163T43-I47 HydrophobicContact CG2-CD1 3.71Å; T43-I47 HydrophobicContact CG2-CG1 4.37Å; T43-I47 VanDerWaalsContact O-CG1 3.24Å; T43-I47 WeakPolarHBondContact O-CG1 3.29Å; T43-I47 PolarHBondContact O-N 2.86Å; G44-I47 PolarHBondContact O-N 3.19Å; K45-I47 PolarHBondContact O-N 3.32Å; I47-E49 PolarHBondContact O-N 2.93Å; I47-R50 PolarHBondContact O-N 3.16Å; I47-S51 VanDerWaalsContact O-CB 3.3Å; I47-S51 WeakPolarHBondContact O-CB 3.48Å; I47-S51 PolarHBondContact O-N 3.45Å; I47-S51 PolarHBondContact O-OG 3.38Å; I47-V59 HydrophobicContact CB-CG2 4.49Å; I47-V59 HydrophobicContact CD1-CB 3.75Å; I47-V59 HydrophobicContact CD1-CG1 4.16Å; I47-V59 HydrophobicContact CD1-CG2 3.71Å; I47-V59 HydrophobicContact CG1-CB 4.34Å; I47-V59 HydrophobicContact CG1-CG1 4.48Å; I47-V59 HydrophobicContact CG1-CG2 3.9Å; I47-V59 HydrophobicContact CG2-CG2 3.71Å; I47-C66 HydrophobicContact CD1-CB 3.51Å; I47-V68 HydrophobicContact CB-CG2 4.02Å; I47-V68 HydrophobicContact CG2-CB 3.89Å; I47-V68 HydrophobicContact CG2-CG1 4.3Å; I47-V68 HydrophobicContact CG2-CG2 3.54Å; I47-I160 HydrophobicContact CD1-CD1 4.14Å; I47-I160 HydrophobicContact CG1-CD1 3.84Å; I47-V163 HydrophobicContact CG1-CG1 4.45Å
48V97.2Very high96.2Very high0 Ų028.9 Ų28.90%015%0.154CC..Hα-helixtrans-61.2-43.9177.7169.40000110.9F9 K11 A16 G44 K45 L46 R50 S51 V68 V70F9-V48 HydrophobicContact CB-CG2 4.48Å; F9-V48 HydrophobicContact CD2-CG2 4.32Å; F9-V48 HydrophobicContact CG-CG2 4.47Å; K11-V48 HydrophobicContact CB-CG1 3.67Å; K11-V48 HydrophobicContact CD-CG1 4.25Å; K11-V48 WeakPolarHBondContact CD-O 3.27Å; K11-V48 HydrophobicContact CG-CG1 4Å; K11-V48 PolarHBondContact NZ-O 3.36Å; A16-V48 HydrophobicContact CB-CB 4.25Å; A16-V48 HydrophobicContact CB-CG1 3.93Å; G44-V48 WeakPolarHBondContact O-CB 3.49Å; G44-V48 VanDerWaalsContact O-CG2 3.26Å; G44-V48 WeakPolarHBondContact O-CG2 3.44Å; G44-V48 PolarHBondContact O-N 3.24Å; K45-V48 PolarHBondContact O-N 3.49Å; L46-V48 PolarHBondContact O-N 2.89Å; V48-R50 PolarHBondContact O-N 3.21Å; V48-S51 PolarHBondContact O-N 3.46Å; V48-V68 HydrophobicContact CG2-CG1 3.7Å; V48-V70 HydrophobicContact CG1-CG2 4.29Å
49E95.6Very high96.2Very high67 Ų6727.2 Ų27.231%0.31315%0.147SC..Hα-helixtrans-61.8-40.3179-76.8168.4179.500112.6K11 A16 K45 L46 I47K11-E49 VanDerWaalsContact NZ-C 3.28Å; K11-E49 PolarHBondContact NZ-O 3.16Å; A16-E49 HydrophobicContact CB-CG 3.62Å; A16-E49 PolarHBondContact N-OE1 2.89Å; K45-E49 WeakPolarHBondContact O-CB 3.43Å; K45-E49 VanDerWaalsContact O-CG 3.26Å; K45-E49 WeakPolarHBondContact O-CG 3.07Å; K45-E49 PolarHBondContact O-N 3.16Å; L46-E49 PolarHBondContact O-N 2.83Å; I47-E49 PolarHBondContact O-N 2.93Å
50R94.8Very high96.2Very high75 Ų7530.4 Ų30.428%0.28316%0.157SC..Hα-helixtrans-86.8-13.9-178.5-54.5-55.4171.3140.514.8113.8L46 I47 V48 V163 E165 E168L46-R50 HydrophobicContact CD1-CG 4.16Å; L46-R50 VanDerWaalsContact O-CG 3.29Å; L46-R50 WeakPolarHBondContact O-CG 3.24Å; L46-R50 PolarHBondContact O-N 3.09Å; L46-R50 VanDerWaalsContact O-N 3.1Å; I47-R50 PolarHBondContact O-N 3.16Å; V48-R50 PolarHBondContact O-N 3.21Å; R50-V163 HydrophobicContact CB-CG1 3.53Å; R50-V163 HydrophobicContact CG-CG1 3.88Å; R50-V163 WeakPolarHBondContact CG-O 3.4Å; R50-E165 IonicContact CZ-OE1 2.92Å; R50-E165 VanDerWaalsContact NH1-CG 3.32Å; R50-E165 IonicContact NH1-OE1 2.76Å; R50-E165 PolarHBondContact NH1-OE1 3.06Å; R50-E165 IonicContact NH1-OE2 3.52Å; R50-E165 PolarHBondContact NH1-OE2 3.09Å; R50-E168 IonicContact CZ-OE1 3.65Å; R50-E168 IonicContact CZ-OE2 2.73Å; R50-E168 IonicContact NH1-OE1 3.14Å; R50-E168 PolarHBondContact NH1-OE1 3.25Å; R50-E168 IonicContact NH1-OE2 2.66Å; R50-E168 PolarHBondContact NH1-OE2 2.75Å; R50-E168 VanDerWaalsContact NH2-CD 3.3Å; R50-E168 IonicContact NH2-OE1 3.98Å; R50-E168 PolarHBondContact NH2-OE1 2.84Å; R50-E168 IonicContact NH2-OE2 2.81Å; R50-E168 PolarHBondContact NH2-OE2 3.03Å
51S94.6Very high96Very high9 Ų931.2 Ų31.26%0.06316%0.161CC..SBendtrans-76.1148.5176-64.60000112K11 I47 V48K11-S51 WeakPolarHBondContact CE-O 3.38Å; K11-S51 PolarHBondContact NZ-O 2.97Å; I47-S51 VanDerWaalsContact O-CB 3.3Å; I47-S51 WeakPolarHBondContact O-CB 3.48Å; I47-S51 PolarHBondContact O-N 3.45Å; I47-S51 PolarHBondContact O-OG 3.38Å; V48-S51 PolarHBondContact O-N 3.46Å
52G93.4Very high95.5Very high40 Ų4034 Ų3441%0.41217%0.173SC..  trans-71177.9170.300000113.1T55G52-T55 VanDerWaalsContact C-OG1 3.28Å; G52-T55 WeakPolarHBondContact CA-OG1 3.33Å; G52-T55 VanDerWaalsContact O-CB 3.26Å; G52-T55 WeakPolarHBondContact O-CB 3.24Å; G52-T55 PolarHBondContact O-OG1 3.22Å
53I95.9Very high95.2Very high85 Ų8538.2 Ų38.244%0.43620%0.196SC..SBendtrans-126.5129.4175.6-61.6163000108.8K11 V70 R71 S74K11-I53 HydrophobicContact CD-CD1 3.8Å; K11-I53 HydrophobicContact CD-CG1 3.7Å; I53-V70 HydrophobicContact CB-CG1 4.47Å; I53-V70 HydrophobicContact CG1-CG1 3.71Å; I53-R71 WeakPolarHBondContact CG2-O 3.24Å; I53-S74 WeakPolarHBondContact CD1-OG 3.49Å
54P95.3Very high95.1Very high84 Ų8441.4 Ų41.455%0.54521%0.208SC..SBendcis-69.5152.4-22.732.6-34.4000110.5V70P54-V70 CarbonylContact C-O 3.56Å; P54-V70 VanDerWaalsContact CA-O 3.25Å; P54-V70 WeakPolarHBondContact CA-O 3.16Å
55T95.6Very high95.1Very high23 Ų2343 Ų4314%0.14122%0.216CC..EExtended strand (participates in β ladder)trans-153.8143.2177.3-71.20000111.3G52 A57 V70 I155G52-T55 VanDerWaalsContact C-OG1 3.28Å; G52-T55 WeakPolarHBondContact CA-OG1 3.33Å; G52-T55 VanDerWaalsContact O-CB 3.26Å; G52-T55 WeakPolarHBondContact O-CB 3.24Å; G52-T55 PolarHBondContact O-OG1 3.22Å; T55-A57 HydrophobicContact CG2-CB 4.42Å; T55-V70 PolarHBondContact N-O 3.44Å; T55-V70 PolarHBondContact O-N 2.95Å; T55-I155 HydrophobicContact CG2-CD1 3.88Å
56R96.6Very high95.2Very high33 Ų3341.9 Ų41.913%0.12521%0.212CC..EExtended strand (participates in β ladder)trans-113.5127.5164.6-69.2175.6-174.5-88.51.1108.9V68 Y69 H91 S95 V154 I155R56-V68 CarbonylContact C-O 3.55Å; R56-V68 WeakPolarHBondContact CA-O 3.27Å; R56-Y69 HydrophobicContact CG-CD2 3.44Å; R56-Y69 VanDerWaalsContact CG-CD2 3.44Å; R56-Y69 HydrophobicContact CG-CE2 4.07Å; R56-Y69 HydrophobicContact CG-CG 4.03Å; R56-Y69 VanDerWaalsContact NH2-CZ 3.34Å; R56-H91 PolarHBondContact NH1-O 3.04Å; R56-S95 VanDerWaalsContact CZ-OG 3.3Å; R56-S95 PolarHBondContact NH1-OG 3.34Å; R56-S95 VanDerWaalsContact NH1-OG 3.07Å; R56-S95 PolarHBondContact NH2-OG 2.75Å; R56-V154 HydrophobicContact CB-CG2 4.34Å; R56-I155 WeakPolarHBondContact O-CB 3.46Å; R56-I155 PolarHBondContact O-N 2.82Å
57A96.7Very high95.3Very high0 Ų041.8 Ų41.80%021%0.211CC..EExtended strand (participates in β ladder)trans-129.1145.6-177.500000110.7T55 H67 V68 H91 I155T55-A57 HydrophobicContact CG2-CB 4.42Å; A57-H67 CarbonylContact O-C 3.58Å; A57-H67 WeakPolarHBondContact O-CA 3.4Å; A57-V68 PolarHBondContact N-O 3.3Å; A57-V68 PolarHBondContact O-N 2.91Å; A57-H91 PolarHBondContact O-CE1 3.11Å; A57-H91 VanDerWaalsContact O-CE1 3.3Å; A57-I155 CarbonylContact C-O 3.49Å; A57-I155 WeakPolarHBondContact CA-O 3.42Å
58T97.7Very high95.3Very high13 Ų1341.8 Ų41.88%0.0821%0.211CC..EExtended strand (participates in β ladder)trans-119.9132.1162.3-62.30000107.7M65 C66 H67 H91 V154 I155 L156 H157T58-M65 HydrophobicContact CG2-SD 4.29Å; T58-C66 CarbonylContact C-O 3.53Å; T58-C66 WeakPolarHBondContact CA-O 3.32Å; T58-H67 WeakPolarHBondContact CG2-ND1 3.34Å; T58-H67 PolarHBondContact OG1-ND1 3.45Å; T58-H91 PolarHBondContact OG1-NE2 3.35Å; T58-V154 WeakPolarHBondContact OG1-CG1 3.29Å; T58-I155 PolarHBondContact N-O 3.23Å; T58-L156 HydrophobicContact CG2-CD1 4.02Å; T58-H157 PolarHBondContact O-N 3.11Å
59V97.8Very high95.3Very high1 Ų143.8 Ų43.81%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-128.4127.3-177.4-172.70000108.6I47 C66 H157 I160 V163I47-V59 HydrophobicContact CB-CG2 4.49Å; I47-V59 HydrophobicContact CD1-CB 3.75Å; I47-V59 HydrophobicContact CD1-CG1 4.16Å; I47-V59 HydrophobicContact CD1-CG2 3.71Å; I47-V59 HydrophobicContact CG1-CB 4.34Å; I47-V59 HydrophobicContact CG1-CG1 4.48Å; I47-V59 HydrophobicContact CG1-CG2 3.9Å; I47-V59 HydrophobicContact CG2-CG2 3.71Å; V59-C66 HydrophobicContact CB-CB 4.36Å; V59-C66 PolarHBondContact N-O 2.79Å; V59-C66 PolarHBondContact O-N 2.81Å; V59-H157 WeakPolarHBondContact CA-O 3.31Å; V59-H157 HydrophobicContact CG1-CB 4.43Å; V59-H157 HydrophobicContact CG2-CB 4.05Å; V59-I160 VanDerWaalsContact CG1-CA 3.46Å; V59-I160 HydrophobicContact CG1-CB 4.1Å; V59-I160 HydrophobicContact CG1-CD1 3.84Å; V59-V163 HydrophobicContact CB-CG2 4.36Å; V59-V163 HydrophobicContact CG1-CG2 3.68Å; V59-V163 HydrophobicContact CG2-CG2 3.72Å
60R95.7Very high95.4Very high109 Ų10940.6 Ų40.641%0.41120%0.204SC..EExtended strand (participates in β ladder)trans-90.5133.6175.9-168.9178.6-179166.92.6111Q62 Y64 M65 N158 T159 I160R60-Q62 WeakPolarHBondContact CG-O 3.45Å; R60-Q62 PolarHBondContact NE-O 2.88Å; R60-Y64 WeakPolarHBondContact CA-O 3.43Å; R60-M65 HydrophobicContact CB-CE 4.39Å; R60-M65 HydrophobicContact CB-SD 3.85Å; R60-M65 HydrophobicContact CG-CE 3.94Å; R60-M65 HydrophobicContact CG-SD 3.86Å; R60-N158 VanDerWaalsContact CB-O 3.28Å; R60-N158 WeakPolarHBondContact CB-O 3.4Å; R60-T159 CarbonylContact O-C 3.37Å; R60-T159 WeakPolarHBondContact O-CA 3.46Å; R60-I160 PolarHBondContact O-N 2.87Å
61E91.7Very high95.5Very high30 Ų3038.5 Ų38.514%0.1420%0.196CC..EExtended strand (participates in β ladder)trans-129.8106.3164174.453.9-161.600108.1D63 Y64 I160E61-D63 PolarHBondContact O-N 3Å; E61-Y64 PolarHBondContact N-O 2.8Å; E61-Y64 WeakPolarHBondContact O-CB 3.38Å; E61-Y64 PolarHBondContact O-N 2.81Å; E61-I160 HydrophobicContact CB-CB 4.45Å; E61-I160 WeakPolarHBondContact OE2-CG2 3.3Å
62Q87.8Confident95.6Very high81 Ų8142.6 Ų42.638%0.37923%0.225SC..THydrogen-bonded Turntrans56.7-120.3-174-55.1170.511.900111R60 Y64 N195R60-Q62 WeakPolarHBondContact CG-O 3.45Å; R60-Q62 PolarHBondContact NE-O 2.88Å; Q62-Y64 VanDerWaalsContact C-N 3.34Å; Q62-N195 PolarHBondContact NE2-ND2 3.22Å; Q62-N195 PolarHBondContact OE1-ND2 3.48Å; Q62-N195 VanDerWaalsContact OE1-ND2 3.15Å
63D89.7Confident95.7Very high112 Ų11242.5 Ų42.560%0.59922%0.215SC*.THydrogen-bonded Turntrans-90.80.9179-59.9-40.9000113.3E61 A83E61-D63 PolarHBondContact O-N 3Å; D63-A83 PolarHBondContact O-N 2.93Å
64Y94.9Very high95.8Very high73 Ų7339.5 Ų39.529%0.28620%0.201SC..EExtended strand (participates in β ladder)trans-99.7142-179.7-54.8-82.2000111.4F4 F28 R60 E61 Q62 T81F4-Y64 AromaticContact CD2-CD1 3.98Å; F4-Y64 HydrophobicContact CD2-CD1 3.98Å; F4-Y64 HydrophobicContact CD2-CE1 4.17Å; F4-Y64 AromaticContact CE2-CD1 3.69Å; F4-Y64 HydrophobicContact CE2-CD1 3.69Å; F4-Y64 AromaticContact CE2-CE1 3.69Å; F4-Y64 HydrophobicContact CE2-CE1 3.69Å; F4-Y64 HydrophobicContact CZ-CD1 4.41Å; F4-Y64 AromaticContact CZ-CE1 3.95Å; F4-Y64 HydrophobicContact CZ-CE1 3.95Å; F28-Y64 WeakPolarHBondContact CE1-OH 3.46Å; F28-Y64 HydrophobicContact CZ-CE1 4.03Å; R60-Y64 WeakPolarHBondContact CA-O 3.43Å; E61-Y64 PolarHBondContact N-O 2.8Å; E61-Y64 WeakPolarHBondContact O-CB 3.38Å; E61-Y64 PolarHBondContact O-N 2.81Å; Q62-Y64 VanDerWaalsContact C-N 3.34Å; Y64-T81 CarbonylContact C-O 3.49Å; Y64-T81 VanDerWaalsContact CA-O 3.32Å; Y64-T81 WeakPolarHBondContact CA-O 3.39Å
65M97.3Very high95.9Very high32 Ų3235.5 Ų35.516%0.15818%0.176CC..EExtended strand (participates in β ladder)trans-110.3126.8171.3-62.9-67.1-179.400109.1T58 R60 V80 T81 A83T58-M65 HydrophobicContact CG2-SD 4.29Å; R60-M65 HydrophobicContact CB-CE 4.39Å; R60-M65 HydrophobicContact CB-SD 3.85Å; R60-M65 HydrophobicContact CG-CE 3.94Å; R60-M65 HydrophobicContact CG-SD 3.86Å; M65-V80 CarbonylContact O-C 3.57Å; M65-V80 WeakPolarHBondContact O-CA 3.17Å; M65-T81 PolarHBondContact N-O 3.47Å; M65-T81 PolarHBondContact O-N 3.15Å; M65-A83 HydrophobicContact CE-CB 3.83Å; M65-A83 HydrophobicContact CG-CB 4.42Å
66C98.1Very high96Very high6 Ų634.4 Ų34.44%0.04117%0.169CC..EExtended strand (participates in β ladder)trans-105.6107.6173.9-63.90000108.4I47 T58 V59 L78I47-C66 HydrophobicContact CD1-CB 3.51Å; T58-C66 CarbonylContact C-O 3.53Å; T58-C66 WeakPolarHBondContact CA-O 3.32Å; V59-C66 HydrophobicContact CB-CB 4.36Å; V59-C66 PolarHBondContact N-O 2.79Å; V59-C66 PolarHBondContact O-N 2.81Å; C66-L78 HydrophobicContact CB-CD1 4.06Å
67H97.6Very high96.1Very high5 Ų532.8 Ų32.82%0.02316%0.163CC..EExtended strand (participates in β ladder)trans-94.7127.9174.7-52.4-73.7000109A57 T58 L78 A79 T81 A90 H91 L94A57-H67 CarbonylContact O-C 3.58Å; A57-H67 WeakPolarHBondContact O-CA 3.4Å; T58-H67 WeakPolarHBondContact CG2-ND1 3.34Å; T58-H67 PolarHBondContact OG1-ND1 3.45Å; H67-L78 CarbonylContact O-C 3.58Å; H67-L78 VanDerWaalsContact O-CA 3.32Å; H67-L78 WeakPolarHBondContact O-CA 3.38Å; H67-A79 HydrophobicContact CB-CB 4.33Å; H67-A79 PolarHBondContact N-O 3.25Å; H67-A79 PolarHBondContact O-N 3.01Å; H67-T81 PolarHBondContact NE2-OG1 3.38Å; H67-A90 HydrophobicContact CB-CB 4.19Å; H67-A90 VanDerWaalsContact CD2-CB 3.43Å; H67-A90 WeakPolarHBondContact CD2-CB 3.49Å; H67-H91 AromaticContact ND1-NE2 3.72Å; H67-L94 HydrophobicContact CB-CD1 4.2Å; H67-L94 WeakPolarHBondContact O-CD1 3.34Å
68V98.1Very high96.2Very high0 Ų032.9 Ų32.90%016%0.163CC..EExtended strand (participates in β ladder)trans-125.3139.4179.8170.20000109.9I47 V48 R56 A57 V70 G77 L78 H91I47-V68 HydrophobicContact CB-CG2 4.02Å; I47-V68 HydrophobicContact CG2-CB 3.89Å; I47-V68 HydrophobicContact CG2-CG1 4.3Å; I47-V68 HydrophobicContact CG2-CG2 3.54Å; V48-V68 HydrophobicContact CG2-CG1 3.7Å; R56-V68 CarbonylContact C-O 3.55Å; R56-V68 WeakPolarHBondContact CA-O 3.27Å; A57-V68 PolarHBondContact N-O 3.3Å; A57-V68 PolarHBondContact O-N 2.91Å; V68-V70 HydrophobicContact CG1-CG2 3.89Å; V68-G77 VanDerWaalsContact CA-O 3.27Å; V68-G77 WeakPolarHBondContact CA-O 3.45Å; V68-L78 HydrophobicContact CG2-CD1 3.56Å; V68-H91 PolarHBondContact O-CE1 3.39Å
69Y97.6Very high96.2Very high42 Ų4232.2 Ų32.217%0.16516%0.159CC..EExtended strand (participates in β ladder)trans-125119.1166.1177.3-149.3000109.3R56 R71 S76 G77 L98R56-Y69 HydrophobicContact CG-CD2 3.44Å; R56-Y69 VanDerWaalsContact CG-CD2 3.44Å; R56-Y69 HydrophobicContact CG-CE2 4.07Å; R56-Y69 HydrophobicContact CG-CG 4.03Å; R56-Y69 VanDerWaalsContact NH2-CZ 3.34Å; Y69-R71 HydrophobicContact CD1-CG 4.18Å; Y69-R71 HydrophobicContact CE1-CG 3.48Å; Y69-R71 VanDerWaalsContact CE1-CG 3.48Å; Y69-R71 HydrophobicContact CE2-CG 4.14Å; Y69-R71 VanDerWaalsContact CZ-CG 3.47Å; Y69-S76 CarbonylContact O-C 3.58Å; Y69-S76 WeakPolarHBondContact O-CA 3.43Å; Y69-G77 PolarHBondContact N-O 3.48Å; Y69-G77 PolarHBondContact O-N 3.35Å; Y69-L98 HydrophobicContact CD1-CD1 3.53Å; Y69-L98 HydrophobicContact CE1-CD1 4.07Å; Y69-L98 HydrophobicContact CG-CD1 4.16Å
70V97.6Very high96.2Very high0 Ų032.4 Ų32.40%016%0.16CC..EExtended strand (participates in β ladder)trans-103.7114.2170.5-177.50000108K11 V48 I53 P54 T55 V68K11-V70 HydrophobicContact CB-CG1 4.5Å; K11-V70 HydrophobicContact CD-CG1 3.67Å; V48-V70 HydrophobicContact CG1-CG2 4.29Å; I53-V70 HydrophobicContact CB-CG1 4.47Å; I53-V70 HydrophobicContact CG1-CG1 3.71Å; P54-V70 CarbonylContact C-O 3.56Å; P54-V70 VanDerWaalsContact CA-O 3.25Å; P54-V70 WeakPolarHBondContact CA-O 3.16Å; T55-V70 PolarHBondContact N-O 3.44Å; T55-V70 PolarHBondContact O-N 2.95Å; V68-V70 HydrophobicContact CG1-CG2 3.89Å
71R96.5Very high96.3Very high30 Ų3027.2 Ų27.211%0.11314%0.141CC..  trans-76.7164.9176.7-73.7168.348153.7-9.8111.7I53 Y69 D73 S74 L75 L98 N99 S102I53-R71 WeakPolarHBondContact CG2-O 3.24Å; Y69-R71 HydrophobicContact CD1-CG 4.18Å; Y69-R71 HydrophobicContact CE1-CG 3.48Å; Y69-R71 VanDerWaalsContact CE1-CG 3.48Å; Y69-R71 HydrophobicContact CE2-CG 4.14Å; Y69-R71 VanDerWaalsContact CZ-CG 3.47Å; R71-D73 WeakPolarHBondContact CB-OD1 3.46Å; R71-D73 IonicContact CZ-OD1 3.21Å; R71-D73 IonicContact CZ-OD2 3.06Å; R71-D73 IonicContact NE-OD1 2.76Å; R71-D73 PolarHBondContact NE-OD1 2.79Å; R71-D73 VanDerWaalsContact NE-OD1 3.13Å; R71-D73 IonicContact NE-OD2 3.46Å; R71-D73 IonicContact NH2-OD1 2.68Å; R71-D73 IonicContact NH2-OD2 3.32Å; R71-D73 PolarHBondContact NH2-OD2 2.95Å; R71-D73 PolarHBondContact O-N 3.13Å; R71-S74 WeakPolarHBondContact O-CA 3.15Å; R71-S74 PolarHBondContact O-N 2.95Å; R71-L75 VanDerWaalsContact CB-O 3.27Å; R71-L75 WeakPolarHBondContact CB-O 3.5Å; R71-L75 PolarHBondContact N-O 2.69Å; R71-L98 HydrophobicContact CG-CD1 3.81Å; R71-L98 PolarHBondContact NH1-O 3.3Å; R71-N99 PolarHBondContact NH1-OD1 3.29Å; R71-N99 VanDerWaalsContact NH1-OD1 3.1Å; R71-S102 PolarHBondContact NH1-OG 3.44Å
72S95.8Very high96.5Very high95 Ų9527.1 Ų27.166%0.66414%0.141SC*.THydrogen-bonded Turntrans-58.8-29.717649.20000113.6S74S72-S74 PolarHBondContact O-N 3.4Å
73D96.1Very high96.8Very high39 Ų3925.6 Ų25.621%0.20914%0.142CC..THydrogen-bonded Turntrans-86.29.7175.463.1-6.3000113.8R71 L75 W110 K111R71-D73 WeakPolarHBondContact CB-OD1 3.46Å; R71-D73 IonicContact CZ-OD1 3.21Å; R71-D73 IonicContact CZ-OD2 3.06Å; R71-D73 IonicContact NE-OD1 2.76Å; R71-D73 PolarHBondContact NE-OD1 2.79Å; R71-D73 VanDerWaalsContact NE-OD1 3.13Å; R71-D73 IonicContact NE-OD2 3.46Å; R71-D73 IonicContact NH2-OD1 2.68Å; R71-D73 IonicContact NH2-OD2 3.32Å; R71-D73 PolarHBondContact NH2-OD2 2.95Å; R71-D73 PolarHBondContact O-N 3.13Å; D73-L75 PolarHBondContact O-N 3.26Å; D73-L75 WeakPolarHBondContact OD1-CB 3.3Å; D73-L75 PolarHBondContact OD1-N 3.42Å; D73-W110 HydrophobicContact CB-CH2 4.25Å; D73-K111 WeakPolarHBondContact O-CE 3.3Å
74S97.1Very high97Very high21 Ų2125.9 Ų25.915%0.14714%0.144CC..SBendtrans67.33.7-179-54.20000115.3K11 I53 R71 S72 S76K11-S74 PolarHBondContact N-O 2.91Å; K11-S74 VanDerWaalsContact O-CB 3.3Å; K11-S74 WeakPolarHBondContact O-CB 3.34Å; I53-S74 WeakPolarHBondContact CD1-OG 3.49Å; R71-S74 WeakPolarHBondContact O-CA 3.15Å; R71-S74 PolarHBondContact O-N 2.95Å; S72-S74 PolarHBondContact O-N 3.4Å; S74-S76 PolarHBondContact O-N 3.07Å; S74-S76 PolarHBondContact O-OG 3.39Å; S74-S76 VanDerWaalsContact O-OG 3.11Å
75L97.7Very high97Very high0 Ų022.7 Ų22.70%013%0.131CC..EExtended strand (participates in β ladder)trans-67.2130.6165.7-177.266.4000108.7L19 R71 D73 L98 F101 W110L19-L75 HydrophobicContact CD1-CD1 3.83Å; R71-L75 VanDerWaalsContact CB-O 3.27Å; R71-L75 WeakPolarHBondContact CB-O 3.5Å; R71-L75 PolarHBondContact N-O 2.69Å; D73-L75 PolarHBondContact O-N 3.26Å; D73-L75 WeakPolarHBondContact OD1-CB 3.3Å; D73-L75 PolarHBondContact OD1-N 3.42Å; L75-L98 HydrophobicContact CD2-CB 4.23Å; L75-L98 HydrophobicContact CD2-CD2 4.16Å; L75-L98 HydrophobicContact CG-CD2 4Å; L75-F101 HydrophobicContact CD1-CD1 3.9Å; L75-F101 HydrophobicContact CD1-CE1 3.83Å; L75-F101 HydrophobicContact CD2-CD1 3.83Å; L75-W110 HydrophobicContact CB-CE3 4.41Å; L75-W110 HydrophobicContact CB-CH2 3.95Å; L75-W110 HydrophobicContact CB-CZ2 4.47Å; L75-W110 HydrophobicContact CB-CZ3 3.9Å; L75-W110 HydrophobicContact CD1-CD2 4.15Å; L75-W110 HydrophobicContact CD1-CE3 4.1Å; L75-W110 HydrophobicContact CD1-CZ3 4.45Å
76S98.1Very high96.7Very high0 Ų023.6 Ų23.60%014%0.14CC..EExtended strand (participates in β ladder)trans-134.3145.8-168.9-54.80000111.7L8 F9 Y69 S74L8-S76 WeakPolarHBondContact CA-O 3.43Å; F9-S76 PolarHBondContact N-O 2.76Å; F9-S76 WeakPolarHBondContact O-CA 3.48Å; F9-S76 PolarHBondContact O-N 3.24Å; Y69-S76 CarbonylContact O-C 3.58Å; Y69-S76 WeakPolarHBondContact O-CA 3.43Å; S74-S76 PolarHBondContact O-N 3.07Å; S74-S76 PolarHBondContact O-OG 3.39Å; S74-S76 VanDerWaalsContact O-OG 3.11Å
77G98.2Very high96.4Very high0 Ų024.7 Ų24.70%015%0.152CC..EExtended strand (participates in β ladder)trans-127.5146.6178.900000111.5A7 V68 Y69A7-G77 CarbonylContact O-C 3.49Å; A7-G77 WeakPolarHBondContact O-CA 3.47Å; V68-G77 VanDerWaalsContact CA-O 3.27Å; V68-G77 WeakPolarHBondContact CA-O 3.45Å; Y69-G77 PolarHBondContact N-O 3.48Å; Y69-G77 PolarHBondContact O-N 3.35Å
78L98.6Very high96Very high1 Ų132 Ų321%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-121.5135.2173.9174.674.6000109.4L6 A7 F9 M40 C66 H67 V68 V80L6-L78 WeakPolarHBondContact CA-O 3.48Å; A7-L78 HydrophobicContact CB-CB 4.3Å; A7-L78 HydrophobicContact CB-CD2 4.32Å; A7-L78 PolarHBondContact N-O 3.49Å; A7-L78 PolarHBondContact O-N 2.97Å; F9-L78 HydrophobicContact CD2-CB 4.36Å; F9-L78 HydrophobicContact CE2-CB 3.6Å; F9-L78 HydrophobicContact CE2-CD2 4.13Å; F9-L78 HydrophobicContact CZ-CD2 4.25Å; M40-L78 WeakPolarHBondContact O-CD2 3.31Å; C66-L78 HydrophobicContact CB-CD1 4.06Å; H67-L78 CarbonylContact O-C 3.58Å; H67-L78 VanDerWaalsContact O-CA 3.32Å; H67-L78 WeakPolarHBondContact O-CA 3.38Å; V68-L78 HydrophobicContact CG2-CD1 3.56Å; L78-V80 HydrophobicContact CD1-CG2 4.16Å; L78-V80 HydrophobicContact CD2-CG2 3.75Å; L78-V80 HydrophobicContact CG-CG2 3.9Å
79A98.2Very high95.6Very high0 Ų033 Ų330%019%0.19CC..EExtended strand (participates in β ladder)trans-120.8128.2162.400000109L3 A5 L6 H67 A90 L94L3-A79 HydrophobicContact CD1-CB 4.05Å; A5-A79 WeakPolarHBondContact O-CA 3.44Å; L6-A79 HydrophobicContact CD2-CB 3.76Å; H67-A79 HydrophobicContact CB-CB 4.33Å; H67-A79 PolarHBondContact N-O 3.25Å; H67-A79 PolarHBondContact O-N 3.01Å; A79-A90 HydrophobicContact CB-CB 4.37Å; A79-L94 HydrophobicContact CB-CD1 4.31Å; A79-L94 HydrophobicContact CB-CD2 4.08Å; A79-L94 HydrophobicContact CB-CG 4.24Å
80V98.4Very high95.5Very high4 Ų431 Ų312%0.02418%0.182CC..EExtended strand (participates in β ladder)trans-108.4123.8174.7-175.30000108.8F4 A5 M40 M65 L78F4-V80 HydrophobicContact CB-CB 4.49Å; F4-V80 HydrophobicContact CB-CG1 4.46Å; F4-V80 HydrophobicContact CD2-CG1 4.43Å; F4-V80 PolarHBondContact N-O 3.24Å; A5-V80 HydrophobicContact CB-CB 4.08Å; A5-V80 HydrophobicContact CB-CG2 4.14Å; A5-V80 PolarHBondContact N-O 3.31Å; A5-V80 PolarHBondContact O-N 3.36Å; M40-V80 HydrophobicContact CB-CG2 4.39Å; M40-V80 HydrophobicContact CE-CG1 4.13Å; M40-V80 HydrophobicContact CG-CG1 4.45Å; M40-V80 HydrophobicContact CG-CG2 4.28Å; M65-V80 CarbonylContact O-C 3.57Å; M65-V80 WeakPolarHBondContact O-CA 3.17Å; L78-V80 HydrophobicContact CD1-CG2 4.16Å; L78-V80 HydrophobicContact CD2-CG2 3.75Å; L78-V80 HydrophobicContact CG-CG2 3.9Å
81T97.5Very high95.3Very high0 Ų031.1 Ų31.10%018%0.182CC..EExtended strand (participates in β ladder)trans-132172.9-177.6700000111.2K2 L3 Y64 M65 H67 Y85K2-T81 CarbonylContact O-C 3.54Å; K2-T81 WeakPolarHBondContact O-CA 3.46Å; K2-T81 WeakPolarHBondContact O-CB 3.38Å; L3-T81 HydrophobicContact CD1-CG2 3.55Å; Y64-T81 CarbonylContact C-O 3.49Å; Y64-T81 VanDerWaalsContact CA-O 3.32Å; Y64-T81 WeakPolarHBondContact CA-O 3.39Å; M65-T81 PolarHBondContact N-O 3.47Å; M65-T81 PolarHBondContact O-N 3.15Å; H67-T81 PolarHBondContact NE2-OG1 3.38Å; T81-Y85 VanDerWaalsContact CB-CB 3.47Å; T81-Y85 HydrophobicContact CG2-CD1 3.61Å; T81-Y85 HydrophobicContact CG2-CD2 4.29Å; T81-Y85 HydrophobicContact CG2-CE1 4.22Å; T81-Y85 HydrophobicContact CG2-CG 3.65Å
82D95.7Very high95Very high29 Ų2930 Ų3016%0.15518%0.178CC..EExtended strand (participates in β ladder)trans-77.6170.1158.262.118.9000111.1M1 K2 F4 D84 Y85M1-D82 VanDerWaalsContact CA-CG 3.45Å; M1-D82 WeakPolarHBondContact CA-OD1 3.47Å; M1-D82 WeakPolarHBondContact CA-OD2 3.33Å; M1-D82 PolarHBondContact N-OD2 2.89Å; K2-D82 PolarHBondContact N-OD1 2.82Å; K2-D82 PolarHBondContact N-OD2 2.96Å; K2-D82 PolarHBondContact O-N 2.91Å; K2-D82 VanDerWaalsContact O-N 3.07Å; F4-D82 HydrophobicContact CE2-CB 4.08Å; D82-D84 PolarHBondContact O-N 3.04Å; D82-D84 PolarHBondContact OD1-N 2.72Å; D82-Y85 PolarHBondContact O-N 3.06Å; D82-Y85 PolarHBondContact OD1-N 3.07Å; D82-Y85 VanDerWaalsContact OD1-N 3.13Å
83A94Very high94.8Very high48 Ų4825.5 Ų25.540%0.39715%0.147SC..THydrogen-bonded Turntrans-65-23.6-178.400000114.4D63 M65D63-A83 PolarHBondContact O-N 2.93Å; M65-A83 HydrophobicContact CE-CB 3.83Å; M65-A83 HydrophobicContact CG-CB 4.42Å
84D93.8Very high94.7Very high118 Ų11823.6 Ų23.663%0.63114%0.137SC*.THydrogen-bonded Turntrans-82.2-16.5-178.9-61.5-33000112.7M1 D82M1-D84 HydrophobicContact CB-CB 4.45Å; M1-D84 HydrophobicContact CG-CB 3.54Å; D82-D84 PolarHBondContact O-N 3.04Å; D82-D84 PolarHBondContact OD1-N 2.72Å
85Y94.3Very high94.5Very high7 Ų723.3 Ų23.33%0.02714%0.135CC..SBendtrans-68.3129.7179.5-166.4-81.7000110.8L3 T81 D82 G87 V89 A90 Y133 P136L3-Y85 HydrophobicContact CB-CD2 4.37Å; L3-Y85 HydrophobicContact CB-CE2 3.97Å; T81-Y85 VanDerWaalsContact CB-CB 3.47Å; T81-Y85 HydrophobicContact CG2-CD1 3.61Å; T81-Y85 HydrophobicContact CG2-CD2 4.29Å; T81-Y85 HydrophobicContact CG2-CE1 4.22Å; T81-Y85 HydrophobicContact CG2-CG 3.65Å; D82-Y85 PolarHBondContact O-N 3.06Å; D82-Y85 PolarHBondContact OD1-N 3.07Å; D82-Y85 VanDerWaalsContact OD1-N 3.13Å; Y85-G87 PolarHBondContact O-N 3.49Å; Y85-V89 HydrophobicContact CE1-CB 4.13Å; Y85-V89 HydrophobicContact CE1-CG1 4.1Å; Y85-A90 HydrophobicContact CD1-CB 4.18Å; Y85-A90 HydrophobicContact CE1-CB 3.97Å; Y85-Y133 WeakPolarHBondContact CE2-O 3.45Å; Y85-Y133 PolarHBondContact OH-O 2.77Å; Y85-P136 HydrophobicContact CE2-CB 4.47Å
86P92.1Very high94.2Very high51 Ų5124.9 Ų24.933%0.33114%0.141SC..  trans-63113.4-176.2-23.834.1000112.9K88 V89 A90 P136P86-K88 PolarHBondContact O-N 3.44Å; P86-V89 HydrophobicContact CB-CB 4.2Å; P86-V89 HydrophobicContact CB-CG2 3.84Å; P86-V89 HydrophobicContact CG-CG2 4.42Å; P86-V89 WeakPolarHBondContact O-CB 3.32Å; P86-V89 PolarHBondContact O-N 3.43Å; P86-A90 PolarHBondContact O-N 2.88Å; P86-A90 VanDerWaalsContact O-N 3.15Å; P86-P136 HydrophobicContact CG-CB 4.01Å; P86-P136 HydrophobicContact CG-CG 4.14Å
87G91.6Very high94Very high29 Ų2924.9 Ų24.930%0.29914%0.141SC..Hα-helixtrans-57.7-33.9-177.800000114.1Y85 V89 A90 H91Y85-G87 PolarHBondContact O-N 3.49Å; G87-V89 VanDerWaalsContact C-N 3.34Å; G87-V89 PolarHBondContact O-N 2.98Å; G87-A90 PolarHBondContact O-N 3.2Å; G87-H91 PolarHBondContact O-CD2 2.8Å; G87-H91 VanDerWaalsContact O-CD2 3.29Å; G87-H91 PolarHBondContact O-N 2.86Å
88K89Confident93.9Very high159 Ų15924.9 Ų24.969%0.69114%0.141SC*.Hα-helixtrans-61.3-42.3174.4-174.3176.7179.3-178.20111.6P86 H91 N92P86-K88 PolarHBondContact O-N 3.44Å; K88-H91 PolarHBondContact O-N 2.83Å; K88-N92 WeakPolarHBondContact O-CB 3.25Å; K88-N92 PolarHBondContact O-N 3.08Å; K88-N92 PolarHBondContact O-ND2 2.97Å; K88-N92 PolarHBondContact O-OD1 3.06Å
89V90.9Very high93.7Very high20 Ų2029 Ų2912%0.12116%0.163CC..Hα-helixtrans-65.3-42.2177.8178.10000110.3Y85 P86 G87 N92 L93 Y133 P136 A139Y85-V89 HydrophobicContact CE1-CB 4.13Å; Y85-V89 HydrophobicContact CE1-CG1 4.1Å; P86-V89 HydrophobicContact CB-CB 4.2Å; P86-V89 HydrophobicContact CB-CG2 3.84Å; P86-V89 HydrophobicContact CG-CG2 4.42Å; P86-V89 WeakPolarHBondContact O-CB 3.32Å; P86-V89 PolarHBondContact O-N 3.43Å; G87-V89 VanDerWaalsContact C-N 3.34Å; G87-V89 PolarHBondContact O-N 2.98Å; V89-N92 PolarHBondContact O-N 2.98Å; V89-L93 VanDerWaalsContact O-CB 3.3Å; V89-L93 WeakPolarHBondContact O-CB 3.42Å; V89-L93 PolarHBondContact O-N 2.71Å; V89-Y133 HydrophobicContact CG1-CD1 4.16Å; V89-Y133 HydrophobicContact CG1-CE1 4.48Å; V89-P136 HydrophobicContact CB-CB 4.43Å; V89-P136 HydrophobicContact CG1-CB 4.1Å; V89-P136 HydrophobicContact CG2-CB 4.19Å; V89-A139 HydrophobicContact CG1-CB 4.11Å
90A93.6Very high93.5Very high0 Ų031.7 Ų31.70%018%0.177CC..Hα-helixtrans-61.7-47.2176.600000112.1H67 A79 Y85 P86 G87 N92 L93 L94H67-A90 HydrophobicContact CB-CB 4.19Å; H67-A90 VanDerWaalsContact CD2-CB 3.43Å; H67-A90 WeakPolarHBondContact CD2-CB 3.49Å; A79-A90 HydrophobicContact CB-CB 4.37Å; Y85-A90 HydrophobicContact CD1-CB 4.18Å; Y85-A90 HydrophobicContact CE1-CB 3.97Å; P86-A90 PolarHBondContact O-N 2.88Å; P86-A90 VanDerWaalsContact O-N 3.15Å; G87-A90 PolarHBondContact O-N 3.2Å; A90-N92 PolarHBondContact O-N 3.23Å; A90-L93 WeakPolarHBondContact O-CB 3.37Å; A90-L93 PolarHBondContact O-N 2.72Å; A90-L94 WeakPolarHBondContact O-CG 3.45Å; A90-L94 PolarHBondContact O-N 2.82Å
91H93.4Very high93.5Very high3 Ų331.5 Ų31.51%0.01418%0.176CC..Hα-helixtrans-65.7-37.5178.6-84-68000113.2R56 A57 T58 H67 V68 G87 K88 L94 S95 V154R56-H91 PolarHBondContact NH1-O 3.04Å; A57-H91 PolarHBondContact O-CE1 3.11Å; A57-H91 VanDerWaalsContact O-CE1 3.3Å; T58-H91 PolarHBondContact OG1-NE2 3.35Å; H67-H91 AromaticContact ND1-NE2 3.72Å; V68-H91 PolarHBondContact O-CE1 3.39Å; G87-H91 PolarHBondContact O-CD2 2.8Å; G87-H91 VanDerWaalsContact O-CD2 3.29Å; G87-H91 PolarHBondContact O-N 2.86Å; K88-H91 PolarHBondContact O-N 2.83Å; H91-L94 PolarHBondContact O-N 3Å; H91-S95 PolarHBondContact O-N 2.94Å; H91-S95 VanDerWaalsContact O-N 3.15Å; H91-S95 PolarHBondContact O-OG 2.89Å; H91-S95 VanDerWaalsContact O-OG 3.06Å; H91-V154 WeakPolarHBondContact NE2-CG1 3.27Å
92N90.3Very high93.4Very high6 Ų633.3 Ų33.33%0.03219%0.188CC..Hα-helixtrans-66.5-42.3175.5-72.6-9000111.8K88 V89 A90 L94 S95 R96 L149K88-N92 WeakPolarHBondContact O-CB 3.25Å; K88-N92 PolarHBondContact O-N 3.08Å; K88-N92 PolarHBondContact O-ND2 2.97Å; K88-N92 PolarHBondContact O-OD1 3.06Å; V89-N92 PolarHBondContact O-N 2.98Å; A90-N92 PolarHBondContact O-N 3.23Å; N92-L94 VanDerWaalsContact C-N 3.32Å; N92-L94 PolarHBondContact O-N 2.82Å; N92-S95 WeakPolarHBondContact O-CB 3.26Å; N92-S95 PolarHBondContact O-N 2.82Å; N92-R96 PolarHBondContact O-N 2.81Å; N92-L149 HydrophobicContact CB-CD1 4.35Å; N92-L149 WeakPolarHBondContact ND2-CD1 3.32Å
93L92Very high93.4Very high0 Ų036.4 Ų36.40%021%0.212CC..Hα-helixtrans-57.1-46.5173.1170.158.8000111L3 L6 V89 A90 S95 R96 L97 Y129 Y133L3-L93 HydrophobicContact CD2-CD2 3.85Å; L6-L93 HydrophobicContact CD1-CD2 4.02Å; L6-L93 HydrophobicContact CD2-CD2 3.74Å; L6-L93 HydrophobicContact CD2-CG 4.29Å; L6-L93 HydrophobicContact CG-CD2 4.47Å; V89-L93 VanDerWaalsContact O-CB 3.3Å; V89-L93 WeakPolarHBondContact O-CB 3.42Å; V89-L93 PolarHBondContact O-N 2.71Å; A90-L93 WeakPolarHBondContact O-CB 3.37Å; A90-L93 PolarHBondContact O-N 2.72Å; L93-S95 VanDerWaalsContact C-N 3.33Å; L93-S95 PolarHBondContact O-N 3.33Å; L93-R96 PolarHBondContact O-N 3.48Å; L93-L97 VanDerWaalsContact O-CB 3.27Å; L93-L97 WeakPolarHBondContact O-CB 3.5Å; L93-L97 PolarHBondContact O-N 2.85Å; L93-Y129 HydrophobicContact CD1-CD1 3.49Å; L93-Y129 VanDerWaalsContact CD1-CD1 3.49Å; L93-Y129 HydrophobicContact CD1-CE1 4.15Å; L93-Y129 HydrophobicContact CD1-CG 4.07Å; L93-Y133 HydrophobicContact CB-CD1 3.86Å; L93-Y133 HydrophobicContact CB-CE1 3.82Å; L93-Y133 HydrophobicContact CD1-CD1 3.83Å; L93-Y133 HydrophobicContact CD1-CD2 3.83Å; L93-Y133 HydrophobicContact CD1-CE1 3.81Å; L93-Y133 HydrophobicContact CD1-CE2 3.85Å; L93-Y133 HydrophobicContact CD1-CG 3.84Å; L93-Y133 HydrophobicContact CD2-CD1 3.69Å; L93-Y133 HydrophobicContact CD2-CD2 4.48Å; L93-Y133 HydrophobicContact CD2-CE1 4.4Å; L93-Y133 HydrophobicContact CD2-CG 3.74Å; L93-Y133 HydrophobicContact CG-CD1 4Å; L93-Y133 HydrophobicContact CG-CE1 4.22Å; L93-Y133 HydrophobicContact CG-CG 4.27Å
94L95.2Very high93.4Very high0 Ų039.5 Ų39.50%022%0.219CC..Hα-helixtrans-59.2-42.5177.5-68.9176.4000112.2L6 H67 A79 A90 H91 N92 R96 L97 L98L6-L94 HydrophobicContact CD2-CD2 4.49Å; H67-L94 HydrophobicContact CB-CD1 4.2Å; H67-L94 WeakPolarHBondContact O-CD1 3.34Å; A79-L94 HydrophobicContact CB-CD1 4.31Å; A79-L94 HydrophobicContact CB-CD2 4.08Å; A79-L94 HydrophobicContact CB-CG 4.24Å; A90-L94 WeakPolarHBondContact O-CG 3.45Å; A90-L94 PolarHBondContact O-N 2.82Å; H91-L94 PolarHBondContact O-N 3Å; N92-L94 VanDerWaalsContact C-N 3.32Å; N92-L94 PolarHBondContact O-N 2.82Å; L94-R96 VanDerWaalsContact C-N 3.35Å; L94-R96 PolarHBondContact O-N 2.96Å; L94-L97 PolarHBondContact O-N 2.85Å; L94-L98 WeakPolarHBondContact O-CB 3.44Å; L94-L98 VanDerWaalsContact O-CG 3.24Å; L94-L98 WeakPolarHBondContact O-CG 3.49Å; L94-L98 PolarHBondContact O-N 3.02Å
95S92.6Very high93.5Very high14 Ų1435.9 Ų35.910%0.09820%0.198CC..Hα-helixtrans-56.2-49.6176.3-49.80000112R56 H91 N92 L93 N99R56-S95 VanDerWaalsContact CZ-OG 3.3Å; R56-S95 PolarHBondContact NH1-OG 3.34Å; R56-S95 VanDerWaalsContact NH1-OG 3.07Å; R56-S95 PolarHBondContact NH2-OG 2.75Å; H91-S95 PolarHBondContact O-N 2.94Å; H91-S95 VanDerWaalsContact O-N 3.15Å; H91-S95 PolarHBondContact O-OG 2.89Å; H91-S95 VanDerWaalsContact O-OG 3.06Å; N92-S95 WeakPolarHBondContact O-CB 3.26Å; N92-S95 PolarHBondContact O-N 2.82Å; L93-S95 VanDerWaalsContact C-N 3.33Å; L93-S95 PolarHBondContact O-N 3.33Å; S95-N99 WeakPolarHBondContact O-CB 3.15Å; S95-N99 PolarHBondContact O-N 2.96Å; S95-N99 PolarHBondContact O-ND2 3.32Å; S95-N99 PolarHBondContact O-OD1 3.44Å
96R91.2Very high93.4Very high33 Ų3338.8 Ų38.813%0.12522%0.219CC..Hα-helixtrans-63.5-48.9-180-69.1175.5179.4-116.3-8.6111.5N92 L93 L94 L98 N99 D100 M142 T143N92-R96 PolarHBondContact O-N 2.81Å; L93-R96 PolarHBondContact O-N 3.48Å; L94-R96 VanDerWaalsContact C-N 3.35Å; L94-R96 PolarHBondContact O-N 2.96Å; R96-L98 VanDerWaalsContact C-N 3.3Å; R96-L98 PolarHBondContact O-N 3.15Å; R96-N99 PolarHBondContact O-N 3.47Å; R96-N99 VanDerWaalsContact O-N 3.12Å; R96-D100 PolarHBondContact O-N 2.97Å; R96-M142 PolarHBondContact NH1-O 3.3Å; R96-M142 PolarHBondContact NH2-O 3.07Å; R96-T143 VanDerWaalsContact NH2-CA 3.33Å
97L94Very high93.5Very high0 Ų039.1 Ų39.10%022%0.222CC..Hα-helixtrans-57.2-45-179.1-175.670.6000111.5L6 L8 L93 L94 F101 F123 L126 Y129L6-L97 HydrophobicContact CB-CD2 4.29Å; L6-L97 HydrophobicContact CD1-CD2 4.46Å; L8-L97 HydrophobicContact CD2-CD2 3.73Å; L8-L97 HydrophobicContact CD2-CG 4.11Å; L93-L97 VanDerWaalsContact O-CB 3.27Å; L93-L97 WeakPolarHBondContact O-CB 3.5Å; L93-L97 PolarHBondContact O-N 2.85Å; L94-L97 PolarHBondContact O-N 2.85Å; L97-F101 VanDerWaalsContact O-CB 3.29Å; L97-F101 WeakPolarHBondContact O-CB 3.41Å; L97-F101 PolarHBondContact O-N 2.99Å; L97-F123 HydrophobicContact CD1-CE1 3.74Å; L97-F123 HydrophobicContact CD1-CZ 4.43Å; L97-L126 HydrophobicContact CD1-CD1 3.63Å; L97-L126 HydrophobicContact CD2-CD1 3.56Å; L97-L126 HydrophobicContact CG-CD1 4.1Å; L97-Y129 HydrophobicContact CD1-CD2 3.54Å; L97-Y129 HydrophobicContact CD1-CE2 4.12Å; L97-Y129 HydrophobicContact CD1-CG 4.1Å
98L95.9Very high93.4Very high0 Ų042.4 Ų42.40%024%0.24CC..Hα-helixtrans-68.8-36.9178.4-64.8-173.3000112.3L8 Y69 R71 L75 L94 R96 S102L8-L98 HydrophobicContact CD2-CD2 3.4Å; Y69-L98 HydrophobicContact CD1-CD1 3.53Å; Y69-L98 HydrophobicContact CE1-CD1 4.07Å; Y69-L98 HydrophobicContact CG-CD1 4.16Å; R71-L98 HydrophobicContact CG-CD1 3.81Å; R71-L98 PolarHBondContact NH1-O 3.3Å; L75-L98 HydrophobicContact CD2-CB 4.23Å; L75-L98 HydrophobicContact CD2-CD2 4.16Å; L75-L98 HydrophobicContact CG-CD2 4Å; L94-L98 WeakPolarHBondContact O-CB 3.44Å; L94-L98 VanDerWaalsContact O-CG 3.24Å; L94-L98 WeakPolarHBondContact O-CG 3.49Å; L94-L98 PolarHBondContact O-N 3.02Å; R96-L98 VanDerWaalsContact C-N 3.3Å; R96-L98 PolarHBondContact O-N 3.15Å; L98-S102 WeakPolarHBondContact O-CB 3.36Å; L98-S102 PolarHBondContact O-N 3.06Å; L98-S102 PolarHBondContact O-OG 2.65Å
99N94.1Very high93.4Very high88 Ų8836.6 Ų36.647%0.47122%0.219SC..Hα-helixtrans-63.9-49.6176.1-71.5-10.3000111.3R71 S95 R96 F101 S102 S103R71-N99 PolarHBondContact NH1-OD1 3.29Å; R71-N99 VanDerWaalsContact NH1-OD1 3.1Å; S95-N99 WeakPolarHBondContact O-CB 3.15Å; S95-N99 PolarHBondContact O-N 2.96Å; S95-N99 PolarHBondContact O-ND2 3.32Å; S95-N99 PolarHBondContact O-OD1 3.44Å; R96-N99 PolarHBondContact O-N 3.47Å; R96-N99 VanDerWaalsContact O-N 3.12Å; N99-F101 VanDerWaalsContact C-N 3.33Å; N99-F101 PolarHBondContact O-N 3.17Å; N99-S102 PolarHBondContact O-N 3.4Å; N99-S102 PolarHBondContact O-OG 3.05Å; N99-S103 PolarHBondContact O-N 3.39Å
100D95Very high93.5Very high56 Ų5635.9 Ų35.930%0.29921%0.214SC..Hα-helixtrans-62.8-38.6177.8-72.6-1.7000112.5R96 S103 Q104 F123 Y129R96-D100 PolarHBondContact O-N 2.97Å; D100-S103 PolarHBondContact O-N 3.43Å; D100-S103 PolarHBondContact O-OG 3.12Å; D100-Q104 WeakPolarHBondContact O-CG 3.47Å; D100-Q104 PolarHBondContact O-N 3.28Å; D100-F123 HydrophobicContact CB-CZ 4.23Å; D100-Y129 WeakPolarHBondContact OD2-CE2 3.42Å; D100-Y129 PolarHBondContact OD2-OH 3.39Å
101F96.6Very high93.5Very high0 Ų040 Ų400%023%0.231CC..Hα-helixtrans-63.8-46.8174.5-178.2-96.6000111.2L8 L19 T20 L75 L97 N99 S103 Q104 F105 W110 I121 F123L8-F101 HydrophobicContact CD1-CB 3.97Å; L8-F101 HydrophobicContact CD1-CD1 4.2Å; L8-F101 HydrophobicContact CD1-CD2 3.28Å; L8-F101 HydrophobicContact CD1-CE2 3.67Å; L8-F101 HydrophobicContact CD1-CG 3.55Å; L8-F101 HydrophobicContact CD1-CZ 4.28Å; L19-F101 HydrophobicContact CD1-CE1 4.17Å; L19-F101 HydrophobicContact CD1-CZ 4.19Å; T20-F101 HydrophobicContact CG2-CE2 4.27Å; L75-F101 HydrophobicContact CD1-CD1 3.9Å; L75-F101 HydrophobicContact CD1-CE1 3.83Å; L75-F101 HydrophobicContact CD2-CD1 3.83Å; L97-F101 VanDerWaalsContact O-CB 3.29Å; L97-F101 WeakPolarHBondContact O-CB 3.41Å; L97-F101 PolarHBondContact O-N 2.99Å; N99-F101 VanDerWaalsContact C-N 3.33Å; N99-F101 PolarHBondContact O-N 3.17Å; F101-S103 VanDerWaalsContact C-N 3.27Å; F101-S103 PolarHBondContact O-N 2.58Å; F101-Q104 PolarHBondContact O-N 2.82Å; F101-F105 AromaticContact CD2-CD2 3.71Å; F101-F105 HydrophobicContact CD2-CD2 3.71Å; F101-F105 HydrophobicContact CD2-CE2 4.14Å; F101-F105 HydrophobicContact CE1-CB 4.44Å; F101-F105 AromaticContact CE2-CD2 3.62Å; F101-F105 HydrophobicContact CE2-CD2 3.62Å; F101-F105 HydrophobicContact CE2-CE2 4.06Å; F101-F105 HydrophobicContact CE2-CG 4.34Å; F101-F105 HydrophobicContact CG-CD2 4.29Å; F101-F105 HydrophobicContact CZ-CB 4.41Å; F101-F105 HydrophobicContact CZ-CD2 4.11Å; F101-F105 HydrophobicContact CZ-CG 4.43Å; F101-F105 PolarHBondContact O-N 3.1Å; F101-W110 HydrophobicContact CE1-CB 4.02Å; F101-W110 AromaticContact CE1-CD1 3.53Å; F101-W110 AromaticContact CE1-CG 3.78Å; F101-W110 HydrophobicContact CE1-CG 3.78Å; F101-W110 HydrophobicContact CZ-CB 4.28Å; F101-W110 HydrophobicContact CZ-CG 4.46Å; F101-I121 HydrophobicContact CE2-CG2 3.69Å; F101-I121 HydrophobicContact CZ-CD1 3.99Å; F101-I121 HydrophobicContact CZ-CG2 4.11Å; F101-F123 HydrophobicContact CB-CE1 4.06Å; F101-F123 HydrophobicContact CB-CZ 4.05Å; F101-F123 HydrophobicContact CD2-CB 4.48Å; F101-F123 AromaticContact CD2-CD1 3.77Å; F101-F123 HydrophobicContact CD2-CD1 3.77Å; F101-F123 HydrophobicContact CD2-CD2 4.38Å; F101-F123 HydrophobicContact CD2-CE1 4.01Å; F101-F123 AromaticContact CD2-CG 3.99Å; F101-F123 HydrophobicContact CD2-CG 3.99Å; F101-F123 HydrophobicContact CD2-CZ 4.41Å
102S95.8Very high93.2Very high38 Ų3840.3 Ų40.327%0.26623%0.234SC..Hα-helixtrans-70-20.7-178.964.50000114.1R71 L98 N99R71-S102 PolarHBondContact NH1-OG 3.44Å; L98-S102 WeakPolarHBondContact O-CB 3.36Å; L98-S102 PolarHBondContact O-N 3.06Å; L98-S102 PolarHBondContact O-OG 2.65Å; N99-S102 PolarHBondContact O-N 3.4Å; N99-S102 PolarHBondContact O-OG 3.05Å
103S95.3Very high92.8Very high94 Ų9446.4 Ų46.466%0.65726%0.262SS*.Hα-helixtrans-79.9-27.7173.969.30000112.5N99 D100 F101N99-S103 PolarHBondContact O-N 3.39Å; D100-S103 PolarHBondContact O-N 3.43Å; D100-S103 PolarHBondContact O-OG 3.12Å; F101-S103 VanDerWaalsContact C-N 3.27Å; F101-S103 PolarHBondContact O-N 2.58Å
104Q95.4Very high92.3Very high113 Ų11348.5 Ų48.553%0.52828%0.276SS..Hα-helixtrans-89.2-36.2177.6-67.8-178.539.600112.9D100 F101D100-Q104 WeakPolarHBondContact O-CG 3.47Å; D100-Q104 PolarHBondContact O-N 3.28Å; F101-Q104 PolarHBondContact O-N 2.82Å
105F94.5Very high91.5Very high43 Ų4353 Ų5319%0.18930%0.297CS..SBendtrans-117.6120.2-176.1-59.5-79000111.7F101 V109 W110 I121 D122 F123F101-F105 AromaticContact CD2-CD2 3.71Å; F101-F105 HydrophobicContact CD2-CD2 3.71Å; F101-F105 HydrophobicContact CD2-CE2 4.14Å; F101-F105 HydrophobicContact CE1-CB 4.44Å; F101-F105 AromaticContact CE2-CD2 3.62Å; F101-F105 HydrophobicContact CE2-CD2 3.62Å; F101-F105 HydrophobicContact CE2-CE2 4.06Å; F101-F105 HydrophobicContact CE2-CG 4.34Å; F101-F105 HydrophobicContact CG-CD2 4.29Å; F101-F105 HydrophobicContact CZ-CB 4.41Å; F101-F105 HydrophobicContact CZ-CD2 4.11Å; F101-F105 HydrophobicContact CZ-CG 4.43Å; F101-F105 PolarHBondContact O-N 3.1Å; F105-V109 HydrophobicContact CD1-CG1 4.39Å; F105-W110 PolarHBondContact O-NE1 3.37Å; F105-I121 HydrophobicContact CD1-CG2 4.12Å; F105-I121 HydrophobicContact CD2-CG2 4.11Å; F105-I121 HydrophobicContact CE1-CG2 3.8Å; F105-I121 HydrophobicContact CE2-CG2 3.79Å; F105-I121 HydrophobicContact CG-CG2 4.27Å; F105-I121 HydrophobicContact CZ-CG2 3.64Å; F105-D122 WeakPolarHBondContact CZ-O 3.39Å; F105-F123 HydrophobicContact CE2-CB 4.17Å; F105-F123 AromaticContact CE2-CD2 3.85Å; F105-F123 HydrophobicContact CE2-CD2 3.85Å; F105-F123 HydrophobicContact CE2-CG 4.26Å
106S93.5Very high90.9Very high67 Ų6757.1 Ų57.147%0.46933%0.333SS..  trans-64.2153.4175.1820000111.6S108 V109 W110S106-S108 PolarHBondContact O-N 3.29Å; S106-S108 VanDerWaalsContact O-N 3.08Å; S106-S108 PolarHBondContact OG-OG 2.84Å; S106-V109 WeakPolarHBondContact O-CB 3.41Å; S106-V109 PolarHBondContact O-N 3.39Å; S106-W110 PolarHBondContact O-NE1 3.35Å
107S92.6Very high90.2Very high58 Ų5860.7 Ų60.741%0.40635%0.351SS..Hα-helixtrans-59.3-23.7-178.867.80000115V109 W110 K111S107-V109 PolarHBondContact O-N 2.92Å; S107-W110 VanDerWaalsContact CA-CE2 3.41Å; S107-W110 VanDerWaalsContact CB-CZ2 3.49Å; S107-W110 PolarHBondContact O-N 2.96Å; S107-K111 WeakPolarHBondContact O-CB 3.34Å; S107-K111 VanDerWaalsContact O-CG 3.27Å; S107-K111 WeakPolarHBondContact O-CG 3.26Å; S107-K111 PolarHBondContact O-N 3.25Å
108S90.4Very high89.5Confident98 Ų9862.4 Ų62.469%0.68536%0.361SS*.Hα-helixtrans-64.3-24.9174.666.90000113.8S106S106-S108 PolarHBondContact O-N 3.29Å; S106-S108 VanDerWaalsContact O-N 3.08Å; S106-S108 PolarHBondContact OG-OG 2.84Å
109V89.7Confident88.6Confident38 Ų3868.5 Ų68.523%0.2339%0.39CS..Hα-helixtrans-79.6-40.9-179178.30000111.3F105 S106 S107 I121F105-V109 HydrophobicContact CD1-CG1 4.39Å; S106-V109 WeakPolarHBondContact O-CB 3.41Å; S106-V109 PolarHBondContact O-N 3.39Å; S107-V109 PolarHBondContact O-N 2.92Å; V109-I121 HydrophobicContact CG1-CD1 4.14Å; V109-I121 HydrophobicContact CG1-CG1 4.24Å
110W92.8Very high88.1Confident5 Ų570.3 Ų70.32%0.01941%0.409CS..Hα-helixtrans-107.2-13.8-171.652.5-103.3000114.8Y10 L19 D73 L75 F101 F105 S106 S107 V112 I121Y10-W110 VanDerWaalsContact CB-O 3.31Å; Y10-W110 WeakPolarHBondContact CB-O 3.43Å; Y10-W110 HydrophobicContact CD2-CE3 4.01Å; Y10-W110 HydrophobicContact CD2-CZ3 4.01Å; Y10-W110 HydrophobicContact CE2-CZ3 4.33Å; L19-W110 HydrophobicContact CD1-CB 3.78Å; L19-W110 HydrophobicContact CD2-CB 4Å; D73-W110 HydrophobicContact CB-CH2 4.25Å; L75-W110 HydrophobicContact CB-CE3 4.41Å; L75-W110 HydrophobicContact CB-CH2 3.95Å; L75-W110 HydrophobicContact CB-CZ2 4.47Å; L75-W110 HydrophobicContact CB-CZ3 3.9Å; L75-W110 HydrophobicContact CD1-CD2 4.15Å; L75-W110 HydrophobicContact CD1-CE3 4.1Å; L75-W110 HydrophobicContact CD1-CZ3 4.45Å; F101-W110 HydrophobicContact CE1-CB 4.02Å; F101-W110 AromaticContact CE1-CD1 3.53Å; F101-W110 AromaticContact CE1-CG 3.78Å; F101-W110 HydrophobicContact CE1-CG 3.78Å; F101-W110 HydrophobicContact CZ-CB 4.28Å; F101-W110 HydrophobicContact CZ-CG 4.46Å; F105-W110 PolarHBondContact O-NE1 3.37Å; S106-W110 PolarHBondContact O-NE1 3.35Å; S107-W110 VanDerWaalsContact CA-CE2 3.41Å; S107-W110 VanDerWaalsContact CB-CZ2 3.49Å; S107-W110 PolarHBondContact O-N 2.96Å; W110-V112 PolarHBondContact O-N 3.44Å; W110-I121 HydrophobicContact CB-CD1 4.34Å
111K93Very high87.8Confident86 Ų8668.1 Ų68.137%0.37440%0.397SS..  trans-8171.2170.8-67.5-170.6174.7178.80111.1Y10 D73 S107Y10-K111 HydrophobicContact CD2-CG 4.2Å; Y10-K111 HydrophobicContact CE1-CB 4.36Å; Y10-K111 HydrophobicContact CE2-CB 4.21Å; Y10-K111 HydrophobicContact CE2-CD 4.38Å; Y10-K111 HydrophobicContact CE2-CG 3.73Å; D73-K111 WeakPolarHBondContact O-CE 3.3Å; S107-K111 WeakPolarHBondContact O-CB 3.34Å; S107-K111 VanDerWaalsContact O-CG 3.27Å; S107-K111 WeakPolarHBondContact O-CG 3.26Å; S107-K111 PolarHBondContact O-N 3.25Å
112V87.1Confident87.5Confident10 Ų1073.8 Ų73.86%0.06143%0.428CS..  trans-89.6147.3-179.8-61.60000111.7Y10 C17 W110 Q117Y10-V112 HydrophobicContact CD1-CG2 4.46Å; Y10-V112 VanDerWaalsContact CD1-O 3.27Å; Y10-V112 WeakPolarHBondContact CD1-O 3.26Å; Y10-V112 WeakPolarHBondContact CE1-O 3.12Å; C17-V112 HydrophobicContact CB-CG2 3.78Å; W110-V112 PolarHBondContact O-N 3.44Å; V112-Q117 HydrophobicContact CB-CB 4.21Å; V112-Q117 HydrophobicContact CG1-CB 4.42Å
113Q82Confident87.4Confident134 Ų13472.3 Ų72.363%0.62642%0.417SS*.SBendtrans-80.3-22.1178.7-63.5-61.7-41.500112.9
114S81Confident87.3Confident43 Ų4371.8 Ų71.830%0.30141%0.411SS..SBendtrans-153.3156.2-179.969.40000110A116 Q117S114-A116 PolarHBondContact O-N 3.41Å; S114-Q117 WeakPolarHBondContact O-CB 3.46Å; S114-Q117 PolarHBondContact O-N 3.23Å
115E78.9Confident87.2Confident94 Ų9467.8 Ų67.844%0.43940%0.397SS..G310 helixtrans-61.1-27.7177-171.9162.1-14800113.1K45 Q117 T118K45-E115 IonicContact NZ-OE1 3.97Å; K45-E115 PolarHBondContact NZ-OE1 2.98Å; K45-E115 IonicContact NZ-OE2 3.43Å; K45-E115 PolarHBondContact NZ-OE2 3.01Å; E115-Q117 PolarHBondContact O-N 2.94Å; E115-T118 VanDerWaalsContact O-CB 3.29Å; E115-T118 WeakPolarHBondContact O-CB 3.46Å; E115-T118 PolarHBondContact O-N 2.9Å; E115-T118 PolarHBondContact O-OG1 3.37Å
116A79.9Confident87.2Confident102 Ų10265.9 Ų65.984%0.84339%0.389SS*.G310 helixtrans-64.9-19.3174.300000113.6S114S114-A116 PolarHBondContact O-N 3.41Å
117Q77.6Confident87.3Confident108 Ų10865.8 Ų65.851%0.50539%0.388SS..G310 helixtrans-95.1-5.4175.9-64.2171.119.400112.4V112 S114 E115 Q119V112-Q117 HydrophobicContact CB-CB 4.21Å; V112-Q117 HydrophobicContact CG1-CB 4.42Å; S114-Q117 WeakPolarHBondContact O-CB 3.46Å; S114-Q117 PolarHBondContact O-N 3.23Å; E115-Q117 PolarHBondContact O-N 2.94Å; Q117-Q119 PolarHBondContact O-N 3.28Å; Q117-Q119 VanDerWaalsContact O-N 3.09Å
118T78.1Confident87.4Confident35 Ų3565.7 Ų65.722%0.21538%0.381CS..  trans-63.2114.2176.8-58.70000109.2L19 E115L19-T118 HydrophobicContact CD2-CG2 4.45Å; E115-T118 VanDerWaalsContact O-CB 3.29Å; E115-T118 WeakPolarHBondContact O-CB 3.46Å; E115-T118 PolarHBondContact O-N 2.9Å; E115-T118 PolarHBondContact O-OG1 3.37Å
119Q77.9Confident87.6Confident128 Ų12862.5 Ų62.560%0.59835%0.354SS*.  trans-70.8155.9170-64.1-179.11.300110Q117 I121Q117-Q119 PolarHBondContact O-N 3.28Å; Q117-Q119 VanDerWaalsContact O-N 3.09Å; Q119-I121 PolarHBondContact O-N 3.23Å
120S81.9Confident87.9Confident126 Ų12661 Ų6188%0.88135%0.345SS*.  trans-65.1112.2169.8-174.20000108.8
121I88.9Confident87.9Confident10 Ų1068.6 Ų68.65%0.05137%0.374CS..  trans-100.5105.4176.9-58.6173.3000108.2L19 F101 F105 V109 W110 Q119 F123L19-I121 HydrophobicContact CB-CD1 4.33Å; L19-I121 HydrophobicContact CD2-CD1 4.39Å; F101-I121 HydrophobicContact CE2-CG2 3.69Å; F101-I121 HydrophobicContact CZ-CD1 3.99Å; F101-I121 HydrophobicContact CZ-CG2 4.11Å; F105-I121 HydrophobicContact CD1-CG2 4.12Å; F105-I121 HydrophobicContact CD2-CG2 4.11Å; F105-I121 HydrophobicContact CE1-CG2 3.8Å; F105-I121 HydrophobicContact CE2-CG2 3.79Å; F105-I121 HydrophobicContact CG-CG2 4.27Å; F105-I121 HydrophobicContact CZ-CG2 3.64Å; V109-I121 HydrophobicContact CG1-CD1 4.14Å; V109-I121 HydrophobicContact CG1-CG1 4.24Å; W110-I121 HydrophobicContact CB-CD1 4.34Å; Q119-I121 PolarHBondContact O-N 3.23Å; I121-F123 PolarHBondContact O-N 2.91Å
122D90.7Very high87.9Confident120 Ų12070.8 Ų70.864%0.64238%0.38SS*.  trans-80.8107.8172.6-174.520.4000109.7F105 P124F105-D122 WeakPolarHBondContact CZ-O 3.39Å; D122-P124 WeakPolarHBondContact OD1-CD 3.18Å; D122-P124 WeakPolarHBondContact OD1-CG 3.32Å
123F94.6Very high88.2Confident7 Ų770.3 Ų70.33%0.03138%0.377CS..  trans-127.976.9178.5-174.6-131.6000110.3L8 T20 L97 D100 F101 F105 I121 A125 L126L8-F123 HydrophobicContact CD1-CD1 4.12Å; L8-F123 HydrophobicContact CD1-CE1 4.27Å; T20-F123 HydrophobicContact CG2-CB 4.39Å; L97-F123 HydrophobicContact CD1-CE1 3.74Å; L97-F123 HydrophobicContact CD1-CZ 4.43Å; D100-F123 HydrophobicContact CB-CZ 4.23Å; F101-F123 HydrophobicContact CB-CE1 4.06Å; F101-F123 HydrophobicContact CB-CZ 4.05Å; F101-F123 HydrophobicContact CD2-CB 4.48Å; F101-F123 AromaticContact CD2-CD1 3.77Å; F101-F123 HydrophobicContact CD2-CD1 3.77Å; F101-F123 HydrophobicContact CD2-CD2 4.38Å; F101-F123 HydrophobicContact CD2-CE1 4.01Å; F101-F123 AromaticContact CD2-CG 3.99Å; F101-F123 HydrophobicContact CD2-CG 3.99Å; F101-F123 HydrophobicContact CD2-CZ 4.41Å; F105-F123 HydrophobicContact CE2-CB 4.17Å; F105-F123 AromaticContact CE2-CD2 3.85Å; F105-F123 HydrophobicContact CE2-CD2 3.85Å; F105-F123 HydrophobicContact CE2-CG 4.26Å; I121-F123 PolarHBondContact O-N 2.91Å; F123-A125 HydrophobicContact CD2-CB 4.18Å; F123-A125 HydrophobicContact CE1-CB 4.39Å; F123-A125 HydrophobicContact CE2-CB 3.73Å; F123-A125 HydrophobicContact CZ-CB 3.84Å; F123-A125 PolarHBondContact O-N 3.41Å; F123-A125 VanDerWaalsContact O-N 3.1Å; F123-L126 HydrophobicContact CD1-CB 3.81Å; F123-L126 HydrophobicContact CE1-CB 4.34Å; F123-L126 VanDerWaalsContact O-CB 3.22Å; F123-L126 WeakPolarHBondContact O-CB 3.38Å; F123-L126 PolarHBondContact O-N 3.46Å
124P93.3Very high88.8Confident82 Ų8265.9 Ų65.953%0.53236%0.356SS..THydrogen-bonded Turntrans-59.3-27.1-173.8-25.534.6000114D122 L126 S127 E128D122-P124 WeakPolarHBondContact OD1-CD 3.18Å; D122-P124 WeakPolarHBondContact OD1-CG 3.32Å; P124-L126 PolarHBondContact O-N 3.06Å; P124-L126 VanDerWaalsContact O-N 3.15Å; P124-S127 PolarHBondContact O-N 3.44Å; P124-S127 VanDerWaalsContact O-N 3.15Å; P124-E128 PolarHBondContact O-N 2.94Å
125A92.6Very high89.2Confident29 Ų2967.1 Ų67.124%0.2436%0.359CS..Hα-helixtrans-55.7-30.1175.800000112.3F123 S127 E128 Y129F123-A125 HydrophobicContact CD2-CB 4.18Å; F123-A125 HydrophobicContact CE1-CB 4.39Å; F123-A125 HydrophobicContact CE2-CB 3.73Å; F123-A125 HydrophobicContact CZ-CB 3.84Å; F123-A125 PolarHBondContact O-N 3.41Å; F123-A125 VanDerWaalsContact O-N 3.1Å; A125-S127 PolarHBondContact O-N 2.89Å; A125-E128 WeakPolarHBondContact O-CB 3.43Å; A125-E128 PolarHBondContact O-N 2.82Å; A125-Y129 HydrophobicContact CB-CD2 4.35Å; A125-Y129 HydrophobicContact CB-CE2 4.41Å; A125-Y129 WeakPolarHBondContact O-CB 3.44Å; A125-Y129 WeakPolarHBondContact O-CD2 3.39Å; A125-Y129 PolarHBondContact O-N 3.25Å
126L95.2Very high89.4Confident3 Ų363.1 Ų63.12%0.01634%0.342CS..Hα-helixtrans-59.3-43.7177.9-171.266000112.7L6 T20 G21 L97 F123 P124 L130L6-L126 HydrophobicContact CB-CD1 3.67Å; L6-L126 HydrophobicContact CB-CG 4.39Å; L6-L126 HydrophobicContact CD1-CD1 4.46Å; T20-L126 HydrophobicContact CG2-CD2 4.09Å; G21-L126 VanDerWaalsContact C-CD2 3.43Å; G21-L126 VanDerWaalsContact CA-CD2 3.47Å; L97-L126 HydrophobicContact CD1-CD1 3.63Å; L97-L126 HydrophobicContact CD2-CD1 3.56Å; L97-L126 HydrophobicContact CG-CD1 4.1Å; F123-L126 HydrophobicContact CD1-CB 3.81Å; F123-L126 HydrophobicContact CE1-CB 4.34Å; F123-L126 VanDerWaalsContact O-CB 3.22Å; F123-L126 WeakPolarHBondContact O-CB 3.38Å; F123-L126 PolarHBondContact O-N 3.46Å; P124-L126 PolarHBondContact O-N 3.06Å; P124-L126 VanDerWaalsContact O-N 3.15Å; L126-L130 WeakPolarHBondContact O-CB 3.45Å; L126-L130 PolarHBondContact O-N 2.94Å
127S95.2Very high89.4Confident66 Ų6666 Ų6646%0.46234%0.335SS..Hα-helixtrans-71.9-33.8177.5-62.90000112S22 P124 A125 L130 R131S22-S127 WeakPolarHBondContact OG-CA 3.33Å; S22-S127 PolarHBondContact OG-OG 3.4Å; P124-S127 PolarHBondContact O-N 3.44Å; P124-S127 VanDerWaalsContact O-N 3.15Å; A125-S127 PolarHBondContact O-N 2.89Å; S127-L130 PolarHBondContact O-N 2.89Å; S127-R131 PolarHBondContact O-N 3.36Å
128E94.1Very high89.1Confident55 Ų5564.7 Ų64.726%0.25734%0.335SS..Hα-helixtrans-64.1-46.2172.9-172.963.8-165.500111.4P124 A125 L130 R131 R132P124-E128 PolarHBondContact O-N 2.94Å; A125-E128 WeakPolarHBondContact O-CB 3.43Å; A125-E128 PolarHBondContact O-N 2.82Å; E128-L130 PolarHBondContact O-N 3.48Å; E128-R131 PolarHBondContact O-N 3.45Å; E128-R131 IonicContact OE1-CZ 3.83Å; E128-R131 IonicContact OE1-NH2 2.85Å; E128-R131 PolarHBondContact OE1-NH2 3.38Å; E128-R131 IonicContact OE2-CZ 3.16Å; E128-R131 IonicContact OE2-NE 3.93Å; E128-R131 IonicContact OE2-NH1 3.54Å; E128-R131 IonicContact OE2-NH2 2.61Å; E128-R131 PolarHBondContact OE2-NH2 2.67Å; E128-R132 HydrophobicContact CG-CG 4.42Å; E128-R132 WeakPolarHBondContact O-CB 3.2Å; E128-R132 WeakPolarHBondContact O-CG 3.48Å; E128-R132 PolarHBondContact O-N 3.23Å; E128-R132 IonicContact OE1-CZ 2.72Å; E128-R132 IonicContact OE1-NE 2.65Å; E128-R132 PolarHBondContact OE1-NE 3.24Å; E128-R132 IonicContact OE1-NH2 3.35Å; E128-R132 PolarHBondContact OE1-NH2 3.34Å
129Y94.7Very high88.4Confident31 Ų3163.1 Ų63.112%0.12233%0.325CS..Hα-helixtrans-57.4-49.2174.2-87.8-63.3000111.2L93 L97 D100 A125 R131 R132 Y133L93-Y129 HydrophobicContact CD1-CD1 3.49Å; L93-Y129 VanDerWaalsContact CD1-CD1 3.49Å; L93-Y129 HydrophobicContact CD1-CE1 4.15Å; L93-Y129 HydrophobicContact CD1-CG 4.07Å; L97-Y129 HydrophobicContact CD1-CD2 3.54Å; L97-Y129 HydrophobicContact CD1-CE2 4.12Å; L97-Y129 HydrophobicContact CD1-CG 4.1Å; D100-Y129 WeakPolarHBondContact OD2-CE2 3.42Å; D100-Y129 PolarHBondContact OD2-OH 3.39Å; A125-Y129 HydrophobicContact CB-CD2 4.35Å; A125-Y129 HydrophobicContact CB-CE2 4.41Å; A125-Y129 WeakPolarHBondContact O-CB 3.44Å; A125-Y129 WeakPolarHBondContact O-CD2 3.39Å; A125-Y129 PolarHBondContact O-N 3.25Å; Y129-R131 VanDerWaalsContact C-N 3.27Å; Y129-R131 PolarHBondContact O-N 3.37Å; Y129-R132 PolarHBondContact O-N 3.46Å; Y129-Y133 AromaticContact CD1-CD2 3.89Å; Y129-Y133 HydrophobicContact CD1-CD2 3.89Å; Y129-Y133 AromaticContact CD1-CE2 3.54Å; Y129-Y133 HydrophobicContact CD1-CE2 3.54Å; Y129-Y133 AromaticContact CE1-CE2 3.87Å; Y129-Y133 HydrophobicContact CE1-CE2 3.87Å; Y129-Y133 WeakPolarHBondContact O-CB 2.97Å; Y129-Y133 WeakPolarHBondContact O-CD2 3.08Å; Y129-Y133 PolarHBondContact O-N 2.93Å
130L95.9Very high87.5Confident8 Ų860.1 Ų60.14%0.04231%0.313CS..Hα-helixtrans-57.9-39.1178.7-179.365.4000112.4L3 L6 S22 D24 L126 S127 E128 Q134L3-L130 HydrophobicContact CB-CD1 4.47Å; L3-L130 HydrophobicContact CD2-CD1 3.84Å; L3-L130 HydrophobicContact CG-CD1 3.67Å; L6-L130 HydrophobicContact CD1-CB 4.02Å; L6-L130 HydrophobicContact CD1-CD1 4.47Å; L6-L130 HydrophobicContact CG-CD1 4.18Å; S22-L130 VanDerWaalsContact OG-CD2 3.24Å; S22-L130 WeakPolarHBondContact OG-CD2 3.5Å; D24-L130 HydrophobicContact CB-CD2 4.17Å; L126-L130 WeakPolarHBondContact O-CB 3.45Å; L126-L130 PolarHBondContact O-N 2.94Å; S127-L130 PolarHBondContact O-N 2.89Å; E128-L130 PolarHBondContact O-N 3.48Å; L130-Q134 WeakPolarHBondContact O-CG 3.41Å; L130-Q134 PolarHBondContact O-NE2 3.49Å; L130-Q134 VanDerWaalsContact O-NE2 3.07Å
131R94.3Very high86.5Confident164 Ų16457.4 Ų57.462%0.61930%0.298SS*.Hα-helixtrans-73-48178.9-171.8-179.270.8-1490112S127 E128 Y129 Y133 Q134S127-R131 PolarHBondContact O-N 3.36Å; E128-R131 PolarHBondContact O-N 3.45Å; E128-R131 IonicContact OE1-CZ 3.83Å; E128-R131 IonicContact OE1-NH2 2.85Å; E128-R131 PolarHBondContact OE1-NH2 3.38Å; E128-R131 IonicContact OE2-CZ 3.16Å; E128-R131 IonicContact OE2-NE 3.93Å; E128-R131 IonicContact OE2-NH1 3.54Å; E128-R131 IonicContact OE2-NH2 2.61Å; E128-R131 PolarHBondContact OE2-NH2 2.67Å; Y129-R131 VanDerWaalsContact C-N 3.27Å; Y129-R131 PolarHBondContact O-N 3.37Å; R131-Y133 VanDerWaalsContact C-N 3.35Å; R131-Y133 PolarHBondContact O-N 2.73Å; R131-Q134 WeakPolarHBondContact O-CB 3.2Å; R131-Q134 WeakPolarHBondContact O-CG 3.19Å; R131-Q134 PolarHBondContact O-N 3.49Å
132R91.6Very high85Confident131 Ų13160.2 Ų60.249%0.49431%0.312SS..Hα-helixtrans-66.8-35.5-177.2-73-172.3-175-172.35.9113E128 Y129 Q134 T138E128-R132 HydrophobicContact CG-CG 4.42Å; E128-R132 WeakPolarHBondContact O-CB 3.2Å; E128-R132 WeakPolarHBondContact O-CG 3.48Å; E128-R132 PolarHBondContact O-N 3.23Å; E128-R132 IonicContact OE1-CZ 2.72Å; E128-R132 IonicContact OE1-NE 2.65Å; E128-R132 PolarHBondContact OE1-NE 3.24Å; E128-R132 IonicContact OE1-NH2 3.35Å; E128-R132 PolarHBondContact OE1-NH2 3.34Å; Y129-R132 PolarHBondContact O-N 3.46Å; R132-Q134 VanDerWaalsContact C-N 3.27Å; R132-Q134 PolarHBondContact O-N 2.95Å; R132-T138 PolarHBondContact O-OG1 3.23Å
133Y93.2Very high83.4Confident1 Ų154.8 Ų54.80%0.00428%0.283CS..THydrogen-bonded Turntrans-88.713.1-179.8-75.3-110.3000112.6Y85 V89 L93 Y129 R131 D135 A139Y85-Y133 WeakPolarHBondContact CE2-O 3.45Å; Y85-Y133 PolarHBondContact OH-O 2.77Å; V89-Y133 HydrophobicContact CG1-CD1 4.16Å; V89-Y133 HydrophobicContact CG1-CE1 4.48Å; L93-Y133 HydrophobicContact CB-CD1 3.86Å; L93-Y133 HydrophobicContact CB-CE1 3.82Å; L93-Y133 HydrophobicContact CD1-CD1 3.83Å; L93-Y133 HydrophobicContact CD1-CD2 3.83Å; L93-Y133 HydrophobicContact CD1-CE1 3.81Å; L93-Y133 HydrophobicContact CD1-CE2 3.85Å; L93-Y133 HydrophobicContact CD1-CG 3.84Å; L93-Y133 HydrophobicContact CD2-CD1 3.69Å; L93-Y133 HydrophobicContact CD2-CD2 4.48Å; L93-Y133 HydrophobicContact CD2-CE1 4.4Å; L93-Y133 HydrophobicContact CD2-CG 3.74Å; L93-Y133 HydrophobicContact CG-CD1 4Å; L93-Y133 HydrophobicContact CG-CE1 4.22Å; L93-Y133 HydrophobicContact CG-CG 4.27Å; Y129-Y133 AromaticContact CD1-CD2 3.89Å; Y129-Y133 HydrophobicContact CD1-CD2 3.89Å; Y129-Y133 AromaticContact CD1-CE2 3.54Å; Y129-Y133 HydrophobicContact CD1-CE2 3.54Å; Y129-Y133 AromaticContact CE1-CE2 3.87Å; Y129-Y133 HydrophobicContact CE1-CE2 3.87Å; Y129-Y133 WeakPolarHBondContact O-CB 2.97Å; Y129-Y133 WeakPolarHBondContact O-CD2 3.08Å; Y129-Y133 PolarHBondContact O-N 2.93Å; R131-Y133 VanDerWaalsContact C-N 3.35Å; R131-Y133 PolarHBondContact O-N 2.73Å; Y133-D135 VanDerWaalsContact C-N 3.26Å; Y133-A139 HydrophobicContact CD1-CB 3.23Å; Y133-A139 HydrophobicContact CD2-CB 4.37Å; Y133-A139 HydrophobicContact CE1-CB 3.25Å; Y133-A139 HydrophobicContact CE2-CB 4.36Å; Y133-A139 HydrophobicContact CG-CB 3.84Å
134Q94.8Very high81.6Confident41 Ų4162.5 Ų62.519%0.19231%0.312CS..THydrogen-bonded Turntrans-61.9-38.5165.5-71.3-60-38.800111.4K2 L3 L130 R131 R132K2-Q134 VanDerWaalsContact CD-OE1 3.26Å; K2-Q134 VanDerWaalsContact CE-OE1 3.24Å; L3-Q134 PolarHBondContact O-NE2 3.45Å; L130-Q134 WeakPolarHBondContact O-CG 3.41Å; L130-Q134 PolarHBondContact O-NE2 3.49Å; L130-Q134 VanDerWaalsContact O-NE2 3.07Å; R131-Q134 WeakPolarHBondContact O-CB 3.2Å; R131-Q134 WeakPolarHBondContact O-CG 3.19Å; R131-Q134 PolarHBondContact O-N 3.49Å; R132-Q134 VanDerWaalsContact C-N 3.27Å; R132-Q134 PolarHBondContact O-N 2.95Å
135D89.7Confident79.6Confident68 Ų6864.2 Ų64.236%0.36432%0.321SS..SBendtrans-97.9112.8170.1-178.11.2000109.8Y133 K137 T138 A139Y133-D135 VanDerWaalsContact C-N 3.26Å; D135-K137 PolarHBondContact O-N 2.86Å; D135-K137 WeakPolarHBondContact OD1-CB 3.28Å; D135-K137 PolarHBondContact OD1-N 2.87Å; D135-T138 HydrophobicContact CB-CG2 4.29Å; D135-T138 WeakPolarHBondContact CB-OG1 3.47Å; D135-T138 PolarHBondContact O-N 2.8Å; D135-T138 PolarHBondContact O-OG1 3.03Å; D135-A139 PolarHBondContact O-N 2.88Å
136P83.5Confident77.8Confident10 Ų1068.3 Ų68.37%0.06534%0.335CS..Hα-helixtrans-63.8-20.8178.426.1-34.4000113.1M1 Y85 P86 V89 A139 D140M1-P136 HydrophobicContact CE-CG 4.21Å; M1-P136 HydrophobicContact SD-CG 4.49Å; Y85-P136 HydrophobicContact CE2-CB 4.47Å; P86-P136 HydrophobicContact CG-CB 4.01Å; P86-P136 HydrophobicContact CG-CG 4.14Å; V89-P136 HydrophobicContact CB-CB 4.43Å; V89-P136 HydrophobicContact CG1-CB 4.1Å; V89-P136 HydrophobicContact CG2-CB 4.19Å; P136-A139 WeakPolarHBondContact O-CB 3.32Å; P136-D140 PolarHBondContact O-N 2.7Å; P136-D140 VanDerWaalsContact O-N 3.16Å
137K80.7Confident75.7Confident164 Ų16474 Ų7471%0.71336%0.361SS*.Hα-helixtrans-75.8-38.9179-62.1179.7179.9178.10112.3D135 A139 D140D135-K137 PolarHBondContact O-N 2.86Å; D135-K137 WeakPolarHBondContact OD1-CB 3.28Å; D135-K137 PolarHBondContact OD1-N 2.87Å; K137-A139 PolarHBondContact O-N 2.8Å; K137-D140 WeakPolarHBondContact O-CB 3.41Å; K137-D140 PolarHBondContact O-N 2.84Å
138T70.9Confident73.5Confident80 Ų8079.6 Ų79.649%0.49138%0.38SS..Hα-helixtrans-67.8-30.6174.651.20000111.6R132 D135R132-T138 PolarHBondContact O-OG1 3.23Å; D135-T138 HydrophobicContact CB-CG2 4.29Å; D135-T138 WeakPolarHBondContact CB-OG1 3.47Å; D135-T138 PolarHBondContact O-N 2.8Å; D135-T138 PolarHBondContact O-OG1 3.03Å
139A63.7Low71.7Confident2 Ų280.5 Ų80.52%0.01739%0.387CS..Hα-helixtrans-67.9-32.6171.900000113.7V89 Y133 D135 P136 K137 A141 M142 T143V89-A139 HydrophobicContact CG1-CB 4.11Å; Y133-A139 HydrophobicContact CD1-CB 3.23Å; Y133-A139 HydrophobicContact CD2-CB 4.37Å; Y133-A139 HydrophobicContact CE1-CB 3.25Å; Y133-A139 HydrophobicContact CE2-CB 4.36Å; Y133-A139 HydrophobicContact CG-CB 3.84Å; D135-A139 PolarHBondContact O-N 2.88Å; P136-A139 WeakPolarHBondContact O-CB 3.32Å; K137-A139 PolarHBondContact O-N 2.8Å; A139-A141 VanDerWaalsContact C-N 3.33Å; A139-A141 PolarHBondContact O-N 3.22Å; A139-M142 PolarHBondContact O-N 3.34Å; A139-T143 PolarHBondContact O-N 2.89Å; A139-T143 VanDerWaalsContact O-N 3.09Å; A139-T143 PolarHBondContact O-OG1 2.81Å
140D58.4Low69.9Low65 Ų6585.9 Ų85.935%0.34842%0.417SS..Hα-helixtrans-67.3-33.3-178-160.533.9000112.2P136 K137 M142 T143 R144P136-D140 PolarHBondContact O-N 2.7Å; P136-D140 VanDerWaalsContact O-N 3.16Å; K137-D140 WeakPolarHBondContact O-CB 3.41Å; K137-D140 PolarHBondContact O-N 2.84Å; D140-M142 PolarHBondContact O-N 3.33Å; D140-T143 CarbonylContact O-C 3.59Å; D140-T143 WeakPolarHBondContact O-CA 3.39Å; D140-T143 PolarHBondContact O-N 3.13Å; D140-R144 WeakPolarHBondContact O-CG 3.39Å; D140-R144 PolarHBondContact O-N 3.46Å
141A60.2Low68.4Low68 Ų6895 Ų9556%0.56246%0.46SS*.Hα-helixtrans-59.2-33.4173.400000113A139 V145A139-A141 VanDerWaalsContact C-N 3.33Å; A139-A141 PolarHBondContact O-N 3.22Å; A141-V145 WeakPolarHBondContact O-CG2 3.45Å
142M58.5Low67.3Low69 Ų6989.7 Ų89.734%0.3445%0.446SS..Hα-helixtrans-78.6-30.3171.8-66.2-177.964.800112.2R96 A139 D140 Q146R96-M142 PolarHBondContact NH1-O 3.3Å; R96-M142 PolarHBondContact NH2-O 3.07Å; A139-M142 PolarHBondContact O-N 3.34Å; D140-M142 PolarHBondContact O-N 3.33Å; M142-Q146 PolarHBondContact O-OE1 3.05Å
143T56.4Low67Low6 Ų692.1 Ų92.14%0.03746%0.46CS..Hα-helixtrans-71.8-45.6-178.1-52.40000111.9R96 A139 D140 V145 Q146 L149R96-T143 VanDerWaalsContact NH2-CA 3.33Å; A139-T143 PolarHBondContact O-N 2.89Å; A139-T143 VanDerWaalsContact O-N 3.09Å; A139-T143 PolarHBondContact O-OG1 2.81Å; D140-T143 CarbonylContact O-C 3.59Å; D140-T143 WeakPolarHBondContact O-CA 3.39Å; D140-T143 PolarHBondContact O-N 3.13Å; T143-V145 PolarHBondContact O-N 2.94Å; T143-Q146 PolarHBondContact O-N 2.81Å; T143-L149 HydrophobicContact CG2-CD1 3.96Å
144R55.8Low66.8Low169 Ų16994.7 Ų94.764%0.63848%0.476SS*.Hα-helixtrans-59.8-29.2179.3-68.8177.7102176.77.9113.9D140 Q146D140-R144 WeakPolarHBondContact O-CG 3.39Å; D140-R144 PolarHBondContact O-N 3.46Å; R144-Q146 PolarHBondContact O-N 3.3Å
145V52.7Low66.6Low118 Ų11896.3 Ų96.372%0.71549%0.485SS*.THydrogen-bonded Turntrans-73.7-13.5179175.70000112.5A141 T143A141-V145 WeakPolarHBondContact O-CG2 3.45Å; T143-V145 PolarHBondContact O-N 2.94Å
146Q53.5Low66.6Low115 Ų11598.4 Ų98.454%0.53750%0.495SS..THydrogen-bonded Turntrans-129.128.1-175.7-80.3142.5-15.400112.6M142 T143 R144 E148M142-Q146 PolarHBondContact O-OE1 3.05Å; T143-Q146 PolarHBondContact O-N 2.81Å; R144-Q146 PolarHBondContact O-N 3.3Å; Q146-E148 VanDerWaalsContact C-N 3.26Å; Q146-E148 PolarHBondContact O-N 3.36Å
147E52.4Low66.7Low122 Ų122100.1 Ų100.157%0.5750%0.503SS*.  trans-7074.5175.5-74.9178.6171.100112.7
148E48.6Very low67.1Low185 Ų18598 Ų9886%0.86450%0.499SS*.  trans-119.452.1136.4-80.3-172.216600107.3Q146 D150Q146-E148 VanDerWaalsContact C-N 3.26Å; Q146-E148 PolarHBondContact O-N 3.36Å; E148-D150 PolarHBondContact O-N 3.49Å; E148-D150 VanDerWaalsContact O-N 3.16Å
149L55.8Low68.2Low74 Ų7497.3 Ų97.339%0.38749%0.494SS..  trans-83.494.6174.1-65.3177.8000107.5N92 T143N92-L149 HydrophobicContact CB-CD1 4.35Å; N92-L149 WeakPolarHBondContact ND2-CD1 3.32Å; T143-L149 HydrophobicContact CG2-CD1 3.96Å
150D57.3Low69.6Low143 Ų14397.5 Ų97.577%0.76550%0.495SS*.  trans-35.1143.4165-73.1-33.9000111.1E148 T152E148-D150 PolarHBondContact O-N 3.49Å; E148-D150 VanDerWaalsContact O-N 3.16Å; D150-T152 VanDerWaalsContact C-N 3.34Å; D150-T152 WeakPolarHBondContact O-CA 3.24Å; D150-T152 PolarHBondContact O-N 2.95Å; D150-T152 PolarHBondContact O-OG1 3.4Å
151E65.2Low71.3Confident200 Ų20099.3 Ų99.394%0.93550%0.502SS*.  trans-45.198.9172.7-72.9-173.2170.300110.1K153E151-K153 PolarHBondContact O-N 3.38Å
152T69.6Low72.9Confident53 Ų5398.9 Ų98.933%0.32550%0.498SS..  trans-79.198.9-171.6-66.30000107.6D150 V154D150-T152 VanDerWaalsContact C-N 3.34Å; D150-T152 WeakPolarHBondContact O-CA 3.24Å; D150-T152 PolarHBondContact O-N 2.95Å; D150-T152 PolarHBondContact O-OG1 3.4Å; T152-V154 HydrophobicContact CG2-CG2 4.23Å; T152-V154 PolarHBondContact O-N 2.92Å; T152-V154 VanDerWaalsContact O-N 3.12Å
153K86.1Confident74.6Confident181 Ų18196.2 Ų96.279%0.78749%0.485SS*.  trans-68.2108.8177.3-172.4176-178.9177.40110.2E151E151-K153 PolarHBondContact O-N 3.38Å
154V89.3Confident76.4Confident56 Ų5696.8 Ų96.834%0.33949%0.488SS..  trans-100.6127.3175.1178.90000109.4R56 T58 H91 T152R56-V154 HydrophobicContact CB-CG2 4.34Å; T58-V154 WeakPolarHBondContact OG1-CG1 3.29Å; H91-V154 WeakPolarHBondContact NE2-CG1 3.27Å; T152-V154 HydrophobicContact CG2-CG2 4.23Å; T152-V154 PolarHBondContact O-N 2.92Å; T152-V154 VanDerWaalsContact O-N 3.12Å
155I90.9Very high78.1Confident75 Ų7594.3 Ų94.339%0.38548%0.484SS..EExtended strand (participates in β ladder)trans-82.9121.3170.2-57-178.5000108.1T55 R56 A57 T58T55-I155 HydrophobicContact CG2-CD1 3.88Å; R56-I155 WeakPolarHBondContact O-CB 3.46Å; R56-I155 PolarHBondContact O-N 2.82Å; A57-I155 CarbonylContact C-O 3.49Å; A57-I155 WeakPolarHBondContact CA-O 3.42Å; T58-I155 PolarHBondContact N-O 3.23Å
156L89.4Confident80Confident111 Ų111100.9 Ų100.958%0.58150%0.496SS*.EExtended strand (participates in β ladder)trans-93.4115.3174.3-177.964.3000109.7T58T58-L156 HydrophobicContact CG2-CD1 4.02Å
157H85.8Confident81.9Confident47 Ų4799 Ų9922%0.21851%0.507CS..EExtended strand (participates in β ladder)trans-93108.7163.7-59.1-93.9000107.2T58 V59 T159 A162 V163T58-H157 PolarHBondContact O-N 3.11Å; V59-H157 WeakPolarHBondContact CA-O 3.31Å; V59-H157 HydrophobicContact CG1-CB 4.43Å; V59-H157 HydrophobicContact CG2-CB 4.05Å; H157-T159 PolarHBondContact O-N 3.43Å; H157-A162 HydrophobicContact CB-CB 4.33Å; H157-V163 HydrophobicContact CB-CG2 3.79Å
158N88.1Confident83.9Confident119 Ų11995.3 Ų95.364%0.63649%0.49SS*.SBendtrans-48.8-36.4-173.6-74.3-10.1000113.6R60R60-N158 VanDerWaalsContact CB-O 3.28Å; R60-N158 WeakPolarHBondContact CB-O 3.4Å
159T94.4Very high86.1Confident65 Ų6592.6 Ų92.640%0.39948%0.475SS..SBendtrans-145.5164.6176.963.40000110.8R60 H157 Q161 A162R60-T159 CarbonylContact O-C 3.37Å; R60-T159 WeakPolarHBondContact O-CA 3.46Å; H157-T159 PolarHBondContact O-N 3.43Å; T159-Q161 PolarHBondContact O-N 2.73Å; T159-Q161 PolarHBondContact OG1-N 2.96Å; T159-A162 WeakPolarHBondContact O-CB 3.5Å; T159-A162 PolarHBondContact O-N 3.41Å
160I93.4Very high87.9Confident6 Ų689.3 Ų89.33%0.03146%0.458CS..G310 helixtrans-55.8-30.6170.5-166.960.7000112.4T43 L46 I47 V59 R60 E61 A162 V163 L170T43-I160 HydrophobicContact CG2-CD1 4.04Å; L46-I160 HydrophobicContact CD2-CD1 4.17Å; L46-I160 HydrophobicContact CD2-CG1 4.43Å; I47-I160 HydrophobicContact CD1-CD1 4.14Å; I47-I160 HydrophobicContact CG1-CD1 3.84Å; V59-I160 VanDerWaalsContact CG1-CA 3.46Å; V59-I160 HydrophobicContact CG1-CB 4.1Å; V59-I160 HydrophobicContact CG1-CD1 3.84Å; R60-I160 PolarHBondContact O-N 2.87Å; E61-I160 HydrophobicContact CB-CB 4.45Å; E61-I160 WeakPolarHBondContact OE2-CG2 3.3Å; I160-A162 PolarHBondContact O-N 3.14Å; I160-V163 HydrophobicContact CD1-CB 4.47Å; I160-V163 WeakPolarHBondContact O-CB 3.45Å; I160-V163 PolarHBondContact O-N 3.23Å; I160-L170 HydrophobicContact CG1-CD1 4.4Å; I160-L170 HydrophobicContact CG1-CD2 4.35Å; I160-L170 HydrophobicContact CG2-CD2 3.89Å
161Q93.1Very high89.7Confident104 Ų10484.8 Ų84.849%0.48643%0.434SS..G310 helixtrans-63.4-29.3176.9-171.763.144.300112.1T159 V163 L164T159-Q161 PolarHBondContact O-N 2.73Å; T159-Q161 PolarHBondContact OG1-N 2.96Å; Q161-V163 PolarHBondContact O-N 2.98Å; Q161-L164 PolarHBondContact O-N 3.1Å
162A94.1Very high91.1Very high58 Ų5878.8 Ų78.848%0.47941%0.408SS..G310 helixtrans-75.2-8.5176.900000113.5H157 T159 I160H157-A162 HydrophobicContact CB-CB 4.33Å; T159-A162 WeakPolarHBondContact O-CB 3.5Å; T159-A162 PolarHBondContact O-N 3.41Å; I160-A162 PolarHBondContact O-N 3.14Å
163V94.3Very high92.4Very high13 Ų1378.1 Ų78.18%0.07940%0.402CS..G310 helixtrans-92.1-21.9174.4-178.40000111.2I47 R50 V59 H157 I160 Q161I47-V163 HydrophobicContact CG1-CG1 4.45Å; R50-V163 HydrophobicContact CB-CG1 3.53Å; R50-V163 HydrophobicContact CG-CG1 3.88Å; R50-V163 WeakPolarHBondContact CG-O 3.4Å; V59-V163 HydrophobicContact CB-CG2 4.36Å; V59-V163 HydrophobicContact CG1-CG2 3.68Å; V59-V163 HydrophobicContact CG2-CG2 3.72Å; H157-V163 HydrophobicContact CB-CG2 3.79Å; I160-V163 HydrophobicContact CD1-CB 4.47Å; I160-V163 WeakPolarHBondContact O-CB 3.45Å; I160-V163 PolarHBondContact O-N 3.23Å; Q161-V163 PolarHBondContact O-N 2.98Å
164L94.5Very high92.8Very high19 Ų1969.5 Ų69.510%0.09937%0.365CS..SBendtrans-75.6149-178.5-59.5-173.3000112L46 Q161 E168 L170 L173L46-L164 HydrophobicContact CD1-CD2 4.13Å; L46-L164 HydrophobicContact CD2-CD2 3.79Å; L46-L164 HydrophobicContact CG-CD2 4.39Å; Q161-L164 PolarHBondContact O-N 3.1Å; L164-E168 HydrophobicContact CB-CB 4.19Å; L164-L170 HydrophobicContact CD1-CB 4.11Å; L164-L173 HydrophobicContact CD2-CD1 3.56Å
165E92.2Very high93.2Very high116 Ų11670.2 Ų70.254%0.54236%0.364SS..PPolyproline II helixtrans-70159.7171.4-72.4173.2-170.700111.6R50 G167 E168R50-E165 IonicContact CZ-OE1 2.92Å; R50-E165 VanDerWaalsContact NH1-CG 3.32Å; R50-E165 IonicContact NH1-OE1 2.76Å; R50-E165 PolarHBondContact NH1-OE1 3.06Å; R50-E165 IonicContact NH1-OE2 3.52Å; R50-E165 PolarHBondContact NH1-OE2 3.09Å; E165-G167 PolarHBondContact O-N 2.92Å; E165-G167 VanDerWaalsContact O-N 3.1Å; E165-E168 HydrophobicContact CB-CG 3.96Å; E165-E168 PolarHBondContact N-OE2 3.27Å; E165-E168 WeakPolarHBondContact O-CB 3.28Å; E165-E168 PolarHBondContact O-N 2.99Å
166R92.3Very high93.4Very high257 Ų25776.3 Ų76.397%0.9738%0.383SS*.THydrogen-bonded Turntrans-60.1119.8177.9-176.1-178.4-67.6158.10.2109.9
167G93.4Very high93.6Very high74 Ų7472.1 Ų72.176%0.76336%0.363SS*.THydrogen-bonded Turntrans95.4-10.7179.300000114E165E165-G167 PolarHBondContact O-N 2.92Å; E165-G167 VanDerWaalsContact O-N 3.1Å
168E94.7Very high93.8Very high46 Ų4679.2 Ų79.222%0.21540%0.396CS..  trans-76.9144172.2-68.5-173.4143.400111.4R50 L164 E165R50-E168 IonicContact CZ-OE1 3.65Å; R50-E168 IonicContact CZ-OE2 2.73Å; R50-E168 IonicContact NH1-OE1 3.14Å; R50-E168 PolarHBondContact NH1-OE1 3.25Å; R50-E168 IonicContact NH1-OE2 2.66Å; R50-E168 PolarHBondContact NH1-OE2 2.75Å; R50-E168 VanDerWaalsContact NH2-CD 3.3Å; R50-E168 IonicContact NH2-OE1 3.98Å; R50-E168 PolarHBondContact NH2-OE1 2.84Å; R50-E168 IonicContact NH2-OE2 2.81Å; R50-E168 PolarHBondContact NH2-OE2 3.03Å; L164-E168 HydrophobicContact CB-CB 4.19Å; E165-E168 HydrophobicContact CB-CG 3.96Å; E165-E168 PolarHBondContact N-OE2 3.27Å; E165-E168 WeakPolarHBondContact O-CB 3.28Å; E165-E168 PolarHBondContact O-N 2.99Å
169K94.6Very high93.8Very high127 Ų12775.9 Ų75.955%0.55239%0.39SS*.  trans-120.9136.3172.8-61.5178.9-176.1170.90109.2D171 D172 L173K169-D171 PolarHBondContact O-N 3.4Å; K169-D172 HydrophobicContact CB-CB 4.4Å; K169-D172 PolarHBondContact O-N 3.41Å; K169-D172 VanDerWaalsContact O-N 3.09Å; K169-L173 PolarHBondContact O-N 2.99Å; K169-L173 VanDerWaalsContact O-N 3.17Å
170L93.8Very high93.8Very high6 Ų673.1 Ų73.13%0.03137%0.372CS..Hα-helixtrans-56.7-37.6176.1-171.660.6000111.9F42 L46 I160 L164 D172 L173 V174 Y188F42-L170 HydrophobicContact CE1-CD1 3.86Å; F42-L170 HydrophobicContact CZ-CD1 4.34Å; L46-L170 HydrophobicContact CD2-CD1 3.79Å; I160-L170 HydrophobicContact CG1-CD1 4.4Å; I160-L170 HydrophobicContact CG1-CD2 4.35Å; I160-L170 HydrophobicContact CG2-CD2 3.89Å; L164-L170 HydrophobicContact CD1-CB 4.11Å; L170-D172 VanDerWaalsContact C-N 3.35Å; L170-D172 PolarHBondContact O-N 3.37Å; L170-L173 PolarHBondContact O-N 3.03Å; L170-V174 HydrophobicContact CG-CG2 4.48Å; L170-V174 WeakPolarHBondContact O-CB 3.39Å; L170-V174 WeakPolarHBondContact O-CG2 3.14Å; L170-V174 PolarHBondContact O-N 3.5Å; L170-Y188 VanDerWaalsContact CD2-OH 3.31Å; L170-Y188 WeakPolarHBondContact CD2-OH 3.33Å; L170-Y188 WeakPolarHBondContact CG-OH 3.2Å
171D93.9Very high93.9Very high48 Ų4875.6 Ų75.626%0.25739%0.385SS..Hα-helixtrans-59.1-45.7177.5-66.2-38000111.1K169 L173 V174 E175 Y188 R192 R196K169-D171 PolarHBondContact O-N 3.4Å; D171-L173 VanDerWaalsContact C-N 3.35Å; D171-L173 PolarHBondContact O-N 3.33Å; D171-V174 PolarHBondContact O-N 3.44Å; D171-E175 WeakPolarHBondContact O-CG 3.33Å; D171-E175 PolarHBondContact O-N 2.94Å; D171-Y188 VanDerWaalsContact OD1-CE1 3.24Å; D171-Y188 WeakPolarHBondContact OD1-CE1 3.35Å; D171-Y188 PolarHBondContact OD1-OH 2.66Å; D171-R192 WeakPolarHBondContact OD1-CD 3.47Å; D171-R192 IonicContact OD1-CZ 3.77Å; D171-R192 IonicContact OD1-NE 2.67Å; D171-R192 IonicContact OD1-NH1 3.1Å; D171-R192 PolarHBondContact OD1-NH1 3.1Å; D171-R192 IonicContact OD2-CZ 3.71Å; D171-R192 IonicContact OD2-NH1 2.69Å; D171-R192 PolarHBondContact OD2-NH1 3.46Å; D171-R192 VanDerWaalsContact OD2-NH1 3.1Å; D171-R196 IonicContact OD2-NH2 3.92Å
172D95.9Very high94Very high74 Ų7474.4 Ų74.440%0.39639%0.393SS..Hα-helixtrans-67-37-179.4-61.7-25.9000111.7K169 L170 E175 R176K169-D172 HydrophobicContact CB-CB 4.4Å; K169-D172 PolarHBondContact O-N 3.41Å; K169-D172 VanDerWaalsContact O-N 3.09Å; L170-D172 VanDerWaalsContact C-N 3.35Å; L170-D172 PolarHBondContact O-N 3.37Å; D172-E175 PolarHBondContact O-N 3.28Å; D172-R176 WeakPolarHBondContact O-CG 3.26Å; D172-R176 PolarHBondContact O-N 2.91Å; D172-R176 VanDerWaalsContact O-N 3.1Å
173L95.8Very high94Very high38 Ų3877 Ų7720%0.19940%0.396CS..Hα-helixtrans-66.9-41.4175.4-64.8175000111.6F42 L46 L164 K169 L170 D171 R176 S177F42-L173 HydrophobicContact CE2-CB 4.49Å; F42-L173 HydrophobicContact CZ-CB 3.89Å; L46-L173 HydrophobicContact CD1-CD1 3.96Å; L46-L173 HydrophobicContact CD2-CD1 4.27Å; L164-L173 HydrophobicContact CD2-CD1 3.56Å; K169-L173 PolarHBondContact O-N 2.99Å; K169-L173 VanDerWaalsContact O-N 3.17Å; L170-L173 PolarHBondContact O-N 3.03Å; D171-L173 VanDerWaalsContact C-N 3.35Å; D171-L173 PolarHBondContact O-N 3.33Å; L173-R176 PolarHBondContact O-N 3.45Å; L173-S177 PolarHBondContact O-N 3.17Å
174V95.9Very high94Very high0 Ų076.6 Ų76.60%039%0.394CS..Hα-helixtrans-61.4-44.7174.4163.80000110.7F39 F42 L170 D171 R176 S177 L180 K185 Y188F39-V174 HydrophobicContact CE2-CG2 3.93Å; F42-V174 HydrophobicContact CD1-CG2 4.3Å; F42-V174 HydrophobicContact CE1-CG2 3.6Å; F42-V174 HydrophobicContact CZ-CG2 3.9Å; L170-V174 HydrophobicContact CG-CG2 4.48Å; L170-V174 WeakPolarHBondContact O-CB 3.39Å; L170-V174 WeakPolarHBondContact O-CG2 3.14Å; L170-V174 PolarHBondContact O-N 3.5Å; D171-V174 PolarHBondContact O-N 3.44Å; V174-R176 VanDerWaalsContact C-N 3.32Å; V174-R176 PolarHBondContact O-N 3.31Å; V174-S177 PolarHBondContact O-N 3.06Å; V174-L180 HydrophobicContact CB-CD1 4.17Å; V174-L180 HydrophobicContact CG1-CD1 3.72Å; V174-L180 HydrophobicContact CG2-CD1 4.12Å; V174-K185 HydrophobicContact CG1-CG 4.19Å; V174-K185 WeakPolarHBondContact O-CE 3.33Å; V174-Y188 HydrophobicContact CB-CD1 4.3Å; V174-Y188 HydrophobicContact CB-CE1 4.11Å; V174-Y188 HydrophobicContact CG1-CD1 3.68Å; V174-Y188 HydrophobicContact CG1-CE1 4Å; V174-Y188 HydrophobicContact CG1-CG 4.23Å; V174-Y188 HydrophobicContact CG2-CD1 4.26Å; V174-Y188 HydrophobicContact CG2-CE1 3.9Å; V174-Y188 HydrophobicContact CG2-CE2 4.4Å
175E95.8Very high94.1Very high72 Ų7277.4 Ų77.434%0.33640%0.396SS..Hα-helixtrans-62.6-37.7179.4-72.5-52.4131.800113D171 D172 K185 R189D171-E175 WeakPolarHBondContact O-CG 3.33Å; D171-E175 PolarHBondContact O-N 2.94Å; D172-E175 PolarHBondContact O-N 3.28Å; E175-K185 PolarHBondContact O-NZ 3.18Å; E175-R189 IonicContact OE1-CZ 3.8Å; E175-R189 IonicContact OE1-NE 3.13Å; E175-R189 PolarHBondContact OE1-NE 3.01Å; E175-R189 IonicContact OE1-NH2 3.56Å; E175-R189 PolarHBondContact OE1-NH2 2.95Å; E175-R189 IonicContact OE2-CZ 2.71Å; E175-R189 IonicContact OE2-NE 3.49Å; E175-R189 IonicContact OE2-NH2 3.88Å; E175-R189 PolarHBondContact OE2-NH2 2.67Å
176R95.1Very high94.1Very high203 Ų20376.1 Ų76.177%0.76639%0.391SS*.Hα-helixtrans-82.4-15.1179.2-66.5174-173.7-176.42.8113.9D172 L173 V174 E178D172-R176 WeakPolarHBondContact O-CG 3.26Å; D172-R176 PolarHBondContact O-N 2.91Å; D172-R176 VanDerWaalsContact O-N 3.1Å; L173-R176 PolarHBondContact O-N 3.45Å; V174-R176 VanDerWaalsContact C-N 3.32Å; V174-R176 PolarHBondContact O-N 3.31Å; R176-E178 PolarHBondContact O-N 2.95Å
177S94Very high94.1Very high23 Ų2366.4 Ų66.416%0.16136%0.356CS..  trans-65.2127.1-176.7-172.20000112.2L173 V174 G179 K185L173-S177 PolarHBondContact O-N 3.17Å; V174-S177 PolarHBondContact O-N 3.06Å; S177-G179 PolarHBondContact OG-N 3.26Å; S177-K185 WeakPolarHBondContact O-CE 3.44Å; S177-K185 PolarHBondContact O-NZ 3.32Å
178E91.3Very high94Very high196 Ų19663.5 Ų63.592%0.91632%0.322SS*.SBendtrans-80.4-23.4173.1-61.7-175.4161.600112.3R176 L180R176-E178 PolarHBondContact O-N 2.95Å; E178-L180 VanDerWaalsContact C-N 3.26Å; E178-L180 PolarHBondContact O-N 2.76Å
179G88.2Confident93.9Very high49 Ų4966.7 Ų66.751%0.50533%0.332SS..SBendtrans-75.6-12177.500000114.3S177S177-G179 PolarHBondContact OG-N 3.26Å
180L93.8Very high93.7Very high6 Ų666.1 Ų66.13%0.03133%0.331CS..SBendtrans-101.6120175.1-61.2-178.7000109.4Q38 F42 V174 E178 K185Q38-L180 HydrophobicContact CB-CD2 3.71Å; F42-L180 HydrophobicContact CB-CD1 4.46Å; F42-L180 HydrophobicContact CB-CD2 4.03Å; F42-L180 HydrophobicContact CB-CG 4.36Å; F42-L180 HydrophobicContact CD1-CD1 4.41Å; F42-L180 HydrophobicContact CD2-CD1 4.32Å; F42-L180 HydrophobicContact CG-CD1 4.13Å; F42-L180 HydrophobicContact CG-CG 4.46Å; V174-L180 HydrophobicContact CB-CD1 4.17Å; V174-L180 HydrophobicContact CG1-CD1 3.72Å; V174-L180 HydrophobicContact CG2-CD1 4.12Å; E178-L180 VanDerWaalsContact C-N 3.26Å; E178-L180 PolarHBondContact O-N 2.76Å; L180-K185 HydrophobicContact CB-CG 3.94Å; L180-K185 WeakPolarHBondContact O-CE 3.41Å
181N95Very high93.4Very high58 Ų5867.3 Ų67.331%0.3134%0.343SS..  trans-74.3168.4173.573.124.1000111.5Q38 Q183 S184 K185Q38-N181 PolarHBondContact NE2-ND2 3.43Å; Q38-N181 VanDerWaalsContact OE1-N 3.13Å; N181-Q183 PolarHBondContact O-N 2.73Å; N181-Q183 WeakPolarHBondContact OD1-CB 3.49Å; N181-Q183 PolarHBondContact OD1-N 3.47Å; N181-Q183 VanDerWaalsContact OD1-N 3.14Å; N181-S184 PolarHBondContact O-N 2.96Å; N181-S184 VanDerWaalsContact O-N 3.11Å; N181-S184 WeakPolarHBondContact OD1-CB 3.24Å; N181-S184 PolarHBondContact OD1-N 3.32Å; N181-S184 PolarHBondContact OD1-OG 3.03Å; N181-K185 PolarHBondContact O-N 3.04Å
182A94.7Very high93Very high79 Ų7968 Ų6865%0.65334%0.342SS*.Hα-helixtrans-57-37.5-178.400000112.9K185 M186A182-K185 PolarHBondContact O-N 3.29Å; A182-M186 WeakPolarHBondContact O-CB 2.95Å; A182-M186 VanDerWaalsContact O-CG 3.26Å; A182-M186 WeakPolarHBondContact O-CG 3.36Å; A182-M186 PolarHBondContact O-N 3.04Å
183Q93.9Very high92.5Very high114 Ų11473.5 Ų73.553%0.53336%0.357SS..Hα-helixtrans-66.2-40.6178.2-172.6179.615.600111.9N181 M186 F187N181-Q183 PolarHBondContact O-N 2.73Å; N181-Q183 WeakPolarHBondContact OD1-CB 3.49Å; N181-Q183 PolarHBondContact OD1-N 3.47Å; N181-Q183 VanDerWaalsContact OD1-N 3.14Å; Q183-M186 PolarHBondContact O-N 3.35Å; Q183-F187 WeakPolarHBondContact O-CB 3.36Å; Q183-F187 PolarHBondContact O-N 3.38Å
184S95.1Very high91.6Very high4 Ų478.3 Ų78.33%0.02838%0.38CS..Hα-helixtrans-66.3-42.9177.5-59.60000112S35 Q38 N181 F187 Y188S35-S184 VanDerWaalsContact CA-OG 3.28Å; S35-S184 WeakPolarHBondContact CA-OG 3.33Å; S35-S184 PolarHBondContact OG-OG 2.93Å; Q38-S184 VanDerWaalsContact OE1-CB 3.32Å; Q38-S184 PolarHBondContact OE1-OG 3.34Å; N181-S184 PolarHBondContact O-N 2.96Å; N181-S184 VanDerWaalsContact O-N 3.11Å; N181-S184 WeakPolarHBondContact OD1-CB 3.24Å; N181-S184 PolarHBondContact OD1-N 3.32Å; N181-S184 PolarHBondContact OD1-OG 3.03Å; S184-F187 PolarHBondContact O-N 3.49Å; S184-Y188 WeakPolarHBondContact O-CB 3.31Å; S184-Y188 PolarHBondContact O-N 3.25Å
185K95.8Very high90.4Very high36 Ų3682.6 Ų82.616%0.15740%0.403CS..Hα-helixtrans-61.6-45.9174.3-65.6-179-174.7-179.30111.2V174 E175 S177 L180 N181 A182 F187 Y188 R189V174-K185 HydrophobicContact CG1-CG 4.19Å; V174-K185 WeakPolarHBondContact O-CE 3.33Å; E175-K185 PolarHBondContact O-NZ 3.18Å; S177-K185 WeakPolarHBondContact O-CE 3.44Å; S177-K185 PolarHBondContact O-NZ 3.32Å; L180-K185 HydrophobicContact CB-CG 3.94Å; L180-K185 WeakPolarHBondContact O-CE 3.41Å; N181-K185 PolarHBondContact O-N 3.04Å; A182-K185 PolarHBondContact O-N 3.29Å; K185-F187 PolarHBondContact O-N 3.33Å; K185-Y188 PolarHBondContact O-N 3.44Å; K185-R189 WeakPolarHBondContact O-CG 3.24Å; K185-R189 PolarHBondContact O-N 3.42Å
186M93.9Very high88.7Confident89 Ų8986.4 Ų86.444%0.43841%0.414SS..Hα-helixtrans-62.1-44.3176.6-73-60.6-6800112.4A182 Q183 Y188 R189 Q190A182-M186 WeakPolarHBondContact O-CB 2.95Å; A182-M186 VanDerWaalsContact O-CG 3.26Å; A182-M186 WeakPolarHBondContact O-CG 3.36Å; A182-M186 PolarHBondContact O-N 3.04Å; Q183-M186 PolarHBondContact O-N 3.35Å; M186-Y188 PolarHBondContact O-N 3.15Å; M186-R189 PolarHBondContact O-N 3.46Å; M186-R189 PolarHBondContact SD-NH1 2.87Å; M186-R189 VanDerWaalsContact SD-NH1 3.37Å; M186-Q190 WeakPolarHBondContact O-CG 3.48Å; M186-Q190 PolarHBondContact O-N 3.28Å
187F91.6Very high86.3Confident52 Ų5281.3 Ų81.323%0.22841%0.409CS..Hα-helixtrans-58.6-46.9175.7171.7-110.9000111.6Q32 V36 Q183 S184 K185 R189 Q190 A191Q32-F187 HydrophobicContact CB-CE2 4.11Å; Q32-F187 HydrophobicContact CB-CZ 4.09Å; Q32-F187 HydrophobicContact CG-CD2 4.05Å; Q32-F187 HydrophobicContact CG-CE2 3.58Å; Q32-F187 HydrophobicContact CG-CZ 4.06Å; V36-F187 HydrophobicContact CG2-CE1 3.87Å; V36-F187 HydrophobicContact CG2-CZ 4.25Å; Q183-F187 WeakPolarHBondContact O-CB 3.36Å; Q183-F187 PolarHBondContact O-N 3.38Å; S184-F187 PolarHBondContact O-N 3.49Å; K185-F187 PolarHBondContact O-N 3.33Å; F187-R189 PolarHBondContact O-N 3.09Å; F187-Q190 PolarHBondContact O-N 3.36Å; F187-A191 PolarHBondContact O-N 2.97Å
188Y92Very high84Confident14 Ų1485.5 Ų85.56%0.05544%0.436CS..Hα-helixtrans-57.8-48.5176.9171.7-99.3000112.4F39 L170 D171 V174 S184 K185 M186 Q190 A191 R192F39-Y188 AromaticContact CD2-CD2 3.94Å; F39-Y188 HydrophobicContact CD2-CD2 3.94Å; F39-Y188 HydrophobicContact CD2-CE2 4.35Å; F39-Y188 HydrophobicContact CE1-CE2 4.47Å; F39-Y188 AromaticContact CE2-CD2 3.39Å; F39-Y188 HydrophobicContact CE2-CD2 3.39Å; F39-Y188 AromaticContact CE2-CE2 3.37Å; F39-Y188 HydrophobicContact CE2-CE2 3.37Å; F39-Y188 HydrophobicContact CE2-CG 4.28Å; F39-Y188 AromaticContact CZ-CD2 3.77Å; F39-Y188 HydrophobicContact CZ-CD2 3.77Å; F39-Y188 AromaticContact CZ-CE2 3.45Å; F39-Y188 HydrophobicContact CZ-CE2 3.45Å; F39-Y188 VanDerWaalsContact CZ-CE2 3.45Å; L170-Y188 VanDerWaalsContact CD2-OH 3.31Å; L170-Y188 WeakPolarHBondContact CD2-OH 3.33Å; L170-Y188 WeakPolarHBondContact CG-OH 3.2Å; D171-Y188 VanDerWaalsContact OD1-CE1 3.24Å; D171-Y188 WeakPolarHBondContact OD1-CE1 3.35Å; D171-Y188 PolarHBondContact OD1-OH 2.66Å; V174-Y188 HydrophobicContact CB-CD1 4.3Å; V174-Y188 HydrophobicContact CB-CE1 4.11Å; V174-Y188 HydrophobicContact CG1-CD1 3.68Å; V174-Y188 HydrophobicContact CG1-CE1 4Å; V174-Y188 HydrophobicContact CG1-CG 4.23Å; V174-Y188 HydrophobicContact CG2-CD1 4.26Å; V174-Y188 HydrophobicContact CG2-CE1 3.9Å; V174-Y188 HydrophobicContact CG2-CE2 4.4Å; S184-Y188 WeakPolarHBondContact O-CB 3.31Å; S184-Y188 PolarHBondContact O-N 3.25Å; K185-Y188 PolarHBondContact O-N 3.44Å; M186-Y188 PolarHBondContact O-N 3.15Å; Y188-Q190 VanDerWaalsContact C-N 3.31Å; Y188-Q190 PolarHBondContact O-N 2.99Å; Y188-A191 PolarHBondContact O-N 2.86Å; Y188-R192 HydrophobicContact CD2-CG 4.47Å; Y188-R192 HydrophobicContact CE1-CG 4.33Å; Y188-R192 HydrophobicContact CE2-CG 4.07Å; Y188-R192 PolarHBondContact O-N 2.81Å; Y188-R192 VanDerWaalsContact OH-CD 3.24Å; Y188-R192 WeakPolarHBondContact OH-CD 3.46Å; Y188-R192 PolarHBondContact OH-NH1 2.71Å
189R91.5Very high81.5Confident112 Ų11281.5 Ų81.542%0.42343%0.425SS..Hα-helixtrans-59.9-41.6177.7-67-178.1-150.6154.54.4112E175 K185 M186 F187 R193E175-R189 IonicContact OE1-CZ 3.8Å; E175-R189 IonicContact OE1-NE 3.13Å; E175-R189 PolarHBondContact OE1-NE 3.01Å; E175-R189 IonicContact OE1-NH2 3.56Å; E175-R189 PolarHBondContact OE1-NH2 2.95Å; E175-R189 IonicContact OE2-CZ 2.71Å; E175-R189 IonicContact OE2-NE 3.49Å; E175-R189 IonicContact OE2-NH2 3.88Å; E175-R189 PolarHBondContact OE2-NH2 2.67Å; K185-R189 WeakPolarHBondContact O-CG 3.24Å; K185-R189 PolarHBondContact O-N 3.42Å; M186-R189 PolarHBondContact O-N 3.46Å; M186-R189 PolarHBondContact SD-NH1 2.87Å; M186-R189 VanDerWaalsContact SD-NH1 3.37Å; F187-R189 PolarHBondContact O-N 3.09Å; R189-R193 WeakPolarHBondContact O-CB 3.38Å; R189-R193 PolarHBondContact O-N 3.24Å
190Q90.4Very high78.8Confident115 Ų11590.1 Ų90.154%0.53744%0.443SS..Hα-helixtrans-64.5-47.9178-72.3178.11700111.6M186 F187 Y188 R192 R193 M194M186-Q190 WeakPolarHBondContact O-CG 3.48Å; M186-Q190 PolarHBondContact O-N 3.28Å; F187-Q190 PolarHBondContact O-N 3.36Å; Y188-Q190 VanDerWaalsContact C-N 3.31Å; Y188-Q190 PolarHBondContact O-N 2.99Å; Q190-R192 VanDerWaalsContact C-N 3.34Å; Q190-R192 PolarHBondContact O-N 3.1Å; Q190-R193 PolarHBondContact O-N 3.14Å; Q190-R193 VanDerWaalsContact O-N 3.14Å; Q190-M194 WeakPolarHBondContact O-CG 3.29Å; Q190-M194 PolarHBondContact O-N 3.1Å
191A87.4Confident75.9Confident32 Ų32101.8 Ų101.826%0.26450%0.504SS..Hα-helixtrans-58.8-44.4177.300000111.7F187 Y188 R193 M194 N195F187-A191 PolarHBondContact O-N 2.97Å; Y188-A191 PolarHBondContact O-N 2.86Å; A191-R193 PolarHBondContact O-N 3.1Å; A191-M194 PolarHBondContact O-N 3.37Å; A191-N195 PolarHBondContact O-N 3.1Å; A191-N195 VanDerWaalsContact O-N 3.1Å
192R86.1Confident75Confident63 Ų63104 Ų10424%0.23851%0.514CS..Hα-helixtrans-64.3-38.4175.2-73.5-159.669.5166.99.1113.1D171 Y188 Q190 N195 R196D171-R192 WeakPolarHBondContact OD1-CD 3.47Å; D171-R192 IonicContact OD1-CZ 3.77Å; D171-R192 IonicContact OD1-NE 2.67Å; D171-R192 IonicContact OD1-NH1 3.1Å; D171-R192 PolarHBondContact OD1-NH1 3.1Å; D171-R192 IonicContact OD2-CZ 3.71Å; D171-R192 IonicContact OD2-NH1 2.69Å; D171-R192 PolarHBondContact OD2-NH1 3.46Å; D171-R192 VanDerWaalsContact OD2-NH1 3.1Å; Y188-R192 HydrophobicContact CD2-CG 4.47Å; Y188-R192 HydrophobicContact CE1-CG 4.33Å; Y188-R192 HydrophobicContact CE2-CG 4.07Å; Y188-R192 PolarHBondContact O-N 2.81Å; Y188-R192 VanDerWaalsContact OH-CD 3.24Å; Y188-R192 WeakPolarHBondContact OH-CD 3.46Å; Y188-R192 PolarHBondContact OH-NH1 2.71Å; Q190-R192 VanDerWaalsContact C-N 3.34Å; Q190-R192 PolarHBondContact O-N 3.1Å; R192-N195 PolarHBondContact O-N 3.36Å; R192-R196 VanDerWaalsContact O-CG 3.29Å; R192-R196 WeakPolarHBondContact O-CG 3.41Å; R192-R196 PolarHBondContact O-N 2.97Å; R192-R196 VanDerWaalsContact O-N 3.1Å
193R84.5Confident74Confident189 Ų189105.3 Ų105.371%0.71351%0.507SS*.Hα-helixtrans-64.3-42.6177.5-173.2178.2-179.4177.30.4111.2R189 Q190 A191 R196 C197R189-R193 WeakPolarHBondContact O-CB 3.38Å; R189-R193 PolarHBondContact O-N 3.24Å; Q190-R193 PolarHBondContact O-N 3.14Å; Q190-R193 VanDerWaalsContact O-N 3.14Å; A191-R193 PolarHBondContact O-N 3.1Å; R193-R196 PolarHBondContact O-N 3.44Å; R193-C197 PolarHBondContact O-N 3.41Å
194M78Confident72.8Confident139 Ų139104.8 Ų104.869%0.68551%0.505SS*.Hα-helixtrans-61.9-43.3176.7-69.1176.568.100111.7Q190 A191 R196 C197Q190-M194 WeakPolarHBondContact O-CG 3.29Å; Q190-M194 PolarHBondContact O-N 3.1Å; A191-M194 PolarHBondContact O-N 3.37Å; M194-R196 VanDerWaalsContact C-N 3.3Å; M194-R196 PolarHBondContact O-N 3.28Å; M194-C197 PolarHBondContact O-N 3.28Å
195N71.1Confident71.5Confident90 Ų90110.8 Ų110.848%0.48153%0.533SS..Hα-helixtrans-69.3-24.4178.5-68.4-11.8000113.6Q62 A191 R192Q62-N195 PolarHBondContact NE2-ND2 3.22Å; Q62-N195 PolarHBondContact OE1-ND2 3.48Å; Q62-N195 VanDerWaalsContact OE1-ND2 3.15Å; A191-N195 PolarHBondContact O-N 3.1Å; A191-N195 VanDerWaalsContact O-N 3.1Å; R192-N195 PolarHBondContact O-N 3.36Å
196R59.4Low70Confident151 Ų151115.4 Ų115.457%0.5756%0.557SS**Hα-helixtrans-74.1-23.9175.6-75.4173.4-173.9-98.17.4113.2D171 R192 R193 M194 C198 T199D171-R196 IonicContact OD2-NH2 3.92Å; R192-R196 VanDerWaalsContact O-CG 3.29Å; R192-R196 WeakPolarHBondContact O-CG 3.41Å; R192-R196 PolarHBondContact O-N 2.97Å; R192-R196 VanDerWaalsContact O-N 3.1Å; R193-R196 PolarHBondContact O-N 3.44Å; M194-R196 VanDerWaalsContact C-N 3.3Å; M194-R196 PolarHBondContact O-N 3.28Å; R196-C198 VanDerWaalsContact C-N 3.28Å; R196-C198 PolarHBondContact O-N 3.44Å; R196-T199 PolarHBondContact O-OG1 3.34Å
197C45.2Very low68.4Low97 Ų97117.2 Ų117.266%0.65557%0.565SS**THydrogen-bonded Turntrans-78.3-3.2-173.9-77.40000114.9R193 M194R193-C197 PolarHBondContact O-N 3.41Å; M194-C197 PolarHBondContact O-N 3.28Å
198C45.8Very low66.8Low110 Ų110121.9 Ų121.974%0.74359%0.589SS**THydrogen-bonded Turntrans-108.514.1-178.7-60.80000114.6R196 W200R196-C198 VanDerWaalsContact C-N 3.28Å; R196-C198 PolarHBondContact O-N 3.44Å; C198-W200 PolarHBondContact O-N 3.34Å
199T38.7Very low64.8Low112 Ų112130.2 Ų130.269%0.68763%0.63SS**  trans-85.720.2173.656.90000113.9R196R196-T199 PolarHBondContact O-OG1 3.34Å
200W30.4Very low62.6Low231 Ų231131.7 Ų131.788%0.87565%0.647SS**  trans-12690.3170.8-67.892.3000108.8C198C198-W200 PolarHBondContact O-N 3.34Å
201L34.4Very low60.1Low251 Ų251133.2 Ų133.2100%1.31466%0.657SS**  trans-172.10143-95.2170.9000108.5

Retrieved 201 of 201 residues in 301.1 ms (Link to these results)

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